USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 555 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 59 GLN : amide:sc= 0.225 K(o=0.84,f=-0.053) USER MOD Set 1.2: A 61 SER OG : rot 89:sc= 0.612 USER MOD Set 2.1: A 58 GLN : amide:sc= 0.199 X(o=0.33,f=-0.06) USER MOD Set 2.2: A 79 THR OG1 : rot 180:sc= 0.128 USER MOD Set 3.1: A 26 LYS NZ :NH3+ -146:sc= -0.389 (180deg=-2.23!) USER MOD Set 3.2: A 65 THR OG1 : rot 180:sc= 0.221 USER MOD Single : A 2 SER OG : rot 26:sc= 0.113 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.0016) USER MOD Single : A 4 MET CE :methyl -174:sc= 0 (180deg=-0.0337) USER MOD Single : A 7 SER OG : rot 75:sc= 0.979 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 73:sc= 0.779 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0.00267 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 137:sc= 1.74 USER MOD Single : A 57 ASN : amide:sc= 1 K(o=1,f=0) 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= -0.074 X(o=-0.074,f=-0.074) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 81 HIS : no HE2:sc= 0.368 K(o=0.37,f=-2.6!) USER MOD ----------------------------------------------------------------- ATOM 8 N SER A 2 17.991 16.130 -8.119 1.00 1.00 N ATOM 9 CA SER A 2 17.241 15.476 -7.030 1.00 1.00 C ATOM 10 C SER A 2 15.864 14.937 -7.434 1.00 1.00 C ATOM 11 O SER A 2 15.434 13.915 -6.903 1.00 1.00 O ATOM 12 CB SER A 2 17.072 16.437 -5.847 1.00 1.00 C ATOM 13 OG SER A 2 18.335 16.925 -5.416 1.00 1.00 O ATOM 0 HA SER A 2 17.843 14.611 -6.753 1.00 1.00 H new ATOM 0 HB2 SER A 2 16.433 17.271 -6.137 1.00 1.00 H new ATOM 0 HB3 SER A 2 16.573 15.925 -5.024 1.00 1.00 H new ATOM 0 HG SER A 2 18.967 16.903 -6.165 1.00 1.00 H new ATOM 19 N HIS A 3 15.190 15.555 -8.410 1.00 1.00 N ATOM 20 CA HIS A 3 13.905 15.075 -8.937 1.00 1.00 C ATOM 21 C HIS A 3 13.982 13.643 -9.504 1.00 1.00 C ATOM 22 O HIS A 3 13.039 12.865 -9.352 1.00 1.00 O ATOM 23 CB HIS A 3 13.396 16.066 -9.994 1.00 1.00 C ATOM 24 CG HIS A 3 11.988 15.773 -10.452 1.00 1.00 C ATOM 25 ND1 HIS A 3 11.618 14.985 -11.521 1.00 1.00 N ATOM 26 CD2 HIS A 3 10.834 16.220 -9.866 1.00 1.00 C ATOM 27 CE1 HIS A 3 10.277 14.951 -11.574 1.00 1.00 C ATOM 28 NE2 HIS A 3 9.749 15.698 -10.585 1.00 1.00 N ATOM 0 H HIS A 3 15.522 16.408 -8.860 1.00 1.00 H new ATOM 0 HA HIS A 3 13.200 15.023 -8.108 1.00 1.00 H new ATOM 0 HB2 HIS A 3 13.436 17.076 -9.586 1.00 1.00 H new ATOM 0 HB3 HIS A 3 14.064 16.044 -10.855 1.00 1.00 H new ATOM 0 HD2 HIS A 3 10.770 16.863 -9.000 1.00 1.00 H new ATOM 0 HE1 HIS A 3 9.703 14.402 -12.306 1.00 1.00 H new ATOM 0 HE2 HIS A 3 8.759 15.853 -10.397 1.00 1.00 H new ATOM 36 N MET A 4 15.112 13.256 -10.111 1.00 1.00 N ATOM 37 CA MET A 4 15.339 11.890 -10.605 1.00 1.00 C ATOM 38 C MET A 4 15.513 10.885 -9.456 1.00 1.00 C ATOM 39 O MET A 4 15.008 9.765 -9.531 1.00 1.00 O ATOM 40 CB MET A 4 16.578 11.848 -11.514 1.00 1.00 C ATOM 41 CG MET A 4 16.423 12.732 -12.759 1.00 1.00 C ATOM 42 SD MET A 4 17.822 12.668 -13.914 1.00 1.00 S ATOM 43 CE MET A 4 19.060 13.591 -12.962 1.00 1.00 C ATOM 0 H MET A 4 15.899 13.884 -10.274 1.00 1.00 H new ATOM 0 HA MET A 4 14.455 11.604 -11.174 1.00 1.00 H new ATOM 0 HB2 MET A 4 17.451 12.173 -10.948 1.00 1.00 H new ATOM 0 HB3 MET A 4 16.763 10.819 -11.823 1.00 1.00 H new ATOM 0 HG2 MET A 4 15.518 12.434 -13.289 1.00 1.00 H new ATOM 0 HG3 MET A 4 16.280 13.764 -12.439 1.00 1.00 H new ATOM 0 HE1 MET A 4 19.951 13.739 -13.572 1.00 1.00 H new ATOM 0 HE2 MET A 4 18.651 14.560 -12.676 1.00 1.00 H new ATOM 0 HE3 MET A 4 19.323 13.029 -12.066 1.00 1.00 H new ATOM 53 N LEU A 5 16.180 11.291 -8.370 1.00 1.00 N ATOM 54 CA LEU A 5 16.352 10.476 -7.160 1.00 1.00 C ATOM 55 C LEU A 5 15.016 10.288 -6.420 1.00 1.00 C ATOM 56 O LEU A 5 14.689 9.180 -5.998 1.00 1.00 O ATOM 57 CB LEU A 5 17.407 11.120 -6.239 1.00 1.00 C ATOM 58 CG LEU A 5 18.794 11.317 -6.886 1.00 1.00 C ATOM 59 CD1 LEU A 5 19.724 12.039 -5.912 1.00 1.00 C ATOM 60 CD2 LEU A 5 19.451 9.993 -7.283 1.00 1.00 C ATOM 0 H LEU A 5 16.622 12.208 -8.305 1.00 1.00 H new ATOM 0 HA LEU A 5 16.702 9.487 -7.456 1.00 1.00 H new ATOM 0 HB2 LEU A 5 17.036 12.089 -5.906 1.00 1.00 H new ATOM 0 HB3 LEU A 5 17.521 10.500 -5.350 1.00 1.00 H new ATOM 0 HG LEU A 5 18.636 11.906 -7.789 1.00 1.00 H new ATOM 0 HD11 LEU A 5 20.701 12.175 -6.375 1.00 1.00 H new ATOM 0 HD12 LEU A 5 19.303 13.013 -5.661 1.00 1.00 H new ATOM 0 HD13 LEU A 5 19.832 11.445 -5.004 1.00 1.00 H new ATOM 0 HD21 LEU A 5 20.424 10.190 -7.733 1.00 1.00 H new ATOM 0 HD22 LEU A 5 19.580 9.371 -6.397 1.00 1.00 H new ATOM 0 HD23 LEU A 5 18.817 9.474 -8.002 1.00 1.00 H new ATOM 72 N GLU A 6 14.208 11.346 -6.326 1.00 1.00 N ATOM 73 CA GLU A 6 12.840 11.299 -5.790 1.00 1.00 C ATOM 74 C GLU A 6 11.911 10.423 -6.646 1.00 1.00 C ATOM 75 O GLU A 6 11.139 9.632 -6.103 1.00 1.00 O ATOM 76 CB GLU A 6 12.276 12.726 -5.681 1.00 1.00 C ATOM 77 CG GLU A 6 12.957 13.544 -4.574 1.00 1.00 C ATOM 78 CD GLU A 6 12.500 15.007 -4.613 1.00 1.00 C ATOM 79 OE1 GLU A 6 11.483 15.325 -3.949 1.00 1.00 O ATOM 80 OE2 GLU A 6 13.162 15.815 -5.309 1.00 1.00 O ATOM 0 H GLU A 6 14.489 12.280 -6.626 1.00 1.00 H new ATOM 0 HA GLU A 6 12.887 10.845 -4.800 1.00 1.00 H new ATOM 0 HB2 GLU A 6 12.402 13.237 -6.636 1.00 1.00 H new ATOM 0 HB3 GLU A 6 11.205 12.676 -5.485 1.00 1.00 H new ATOM 0 HG2 GLU A 6 12.723 13.112 -3.601 1.00 1.00 H new ATOM 0 HG3 GLU A 6 14.039 13.494 -4.693 1.00 1.00 H new ATOM 87 N SER A 7 12.021 10.497 -7.978 1.00 1.00 N ATOM 88 CA SER A 7 11.291 9.610 -8.900 1.00 1.00 C ATOM 89 C SER A 7 11.710 8.143 -8.740 1.00 1.00 C ATOM 90 O SER A 7 10.858 7.255 -8.738 1.00 1.00 O ATOM 91 CB SER A 7 11.498 10.037 -10.360 1.00 1.00 C ATOM 92 OG SER A 7 11.012 11.351 -10.585 1.00 1.00 O ATOM 0 H SER A 7 12.619 11.174 -8.451 1.00 1.00 H new ATOM 0 HA SER A 7 10.236 9.699 -8.642 1.00 1.00 H new ATOM 0 HB2 SER A 7 12.558 9.991 -10.608 1.00 1.00 H new ATOM 0 HB3 SER A 7 10.986 9.339 -11.022 1.00 1.00 H new ATOM 0 HG SER A 7 11.634 12.001 -10.197 1.00 1.00 H new ATOM 98 N SER A 8 13.006 7.875 -8.546 1.00 1.00 N ATOM 99 CA SER A 8 13.535 6.529 -8.279 1.00 1.00 C ATOM 100 C SER A 8 13.025 5.965 -6.944 1.00 1.00 C ATOM 101 O SER A 8 12.595 4.811 -6.879 1.00 1.00 O ATOM 102 CB SER A 8 15.067 6.565 -8.305 1.00 1.00 C ATOM 103 OG SER A 8 15.600 5.253 -8.235 1.00 1.00 O ATOM 0 H SER A 8 13.728 8.595 -8.570 1.00 1.00 H new ATOM 0 HA SER A 8 13.175 5.861 -9.062 1.00 1.00 H new ATOM 0 HB2 SER A 8 15.409 7.054 -9.217 1.00 1.00 H new ATOM 0 HB3 SER A 8 15.436 7.158 -7.468 1.00 1.00 H new ATOM 0 HG SER A 8 16.579 5.296 -8.254 1.00 1.00 H new ATOM 109 N ALA A 9 12.985 6.787 -5.889 1.00 1.00 N ATOM 110 CA ALA A 9 12.397 6.423 -4.599 1.00 1.00 C ATOM 111 C ALA A 9 10.878 6.161 -4.690 1.00 1.00 C ATOM 112 O ALA A 9 10.378 5.208 -4.093 1.00 1.00 O ATOM 113 CB ALA A 9 12.716 7.530 -3.588 1.00 1.00 C ATOM 0 H ALA A 9 13.365 7.733 -5.909 1.00 1.00 H new ATOM 0 HA ALA A 9 12.836 5.482 -4.269 1.00 1.00 H new ATOM 0 HB1 ALA A 9 12.285 7.274 -2.620 1.00 1.00 H new ATOM 0 HB2 ALA A 9 13.797 7.631 -3.488 1.00 1.00 H new ATOM 0 HB3 ALA A 9 12.294 8.473 -3.936 1.00 1.00 H new ATOM 119 N GLU A 10 10.140 6.962 -5.466 1.00 1.00 N ATOM 120 CA GLU A 10 8.703 6.770 -5.700 1.00 1.00 C ATOM 121 C GLU A 10 8.406 5.477 -6.480 1.00 1.00 C ATOM 122 O GLU A 10 7.507 4.724 -6.104 1.00 1.00 O ATOM 123 CB GLU A 10 8.138 8.006 -6.418 1.00 1.00 C ATOM 124 CG GLU A 10 6.612 7.956 -6.576 1.00 1.00 C ATOM 125 CD GLU A 10 6.084 9.253 -7.201 1.00 1.00 C ATOM 126 OE1 GLU A 10 6.079 9.346 -8.452 1.00 1.00 O ATOM 127 OE2 GLU A 10 5.683 10.159 -6.430 1.00 1.00 O ATOM 0 H GLU A 10 10.526 7.770 -5.954 1.00 1.00 H new ATOM 0 HA GLU A 10 8.208 6.658 -4.735 1.00 1.00 H new ATOM 0 HB2 GLU A 10 8.412 8.901 -5.860 1.00 1.00 H new ATOM 0 HB3 GLU A 10 8.598 8.091 -7.402 1.00 1.00 H new ATOM 0 HG2 GLU A 10 6.335 7.107 -7.201 