USER MOD reduce.3.24.130724 H: found=0, std=0, add=451, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 448 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 5 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -173:sc= 0 (180deg=-0.0431) USER MOD Single : A 2 SER OG : rot -61:sc= 1.25 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 15 MET CE :methyl -177:sc= -1.22 (180deg=-1.24) USER MOD Single : A 16 ASN : amide:sc= -3.51 K(o=-3.5,f=-11!) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0.0126 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.00177 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.91 K(o=-0.91,f=-3.7!) USER MOD Single : A 43 ASN : amide:sc= -0.475 X(o=-0.48,f=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.108 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -0.279 X(o=-0.28,f=-0.069) USER MOD Single : A 52 GLN : amide:sc= 0.0577 X(o=0.058,f=0) USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 55 HIS : no HD1:sc= -0.281 X(o=-0.28,f=-0.7) USER MOD Single : A 59 SER OG : rot 150:sc= -0.0391 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 20.032 25.668 -12.507 1.00 0.00 N ATOM 2 CA GLY A 1 20.316 27.080 -12.131 1.00 0.00 C ATOM 3 C GLY A 1 19.353 27.607 -11.085 1.00 0.00 C ATOM 4 O GLY A 1 19.748 28.341 -10.180 1.00 0.00 O ATOM 0 H1 GLY A 1 20.785 25.317 -13.133 1.00 0.00 H new ATOM 0 H2 GLY A 1 19.994 25.081 -11.649 1.00 0.00 H new ATOM 0 H3 GLY A 1 19.119 25.618 -13.002 1.00 0.00 H new ATOM 0 HA2 GLY A 1 21.335 27.154 -11.752 1.00 0.00 H new ATOM 0 HA3 GLY A 1 20.261 27.708 -13.020 1.00 0.00 H new ATOM 10 N SER A 2 18.085 27.229 -11.210 1.00 0.00 N ATOM 11 CA SER A 2 17.060 27.667 -10.270 1.00 0.00 C ATOM 12 C SER A 2 15.826 26.775 -10.360 1.00 0.00 C ATOM 13 O SER A 2 14.702 27.229 -10.147 1.00 0.00 O ATOM 14 CB SER A 2 16.673 29.121 -10.545 1.00 0.00 C ATOM 15 OG SER A 2 15.612 29.535 -9.700 1.00 0.00 O ATOM 0 H SER A 2 17.743 26.620 -11.953 1.00 0.00 H new ATOM 0 HA SER A 2 17.469 27.592 -9.263 1.00 0.00 H new ATOM 0 HB2 SER A 2 17.538 29.766 -10.391 1.00 0.00 H new ATOM 0 HB3 SER A 2 16.375 29.230 -11.588 1.00 0.00 H new ATOM 0 HG SER A 2 14.823 28.979 -9.870 1.00 0.00 H new ATOM 21 N SER A 3 16.046 25.503 -10.677 1.00 0.00 N ATOM 22 CA SER A 3 14.953 24.544 -10.796 1.00 0.00 C ATOM 23 C SER A 3 14.599 23.949 -9.437 1.00 0.00 C ATOM 24 O SER A 3 15.154 24.343 -8.411 1.00 0.00 O ATOM 25 CB SER A 3 15.330 23.429 -11.771 1.00 0.00 C ATOM 26 OG SER A 3 14.897 23.731 -13.086 1.00 0.00 O ATOM 0 H SER A 3 16.971 25.112 -10.856 1.00 0.00 H new ATOM 0 HA SER A 3 14.080 25.073 -11.179 1.00 0.00 H new ATOM 0 HB2 SER A 3 16.411 23.287 -11.765 1.00 0.00 H new ATOM 0 HB3 SER A 3 14.883 22.490 -11.445 1.00 0.00 H new ATOM 0 HG SER A 3 15.152 23.003 -13.690 1.00 0.00 H new ATOM 32 N GLY A 4 13.672 22.996 -9.439 1.00 0.00 N ATOM 33 CA GLY A 4 13.259 22.359 -8.202 1.00 0.00 C ATOM 34 C GLY A 4 13.283 20.846 -8.294 1.00 0.00 C ATOM 35 O GLY A 4 14.188 20.268 -8.894 1.00 0.00 O ATOM 0 H GLY A 4 13.199 22.654 -10.276 1.00 0.00 H new ATOM 0 HA2 GLY A 4 13.916 22.681 -7.394 1.00 0.00 H new ATOM 0 HA3 GLY A 4 12.252 22.689 -7.945 1.00 0.00 H new ATOM 39 N SER A 5 12.284 20.203 -7.699 1.00 0.00 N ATOM 40 CA SER A 5 12.195 18.747 -7.717 1.00 0.00 C ATOM 41 C SER A 5 10.907 18.273 -7.050 1.00 0.00 C ATOM 42 O SER A 5 10.255 17.343 -7.526 1.00 0.00 O ATOM 43 CB SER A 5 13.405 18.131 -7.011 1.00 0.00 C ATOM 44 OG SER A 5 13.698 18.819 -5.808 1.00 0.00 O ATOM 0 H SER A 5 11.525 20.666 -7.199 1.00 0.00 H new ATOM 0 HA SER A 5 12.186 18.422 -8.757 1.00 0.00 H new ATOM 0 HB2 SER A 5 13.208 17.081 -6.794 1.00 0.00 H new ATOM 0 HB3 SER A 5 14.271 18.163 -7.672 1.00 0.00 H new ATOM 0 HG SER A 5 14.474 18.405 -5.375 1.00 0.00 H new ATOM 50 N SER A 6 10.546 18.919 -5.946 1.00 0.00 N ATOM 51 CA SER A 6 9.337 18.564 -5.213 1.00 0.00 C ATOM 52 C SER A 6 8.573 19.814 -4.786 1.00 0.00 C ATOM 53 O SER A 6 8.966 20.934 -5.110 1.00 0.00 O ATOM 54 CB SER A 6 9.687 17.723 -3.985 1.00 0.00 C ATOM 55 OG SER A 6 10.939 18.107 -3.444 1.00 0.00 O ATOM 0 H SER A 6 11.074 19.691 -5.540 1.00 0.00 H new ATOM 0 HA SER A 6 8.700 17.978 -5.876 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.910 17.837 -3.229 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.714 16.668 -4.258 1.00 0.00 H new ATOM 0 HG SER A 6 11.139 17.556 -2.659 1.00 0.00 H new ATOM 61 N GLY A 7 7.480 19.613 -4.057 1.00 0.00 N ATOM 62 CA GLY A 7 6.679 20.732 -3.597 1.00 0.00 C ATOM 63 C GLY A 7 5.273 20.711 -4.165 1.00 0.00 C ATOM 64 O GLY A 7 5.086 20.784 -5.379 1.00 0.00 O ATOM 0 H GLY A 7 7.135 18.695 -3.777 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.628 20.715 -2.508 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.168 21.665 -3.879 1.00 0.00 H new ATOM 68 N VAL A 8 4.282 20.608 -3.285 1.00 0.00 N ATOM 69 CA VAL A 8 2.886 20.577 -3.704 1.00 0.00 C ATOM 70 C VAL A 8 2.597 19.340 -4.549 1.00 0.00 C ATOM 71 O VAL A 8 3.407 18.943 -5.386 1.00 0.00 O ATOM 72 CB VAL A 8 2.512 21.835 -4.511 1.00 0.00 C ATOM 73 CG1 VAL A 8 1.020 21.858 -4.805 1.00 0.00 C ATOM 74 CG2 VAL A 8 2.935 23.094 -3.768 1.00 0.00 C ATOM 0 H VAL A 8 4.421 20.545 -2.276 1.00 0.00 H new ATOM 0 HA VAL A 8 2.283 20.546 -2.797 1.00 0.00 H new ATOM 0 HB VAL A 8 3.046 21.805 -5.461 1.00 0.00 H new ATOM 0 HG11 VAL A 8 0.775 22.754 -5.376 1.00 0.00 H new ATOM 0 HG12 VAL A 8 0.749 20.974 -5.383 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.464 21.862 -3.867 1.00 0.00 H new ATOM 0 HG21 VAL A 8 2.662 23.971 -4.354 1.00 0.00 H new ATOM 0 HG22 VAL A 8 2.432 23.132 -2.802 1.00 0.00 H new ATOM 0 HG23 VAL A 8 4.014 23.081 -3.615 1.00 0.00 H new ATOM 84 N THR A 9 1.436 18.733 -4.322 1.00 0.00 N ATOM 85 CA THR A 9 1.039 17.541 -5.063 1.00 0.00 C ATOM 86 C THR A 9 -0.410 17.648 -5.527 1.00 0.00 C ATOM 87 O THR A 9 -1.336 17.321 -4.785 1.00 0.00 O ATOM 88 CB THR A 9 1.222 16.290 -4.198 1.00 0.00 C ATOM 89 OG1 THR A 9 2.008 16.578 -3.056 1.00 0.00 O ATOM 90 CG2 THR A 9 1.884 15.146 -4.934 1.00 0.00 C ATOM 0 H THR A 9 0.754 19.047 -3.631 1.00 0.00 H new ATOM 0 HA THR A 9 1.678 17.460 -5.942 1.00 0.00 H new ATOM 0 HB THR A 9 0.214 15.986 -3.916 1.00 0.00 H new ATOM 0 HG1 THR A 9 2.111 15.766 -2.517 1.00 0.00 H new ATOM 0 HG21 THR A 9 1.983 14.292 -4.264 1.00 0.00 H new ATOM 0 HG22 THR A 9 1.275 14.865 -5.793 1.00 0.00 H new ATOM 0 HG23 THR A 9 2.872 15.456 -5.276 1.00 0.00 H new ATOM 98 N TYR A 10 -0.598 18.106 -6.760 1.00 0.00 N ATOM 99 CA TYR A 10 -1.935 18.256 -7.324 1.00 0.00 C ATOM 100 C TYR A 10 -2.029 17.578 -8.688 1.00 0.00 C ATOM 101 O TYR A 10 -2.779 18.015 -9.560 1.00 0.00 O ATOM 102 CB TYR A 10 -2.293 19.740 -7.448 1.00 0.00 C ATOM 103 CG TYR A 10 -3.442 20.162 -6.562 1.00 0.00 C ATOM 104 CD1 TYR A 10 -3.529 19.720 -5.247 1.00 0.00 C ATOM 105 CD2 TYR A 10 -4.439 21.003 -7.037 1.00 0.00 C ATOM 106 CE1 TYR A 10 -4.578 20.103 -4.433 1.00 0.00 C ATOM 107 CE2 TYR A 10 -5.491 21.392 -6.229 1.00 0.00 C ATOM 108 CZ TYR A 10 -5.556 20.939 -4.929 1.00 0.00 C ATOM 109 OH TYR A 10 -6.601 21.322 -4.122 1.00 0.00 O ATOM 0 H TYR A 10 0.158 18.380 -7.388 1.00 0.00 H new ATOM 0 HA TYR A 10 -2.645 