USER MOD reduce.3.24.130724 H: found=0, std=0, add=478, rem=0, adj=18 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 26 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 27 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 17 SER OG : rot 96:sc= 0.462 USER MOD Set 2.2: A 19 CYS SG : rot 32:sc= 1.32 USER MOD Set 3.1: A 9 ASN :FLIP amide:sc= 0.0526 X(o=-1.4,f=-1.2) USER MOD Set 3.2: A 15 ASN :FLIP amide:sc= -1.21! F(o=-1.9,f=-1.2!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -143:sc= -0.17 (180deg=-1.21!) 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 16 GLN : amide:sc= -7.18! C(o=-7.2!,f=-13!) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -32:sc= 0.763 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=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 161:sc=-0.00355 USER MOD Single : A 44 THR OG1 : rot 134:sc= 0.221 USER MOD Single : A 46 ASN :FLIP amide:sc= -3.77! C(o=-6.7!,f=-3.8!) USER MOD Single : A 52 THR OG1 : rot 17:sc= 0.537 USER MOD Single : A 56 LYS NZ :NH3+ 145:sc= -0.188 (180deg=-1.13) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 HIS : no HD1:sc= -0.543 X(o=-0.54,f=-0.2) USER MOD Single : A 60 HIS : no HD1:sc= -0.207 X(o=-0.21,f=-0.032) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 62 HIS : no HD1:sc= -0.0485 X(o=-0.048,f=-0.31) USER MOD Single : A 63 HIS : no HD1:sc= -0.119 X(o=-0.12,f=0) USER MOD Single : A 64 HIS : no HE2:sc= 0.229 K(o=0.23,f=-4.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 43.242 25.906 27.786 1.00 1.00 N ATOM 2 CA MET A 1 42.438 27.065 27.303 1.00 1.00 C ATOM 3 C MET A 1 42.859 27.413 25.878 1.00 1.00 C ATOM 4 O MET A 1 43.043 26.530 25.041 1.00 1.00 O ATOM 5 CB MET A 1 42.671 28.264 28.224 1.00 1.00 C ATOM 6 CG MET A 1 42.377 27.861 29.670 1.00 1.00 C ATOM 7 SD MET A 1 41.073 28.923 30.340 1.00 1.00 S ATOM 8 CE MET A 1 39.686 27.806 30.022 1.00 1.00 C ATOM 0 H1 MET A 1 42.645 25.290 28.373 1.00 1.00 H new ATOM 0 H2 MET A 1 43.599 25.368 26.971 1.00 1.00 H new ATOM 0 H3 MET A 1 44.044 26.251 28.351 1.00 1.00 H new ATOM 0 HA MET A 1 41.379 26.808 27.311 1.00 1.00 H new ATOM 0 HB2 MET A 1 43.700 28.611 28.134 1.00 1.00 H new ATOM 0 HB3 MET A 1 42.028 29.093 27.929 1.00 1.00 H new ATOM 0 HG2 MET A 1 42.067 26.817 29.712 1.00 1.00 H new ATOM 0 HG3 MET A 1 43.280 27.950 30.274 1.00 1.00 H new ATOM 0 HE1 MET A 1 