1.00 1.00 H new ATOM 0 HG3 GLU A 10 6.146 7.801 -5.603 1.00 1.00 H new ATOM 134 N GLU A 11 9.187 5.166 -7.518 1.00 1.00 N ATOM 135 CA GLU A 11 9.097 3.879 -8.219 1.00 1.00 C ATOM 136 C GLU A 11 9.478 2.698 -7.314 1.00 1.00 C ATOM 137 O GLU A 11 8.813 1.664 -7.351 1.00 1.00 O ATOM 138 CB GLU A 11 9.979 3.885 -9.481 1.00 1.00 C ATOM 139 CG GLU A 11 9.422 4.756 -10.617 1.00 1.00 C ATOM 140 CD GLU A 11 8.149 4.158 -11.232 1.00 1.00 C ATOM 141 OE1 GLU A 11 8.277 3.321 -12.158 1.00 1.00 O ATOM 142 OE2 GLU A 11 7.041 4.535 -10.779 1.00 1.00 O ATOM 0 H GLU A 11 9.896 5.794 -7.896 1.00 1.00 H new ATOM 0 HA GLU A 11 8.055 3.747 -8.511 1.00 1.00 H new ATOM 0 HB2 GLU A 11 10.975 4.241 -9.216 1.00 1.00 H new ATOM 0 HB3 GLU A 11 10.091 2.862 -9.840 1.00 1.00 H new ATOM 0 HG2 GLU A 11 9.206 5.754 -10.235 1.00 1.00 H new ATOM 0 HG3 GLU A 11 10.180 4.869 -11.392 1.00 1.00 H new ATOM 149 N SER A 12 10.479 2.859 -6.443 1.00 1.00 N ATOM 150 CA SER A 12 10.841 1.836 -5.449 1.00 1.00 C ATOM 151 C SER A 12 9.697 1.570 -4.465 1.00 1.00 C ATOM 152 O SER A 12 9.413 0.416 -4.146 1.00 1.00 O ATOM 153 CB SER A 12 12.107 2.224 -4.677 1.00 1.00 C ATOM 154 OG SER A 12 13.221 2.341 -5.548 1.00 1.00 O ATOM 0 H SER A 12 11.060 3.696 -6.404 1.00 1.00 H new ATOM 0 HA SER A 12 11.038 0.920 -6.005 1.00 1.00 H new ATOM 0 HB2 SER A 12 11.945 3.169 -4.159 1.00 1.00 H new ATOM 0 HB3 SER A 12 12.315 1.474 -3.914 1.00 1.00 H new ATOM 0 HG SER A 12 13.136 3.160 -6.079 1.00 1.00 H new ATOM 160 N LEU A 13 8.985 2.613 -4.027 1.00 1.00 N ATOM 161 CA LEU A 13 7.795 2.484 -3.181 1.00 1.00 C ATOM 162 C LEU A 13 6.637 1.814 -3.942 1.00 1.00 C ATOM 163 O LEU A 13 5.966 0.946 -3.385 1.00 1.00 O ATOM 164 CB LEU A 13 7.441 3.880 -2.623 1.00 1.00 C ATOM 165 CG LEU A 13 6.343 3.983 -1.542 1.00 1.00 C ATOM 166 CD1 LEU A 13 4.917 3.907 -2.094 1.00 1.00 C ATOM 167 CD2 LEU A 13 6.502 2.949 -0.426 1.00 1.00 C ATOM 0 H LEU A 13 9.221 3.579 -4.252 1.00 1.00 H new ATOM 0 HA LEU A 13 7.996 1.823 -2.338 1.00 1.00 H new ATOM 0 HB2 LEU A 13 8.353 4.314 -2.212 1.00 1.00 H new ATOM 0 HB3 LEU A 13 7.140 4.506 -3.463 1.00 1.00 H new ATOM 0 HG LEU A 13 6.489 4.980 -1.126 1.00 1.00 H new ATOM 0 HD11 LEU A 13 4.204 3.987 -1.273 1.00 1.00 H new ATOM 0 HD12 LEU A 13 4.755 4.725 -2.796 1.00 1.00 H new ATOM 0 HD13 LEU A 13 4.775 2.955 -2.606 1.00 1.00 H new ATOM 0 HD21 LEU A 13 5.700 3.073 0.302 1.00 1.00 H new ATOM 0 HD22 LEU A 13 6.455 1.946 -0.850 1.00 1.00 H new ATOM 0 HD23 LEU A 13 7.464 3.090 0.066 1.00 1.00 H new ATOM 179 N ALA A 14 6.443 2.126 -5.227 1.00 1.00 N ATOM 180 CA ALA A 14 5.477 1.424 -6.075 1.00 1.00 C ATOM 181 C ALA A 14 5.804 -0.079 -6.217 1.00 1.00 C ATOM 182 O ALA A 14 4.891 -0.905 -6.192 1.00 1.00 O ATOM 183 CB ALA A 14 5.387 2.126 -7.435 1.00 1.00 C ATOM 0 H ALA A 14 6.950 2.870 -5.707 1.00 1.00 H new ATOM 0 HA ALA A 14 4.500 1.467 -5.594 1.00 1.00 H new ATOM 0 HB1 ALA A 14 4.668 1.604 -8.067 1.00 1.00 H new ATOM 0 HB2 ALA A 14 5.063 3.157 -7.292 1.00 1.00 H new ATOM 0 HB3 ALA A 14 6.366 2.117 -7.915 1.00 1.00 H new ATOM 189 N TYR A 15 7.085 -0.462 -6.294 1.00 1.00 N ATOM 190 CA TYR A 15 7.505 -1.872 -6.284 1.00 1.00 C ATOM 191 C TYR A 15 7.269 -2.552 -4.921 1.00 1.00 C ATOM 192 O TYR A 15 6.812 -3.696 -4.879 1.00 1.00 O ATOM 193 CB TYR A 15 8.980 -2.005 -6.703 1.00 1.00 C ATOM 194 CG TYR A 15 9.370 -1.395 -8.045 1.00 1.00 C ATOM 195 CD1 TYR A 15 8.454 -1.335 -9.119 1.00 1.00 C ATOM 196 CD2 TYR A 15 10.672 -0.883 -8.216 1.00 1.00 C ATOM 197 CE1 TYR A 15 8.824 -0.733 -10.335 1.00 1.00 C ATOM 198 CE2 TYR A 15 11.047 -0.282 -9.434 1.00 1.00 C ATOM 199 CZ TYR A 15 10.121 -0.197 -10.494 1.00 1.00 C ATOM 200 OH TYR A 15 10.488 0.393 -11.666 1.00 1.00 O ATOM 0 H TYR A 15 7.861 0.196 -6.365 1.00 1.00 H new ATOM 0 HA TYR A 15 6.880 -2.390 -7.012 1.00 1.00 H new ATOM 0 HB2 TYR A 15 9.596 -1.546 -5.929 1.00 1.00 H new ATOM 0 HB3 TYR A 15 9.233 -3.065 -6.725 1.00 1.00 H new ATOM 0 HD1 TYR A 15 7.465 -1.753 -9.006 1.00 1.00 H new ATOM 0 HD2 TYR A 15 11.386 -0.952 -7.409 1.00 1.00 H new ATOM 0 HE1 TYR A 15 8.115 -0.681 -11.148 1.00 1.00 H new ATOM 0 HE2 TYR A 15 12.044 0.114 -9.556 1.00 1.00 H new ATOM 0 HH TYR A 15 11.414 0.707 -11.598 1.00 1.00 H new ATOM 210 N ARG A 16 7.511 -1.848 -3.802 1.00 1.00 N ATOM 211 CA ARG A 16 7.166 -2.317 -2.441 1.00 1.00 C ATOM 212 C ARG A 16 5.659 -2.521 -2.266 1.00 1.00 C ATOM 213 O ARG A 16 5.239 -3.504 -1.662 1.00 1.00 O ATOM 214 CB ARG A 16 7.683 -1.333 -1.376 1.00 1.00 C ATOM 215 CG ARG A 16 9.215 -1.320 -1.248 1.00 1.00 C ATOM 216 CD ARG A 16 9.711 -0.183 -0.344 1.00 1.00 C ATOM 217 NE ARG A 16 9.208 -0.304 1.037 1.00 1.00 N ATOM 218 CZ ARG A 16 9.262 0.630 1.972 1.00 1.00 C ATOM 219 NH1 ARG A 16 9.804 1.803 1.771 1.00 1.00 N ATOM 220 NH2 ARG A 16 8.761 0.402 3.156 1.00 1.00 N ATOM 0 H ARG A 16 7.955 -0.930 -3.812 1.00 1.00 H new ATOM 0 HA ARG A 16 7.654 -3.283 -2.308 1.00 1.00 H new ATOM 0 HB2 ARG A 16 7.338 -0.329 -1.622 1.00 1.00 H new ATOM 0 HB3 ARG A 16 7.248 -1.592 -0.411 1.00 1.00 H new ATOM 0 HG2 ARG A 16 9.553 -2.275 -0.846 1.00 1.00 H new ATOM 0 HG3 ARG A 16 9.660 -1.216 -2.238 1.00 1.00 H new ATOM 0 HD2 ARG A 16 10.801 -0.181 -0.332 1.00 1.00 H new ATOM 0 HD3 ARG A 16 9.395 0.773 -0.761 1.00 1.00 H new ATOM 0 HE ARG A 16 8.778 -1.192 1.296 1.00 1.00 H new ATOM 0 HH11 ARG A 16 10.208 2.029 0.862 1.00 1.00 H new ATOM 0 HH12 ARG A 16 9.822 2.492 2.523 1.00 1.00 H new ATOM 0 HH21 ARG A 16 8.327 -0.498 3.361 1.00 1.00 H new ATOM 0 HH22 ARG A 16 8.804 1.124 3.875 1.00 1.00 H new ATOM 234 N GLU A 17 4.843 -1.626 -2.817 1.00 1.00 N ATOM 235 CA GLU A 17 3.386 -1.768 -2.855 1.00 1.00 C ATOM 236 C GLU A 17 2.942 -2.933 -3.750 1.00 1.00 C ATOM 237 O GLU A 17 2.083 -3.706 -3.346 1.00 1.00 O ATOM 238 CB GLU A 17 2.759 -0.435 -3.286 1.00 1.00 C ATOM 239 CG GLU A 17 1.238 -0.412 -3.102 1.00 1.00 C ATOM 240 CD GLU A 17 0.670 0.962 -3.463 1.00 1.00 C ATOM 241 OE1 GLU A 17 0.628 1.289 -4.672 1.00 1.00 O ATOM 242 OE2 GLU A 17 0.279 1.698 -2.528 1.00 1.00 O ATOM 0 H GLU A 17 5.178 -0.769 -3.257 1.00 1.00 H new ATOM 0 HA GLU A 17 3.031 -2.014 -1.854 1.00 1.00 H new ATOM 0 HB2 GLU A 17 3.203 0.375 -2.708 1.00 1.00 H new ATOM 0 HB3 GLU A 17 2.997 -0.247 -4.333 1.00 1.00 H new ATOM 0 HG2 GLU A 17 0.779 -1.177 -3.729 1.00 1.00 H new ATOM 0 HG3 GLU A 17 0.988 -0.654 -2.069 1.00 1.00 H new ATOM 249 N ASP A 18 3.553 -3.132 -4.920 1.00 1.00 N ATOM 250 CA ASP A 18 3.258 -4.278 -5.790 1.00 1.00 C ATOM 251 C ASP A 18 3.623 -5.636 -5.157 1.00 1.00 C ATOM 252 O ASP A 18 2.992 -6.641 -5.474 1.00 1.00 O ATOM 253 CB ASP A 18 3.954 -4.090 -7.143 1.00 1.00 C ATOM 254 CG ASP A 18 3.458 -5.117 -8.165 1.00 1.00 C ATOM 255 OD1 ASP A 18 2.239 -5.090 -8.458 1.00 1.00 O ATOM 256 OD2 ASP A 18 4.291 -5.913 -8.659 1.00 1.00 O ATOM 0 H ASP A 18 4.266 -2.505 -5.293 1.00 1.00 H new ATOM 0 HA ASP A 18 2.178 -4.305 -5.936 1.00 1.00 H new ATOM 0 HB2 ASP A 18 3.767 -3.083 -7.515 1.00 1.00 H new ATOM 0 HB3 ASP A 18 5.032 -4.188 -7.018 1.00 1.00 H new ATOM 273 N LEU A 20 2.792 -6.339 -2.124 1.00 1.00 N ATOM 274 CA LEU A 20 1.540 -6.588 -1.394 1.00 1.00 C ATOM 275 C LEU A 20 0.490 -7.339 -2.240 1.00 1.00 C ATOM 276 O LEU A 20 -0.466 -7.876 -1.684 1.00 1.00 O ATOM 277 CB LEU A 20 0.945 -5.277 -0.841 1.00 1.00 C ATOM 278 CG LEU A 20 1.916 -4.341 -0.101 1.00 1.00 C ATOM 279 CD1 LEU A 20 1.173 -3.086 0.359 1.00 1.00 C ATOM 280 CD2 LEU A 20 2.583 -4.997 1.109 1.00 1.00 C ATOM 0 HA LEU A 20 1.802 -7.237 -0.558 1.00 1.00 H new ATOM 0 HB2 LEU A 20 0.505 -4.725 -1.672 1.00 1.00 H new ATOM 0 HB3 LEU A 20 0.132 -5.531 -0.161 1.00 1.00 H new ATOM 0 HG LEU A 20 2.706 -4.090 -0.809 1.00 1.00 H new ATOM 0 HD11 LEU A 20 1.864 -2.425 0.883 1.00 1.00 H new ATOM 0 HD12 LEU A 20 0.762 -2.568 -0.508 1.00 1.00 H new ATOM 0 HD13 LEU A 20 0.362 -3.369 1.030 1.00 1.00 H new ATOM 0 HD21 LEU A 20 3.255 -4.283 1.585 1.00 1.00 H new