17.774 -6.652 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -1.416 20.338 -7.201 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -2.546 19.959 -8.485 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -2.764 19.066 -4.855 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -4.392 21.360 -8.055 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -4.632 19.749 -3.414 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -6.258 22.047 -6.614 1.00 0.00 H new ATOM 0 HH TYR A 10 -7.202 21.912 -4.623 1.00 0.00 H new ATOM 119 N ASP A 11 -1.263 16.507 -8.864 1.00 0.00 N ATOM 120 CA ASP A 11 -1.261 15.768 -10.121 1.00 0.00 C ATOM 121 C ASP A 11 -0.579 14.412 -9.956 1.00 0.00 C ATOM 122 O ASP A 11 0.272 14.030 -10.760 1.00 0.00 O ATOM 123 CB ASP A 11 -0.556 16.578 -11.212 1.00 0.00 C ATOM 124 CG ASP A 11 -1.501 17.515 -11.938 1.00 0.00 C ATOM 125 OD1 ASP A 11 -2.402 17.019 -12.645 1.00 0.00 O ATOM 126 OD2 ASP A 11 -1.340 18.747 -11.797 1.00 0.00 O ATOM 0 H ASP A 11 -0.636 16.131 -8.153 1.00 0.00 H new ATOM 0 HA ASP A 11 -2.297 15.599 -10.415 1.00 0.00 H new ATOM 0 HB2 ASP A 11 0.253 17.156 -10.766 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -0.102 15.896 -11.931 1.00 0.00 H new ATOM 131 N ASP A 12 -0.961 13.688 -8.909 1.00 0.00 N ATOM 132 CA ASP A 12 -0.388 12.375 -8.640 1.00 0.00 C ATOM 133 C ASP A 12 -1.376 11.495 -7.880 1.00 0.00 C ATOM 134 O ASP A 12 -0.988 10.731 -6.995 1.00 0.00 O ATOM 135 CB ASP A 12 0.912 12.516 -7.842 1.00 0.00 C ATOM 136 CG ASP A 12 2.042 11.693 -8.430 1.00 0.00 C ATOM 137 OD1 ASP A 12 2.161 11.650 -9.672 1.00 0.00 O ATOM 138 OD2 ASP A 12 2.807 11.092 -7.647 1.00 0.00 O ATOM 0 H ASP A 12 -1.664 13.988 -8.234 1.00 0.00 H new ATOM 0 HA ASP A 12 -0.168 11.899 -9.595 1.00 0.00 H new ATOM 0 HB2 ASP A 12 1.206 13.565 -7.814 1.00 0.00 H new ATOM 0 HB3 ASP A 12 0.738 12.206 -6.811 1.00 0.00 H new ATOM 143 N VAL A 13 -2.651 11.605 -8.232 1.00 0.00 N ATOM 144 CA VAL A 13 -3.694 10.820 -7.584 1.00 0.00 C ATOM 145 C VAL A 13 -4.673 10.255 -8.610 1.00 0.00 C ATOM 146 O VAL A 13 -5.766 10.789 -8.800 1.00 0.00 O ATOM 147 CB VAL A 13 -4.475 11.660 -6.557 1.00 0.00 C ATOM 148 CG1 VAL A 13 -3.642 11.883 -5.303 1.00 0.00 C ATOM 149 CG2 VAL A 13 -4.900 12.988 -7.166 1.00 0.00 C ATOM 0 H VAL A 13 -2.988 12.231 -8.964 1.00 0.00 H new ATOM 0 HA VAL A 13 -3.196 9.999 -7.067 1.00 0.00 H new ATOM 0 HB VAL A 13 -5.373 11.111 -6.275 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -4.211 12.479 -4.589 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -3.393 10.921 -4.856 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.724 12.410 -5.565 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -5.451 13.568 -6.426 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.016 13.544 -7.479 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -5.538 12.804 -8.031 1.00 0.00 H new ATOM 159 N HIS A 14 -4.272 9.173 -9.269 1.00 0.00 N ATOM 160 CA HIS A 14 -5.114 8.538 -10.278 1.00 0.00 C ATOM 161 C HIS A 14 -5.590 7.162 -9.817 1.00 0.00 C ATOM 162 O HIS A 14 -6.571 6.631 -10.337 1.00 0.00 O ATOM 163 CB HIS A 14 -4.352 8.411 -11.598 1.00 0.00 C ATOM 164 CG HIS A 14 -4.262 9.697 -12.360 1.00 0.00 C ATOM 165 ND1 HIS A 14 -3.075 10.368 -12.566 1.00 0.00 N ATOM 166 CD2 HIS A 14 -5.220 10.434 -12.970 1.00 0.00 C ATOM 167 CE1 HIS A 14 -3.307 11.464 -13.267 1.00 0.00 C ATOM 168 NE2 HIS A 14 -4.600 11.527 -13.525 1.00 0.00 N ATOM 0 H HIS A 14 -3.371 8.718 -9.123 1.00 0.00 H new ATOM 0 HA HIS A 14 -5.991 9.168 -10.427 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -3.345 8.047 -11.394 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -4.841 7.662 -12.221 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -6.275 10.205 -13.012 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -2.565 12.185 -13.576 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -5.064 12.267 -14.051 1.00 0.00 H new ATOM 176 N MET A 15 -4.894 6.591 -8.840 1.00 0.00 N ATOM 177 CA MET A 15 -5.252 5.280 -8.313 1.00 0.00 C ATOM 178 C MET A 15 -5.519 5.352 -6.812 1.00 0.00 C ATOM 179 O MET A 15 -4.908 4.630 -6.023 1.00 0.00 O ATOM 180 CB MET A 15 -4.137 4.269 -8.607 1.00 0.00 C ATOM 181 CG MET A 15 -4.645 2.951 -9.169 1.00 0.00 C ATOM 182 SD MET A 15 -4.430 1.574 -8.023 1.00 0.00 S ATOM 183 CE MET A 15 -5.467 0.330 -8.790 1.00 0.00 C ATOM 0 H MET A 15 -4.079 7.016 -8.397 1.00 0.00 H new ATOM 0 HA MET A 15 -6.167 4.951 -8.806 1.00 0.00 H new ATOM 0 HB2 MET A 15 -3.435 4.710 -9.315 1.00 0.00 H new ATOM 0 HB3 MET A 15 -3.583 4.074 -7.689 1.00 0.00 H new ATOM 0 HG2 MET A 15 -5.702 3.050 -9.417 1.00 0.00 H new ATOM 0 HG3 MET A 15 -4.119 2.730 -10.098 1.00 0.00 H new ATOM 0 HE1 MET A 15 -5.481 -0.566 -8.169 1.00 0.00 H new ATOM 0 HE2 MET A 15 -6.481 0.715 -8.894 1.00 0.00 H new ATOM 0 HE3 MET A 15 -5.070 0.082 -9.775 1.00 0.00 H new ATOM 193 N ASN A 16 -6.437 6.230 -6.423 1.00 0.00 N ATOM 194 CA ASN A 16 -6.788 6.401 -5.017 1.00 0.00 C ATOM 195 C ASN A 16 -8.255 6.056 -4.776 1.00 0.00 C ATOM 196 O ASN A 16 -9.112 6.939 -4.733 1.00 0.00 O ATOM 197 CB ASN A 16 -6.511 7.837 -4.571 1.00 0.00 C ATOM 198 CG ASN A 16 -5.044 8.204 -4.686 1.00 0.00 C ATOM 199 OD1 ASN A 16 -4.689 9.207 -5.305 1.00 0.00 O ATOM 200 ND2 ASN A 16 -4.183 7.390 -4.087 1.00 0.00 N ATOM 0 H ASN A 16 -6.952 6.835 -7.062 1.00 0.00 H new ATOM 0 HA ASN A 16 -6.172 5.720 -4.430 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -7.103 8.523 -5.176 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -6.835 7.963 -3.538 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -3.183 7.585 -4.129 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -4.522 6.569 -3.585 1.00 0.00 H new ATOM 207 N PHE A 17 -8.537 4.767 -4.620 1.00 0.00 N ATOM 208 CA PHE A 17 -9.900 4.306 -4.383 1.00 0.00 C ATOM 209 C PHE A 17 -10.196 4.226 -2.889 1.00 0.00 C ATOM 210 O PHE A 17 -9.572 3.453 -2.163 1.00 0.00 O ATOM 211 CB PHE A 17 -10.116 2.937 -5.031 1.00 0.00 C ATOM 212 CG PHE A 17 -9.972 2.951 -6.525 1.00 0.00 C ATOM 213 CD1 PHE A 17 -8.727 2.795 -7.115 1.00 0.00 C ATOM 214 CD2 PHE A 17 -11.079 3.119 -7.341 1.00 0.00 C ATOM 215 CE1 PHE A 17 -8.590 2.809 -8.490 1.00 0.00 C ATOM 216 CE2 PHE A 17 -10.948 3.134 -8.716 1.00 0.00 C ATOM 217 CZ PHE A 17 -9.702 2.978 -9.292 1.00 0.00 C ATOM 0 H PHE A 17 -7.840 4.023 -4.653 1.00 0.00 H new ATOM 0 HA PHE A 17 -10.584 5.026 -4.832 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -9.401 2.229 -4.612 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -11.111 2.575 -4.773 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -7.854 2.661 -6.493 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -12.056 3.240 -6.897 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -7.614 2.688 -8.937 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -11.819 3.268 -9.340 1.00 0.00 H new ATOM 0 HZ PHE A 17 -9.598 2.988 -10.367 1.00 0.00 H new ATOM 227 N THR A 18 -11.154 5.029 -2.438 1.00 0.00 N ATOM 228 CA THR A 18 -11.535 5.047 -1.030 1.00 0.00 C ATOM 229 C THR A 18 -12.217 3.742 -0.634 1.00 0.00 C ATOM 230 O THR A 18 -12.395 2.848 -1.461 1.00 0.00 O ATOM 231 CB THR A 18 -12.468 6.227 -0.747 1.00 0.00 C ATOM 232 