38.760 28.269 30.364 1.00 1.00 H new ATOM 0 HE2 MET A 1 39.618 27.606 28.953 1.00 1.00 H new ATOM 0 HE3 MET A 1 39.843 26.870 30.557 1.00 1.00 H new ATOM 20 N GLU A 2 43.010 28.706 25.612 1.00 1.00 N ATOM 21 CA GLU A 2 43.410 29.161 24.285 1.00 1.00 C ATOM 22 C GLU A 2 44.432 30.288 24.390 1.00 1.00 C ATOM 23 O GLU A 2 44.079 31.434 24.673 1.00 1.00 O ATOM 24 CB GLU A 2 42.186 29.649 23.509 1.00 1.00 C ATOM 25 CG GLU A 2 41.148 28.527 23.432 1.00 1.00 C ATOM 26 CD GLU A 2 40.201 28.612 24.625 1.00 1.00 C ATOM 27 OE1 GLU A 2 39.438 29.562 24.683 1.00 1.00 O ATOM 28 OE2 GLU A 2 40.252 27.726 25.461 1.00 1.00 O ATOM 0 H GLU A 2 42.863 29.452 26.291 1.00 1.00 H new ATOM 0 HA GLU A 2 43.864 28.323 23.756 1.00 1.00 H new ATOM 0 HB2 GLU A 2 41.757 30.523 23.999 1.00 1.00 H new ATOM 0 HB3 GLU A 2 42.478 29.958 22.505 1.00 1.00 H new ATOM 0 HG2 GLU A 2 40.584 28.605 22.503 1.00 1.00 H new ATOM 0 HG3 GLU A 2 41.647 27.558 23.421 1.00 1.00 H new ATOM 35 N GLU A 3 45.698 29.957 24.160 1.00 1.00 N ATOM 36 CA GLU A 3 46.763 30.951 24.232 1.00 1.00 C ATOM 37 C GLU A 3 47.009 31.572 22.861 1.00 1.00 C ATOM 38 O GLU A 3 48.154 31.764 22.453 1.00 1.00 O ATOM 39 CB GLU A 3 48.051 30.300 24.738 1.00 1.00 C ATOM 40 CG GLU A 3 48.913 31.352 25.439 1.00 1.00 C ATOM 41 CD GLU A 3 50.388 30.980 25.321 1.00 1.00 C ATOM 42 OE1 GLU A 3 50.669 29.813 25.105 1.00 1.00 O ATOM 43 OE2 GLU A 3 51.214 31.869 25.447 1.00 1.00 O ATOM 0 H GLU A 3 46.011 29.015 23.924 1.00 1.00 H new ATOM 0 HA GLU A 3 46.457 31.735 24.924 1.00 1.00 H new ATOM 0 HB2 GLU A 3 47.815 29.490 25.428 1.00 1.00 H new ATOM 0 HB3 GLU A 3 48.600 29.860 23.905 1.00 1.00 H new ATOM 0 HG2 GLU A 3 48.740 32.332 24.994 1.00 1.00 H new ATOM 0 HG3 GLU A 3 48.631 31.425 26.489 1.00 1.00 H new ATOM 50 N GLY A 4 45.928 31.883 22.154 1.00 1.00 N ATOM 51 CA GLY A 4 46.039 32.482 20.829 1.00 1.00 C ATOM 52 C GLY A 4 44.912 32.004 19.919 1.00 1.00 C ATOM 53 O GLY A 4 44.201 32.811 19.320 1.00 1.00 O ATOM 0 H GLY A 4 44.971 31.732 22.473 1.00 1.00 H new ATOM 0 HA2 GLY A 4 46.008 33.568 20.913 1.00 1.00 H new ATOM 0 HA3 GLY A 4 47.002 32.224 20.388 1.00 1.00 H new ATOM 57 N GLY A 5 44.755 30.688 19.821 1.00 1.00 N ATOM 58 CA GLY A 5 43.711 30.114 18.980 1.00 1.00 C ATOM 59 C GLY A 5 43.857 30.583 17.535 1.00 1.00 C ATOM 60 O GLY A 5 44.685 31.441 17.231 1.00 1.00 O ATOM 0 H GLY A 5 45.332 