USER MOD reduce.3.24.130724 H: found=0, std=0, add=478, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 472 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 62 HIS : no HD1:sc= 0 X(o=-0.18,f=-0.0065) USER MOD Set 1.2: A 63 HIS : no HD1:sc= -0.176 X(o=-0.18,f=-0.0065) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -146:sc= -0.159 (180deg=-1.06) USER MOD Single : A 9 ASN :FLIP amide:sc= -0.0657 F(o=-1,f=-0.066) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.246 K(o=-0.25,f=-0.93) USER MOD Single : A 16 GLN : amide:sc= 0.0791 X(o=0.079,f=0) USER MOD Single : A 17 SER OG : rot -73:sc= 0.601 USER MOD Single : A 19 CYS SG : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.21) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.0152 USER MOD Single : A 44 THR OG1 : rot -170:sc= -0.0483 USER MOD Single : A 46 ASN :FLIP amide:sc= -1.32! C(o=-3.3!,f=-1.3!) USER MOD Single : A 52 THR OG1 : rot -3:sc= 1.23 USER MOD Single : A 56 LYS NZ :NH3+ -146:sc= -0.287 (180deg=-1.17!) USER MOD Single : A 57 LYS NZ :NH3+ -151:sc= -0.0466 (180deg=-0.562) USER MOD Single : A 59 HIS : no HD1:sc= -1.3 K(o=-1.3,f=-2.3!) USER MOD Single : A 60 HIS :FLIP no HD1:sc= -0.0713 F(o=-1.5,f=-0.071) USER MOD Single : A 61 HIS : no HE2:sc= 0.114 K(o=0.11,f=-0.6) USER MOD Single : A 64 HIS : no HD1:sc= -0.14 X(o=-0.14,f=-0.076) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 35.844 -3.844 5.588 1.00 1.00 N ATOM 2 CA MET A 1 35.459 -3.424 6.965 1.00 1.00 C ATOM 3 C MET A 1 36.502 -2.453 7.507 1.00 1.00 C ATOM 4 O MET A 1 37.541 -2.866 8.020 1.00 1.00 O ATOM 5 CB MET A 1 35.376 -4.657 7.867 1.00 1.00 C ATOM 6 CG MET A 1 34.279 -5.593 7.353 1.00 1.00 C ATOM 7 SD MET A 1 34.869 -7.303 7.409 1.00 1.00 S ATOM 8 CE MET A 1 33.801 -7.955 6.102 1.00 1.00 C ATOM 0 H1 MET A 1 34.987 -3.989 5.017 1.00 1.00 H new ATOM 0 H2 MET A 1 36.430 -3.105 5.151 1.00 1.00 H new ATOM 0 H3 MET A 1 36.384 -4.732 5.634 1.00 1.00 H new ATOM 0 HA MET A 1 34.487 -2.931 6.942 1.00 1.00 H new ATOM 0 HB2 MET A 1 36.334 -5.176 7.881 1.00 1.00 H new ATOM 0 HB3 MET A 1 35.161 -4.357 8.893 1.00 1.00 H new ATOM 0 HG2 MET A 1 33.381 -5.487 7.962 1.00 1.00 H new ATOM 0 HG3 MET A 1 34.006 -5.325 6.332 1.00 1.00 H new ATOM 0 HE1 MET A 1 34.001 -9.018 5.965 1.00 1.00 H new ATOM 0 HE2 MET A 1 32.757 -7.815 6.382 1.00 1.00 H new ATOM 0 HE3 MET A 1 34.001 -7.425 5.171 1.00 1.00 H new ATOM 20 N GLU A 2 36.217 -1.160 7.389 1.00 1.00 N ATOM 21 CA GLU A 2 37.139 -0.138 7.872 1.00 1.00 C ATOM 22 C GLU A 2 37.258 -0.198 9.391 1.00 1.00 C ATOM 23 O GLU A 2 36.335 -0.634 10.079 1.00 1.00 O ATOM 24 CB GLU A 2 36.648 1.249 7.450 1.00 1.00 C ATOM 25 CG GLU A 2 35.213 1.453 7.938 1.00 1.00 C ATOM 26 CD GLU A 2 34.271 1.586 6.746 1.00 1.00 C ATOM 27 OE1 GLU A 2 34.164 0.634 5.991 1.00 1.00 O ATOM 28 OE2 GLU A 2 33.671 2.639 6.606 1.00 1.00 O ATOM 0 H GLU A 2 35.362 -0.797 6.967 1.00 1.00 H new ATOM 0 HA GLU A 2 38.120 -0.324 7.435 1.00 1.00 H new ATOM 0 HB2 GLU A 2 37.298 2.019 7.867 1.00 1.00 H new ATOM 0 HB3 GLU A 2 36.692 1.347 6.365 1.00 1.00 H new ATOM 0 HG2 GLU A 2 34.909 0.612 8.560 1.00 1.00 H new ATOM 0 HG3 GLU A 2 35.155 2.347 8.559 1.00 1.00 H new ATOM 35 N GLU A 3 38.399 0.244 9.908 1.00 1.00 N ATOM 36 CA GLU A 3 38.628 0.235 11.348 1.00 1.00 C ATOM 37 C GLU A 3 38.432 -1.167 11.914 1.00 1.00 C ATOM 38 O GLU A 3 37.354 -1.503 12.404 1.00 1.00 O ATOM 39 CB GLU A 3 37.665 1.205 12.035 1.00 1.00 C ATOM 40 CG GLU A 3 37.748 2.574 11.358 1.00 1.00 C ATOM 41 CD GLU A 3 36.998 3.612 12.187 1.00 1.00 C ATOM 42 OE1 GLU A 3 35.893 3.317 12.610 1.00 1.00 O ATOM 43 OE2 GLU A 3 37.541 4.687 12.386 1.00 1.00 O ATOM 0 H GLU A 3 39.175 0.611 9.356 1.00 1.00 H new ATOM 0 HA GLU A 3 39.655 0.548 11.536 1.00 1.00 H new ATOM 0 HB2 GLU A 3 36.646 0.822 11.980 1.00 1.00 H new ATOM 0 HB3 GLU A 3 37.915 1.295 13.092 1.00 1.00 H new ATOM 0 HG2 GLU A 3 38.791 2.871 11.246 1.00 1.00 H new ATOM 0 HG3 GLU A 3 37.322 2.520 10.356 1.00 1.00 H new ATOM 50 N GLY A 4 39.480 -1.980 11.843 1.00 1.00 N ATOM 51 CA GLY A 4 39.411 -3.345 12.352 1.00 1.00 C ATOM 52 C GLY A 4 40.689 -3.713 13.100 1.00 1.00 C ATOM 53 O GLY A 4 40.639 -4.212 14.224 1.00 1.00 O ATOM 0 H GLY A 4 40.381 -1.721 11.441 1.00 1.00 H new ATOM 0 HA2 GLY A 4 38.554 -3.446 13.017 1.00 1.00 H new ATOM 0 HA3 GLY A 4 39.256 -4.038 11.525 1.00 1.00 H new ATOM 57 N GLY A 5 41.831 -3.463 12.469 1.00 1.00 N ATOM 58 CA GLY A 5 43.116 -3.773 13.084 1.00 1.00 C ATOM 59 C GLY A 5 44.123 -4.239 12.038 1.00 1.00 C ATOM 60 O GLY A 5 44.082 -3.803 10.887 1.00 1.00 O ATOM 0 H GLY A 5 41.893 -3.050 11.539 1.00 1.00 H new ATOM 0 HA2 GLY A 5 43.500 -2.891 13.597 1.00 1.00 H new ATOM 0 HA3 GLY A 5 42.985 -4.548 13.839 1.00 1.00 H new ATOM 64 N ASP A 6 45.025 -5.125 12.445 1.00 1.00 N ATOM 65 CA ASP A 6 46.039 -5.643 11.534 1.00 1.00 C ATOM 66 C ASP A 6 46.912 -4.510 11.004 1.00 1.00 C ATOM 67 O ASP A 6 47.088 -4.364 9.794 1.00 1.00 O ATOM 68 CB ASP A 6 45.369 -6.365 10.364 1.00 1.00 C ATOM 69 CG ASP A 6 44.143 -7.127 10.854 1.00 1.00 C ATOM 70 OD1 ASP A 6 44.322 -8.109 11.556 1.00 1.00 O ATOM 71 OD2 ASP A 6 43.043 -6.718 10.521 1.00 1.00 O ATOM 0 H ASP A 6 45.075 -5.498 13.393 1.00 1.00 H new ATOM 0 HA ASP A 6 46.668 -6.345 12.081 1.00 1.00 H new ATOM 0 HB2 ASP A 6 45.078 -5.644 9.600 1.00 1.00 H new ATOM 0 HB3 ASP A 6 46.074 -7.054 9.900 1.00 1.00 H new ATOM 76 N PHE A 7 47.454 -3.711 11.917 1.00 1.00 N ATOM 77 CA PHE A 7 48.307 -2.594 11.530 1.00 1.00 C ATOM 78 C PHE A 7 49.719 -3.084 11.215 1.00 1.00 C ATOM 79 O PHE A 7 50.709 -2.439 11.559 1.00 1.00 O ATOM 80 CB PHE A 7 48.350 -1.558 12.659 1.00 1.00 C ATOM 81 CG PHE A 7 48.281 -0.166 12.075 1.00 1.00 C ATOM 82 CD1 PHE A 7 49.073 0.174 10.972 1.00 1.00 C ATOM 83 CD2 PHE A 7 47.422 0.785 12.638 1.00 1.00 C ATOM 84 CE1 PHE A 7 49.008 1.464 10.432 1.00 1.00 C ATOM 85 CE2 PHE A 7 47.357 2.076 12.100 1.00 1.00 C ATOM 86 CZ PHE A 7 48.150 2.415 10.997 1.00 1.00 C ATOM 0 H PHE A 7 47.319 -3.815 12.923 1.00 1.00 H new ATOM 0 HA PHE A 7 47.893 -2.131 10.634 1.00 1.00 H new ATOM 0 HB2 PHE A 7 47.517 -1.717 13.344 1.00 1.00 H new ATOM 0 HB3 PHE A 7 49.266 -1.675 13.238 1.00 1.00 H new ATOM 0 HD1 PHE A 7 49.735 -0.560 10.537 1.00 1.00 H new ATOM 0 HD2 PHE A 7 46.809 0.523 13.488 1.00 1.00 H new ATOM 0 HE1 PHE A 7 49.619 1.725 9.581 1.00 1.00 H new ATOM 0 HE2 PHE A 7 46.695 2.810 12.536 1.00 1.00 H new ATOM 0 HZ PHE A 7 48.100 3.411 10.582 1.00 1.00 H new ATOM 96 N ASP A 8 49.800 -4.234 10.553 1.00 1.00 N ATOM 97 CA ASP A 8 51.093 -4.807 10.193 1.00 1.00 C ATOM 98 C ASP A 8 50.986 -5.591 8.889 1.00 1.00 C ATOM 99 O ASP A 8 51.774 -6.502 8.634 1.00 1.00 O ATOM 100 CB ASP A 8 51.584 -5.731 11.308 1.00 1.00 C ATOM 101 CG ASP A 8 52.144 -4.905 12.461 1.00 1.00 C ATOM 102 OD1 ASP A 8 51.360 -4.475 13.292 1.00 1.00 O ATOM 103 OD2 ASP A 8 53.348 -4.714 12.496 1.00 1.00 O ATOM 0 H ASP A 8 48.993 -4.784 10.257 1.00 1.00 H new ATOM 0 HA ASP A 8 51.805 -3.993 10.057 1.00 1.00 H new ATOM 0 HB2 ASP A 8 50.764 -6.355 11.662 1.00 1.00 H new ATOM 0 HB3 ASP A 8 52.352 -6.402 10.924 1.00 1.00 H new ATOM 108 N ASN A 9 50.005 -5.232 8.067 1.00 1.00 N ATOM 109 CA ASN A 9 49.804 -5.911 6.792 1.00 1.00 C