ATOM 0 HD22 LEU A 20 1.819 -5.308 1.822 1.00 1.00 H new ATOM 0 HD23 LEU A 20 3.151 -5.868 0.783 1.00 1.00 H new ATOM 292 N ARG A 21 0.673 -7.438 -3.567 1.00 1.00 N ATOM 293 CA ARG A 21 -0.160 -8.273 -4.461 1.00 1.00 C ATOM 294 C ARG A 21 -0.105 -9.771 -4.106 1.00 1.00 C ATOM 295 O ARG A 21 -1.015 -10.531 -4.431 1.00 1.00 O ATOM 296 CB ARG A 21 0.246 -8.032 -5.928 1.00 1.00 C ATOM 297 CG ARG A 21 -0.878 -8.386 -6.914 1.00 1.00 C ATOM 298 CD ARG A 21 -0.397 -8.465 -8.365 1.00 1.00 C ATOM 299 NE ARG A 21 -0.004 -7.147 -8.895 1.00 1.00 N ATOM 300 CZ ARG A 21 -0.303 -6.654 -10.085 1.00 1.00 C ATOM 301 NH1 ARG A 21 -0.988 -7.316 -10.979 1.00 1.00 N ATOM 302 NH2 ARG A 21 0.085 -5.453 -10.401 1.00 1.00 N ATOM 0 H ARG A 21 1.412 -6.936 -4.059 1.00 1.00 H new ATOM 0 HA ARG A 21 -1.197 -7.970 -4.320 1.00 1.00 H new ATOM 0 HB2 ARG A 21 0.523 -6.986 -6.058 1.00 1.00 H new ATOM 0 HB3 ARG A 21 1.129 -8.627 -6.160 1.00 1.00 H new ATOM 0 HG2 ARG A 21 -1.316 -9.343 -6.629 1.00 1.00 H new ATOM 0 HG3 ARG A 21 -1.668 -7.639 -6.839 1.00 1.00 H new ATOM 0 HD2 ARG A 21 0.451 -9.147 -8.428 1.00 1.00 H new ATOM 0 HD3 ARG A 21 -1.189 -8.883 -8.986 1.00 1.00 H new ATOM 0 HE ARG A 21 0.556 -6.555 -8.281 1.00 1.00 H new ATOM 0 HH11 ARG A 21 -1.319 -8.259 -10.773 1.00 1.00 H new ATOM 0 HH12 ARG A 21 -1.192 -6.890 -11.883 1.00 1.00 H new ATOM 0 HH21 ARG A 21 0.617 -4.896 -9.732 1.00 1.00 H new ATOM 0 HH22 ARG A 21 -0.143 -5.068 -11.318 1.00 1.00 H new ATOM 316 N GLY A 22 0.934 -10.205 -3.388 1.00 1.00 N ATOM 317 CA GLY A 22 1.054 -11.560 -2.840 1.00 1.00 C ATOM 318 C GLY A 22 0.481 -11.721 -1.425 1.00 1.00 C ATOM 319 O GLY A 22 0.807 -12.705 -0.757 1.00 1.00 O ATOM 0 H GLY A 22 1.733 -9.612 -3.166 1.00 1.00 H new ATOM 0 HA2 GLY A 22 0.545 -12.256 -3.507 1.00 1.00 H new ATOM 0 HA3 GLY A 22 2.107 -11.843 -2.828 1.00 1.00 H new ATOM 323 N ARG A 23 -0.326 -10.761 -0.941 1.00 1.00 N ATOM 324 CA ARG A 23 -0.780 -10.668 0.459 1.00 1.00 C ATOM 325 C ARG A 23 -2.293 -10.451 0.600 1.00 1.00 C ATOM 326 O ARG A 23 -2.990 -10.016 -0.319 1.00 1.00 O ATOM 327 CB ARG A 23 -0.017 -9.556 1.197 1.00 1.00 C ATOM 328 CG ARG A 23 1.510 -9.677 1.086 1.00 1.00 C ATOM 329 CD ARG A 23 2.149 -8.691 2.060 1.00 1.00 C ATOM 330 NE ARG A 23 3.586 -8.507 1.796 1.00 1.00 N ATOM 331 CZ ARG A 23 4.455 -7.913 2.598 1.00 1.00 C ATOM 332 NH1 ARG A 23 4.134 -7.471 3.787 1.00 1.00 N ATOM 333 NH2 ARG A 23 5.687 -7.739 2.212 1.00 1.00 N ATOM 0 H ARG A 23 -0.690 -10.009 -1.526 1.00 1.00 H new ATOM 0 HA ARG A 23 -0.561 -11.634 0.914 1.00 1.00 H new ATOM 0 HB2 ARG A 23 -0.326 -8.590 0.799 1.00 1.00 H new ATOM 0 HB3 ARG A 23 -0.298 -9.572 2.250 1.00 1.00 H new ATOM 0 HG2 ARG A 23 1.826 -10.694 1.316 1.00 1.00 H new ATOM 0 HG3 ARG A 23 1.833 -9.465 0.067 1.00 1.00 H new ATOM 0 HD2 ARG A 23 1.641 -7.729 1.988 1.00 1.00 H new ATOM 0 HD3 ARG A 23 2.011 -9.048 3.080 1.00 1.00 H new ATOM 0 HE ARG A 23 3.945 -8.871 0.913 1.00 1.00 H new ATOM 0 HH11 ARG A 23 3.180 -7.578 4.130 1.00 1.00 H new ATOM 0 HH12 ARG A 23 4.838 -7.019 4.370 1.00 1.00 H new ATOM 0 HH21 ARG A 23 5.983 -8.061 1.290 1.00 1.00 H new ATOM 0 HH22 ARG A 23 6.356 -7.281 2.831 1.00 1.00 H new ATOM 347 N LEU A 24 -2.772 -10.750 1.803 1.00 1.00 N ATOM 348 CA LEU A 24 -4.167 -10.696 2.243 1.00 1.00 C ATOM 349 C LEU A 24 -4.391 -9.411 3.064 1.00 1.00 C ATOM 350 O LEU A 24 -3.482 -8.922 3.739 1.00 1.00 O ATOM 351 CB LEU A 24 -4.372 -11.970 3.096 1.00 1.00 C ATOM 352 CG LEU A 24 -5.822 -12.419 3.330 1.00 1.00 C ATOM 353 CD1 LEU A 24 -6.421 -13.036 2.067 1.00 1.00 C ATOM 354 CD2 LEU A 24 -5.850 -13.508 4.406 1.00 1.00 C ATOM 0 H LEU A 24 -2.153 -11.059 2.552 1.00 1.00 H new ATOM 0 HA LEU A 24 -4.878 -10.668 1.418 1.00 1.00 H new ATOM 0 HB2 LEU A 24 -3.835 -12.789 2.618 1.00 1.00 H new ATOM 0 HB3 LEU A 24 -3.905 -11.807 4.068 1.00 1.00 H new ATOM 0 HG LEU A 24 -6.393 -11.539 3.626 1.00 1.00 H new ATOM 0 HD11 LEU A 24 -7.448 -13.344 2.264 1.00 1.00 H new ATOM 0 HD12 LEU A 24 -6.411 -12.300 1.263 1.00 1.00 H new ATOM 0 HD13 LEU A 24 -5.832 -13.904 1.772 1.00 1.00 H new ATOM 0 HD21 LEU A 24 -6.879 -13.828 4.573 1.00 1.00 H new ATOM 0 HD22 LEU A 24 -5.254 -14.360 4.077 1.00 1.00 H new ATOM 0 HD23 LEU A 24 -5.437 -13.113 5.334 1.00 1.00 H new ATOM 366 N GLY A 25 -5.606 -8.874 3.027 1.00 1.00 N ATOM 367 CA GLY A 25 -6.004 -7.608 3.645 1.00 1.00 C ATOM 368 C GLY A 25 -7.395 -7.613 4.290 1.00 1.00 C ATOM 369 O GLY A 25 -8.067 -8.643 4.376 1.00 1.00 O ATOM 0 H GLY A 25 -6.379 -9.330 2.543 1.00 1.00 H new ATOM 0 HA2 GLY A 25 -5.268 -7.344 4.405 1.00 1.00 H new ATOM 0 HA3 GLY A 25 -5.974 -6.825 2.887 1.00 1.00 H new ATOM 373 N LYS A 26 -7.818 -6.431 4.749 1.00 1.00 N ATOM 374 CA LYS A 26 -8.993 -6.158 5.583 1.00 1.00 C ATOM 375 C LYS A 26 -9.611 -4.823 5.173 1.00 1.00 C ATOM 376 O LYS A 26 -8.947 -3.789 5.250 1.00 1.00 O ATOM 377 CB LYS A 26 -8.504 -6.132 7.041 1.00 1.00 C ATOM 378 CG LYS A 26 -9.551 -5.765 8.106 1.00 1.00 C ATOM 379 CD LYS A 26 -10.825 -6.622 8.154 1.00 1.00 C ATOM 380 CE LYS A 26 -10.614 -8.094 8.541 1.00 1.00 C ATOM 381 NZ LYS A 26 -10.050 -8.897 7.438 1.00 1.00 N ATOM 0 H LYS A 26 -7.309 -5.575 4.530 1.00 1.00 H new ATOM 0 HA LYS A 26 -9.764 -6.919 5.463 1.00 1.00 H new ATOM 0 HB2 LYS A 26 -8.100 -7.115 7.284 1.00 1.00 H new ATOM 0 HB3 LYS A 26 -7.680 -5.422 7.113 1.00 1.00 H new ATOM 0 HG2 LYS A 26 -9.072 -5.815 9.084 1.00 1.00 H new ATOM 0 HG3 LYS A 26 -9.846 -4.728 7.948 1.00 1.00 H new ATOM 0 HD2 LYS A 26 -11.518 -6.173 8.865 1.00 1.00 H new ATOM 0 HD3 LYS A 26 -11.304 -6.586 7.176 1.00 1.00 H new ATOM 0 HE2 LYS A 26 -9.947 -8.147 9.402 1.00 1.00 H new ATOM 0 HE3 LYS A 26 -11.567 -8.525 8.849 1.00 1.00 H new ATOM 0 HZ1 LYS A 26 -10.433 -9.863 7.481 1.00 1.00 H new ATOM 0 HZ2 LYS A 26 -10.305 -8.464 6.528 1.00 1.00 H new ATOM 0 HZ3 LYS A 26 -9.014 -8.931 7.527 1.00 1.00 H new ATOM 395 N VAL A 27 -10.850 -4.848 4.686 1.00 1.00 N ATOM 396 CA VAL A 27 -11.578 -3.649 4.215 1.00 1.00 C ATOM 397 C VAL A 27 -12.076 -2.802 5.392 1.00 1.00 C ATOM 398 O VAL A 27 -12.650 -3.327 6.348 1.00 1.00 O ATOM 399 CB VAL A 27 -12.724 -4.031 3.247 1.00 1.00 C ATOM 400 CG1 VAL A 27 -13.549 -2.832 2.771 1.00 1.00 C ATOM 401 CG2 VAL A 27 -12.098 -4.685 2.017 1.00 1.00 C ATOM 0 H VAL A 27 -11.392 -5.708 4.602 1.00 1.00 H new ATOM 0 HA VAL A 27 -10.878 -3.032 3.652 1.00 1.00 H new ATOM 0 HB VAL A 27 -13.398 -4.694 3.788 1.00 1.00 H new ATOM 0 HG11 VAL A 27 -14.333 -3.175 2.096 1.00 1.00 H new ATOM 0 HG12 VAL A 27 -14.001 -2.337 3.631 1.00 1.00 H new ATOM 0 HG13 VAL A 27 -12.901 -2.130 2.247 1.00 1.00 H new ATOM 0 HG21 VAL A 27 -12.883 -4.966 1.315 1.00 1.00 H new ATOM 0 HG22 VAL A 27 -11.417 -3.982 1.538 1.00 1.00 H new ATOM 0 HG23 VAL A 27 -11.546 -5.575 2.319 1.00 1.00 H new ATOM 411 N ILE A 28 -11.874 -1.484 5.302 1.00 1.00 N ATOM 412 CA ILE A 28 -12.143 -0.485 6.364 1.00 1.00 C ATOM 413 C ILE A 28 -13.067 0.662 5.905 1.00 1.00 C ATOM 414 O ILE A 28 -13.581 1.418 6.729 1.00 1.00 O ATOM 415 CB ILE A 28 -10.821 0.065 6.946 1.00 1.00 C ATOM 416 CG1 ILE A 28 -10.080 0.944 5.905 1.00 1.00 C ATOM 417 CG2 ILE A 28 -9.998 -1.093 7.543 1.00 1.00 C ATOM 418 CD1 ILE A 28 -8.554 0.862 5.880 1.00 1.00 C ATOM 0 H ILE A 28 -11.503 -1.056 4.454 1.00 1.00 H new ATOM 0 HA ILE A 28 -12.684 -1.011 7.151 1.00 1.00 H new ATOM 0 HB ILE A 28 -11.018 0.744 7.776 1.00 1.00 H new ATOM 0 HG12 ILE A 28 -10.449 0.677 4.914 1.00 1.00 H new ATOM 0 HG13 ILE A 28 -10.359 1.983 6.080 1.00 1.00 H new ATOM 0 HG21 ILE A 28 -9.066 -0.704 7.953 1.00 1.00 H new ATOM 0 HG22 ILE A 28 -10.570 -1.575 8.336 1.00 1.00 H new ATOM 0 HG23 ILE A 28 -9.775 -1.821 6.763 1.00 1.00 H new ATOM 0 HD11 ILE A 28 -8.167 1.526 5.107 1.00 1.00 H new ATOM 0 HD12 ILE A 28 -8.157 1.164 6.849 1.00 1.00 H new ATOM 0 HD13 ILE A 28 -8.248 -0.162 5.666 1.00 1.00 H new ATOM 430 N THR A 29 -13.320 0.756 4.598 1.00 1.00 N ATOM 431 CA THR