30.004 20.309 1.00 1.00 H new ATOM 0 HA2 GLY A 5 43.763 29.026 19.020 1.00 1.00 H new ATOM 0 HA3 GLY A 5 42.731 30.401 19.363 1.00 1.00 H new ATOM 64 N ASP A 6 43.045 30.013 16.650 1.00 1.00 N ATOM 65 CA ASP A 6 43.090 30.381 15.240 1.00 1.00 C ATOM 66 C ASP A 6 41.735 30.147 14.580 1.00 1.00 C ATOM 67 O ASP A 6 40.768 29.775 15.243 1.00 1.00 O ATOM 68 CB ASP A 6 44.160 29.556 14.520 1.00 1.00 C ATOM 69 CG ASP A 6 45.384 30.421 14.240 1.00 1.00 C ATOM 70 OD1 ASP A 6 45.331 31.204 13.306 1.00 1.00 O ATOM 71 OD2 ASP A 6 46.357 30.289 14.964 1.00 1.00 O ATOM 0 H ASP A 6 42.353 29.300 16.882 1.00 1.00 H new ATOM 0 HA ASP A 6 43.337 31.440 15.168 1.00 1.00 H new ATOM 0 HB2 ASP A 6 44.442 28.699 15.131 1.00 1.00 H new ATOM 0 HB3 ASP A 6 43.760 29.163 13.585 1.00 1.00 H new ATOM 76 N PHE A 7 41.674 30.366 13.271 1.00 1.00 N ATOM 77 CA PHE A 7 40.432 30.176 12.532 1.00 1.00 C ATOM 78 C PHE A 7 40.712 29.578 11.157 1.00 1.00 C ATOM 79 O PHE A 7 41.223 30.256 10.266 1.00 1.00 O ATOM 80 CB PHE A 7 39.710 31.515 12.370 1.00 1.00 C ATOM 81 CG PHE A 7 39.054 31.572 11.011 1.00 1.00 C ATOM 82 CD1 PHE A 7 37.868 30.865 10.776 1.00 1.00 C ATOM 83 CD2 PHE A 7 39.631 32.331 9.986 1.00 1.00 C ATOM 84 CE1 PHE A 7 37.260 30.919 9.516 1.00 1.00 C ATOM 85 CE2 PHE A 7 39.023 32.385 8.727 1.00 1.00 C ATOM 86 CZ PHE A 7 37.838 31.679 8.491 1.00 1.00 C ATOM 0 H PHE A 7 42.464 30.673 12.704 1.00 1.00 H new ATOM 0 HA PHE A 7 39.800 29.488 13.093 1.00 1.00 H new ATOM 0 HB2 PHE A 7 38.961 31.633 13.153 1.00 1.00 H new ATOM 0 HB3 PHE A 7 40.417 32.337 12.479 1.00 1.00 H new ATOM 0 HD1 PHE A 7 37.423 30.279 11.566 1.00 1.00 H new ATOM 0 HD2 PHE A 7 40.546 32.875 10.167 1.00 1.00 H new ATOM 0 HE1 PHE A 7 36.345 30.375 9.334 1.00 1.00 H new ATOM 0 HE2 PHE A 7 39.468 32.972 7.937 1.00 1.00 H new ATOM 0 HZ PHE A 7 37.369 31.720 7.519 1.00 1.00 H new ATOM 96 N ASP A 8 40.375 28.303 10.992 1.00 1.00 N ATOM 97 CA ASP A 8 40.594 27.623 9.721 1.00 1.00 C ATOM 98 C ASP A 8 39.607 26.473 9.551 1.00 1.00 C ATOM 99 O ASP A 8 39.993 25.355 9.208 1.00 1.00 O ATOM 100 CB ASP A 8 42.024 27.083 9.658 1.00 1.00 C ATOM 101 CG ASP A 8 42.485 26.994 8.207 1.00 1.00 C ATOM 102 OD1 ASP A 8 41.632 26.998 7.334 1.00 1.00 O ATOM 103 OD2 ASP A 8 43.684 26.925 7.990 1.00 1.00 O ATOM 0 H ASP A 8 39.952 27.723 11.717 1.00 1.00 H new ATOM 0 HA ASP A 8 40.440 28.341 8.915 1.00 