ATOM 110 C ASN A 9 51.107 -5.958 5.999 1.00 1.00 C ATOM 111 O ASN A 9 51.621 -7.034 5.695 1.00 1.00 O ATOM 112 CB ASN A 9 48.735 -5.183 5.975 1.00 1.00 C ATOM 113 CG ASN A 9 47.416 -5.167 6.740 1.00 1.00 C ATOM 114 OD1 ASN A 9 47.069 -6.207 7.446 1.00 1.00 O flip ATOM 115 ND2 ASN A 9 46.682 -4.178 6.692 1.00 1.00 N flip ATOM 0 H ASN A 9 49.342 -4.481 8.259 1.00 1.00 H new ATOM 0 HA ASN A 9 49.476 -6.931 6.993 1.00 1.00 H new ATOM 0 HB2 ASN A 9 49.057 -4.163 5.767 1.00 1.00 H new ATOM 0 HB3 ASN A 9 48.601 -5.678 5.013 1.00 1.00 H new ATOM 0 HD21 ASN A 9 46.956 -3.366 6.139 1.00 1.00 H new ATOM 0 HD22 ASN A 9 45.801 -4.172 7.205 1.00 1.00 H new ATOM 122 N TYR A 10 51.634 -4.785 5.666 1.00 1.00 N ATOM 123 CA TYR A 10 52.875 -4.702 4.908 1.00 1.00 C ATOM 124 C TYR A 10 54.065 -5.108 5.776 1.00 1.00 C ATOM 125 O TYR A 10 55.143 -4.521 5.690 1.00 1.00 O ATOM 126 CB TYR A 10 53.069 -3.275 4.384 1.00 1.00 C ATOM 127 CG TYR A 10 53.569 -3.320 2.960 1.00 1.00 C ATOM 128 CD1 TYR A 10 54.613 -4.184 2.608 1.00 1.00 C ATOM 129 CD2 TYR A 10 52.986 -2.496 1.990 1.00 1.00 C ATOM 130 CE1 TYR A 10 55.075 -4.224 1.287 1.00 1.00 C ATOM 131 CE2 TYR A 10 53.447 -2.535 0.669 1.00 1.00 C ATOM 132 CZ TYR A 10 54.491 -3.399 0.317 1.00 1.00 C ATOM 133 OH TYR A 10 54.946 -3.438 -0.986 1.00 1.00 O ATOM 0 H TYR A 10 51.223 -3.883 5.908 1.00 1.00 H new ATOM 0 HA TYR A 10 52.815 -5.390 4.064 1.00 1.00 H new ATOM 0 HB2 TYR A 10 52.127 -2.728 4.432 1.00 1.00 H new ATOM 0 HB3 TYR A 10 53.781 -2.740 5.013 1.00 1.00 H new ATOM 0 HD1 TYR A 10 55.062 -4.820 3.356 1.00 1.00 H new ATOM 0 HD2 TYR A 10 52.180 -1.830 2.261 1.00 1.00 H new ATOM 0 HE1 TYR A 10 55.881 -4.890 1.016 1.00 1.00 H new ATOM 0 HE2 TYR A 10 52.997 -1.899 -0.079 1.00 1.00 H new ATOM 0 HH TYR A 10 54.433 -2.805 -1.531 1.00 1.00 H new ATOM 143 N TYR A 11 53.859 -6.119 6.612 1.00 1.00 N ATOM 144 CA TYR A 11 54.918 -6.600 7.491 1.00 1.00 C ATOM 145 C TYR A 11 54.521 -7.927 8.130 1.00 1.00 C ATOM 146 O TYR A 11 54.767 -8.155 9.314 1.00 1.00 O ATOM 147 CB TYR A 11 55.198 -5.567 8.585 1.00 1.00 C ATOM 148 CG TYR A 11 56.468 -5.936 9.315 1.00 1.00 C ATOM 149 CD1 TYR A 11 57.711 -5.717 8.711 1.00 1.00 C ATOM 150 CD2 TYR A 11 56.401 -6.498 10.596 1.00 1.00 C ATOM 151 CE1 TYR A 11 58.888 -6.059 9.387 1.00 1.00 C ATOM 152 CE2 TYR A 11 57.578 -6.840 11.272 1.00 1.00 C ATOM 153 CZ TYR A 11 58.821 -6.621 10.668 1.00 1.00 C ATOM 154 OH TYR A 11 59.982 -6.957 11.334 1.00 1.00 O ATOM 0 H TYR A 11 52.974 -6.619 6.700 1.00 1.00 H new ATOM 0 HA TYR A 11 55.819 -6.751 6.896 1.00 1.00 H new ATOM 0 HB2 TYR A 11 55.294 -4.574 8.146 1.00 1.00 H new ATOM 0 HB3 TYR A 11 54.363 -5.527 9.284 1.00 1.00 H new ATOM 0 HD1 TYR A 11 57.762 -5.284 7.723 1.00 1.00 H new ATOM 0 HD2 TYR A 11 55.442 -6.667 11.062 1.00 1.00 H new ATOM 0 HE1 TYR A 11 59.847 -5.890 8.921 1.00 1.00 H new ATOM 0 HE2 TYR A 11 57.527 -7.273 12.260 1.00 1.00 H new ATOM 0 HH TYR A 11 59.759 -7.334 12.211 1.00 1.00 H new ATOM 164 N GLY A 12 53.905 -8.795 7.337 1.00 1.00 N ATOM 165 CA GLY A 12 53.476 -10.098 7.833 1.00 1.00 C ATOM 166 C GLY A 12 52.207 -10.557 7.125 1.00 1.00 C ATOM 167 O GLY A 12 51.414 -11.317 7.683 1.00 1.00 O ATOM 0 H GLY A 12 53.692 -8.623 6.354 1.00 1.00 H new ATOM 0 HA2 GLY A 12 54.269 -10.830 7.678 1.00 1.00 H new ATOM 0 HA3 GLY A 12 53.299 -10.043 8.907 1.00 1.00 H new ATOM 171 N ALA A 13 52.025 -10.092 5.893 1.00 1.00 N ATOM 172 CA ALA A 13 50.850 -10.456 5.108 1.00 1.00 C ATOM 173 C ALA A 13 51.247 -11.354 3.939 1.00 1.00 C ATOM 174 O ALA A 13 50.503 -12.257 3.557 1.00 1.00 O ATOM 175 CB ALA A 13 50.167 -9.195 4.575 1.00 1.00 C ATOM 0 H ALA A 13 52.674 -9.464 5.418 1.00 1.00 H new ATOM 0 HA ALA A 13 50.158 -10.999 5.752 1.00 1.00 H new ATOM 0 HB1 ALA A 13 49.291 -9.475 3.990 1.00 1.00 H new ATOM 0 HB2 ALA A 13 49.859 -8.567 5.411 1.00 1.00 H new ATOM 0 HB3 ALA A 13 50.863 -8.643 3.944 1.00 1.00 H new ATOM 181 N ASP A 14 52.423 -11.097 3.377 1.00 1.00 N ATOM 182 CA ASP A 14 52.910 -11.889 2.253 1.00 1.00 C ATOM 183 C ASP A 14 53.724 -13.079 2.749 1.00 1.00 C ATOM 184 O ASP A 14 53.746 -14.135 2.117 1.00 1.00 O ATOM 185 CB ASP A 14 53.776 -11.021 1.339 1.00 1.00 C ATOM 186 CG ASP A 14 52.912 -9.978 0.637 1.00 1.00 C ATOM 187 OD1 ASP A 14 51.845 -10.340 0.169 1.00 1.00 O ATOM 188 OD2 ASP A 14 53.330 -8.834 0.577 1.00 1.00 O ATOM 0 H ASP A 14 53.052 -10.353 3.678 1.00 1.00 H new ATOM 0 HA ASP A 14 52.050 -12.259 1.694 1.00 1.00 H new ATOM 0 HB2 ASP A 14 54.554 -10.528 1.922 1.00 1.00 H new ATOM 0 HB3 ASP A 14 54.279 -11.645 0.600 1.00 1.00 H new ATOM 193 N ASN A 15 54.391 -12.900 3.884 1.00 1.00 N ATOM 194 CA ASN A 15 55.204 -13.966 4.457 1.00 1.00 C ATOM 195 C ASN A 15 54.420 -15.274 4.497 1.00 1.00 C ATOM 196 O ASN A 15 55.002 -16.359 4.485 1.00 1.00 O ATOM 197 CB ASN A 15 55.640 -13.587 5.873 1.00 1.00 C ATOM 198 CG ASN A 15 56.873 -12.692 5.817 1.00 1.00 C ATOM 199 OD1 ASN A 15 57.801 -12.958 5.054 1.00 1.00 O ATOM 200 ND2 ASN A 15 56.940 -11.640 6.587 1.00 1.00 N ATOM 0 H ASN A 15 54.385 -12.033 4.422 1.00 1.00 H new ATOM 0 HA ASN A 15 56.085 -14.102 3.830 1.00 1.00 H new ATOM 0 HB2 ASN A 15 54.829 -13.071 6.386 1.00 1.00 H new ATOM 0 HB3 ASN A 15 55.859 -14.487 6.448 1.00 1.00 H new ATOM 0 HD21 ASN A 15 57.762 -11.037 6.557 1.00 1.00 H new ATOM 0 HD22 ASN A 15 56.170 -11.421 7.219 1.00 1.00 H new ATOM 207 N GLN A 16 53.097 -15.164 4.545 1.00 1.00 N ATOM 208 CA GLN A 16 52.242 -16.344 4.588 1.00 1.00 C ATOM 209 C GLN A 16 51.969 -16.858 3.177 1.00 1.00 C ATOM 210 O GLN A 16 51.910 -18.066 2.948 1.00 1.00 O ATOM 211 CB GLN A 16 50.917 -16.007 5.274 1.00 1.00 C ATOM 212 CG GLN A 16 51.189 -15.540 6.705 1.00 1.00 C ATOM 213 CD GLN A 16 49.881 -15.141 7.380 1.00 1.00 C ATOM 214 OE1 GLN A 16 49.105 -16.003 7.792 1.00 1.00 O ATOM 215 NE2 GLN A 16 49.587 -13.876 7.515 1.00 1.00 N ATOM 0 H GLN A 16 52.596 -14.276 4.555 1.00 1.00 H new ATOM 0 HA GLN A 16 52.756 -17.121 5.154 1.00 1.00 H new ATOM 0 HB2 GLN A 16 50.395 -15.228 4.719 1.00 1.00 H new ATOM 0 HB3 GLN A 16 50.267 -16.882 5.283 1.00 1.00 H new ATOM 0 HG2 GLN A 16 51.672 -16.337 7.271 1.00 1.00 H new ATOM 0 HG3 GLN A 16 51.876 -14.694 6.696 1.00 1.00 H new ATOM 0 HE21 GLN A 16 50.232 -13.163 7.173 1.00 1.00 H new ATOM 0 HE22 GLN A 16 48.713 -13.601 7.963 1.00 1.00 H new ATOM 224 N SER A 17 51.806 -15.933 2.238 1.00 1.00 N ATOM 225 CA SER A 17 51.540 -16.304 0.853 1.00 1.00 C ATOM 226 C SER A 17 52.692 -17.131 0.290 1.00 1.00 C ATOM 227 O SER A 17 52.485 -18.223 -0.238 1.00 1.00 O ATOM 228 CB SER A 17 51.347 -15.049 0.003 1.00 1.00 C ATOM 229 OG SER A 17 52.612 -14.441 -0.230 1.00 1.00 O ATOM 0 H SER A 17 51.853 -14.928 2.408 1.00 1.00 H new ATOM 0 HA SER A 17 50.630 -16.903 0.826 1.00 1.00 H new ATOM 0 HB2 SER A 17 50.874 -15.307 -0.945 1.00 1.00 H new ATOM 0 HB3 SER A 17 50.683 -14.350 0.511 1.00 1.00 H new ATOM 0 HG SER A 17 52.922 -14.007 0.592 1.00 1.00 H new ATOM 235 N GLU A 18 53.905 -16.602 0.406 1.00 1.00 N ATOM 236 CA GLU A 18 55.082 -17.300 -0.094 1.00 1.00 C ATOM 237 C GLU A 18 55.228 -18.658 0.583 1.00 1.00 C ATOM 238 O GLU A 18 56.086 -19.460 0.211 1.00 1.00 O ATOM 239 CB GLU A 18 56.336 -16.461 0.165 1.00 1.00 C ATOM 240 