OG1 THR A 18 -13.500 6.294 -1.714 1.00 0.00 O ATOM 233 CG2 THR A 18 -11.758 7.564 -0.740 1.00 0.00 C ATOM 0 H THR A 18 -11.680 5.675 -3.026 1.00 0.00 H new ATOM 0 HA THR A 18 -10.628 5.158 -0.436 1.00 0.00 H new ATOM 0 HB THR A 18 -12.871 6.043 0.249 1.00 0.00 H new ATOM 0 HG1 THR A 18 -14.086 7.053 -1.515 1.00 0.00 H new ATOM 0 HG21 THR A 18 -12.477 8.357 -0.534 1.00 0.00 H new ATOM 0 HG22 THR A 18 -10.988 7.563 0.031 1.00 0.00 H new ATOM 0 HG23 THR A 18 -11.297 7.736 -1.713 1.00 0.00 H new ATOM 241 N GLU A 19 -12.595 3.639 0.636 1.00 0.00 N ATOM 242 CA GLU A 19 -13.257 2.442 1.142 1.00 0.00 C ATOM 243 C GLU A 19 -14.556 2.179 0.386 1.00 0.00 C ATOM 244 O GLU A 19 -14.879 1.036 0.066 1.00 0.00 O ATOM 245 CB GLU A 19 -13.540 2.586 2.639 1.00 0.00 C ATOM 246 CG GLU A 19 -13.098 1.385 3.459 1.00 0.00 C ATOM 247 CD GLU A 19 -13.640 1.415 4.875 1.00 0.00 C ATOM 248 OE1 GLU A 19 -13.388 2.411 5.585 1.00 0.00 O ATOM 249 OE2 GLU A 19 -14.314 0.443 5.274 1.00 0.00 O ATOM 0 H GLU A 19 -12.454 4.370 1.333 1.00 0.00 H new ATOM 0 HA GLU A 19 -12.591 1.593 0.987 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -13.034 3.476 3.012 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -14.609 2.742 2.785 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -13.430 0.471 2.966 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -12.009 1.353 3.491 1.00 0.00 H new ATOM 256 N GLU A 20 -15.297 3.246 0.106 1.00 0.00 N ATOM 257 CA GLU A 20 -16.562 3.132 -0.612 1.00 0.00 C ATOM 258 C GLU A 20 -16.354 2.496 -1.983 1.00 0.00 C ATOM 259 O GLU A 20 -16.899 1.431 -2.274 1.00 0.00 O ATOM 260 CB GLU A 20 -17.210 4.508 -0.768 1.00 0.00 C ATOM 261 CG GLU A 20 -17.512 5.193 0.555 1.00 0.00 C ATOM 262 CD GLU A 20 -17.718 6.687 0.403 1.00 0.00 C ATOM 263 OE1 GLU A 20 -18.392 7.099 -0.564 1.00 0.00 O ATOM 264 OE2 GLU A 20 -17.204 7.446 1.253 1.00 0.00 O ATOM 0 H GLU A 20 -15.044 4.199 0.365 1.00 0.00 H new ATOM 0 HA GLU A 20 -17.224 2.491 -0.031 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -16.550 5.146 -1.356 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -18.137 4.402 -1.332 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -18.406 4.749 0.994 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -16.692 5.012 1.250 1.00 0.00 H new ATOM 271 N GLU A 21 -15.563 3.157 -2.821 1.00 0.00 N ATOM 272 CA GLU A 21 -15.283 2.656 -4.162 1.00 0.00 C ATOM 273 C GLU A 21 -14.616 1.285 -4.103 1.00 0.00 C ATOM 274 O GLU A 21 -14.788 0.461 -5.001 1.00 0.00 O ATOM 275 CB GLU A 21 -14.389 3.640 -4.920 1.00 0.00 C ATOM 276 CG GLU A 21 -15.163 4.655 -5.745 1.00 0.00 C ATOM 277 CD GLU A 21 -14.277 5.428 -6.702 1.00 0.00 C ATOM 278 OE1 GLU A 21 -13.998 4.909 -7.803 1.00 0.00 O ATOM 279 OE2 GLU A 21 -13.861 6.551 -6.349 1.00 0.00 O ATOM 0 H GLU A 21 -15.105 4.040 -2.596 1.00 0.00 H new ATOM 0 HA GLU A 21 -16.231 2.556 -4.691 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -13.759 4.170 -4.206 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -13.724 3.081 -5.578 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -15.940 4.141 -6.311 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -15.665 5.354 -5.076 1.00 0.00 H new ATOM 286 N TRP A 22 -13.854 1.049 -3.039 1.00 0.00 N ATOM 287 CA TRP A 22 -13.159 -0.221 -2.859 1.00 0.00 C ATOM 288 C TRP A 22 -14.136 -1.392 -2.908 1.00 0.00 C ATOM 289 O TRP A 22 -13.772 -2.502 -3.295 1.00 0.00 O ATOM 290 CB TRP A 22 -12.405 -0.228 -1.528 1.00 0.00 C ATOM 291 CG TRP A 22 -11.468 -1.387 -1.380 1.00 0.00 C ATOM 292 CD1 TRP A 22 -11.607 -2.451 -0.536 1.00 0.00 C ATOM 293 CD2 TRP A 22 -10.245 -1.596 -2.095 1.00 0.00 C ATOM 294 NE1 TRP A 22 -10.544 -3.310 -0.683 1.00 0.00 N ATOM 295 CE2 TRP A 22 -9.695 -2.808 -1.634 1.00 0.00 C ATOM 296 CE3 TRP A 22 -9.562 -0.879 -3.080 1.00 0.00 C ATOM 297 CZ2 TRP A 22 -8.495 -3.316 -2.126 1.00 0.00 C ATOM 298 CZ3 TRP A 22 -8.371 -1.384 -3.568 1.00 0.00 C ATOM 299 CH2 TRP A 22 -7.848 -2.592 -3.090 1.00 0.00 C ATOM 0 H TRP A 22 -13.702 1.722 -2.288 1.00 0.00 H new ATOM 0 HA TRP A 22 -12.446 -0.334 -3.676 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -11.841 0.700 -1.434 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -13.126 -0.247 -0.711 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -12.431 -2.596 0.147 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -10.409 -4.180 -0.168 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -9.957 0.054 -3.454 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -8.090 -4.248 -1.760 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -7.835 -0.838 -4.330 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -6.915 -2.960 -3.491 1.00 0.00 H new ATOM 310 N ASP A 23 -15.380 -1.137 -2.512 1.00 0.00 N ATOM 311 CA ASP A 23 -16.409 -2.168 -2.510 1.00 0.00 C ATOM 312 C ASP A 23 -16.991 -2.365 -3.908 1.00 0.00 C ATOM 313 O ASP A 23 -17.508 -3.434 -4.229 1.00 0.00 O ATOM 314 CB ASP A 23 -17.523 -1.801 -1.527 1.00 0.00 C ATOM 315 CG ASP A 23 -17.981 -2.988 -0.702 1.00 0.00 C ATOM 316 OD1 ASP A 23 -18.287 -4.043 -1.297 1.00 0.00 O ATOM 317 OD2 ASP A 23 -18.035 -2.863 0.540 1.00 0.00 O ATOM 0 H ASP A 23 -15.698 -0.224 -2.188 1.00 0.00 H new ATOM 0 HA ASP A 23 -15.948 -3.105 -2.196 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -17.171 -1.013 -0.861 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -18.372 -1.396 -2.079 1.00 0.00 H new ATOM 322 N LEU A 24 -16.904 -1.326 -4.735 1.00 0.00 N ATOM 323 CA LEU A 24 -17.426 -1.389 -6.096 1.00 0.00 C ATOM 324 C LEU A 24 -16.301 -1.576 -7.111 1.00 0.00 C ATOM 325 O LEU A 24 -16.471 -1.293 -8.296 1.00 0.00 O ATOM 326 CB LEU A 24 -18.213 -0.118 -6.421 1.00 0.00 C ATOM 327 CG LEU A 24 -19.077 0.419 -5.278 1.00 0.00 C ATOM 328 CD1 LEU A 24 -19.273 1.920 -5.417 1.00 0.00 C ATOM 329 CD2 LEU A 24 -20.420 -0.295 -5.245 1.00 0.00 C ATOM 0 H LEU A 24 -16.478 -0.433 -4.487 1.00 0.00 H new ATOM 0 HA LEU A 24 -18.091 -2.250 -6.160 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -17.510 0.659 -6.721 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -18.855 -0.316 -7.279 1.00 0.00 H new ATOM 0 HG LEU A 24 -18.562 0.226 -4.337 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -19.890 2.284 -4.595 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -18.304 2.417 -5.391 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -19.766 2.136 -6.365 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -21.022 0.099 -4.426 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -20.941 -0.134 -6.189 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -20.261 -1.363 -5.097 1.00 0.00 H new ATOM 341 N LEU A 25 -15.153 -2.056 -6.641 1.00 0.00 N ATOM 342 CA LEU A 25 -14.006 -2.281 -7.516 1.00 0.00 C ATOM 343 C LEU A 25 -13.971 -3.724 -8.006 1.00 0.00 C ATOM 344 O LEU A 25 -14.633 -4.597 -7.444 1.00 0.00 O ATOM 345 CB LEU A 25 -12.705 -1.948 -6.783 1.00 0.00 C ATOM 346 CG LEU A 25 -12.284 -0.478 -6.844 1.00 0.00 C ATOM 347 CD1 LEU A 25 -10.946 -0.278 -6.148 1.00 0.00 C ATOM 348 CD2 LEU A 25 -12.211 -0.006 -8.289 1.00 0.00 C ATOM 0 H LEU A 25 -14.992 -2.296 -5.663 1.00 0.00 H new ATOM 0 HA LEU A 25 -14.106 -1.625 -8.380 