A 29 -14.333 1.617 3.965 1.00 1.00 C ATOM 432 C THR A 29 -14.890 0.812 2.794 1.00 1.00 C ATOM 433 O THR A 29 -14.109 0.291 1.999 1.00 1.00 O ATOM 434 CB THR A 29 -13.747 2.951 3.466 1.00 1.00 C ATOM 435 OG1 THR A 29 -13.110 3.656 4.509 1.00 1.00 O ATOM 436 CG2 THR A 29 -14.806 3.875 2.864 1.00 1.00 C ATOM 0 H THR A 29 -12.800 0.207 3.914 1.00 1.00 H new ATOM 0 HA THR A 29 -15.103 1.886 4.688 1.00 1.00 H new ATOM 0 HB THR A 29 -13.029 2.676 2.693 1.00 1.00 H new ATOM 0 HG1 THR A 29 -12.747 4.497 4.161 1.00 1.00 H new ATOM 0 HG21 THR A 29 -14.335 4.799 2.530 1.00 1.00 H new ATOM 0 HG22 THR A 29 -15.279 3.381 2.015 1.00 1.00 H new ATOM 0 HG23 THR A 29 -15.560 4.104 3.617 1.00 1.00 H new ATOM 444 N ALA A 30 -16.214 0.659 2.715 1.00 1.00 N ATOM 445 CA ALA A 30 -16.878 -0.256 1.786 1.00 1.00 C ATOM 446 C ALA A 30 -16.502 -0.012 0.312 1.00 1.00 C ATOM 447 O ALA A 30 -16.419 1.129 -0.146 1.00 1.00 O ATOM 448 CB ALA A 30 -18.392 -0.156 1.999 1.00 1.00 C ATOM 0 H ALA A 30 -16.865 1.177 3.305 1.00 1.00 H new ATOM 0 HA ALA A 30 -16.532 -1.267 2.004 1.00 1.00 H new ATOM 0 HB1 ALA A 30 -18.901 -0.833 1.313 1.00 1.00 H new ATOM 0 HB2 ALA A 30 -18.634 -0.430 3.026 1.00 1.00 H new ATOM 0 HB3 ALA A 30 -18.719 0.866 1.810 1.00 1.00 H new ATOM 454 N VAL A 31 -16.328 -1.104 -0.435 1.00 1.00 N ATOM 455 CA VAL A 31 -15.876 -1.130 -1.834 1.00 1.00 C ATOM 456 C VAL A 31 -16.973 -1.786 -2.688 1.00 1.00 C ATOM 457 O VAL A 31 -17.047 -3.014 -2.734 1.00 1.00 O ATOM 458 CB VAL A 31 -14.541 -1.895 -1.981 1.00 1.00 C ATOM 459 CG1 VAL A 31 -13.995 -1.737 -3.399 1.00 1.00 C ATOM 460 CG2 VAL A 31 -13.432 -1.451 -1.021 1.00 1.00 C ATOM 0 H VAL A 31 -16.506 -2.039 -0.067 1.00 1.00 H new ATOM 0 HA VAL A 31 -15.698 -0.110 -2.174 1.00 1.00 H new ATOM 0 HB VAL A 31 -14.794 -2.928 -1.741 1.00 1.00 H new ATOM 0 HG11 VAL A 31 -13.054 -2.280 -3.489 1.00 1.00 H new ATOM 0 HG12 VAL A 31 -14.715 -2.137 -4.113 1.00 1.00 H new ATOM 0 HG13 VAL A 31 -13.825 -0.681 -3.608 1.00 1.00 H new ATOM 0 HG21 VAL A 31 -12.536 -2.045 -1.200 1.00 1.00 H new ATOM 0 HG22 VAL A 31 -13.208 -0.397 -1.186 1.00 1.00 H new ATOM 0 HG23 VAL A 31 -13.762 -1.594 0.008 1.00 1.00 H new ATOM 470 N PRO A 32 -17.883 -1.023 -3.319 1.00 1.00 N ATOM 471 CA PRO A 32 -18.975 -1.603 -4.100 1.00 1.00 C ATOM 472 C PRO A 32 -18.508 -2.161 -5.455 1.00 1.00 C ATOM 473 O PRO A 32 -17.362 -1.972 -5.871 1.00 1.00 O ATOM 474 CB PRO A 32 -20.007 -0.481 -4.238 1.00 1.00 C ATOM 475 CG PRO A 32 -19.135 0.762 -4.260 1.00 1.00 C ATOM 476 CD PRO A 32 -17.996 0.427 -3.295 1.00 1.00 C ATOM 0 HA PRO A 32 -19.402 -2.474 -3.603 1.00 1.00 H new ATOM 0 HB2 PRO A 32 -20.596 -0.580 -5.150 1.00 1.00 H new ATOM 0 HB3 PRO A 32 -20.709 -0.470 -3.405 1.00 1.00 H new ATOM 0 HG2 PRO A 32 -18.761 0.971 -5.262 1.00 1.00 H new ATOM 0 HG3 PRO A 32 -19.688 1.644 -3.936 1.00 1.00 H new ATOM 0 HD2 PRO A 32 -17.065 0.899 -3.608 1.00 1.00 H new ATOM 0 HD3 PRO A 32 -18.214 0.787 -2.290 1.00 1.00 H new ATOM 484 N VAL A 33 -19.430 -2.829 -6.160 1.00 1.00 N ATOM 485 CA VAL A 33 -19.180 -3.595 -7.401 1.00 1.00 C ATOM 486 C VAL A 33 -18.526 -2.802 -8.543 1.00 1.00 C ATOM 487 O VAL A 33 -17.969 -3.396 -9.461 1.00 1.00 O ATOM 488 CB VAL A 33 -20.483 -4.242 -7.935 1.00 1.00 C ATOM 489 CG1 VAL A 33 -21.234 -5.040 -6.863 1.00 1.00 C ATOM 490 CG2 VAL A 33 -21.459 -3.224 -8.539 1.00 1.00 C ATOM 0 H VAL A 33 -20.409 -2.856 -5.876 1.00 1.00 H new ATOM 0 HA VAL A 33 -18.461 -4.354 -7.094 1.00 1.00 H new ATOM 0 HB VAL A 33 -20.139 -4.917 -8.718 1.00 1.00 H new ATOM 0 HG11 VAL A 33 -22.138 -5.470 -7.295 1.00 1.00 H new ATOM 0 HG12 VAL A 33 -20.594 -5.840 -6.490 1.00 1.00 H new ATOM 0 HG13 VAL A 33 -21.505 -4.379 -6.040 1.00 1.00 H new ATOM 0 HG21 VAL A 33 -22.350 -3.741 -8.894 1.00 1.00 H new ATOM 0 HG22 VAL A 33 -21.741 -2.495 -7.779 1.00 1.00 H new ATOM 0 HG23 VAL A 33 -20.980 -2.712 -9.373 1.00 1.00 H new ATOM 500 N ASP A 34 -18.611 -1.472 -8.513 1.00 1.00 N ATOM 501 CA ASP A 34 -18.125 -0.548 -9.547 1.00 1.00 C ATOM 502 C ASP A 34 -17.539 0.750 -8.944 1.00 1.00 C ATOM 503 O ASP A 34 -17.533 1.798 -9.597 1.00 1.00 O ATOM 504 CB ASP A 34 -19.264 -0.265 -10.550 1.00 1.00 C ATOM 505 CG ASP A 34 -20.368 0.663 -10.015 1.00 1.00 C ATOM 506 OD1 ASP A 34 -20.748 0.530 -8.826 1.00 1.00 O ATOM 507 OD2 ASP A 34 -20.857 1.503 -10.809 1.00 1.00 O ATOM 0 H ASP A 34 -19.042 -0.982 -7.729 1.00 1.00 H new ATOM 0 HA ASP A 34 -17.299 -1.020 -10.079 1.00 1.00 H new ATOM 0 HB2 ASP A 34 -18.837 0.179 -11.449 1.00 1.00 H new ATOM 0 HB3 ASP A 34 -19.715 -1.212 -10.846 1.00 1.00 H new ATOM 512 N GLY A 35 -17.088 0.696 -7.684 1.00 1.00 N ATOM 513 CA GLY A 35 -16.688 1.873 -6.895 1.00 1.00 C ATOM 514 C GLY A 35 -15.425 1.676 -6.049 1.00 1.00 C ATOM 515 O GLY A 35 -14.664 0.725 -6.241 1.00 1.00 O ATOM 0 H GLY A 35 -16.988 -0.181 -7.174 1.00 1.00 H new ATOM 0 HA2 GLY A 35 -16.528 2.711 -7.573 1.00 1.00 H new ATOM 0 HA3 GLY A 35 -17.511 2.149 -6.236 1.00 1.00 H new ATOM 519 N PHE A 36 -15.219 2.595 -5.099 1.00 1.00 N ATOM 520 CA PHE A 36 -13.987 2.733 -4.316 1.00 1.00 C ATOM 521 C PHE A 36 -14.273 2.774 -2.807 1.00 1.00 C ATOM 522 O PHE A 36 -15.269 3.346 -2.358 1.00 1.00 O ATOM 523 CB PHE A 36 -13.226 4.020 -4.696 1.00 1.00 C ATOM 524 CG PHE A 36 -12.912 4.238 -6.167 1.00 1.00 C ATOM 525 CD1 PHE A 36 -13.916 4.681 -7.051 1.00 1.00 C ATOM 526 CD2 PHE A 36 -11.600 4.057 -6.645 1.00 1.00 C ATOM 527 CE1 PHE A 36 -13.622 4.896 -8.410 1.00 1.00 C ATOM 528 CE2 PHE A 36 -11.302 4.281 -8.003 1.00 1.00 C ATOM 529 CZ PHE A 36 -12.316 4.693 -8.887 1.00 1.00 C ATOM 0 H PHE A 36 -15.927 3.284 -4.847 1.00 1.00 H new ATOM 0 HA PHE A 36 -13.379 1.858 -4.546 1.00 1.00 H new ATOM 0 HB2 PHE A 36 -13.809 4.872 -4.346 1.00 1.00 H new ATOM 0 HB3 PHE A 36 -12.285 4.030 -4.146 1.00 1.00 H new ATOM 0 HD1 PHE A 36 -14.916 4.856 -6.683 1.00 1.00 H new ATOM 0 HD2 PHE A 36 -10.819 3.745 -5.967 1.00 1.00 H new ATOM 0 HE1 PHE A 36 -14.400 5.217 -9.087 1.00 1.00 H new ATOM 0 HE2 PHE A 36 -10.295 4.137 -8.366 1.00 1.00 H new ATOM 0 HZ PHE A 36 -12.091 4.853 -9.931 1.00 1.00 H new ATOM 539 N GLY A 37 -13.351 2.204 -2.034 1.00 1.00 N ATOM 540 CA GLY A 37 -13.289 2.247 -0.571 1.00 1.00 C ATOM 541 C GLY A 37 -11.834 2.147 -0.107 1.00 1.00 C ATOM 542 O GLY A 37 -10.944 2.691 -0.762 1.00 1.00 O ATOM 0 H GLY A 37 -12.581 1.668 -2.434 1.00 1.00 H new ATOM 0 HA2 GLY A 37 -13.733 3.174 -0.207 1.00 1.00 H new ATOM 0 HA3 GLY A 37 -13.871 1.427 -0.150 1.00 1.00 H new ATOM 546 N GLU A 38 -11.568 1.465 1.008 1.00 1.00 N ATOM 547 CA GLU A 38 -10.230 1.379 1.620 1.00 1.00 C ATOM 548 C GLU A 38 -9.951 0.011 2.259 1.00 1.00 C ATOM 549 O GLU A 38 -10.862 -0.682 2.716 1.00 1.00 O ATOM 550 CB GLU A 38 -10.055 2.464 2.699 1.00 1.00 C ATOM 551 CG GLU A 38 -9.871 3.886 2.156 1.00 1.00 C ATOM 552 CD GLU A 38 -9.746 4.915 3.289 1.00 1.00 C ATOM 553 OE1 GLU A 38 -8.854 4.740 4.154 1.00 1.00 O ATOM 554 OE2 GLU A 38 -10.522 5.900 3.278 1.00 1.00 O ATOM 0 H GLU A 38 -12.281 0.948 1.522 1.00 1.00 H new ATOM 0 HA GLU A 38 -9.520 1.528 0.807 1.00 1.00 H new ATOM 0 HB2 GLU A 38 -10.927 2.450 3.353 1.00 1.00 H new ATOM 0 HB3 GLU A 38 -9.191 2.210 3.313 1.00 1.00 H new ATOM 0 HG2 GLU A 38 -8.979 3.924 1.530 1.00 1.00 H new ATOM 0 HG3 GLU A 38 -10.718 4.145 1.521 1.00 1.00 H new ATOM 561 N VAL A 39 -8.667 -0.339 2.349 1.00 1.00 N ATOM 562 CA VAL A 39 -8.138 -1.624 2.829 1.00 1.00 C ATOM 563 C VAL A 39 -6.815 -1.442 3.590 1.00 1.00 C ATOM 564 O VAL A 39 -6.096 -0.464 3.385 1.00 1.00 O ATOM 565 CB VAL A 39 -7.959 -2.567 1.614 1.00 1.00 C ATOM 566 CG1 VAL A 39 -6.759 -2.189 0.734 1.00 1.00 C ATOM 567 CG2 VAL A 39 -7.835 -4.040 2.003 1.00 1.00 C ATOM 0 H VAL A 39 -7.922 0.301 2.074 1.00 1.00 H new ATOM 0 HA VAL A 39 -8.844 -2.063 3.534 1.00 1.00 H new ATOM 0 HB VAL A 39 -8.877 -2.434 1.041 1.00 1.00 H new ATOM 0 HG11 VAL A 39 -6.686 -2.886 -0.101 1.00 1.00 H new ATOM 0 HG12 