CG GLU A 18 56.827 -16.707 1.593 1.00 1.00 C ATOM 241 CD GLU A 18 57.716 -15.552 2.044 1.00 1.00 C ATOM 242 OE1 GLU A 18 57.320 -14.415 1.849 1.00 1.00 O ATOM 243 OE2 GLU A 18 58.780 -15.823 2.576 1.00 1.00 O ATOM 0 H GLU A 18 54.098 -15.699 0.839 1.00 1.00 H new ATOM 0 HA GLU A 18 54.962 -17.453 -1.167 1.00 1.00 H new ATOM 0 HB2 GLU A 18 57.116 -16.723 -0.550 1.00 1.00 H new ATOM 0 HB3 GLU A 18 56.115 -15.403 0.022 1.00 1.00 H new ATOM 0 HG2 GLU A 18 55.976 -16.807 2.267 1.00 1.00 H new ATOM 0 HG3 GLU A 18 57.382 -17.644 1.639 1.00 1.00 H new ATOM 250 N CYS A 19 54.383 -18.911 1.578 1.00 1.00 N ATOM 251 CA CYS A 19 54.425 -20.177 2.301 1.00 1.00 C ATOM 252 C CYS A 19 53.299 -21.096 1.840 1.00 1.00 C ATOM 253 O CYS A 19 53.467 -22.314 1.775 1.00 1.00 O ATOM 254 CB CYS A 19 54.295 -19.923 3.805 1.00 1.00 C ATOM 255 SG CYS A 19 55.770 -20.542 4.651 1.00 1.00 S ATOM 0 H CYS A 19 53.666 -18.261 1.900 1.00 1.00 H new ATOM 0 HA CYS A 19 55.380 -20.660 2.094 1.00 1.00 H new ATOM 0 HB2 CYS A 19 54.174 -18.857 3.995 1.00 1.00 H new ATOM 0 HB3 CYS A 19 53.405 -20.419 4.193 1.00 1.00 H new ATOM 0 HG CYS A 19 55.661 -20.324 5.928 1.00 1.00 H new ATOM 261 N GLU A 20 52.152 -20.506 1.522 1.00 1.00 N ATOM 262 CA GLU A 20 51.004 -21.284 1.068 1.00 1.00 C ATOM 263 C GLU A 20 51.075 -21.513 -0.438 1.00 1.00 C ATOM 264 O GLU A 20 50.525 -22.485 -0.955 1.00 1.00 O ATOM 265 CB GLU A 20 49.706 -20.551 1.416 1.00 1.00 C ATOM 266 CG GLU A 20 49.379 -19.536 0.319 1.00 1.00 C ATOM 267 CD GLU A 20 48.422 -18.478 0.858 1.00 1.00 C ATOM 268 OE1 GLU A 20 47.872 -18.694 1.924 1.00 1.00 O ATOM 269 OE2 GLU A 20 48.254 -17.467 0.196 1.00 1.00 O ATOM 0 H GLU A 20 51.992 -19.500 1.569 1.00 1.00 H new ATOM 0 HA GLU A 20 51.020 -22.251 1.572 1.00 1.00 H new ATOM 0 HB2 GLU A 20 48.889 -21.266 1.519 1.00 1.00 H new ATOM 0 HB3 GLU A 20 49.809 -20.044 2.375 1.00 1.00 H new ATOM 0 HG2 GLU A 20 50.295 -19.063 -0.036 1.00 1.00 H new ATOM 0 HG3 GLU A 20 48.930 -20.043 -0.535 1.00 1.00 H new ATOM 276 N TYR A 21 51.758 -20.612 -1.136 1.00 1.00 N ATOM 277 CA TYR A 21 51.897 -20.725 -2.583 1.00 1.00 C ATOM 278 C TYR A 21 52.408 -22.110 -2.966 1.00 1.00 C ATOM 279 O TYR A 21 51.989 -22.682 -3.972 1.00 1.00 O ATOM 280 CB TYR A 21 52.867 -19.661 -3.098 1.00 1.00 C ATOM 281 CG TYR A 21 53.534 -20.154 -4.359 1.00 1.00 C ATOM 282 CD1 TYR A 21 54.692 -20.937 -4.278 1.00 1.00 C ATOM 283 CD2 TYR A 21 52.995 -19.830 -5.610 1.00 1.00 C ATOM 284 CE1 TYR A 21 55.311 -21.395 -5.447 1.00 1.00 C ATOM 285 CE2 TYR A 21 53.614 -20.288 -6.780 1.00 1.00 C ATOM 286 CZ TYR A 21 54.772 -21.070 -6.698 1.00 1.00 C ATOM 287 OH TYR A 21 55.382 -21.522 -7.851 1.00 1.00 O ATOM 0 H TYR A 21 52.221 -19.801 -0.727 1.00 1.00 H new ATOM 0 HA TYR A 21 50.917 -20.574 -3.036 1.00 1.00 H new ATOM 0 HB2 TYR A 21 52.332 -18.732 -3.296 1.00 1.00 H new ATOM 0 HB3 TYR A 21 53.618 -19.441 -2.339 1.00 1.00 H new ATOM 0 HD1 TYR A 21 55.108 -21.188 -3.313 1.00 1.00 H new ATOM 0 HD2 TYR A 21 52.101 -19.227 -5.673 1.00 1.00 H new ATOM 0 HE1 TYR A 21 56.204 -21.999 -5.384 1.00 1.00 H new ATOM 0 HE2 TYR A 21 53.198 -20.038 -7.745 1.00 1.00 H new ATOM 0 HH TYR A 21 54.880 -21.208 -8.632 1.00 1.00 H new ATOM 297 N THR A 22 53.316 -22.644 -2.156 1.00 1.00 N ATOM 298 CA THR A 22 53.880 -23.963 -2.419 1.00 1.00 C ATOM 299 C THR A 22 52.823 -25.045 -2.224 1.00 1.00 C ATOM 300 O THR A 22 52.946 -26.150 -2.756 1.00 1.00 O ATOM 301 CB THR A 22 55.060 -24.225 -1.481 1.00 1.00 C ATOM 302 OG1 THR A 22 54.628 -24.098 -0.133 1.00 1.00 O ATOM 303 CG2 THR A 22 56.171 -23.211 -1.760 1.00 1.00 C ATOM 0 H THR A 22 53.675 -22.188 -1.318 1.00 1.00 H new ATOM 0 HA THR A 22 54.226 -23.990 -3.452 1.00 1.00 H new ATOM 0 HB THR A 22 55.441 -25.233 -1.648 1.00 1.00 H new ATOM 0 HG1 THR A 22 55.382 -24.267 0.470 1.00 1.00 H new ATOM 0 HG21 THR A 22 57.011 -23.399 -1.091 1.00 1.00 H new ATOM 0 HG22 THR A 22 56.502 -23.309 -2.794 1.00 1.00 H new ATOM 0 HG23 THR A 22 55.793 -22.202 -1.594 1.00 1.00 H new ATOM 311 N ASP A 23 51.787 -24.722 -1.458 1.00 1.00 N ATOM 312 CA ASP A 23 50.714 -25.677 -1.200 1.00 1.00 C ATOM 313 C ASP A 23 49.552 -25.452 -2.163 1.00 1.00 C ATOM 314 O ASP A 23 49.159 -26.359 -2.897 1.00 1.00 O ATOM 315 CB ASP A 23 50.220 -25.529 0.241 1.00 1.00 C ATOM 316 CG ASP A 23 50.510 -26.804 1.024 1.00 1.00 C ATOM 317 OD1 ASP A 23 51.677 -27.114 1.204 1.00 1.00 O ATOM 318 OD2 ASP A 23 49.562 -27.454 1.433 1.00 1.00 O ATOM 0 H ASP A 23 51.667 -23.815 -1.008 1.00 1.00 H new ATOM 0 HA ASP A 23 51.105 -26.683 -1.350 1.00 1.00 H new ATOM 0 HB2 ASP A 23 50.711 -24.680 0.717 1.00 1.00 H new ATOM 0 HB3 ASP A 23 49.150 -25.323 0.248 1.00 1.00 H new ATOM 323 N TRP A 24 49.008 -24.240 -2.153 1.00 1.00 N ATOM 324 CA TRP A 24 47.892 -23.908 -3.030 1.00 1.00 C ATOM 325 C TRP A 24 48.111 -24.490 -4.423 1.00 1.00 C ATOM 326 O TRP A 24 47.210 -25.097 -5.001 1.00 1.00 O ATOM 327 CB TRP A 24 47.740 -22.389 -3.128 1.00 1.00 C ATOM 328 CG TRP A 24 47.294 -22.019 -4.506 1.00 1.00 C ATOM 329 CD1 TRP A 24 46.010 -22.011 -4.932 1.00 1.00 C ATOM 330 CD2 TRP A 24 48.104 -21.602 -5.644 1.00 1.00 C ATOM 331 NE1 TRP A 24 45.981 -21.617 -6.257 1.00 1.00 N ATOM 332 CE2 TRP A 24 47.246 -21.354 -6.741 1.00 1.00 C ATOM 333 CE3 TRP A 24 49.487 -21.417 -5.827 1.00 1.00 C ATOM 334 CZ2 TRP A 24 47.742 -20.938 -7.977 1.00 1.00 C ATOM 335 CZ3 TRP A 24 49.988 -20.998 -7.070 1.00 1.00 C ATOM 336 CH2 TRP A 24 49.118 -20.759 -8.143 1.00 1.00 C ATOM 0 H TRP A 24 49.319 -23.477 -1.552 1.00 1.00 H new ATOM 0 HA TRP A 24 46.984 -24.338 -2.609 1.00 1.00 H new ATOM 0 HB2 TRP A 24 47.015 -22.037 -2.393 1.00 1.00 H new ATOM 0 HB3 TRP A 24 48.688 -21.903 -2.899 1.00 1.00 H new ATOM 0 HD1 TRP A 24 45.148 -22.270 -4.335 1.00 1.00 H new ATOM 0 HE1 TRP A 24 45.128 -21.531 -6.810 1.00 1.00 H new ATOM 0 HE3 TRP A 24 50.166 -21.598 -5.007 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 47.067 -20.756 -8.800 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 51.051 -20.859 -7.200 1.00 1.00 H new ATOM 0 HH2 TRP A 24 49.510 -20.437 -9.096 1.00 1.00 H new ATOM 347 N LYS A 25 49.312 -24.298 -4.957 1.00 1.00 N ATOM 348 CA LYS A 25 49.638 -24.810 -6.284 1.00 1.00 C ATOM 349 C LYS A 25 49.361 -26.307 -6.365 1.00 1.00 C ATOM 350 O LYS A 25 48.995 -26.825 -7.420 1.00 1.00 O ATOM 351 CB LYS A 25 51.111 -24.544 -6.599 1.00 1.00 C ATOM 352 CG LYS A 25 51.356 -24.738 -8.096 1.00 1.00 C ATOM 353 CD LYS A 25 52.813 -24.406 -8.422 1.00 1.00 C ATOM 354 CE LYS A 25 53.130 -24.844 -9.853 1.00 1.00 C ATOM 355 NZ LYS A 25 52.298 -24.058 -10.808 1.00 1.00 N ATOM 0 H LYS A 25 50.071 -23.796 -4.496 1.00 1.00 H new ATOM 0 HA LYS A 25 49.012 -24.297 -7.014 1.00 1.00 H new ATOM 0 HB2 LYS A 25 51.379 -23.529 -6.304 1.00 1.00 H new ATOM 0 HB3 LYS A 25 51.744 -25.221 -6.025 1.00 1.00 H new ATOM 0 HG2 LYS A 25 51.134 -25.766 -8.381 1.00 1.00 H new ATOM 0 HG3 LYS A 25 50.688 -24.096 -8.671 1.00 1.00 H new ATOM 0 HD2 LYS A 25 52.986 -23.336 -8.312 1.00 1.00 H new ATOM 0 HD3 LYS A 25 53.477 -24.911 -7.721 1.00 1.00 H new ATOM 0 HE2 LYS A 25 54.188 -24.692 -10.065 1.00 1.00 H new ATOM 0 HE3 LYS A 25 52.931 -25.909 -9.971 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 