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -12.811 -2.236 -5.737 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -11.904 -2.557 -7.202 1.00 0.00 H new ATOM 0 HG LEU A 25 -13.034 0.119 -6.324 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -10.662 0.773 -6.201 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -11.030 -0.579 -5.104 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -10.186 -0.885 -6.640 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -11.910 1.041 -8.315 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -11.481 -0.607 -8.832 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -13.189 -0.114 -8.757 1.00 0.00 H new ATOM 360 N ASP A 26 -13.194 -3.969 -9.055 1.00 0.00 N ATOM 361 CA ASP A 26 -13.073 -5.308 -9.621 1.00 0.00 C ATOM 362 C ASP A 26 -11.889 -6.050 -9.010 1.00 0.00 C ATOM 363 O ASP A 26 -11.091 -5.468 -8.275 1.00 0.00 O ATOM 364 CB ASP A 26 -12.916 -5.231 -11.141 1.00 0.00 C ATOM 365 CG ASP A 26 -14.241 -5.354 -11.866 1.00 0.00 C ATOM 366 OD1 ASP A 26 -15.032 -6.253 -11.509 1.00 0.00 O ATOM 367 OD2 ASP A 26 -14.489 -4.551 -12.789 1.00 0.00 O ATOM 0 H ASP A 26 -12.638 -3.258 -9.531 1.00 0.00 H new ATOM 0 HA ASP A 26 -13.984 -5.859 -9.387 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -12.446 -4.284 -11.407 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -12.247 -6.024 -11.475 1.00 0.00 H new ATOM 372 N SER A 27 -11.781 -7.338 -9.321 1.00 0.00 N ATOM 373 CA SER A 27 -10.694 -8.161 -8.802 1.00 0.00 C ATOM 374 C SER A 27 -9.340 -7.635 -9.270 1.00 0.00 C ATOM 375 O SER A 27 -8.337 -7.768 -8.571 1.00 0.00 O ATOM 376 CB SER A 27 -10.872 -9.614 -9.245 1.00 0.00 C ATOM 377 OG SER A 27 -10.375 -10.510 -8.267 1.00 0.00 O ATOM 0 H SER A 27 -12.432 -7.834 -9.929 1.00 0.00 H new ATOM 0 HA SER A 27 -10.723 -8.114 -7.713 1.00 0.00 H new ATOM 0 HB2 SER A 27 -11.928 -9.816 -9.424 1.00 0.00 H new ATOM 0 HB3 SER A 27 -10.352 -9.776 -10.189 1.00 0.00 H new ATOM 0 HG SER A 27 -10.502 -11.432 -8.573 1.00 0.00 H new ATOM 383 N SER A 28 -9.321 -7.040 -10.459 1.00 0.00 N ATOM 384 CA SER A 28 -8.090 -6.494 -11.019 1.00 0.00 C ATOM 385 C SER A 28 -7.689 -5.207 -10.307 1.00 0.00 C ATOM 386 O SER A 28 -6.502 -4.917 -10.149 1.00 0.00 O ATOM 387 CB SER A 28 -8.260 -6.231 -12.516 1.00 0.00 C ATOM 388 OG SER A 28 -8.954 -7.294 -13.146 1.00 0.00 O ATOM 0 H SER A 28 -10.143 -6.924 -11.052 1.00 0.00 H new ATOM 0 HA SER A 28 -7.298 -7.228 -10.873 1.00 0.00 H new ATOM 0 HB2 SER A 28 -8.805 -5.299 -12.665 1.00 0.00 H new ATOM 0 HB3 SER A 28 -7.281 -6.106 -12.980 1.00 0.00 H new ATOM 0 HG SER A 28 -9.051 -7.100 -14.102 1.00 0.00 H new ATOM 394 N GLN A 29 -8.684 -4.439 -9.876 1.00 0.00 N ATOM 395 CA GLN A 29 -8.434 -3.182 -9.179 1.00 0.00 C ATOM 396 C GLN A 29 -7.988 -3.437 -7.744 1.00 0.00 C ATOM 397 O GLN A 29 -7.147 -2.715 -7.206 1.00 0.00 O ATOM 398 CB GLN A 29 -9.691 -2.311 -9.186 1.00 0.00 C ATOM 399 CG GLN A 29 -10.353 -2.206 -10.550 1.00 0.00 C ATOM 400 CD GLN A 29 -9.776 -1.085 -11.392 1.00 0.00 C ATOM 401 OE1 GLN A 29 -10.011 0.153 -10.972 1.00 0.00 O flip ATOM 402 NE2 GLN A 29 -9.126 -1.328 -12.410 1.00 0.00 N flip ATOM 0 H GLN A 29 -9.671 -4.665 -9.997 1.00 0.00 H new ATOM 0 HA GLN A 29 -7.635 -2.658 -9.703 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -10.409 -2.718 -8.474 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -9.431 -1.311 -8.840 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -10.236 -3.151 -11.080 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -11.423 -2.044 -10.419 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -8.969 -2.294 -12.696 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -8.745 -0.563 -12.966 1.00 0.00 H new ATOM 411 N LYS A 30 -8.558 -4.466 -7.128 1.00 0.00 N ATOM 412 CA LYS A 30 -8.224 -4.819 -5.755 1.00 0.00 C ATOM 413 C LYS A 30 -6.791 -5.336 -5.656 1.00 0.00 C ATOM 414 O LYS A 30 -6.149 -5.216 -4.612 1.00 0.00 O ATOM 415 CB LYS A 30 -9.200 -5.876 -5.234 1.00 0.00 C ATOM 416 CG LYS A 30 -10.333 -5.299 -4.402 1.00 0.00 C ATOM 417 CD LYS A 30 -11.255 -6.391 -3.885 1.00 0.00 C ATOM 418 CE LYS A 30 -12.385 -5.816 -3.046 1.00 0.00 C ATOM 419 NZ LYS A 30 -12.983 -6.837 -2.141 1.00 0.00 N ATOM 0 H LYS A 30 -9.256 -5.072 -7.560 1.00 0.00 H new ATOM 0 HA LYS A 30 -8.306 -3.921 -5.142 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -9.621 -6.418 -6.080 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -8.651 -6.601 -4.633 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -9.921 -4.741 -3.561 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -10.905 -4.593 -5.004 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -11.671 -6.946 -4.726 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -10.682 -7.100 -3.288 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -12.009 -4.982 -2.453 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -13.158 -5.417 -3.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -13.749 -6.404 -1.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -13.366 -7.621 -2.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -12.252 -7.200 -1.496 1.00 0.00 H new ATOM 433 N ARG A 31 -6.295 -5.913 -6.747 1.00 0.00 N ATOM 434 CA ARG A 31 -4.940 -6.448 -6.780 1.00 0.00 C ATOM 435 C ARG A 31 -3.940 -5.379 -7.212 1.00 0.00 C ATOM 436 O ARG A 31 -2.824 -5.316 -6.695 1.00 0.00 O ATOM 437 CB ARG A 31 -4.866 -7.644 -7.731 1.00 0.00 C ATOM 438 CG ARG A 31 -3.489 -8.283 -7.800 1.00 0.00 C ATOM 439 CD ARG A 31 -3.469 -9.459 -8.763 1.00 0.00 C ATOM 440 NE ARG A 31 -2.311 -10.325 -8.547 1.00 0.00 N ATOM 441 CZ ARG A 31 -1.087 -10.050 -8.991 1.00 0.00 C ATOM 442 NH1 ARG A 31 -0.855 -8.936 -9.674 1.00 0.00 N ATOM 443 NH2 ARG A 31 -0.092 -10.892 -8.750 1.00 0.00 N ATOM 0 H ARG A 31 -6.812 -6.021 -7.619 1.00 0.00 H new ATOM 0 HA ARG A 31 -4.682 -6.774 -5.773 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.590 -8.395 -7.414 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -5.158 -7.321 -8.730 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -2.757 -7.540 -8.116 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -3.193 -8.620 -6.807 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -4.383 -10.040 -8.644 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.458 -9.088 -9.788 1.00 0.00 H new ATOM 0 HE ARG A 31 -2.449 -11.191 -8.025 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -1.617 -8.285 -9.861 1.00 0.00 H new ATOM 0 HH12 ARG A 31 0.086 -8.731 -10.011 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -0.265 -11.749 -8.225 1.00 0.00 H new ATOM 0 HH22 ARG A 31 0.847 -10.683 -9.090 1.00 0.00 H new ATOM 457 N LEU A 32 -4.346 -4.544 -8.162 1.00 0.00 N ATOM 458 CA LEU A 32 -3.486 -3.480 -8.663 1.00 0.00 C ATOM 459 C LEU A 32 -3.219 -2.439 -7.583 1.00 0.00 C ATOM 460 O LEU A 32 -2.100 -1.946 -7.442 1.00 0.00 O ATOM 461 CB LEU A 32 -4.126 -2.817 -9.883 1.00 0.00 C ATOM 462 CG LEU A 32 -3.906 -3.553 -11.206 1.00 0.00 C ATOM 463 CD1 LEU A 32 -5.127 -3.417 -12.102 1.00 0.00 C ATOM 464 CD2 LEU A 32 -2.665 -3.026 -11.908 1.00 0.00 C ATOM 0 H LEU A 32 -5.266 -4.584 -8.600 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.533 -3.922 -8.954 