VAL A 39 -6.893 -1.177 0.351 1.00 1.00 H new ATOM 0 HG13 VAL A 39 -5.845 -2.235 1.326 1.00 1.00 H new ATOM 0 HG21 VAL A 39 -7.712 -4.645 1.104 1.00 1.00 H new ATOM 0 HG22 VAL A 39 -6.969 -4.173 2.651 1.00 1.00 H new ATOM 0 HG23 VAL A 39 -8.735 -4.354 2.531 1.00 1.00 H new ATOM 577 N VAL A 40 -6.473 -2.412 4.438 1.00 1.00 N ATOM 578 CA VAL A 40 -5.164 -2.571 5.110 1.00 1.00 C ATOM 579 C VAL A 40 -4.674 -4.001 4.881 1.00 1.00 C ATOM 580 O VAL A 40 -5.493 -4.915 4.866 1.00 1.00 O ATOM 581 CB VAL A 40 -5.231 -2.353 6.642 1.00 1.00 C ATOM 582 CG1 VAL A 40 -3.870 -1.902 7.179 1.00 1.00 C ATOM 583 CG2 VAL A 40 -6.263 -1.323 7.087 1.00 1.00 C ATOM 0 H VAL A 40 -7.128 -3.151 4.694 1.00 1.00 H new ATOM 0 HA VAL A 40 -4.499 -1.818 4.688 1.00 1.00 H new ATOM 0 HB VAL A 40 -5.529 -3.321 7.046 1.00 1.00 H new ATOM 0 HG11 VAL A 40 -3.935 -1.753 8.257 1.00 1.00 H new ATOM 0 HG12 VAL A 40 -3.122 -2.665 6.962 1.00 1.00 H new ATOM 0 HG13 VAL A 40 -3.582 -0.966 6.701 1.00 1.00 H new ATOM 0 HG21 VAL A 40 -6.243 -1.233 8.173 1.00 1.00 H new ATOM 0 HG22 VAL A 40 -6.030 -0.357 6.639 1.00 1.00 H new ATOM 0 HG23 VAL A 40 -7.256 -1.641 6.768 1.00 1.00 H new ATOM 593 N ILE A 41 -3.369 -4.232 4.734 1.00 1.00 N ATOM 594 CA ILE A 41 -2.810 -5.598 4.731 1.00 1.00 C ATOM 595 C ILE A 41 -2.865 -6.181 6.153 1.00 1.00 C ATOM 596 O ILE A 41 -2.749 -5.451 7.136 1.00 1.00 O ATOM 597 CB ILE A 41 -1.386 -5.583 4.137 1.00 1.00 C ATOM 598 CG1 ILE A 41 -1.405 -5.143 2.659 1.00 1.00 C ATOM 599 CG2 ILE A 41 -0.634 -6.922 4.258 1.00 1.00 C ATOM 600 CD1 ILE A 41 -2.257 -5.978 1.695 1.00 1.00 C ATOM 0 H ILE A 41 -2.674 -3.495 4.615 1.00 1.00 H new ATOM 0 HA ILE A 41 -3.407 -6.251 4.095 1.00 1.00 H new ATOM 0 HB ILE A 41 -0.840 -4.858 4.741 1.00 1.00 H new ATOM 0 HG12 ILE A 41 -1.757 -4.112 2.617 1.00 1.00 H new ATOM 0 HG13 ILE A 41 -0.379 -5.144 2.292 1.00 1.00 H new ATOM 0 HG21 ILE A 41 0.358 -6.824 3.816 1.00 1.00 H new ATOM 0 HG22 ILE A 41 -0.537 -7.191 5.310 1.00 1.00 H new ATOM 0 HG23 ILE A 41 -1.189 -7.700 3.734 1.00 1.00 H new ATOM 0 HD11 ILE A 41 -2.183 -5.562 0.690 1.00 1.00 H new ATOM 0 HD12 ILE A 41 -1.897 -7.007 1.689 1.00 1.00 H new ATOM 0 HD13 ILE A 41 -3.297 -5.959 2.019 1.00 1.00 H new ATOM 612 N GLU A 42 -3.043 -7.500 6.264 1.00 1.00 N ATOM 613 CA GLU A 42 -3.337 -8.229 7.516 1.00 1.00 C ATOM 614 C GLU A 42 -2.316 -8.068 8.665 1.00 1.00 C ATOM 615 O GLU A 42 -2.647 -8.356 9.816 1.00 1.00 O ATOM 616 CB GLU A 42 -3.548 -9.723 7.198 1.00 1.00 C ATOM 617 CG GLU A 42 -4.931 -10.026 6.603 1.00 1.00 C ATOM 618 CD GLU A 42 -6.019 -10.107 7.680 1.00 1.00 C ATOM 619 OE1 GLU A 42 -6.574 -9.043 8.035 1.00 1.00 O ATOM 620 OE2 GLU A 42 -6.296 -11.236 8.153 1.00 1.00 O ATOM 0 H GLU A 42 -2.985 -8.120 5.456 1.00 1.00 H new ATOM 0 HA GLU A 42 -4.243 -7.763 7.904 1.00 1.00 H new ATOM 0 HB2 GLU A 42 -2.779 -10.051 6.499 1.00 1.00 H new ATOM 0 HB3 GLU A 42 -3.417 -10.304 8.111 1.00 1.00 H new ATOM 0 HG2 GLU A 42 -5.192 -9.251 5.882 1.00 1.00 H new ATOM 0 HG3 GLU A 42 -4.891 -10.969 6.057 1.00 1.00 H new ATOM 681 N ILE A 48 0.051 -0.314 6.547 1.00 1.00 N ATOM 682 CA ILE A 48 -0.502 1.021 6.245 1.00 1.00 C ATOM 683 C ILE A 48 -1.737 0.873 5.337 1.00 1.00 C ATOM 684 O ILE A 48 -1.744 0.054 4.415 1.00 1.00 O ATOM 685 CB ILE A 48 0.601 1.909 5.604 1.00 1.00 C ATOM 686 CG1 ILE A 48 1.779 2.119 6.589 1.00 1.00 C ATOM 687 CG2 ILE A 48 0.037 3.267 5.145 1.00 1.00 C ATOM 688 CD1 ILE A 48 2.971 2.900 6.016 1.00 1.00 C ATOM 0 HA ILE A 48 -0.826 1.514 7.161 1.00 1.00 H new ATOM 0 HB ILE A 48 0.972 1.385 4.723 1.00 1.00 H new ATOM 0 HG12 ILE A 48 1.408 2.645 7.469 1.00 1.00 H new ATOM 0 HG13 ILE A 48 2.130 1.144 6.925 1.00 1.00 H new ATOM 0 HG21 ILE A 48 0.836 3.862 4.702 1.00 1.00 H new ATOM 0 HG22 ILE A 48 -0.747 3.104 4.406 1.00 1.00 H new ATOM 0 HG23 ILE A 48 -0.377 3.797 6.002 1.00 1.00 H new ATOM 0 HD11 ILE A 48 3.744 2.996 6.779 1.00 1.00 H new ATOM 0 HD12 ILE A 48 3.375 2.367 5.155 1.00 1.00 H new ATOM 0 HD13 ILE A 48 2.641 3.892 5.707 1.00 1.00 H new ATOM 700 N SER A 49 -2.791 1.652 5.605 1.00 1.00 N ATOM 701 CA SER A 49 -4.032 1.673 4.814 1.00 1.00 C ATOM 702 C SER A 49 -3.859 2.311 3.426 1.00 1.00 C ATOM 703 O SER A 49 -3.035 3.208 3.230 1.00 1.00 O ATOM 704 CB SER A 49 -5.142 2.412 5.578 1.00 1.00 C ATOM 705 OG SER A 49 -4.699 3.680 6.042 1.00 1.00 O ATOM 0 H SER A 49 -2.808 2.299 6.393 1.00 1.00 H new ATOM 0 HA SER A 49 -4.308 0.630 4.658 1.00 1.00 H new ATOM 0 HB2 SER A 49 -6.007 2.543 4.928 1.00 1.00 H new ATOM 0 HB3 SER A 49 -5.468 1.807 6.424 1.00 1.00 H new ATOM 0 HG SER A 49 -5.428 4.126 6.522 1.00 1.00 H new ATOM 711 N LYS A 50 -4.674 1.867 2.460 1.00 1.00 N ATOM 712 CA LYS A 50 -4.692 2.319 1.055 1.00 1.00 C ATOM 713 C LYS A 50 -6.125 2.348 0.511 1.00 1.00 C ATOM 714 O LYS A 50 -7.003 1.658 1.036 1.00 1.00 O ATOM 715 CB LYS A 50 -3.861 1.350 0.186 1.00 1.00 C ATOM 716 CG LYS A 50 -2.377 1.185 0.563 1.00 1.00 C ATOM 717 CD LYS A 50 -1.543 2.444 0.293 1.00 1.00 C ATOM 718 CE LYS A 50 -0.087 2.191 0.691 1.00 1.00 C ATOM 719 NZ LYS A 50 0.763 3.356 0.371 1.00 1.00 N ATOM 0 H LYS A 50 -5.374 1.148 2.642 1.00 1.00 H new ATOM 0 HA LYS A 50 -4.270 3.323 1.017 1.00 1.00 H new ATOM 0 HB2 LYS A 50 -4.333 0.368 0.224 1.00 1.00 H new ATOM 0 HB3 LYS A 50 -3.914 1.689 -0.848 1.00 1.00 H new ATOM 0 HG2 LYS A 50 -2.303 0.928 1.620 1.00 1.00 H new ATOM 0 HG3 LYS A 50 -1.956 0.351 0.002 1.00 1.00 H new ATOM 0 HD2 LYS A 50 -1.601 2.711 -0.762 1.00 1.00 H new ATOM 0 HD3 LYS A 50 -1.944 3.286 0.858 1.00 1.00 H new ATOM 0 HE2 LYS A 50 -0.031 1.978 1.759 1.00 1.00 H new ATOM 0 HE3 LYS A 50 0.288 1.310 0.170 1.00 1.00 H new ATOM 0 HZ1 LYS A 50 1.745 3.157 0.651 1.00 1.00 H new ATOM 0 HZ2 LYS A 50 0.726 3.542 -0.651 1.00 1.00 H new ATOM 0 HZ3 LYS A 50 0.418 4.190 0.888 1.00 1.00 H new ATOM 733 N SER A 51 -6.365 3.105 -0.561 1.00 1.00 N ATOM 734 CA SER A 51 -7.632 3.045 -1.309 1.00 1.00 C ATOM 735 C SER A 51 -7.756 1.707 -2.046 1.00 1.00 C ATOM 736 O SER A 51 -6.751 1.080 -2.394 1.00 1.00 O ATOM 737 CB SER A 51 -7.746 4.205 -2.305 1.00 1.00 C ATOM 738 OG SER A 51 -7.661 5.449 -1.625 1.00 1.00 O ATOM 0 H SER A 51 -5.694 3.775 -0.937 1.00 1.00 H new ATOM 0 HA SER A 51 -8.446 3.132 -0.590 1.00 1.00 H new ATOM 0 HB2 SER A 51 -6.952 4.134 -3.048 1.00 1.00 H new ATOM 0 HB3 SER A 51 -8.692 4.140 -2.842 1.00 1.00 H new ATOM 0 HG SER A 51 -7.733 6.181 -2.272 1.00 1.00 H new ATOM 744 N ALA A 52 -8.992 1.272 -2.293 1.00 1.00 N ATOM 745 CA ALA A 52 -9.283 -0.047 -2.857 1.00 1.00 C ATOM 746 C ALA A 52 -10.473 -0.050 -3.833 1.00 1.00 C ATOM 747 O ALA A 52 -11.430 0.705 -3.648 1.00 1.00 O ATOM 748 CB ALA A 52 -9.524 -1.025 -1.698 1.00 1.00 C ATOM 0 H ALA A 52 -9.826 1.829 -2.106 1.00 1.00 H new ATOM 0 HA ALA A 52 -8.423 -0.355 -3.452 1.00 1.00 H new ATOM 0 HB1 ALA A 52 -9.743 -2.015 -2.097 1.00 1.00 H new ATOM 0 HB2 ALA A 52 -8.633 -1.075 -1.073 1.00 1.00 H new ATOM 0 HB3 ALA A 52 -10.368 -0.680 -1.100 1.00 1.00 H new ATOM 754 N VAL A 53 -10.428 -0.937 -4.834 1.00 1.00 N ATOM 755 CA VAL A 53 -11.497 -1.206 -5.821 1.00 1.00 C ATOM 756 C VAL A 53 -11.804 -2.706 -5.930 1.00 1.00 C ATOM 757 O VAL A 53 -10.940 -3.544 -5.662 1.00 1.00 O ATOM 758 CB VAL A 53 -11.164 -0.636 -7.216 1.00 1.00 C ATOM 759 CG1 VAL A 53 -11.065 0.888 -7.175 1.00 1.00 C ATOM 760 CG2 VAL A 53 -9.872 -1.193 -7.829 1.00 1.00 C ATOM 0 H VAL A 53 -9.606 -1.520 -4.991 1.00 1.00 H new ATOM 0 HA VAL A 53 -12.385 -0.694 -5.451 1.00 1.00 H new ATOM 0 HB VAL A 53 -11.991 -0.953 -7.852 1.00 1.00 H new ATOM 0 HG11 VAL A 53 -10.829 1.264 -8.171 1.00 1.00 H new ATOM 0 HG12 VAL A 53 -12.016 1.306 -6.845 1.00 1.00 H new ATOM 0 HG13 VAL A 53 -10.279 1.183 -6.480 1.00 1.00 H new ATOM 0 HG21 VAL A 53 -9.710 -0.742 -8.808 1.00 1.00 H new ATOM 0 HG22 VAL A 53 -9.030 -0.959 -7.178 1.00 1.00 H new ATOM 0 HG23 VAL A 53 -9.957 -2.274 -7.937 1.00 1.00 H new ATOM 770 N