52.650 -24.203 -11.776 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 51.309 -24.374 -10.748 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 52.354 -23.048 -10.567 1.00 1.00 H new ATOM 369 N SER A 26 49.537 -26.998 -5.243 1.00 1.00 N ATOM 370 CA SER A 26 49.303 -28.437 -5.199 1.00 1.00 C ATOM 371 C SER A 26 47.854 -28.735 -4.828 1.00 1.00 C ATOM 372 O SER A 26 47.188 -29.537 -5.483 1.00 1.00 O ATOM 373 CB SER A 26 50.236 -29.086 -4.176 1.00 1.00 C ATOM 374 OG SER A 26 50.335 -30.478 -4.448 1.00 1.00 O ATOM 0 H SER A 26 49.838 -26.589 -4.359 1.00 1.00 H new ATOM 0 HA SER A 26 49.504 -28.848 -6.188 1.00 1.00 H new ATOM 0 HB2 SER A 26 51.222 -28.624 -4.221 1.00 1.00 H new ATOM 0 HB3 SER A 26 49.855 -28.927 -3.167 1.00 1.00 H new ATOM 0 HG SER A 26 50.934 -30.897 -3.795 1.00 1.00 H new ATOM 380 N SER A 27 47.372 -28.085 -3.774 1.00 1.00 N ATOM 381 CA SER A 27 45.999 -28.290 -3.325 1.00 1.00 C ATOM 382 C SER A 27 45.027 -27.490 -4.184 1.00 1.00 C ATOM 383 O SER A 27 43.847 -27.376 -3.856 1.00 1.00 O ATOM 384 CB SER A 27 45.856 -27.865 -1.864 1.00 1.00 C ATOM 385 OG SER A 27 46.330 -28.908 -1.022 1.00 1.00 O ATOM 0 H SER A 27 47.906 -27.417 -3.218 1.00 1.00 H new ATOM 0 HA SER A 27 45.763 -29.350 -3.420 1.00 1.00 H new ATOM 0 HB2 SER A 27 46.421 -26.951 -1.682 1.00 1.00 H new ATOM 0 HB3 SER A 27 44.813 -27.645 -1.638 1.00 1.00 H new ATOM 0 HG SER A 27 46.241 -28.637 -0.084 1.00 1.00 H new ATOM 391 N GLY A 28 45.529 -26.938 -5.282 1.00 1.00 N ATOM 392 CA GLY A 28 44.693 -26.149 -6.179 1.00 1.00 C ATOM 393 C GLY A 28 44.070 -27.028 -7.259 1.00 1.00 C ATOM 394 O GLY A 28 43.478 -26.526 -8.214 1.00 1.00 O ATOM 0 H GLY A 28 46.504 -27.021 -5.572 1.00 1.00 H new ATOM 0 HA2 GLY A 28 43.906 -25.655 -5.609 1.00 1.00 H new ATOM 0 HA3 GLY A 28 45.291 -25.365 -6.643 1.00 1.00 H new ATOM 398 N ALA A 29 44.208 -28.341 -7.097 1.00 1.00 N ATOM 399 CA ALA A 29 43.656 -29.286 -8.063 1.00 1.00 C ATOM 400 C ALA A 29 42.449 -30.012 -7.476 1.00 1.00 C ATOM 401 O ALA A 29 42.063 -31.078 -7.954 1.00 1.00 O ATOM 402 CB ALA A 29 44.723 -30.308 -8.460 1.00 1.00 C ATOM 0 H ALA A 29 44.694 -28.773 -6.311 1.00 1.00 H new ATOM 0 HA ALA A 29 43.337 -28.730 -8.945 1.00 1.00 H new ATOM 0 HB1 ALA A 29 44.304 -31.010 -9.181 1.00 1.00 H new ATOM 0 HB2 ALA A 29 45.572 -29.792 -8.907 1.00 1.00 H new ATOM 0 HB3 ALA A 29 45.054 -30.851 -7.575 1.00 1.00 H new ATOM 408 N LEU A 30 41.860 -29.427 -6.437 1.00 1.00 N ATOM 409 CA LEU A 30 40.698 -30.029 -5.792 1.00 1.00 C ATOM 410 C LEU A 30 39.629 -28.977 -5.504 1.00 1.00 C ATOM 411 O LEU A 30 38.435 -29.274 -5.521 1.00 1.00 O ATOM 412 CB LEU A 30 41.116 -30.705 -4.484 1.00 1.00 C ATOM 413 CG LEU A 30 41.796 -29.682 -3.573 1.00 1.00 C ATOM 414 CD1 LEU A 30 40.899 -29.397 -2.366 1.00 1.00 C ATOM 415 CD2 LEU A 30 43.135 -30.245 -3.089 1.00 1.00 C ATOM 0 H LEU A 30 42.165 -28.544 -6.027 1.00 1.00 H new ATOM 0 HA LEU A 30 40.281 -30.773 -6.470 1.00 1.00 H new ATOM 0 HB2 LEU A 30 40.243 -31.127 -3.986 1.00 1.00 H new ATOM 0 HB3 LEU A 30 41.796 -31.531 -4.691 1.00 1.00 H new ATOM 0 HG LEU A 30 41.966 -28.758 -4.126 1.00 1.00 H new ATOM 0 HD11 LEU A 30 41.384 -28.668 -1.717 1.00 1.00 H new ATOM 0 HD12 LEU A 30 39.944 -28.999 -2.708 1.00 1.00 H new ATOM 0 HD13 LEU A 30 40.730 -30.320 -1.812 1.00 1.00 H new ATOM 0 HD21 LEU A 30 43.622 -29.518 -2.439 1.00 1.00 H new ATOM 0 HD22 LEU A 30 42.963 -31.168 -2.535 1.00 1.00 H new ATOM 0 HD23 LEU A 30 43.775 -30.451 -3.947 1.00 1.00 H new ATOM 427 N ILE A 31 40.063 -27.748 -5.242 1.00 1.00 N ATOM 428 CA ILE A 31 39.134 -26.666 -4.955 1.00 1.00 C ATOM 429 C ILE A 31 38.366 -26.240 -6.211 1.00 1.00 C ATOM 430 O ILE A 31 37.185 -25.902 -6.130 1.00 1.00 O ATOM 431 CB ILE A 31 39.893 -25.470 -4.384 1.00 1.00 C ATOM 432 CG1 ILE A 31 41.147 -25.964 -3.661 1.00 1.00 C ATOM 433 CG2 ILE A 31 38.999 -24.717 -3.398 1.00 1.00 C ATOM 434 CD1 ILE A 31 41.596 -24.919 -2.638 1.00 1.00 C ATOM 0 H ILE A 31 41.047 -27.480 -5.223 1.00 1.00 H new ATOM 0 HA ILE A 31 38.412 -27.027 -4.223 1.00 1.00 H new ATOM 0 HB ILE A 31 40.179 -24.800 -5.195 1.00 1.00 H new ATOM 0 HG12 ILE A 31 40.942 -26.911 -3.162 1.00 1.00 H new ATOM 0 HG13 ILE A 31 41.945 -26.149 -4.381 1.00 1.00 H new ATOM 0 HG21 ILE A 31 39.543 -23.864 -2.992 1.00 1.00 H new ATOM 0 HG22 ILE A 31 38.105 -24.365 -3.913 1.00 1.00 H new ATOM 0 HG23 ILE A 31 38.711 -25.384 -2.585 1.00 1.00 H new ATOM 0 HD11 ILE A 31 42.490 -25.273 -2.124 1.00 1.00 H new ATOM 0 HD12 ILE A 31 41.818 -23.982 -3.149 1.00 1.00 H new ATOM 0 HD13 ILE A 31 40.800 -24.756 -1.911 1.00 1.00 H new ATOM 446 N PRO A 32 38.999 -26.244 -7.363 1.00 1.00 N ATOM 447 CA PRO A 32 38.334 -25.843 -8.638 1.00 1.00 C ATOM 448 C PRO A 32 37.144 -26.739 -8.971 1.00 1.00 C ATOM 449 O PRO A 32 36.176 -26.299 -9.591 1.00 1.00 O ATOM 450 CB PRO A 32 39.432 -25.980 -9.701 1.00 1.00 C ATOM 451 CG PRO A 32 40.722 -26.032 -8.951 1.00 1.00 C ATOM 452 CD PRO A 32 40.402 -26.627 -7.585 1.00 1.00 C ATOM 0 HA PRO A 32 37.927 -24.834 -8.577 1.00 1.00 H new ATOM 0 HB2 PRO A 32 39.289 -26.882 -10.296 1.00 1.00 H new ATOM 0 HB3 PRO A 32 39.415 -25.137 -10.391 1.00 1.00 H new ATOM 0 HG2 PRO A 32 41.454 -26.643 -9.479 1.00 1.00 H new ATOM 0 HG3 PRO A 32 41.153 -25.036 -8.849 1.00 1.00 H new ATOM 0 HD2 PRO A 32 40.528 -27.710 -7.579 1.00 1.00 H new ATOM 0 HD3 PRO A 32 41.055 -26.226 -6.810 1.00 1.00 H new ATOM 460 N ALA A 33 37.226 -27.999 -8.556 1.00 1.00 N ATOM 461 CA ALA A 33 36.152 -28.950 -8.817 1.00 1.00 C ATOM 462 C ALA A 33 34.847 -28.471 -8.189 1.00 1.00 C ATOM 463 O ALA A 33 33.885 -28.163 -8.894 1.00 1.00 O ATOM 464 CB ALA A 33 36.520 -30.322 -8.249 1.00 1.00 C ATOM 0 H ALA A 33 38.019 -28.383 -8.041 1.00 1.00 H new ATOM 0 HA ALA A 33 36.016 -29.028 -9.896 1.00 1.00 H new ATOM 0 HB1 ALA A 33 35.713 -31.027 -8.448 1.00 1.00 H new ATOM 0 HB2 ALA A 33 37.436 -30.677 -8.721 1.00 1.00 H new ATOM 0 HB3 ALA A 33 36.674 -30.241 -7.173 1.00 1.00 H new ATOM 470 N ILE A 34 34.819 -28.412 -6.863 1.00 1.00 N ATOM 471 CA ILE A 34 33.623 -27.969 -6.153 1.00 1.00 C ATOM 472 C ILE A 34 33.186 -26.597 -6.654 1.00 1.00 C ATOM 473 O ILE A 34 31.995 -26.338 -6.821 1.00 1.00 O ATOM 474 CB ILE A 34 33.905 -27.910 -4.647 1.00 1.00 C ATOM 475 CG1 ILE A 34 33.713 -29.306 -4.039 1.00 1.00 C ATOM 476 CG2 ILE A 34 32.949 -26.915 -3.977 1.00 1.00 C ATOM 477 CD1 ILE A 34 32.248 -29.510 -3.636 1.00 1.00 C ATOM 0 H ILE A 34 35.603 -28.663 -6.261 1.00 1.00 H new ATOM 0 HA ILE A 34 32.819 -28.681 -6.340 1.00 1.00 H new ATOM 0 HB ILE A 34 34.931 -27.580 -4.483 1.00 1.00 H new ATOM 0 HG12 ILE A 34 34.009 -30.068 -4.759 1.00 1.00 H new ATOM 0 HG13 ILE A 34 34.357 -29.423 -3.168 1.00 1.00 H new ATOM 0 HG21 ILE A 34 33.154 -26.877 -2.907 1.00 1.00 H new ATOM 0 HG22 ILE A 34 33.093 -25.925 -4.409 1.00 1.00 H new ATOM 0 HG23 ILE A 34 31.919 -27.235 -4.138 1.00 1.00 H new ATOM 0 HD11 ILE A 34 32.124 -30.504 -3.206 1.00 1.00 H new ATOM 0 HD12 ILE A 34 31.965 -28.758 -2.899 1.00 1.00 H new ATOM 0 HD13 ILE A 34 31.612 -29.413 -4.516 1.00 1.00 H new ATOM 489 N TYR A 35 34.157 -25.723 -6.892 1.00 1.00 N ATOM 490 CA TYR A 35 33.861 -24.380 -7.374 1.00 1.00 C ATOM 491 C TYR A 35 33.093 -24.443 -8.691 