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.198 -2.726 -9.708 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.732 -1.805 -9.977 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.756 -4.611 -10.991 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.952 -3.947 -13.038 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.996 -3.844 -11.601 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.310 -2.363 -12.310 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.524 -3.561 -12.847 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.786 -1.962 -12.111 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.794 -3.177 -11.270 1.00 0.00 H new ATOM 476 N TYR A 33 -4.256 -2.114 -6.820 1.00 0.00 N ATOM 477 CA TYR A 33 -4.137 -1.134 -5.748 1.00 0.00 C ATOM 478 C TYR A 33 -3.300 -1.688 -4.599 1.00 0.00 C ATOM 479 O TYR A 33 -2.670 -0.934 -3.857 1.00 0.00 O ATOM 480 CB TYR A 33 -5.524 -0.738 -5.238 1.00 0.00 C ATOM 481 CG TYR A 33 -5.503 0.402 -4.245 1.00 0.00 C ATOM 482 CD1 TYR A 33 -5.353 0.161 -2.885 1.00 0.00 C ATOM 483 CD2 TYR A 33 -5.633 1.720 -4.667 1.00 0.00 C ATOM 484 CE1 TYR A 33 -5.333 1.201 -1.974 1.00 0.00 C ATOM 485 CE2 TYR A 33 -5.614 2.764 -3.763 1.00 0.00 C ATOM 486 CZ TYR A 33 -5.465 2.500 -2.418 1.00 0.00 C ATOM 487 OH TYR A 33 -5.445 3.537 -1.515 1.00 0.00 O ATOM 0 H TYR A 33 -5.188 -2.515 -6.924 1.00 0.00 H new ATOM 0 HA TYR A 33 -3.637 -0.251 -6.147 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -6.147 -0.457 -6.087 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -5.992 -1.605 -4.772 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -5.250 -0.855 -2.534 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -5.751 1.931 -5.720 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -5.215 0.997 -0.920 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -5.715 3.782 -4.108 1.00 0.00 H new ATOM 0 HH TYR A 33 -5.549 4.387 -1.991 1.00 0.00 H new ATOM 497 N GLU A 34 -3.300 -3.010 -4.460 1.00 0.00 N ATOM 498 CA GLU A 34 -2.542 -3.667 -3.402 1.00 0.00 C ATOM 499 C GLU A 34 -1.073 -3.809 -3.792 1.00 0.00 C ATOM 500 O GLU A 34 -0.191 -3.814 -2.934 1.00 0.00 O ATOM 501 CB GLU A 34 -3.137 -5.045 -3.103 1.00 0.00 C ATOM 502 CG GLU A 34 -4.126 -5.042 -1.949 1.00 0.00 C ATOM 503 CD GLU A 34 -4.115 -6.342 -1.169 1.00 0.00 C ATOM 504 OE1 GLU A 34 -3.027 -6.938 -1.023 1.00 0.00 O ATOM 505 OE2 GLU A 34 -5.196 -6.766 -0.706 1.00 0.00 O ATOM 0 H GLU A 34 -3.816 -3.647 -5.067 1.00 0.00 H new ATOM 0 HA GLU A 34 -2.603 -3.049 -2.507 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.636 -5.418 -3.997 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -2.328 -5.740 -2.876 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -3.891 -4.217 -1.276 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -5.129 -4.863 -2.336 1.00 0.00 H new ATOM 512 N GLU A 35 -0.818 -3.925 -5.092 1.00 0.00 N ATOM 513 CA GLU A 35 0.543 -4.068 -5.594 1.00 0.00 C ATOM 514 C GLU A 35 1.406 -2.876 -5.190 1.00 0.00 C ATOM 515 O GLU A 35 2.477 -3.042 -4.608 1.00 0.00 O ATOM 516 CB GLU A 35 0.532 -4.212 -7.117 1.00 0.00 C ATOM 517 CG GLU A 35 0.128 -5.597 -7.593 1.00 0.00 C ATOM 518 CD GLU A 35 0.930 -6.058 -8.794 1.00 0.00 C ATOM 519 OE1 GLU A 35 0.662 -5.567 -9.912 1.00 0.00 O ATOM 520 OE2 GLU A 35 1.826 -6.910 -8.618 1.00 0.00 O ATOM 0 H GLU A 35 -1.536 -3.923 -5.816 1.00 0.00 H new ATOM 0 HA GLU A 35 0.973 -4.967 -5.152 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.154 -3.477 -7.538 1.00 0.00 H new ATOM 0 HB3 GLU A 35 1.524 -3.979 -7.503 1.00 0.00 H new ATOM 0 HG2 GLU A 35 0.259 -6.309 -6.778 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -0.932 -5.595 -7.848 1.00 0.00 H new ATOM 527 N VAL A 36 0.932 -1.674 -5.502 1.00 0.00 N ATOM 528 CA VAL A 36 1.662 -0.455 -5.170 1.00 0.00 C ATOM 529 C VAL A 36 1.885 -0.341 -3.666 1.00 0.00 C ATOM 530 O VAL A 36 2.880 0.229 -3.217 1.00 0.00 O ATOM 531 CB VAL A 36 0.918 0.800 -5.664 1.00 0.00 C ATOM 532 CG1 VAL A 36 0.905 0.852 -7.183 1.00 0.00 C ATOM 533 CG2 VAL A 36 -0.499 0.834 -5.108 1.00 0.00 C ATOM 0 H VAL A 36 0.047 -1.518 -5.984 1.00 0.00 H new ATOM 0 HA VAL A 36 2.626 -0.517 -5.675 1.00 0.00 H new ATOM 0 HB VAL A 36 1.448 1.680 -5.300 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.375 1.746 -7.512 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.929 0.880 -7.555 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.402 -0.033 -7.573 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.010 1.727 -5.467 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.041 -0.052 -5.439 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.462 0.851 -4.019 1.00 0.00 H new ATOM 543 N MET A 37 0.952 -0.886 -2.892 1.00 0.00 N ATOM 544 CA MET A 37 1.047 -0.844 -1.436 1.00 0.00 C ATOM 545 C MET A 37 2.171 -1.746 -0.929 1.00 0.00 C ATOM 546 O MET A 37 2.616 -1.614 0.210 1.00 0.00 O ATOM 547 CB MET A 37 -0.282 -1.267 -0.807 1.00 0.00 C ATOM 548 CG MET A 37 -1.356 -0.193 -0.878 1.00 0.00 C ATOM 549 SD MET A 37 -1.443 0.802 0.623 1.00 0.00 S ATOM 550 CE MET A 37 -1.227 2.448 -0.048 1.00 0.00 C ATOM 0 H MET A 37 0.122 -1.361 -3.247 1.00 0.00 H new ATOM 0 HA MET A 37 1.274 0.182 -1.145 1.00 0.00 H new ATOM 0 HB2 MET A 37 -0.643 -2.164 -1.309 1.00 0.00 H new ATOM 0 HB3 MET A 37 -0.113 -1.532 0.237 1.00 0.00 H new ATOM 0 HG2 MET A 37 -1.158 0.458 -1.730 1.00 0.00 H new ATOM 0 HG3 MET A 37 -2.323 -0.663 -1.054 1.00 0.00 H new ATOM 0 HE1 MET A 37 -1.258 3.178 0.761 1.00 0.00 H new ATOM 0 HE2 MET A 37 -0.265 2.510 -0.557 1.00 0.00 H new ATOM 0 HE3 MET A 37 -2.027 2.659 -0.758 1.00 0.00 H new ATOM 560 N LEU A 38 2.627 -2.664 -1.778 1.00 0.00 N ATOM 561 CA LEU A 38 3.696 -3.583 -1.407 1.00 0.00 C ATOM 562 C LEU A 38 5.054 -2.889 -1.452 1.00 0.00 C ATOM 563 O LEU A 38 5.834 -2.969 -0.502 1.00 0.00 O ATOM 564 CB LEU A 38 3.699 -4.796 -2.339 1.00 0.00 C ATOM 565 CG LEU A 38 2.462 -5.690 -2.243 1.00 0.00 C ATOM 566 CD1 LEU A 38 2.501 -6.772 -3.310 1.00 0.00 C ATOM 567 CD2 LEU A 38 2.359 -6.309 -0.857 1.00 0.00 C ATOM 0 H LEU A 38 2.272 -2.790 -2.726 1.00 0.00 H new ATOM 0 HA LEU A 38 3.515 -3.917 -0.386 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.796 -4.445 -3.366 1.00 0.00 H new ATOM 0 HB3 LEU A 38 4.581 -5.398 -2.123 1.00 0.00 H new ATOM 0 HG LEU A 38 1.578 -5.075 -2.412 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.613 -7.398 -3.226 1.00 0.00 H new ATOM 0 HD12 LEU A 38 2.527 -6.309 -4.297 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.392 -7.385 -3.174 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.473 -6.942 -0.806 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.247 -6.910 -0.660 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.283 -5.519 -0.110 1.00 0.00 H new ATOM 579 N GLU A 39 5.332 -2.211 -2.561 1.00 0.00 N ATOM 580 CA GLU A 39 6.598 -1.507 -2.728 1.00 0.00 C ATOM 581 C GLU A 39 6.777 -0.442 -1.649 1.00 0.00 C ATOM 582 O GLU A 39 7.841 -0.337 -1.038 1.00 0.00 O ATOM 583 CB GLU A 39 6.669 -0.865 -4.117 1.00 0.00 C ATOM 584 CG GLU A 39 7.740 -1.470 -5.010 1.00 0.00 C ATOM 585 CD GLU A 39 7.592 -1.054 -6.461 1.00 0.00 C ATOM 586 OE1 GLU A 39 7.981 0.085 -6.794 1.00 0.00 O ATOM 587 OE2 