SER A 54 -13.030 -3.060 -6.330 1.00 1.00 N ATOM 771 CA SER A 54 -13.475 -4.451 -6.459 1.00 1.00 C ATOM 772 C SER A 54 -13.097 -5.035 -7.824 1.00 1.00 C ATOM 773 O SER A 54 -13.670 -4.669 -8.853 1.00 1.00 O ATOM 774 CB SER A 54 -14.983 -4.524 -6.239 1.00 1.00 C ATOM 775 OG SER A 54 -15.372 -5.877 -6.154 1.00 1.00 O ATOM 0 H SER A 54 -13.749 -2.380 -6.576 1.00 1.00 H new ATOM 0 HA SER A 54 -12.970 -5.049 -5.700 1.00 1.00 H new ATOM 0 HB2 SER A 54 -15.256 -3.996 -5.325 1.00 1.00 H new ATOM 0 HB3 SER A 54 -15.507 -4.033 -7.059 1.00 1.00 H new ATOM 0 HG SER A 54 -16.017 -5.987 -5.424 1.00 1.00 H new ATOM 781 N PHE A 55 -12.108 -5.933 -7.849 1.00 1.00 N ATOM 782 CA PHE A 55 -11.578 -6.527 -9.085 1.00 1.00 C ATOM 783 C PHE A 55 -12.530 -7.534 -9.757 1.00 1.00 C ATOM 784 O PHE A 55 -12.421 -7.797 -10.955 1.00 1.00 O ATOM 785 CB PHE A 55 -10.242 -7.205 -8.775 1.00 1.00 C ATOM 786 CG PHE A 55 -9.406 -7.540 -10.002 1.00 1.00 C ATOM 787 CD1 PHE A 55 -8.777 -6.511 -10.732 1.00 1.00 C ATOM 788 CD2 PHE A 55 -9.247 -8.877 -10.417 1.00 1.00 C ATOM 789 CE1 PHE A 55 -7.978 -6.817 -11.848 1.00 1.00 C ATOM 790 CE2 PHE A 55 -8.445 -9.184 -11.532 1.00 1.00 C ATOM 791 CZ PHE A 55 -7.807 -8.155 -12.244 1.00 1.00 C ATOM 0 H PHE A 55 -11.647 -6.273 -7.005 1.00 1.00 H new ATOM 0 HA PHE A 55 -11.454 -5.712 -9.799 1.00 1.00 H new ATOM 0 HB2 PHE A 55 -9.661 -6.554 -8.122 1.00 1.00 H new ATOM 0 HB3 PHE A 55 -10.435 -8.123 -8.220 1.00 1.00 H new ATOM 0 HD1 PHE A 55 -8.910 -5.482 -10.432 1.00 1.00 H new ATOM 0 HD2 PHE A 55 -9.743 -9.670 -9.877 1.00 1.00 H new ATOM 0 HE1 PHE A 55 -7.496 -6.024 -12.401 1.00 1.00 H new ATOM 0 HE2 PHE A 55 -8.320 -10.211 -11.840 1.00 1.00 H new ATOM 0 HZ PHE A 55 -7.186 -8.392 -13.095 1.00 1.00 H new ATOM 801 N ASP A 56 -13.482 -8.082 -8.998 1.00 1.00 N ATOM 802 CA ASP A 56 -14.390 -9.159 -9.423 1.00 1.00 C ATOM 803 C ASP A 56 -15.865 -8.705 -9.461 1.00 1.00 C ATOM 804 O ASP A 56 -16.781 -9.529 -9.491 1.00 1.00 O ATOM 805 CB ASP A 56 -14.149 -10.392 -8.537 1.00 1.00 C ATOM 806 CG ASP A 56 -12.833 -11.087 -8.907 1.00 1.00 C ATOM 807 OD1 ASP A 56 -11.771 -10.656 -8.401 1.00 1.00 O ATOM 808 OD2 ASP A 56 -12.889 -12.052 -9.707 1.00 1.00 O ATOM 0 H ASP A 56 -13.651 -7.781 -8.038 1.00 1.00 H new ATOM 0 HA ASP A 56 -14.167 -9.434 -10.454 1.00 1.00 H new ATOM 0 HB2 ASP A 56 -14.124 -10.092 -7.489 1.00 1.00 H new ATOM 0 HB3 ASP A 56 -14.977 -11.092 -8.648 1.00 1.00 H new ATOM 813 N ASN A 57 -16.096 -7.384 -9.470 1.00 1.00 N ATOM 814 CA ASN A 57 -17.411 -6.736 -9.413 1.00 1.00 C ATOM 815 C ASN A 57 -18.306 -7.275 -8.275 1.00 1.00 C ATOM 816 O ASN A 57 -19.468 -7.635 -8.480 1.00 1.00 O ATOM 817 CB ASN A 57 -18.082 -6.748 -10.803 1.00 1.00 C ATOM 818 CG ASN A 57 -17.273 -6.037 -11.874 1.00 1.00 C ATOM 819 OD1 ASN A 57 -16.698 -6.645 -12.765 1.00 1.00 O ATOM 820 ND2 ASN A 57 -17.210 -4.725 -11.831 1.00 1.00 N ATOM 0 H ASN A 57 -15.334 -6.708 -9.520 1.00 1.00 H new ATOM 0 HA ASN A 57 -17.257 -5.690 -9.147 1.00 1.00 H new ATOM 0 HB2 ASN A 57 -18.246 -7.781 -11.109 1.00 1.00 H new ATOM 0 HB3 ASN A 57 -19.063 -6.278 -10.728 1.00 1.00 H new ATOM 0 HD21 ASN A 57 -16.682 -4.216 -12.540 1.00 1.00 H new ATOM 0 HD22 ASN A 57 -17.689 -4.215 -11.088 1.00 1.00 H new ATOM 827 N GLN A 58 -17.750 -7.315 -7.061 1.00 1.00 N ATOM 828 CA GLN A 58 -18.435 -7.730 -5.829 1.00 1.00 C ATOM 829 C GLN A 58 -18.544 -6.561 -4.839 1.00 1.00 C ATOM 830 O GLN A 58 -17.672 -5.695 -4.805 1.00 1.00 O ATOM 831 CB GLN A 58 -17.685 -8.899 -5.167 1.00 1.00 C ATOM 832 CG GLN A 58 -17.554 -10.134 -6.072 1.00 1.00 C ATOM 833 CD GLN A 58 -17.271 -11.406 -5.275 1.00 1.00 C ATOM 834 OE1 GLN A 58 -18.174 -12.127 -4.873 1.00 1.00 O ATOM 835 NE2 GLN A 58 -16.027 -11.744 -5.004 1.00 1.00 N ATOM 0 H GLN A 58 -16.778 -7.051 -6.901 1.00 1.00 H new ATOM 0 HA GLN A 58 -19.440 -8.053 -6.098 1.00 1.00 H new ATOM 0 HB2 GLN A 58 -16.689 -8.564 -4.877 1.00 1.00 H new ATOM 0 HB3 GLN A 58 -18.205 -9.182 -4.252 1.00 1.00 H new ATOM 0 HG2 GLN A 58 -18.473 -10.262 -6.644 1.00 1.00 H new ATOM 0 HG3 GLN A 58 -16.751 -9.972 -6.791 1.00 1.00 H new ATOM 0 HE21 GLN A 58 -15.257 -11.159 -5.329 1.00 1.00 H new ATOM 0 HE22 GLN A 58 -15.834 -12.591 -4.470 1.00 1.00 H new ATOM 844 N GLN A 59 -19.597 -6.527 -4.019 1.00 1.00 N ATOM 845 CA GLN A 59 -19.747 -5.523 -2.961 1.00 1.00 C ATOM 846 C GLN A 59 -18.998 -6.009 -1.705 1.00 1.00 C ATOM 847 O GLN A 59 -19.299 -7.077 -1.169 1.00 1.00 O ATOM 848 CB GLN A 59 -21.249 -5.263 -2.719 1.00 1.00 C ATOM 849 CG GLN A 59 -21.569 -3.902 -2.072 1.00 1.00 C ATOM 850 CD GLN A 59 -20.978 -3.734 -0.673 1.00 1.00 C ATOM 851 OE1 GLN A 59 -20.041 -2.979 -0.455 1.00 1.00 O ATOM 852 NE2 GLN A 59 -21.481 -4.451 0.307 1.00 1.00 N ATOM 0 H GLN A 59 -20.368 -7.193 -4.069 1.00 1.00 H new ATOM 0 HA GLN A 59 -19.305 -4.569 -3.248 1.00 1.00 H new ATOM 0 HB2 GLN A 59 -21.774 -5.330 -3.672 1.00 1.00 H new ATOM 0 HB3 GLN A 59 -21.643 -6.055 -2.082 1.00 1.00 H new ATOM 0 HG2 GLN A 59 -21.192 -3.106 -2.714 1.00 1.00 H new ATOM 0 HG3 GLN A 59 -22.651 -3.781 -2.017 1.00 1.00 H new ATOM 0 HE21 GLN A 59 -22.263 -5.082 0.128 1.00 1.00 H new ATOM 0 HE22 GLN A 59 -21.090 -4.377 1.246 1.00 1.00 H new ATOM 861 N ILE A 60 -18.011 -5.235 -1.251 1.00 1.00 N ATOM 862 CA ILE A 60 -17.059 -5.597 -0.192 1.00 1.00 C ATOM 863 C ILE A 60 -17.237 -4.647 0.998 1.00 1.00 C ATOM 864 O ILE A 60 -16.657 -3.561 1.047 1.00 1.00 O ATOM 865 CB ILE A 60 -15.593 -5.653 -0.702 1.00 1.00 C ATOM 866 CG1 ILE A 60 -15.443 -6.072 -2.187 1.00 1.00 C ATOM 867 CG2 ILE A 60 -14.832 -6.615 0.212 1.00 1.00 C ATOM 868 CD1 ILE A 60 -14.001 -6.106 -2.711 1.00 1.00 C ATOM 0 H ILE A 60 -17.844 -4.301 -1.624 1.00 1.00 H new ATOM 0 HA ILE A 60 -17.279 -6.611 0.141 1.00 1.00 H new ATOM 0 HB ILE A 60 -15.184 -4.643 -0.665 1.00 1.00 H new ATOM 0 HG12 ILE A 60 -15.883 -7.061 -2.316 1.00 1.00 H new ATOM 0 HG13 ILE A 60 -16.021 -5.383 -2.803 1.00 1.00 H new ATOM 0 HG21 ILE A 60 -13.794 -6.682 -0.114 1.00 1.00 H new ATOM 0 HG22 ILE A 60 -14.867 -6.247 1.237 1.00 1.00 H new ATOM 0 HG23 ILE A 60 -15.292 -7.602 0.165 1.00 1.00 H new ATOM 0 HD11 ILE A 60 -14.001 -6.410 -3.758 1.00 1.00 H new ATOM 0 HD12 ILE A 60 -13.558 -5.114 -2.621 1.00 1.00 H new ATOM 0 HD13 ILE A 60 -13.418 -6.818 -2.127 1.00 1.00 H new ATOM 880 N SER A 61 -18.099 -5.036 1.938 1.00 1.00 N ATOM 881 CA SER A 61 -18.385 -4.281 3.167 1.00 1.00 C ATOM 882 C SER A 61 -17.186 -4.199 4.128 1.00 1.00 C ATOM 883 O SER A 61 -16.223 -4.964 4.032 1.00 1.00 O ATOM 884 CB SER A 61 -19.567 -4.925 3.903 1.00 1.00 C ATOM 885 OG SER A 61 -20.717 -4.937 3.072 1.00 1.00 O ATOM 0 H SER A 61 -18.632 -5.903 1.868 1.00 1.00 H new ATOM 0 HA SER A 61 -18.620 -3.263 2.856 1.00 1.00 H new ATOM 0 HB2 SER A 61 -19.311 -5.943 4.196 1.00 1.00 H new ATOM 0 HB3 SER A 61 -19.778 -4.373 4.819 1.00 1.00 H new ATOM 0 HG SER A 61 -20.727 -5.759 2.539 1.00 1.00 H new ATOM 891 N TYR A 62 -17.284 -3.294 5.107 1.00 1.00 N ATOM 892 CA TYR A 62 -16.367 -3.189 6.249 1.00 1.00 C ATOM 893 C TYR A 62 -16.152 -4.535 6.970 1.00 1.00 C ATOM 894 O TYR A 62 -17.098 -5.301 7.182 1.00 1.00 O ATOM 895 CB TYR A 62 -16.948 -2.154 7.229 1.00 1.00 C ATOM 896 CG TYR A 62 -16.171 -1.996 8.526 1.00 1.00 C ATOM 897 CD1 TYR A 62 -16.461 -2.816 9.637 1.00 1.00 C ATOM 898 CD2 TYR A 62 -15.153 -1.031 8.619 1.00 1.00 C ATOM 899 CE1 TYR A 62 -15.715 -2.686 10.824 1.00 1.00 C ATOM 900 CE2 TYR A 62 -14.404 -0.895 9.805 1.00 1.00 C ATOM 901 CZ TYR A 62 -14.682 -1.728 10.912 1.00 1.00 C ATOM 902 OH TYR A 62 -13.968 -1.607 12.065 1.00 1.00 O ATOM 0 H TYR A 62 -18.025 -2.593 5.128 1.00 1.00 H new ATOM 0 HA TYR A 62 -15.389 -2.881 5.879 1.00 1.00 H new ATOM 0 HB2 TYR A 62 -16.993 -1.187 6.729 1.00 1.00 H new ATOM 0 HB3 TYR A 62 -17.973 -2.437 7.468 1.00 1.00 H new ATOM 0 HD1 TYR A 62 -17.256 -3.544 9.577 1.00 1.00 H new ATOM 0 HD2 TYR A 62 -14.943 -0.389 7.776 1.00 1.00 