1.00 1.00 C ATOM 492 O TYR A 35 31.948 -23.998 -8.775 1.00 1.00 O ATOM 493 CB TYR A 35 35.160 -23.599 -7.578 1.00 1.00 C ATOM 494 CG TYR A 35 35.282 -22.538 -6.512 1.00 1.00 C ATOM 495 CD1 TYR A 35 35.759 -22.876 -5.239 1.00 1.00 C ATOM 496 CD2 TYR A 35 34.919 -21.216 -6.795 1.00 1.00 C ATOM 497 CE1 TYR A 35 35.871 -21.891 -4.250 1.00 1.00 C ATOM 498 CE2 TYR A 35 35.032 -20.231 -5.806 1.00 1.00 C ATOM 499 CZ TYR A 35 35.509 -20.569 -4.534 1.00 1.00 C ATOM 500 OH TYR A 35 35.619 -19.598 -3.558 1.00 1.00 O ATOM 0 H TYR A 35 35.149 -25.918 -6.760 1.00 1.00 H new ATOM 0 HA TYR A 35 33.247 -23.874 -6.629 1.00 1.00 H new ATOM 0 HB2 TYR A 35 36.014 -24.275 -7.533 1.00 1.00 H new ATOM 0 HB3 TYR A 35 35.169 -23.139 -8.566 1.00 1.00 H new ATOM 0 HD1 TYR A 35 36.040 -23.896 -5.020 1.00 1.00 H new ATOM 0 HD2 TYR A 35 34.552 -20.956 -7.777 1.00 1.00 H new ATOM 0 HE1 TYR A 35 36.237 -22.151 -3.268 1.00 1.00 H new ATOM 0 HE2 TYR A 35 34.751 -19.211 -6.024 1.00 1.00 H new ATOM 0 HH TYR A 35 35.328 -18.735 -3.920 1.00 1.00 H new ATOM 510 N MET A 36 33.731 -25.000 -9.715 1.00 1.00 N ATOM 511 CA MET A 36 33.099 -25.117 -11.024 1.00 1.00 C ATOM 512 C MET A 36 31.791 -25.894 -10.918 1.00 1.00 C ATOM 513 O MET A 36 30.737 -25.414 -11.335 1.00 1.00 O ATOM 514 CB MET A 36 34.040 -25.828 -11.998 1.00 1.00 C ATOM 515 CG MET A 36 34.930 -24.796 -12.694 1.00 1.00 C ATOM 516 SD MET A 36 33.938 -23.836 -13.864 1.00 1.00 S ATOM 517 CE MET A 36 34.284 -22.202 -13.167 1.00 1.00 C ATOM 0 H MET A 36 34.678 -25.375 -9.665 1.00 1.00 H new ATOM 0 HA MET A 36 32.885 -24.114 -11.394 1.00 1.00 H new ATOM 0 HB2 MET A 36 34.655 -26.552 -11.463 1.00 1.00 H new ATOM 0 HB3 MET A 36 33.463 -26.384 -12.737 1.00 1.00 H new ATOM 0 HG2 MET A 36 35.383 -24.134 -11.956 1.00 1.00 H new ATOM 0 HG3 MET A 36 35.745 -25.296 -13.217 1.00 1.00 H new ATOM 0 HE1 MET A 36 33.761 -21.441 -13.746 1.00 1.00 H new ATOM 0 HE2 MET A 36 33.943 -22.168 -12.132 1.00 1.00 H new ATOM 0 HE3 MET A 36 35.357 -22.011 -13.202 1.00 1.00 H new ATOM 527 N LEU A 37 31.867 -27.097 -10.358 1.00 1.00 N ATOM 528 CA LEU A 37 30.681 -27.931 -10.202 1.00 1.00 C ATOM 529 C LEU A 37 29.533 -27.123 -9.605 1.00 1.00 C ATOM 530 O LEU A 37 28.366 -27.374 -9.899 1.00 1.00 O ATOM 531 CB LEU A 37 30.996 -29.122 -9.295 1.00 1.00 C ATOM 532 CG LEU A 37 29.879 -30.161 -9.408 1.00 1.00 C ATOM 533 CD1 LEU A 37 30.255 -31.201 -10.465 1.00 1.00 C ATOM 534 CD2 LEU A 37 29.688 -30.853 -8.056 1.00 1.00 C ATOM 0 H LEU A 37 32.730 -27.513 -10.007 1.00 1.00 H new ATOM 0 HA LEU A 37 30.382 -28.293 -11.186 1.00 1.00 H new ATOM 0 HB2 LEU A 37 31.950 -29.566 -9.579 1.00 1.00 H new ATOM 0 HB3 LEU A 37 31.094 -28.789 -8.262 1.00 1.00 H new ATOM 0 HG LEU A 37 28.951 -29.668 -9.698 1.00 1.00 H new ATOM 0 HD11 LEU A 37 29.459 -31.942 -10.546 1.00 1.00 H new ATOM 0 HD12 LEU A 37 30.391 -30.708 -11.428 1.00 1.00 H new ATOM 0 HD13 LEU A 37 31.182 -31.695 -10.176 1.00 1.00 H new ATOM 0 HD21 LEU A 37 28.892 -31.594 -8.136 1.00 1.00 H new ATOM 0 HD22 LEU A 37 30.615 -31.347 -7.766 1.00 1.00 H new ATOM 0 HD23 LEU A 37 29.420 -30.112 -7.303 1.00 1.00 H new ATOM 546 N VAL A 38 29.876 -26.151 -8.766 1.00 1.00 N ATOM 547 CA VAL A 38 28.866 -25.311 -8.133 1.00 1.00 C ATOM 548 C VAL A 38 28.663 -24.024 -8.927 1.00 1.00 C ATOM 549 O VAL A 38 27.727 -23.267 -8.670 1.00 1.00 O ATOM 550 CB VAL A 38 29.292 -24.969 -6.704 1.00 1.00 C ATOM 551 CG1 VAL A 38 28.360 -23.898 -6.136 1.00 1.00 C ATOM 552 CG2 VAL A 38 29.214 -26.226 -5.836 1.00 1.00 C ATOM 0 H VAL A 38 30.838 -25.927 -8.510 1.00 1.00 H new ATOM 0 HA VAL A 38 27.926 -25.862 -8.110 1.00 1.00 H new ATOM 0 HB VAL A 38 30.315 -24.593 -6.709 1.00 1.00 H new ATOM 0 HG11 VAL A 38 28.664 -23.654 -5.118 1.00 1.00 H new ATOM 0 HG12 VAL A 38 28.415 -23.003 -6.755 1.00 1.00 H new ATOM 0 HG13 VAL A 38 27.336 -24.273 -6.130 1.00 1.00 H new ATOM 0 HG21 VAL A 38 29.517 -25.984 -4.817 1.00 1.00 H new ATOM 0 HG22 VAL A 38 28.191 -26.601 -5.831 1.00 1.00 H new ATOM 0 HG23 VAL A 38 29.878 -26.989 -6.241 1.00 1.00 H new ATOM 562 N PHE A 39 29.545 -23.782 -9.892 1.00 1.00 N ATOM 563 CA PHE A 39 29.450 -22.582 -10.716 1.00 1.00 C ATOM 564 C PHE A 39 28.551 -22.831 -11.924 1.00 1.00 C ATOM 565 O PHE A 39 27.556 -22.133 -12.123 1.00 1.00 O ATOM 566 CB PHE A 39 30.842 -22.165 -11.193 1.00 1.00 C ATOM 567 CG PHE A 39 30.835 -20.697 -11.548 1.00 1.00 C ATOM 568 CD1 PHE A 39 30.402 -20.285 -12.814 1.00 1.00 C ATOM 569 CD2 PHE A 39 31.261 -19.748 -10.612 1.00 1.00 C ATOM 570 CE1 PHE A 39 30.394 -18.925 -13.144 1.00 1.00 C ATOM 571 CE2 PHE A 39 31.255 -18.387 -10.941 1.00 1.00 C ATOM 572 CZ PHE A 39 30.822 -17.976 -12.207 1.00 1.00 C ATOM 0 H PHE A 39 30.327 -24.395 -10.121 1.00 1.00 H new ATOM 0 HA PHE A 39 29.018 -21.784 -10.113 1.00 1.00 H new ATOM 0 HB2 PHE A 39 31.578 -22.358 -10.413 1.00 1.00 H new ATOM 0 HB3 PHE A 39 31.134 -22.758 -12.060 1.00 1.00 H new ATOM 0 HD1 PHE A 39 30.074 -21.017 -13.537 1.00 1.00 H new ATOM 0 HD2 PHE A 39 31.595 -20.066 -9.635 1.00 1.00 H new ATOM 0 HE1 PHE A 39 30.058 -18.608 -14.120 1.00 1.00 H new ATOM 0 HE2 PHE A 39 31.584 -17.655 -10.218 1.00 1.00 H new ATOM 0 HZ PHE A 39 30.818 -16.926 -12.461 1.00 1.00 H new ATOM 582 N LEU A 40 28.911 -23.825 -12.728 1.00 1.00 N ATOM 583 CA LEU A 40 28.131 -24.155 -13.916 1.00 1.00 C ATOM 584 C LEU A 40 26.776 -24.742 -13.529 1.00 1.00 C ATOM 585 O LEU A 40 25.973 -25.091 -14.395 1.00 1.00 O ATOM 586 CB LEU A 40 28.895 -25.156 -14.788 1.00 1.00 C ATOM 587 CG LEU A 40 29.395 -26.320 -13.929 1.00 1.00 C ATOM 588 CD1 LEU A 40 28.882 -27.639 -14.509 1.00 1.00 C ATOM 589 CD2 LEU A 40 30.926 -26.328 -13.926 1.00 1.00 C ATOM 0 H LEU A 40 29.732 -24.413 -12.581 1.00 1.00 H new ATOM 0 HA LEU A 40 27.966 -23.237 -14.480 1.00 1.00 H new ATOM 0 HB2 LEU A 40 28.247 -25.530 -15.581 1.00 1.00 H new ATOM 0 HB3 LEU A 40 29.737 -24.661 -15.272 1.00 1.00 H new ATOM 0 HG LEU A 40 29.028 -26.204 -12.909 1.00 1.00 H new ATOM 0 HD11 LEU A 40 29.238 -28.468 -13.898 1.00 1.00 H new ATOM 0 HD12 LEU A 40 27.792 -27.634 -14.515 1.00 1.00 H new ATOM 0 HD13 LEU A 40 29.250 -27.756 -15.528 1.00 1.00 H new ATOM 0 HD21 LEU A 40 31.284 -27.156 -13.315 1.00 1.00 H new ATOM 0 HD22 LEU A 40 31.291 -26.445 -14.946 1.00 1.00 H new ATOM 0 HD23 LEU A 40 31.294 -25.388 -13.515 1.00 1.00 H new ATOM 601 N LEU A 41 26.529 -24.843 -12.225 1.00 1.00 N ATOM 602 CA LEU A 41 25.265 -25.385 -11.730 1.00 1.00 C ATOM 603 C LEU A 41 24.599 -24.396 -10.777 1.00 1.00 C ATOM 604 O LEU A 41 23.377 -24.392 -10.628 1.00 1.00 O ATOM 605 CB LEU A 41 25.508 -26.710 -10.999 1.00 1.00 C ATOM 606 CG LEU A 41 26.139 -27.729 -11.956 1.00 1.00 C ATOM 607 CD1 LEU A 41 26.424 -29.032 -11.205 1.00 1.00 C ATOM 608 CD2 LEU A 41 25.180 -28.019 -13.116 1.00 1.00 C ATOM 0 H LEU A 41 27.183 -24.559 -11.496 1.00 1.00 H new ATOM 0 HA LEU A 41 24.609 -25.557 -12.583 1.00 1.00 H new ATOM 0 HB2 LEU A 41 26.164 -26.548 -10.143 1.00 1.00 H new ATOM 0 HB3 LEU A 41 24.567 -27.098 -10.610 1.00 1.00 H new ATOM 0 HG LEU A 41 27.070 -27.318 -12.347 1.00 1.00 H new ATOM 0 HD11 LEU A 41 26.872 -29.754 -11.887 1.00 1.00 H new ATOM 0 HD12 LEU A 41 27.111 -28.835 -10.382 1.00 1.00 H new ATOM 0 HD13 LEU A 