GLU A 39 7.088 -1.868 -7.262 1.00 0.00 O ATOM 0 H GLU A 39 4.698 -2.134 -3.356 1.00 0.00 H new ATOM 0 HA GLU A 39 7.405 -2.233 -2.630 1.00 0.00 H new ATOM 0 HB2 GLU A 39 5.700 -0.966 -4.605 1.00 0.00 H new ATOM 0 HB3 GLU A 39 6.860 0.202 -4.006 1.00 0.00 H new ATOM 0 HG2 GLU A 39 8.723 -1.169 -4.648 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.694 -2.557 -4.941 1.00 0.00 H new ATOM 594 N THR A 40 5.732 0.346 -1.422 1.00 0.00 N ATOM 595 CA THR A 40 5.778 1.403 -0.417 1.00 0.00 C ATOM 596 C THR A 40 5.313 0.885 0.942 1.00 0.00 C ATOM 597 O THR A 40 4.410 1.451 1.559 1.00 0.00 O ATOM 598 CB THR A 40 4.909 2.585 -0.852 1.00 0.00 C ATOM 599 OG1 THR A 40 4.728 2.585 -2.257 1.00 0.00 O ATOM 600 CG2 THR A 40 5.489 3.928 -0.463 1.00 0.00 C ATOM 0 H THR A 40 4.844 0.274 -1.919 1.00 0.00 H new ATOM 0 HA THR A 40 6.812 1.736 -0.322 1.00 0.00 H new ATOM 0 HB THR A 40 3.960 2.453 -0.333 1.00 0.00 H new ATOM 0 HG1 THR A 40 4.168 3.347 -2.515 1.00 0.00 H new ATOM 0 HG21 THR A 40 4.824 4.723 -0.801 1.00 0.00 H new ATOM 0 HG22 THR A 40 5.594 3.979 0.621 1.00 0.00 H new ATOM 0 HG23 THR A 40 6.467 4.051 -0.928 1.00 0.00 H new ATOM 608 N TYR A 41 5.938 -0.194 1.402 1.00 0.00 N ATOM 609 CA TYR A 41 5.590 -0.788 2.688 1.00 0.00 C ATOM 610 C TYR A 41 6.484 -1.988 2.991 1.00 0.00 C ATOM 611 O TYR A 41 7.153 -2.031 4.024 1.00 0.00 O ATOM 612 CB TYR A 41 4.122 -1.217 2.696 1.00 0.00 C ATOM 613 CG TYR A 41 3.438 -1.017 4.030 1.00 0.00 C ATOM 614 CD1 TYR A 41 2.989 0.239 4.420 1.00 0.00 C ATOM 615 CD2 TYR A 41 3.240 -2.083 4.899 1.00 0.00 C ATOM 616 CE1 TYR A 41 2.363 0.426 5.637 1.00 0.00 C ATOM 617 CE2 TYR A 41 2.615 -1.904 6.118 1.00 0.00 C ATOM 618 CZ TYR A 41 2.178 -0.647 6.482 1.00 0.00 C ATOM 619 OH TYR A 41 1.555 -0.465 7.695 1.00 0.00 O ATOM 0 H TYR A 41 6.687 -0.675 0.904 1.00 0.00 H new ATOM 0 HA TYR A 41 5.745 -0.036 3.462 1.00 0.00 H new ATOM 0 HB2 TYR A 41 3.584 -0.654 1.934 1.00 0.00 H new ATOM 0 HB3 TYR A 41 4.059 -2.269 2.419 1.00 0.00 H new ATOM 0 HD1 TYR A 41 3.132 1.083 3.761 1.00 0.00 H new ATOM 0 HD2 TYR A 41 3.580 -3.068 4.617 1.00 0.00 H new ATOM 0 HE1 TYR A 41 2.020 1.409 5.925 1.00 0.00 H new ATOM 0 HE2 TYR A 41 2.469 -2.743 6.782 1.00 0.00 H new ATOM 0 HH TYR A 41 1.503 -1.322 8.168 1.00 0.00 H new ATOM 629 N GLN A 42 6.489 -2.960 2.085 1.00 0.00 N ATOM 630 CA GLN A 42 7.300 -4.161 2.255 1.00 0.00 C ATOM 631 C GLN A 42 8.782 -3.812 2.346 1.00 0.00 C ATOM 632 O GLN A 42 9.561 -4.530 2.972 1.00 0.00 O ATOM 633 CB GLN A 42 7.063 -5.130 1.094 1.00 0.00 C ATOM 634 CG GLN A 42 5.656 -5.704 1.057 1.00 0.00 C ATOM 635 CD GLN A 42 5.344 -6.562 2.268 1.00 0.00 C ATOM 636 OE1 GLN A 42 6.179 -6.726 3.159 1.00 0.00 O ATOM 637 NE2 GLN A 42 4.138 -7.115 2.306 1.00 0.00 N ATOM 0 H GLN A 42 5.941 -2.940 1.225 1.00 0.00 H new ATOM 0 HA GLN A 42 7.002 -4.640 3.187 1.00 0.00 H new ATOM 0 HB2 GLN A 42 7.260 -4.613 0.155 1.00 0.00 H new ATOM 0 HB3 GLN A 42 7.779 -5.949 1.164 1.00 0.00 H new ATOM 0 HG2 GLN A 42 4.936 -4.888 1.000 1.00 0.00 H new ATOM 0 HG3 GLN A 42 5.535 -6.300 0.153 1.00 0.00 H new ATOM 0 HE21 GLN A 42 3.478 -6.952 1.546 1.00 0.00 H new ATOM 0 HE22 GLN A 42 3.871 -7.703 3.096 1.00 0.00 H new ATOM 646 N ASN A 43 9.165 -2.706 1.717 1.00 0.00 N ATOM 647 CA ASN A 43 10.556 -2.263 1.728 1.00 0.00 C ATOM 648 C ASN A 43 10.868 -1.469 2.992 1.00 0.00 C ATOM 649 O ASN A 43 12.014 -1.421 3.439 1.00 0.00 O ATOM 650 CB ASN A 43 10.852 -1.414 0.490 1.00 0.00 C ATOM 651 CG ASN A 43 10.913 -2.244 -0.777 1.00 0.00 C ATOM 652 OD1 ASN A 43 11.967 -2.373 -1.399 1.00 0.00 O ATOM 653 ND2 ASN A 43 9.777 -2.813 -1.168 1.00 0.00 N ATOM 0 H ASN A 43 8.533 -2.100 1.194 1.00 0.00 H new ATOM 0 HA ASN A 43 11.192 -3.148 1.714 1.00 0.00 H new ATOM 0 HB2 ASN A 43 10.082 -0.650 0.384 1.00 0.00 H new ATOM 0 HB3 ASN A 43 11.800 -0.894 0.627 1.00 0.00 H new ATOM 0 HD21 ASN A 43 9.757 -3.383 -2.014 1.00 0.00 H new ATOM 0 HD22 ASN A 43 8.926 -2.680 -0.622 1.00 0.00 H new ATOM 660 N LEU A 44 9.843 -0.845 3.566 1.00 0.00 N ATOM 661 CA LEU A 44 10.013 -0.054 4.780 1.00 0.00 C ATOM 662 C LEU A 44 10.327 -0.952 5.973 1.00 0.00 C ATOM 663 O LEU A 44 11.421 -0.894 6.535 1.00 0.00 O ATOM 664 CB LEU A 44 8.751 0.764 5.063 1.00 0.00 C ATOM 665 CG LEU A 44 8.132 1.447 3.842 1.00 0.00 C ATOM 666 CD1 LEU A 44 6.913 2.261 4.248 1.00 0.00 C ATOM 667 CD2 LEU A 44 9.159 2.331 3.150 1.00 0.00 C ATOM 0 H LEU A 44 8.887 -0.872 3.210 1.00 0.00 H new ATOM 0 HA LEU A 44 10.851 0.626 4.627 1.00 0.00 H new ATOM 0 HB2 LEU A 44 8.004 0.108 5.510 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.990 1.527 5.804 1.00 0.00 H new ATOM 0 HG LEU A 44 7.812 0.677 3.140 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.485 2.740 3.367 1.00 0.00 H new ATOM 0 HD12 LEU A 44 6.170 1.603 4.700 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.208 3.024 4.968 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.702 2.809 2.284 1.00 0.00 H new ATOM 0 HD22 LEU A 44 9.508 3.095 3.844 1.00 0.00 H new ATOM 0 HD23 LEU A 44 10.003 1.723 2.826 1.00 0.00 H new ATOM 679 N THR A 45 9.358 -1.781 6.354 1.00 0.00 N ATOM 680 CA THR A 45 9.522 -2.698 7.481 1.00 0.00 C ATOM 681 C THR A 45 9.442 -1.964 8.821 1.00 0.00 C ATOM 682 O THR A 45 9.627 -2.570 9.876 1.00 0.00 O ATOM 683 CB THR A 45 10.855 -3.445 7.377 1.00 0.00 C ATOM 684 OG1 THR A 45 11.120 -3.810 6.034 1.00 0.00 O ATOM 685 CG2 THR A 45 10.902 -4.704 8.214 1.00 0.00 C ATOM 0 H THR A 45 8.448 -1.837 5.897 1.00 0.00 H new ATOM 0 HA THR A 45 8.703 -3.416 7.438 1.00 0.00 H new ATOM 0 HB THR A 45 11.607 -2.751 7.753 1.00 0.00 H new ATOM 0 HG1 THR A 45 11.976 -4.285 5.987 1.00 0.00 H new ATOM 0 HG21 THR A 45 11.873 -5.184 8.095 1.00 0.00 H new ATOM 0 HG22 THR A 45 10.750 -4.450 9.263 1.00 0.00 H new ATOM 0 HG23 THR A 45 10.117 -5.387 7.889 1.00 0.00 H new ATOM 693 N ASP A 46 9.162 -0.662 8.778 1.00 0.00 N ATOM 694 CA ASP A 46 9.059 0.136 9.997 1.00 0.00 C ATOM 695 C ASP A 46 8.722 1.590 9.679 1.00 0.00 C ATOM 696 O ASP A 46 9.174 2.505 10.367 1.00 0.00 O ATOM 697 CB ASP A 46 10.366 0.068 10.790 1.00 0.00 C ATOM 698 CG ASP A 46 10.135 0.096 12.289 1.00 0.00 C ATOM 699 OD1 ASP A 46 9.383 -0.766 12.789 1.00 0.00 O ATOM 700 OD2 ASP A 46 10.707 0.980 12.962 1.00 0.00 O ATOM 0 H ASP A 46 9.003 -0.140 7.916 1.00 0.00 H new ATOM 0 HA ASP A 46 8.251 -0.280 10.599 1.00 0.00 H new ATOM 0 HB2 ASP A 46 10.902 -0.843 10.525 1.00 0.00 H new ATOM 0 HB3 ASP A 46 11.003 0.906 10.508 1.00 0.00 H new ATOM 705 N ILE A 47 7.927 1.800 8.633 1.00 0.00 N ATOM 706 CA ILE A 47 7.534 3.146 8.231 1.00 0.00 C ATOM 707 C ILE A 47 6.094 3.171 7.729 1.00 0.00 C ATOM 708 O ILE A 47 5.731 4.004 6.899 1.00 0.00 O ATOM 709 CB ILE A 47 8.454 3.702 7.126 1.00 0.00 C ATOM 710 CG1 ILE A 47 9.915 3.337 7.401 1.00 0.00 C ATOM 711 CG2 ILE A 47 8.294 5.211 7.015 1.00 0.00 C ATOM 712 CD1 ILE A 47 10.825 3.552 6.213 1.00 0.00 C ATOM 0 H ILE A 47 7.543 1.056 8.050 1.00 0.00 H new ATOM 0 HA ILE A 47 7.624 3.774 9.117 1.00 0.00 H new ATOM 0 HB ILE A 47 8.163 3.250 6.178 1.00 0.00 H new ATOM 0 HG12 ILE A 47 10.278 3.932 8.239 1.00 0.00 H new ATOM 0 HG13 ILE A 47 9.969 2.292 7.705 1.00 0.00 H new ATOM 0 HG21 ILE A 47 8.950 5.590 