H new ATOM 0 HE1 TYR A 62 -15.934 -3.321 11.670 1.00 1.00 H new ATOM 0 HE2 TYR A 62 -13.619 -0.156 9.868 1.00 1.00 H new ATOM 0 HH TYR A 62 -13.294 -0.903 11.960 1.00 1.00 H new ATOM 912 N GLY A 63 -14.913 -4.805 7.387 1.00 1.00 N ATOM 913 CA GLY A 63 -14.569 -5.916 8.278 1.00 1.00 C ATOM 914 C GLY A 63 -14.315 -7.280 7.625 1.00 1.00 C ATOM 915 O GLY A 63 -14.051 -8.236 8.356 1.00 1.00 O ATOM 0 H GLY A 63 -14.105 -4.247 7.110 1.00 1.00 H new ATOM 0 HA2 GLY A 63 -13.676 -5.637 8.838 1.00 1.00 H new ATOM 0 HA3 GLY A 63 -15.376 -6.032 9.002 1.00 1.00 H new ATOM 919 N THR A 64 -14.369 -7.410 6.292 1.00 1.00 N ATOM 920 CA THR A 64 -14.149 -8.698 5.608 1.00 1.00 C ATOM 921 C THR A 64 -12.700 -8.865 5.151 1.00 1.00 C ATOM 922 O THR A 64 -11.955 -7.892 4.993 1.00 1.00 O ATOM 923 CB THR A 64 -15.138 -8.896 4.450 1.00 1.00 C ATOM 924 OG1 THR A 64 -15.209 -10.264 4.112 1.00 1.00 O ATOM 925 CG2 THR A 64 -14.772 -8.143 3.181 1.00 1.00 C ATOM 0 H THR A 64 -14.565 -6.634 5.659 1.00 1.00 H new ATOM 0 HA THR A 64 -14.341 -9.485 6.338 1.00 1.00 H new ATOM 0 HB THR A 64 -16.087 -8.503 4.814 1.00 1.00 H new ATOM 0 HG1 THR A 64 -15.842 -10.386 3.374 1.00 1.00 H new ATOM 0 HG21 THR A 64 -15.521 -8.337 2.414 1.00 1.00 H new ATOM 0 HG22 THR A 64 -14.735 -7.074 3.390 1.00 1.00 H new ATOM 0 HG23 THR A 64 -13.796 -8.477 2.828 1.00 1.00 H new ATOM 933 N THR A 65 -12.297 -10.114 4.938 1.00 1.00 N ATOM 934 CA THR A 65 -10.933 -10.510 4.560 1.00 1.00 C ATOM 935 C THR A 65 -10.831 -10.648 3.044 1.00 1.00 C ATOM 936 O THR A 65 -11.608 -11.372 2.419 1.00 1.00 O ATOM 937 CB THR A 65 -10.528 -11.825 5.243 1.00 1.00 C ATOM 938 OG1 THR A 65 -10.812 -11.787 6.626 1.00 1.00 O ATOM 939 CG2 THR A 65 -9.034 -12.098 5.111 1.00 1.00 C ATOM 0 H THR A 65 -12.929 -10.910 5.025 1.00 1.00 H new ATOM 0 HA THR A 65 -10.247 -9.732 4.895 1.00 1.00 H new ATOM 0 HB THR A 65 -11.101 -12.607 4.745 1.00 1.00 H new ATOM 0 HG1 THR A 65 -10.547 -12.636 7.038 1.00 1.00 H new ATOM 0 HG21 THR A 65 -8.790 -13.037 5.608 1.00 1.00 H new ATOM 0 HG22 THR A 65 -8.768 -12.166 4.056 1.00 1.00 H new ATOM 0 HG23 THR A 65 -8.473 -11.286 5.575 1.00 1.00 H new ATOM 947 N VAL A 66 -9.846 -9.980 2.446 1.00 1.00 N ATOM 948 CA VAL A 66 -9.703 -9.796 0.991 1.00 1.00 C ATOM 949 C VAL A 66 -8.312 -10.162 0.493 1.00 1.00 C ATOM 950 O VAL A 66 -7.331 -9.943 1.190 1.00 1.00 O ATOM 951 CB VAL A 66 -10.025 -8.343 0.584 1.00 1.00 C ATOM 952 CG1 VAL A 66 -11.504 -8.000 0.755 1.00 1.00 C ATOM 953 CG2 VAL A 66 -9.232 -7.284 1.365 1.00 1.00 C ATOM 0 H VAL A 66 -9.096 -9.534 2.974 1.00 1.00 H new ATOM 0 HA VAL A 66 -10.418 -10.474 0.525 1.00 1.00 H new ATOM 0 HB VAL A 66 -9.736 -8.310 -0.466 1.00 1.00 H new ATOM 0 HG11 VAL A 66 -11.675 -6.966 0.454 1.00 1.00 H new ATOM 0 HG12 VAL A 66 -12.106 -8.663 0.133 1.00 1.00 H new ATOM 0 HG13 VAL A 66 -11.788 -8.126 1.800 1.00 1.00 H new ATOM 0 HG21 VAL A 66 -9.516 -6.290 1.020 1.00 1.00 H new ATOM 0 HG22 VAL A 66 -9.452 -7.376 2.429 1.00 1.00 H new ATOM 0 HG23 VAL A 66 -8.165 -7.434 1.201 1.00 1.00 H new ATOM 963 N LEU A 67 -8.206 -10.707 -0.718 1.00 1.00 N ATOM 964 CA LEU A 67 -6.923 -10.998 -1.368 1.00 1.00 C ATOM 965 C LEU A 67 -6.672 -9.937 -2.454 1.00 1.00 C ATOM 966 O LEU A 67 -7.528 -9.694 -3.310 1.00 1.00 O ATOM 967 CB LEU A 67 -6.968 -12.463 -1.857 1.00 1.00 C ATOM 968 CG LEU A 67 -5.687 -13.092 -2.448 1.00 1.00 C ATOM 969 CD1 LEU A 67 -5.429 -12.698 -3.900 1.00 1.00 C ATOM 970 CD2 LEU A 67 -4.428 -12.787 -1.637 1.00 1.00 C ATOM 0 H LEU A 67 -9.015 -10.963 -1.284 1.00 1.00 H new ATOM 0 HA LEU A 67 -6.066 -10.928 -0.698 1.00 1.00 H new ATOM 0 HB2 LEU A 67 -7.281 -13.082 -1.016 1.00 1.00 H new ATOM 0 HB3 LEU A 67 -7.749 -12.534 -2.614 1.00 1.00 H new ATOM 0 HG LEU A 67 -5.889 -14.162 -2.401 1.00 1.00 H new ATOM 0 HD11 LEU A 67 -4.514 -13.176 -4.250 1.00 1.00 H new ATOM 0 HD12 LEU A 67 -6.266 -13.021 -4.519 1.00 1.00 H new ATOM 0 HD13 LEU A 67 -5.323 -11.615 -3.970 1.00 1.00 H new ATOM 0 HD21 LEU A 67 -3.567 -13.260 -2.110 1.00 1.00 H new ATOM 0 HD22 LEU A 67 -4.273 -11.709 -1.597 1.00 1.00 H new ATOM 0 HD23 LEU A 67 -4.544 -13.175 -0.625 1.00 1.00 H new ATOM 982 N VAL A 68 -5.525 -9.253 -2.373 1.00 1.00 N ATOM 983 CA VAL A 68 -5.152 -8.143 -3.277 1.00 1.00 C ATOM 984 C VAL A 68 -4.693 -8.671 -4.647 1.00 1.00 C ATOM 985 O VAL A 68 -3.508 -8.877 -4.897 1.00 1.00 O ATOM 986 CB VAL A 68 -4.096 -7.210 -2.641 1.00 1.00 C ATOM 987 CG1 VAL A 68 -3.925 -5.949 -3.493 1.00 1.00 C ATOM 988 CG2 VAL A 68 -4.498 -6.768 -1.226 1.00 1.00 C ATOM 0 H VAL A 68 -4.815 -9.453 -1.669 1.00 1.00 H new ATOM 0 HA VAL A 68 -6.047 -7.542 -3.439 1.00 1.00 H new ATOM 0 HB VAL A 68 -3.166 -7.777 -2.589 1.00 1.00 H new ATOM 0 HG11 VAL A 68 -3.179 -5.299 -3.036 1.00 1.00 H new ATOM 0 HG12 VAL A 68 -3.598 -6.228 -4.495 1.00 1.00 H new ATOM 0 HG13 VAL A 68 -4.876 -5.421 -3.556 1.00 1.00 H new ATOM 0 HG21 VAL A 68 -3.728 -6.114 -0.817 1.00 1.00 H new ATOM 0 HG22 VAL A 68 -5.446 -6.231 -1.268 1.00 1.00 H new ATOM 0 HG23 VAL A 68 -4.606 -7.645 -0.588 1.00 1.00 H new ATOM 998 N VAL A 69 -5.650 -8.955 -5.530 1.00 1.00 N ATOM 999 CA VAL A 69 -5.448 -9.622 -6.831 1.00 1.00 C ATOM 1000 C VAL A 69 -4.734 -8.775 -7.898 1.00 1.00 C ATOM 1001 O VAL A 69 -4.084 -9.338 -8.780 1.00 1.00 O ATOM 1002 CB VAL A 69 -6.784 -10.142 -7.400 1.00 1.00 C ATOM 1003 CG1 VAL A 69 -7.205 -11.440 -6.708 1.00 1.00 C ATOM 1004 CG2 VAL A 69 -7.940 -9.149 -7.256 1.00 1.00 C ATOM 0 H VAL A 69 -6.628 -8.721 -5.359 1.00 1.00 H new ATOM 0 HA VAL A 69 -4.777 -10.451 -6.605 1.00 1.00 H new ATOM 0 HB VAL A 69 -6.594 -10.301 -8.461 1.00 1.00 H new ATOM 0 HG11 VAL A 69 -8.150 -11.786 -7.127 1.00 1.00 H new ATOM 0 HG12 VAL A 69 -6.439 -12.200 -6.863 1.00 1.00 H new ATOM 0 HG13 VAL A 69 -7.326 -11.260 -5.640 1.00 1.00 H new ATOM 0 HG21 VAL A 69 -8.847 -9.583 -7.678 1.00 1.00 H new ATOM 0 HG22 VAL A 69 -8.100 -8.928 -6.201 1.00 1.00 H new ATOM 0 HG23 VAL A 69 -7.697 -8.228 -7.787 1.00 1.00 H new ATOM 1014 N ASP A 70 -4.801 -7.443 -7.825 1.00 1.00 N ATOM 1015 CA ASP A 70 -4.044 -6.523 -8.694 1.00 1.00 C ATOM 1016 C ASP A 70 -3.747 -5.218 -7.930 1.00 1.00 C ATOM 1017 O ASP A 70 -4.333 -4.977 -6.875 1.00 1.00 O ATOM 1018 CB ASP A 70 -4.830 -6.264 -10.000 1.00 1.00 C ATOM 1019 CG ASP A 70 -3.927 -6.049 -11.218 1.00 1.00 C ATOM 1020 OD1 ASP A 70 -3.180 -5.044 -11.221 1.00 1.00 O ATOM 1021 OD2 ASP A 70 -3.987 -6.882 -12.152 1.00 1.00 O ATOM 0 H ASP A 70 -5.393 -6.960 -7.149 1.00 1.00 H new ATOM 0 HA ASP A 70 -3.090 -6.972 -8.971 1.00 1.00 H new ATOM 0 HB2 ASP A 70 -5.491 -7.109 -10.191 1.00 1.00 H new ATOM 0 HB3 ASP A 70 -5.464 -5.387 -9.867 1.00 1.00 H new ATOM 1026 N ILE A 71 -2.842 -4.367 -8.419 1.00 1.00 N ATOM 1027 CA ILE A 71 -2.401 -3.144 -7.720 1.00 1.00 C ATOM 1028 C ILE A 71 -2.095 -2.022 -8.721 1.00 1.00 C ATOM 1029 O ILE A 71 -1.478 -2.235 -9.767 1.00 1.00 O ATOM 1030 CB ILE A 71 -1.177 -3.451 -6.805 1.00 1.00 C ATOM 1031 CG1 ILE A 71 -1.615 -4.394 -5.659 1.00 1.00 C ATOM 1032 CG2 ILE A 71 -0.543 -2.176 -6.218 1.00 1.00 C ATOM 1033 CD1 ILE A 71 -0.646 -4.588 -4.495 1.00 1.00 C ATOM 0 H ILE A 71 -2.386 -4.504 -9.321 1.00 1.00 H new ATOM 0 HA ILE A 71 -3.213 -2.796 -7.082 1.00 1.00 H new ATOM 0 HB ILE A 71 -0.418 -3.931 -7.423 1.00 1.00 H new ATOM 0 HG12 ILE A 71 -2.555 -4.018 -5.255 1.00 1.00 H new ATOM 0 HG13 ILE A 71 -1.823 -5.373 -6.090 1.00 1.00 H new ATOM 0 HG21 ILE A 71 0.305 -2.448 -5.589 1.00 1.00 H new ATOM 0 HG22 ILE A 71 -0.202 -1.533 -7.029 1.00 1.00 H new ATOM 0 HG23 ILE A 71 -1.283 -1.644 -5.620 1.00 1.00 H new ATOM 0 HD11 ILE A 71 -1.083 -5.272 -3.768 1.00 1.00 H new ATOM 0 HD12 ILE A 71 0.291 -5.003 -4.867 1.00 1.00 H new ATOM 0 HD13 ILE A 71 -0.453 -3.627 -4.018 1.00 1.00 H new ATOM 1045 N ASN A 72 -2.486 -0.804 -8.344 1.00 1.00 N ATOM 1046 CA ASN A 72 -2.150 0.468 -8.981 1.00 1.00 C ATOM 1047 C ASN A 72 -1.731 1.473 -7.882 1.00 1.00 