41 25.492 -29.436 -10.810 1.00 1.00 H new ATOM 0 HD21 LEU A 41 25.635 -28.743 -13.792 1.00 1.00 H new ATOM 0 HD22 LEU A 41 24.247 -28.424 -12.724 1.00 1.00 H new ATOM 0 HD23 LEU A 41 24.975 -27.096 -13.658 1.00 1.00 H new ATOM 620 N GLY A 42 25.409 -23.560 -10.136 1.00 1.00 N ATOM 621 CA GLY A 42 24.885 -22.571 -9.202 1.00 1.00 C ATOM 622 C GLY A 42 24.864 -21.183 -9.833 1.00 1.00 C ATOM 623 O GLY A 42 24.415 -20.217 -9.216 1.00 1.00 O ATOM 0 H GLY A 42 26.423 -23.547 -10.245 1.00 1.00 H new ATOM 0 HA2 GLY A 42 23.877 -22.851 -8.897 1.00 1.00 H new ATOM 0 HA3 GLY A 42 25.498 -22.556 -8.301 1.00 1.00 H new ATOM 627 N THR A 43 25.352 -21.092 -11.065 1.00 1.00 N ATOM 628 CA THR A 43 25.384 -19.815 -11.771 1.00 1.00 C ATOM 629 C THR A 43 25.021 -20.005 -13.239 1.00 1.00 C ATOM 630 O THR A 43 25.468 -19.250 -14.102 1.00 1.00 O ATOM 631 CB THR A 43 26.778 -19.194 -11.663 1.00 1.00 C ATOM 632 OG1 THR A 43 27.370 -19.572 -10.428 1.00 1.00 O ATOM 633 CG2 THR A 43 26.666 -17.670 -11.732 1.00 1.00 C ATOM 0 H THR A 43 25.728 -21.880 -11.593 1.00 1.00 H new ATOM 0 HA THR A 43 24.653 -19.149 -11.312 1.00 1.00 H new ATOM 0 HB THR A 43 27.398 -19.548 -12.486 1.00 1.00 H new ATOM 0 HG1 THR A 43 28.264 -19.176 -10.359 1.00 1.00 H new ATOM 0 HG21 THR A 43 27.660 -17.228 -11.655 1.00 1.00 H new ATOM 0 HG22 THR A 43 26.213 -17.381 -12.680 1.00 1.00 H new ATOM 0 HG23 THR A 43 26.046 -17.313 -10.910 1.00 1.00 H new ATOM 641 N THR A 44 24.207 -21.021 -13.515 1.00 1.00 N ATOM 642 CA THR A 44 23.788 -21.304 -14.883 1.00 1.00 C ATOM 643 C THR A 44 22.290 -21.588 -14.934 1.00 1.00 C ATOM 644 O THR A 44 21.565 -21.010 -15.744 1.00 1.00 O ATOM 645 CB THR A 44 24.558 -22.510 -15.427 1.00 1.00 C ATOM 646 OG1 THR A 44 25.940 -22.192 -15.501 1.00 1.00 O ATOM 647 CG2 THR A 44 24.038 -22.863 -16.821 1.00 1.00 C ATOM 0 H THR A 44 23.827 -21.657 -12.814 1.00 1.00 H new ATOM 0 HA THR A 44 24.003 -20.430 -15.498 1.00 1.00 H new ATOM 0 HB THR A 44 24.416 -23.363 -14.763 1.00 1.00 H new ATOM 0 HG1 THR A 44 26.412 -22.897 -15.992 1.00 1.00 H new ATOM 0 HG21 THR A 44 24.587 -23.722 -17.207 1.00 1.00 H new ATOM 0 HG22 THR A 44 22.977 -23.107 -16.763 1.00 1.00 H new ATOM 0 HG23 THR A 44 24.179 -22.012 -17.488 1.00 1.00 H new ATOM 655 N GLY A 45 21.833 -22.482 -14.063 1.00 1.00 N ATOM 656 CA GLY A 45 20.420 -22.835 -14.017 1.00 1.00 C ATOM 657 C GLY A 45 19.722 -22.131 -12.859 1.00 1.00 C ATOM 658 O GLY A 45 18.496 -22.158 -12.751 1.00 1.00 O ATOM 0 H GLY A 45 22.416 -22.972 -13.384 1.00 1.00 H new ATOM 0 HA2 GLY A 45 19.941 -22.560 -14.957 1.00 1.00 H new ATOM 0 HA3 GLY A 45 20.314 -23.914 -13.909 1.00 1.00 H new ATOM 662 N ASN A 46 20.512 -21.502 -11.995 1.00 1.00 N ATOM 663 CA ASN A 46 19.960 -20.793 -10.847 1.00 1.00 C ATOM 664 C ASN A 46 19.382 -19.448 -11.276 1.00 1.00 C ATOM 665 O ASN A 46 18.264 -19.092 -10.900 1.00 1.00 O ATOM 666 CB ASN A 46 21.049 -20.570 -9.797 1.00 1.00 C ATOM 667 CG ASN A 46 21.428 -19.093 -9.743 1.00 1.00 C ATOM 668 OD1 ASN A 46 22.273 -18.614 -10.614 1.00 1.00 O flip ATOM 669 ND2 ASN A 46 20.940 -18.359 -8.884 1.00 1.00 N flip ATOM 0 H ASN A 46 21.529 -21.469 -12.067 1.00 1.00 H new ATOM 0 HA ASN A 46 19.162 -21.400 -10.419 1.00 1.00 H new ATOM 0 HB2 ASN A 46 20.696 -20.899 -8.820 1.00 1.00 H new ATOM 0 HB3 ASN A 46 21.926 -21.170 -10.038 1.00 1.00 H new ATOM 0 HD21 ASN A 46 20.280 -18.738 -8.205 1.00 1.00 H new ATOM 0 HD22 ASN A 46 21.196 -17.372 -8.851 1.00 1.00 H new ATOM 676 N GLY A 47 20.150 -18.704 -12.065 1.00 1.00 N ATOM 677 CA GLY A 47 19.704 -17.400 -12.540 1.00 1.00 C ATOM 678 C GLY A 47 18.544 -17.546 -13.519 1.00 1.00 C ATOM 679 O GLY A 47 17.522 -16.872 -13.391 1.00 1.00 O ATOM 0 H GLY A 47 21.078 -18.979 -12.387 1.00 1.00 H new ATOM 0 HA2 GLY A 47 19.396 -16.786 -11.694 1.00 1.00 H new ATOM 0 HA3 GLY A 47 20.532 -16.882 -13.025 1.00 1.00 H new ATOM 683 N LEU A 48 18.710 -18.430 -14.498 1.00 1.00 N ATOM 684 CA LEU A 48 17.669 -18.658 -15.493 1.00 1.00 C ATOM 685 C LEU A 48 16.355 -19.027 -14.812 1.00 1.00 C ATOM 686 O LEU A 48 15.299 -18.484 -15.141 1.00 1.00 O ATOM 687 CB LEU A 48 18.094 -19.783 -16.443 1.00 1.00 C ATOM 688 CG LEU A 48 17.080 -19.922 -17.586 1.00 1.00 C ATOM 689 CD1 LEU A 48 17.074 -18.654 -18.447 1.00 1.00 C ATOM 690 CD2 LEU A 48 17.464 -21.121 -18.457 1.00 1.00 C ATOM 0 H LEU A 48 19.549 -18.996 -14.623 1.00 1.00 H new ATOM 0 HA LEU A 48 17.524 -17.740 -16.063 1.00 1.00 H new ATOM 0 HB2 LEU A 48 19.084 -19.572 -16.849 1.00 1.00 H new ATOM 0 HB3 LEU A 48 18.167 -20.723 -15.896 1.00 1.00 H new ATOM 0 HG LEU A 48 16.086 -20.069 -17.164 1.00 1.00 H new ATOM 0 HD11 LEU A 48 16.350 -18.766 -19.254 1.00 1.00 H new ATOM 0 HD12 LEU A 48 16.801 -17.797 -17.831 1.00 1.00 H new ATOM 0 HD13 LEU A 48 18.067 -18.496 -18.869 1.00 1.00 H new ATOM 0 HD21 LEU A 48 16.746 -21.224 -19.271 1.00 1.00 H new ATOM 0 HD22 LEU A 48 18.461 -20.966 -18.870 1.00 1.00 H new ATOM 0 HD23 LEU A 48 17.458 -22.027 -17.851 1.00 1.00 H new ATOM 702 N VAL A 49 16.426 -19.954 -13.862 1.00 1.00 N ATOM 703 CA VAL A 49 15.237 -20.388 -13.141 1.00 1.00 C ATOM 704 C VAL A 49 14.604 -19.217 -12.396 1.00 1.00 C ATOM 705 O VAL A 49 13.545 -18.723 -12.781 1.00 1.00 O ATOM 706 CB VAL A 49 15.603 -21.491 -12.147 1.00 1.00 C ATOM 707 CG1 VAL A 49 14.494 -21.624 -11.100 1.00 1.00 C ATOM 708 CG2 VAL A 49 15.760 -22.818 -12.893 1.00 1.00 C ATOM 0 H VAL A 49 17.289 -20.416 -13.576 1.00 1.00 H new ATOM 0 HA VAL A 49 14.518 -20.774 -13.863 1.00 1.00 H new ATOM 0 HB VAL A 49 16.541 -21.238 -11.653 1.00 1.00 H new ATOM 0 HG11 VAL A 49 14.755 -22.410 -10.392 1.00 1.00 H new ATOM 0 HG12 VAL A 49 14.381 -20.679 -10.568 1.00 1.00 H new ATOM 0 HG13 VAL A 49 13.556 -21.877 -11.594 1.00 1.00 H new ATOM 0 HG21 VAL A 49 16.021 -23.605 -12.185 1.00 1.00 H new ATOM 0 HG22 VAL A 49 14.822 -23.071 -13.387 1.00 1.00 H new ATOM 0 HG23 VAL A 49 16.549 -22.725 -13.639 1.00 1.00 H new ATOM 718 N LEU A 50 15.260 -18.780 -11.326 1.00 1.00 N ATOM 719 CA LEU A 50 14.754 -17.666 -10.531 1.00 1.00 C ATOM 720 C LEU A 50 14.203 -16.568 -11.435 1.00 1.00 C ATOM 721 O LEU A 50 13.317 -15.811 -11.038 1.00 1.00 O ATOM 722 CB LEU A 50 15.873 -17.097 -9.659 1.00 1.00 C ATOM 723 CG LEU A 50 16.084 -18.001 -8.444 1.00 1.00 C ATOM 724 CD1 LEU A 50 17.539 -17.905 -7.982 1.00 1.00 C ATOM 725 CD2 LEU A 50 15.160 -17.551 -7.309 1.00 1.00 C ATOM 0 H LEU A 50 16.138 -19.177 -10.991 1.00 1.00 H new ATOM 0 HA LEU A 50 13.949 -18.035 -9.895 1.00 1.00 H new ATOM 0 HB2 LEU A 50 16.795 -17.023 -10.235 1.00 1.00 H new ATOM 0 HB3 LEU A 50 15.618 -16.088 -9.335 1.00 1.00 H new ATOM 0 HG LEU A 50 15.856 -19.032 -8.714 1.00 1.00 H new ATOM 0 HD11 LEU A 50 17.689 -18.550 -7.116 1.00 1.00 H new ATOM 0 HD12 LEU A 50 18.199 -18.223 -8.789 1.00 1.00 H new ATOM 0 HD13 LEU A 50 17.767 -16.874 -7.711 1.00 1.00 H new ATOM 0 HD21 LEU A 50 15.309 -18.194 -6.442 1.00 1.00 H new ATOM 0 HD22 LEU A 50 15.390 -16.520 -7.040 1.00 1.00 H new ATOM 0 HD23 LEU A 50 14.122 -17.618 -7.636 1.00 1.00 H new ATOM 737 N TRP A 51 14.734 -16.485 -12.650 1.00 1.00 N ATOM 738 CA TRP A 51 14.289 -15.474 -13.602 1.00 1.00 C ATOM 739 C TRP A 51 13.009 -15.921 -14.302 1.00 1.00 C ATOM 740 O TRP A 51 