6.231 1.00 0.00 H new ATOM 0 HG22 ILE A 47 7.259 5.450 6.770 1.00 0.00 H new ATOM 0 HG23 ILE A 47 8.558 5.676 7.965 1.00 0.00 H new ATOM 0 HD11 ILE A 47 11.844 3.273 6.480 1.00 0.00 H new ATOM 0 HD12 ILE A 47 10.487 2.936 5.380 1.00 0.00 H new ATOM 0 HD13 ILE A 47 10.801 4.602 5.922 1.00 0.00 H new ATOM 724 N GLY A 48 5.277 2.254 8.237 1.00 0.00 N ATOM 725 CA GLY A 48 3.887 2.192 7.825 1.00 0.00 C ATOM 726 C GLY A 48 2.976 2.987 8.738 1.00 0.00 C ATOM 727 O GLY A 48 3.443 3.777 9.559 1.00 0.00 O ATOM 0 H GLY A 48 5.552 1.554 8.926 1.00 0.00 H new ATOM 0 HA2 GLY A 48 3.796 2.570 6.807 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.562 1.152 7.809 1.00 0.00 H new ATOM 731 N TYR A 49 1.671 2.780 8.594 1.00 0.00 N ATOM 732 CA TYR A 49 0.691 3.484 9.413 1.00 0.00 C ATOM 733 C TYR A 49 0.790 4.992 9.203 1.00 0.00 C ATOM 734 O TYR A 49 1.748 5.484 8.607 1.00 0.00 O ATOM 735 CB TYR A 49 0.893 3.144 10.891 1.00 0.00 C ATOM 736 CG TYR A 49 -0.357 2.637 11.574 1.00 0.00 C ATOM 737 CD1 TYR A 49 -0.845 1.363 11.313 1.00 0.00 C ATOM 738 CD2 TYR A 49 -1.049 3.433 12.478 1.00 0.00 C ATOM 739 CE1 TYR A 49 -1.988 0.895 11.934 1.00 0.00 C ATOM 740 CE2 TYR A 49 -2.192 2.972 13.103 1.00 0.00 C ATOM 741 CZ TYR A 49 -2.657 1.705 12.829 1.00 0.00 C ATOM 742 OH TYR A 49 -3.795 1.243 13.450 1.00 0.00 O ATOM 0 H TYR A 49 1.268 2.131 7.918 1.00 0.00 H new ATOM 0 HA TYR A 49 -0.304 3.160 9.108 1.00 0.00 H new ATOM 0 HB2 TYR A 49 1.675 2.390 10.978 1.00 0.00 H new ATOM 0 HB3 TYR A 49 1.247 4.032 11.414 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -0.323 0.727 10.613 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -0.688 4.427 12.696 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -2.355 -0.098 11.720 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -2.719 3.603 13.804 1.00 0.00 H new ATOM 0 HH TYR A 49 -4.144 1.935 14.050 1.00 0.00 H new ATOM 752 N ASN A 50 -0.206 5.719 9.700 1.00 0.00 N ATOM 753 CA ASN A 50 -0.231 7.171 9.567 1.00 0.00 C ATOM 754 C ASN A 50 -1.256 7.786 10.515 1.00 0.00 C ATOM 755 O ASN A 50 -2.424 7.948 10.162 1.00 0.00 O ATOM 756 CB ASN A 50 -0.548 7.568 8.125 1.00 0.00 C ATOM 757 CG ASN A 50 -0.333 9.047 7.872 1.00 0.00 C ATOM 758 OD1 ASN A 50 0.653 9.445 7.250 1.00 0.00 O ATOM 759 ND2 ASN A 50 -1.255 9.871 8.354 1.00 0.00 N ATOM 0 H ASN A 50 -1.005 5.327 10.198 1.00 0.00 H new ATOM 0 HA ASN A 50 0.756 7.552 9.831 1.00 0.00 H new ATOM 0 HB2 ASN A 50 0.080 6.991 7.446 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -1.583 7.310 7.899 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -1.163 10.877 8.215 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -2.056 9.498 8.863 1.00 0.00 H new ATOM 766 N TRP A 51 -0.810 8.128 11.720 1.00 0.00 N ATOM 767 CA TRP A 51 -1.689 8.727 12.720 1.00 0.00 C ATOM 768 C TRP A 51 -1.269 10.161 13.032 1.00 0.00 C ATOM 769 O TRP A 51 -1.577 10.687 14.101 1.00 0.00 O ATOM 770 CB TRP A 51 -1.679 7.891 14.001 1.00 0.00 C ATOM 771 CG TRP A 51 -0.339 7.848 14.670 1.00 0.00 C ATOM 772 CD1 TRP A 51 0.717 7.048 14.337 1.00 0.00 C ATOM 773 CD2 TRP A 51 0.091 8.639 15.784 1.00 0.00 C ATOM 774 NE1 TRP A 51 1.776 7.293 15.177 1.00 0.00 N ATOM 775 CE2 TRP A 51 1.418 8.265 16.074 1.00 0.00 C ATOM 776 CE3 TRP A 51 -0.516 9.626 16.565 1.00 0.00 C ATOM 777 CZ2 TRP A 51 2.145 8.844 17.111 1.00 0.00 C ATOM 778 CZ3 TRP A 51 0.208 10.200 17.594 1.00 0.00 C ATOM 779 CH2 TRP A 51 1.525 9.809 17.858 1.00 0.00 C ATOM 0 H TRP A 51 0.154 8.001 12.028 1.00 0.00 H new ATOM 0 HA TRP A 51 -2.700 8.747 12.312 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -2.412 8.297 14.698 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -1.993 6.874 13.765 1.00 0.00 H new ATOM 0 HD1 TRP A 51 0.719 6.329 13.532 1.00 0.00 H new ATOM 0 HE1 TRP A 51 2.682 6.827 15.139 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -1.532 9.935 16.369 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 3.161 8.543 17.318 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -0.251 10.963 18.204 1.00 0.00 H new ATOM 0 HH2 TRP A 51 2.064 10.278 18.668 1.00 0.00 H new ATOM 790 N GLN A 52 -0.565 10.789 12.094 1.00 0.00 N ATOM 791 CA GLN A 52 -0.106 12.161 12.275 1.00 0.00 C ATOM 792 C GLN A 52 -0.580 13.049 11.128 1.00 0.00 C ATOM 793 O GLN A 52 0.205 13.431 10.260 1.00 0.00 O ATOM 794 CB GLN A 52 1.421 12.203 12.372 1.00 0.00 C ATOM 795 CG GLN A 52 1.964 11.608 13.662 1.00 0.00 C ATOM 796 CD GLN A 52 3.099 10.632 13.422 1.00 0.00 C ATOM 797 OE1 GLN A 52 4.271 11.009 13.436 1.00 0.00 O ATOM 798 NE2 GLN A 52 2.755 9.369 13.201 1.00 0.00 N ATOM 0 H GLN A 52 -0.301 10.370 11.203 1.00 0.00 H new ATOM 0 HA GLN A 52 -0.532 12.540 13.204 1.00 0.00 H new ATOM 0 HB2 GLN A 52 1.846 11.664 11.525 1.00 0.00 H new ATOM 0 HB3 GLN A 52 1.754 13.238 12.290 1.00 0.00 H new ATOM 0 HG2 GLN A 52 2.312 12.412 14.310 1.00 0.00 H new ATOM 0 HG3 GLN A 52 1.158 11.099 14.191 1.00 0.00 H new ATOM 0 HE21 GLN A 52 1.771 9.101 13.199 1.00 0.00 H new ATOM 0 HE22 GLN A 52 3.475 8.666 13.034 1.00 0.00 H new ATOM 807 N ASP A 53 -1.869 13.370 11.131 1.00 0.00 N ATOM 808 CA ASP A 53 -2.448 14.212 10.090 1.00 0.00 C ATOM 809 C ASP A 53 -2.313 15.687 10.446 1.00 0.00 C ATOM 810 O ASP A 53 -2.809 16.136 11.479 1.00 0.00 O ATOM 811 CB ASP A 53 -3.922 13.858 9.881 1.00 0.00 C ATOM 812 CG ASP A 53 -4.705 13.854 11.180 1.00 0.00 C ATOM 813 OD1 ASP A 53 -4.990 14.951 11.705 1.00 0.00 O ATOM 814 OD2 ASP A 53 -5.033 12.754 11.672 1.00 0.00 O ATOM 0 H ASP A 53 -2.532 13.061 11.841 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.902 14.030 9.164 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -4.371 14.573 9.192 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.994 12.876 9.413 1.00 0.00 H new ATOM 819 N HIS A 54 -1.637 16.439 9.583 1.00 0.00 N ATOM 820 CA HIS A 54 -1.436 17.866 9.807 1.00 0.00 C ATOM 821 C HIS A 54 -2.764 18.615 9.766 1.00 0.00 C ATOM 822 O HIS A 54 -3.000 19.526 10.559 1.00 0.00 O ATOM 823 CB HIS A 54 -0.481 18.440 8.759 1.00 0.00 C ATOM 824 CG HIS A 54 0.961 18.351 9.153 1.00 0.00 C ATOM 825 ND1 HIS A 54 1.878 19.344 8.879 1.00 0.00 N ATOM 826 CD2 HIS A 54 1.644 17.380 9.803 1.00 0.00 C ATOM 827 CE1 HIS A 54 3.062 18.987 9.344 1.00 0.00 C ATOM 828 NE2 HIS A 54 2.947 17.800 9.909 1.00 0.00 N ATOM 0 H HIS A 54 -1.219 16.084 8.723 1.00 0.00 H new ATOM 0 HA HIS A 54 -0.997 17.994 10.796 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -0.626 17.910 7.818 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -0.737 19.484 8.579 1.00 0.00 H new ATOM 0 HD2 HIS A 54 1.239 16.448 10.170 1.00 0.00 H new ATOM 0 HE1 HIS A 54 3.970 19.568 9.274 1.00 0.00 H new ATOM 0 HE2 HIS A 54 3.703 17.279 10.353 1.00 0.00 H new ATOM 836 N HIS A 55 -3.631 18.225 8.836 1.00 0.00 N ATOM 837 CA HIS A 55 -4.936 18.860 8.694 1.00 0.00 C ATOM 838 C HIS A 55 -5.836 18.055 7.761 1.00 0.00 C ATOM 839 O HIS A 55 -5.420 17.655 6.673 1.00 0.00 O ATOM 840 CB HIS A 55 -4.777 20.289 8.167 1.00 0.00 C ATOM 841 CG HIS A 55 -5.421 21.321 9.038 1.00 0.00 C ATOM 842 ND1 HIS A 55 -5.479 21.217 10.412 1.00 0.00 N ATOM 843 CD2 HIS A 55 -6.038 22.485 8.726 1.00 0.00 C ATOM 844 CE1 HIS A 55 -6.104 22.270 10.906 