C ATOM 1048 O ASN A 72 -2.012 1.242 -6.705 1.00 1.00 O ATOM 1049 CB ASN A 72 -3.381 0.915 -9.795 1.00 1.00 C ATOM 1050 CG ASN A 72 -3.155 2.208 -10.556 1.00 1.00 C ATOM 1051 OD1 ASN A 72 -3.576 3.280 -10.151 1.00 1.00 O ATOM 1052 ND2 ASN A 72 -2.447 2.158 -11.663 1.00 1.00 N ATOM 0 H ASN A 72 -3.087 -0.672 -7.530 1.00 1.00 H new ATOM 0 HA ASN A 72 -1.308 0.391 -9.669 1.00 1.00 H new ATOM 0 HB2 ASN A 72 -3.648 0.128 -10.500 1.00 1.00 H new ATOM 0 HB3 ASN A 72 -4.228 1.041 -9.121 1.00 1.00 H new ATOM 0 HD21 ASN A 72 -2.250 3.014 -12.182 1.00 1.00 H new ATOM 0 HD22 ASN A 72 -2.094 1.263 -12.003 1.00 1.00 H new ATOM 1059 N ASN A 73 -1.040 2.562 -8.240 1.00 1.00 N ATOM 1060 CA ASN A 73 -0.434 3.531 -7.311 1.00 1.00 C ATOM 1061 C ASN A 73 -1.401 4.049 -6.218 1.00 1.00 C ATOM 1062 O ASN A 73 -2.220 4.938 -6.464 1.00 1.00 O ATOM 1063 CB ASN A 73 0.175 4.678 -8.141 1.00 1.00 C ATOM 1064 CG ASN A 73 0.897 5.713 -7.289 1.00 1.00 C ATOM 1065 OD1 ASN A 73 1.382 5.443 -6.199 1.00 1.00 O ATOM 1066 ND2 ASN A 73 0.993 6.938 -7.756 1.00 1.00 N ATOM 0 H ASN A 73 -0.880 2.804 -9.218 1.00 1.00 H new ATOM 0 HA ASN A 73 0.346 3.019 -6.747 1.00 1.00 H new ATOM 0 HB2 ASN A 73 0.874 4.262 -8.867 1.00 1.00 H new ATOM 0 HB3 ASN A 73 -0.617 5.170 -8.706 1.00 1.00 H new ATOM 0 HD21 ASN A 73 1.470 7.656 -7.210 1.00 1.00 H new ATOM 0 HD22 ASN A 73 0.591 7.171 -8.664 1.00 1.00 H new ATOM 1073 N GLY A 74 -1.312 3.482 -5.010 1.00 1.00 N ATOM 1074 CA GLY A 74 -2.186 3.767 -3.863 1.00 1.00 C ATOM 1075 C GLY A 74 -3.651 3.329 -4.017 1.00 1.00 C ATOM 1076 O GLY A 74 -4.483 3.706 -3.191 1.00 1.00 O ATOM 0 H GLY A 74 -0.601 2.783 -4.794 1.00 1.00 H new ATOM 0 HA2 GLY A 74 -1.770 3.277 -2.982 1.00 1.00 H new ATOM 0 HA3 GLY A 74 -2.165 4.840 -3.671 1.00 1.00 H new ATOM 1080 N VAL A 75 -3.968 2.532 -5.045 1.00 1.00 N ATOM 1081 CA VAL A 75 -5.311 2.045 -5.400 1.00 1.00 C ATOM 1082 C VAL A 75 -5.222 0.544 -5.689 1.00 1.00 C ATOM 1083 O VAL A 75 -4.998 0.099 -6.816 1.00 1.00 O ATOM 1084 CB VAL A 75 -5.937 2.824 -6.579 1.00 1.00 C ATOM 1085 CG1 VAL A 75 -7.392 2.385 -6.803 1.00 1.00 C ATOM 1086 CG2 VAL A 75 -5.953 4.340 -6.336 1.00 1.00 C ATOM 0 H VAL A 75 -3.255 2.189 -5.689 1.00 1.00 H new ATOM 0 HA VAL A 75 -5.981 2.217 -4.558 1.00 1.00 H new ATOM 0 HB VAL A 75 -5.318 2.603 -7.448 1.00 1.00 H new ATOM 0 HG11 VAL A 75 -7.816 2.944 -7.637 1.00 1.00 H new ATOM 0 HG12 VAL A 75 -7.420 1.319 -7.029 1.00 1.00 H new ATOM 0 HG13 VAL A 75 -7.974 2.580 -5.902 1.00 1.00 H new ATOM 0 HG21 VAL A 75 -6.402 4.841 -7.193 1.00 1.00 H new ATOM 0 HG22 VAL A 75 -6.536 4.559 -5.441 1.00 1.00 H new ATOM 0 HG23 VAL A 75 -4.932 4.698 -6.201 1.00 1.00 H new ATOM 1096 N LEU A 76 -5.316 -0.250 -4.627 1.00 1.00 N ATOM 1097 CA LEU A 76 -5.249 -1.711 -4.671 1.00 1.00 C ATOM 1098 C LEU A 76 -6.545 -2.285 -5.280 1.00 1.00 C ATOM 1099 O LEU A 76 -7.633 -1.752 -5.068 1.00 1.00 O ATOM 1100 CB LEU A 76 -5.025 -2.210 -3.227 1.00 1.00 C ATOM 1101 CG LEU A 76 -3.560 -2.159 -2.736 1.00 1.00 C ATOM 1102 CD1 LEU A 76 -2.886 -0.786 -2.837 1.00 1.00 C ATOM 1103 CD2 LEU A 76 -3.501 -2.604 -1.274 1.00 1.00 C ATOM 0 H LEU A 76 -5.445 0.114 -3.683 1.00 1.00 H new ATOM 0 HA LEU A 76 -4.428 -2.047 -5.304 1.00 1.00 H new ATOM 0 HB2 LEU A 76 -5.639 -1.612 -2.553 1.00 1.00 H new ATOM 0 HB3 LEU A 76 -5.381 -3.238 -3.155 1.00 1.00 H new ATOM 0 HG LEU A 76 -3.013 -2.825 -3.403 1.00 1.00 H new ATOM 0 HD11 LEU A 76 -1.862 -0.855 -2.469 1.00 1.00 H new ATOM 0 HD12 LEU A 76 -2.876 -0.461 -3.877 1.00 1.00 H new ATOM 0 HD13 LEU A 76 -3.440 -0.064 -2.237 1.00 1.00 H new ATOM 0 HD21 LEU A 76 -2.469 -2.569 -0.924 1.00 1.00 H new ATOM 0 HD22 LEU A 76 -4.113 -1.938 -0.666 1.00 1.00 H new ATOM 0 HD23 LEU A 76 -3.879 -3.623 -1.188 1.00 1.00 H new ATOM 1115 N SER A 77 -6.453 -3.400 -6.000 1.00 1.00 N ATOM 1116 CA SER A 77 -7.608 -4.119 -6.552 1.00 1.00 C ATOM 1117 C SER A 77 -7.780 -5.423 -5.786 1.00 1.00 C ATOM 1118 O SER A 77 -6.873 -6.257 -5.746 1.00 1.00 O ATOM 1119 CB SER A 77 -7.430 -4.413 -8.039 1.00 1.00 C ATOM 1120 OG SER A 77 -7.153 -3.237 -8.781 1.00 1.00 O ATOM 0 H SER A 77 -5.560 -3.840 -6.223 1.00 1.00 H new ATOM 0 HA SER A 77 -8.493 -3.492 -6.445 1.00 1.00 H new ATOM 0 HB2 SER A 77 -6.617 -5.127 -8.173 1.00 1.00 H new ATOM 0 HB3 SER A 77 -8.334 -4.883 -8.427 1.00 1.00 H new ATOM 0 HG SER A 77 -7.044 -3.466 -9.728 1.00 1.00 H new ATOM 1126 N VAL A 78 -8.942 -5.602 -5.162 1.00 1.00 N ATOM 1127 CA VAL A 78 -9.179 -6.688 -4.201 1.00 1.00 C ATOM 1128 C VAL A 78 -10.491 -7.426 -4.472 1.00 1.00 C ATOM 1129 O VAL A 78 -11.354 -6.956 -5.214 1.00 1.00 O ATOM 1130 CB VAL A 78 -9.096 -6.162 -2.745 1.00 1.00 C ATOM 1131 CG1 VAL A 78 -7.910 -5.221 -2.497 1.00 1.00 C ATOM 1132 CG2 VAL A 78 -10.348 -5.415 -2.284 1.00 1.00 C ATOM 0 H VAL A 78 -9.751 -4.998 -5.306 1.00 1.00 H new ATOM 0 HA VAL A 78 -8.386 -7.423 -4.334 1.00 1.00 H new ATOM 0 HB VAL A 78 -8.976 -7.081 -2.171 1.00 1.00 H new ATOM 0 HG11 VAL A 78 -7.917 -4.893 -1.457 1.00 1.00 H new ATOM 0 HG12 VAL A 78 -6.978 -5.747 -2.706 1.00 1.00 H new ATOM 0 HG13 VAL A 78 -7.991 -4.353 -3.151 1.00 1.00 H new ATOM 0 HG21 VAL A 78 -10.213 -5.078 -1.256 1.00 1.00 H new ATOM 0 HG22 VAL A 78 -10.515 -4.553 -2.929 1.00 1.00 H new ATOM 0 HG23 VAL A 78 -11.209 -6.081 -2.338 1.00 1.00 H new ATOM 1142 N THR A 79 -10.644 -8.592 -3.851 1.00 1.00 N ATOM 1143 CA THR A 79 -11.872 -9.402 -3.852 1.00 1.00 C ATOM 1144 C THR A 79 -11.925 -10.217 -2.545 1.00 1.00 C ATOM 1145 O THR A 79 -10.861 -10.603 -2.041 1.00 1.00 O ATOM 1146 CB THR A 79 -11.912 -10.294 -5.112 1.00 1.00 C ATOM 1147 OG1 THR A 79 -13.111 -11.032 -5.151 1.00 1.00 O ATOM 1148 CG2 THR A 79 -10.760 -11.300 -5.195 1.00 1.00 C ATOM 0 H THR A 79 -9.892 -9.020 -3.311 1.00 1.00 H new ATOM 0 HA THR A 79 -12.757 -8.767 -3.890 1.00 1.00 H new ATOM 0 HB THR A 79 -11.828 -9.604 -5.952 1.00 1.00 H new ATOM 0 HG1 THR A 79 -13.125 -11.592 -5.955 1.00 1.00 H new ATOM 0 HG21 THR A 79 -10.857 -11.890 -6.107 1.00 1.00 H new ATOM 0 HG22 THR A 79 -9.810 -10.765 -5.208 1.00 1.00 H new ATOM 0 HG23 THR A 79 -10.792 -11.962 -4.330 1.00 1.00 H new ATOM 1156 N PRO A 80 -13.100 -10.444 -1.924 1.00 1.00 N ATOM 1157 CA PRO A 80 -13.192 -11.151 -0.646 1.00 1.00 C ATOM 1158 C PRO A 80 -12.767 -12.620 -0.755 1.00 1.00 C ATOM 1159 O PRO A 80 -13.339 -13.408 -1.512 1.00 1.00 O ATOM 1160 CB PRO A 80 -14.633 -10.975 -0.165 1.00 1.00 C ATOM 1161 CG PRO A 80 -15.419 -10.724 -1.452 1.00 1.00 C ATOM 1162 CD PRO A 80 -14.416 -9.955 -2.312 1.00 1.00 C ATOM 0 HA PRO A 80 -12.496 -10.735 0.082 1.00 1.00 H new ATOM 0 HB2 PRO A 80 -14.992 -11.862 0.356 1.00 1.00 H new ATOM 0 HB3 PRO A 80 -14.724 -10.139 0.529 1.00 1.00 H new ATOM 0 HG2 PRO A 80 -15.729 -11.656 -1.926 1.00 1.00 H new ATOM 0 HG3 PRO A 80 -16.323 -10.144 -1.268 1.00 1.00 H new ATOM 0 HD2 PRO A 80 -14.599 -10.126 -3.373 1.00 1.00 H new ATOM 0 HD3 PRO A 80 -14.499 -8.881 -2.143 1.00 1.00 H new ATOM 1170 N HIS A 81 -11.763 -12.983 0.046 1.00 1.00 N ATOM 1171 CA HIS A 81 -11.307 -14.360 0.242 1.00 1.00 C ATOM 1172 C HIS A 81 -12.084 -15.036 1.393 1.00 1.00 C ATOM 1173 O HIS A 81 -12.390 -16.226 1.308 1.00 1.00 O ATOM 1174 CB HIS A 81 -9.797 -14.328 0.540 1.00 1.00 C ATOM 1175 CG HIS A 81 -9.104 -15.677 0.548 1.00 1.00 C ATOM 1176 ND1 HIS A 81 -9.673 -16.908 0.798 1.00 1.00 N ATOM 1177 CD2 HIS A 81 -7.774 -15.902 0.307 1.00 1.00 C ATOM 1178 CE1 HIS A 81 -8.717 -17.846 0.709 1.00 1.00 C ATOM 1179 NE2 HIS A 81 -7.535 -17.280 0.411 1.00 1.00 N ATOM 0 H HIS A 81 -11.229 -12.307 0.592 1.00 1.00 H new ATOM 0 HA HIS A 81 -11.493 -14.946 -0.658 1.00 1.00 H new ATOM 0 HB2 HIS A 81 -9.311 -13.694 -0.202 1.00 1.00 H new ATOM 0 HB3 HIS A 81 -9.646 -13.856 1.511 1.00 1.00 H new ATOM 0 HD1 HIS A 81 -10.655 -17.077 1.014 1.00 1.00 H new ATOM 0 HD2 HIS A 81 -7.036 -15.148 0.077 1.00 1.00 H new ATOM 0 HE1 HIS A 81 -8.875 -18.904 0.856 1.00 1.00 H new