12.040 -15.167 -14.384 1.00 1.00 O ATOM 741 CB TRP A 51 15.381 -15.219 -14.642 1.00 1.00 C ATOM 742 CG TRP A 51 14.855 -14.312 -15.706 1.00 1.00 C ATOM 743 CD1 TRP A 51 14.946 -12.961 -15.690 1.00 1.00 C ATOM 744 CD2 TRP A 51 14.158 -14.661 -16.937 1.00 1.00 C ATOM 745 NE1 TRP A 51 14.349 -12.461 -16.832 1.00 1.00 N ATOM 746 CE2 TRP A 51 13.848 -13.468 -17.633 1.00 1.00 C ATOM 747 CE3 TRP A 51 13.768 -15.884 -17.511 1.00 1.00 C ATOM 748 CZ2 TRP A 51 13.176 -13.489 -18.855 1.00 1.00 C ATOM 749 CZ3 TRP A 51 13.091 -15.909 -18.741 1.00 1.00 C ATOM 750 CH2 TRP A 51 12.796 -14.713 -19.411 1.00 1.00 C ATOM 0 H TRP A 51 15.469 -17.101 -12.997 1.00 1.00 H new ATOM 0 HA TRP A 51 14.086 -14.553 -13.056 1.00 1.00 H new ATOM 0 HB2 TRP A 51 16.253 -14.771 -14.166 1.00 1.00 H new ATOM 0 HB3 TRP A 51 15.707 -16.162 -15.081 1.00 1.00 H new ATOM 0 HD1 TRP A 51 15.409 -12.371 -14.913 1.00 1.00 H new ATOM 0 HE1 TRP A 51 14.286 -11.468 -17.056 1.00 1.00 H new ATOM 0 HE3 TRP A 51 13.991 -16.810 -17.002 1.00 1.00 H new ATOM 0 HZ2 TRP A 51 12.951 -12.566 -19.368 1.00 1.00 H new ATOM 0 HZ3 TRP A 51 12.796 -16.854 -19.173 1.00 1.00 H new ATOM 0 HH2 TRP A 51 12.275 -14.738 -20.357 1.00 1.00 H new ATOM 761 N THR A 52 13.013 -17.151 -14.805 1.00 1.00 N ATOM 762 CA THR A 52 11.845 -17.688 -15.495 1.00 1.00 C ATOM 763 C THR A 52 10.682 -17.860 -14.524 1.00 1.00 C ATOM 764 O THR A 52 9.542 -17.523 -14.840 1.00 1.00 O ATOM 765 CB THR A 52 12.189 -19.038 -16.130 1.00 1.00 C ATOM 766 OG1 THR A 52 12.837 -18.824 -17.376 1.00 1.00 O ATOM 767 CG2 THR A 52 10.908 -19.844 -16.353 1.00 1.00 C ATOM 0 H THR A 52 13.805 -17.791 -14.749 1.00 1.00 H new ATOM 0 HA THR A 52 11.551 -16.985 -16.275 1.00 1.00 H new ATOM 0 HB THR A 52 12.852 -19.591 -15.465 1.00 1.00 H new ATOM 0 HG1 THR A 52 12.870 -17.863 -17.567 1.00 1.00 H new ATOM 0 HG21 THR A 52 11.156 -20.804 -16.805 1.00 1.00 H new ATOM 0 HG22 THR A 52 10.412 -20.011 -15.397 1.00 1.00 H new ATOM 0 HG23 THR A 52 10.242 -19.292 -17.016 1.00 1.00 H new ATOM 775 N VAL A 53 10.980 -18.391 -13.343 1.00 1.00 N ATOM 776 CA VAL A 53 9.952 -18.609 -12.332 1.00 1.00 C ATOM 777 C VAL A 53 9.281 -17.294 -11.950 1.00 1.00 C ATOM 778 O VAL A 53 8.055 -17.211 -11.876 1.00 1.00 O ATOM 779 CB VAL A 53 10.569 -19.248 -11.088 1.00 1.00 C ATOM 780 CG1 VAL A 53 9.629 -19.062 -9.897 1.00 1.00 C ATOM 781 CG2 VAL A 53 10.785 -20.744 -11.338 1.00 1.00 C ATOM 0 H VAL A 53 11.918 -18.677 -13.063 1.00 1.00 H new ATOM 0 HA VAL A 53 9.199 -19.278 -12.750 1.00 1.00 H new ATOM 0 HB VAL A 53 11.526 -18.772 -10.872 1.00 1.00 H new ATOM 0 HG11 VAL A 53 10.070 -19.518 -9.011 1.00 1.00 H new ATOM 0 HG12 VAL A 53 9.474 -17.998 -9.719 1.00 1.00 H new ATOM 0 HG13 VAL A 53 8.672 -19.537 -10.111 1.00 1.00 H new ATOM 0 HG21 VAL A 53 11.225 -21.201 -10.452 1.00 1.00 H new ATOM 0 HG22 VAL A 53 9.828 -21.219 -11.554 1.00 1.00 H new ATOM 0 HG23 VAL A 53 11.456 -20.878 -12.186 1.00 1.00 H new ATOM 791 N PHE A 54 10.090 -16.271 -11.705 1.00 1.00 N ATOM 792 CA PHE A 54 9.561 -14.966 -11.327 1.00 1.00 C ATOM 793 C PHE A 54 8.568 -14.464 -12.371 1.00 1.00 C ATOM 794 O PHE A 54 7.702 -13.641 -12.073 1.00 1.00 O ATOM 795 CB PHE A 54 10.705 -13.960 -11.186 1.00 1.00 C ATOM 796 CG PHE A 54 11.193 -13.949 -9.757 1.00 1.00 C ATOM 797 CD1 PHE A 54 11.453 -15.157 -9.097 1.00 1.00 C ATOM 798 CD2 PHE A 54 11.387 -12.733 -9.092 1.00 1.00 C ATOM 799 CE1 PHE A 54 11.906 -15.148 -7.773 1.00 1.00 C ATOM 800 CE2 PHE A 54 11.840 -12.724 -7.768 1.00 1.00 C ATOM 801 CZ PHE A 54 12.100 -13.932 -7.108 1.00 1.00 C ATOM 0 H PHE A 54 11.107 -16.318 -11.761 1.00 1.00 H new ATOM 0 HA PHE A 54 9.045 -15.069 -10.372 1.00 1.00 H new ATOM 0 HB2 PHE A 54 11.521 -14.225 -11.858 1.00 1.00 H new ATOM 0 HB3 PHE A 54 10.366 -12.965 -11.473 1.00 1.00 H new ATOM 0 HD1 PHE A 54 11.304 -16.096 -9.610 1.00 1.00 H new ATOM 0 HD2 PHE A 54 11.187 -11.801 -9.601 1.00 1.00 H new ATOM 0 HE1 PHE A 54 12.106 -16.080 -7.264 1.00 1.00 H new ATOM 0 HE2 PHE A 54 11.989 -11.785 -7.255 1.00 1.00 H new ATOM 0 HZ PHE A 54 12.450 -13.925 -6.086 1.00 1.00 H new ATOM 811 N ARG A 55 8.700 -14.964 -13.595 1.00 1.00 N ATOM 812 CA ARG A 55 7.809 -14.557 -14.677 1.00 1.00 C ATOM 813 C ARG A 55 6.692 -15.579 -14.864 1.00 1.00 C ATOM 814 O ARG A 55 5.866 -15.446 -15.767 1.00 1.00 O ATOM 815 CB ARG A 55 8.605 -14.413 -15.979 1.00 1.00 C ATOM 816 CG ARG A 55 9.148 -12.982 -16.101 1.00 1.00 C ATOM 817 CD ARG A 55 10.491 -12.997 -16.837 1.00 1.00 C ATOM 818 NE ARG A 55 11.578 -13.188 -15.885 1.00 1.00 N ATOM 819 CZ ARG A 55 11.880 -12.251 -14.992 1.00 1.00 C ATOM 820 NH1 ARG A 55 11.215 -11.128 -14.972 1.00 1.00 N ATOM 821 NH2 ARG A 55 12.842 -12.454 -14.134 1.00 1.00 N ATOM 0 H ARG A 55 9.409 -15.647 -13.862 1.00 1.00 H new ATOM 0 HA ARG A 55 7.363 -13.597 -14.418 1.00 1.00 H new ATOM 0 HB2 ARG A 55 9.429 -15.127 -15.993 1.00 1.00 H new ATOM 0 HB3 ARG A 55 7.968 -14.644 -16.833 1.00 1.00 H new ATOM 0 HG2 ARG A 55 8.435 -12.358 -16.639 1.00 1.00 H new ATOM 0 HG3 ARG A 55 9.271 -12.544 -15.110 1.00 1.00 H new ATOM 0 HD2 ARG A 55 10.500 -13.797 -17.578 1.00 1.00 H new ATOM 0 HD3 ARG A 55 10.630 -12.060 -17.377 1.00 1.00 H new ATOM 0 HE ARG A 55 12.116 -14.055 -15.904 1.00 1.00 H new ATOM 0 HH11 ARG A 55 10.463 -10.969 -15.642 1.00 1.00 H new ATOM 0 HH12 ARG A 55 11.448 -10.410 -14.286 1.00 1.00 H new ATOM 0 HH21 ARG A 55 13.362 -13.331 -14.149 1.00 1.00 H new ATOM 0 HH22 ARG A 55 13.074 -11.735 -13.449 1.00 1.00 H new ATOM 835 N LYS A 56 6.670 -16.589 -13.998 1.00 1.00 N ATOM 836 CA LYS A 56 5.647 -17.626 -14.062 1.00 1.00 C ATOM 837 C LYS A 56 4.874 -17.676 -12.746 1.00 1.00 C ATOM 838 O LYS A 56 3.733 -18.132 -12.700 1.00 1.00 O ATOM 839 CB LYS A 56 6.299 -18.986 -14.366 1.00 1.00 C ATOM 840 CG LYS A 56 6.443 -19.824 -13.083 1.00 1.00 C ATOM 841 CD LYS A 56 7.311 -21.059 -13.358 1.00 1.00 C ATOM 842 CE LYS A 56 6.436 -22.183 -13.912 1.00 1.00 C ATOM 843 NZ LYS A 56 5.421 -22.573 -12.893 1.00 1.00 N ATOM 0 H LYS A 56 7.348 -16.710 -13.246 1.00 1.00 H new ATOM 0 HA LYS A 56 4.946 -17.393 -14.864 1.00 1.00 H new ATOM 0 HB2 LYS A 56 5.696 -19.529 -15.094 1.00 1.00 H new ATOM 0 HB3 LYS A 56 7.279 -18.831 -14.816 1.00 1.00 H new ATOM 0 HG2 LYS A 56 6.893 -19.222 -12.294 1.00 1.00 H new ATOM 0 HG3 LYS A 56 5.460 -20.132 -12.728 1.00 1.00 H new ATOM 0 HD2 LYS A 56 8.099 -20.812 -14.070 1.00 1.00 H new ATOM 0 HD3 LYS A 56 7.801 -21.384 -12.440 1.00 1.00 H new ATOM 0 HE2 LYS A 56 5.941 -21.856 -14.826 1.00 1.00 H new ATOM 0 HE3 LYS A 56 7.053 -23.043 -14.174 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 5.235 -23.594 -12.961 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 5.779 -22.349 -11.943 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 4.539 -22.048 -13.063 1.00 1.00 H new ATOM 857 N LYS A 57 5.509 -17.196 -11.682 1.00 1.00 N ATOM 858 CA LYS A 57 4.878 -17.180 -10.367 1.00 1.00 C ATOM 859 C LYS A 57 4.073 -15.899 -10.186 1.00 1.00 C ATOM 860 O LYS A 57 3.035 -15.893 -9.522 1.00 1.00 O ATOM 861 CB LYS A 57 5.945 -17.271 -9.273 1.00 1.00 C ATOM 862 CG LYS A 57 5.643 -18.457 -8.355 1.00 1.00 C ATOM 863 CD LYS A 57 5.851 -19.763 -9.124 1.00 1.00 C ATOM 864 CE LYS A 57 4.614 -20.651 -8.968 1.00 1.00 C ATOM 865 NZ LYS A 57 4.366 -20.906 -7.522 1.00 1.00 N ATOM 0 H LYS A 57 6.455 -16.815 -11.704 1.00 1.00 H new ATOM 0 HA LYS A 57 4.209 -18.037 -10.291 1.00 1.00 H new ATOM 0 HB2 LYS A 57 6.931 -17.389 -9.722 1.00 1.00 H new ATOM 0 HB3 LYS A 57 5.966 -16.347 -8.695 1.00 1.00 H new ATOM 0 HG2 LYS A 57 6.294 -18.429 -7.481 1.00 1.00 H new ATOM 0 HG3 LYS A 57 4.618 -18.397 -7.990 1.00 1.00 H new ATOM 0 HD2 LYS A 57 6.029 -19.552 -10.178 1.00 1.00 H new ATOM 0 HD3 LYS A 57 6.733 -20.281 -8.749 1.00 1.00 H new ATOM 0 HE2 LYS A 57 3.747 -20.167 -9.417 1.00 1.00 H new ATOM 0 HE3 LYS A 57 4.761 -21.594 -9.495 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 3.899 -21.828 -7.407 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 5.271 -20.910 -7.010 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 3.754 -20.158 -7.137 1.00 1.00 H new ATOM 879 N GLY A 58 4.559 -14.815 -10.782 1.00 1.00 N ATOM 880 CA GLY A 58 3.880 -13.531 -10.683 1.00 1.00 C ATOM 881 C GLY A 58 2.707 -13.461 -11.654 1.00 1.00 C ATOM 882 O GLY A 58 1.712 -12.784 -11.394 1.00 1.00 O ATOM 0 H GLY A 58 5.416 -14.801 -11.335 1.00 1.00 H new ATOM 0 HA2 GLY A 58 3.523 -13.381 -9.664 1.00 1.00 H new ATOM 0 HA3 GLY A 58 4.583 -12.726 -10.897 1.00 1.00 H new ATOM 886 N HIS A 59 2.831 -14.166 -12.774 1.00 1.00 N ATOM 887 CA HIS A 59 1.776 -14.178 -13.778 1.00 1.00 C ATOM 888 C HIS A 59 0.490 -14.763 -13.200 1.00 1.00 C ATOM 889 O HIS A 59 -0.576 -14.660 -13.805 1.00 1.00 O ATOM 890 CB HIS A 59 2.216 -15.003 -14.988 1.00 1.00 C ATOM 891 CG HIS A 59 1.199 -16.077 -15.261 1.00 1.00 C ATOM 892 ND1 HIS A 59 0.076 -15.850 -16.040 1.00 1.00 N ATOM 893 CD2 HIS A 59 1.122 -17.389 -14.867 1.00 1.00 C ATOM 894 CE1 HIS A 59 -0.623 -16.999 -16.091 1.00 1.00 C ATOM 895 NE2 HIS A 59 -0.029 -17.970 -15.391 1.00 1.00 N ATOM 0 H HIS A 59 3.646 -14.733 -13.007 1.00 1.00 H new ATOM 0 HA HIS A 59 1.585 -13.151 -14.089 1.00 1.00 H new ATOM 0 HB2 HIS A 59 2.323 -14.359 -15.861 1.00 1.00 H new ATOM 0 HB3 HIS A 59 3.192 -15.451 -14.800 1.00 1.00 H new ATOM 0 HD2 HIS A 59 1.845 -17.894 -14.244 1.00 1.00 H new ATOM 0 HE1 HIS A 59 -1.550 -17.121 -16.631 1.00 1.00 H new ATOM 0 HE2 HIS A 59 -0.350 -18.930 -15.267 1.00 1.00 H new ATOM 903 N HIS A 60 0.601 -15.376 -12.026 1.00 1.00 N ATOM 904 CA HIS A 60 -0.559 -15.974 -11.376 1.00 1.00 C ATOM 905 C HIS A 60 -0.526 -15.711 -9.873 1.00 1.00 C ATOM 906 O HIS A 60 -0.143 -16.580 -9.089 1.00 1.00 O ATOM 907 CB HIS A 60 -0.580 -17.483 -11.631 1.00 1.00 C ATOM 908 CG HIS A 60 -1.924 -18.038 -11.249 1.00 1.00 C ATOM 909 ND1 HIS A 60 -2.987 -17.487 -10.575 1.00 1.00 N flip ATOM 910 CD2 HIS A 60 -2.307 -19.332 -11.565 1.00 1.00 C flip ATOM 911 CE1 HIS A 60 -4.013 -18.422 -10.474 1.00 1.00 C flip ATOM 912 NE2 HIS A 60 -3.551 -19.515 -11.087 1.00 1.00 N flip ATOM 0 H HIS A 60 1.475 -15.471 -11.509 1.00 1.00 H new ATOM 0 HA HIS A 60 -1.459 -15.522 -11.793 1.00 1.00 H new ATOM 0 HB2 HIS A 60 -0.376 -17.688 -12.682 1.00 1.00 H new ATOM 0 HB3 HIS A 60 0.204 -17.971 -11.053 1.00 1.00 H new ATOM 0 HD2 HIS A 60 -1.714 -20.061 -12.098 1.00 1.00 H new ATOM 0 HE1 HIS A 60 -4.975 -18.292 -10.002 1.00 1.00 H new ATOM 0 HE2 HIS A 60 -4.078 -20.383 -11.181 1.00 1.00 H new ATOM 920 N HIS A 61 -0.929 -14.508 -9.479 1.00 1.00 N ATOM 921 CA HIS A 61 -0.941 -14.141 -8.067 1.00 1.00 C ATOM 922 C HIS A 61 -2.206 -14.657 -7.390 1.00 1.00 C ATOM 923 O HIS A 61 -2.745 -14.013 -6.490 1.00 1.00 O ATOM 924 CB HIS A 61 -0.865 -12.620 -7.923 1.00 1.00 C ATOM 925 CG HIS A 61 -0.014 -12.272 -6.732 1.00 1.00 C ATOM 926 ND1 HIS A 61 -0.305 -12.728 -5.456 1.00 1.00 N ATOM 927 CD2 HIS A 61 1.122 -11.511 -6.608 1.00 1.00 C ATOM 928 CE1 HIS A 61 0.638 -12.244 -4.628 1.00 1.00 C ATOM 929 NE2 HIS A 61 1.532 -11.495 -5.278 1.00 1.00 N ATOM 0 H HIS A 61 -1.250 -13.775 -10.112 1.00 1.00 H new ATOM 0 HA HIS A 61 -0.075 -14.595 -7.585 1.00 1.00 H new ATOM 0 HB2 HIS A 61 -0.443 -12.179 -8.826 1.00 1.00 H new ATOM 0 HB3 HIS A 61 -1.866 -12.205 -7.803 1.00 1.00 H new ATOM 0 HD1 HIS A 61 -1.091 -13.322 -5.193 1.00 1.00 H new ATOM 0 HD2 HIS A 61 1.622 -11.002 -7.419 1.00 1.00 H new ATOM 0 HE1 HIS A 61 0.668 -12.438 -3.566 1.00 1.00 H new ATOM 937 N HIS A 62 -2.675 -15.820 -7.831 1.00 1.00 N ATOM 938 CA HIS A 62 -3.879 -16.411 -7.259 1.00 1.00 C ATOM 939 C HIS A 62 -5.125 -15.709 -7.788 1.00 1.00 C ATOM 940 O HIS A 62 -5.952 -16.319 -8.467 1.00 1.00 O ATOM 941 CB HIS A 62 -3.841 -16.304 -5.733 1.00 1.00 C ATOM 942 CG HIS A 62 -4.544 -17.488 -5.128 1.00 1.00 C ATOM 943 ND1 HIS A 62 -5.806 -17.388 -4.564 1.00 1.00 N ATOM 944 CD2 HIS A 62 -4.176 -18.803 -4.993 1.00 1.00 C ATOM 945 CE1 HIS A 62 -6.148 -18.610 -4.118 1.00 1.00 C ATOM 946 NE2 HIS A 62 -5.190 -19.510 -4.354 1.00 1.00 N ATOM 0 H HIS A 62 -2.244 -16.368 -8.576 1.00 1.00 H new ATOM 0 HA HIS A 62 -3.917 -17.461 -7.549 1.00 1.00 H new ATOM 0 HB2 HIS A 62 -2.808 -16.265 -5.386 1.00 1.00 H new ATOM 0 HB3 HIS A 62 -4.320 -15.380 -5.411 1.00 1.00 H new ATOM 0 HD2 HIS A 62 -3.241 -19.225 -5.331 1.00 1.00 H new ATOM 0 HE1 HIS A 62 -7.084 -18.836 -3.628 1.00 1.00 H new ATOM 0 HE2 HIS A 62 -5.200 -20.502 -4.117 1.00 1.00 H new ATOM 954 N HIS A 63 -5.253 -14.424 -7.474 1.00 1.00 N ATOM 955 CA HIS A 63 -6.403 -13.649 -7.924 1.00 1.00 C ATOM 956 C HIS A 63 -6.258 -13.282 -9.397 1.00 1.00 C ATOM 957 O HIS A 63 -6.546 -12.154 -9.797 1.00 1.00 O ATOM 958 CB HIS A 63 -6.531 -12.373 -7.089 1.00 1.00 C ATOM 959 CG HIS A 63 -6.960 -12.729 -5.692 1.00 1.00 C ATOM 960 ND1 HIS A 63 -7.325 -11.767 -4.763 1.00 1.00 N ATOM 961 CD2 HIS A 63 -7.086 -13.936 -5.050 1.00 1.00 C ATOM 962 CE1 HIS A 63 -7.651 -12.406 -3.624 1.00 1.00 C ATOM 963 NE2 HIS A 63 -7.522 -13.729 -3.745 1.00 1.00 N ATOM 0 H HIS A 63 -4.580 -13.901 -6.914 1.00 1.00 H new ATOM 0 HA HIS A 63 -7.299 -14.257 -7.799 1.00 1.00 H new ATOM 0 HB2 HIS A 63 -5.578 -11.844 -7.065 1.00 1.00 H new ATOM 0 HB3 HIS A 63 -7.258 -11.700 -7.544 1.00 1.00 H new ATOM 0 HD2 HIS A 63 -6.878 -14.900 -5.491 1.00 1.00 H new ATOM 0 HE1 HIS A 63 -7.977 -11.909 -2.722 1.00 1.00 H new ATOM 0 HE2 HIS A 63 -7.704 -14.437 -3.033 1.00 1.00 H new ATOM 971 N HIS A 64 -5.810 -14.241 -10.199 1.00 1.00 N ATOM 972 CA HIS A 64 -5.631 -14.008 -11.628 1.00 1.00 C ATOM 973 C HIS A 64 -6.811 -13.227 -12.195 1.00 1.00 C ATOM 974 O HIS A 64 -6.605 -12.486 -13.143 1.00 1.00 O ATOM 975 CB HIS A 64 -5.500 -15.343 -12.364 1.00 1.00 C ATOM 976 CG HIS A 64 -6.801 -15.672 -13.042 1.00 1.00 C ATOM 977 ND1 HIS A 64 -7.844 -16.299 -12.377 1.00 1.00 N ATOM 978 CD2 HIS A 64 -7.245 -15.467 -14.324 1.00 1.00 C ATOM 979 CE1 HIS A 64 -8.853 -16.448 -13.253 1.00 1.00 C ATOM 980 NE2 HIS A 64 -8.541 -15.958 -14.456 1.00 1.00 N ATOM 981 OXT HIS A 64 -7.903 -13.380 -11.674 1.00 1.00 O ATOM 0 H HIS A 64 -5.565 -15.181 -9.888 1.00 1.00 H new ATOM 0 HA HIS A 64 -4.721 -13.425 -11.770 1.00 1.00 H new ATOM 0 HB2 HIS A 64 -4.698 -15.287 -13.100 1.00 1.00 H new ATOM 0 HB3 HIS A 64 -5.234 -16.133 -11.662 1.00 1.00 H new ATOM 0 HD2 HIS A 64 -6.675 -14.996 -15.111 1.00 1.00 H new ATOM 0 HE1 HIS A 64 -9.800 -16.908 -13.013 1.00 1.00 H new ATOM 0 HE2 HIS A 64 -9.126 -15.946 -15.291 1.00 1.00 H new TER 989 HIS A 64