1.00 0.00 C ATOM 845 NE2 HIS A 55 -6.452 23.056 9.904 1.00 0.00 N ATOM 0 H HIS A 55 -3.453 17.473 8.170 1.00 0.00 H new ATOM 0 HA HIS A 55 -5.405 18.894 9.678 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -3.715 20.517 8.072 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -5.207 20.349 7.167 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -6.178 22.889 7.734 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -6.298 22.457 11.952 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -6.948 23.943 9.991 1.00 0.00 H new ATOM 853 N ILE A 56 -7.070 17.822 8.195 1.00 0.00 N ATOM 854 CA ILE A 56 -8.030 17.066 7.401 1.00 0.00 C ATOM 855 C ILE A 56 -8.700 17.958 6.360 1.00 0.00 C ATOM 856 O ILE A 56 -9.209 19.031 6.682 1.00 0.00 O ATOM 857 CB ILE A 56 -9.113 16.424 8.293 1.00 0.00 C ATOM 858 CG1 ILE A 56 -10.065 15.568 7.451 1.00 0.00 C ATOM 859 CG2 ILE A 56 -9.882 17.496 9.055 1.00 0.00 C ATOM 860 CD1 ILE A 56 -9.943 14.085 7.721 1.00 0.00 C ATOM 0 H ILE A 56 -7.429 18.146 9.093 1.00 0.00 H new ATOM 0 HA ILE A 56 -7.476 16.276 6.894 1.00 0.00 H new ATOM 0 HB ILE A 56 -8.623 15.775 9.019 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -11.091 15.881 7.646 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -9.870 15.754 6.395 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -10.642 17.025 9.679 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -9.193 18.059 9.685 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -10.362 18.172 8.347 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -10.646 13.541 7.090 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -8.928 13.757 7.499 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -10.167 13.886 8.769 1.00 0.00 H new ATOM 872 N GLU A 57 -8.696 17.506 5.110 1.00 0.00 N ATOM 873 CA GLU A 57 -9.302 18.264 4.021 1.00 0.00 C ATOM 874 C GLU A 57 -10.804 18.013 3.951 1.00 0.00 C ATOM 875 O GLU A 57 -11.606 18.914 4.201 1.00 0.00 O ATOM 876 CB GLU A 57 -8.648 17.893 2.688 1.00 0.00 C ATOM 877 CG GLU A 57 -8.864 18.928 1.596 1.00 0.00 C ATOM 878 CD GLU A 57 -9.926 18.510 0.598 1.00 0.00 C ATOM 879 OE1 GLU A 57 -11.050 18.180 1.031 1.00 0.00 O ATOM 880 OE2 GLU A 57 -9.633 18.512 -0.616 1.00 0.00 O ATOM 0 H GLU A 57 -8.280 16.619 4.826 1.00 0.00 H new ATOM 0 HA GLU A 57 -9.139 19.324 4.216 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -7.577 17.758 2.843 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -9.044 16.935 2.352 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -9.151 19.876 2.051 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -7.924 19.098 1.071 1.00 0.00 H new ATOM 887 N GLU A 58 -11.180 16.785 3.608 1.00 0.00 N ATOM 888 CA GLU A 58 -12.588 16.418 3.504 1.00 0.00 C ATOM 889 C GLU A 58 -13.140 15.984 4.859 1.00 0.00 C ATOM 890 O GLU A 58 -12.690 14.994 5.435 1.00 0.00 O ATOM 891 CB GLU A 58 -12.769 15.294 2.483 1.00 0.00 C ATOM 892 CG GLU A 58 -14.111 15.329 1.771 1.00 0.00 C ATOM 893 CD GLU A 58 -14.376 16.658 1.093 1.00 0.00 C ATOM 894 OE1 GLU A 58 -13.411 17.276 0.599 1.00 0.00 O ATOM 895 OE2 GLU A 58 -15.551 17.081 1.055 1.00 0.00 O ATOM 0 H GLU A 58 -10.530 16.028 3.397 1.00 0.00 H new ATOM 0 HA GLU A 58 -13.142 17.295 3.171 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -11.972 15.356 1.742 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -12.660 14.334 2.988 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -14.145 14.533 1.027 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -14.905 15.127 2.490 1.00 0.00 H new ATOM 902 N SER A 59 -14.120 16.730 5.359 1.00 0.00 N ATOM 903 CA SER A 59 -14.736 16.423 6.645 1.00 0.00 C ATOM 904 C SER A 59 -15.856 17.409 6.960 1.00 0.00 C ATOM 905 O SER A 59 -16.027 17.825 8.106 1.00 0.00 O ATOM 906 CB SER A 59 -13.686 16.452 7.758 1.00 0.00 C ATOM 907 OG SER A 59 -12.880 17.615 7.671 1.00 0.00 O ATOM 0 H SER A 59 -14.505 17.552 4.893 1.00 0.00 H new ATOM 0 HA SER A 59 -15.163 15.422 6.585 1.00 0.00 H new ATOM 0 HB2 SER A 59 -14.180 16.420 8.729 1.00 0.00 H new ATOM 0 HB3 SER A 59 -13.057 15.564 7.692 1.00 0.00 H new ATOM 0 HG SER A 59 -12.579 17.872 8.567 1.00 0.00 H new ATOM 913 N GLY A 60 -16.616 17.780 5.936 1.00 0.00 N ATOM 914 CA GLY A 60 -17.711 18.713 6.123 1.00 0.00 C ATOM 915 C GLY A 60 -18.997 18.242 5.468 1.00 0.00 C ATOM 916 O GLY A 60 -18.958 17.593 4.422 1.00 0.00 O ATOM 0 H GLY A 60 -16.493 17.451 4.978 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -17.882 18.857 7.190 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -17.432 19.683 5.711 1.00 0.00 H new ATOM 920 N PRO A 61 -20.161 18.554 6.062 1.00 0.00 N ATOM 921 CA PRO A 61 -21.461 18.147 5.515 1.00 0.00 C ATOM 922 C PRO A 61 -21.634 18.570 4.060 1.00 0.00 C ATOM 923 O PRO A 61 -21.093 19.588 3.630 1.00 0.00 O ATOM 924 CB PRO A 61 -22.468 18.877 6.407 1.00 0.00 C ATOM 925 CG PRO A 61 -21.744 19.116 7.687 1.00 0.00 C ATOM 926 CD PRO A 61 -20.303 19.324 7.312 1.00 0.00 C ATOM 0 HA PRO A 61 -21.581 17.064 5.514 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -22.790 19.815 5.954 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -23.363 18.276 6.566 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -22.143 19.988 8.204 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -21.853 18.267 8.362 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -20.075 20.379 7.162 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -19.629 18.959 8.087 1.00 0.00 H new ATOM 934 N SER A 62 -22.395 17.781 3.308 1.00 0.00 N ATOM 935 CA SER A 62 -22.643 18.073 1.900 1.00 0.00 C ATOM 936 C SER A 62 -24.115 18.393 1.665 1.00 0.00 C ATOM 937 O SER A 62 -24.950 17.491 1.581 1.00 0.00 O ATOM 938 CB SER A 62 -22.220 16.889 1.029 1.00 0.00 C ATOM 939 OG SER A 62 -21.891 17.312 -0.283 1.00 0.00 O ATOM 0 H SER A 62 -22.851 16.935 3.650 1.00 0.00 H new ATOM 0 HA SER A 62 -22.051 18.945 1.625 1.00 0.00 H new ATOM 0 HB2 SER A 62 -21.362 16.391 1.480 1.00 0.00 H new ATOM 0 HB3 SER A 62 -23.027 16.158 0.987 1.00 0.00 H new ATOM 0 HG SER A 62 -21.622 16.537 -0.819 1.00 0.00 H new ATOM 945 N SER A 63 -24.427 19.681 1.557 1.00 0.00 N ATOM 946 CA SER A 63 -25.799 20.122 1.331 1.00 0.00 C ATOM 947 C SER A 63 -26.703 19.706 2.487 1.00 0.00 C ATOM 948 O SER A 63 -26.474 18.682 3.131 1.00 0.00 O ATOM 949 CB SER A 63 -26.334 19.548 0.017 1.00 0.00 C ATOM 950 OG SER A 63 -25.779 20.223 -1.098 1.00 0.00 O ATOM 0 H SER A 63 -23.747 20.438 1.622 1.00 0.00 H new ATOM 0 HA SER A 63 -25.797 21.210 1.269 1.00 0.00 H new ATOM 0 HB2 SER A 63 -26.097 18.486 -0.042 1.00 0.00 H new ATOM 0 HB3 SER A 63 -27.420 19.634 -0.006 1.00 0.00 H new ATOM 0 HG SER A 63 -26.135 19.836 -1.925 1.00 0.00 H new ATOM 956 N GLY A 64 -27.732 20.507 2.745 1.00 0.00 N ATOM 957 CA GLY A 64 -28.654 20.205 3.823 1.00 0.00 C ATOM 958 C GLY A 64 -28.346 20.985 5.085 1.00 0.00 C ATOM 959 O GLY A 64 -29.269 21.631 5.625 1.00 0.00 O ATOM 960 OXT GLY A 64 -27.181 20.951 5.536 1.00 0.00 O ATOM 0 H GLY A 64 -27.943 21.360 2.226 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -29.671 20.429 3.500 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -28.616 19.138 4.041 1.00 0.00 H new TER 964 GLY A 64