1.00 H new ATOM 0 HB2 ASP A 8 42.692 27.734 10.221 1.00 1.00 H new ATOM 0 HB3 ASP A 8 42.071 26.099 10.124 1.00 1.00 H new ATOM 108 N ASN A 9 38.331 26.755 9.792 1.00 1.00 N ATOM 109 CA ASN A 9 37.295 25.736 9.662 1.00 1.00 C ATOM 110 C ASN A 9 35.973 26.367 9.238 1.00 1.00 C ATOM 111 O ASN A 9 34.929 26.105 9.837 1.00 1.00 O ATOM 112 CB ASN A 9 37.111 25.006 10.994 1.00 1.00 C ATOM 113 CG ASN A 9 36.589 23.595 10.746 1.00 1.00 C ATOM 114 OD1 ASN A 9 35.587 23.413 9.930 1.00 1.00 O flip ATOM 115 ND2 ASN A 9 37.107 22.632 11.313 1.00 1.00 N flip ATOM 0 H ASN A 9 37.991 27.674 10.076 1.00 1.00 H new ATOM 0 HA ASN A 9 37.606 25.024 8.898 1.00 1.00 H new ATOM 0 HB2 ASN A 9 38.060 24.963 11.529 1.00 1.00 H new ATOM 0 HB3 ASN A 9 36.413 25.555 11.626 1.00 1.00 H new ATOM 0 HD21 ASN A 9 37.890 22.776 11.950 1.00 1.00 H new ATOM 0 HD22 ASN A 9 36.753 21.690 11.145 1.00 1.00 H new ATOM 122 N TYR A 10 36.025 27.197 8.202 1.00 1.00 N ATOM 123 CA TYR A 10 34.823 27.860 7.707 1.00 1.00 C ATOM 124 C TYR A 10 33.647 26.889 7.685 1.00 1.00 C ATOM 125 O TYR A 10 32.687 27.044 8.440 1.00 1.00 O ATOM 126 CB TYR A 10 35.068 28.399 6.296 1.00 1.00 C ATOM 127 CG TYR A 10 34.016 29.428 5.961 1.00 1.00 C ATOM 128 CD1 TYR A 10 34.166 30.750 6.393 1.00 1.00 C ATOM 129 CD2 TYR A 10 32.888 29.059 5.216 1.00 1.00 C ATOM 130 CE1 TYR A 10 33.190 31.705 6.081 1.00 1.00 C ATOM 131 CE2 TYR A 10 31.912 30.013 4.905 1.00 1.00 C ATOM 132 CZ TYR A 10 32.064 31.335 5.337 1.00 1.00 C ATOM 133 OH TYR A 10 31.101 32.276 5.031 1.00 1.00 O ATOM 0 H TYR A 10 36.878 27.426 7.692 1.00 1.00 H new ATOM 0 HA TYR A 10 34.585 28.687 8.376 1.00 1.00 H new ATOM 0 HB2 TYR A 10 36.061 28.844 6.233 1.00 1.00 H new ATOM 0 HB3 TYR A 10 35.038 27.584 5.573 1.00 1.00 H new ATOM 0 HD1 TYR A 10 35.035 31.035 6.968 1.00 1.00 H new ATOM 0 HD2 TYR A 10 32.772 28.039 4.882 1.00 1.00 H new ATOM 0 HE1 TYR A 10 33.306 32.726 6.414 1.00 1.00 H new ATOM 0 HE2 TYR A 10 31.042 29.729 4.332 1.00 1.00 H new ATOM 0 HH TYR A 10 30.387 31.855 4.509 1.00 1.00 H new ATOM 143 N TYR A 11 33.729 25.887 6.815 1.00 1.00 N ATOM 144 CA TYR A 11 32.665 24.896 6.704 1.00 1.00 C ATOM 145 C TYR A 11 32.382 24.259 8.060 1.00 1.00 C ATOM 146 O TYR A 11 33.169 24.395 8.997 1.00 1.00 O ATOM 147 CB TYR A 11 33.066 23.810 5.702 1.00 1.00 C ATOM 148 CG TYR A 11 34.558 23.588 5.772 1.00 1.00 C ATOM 149 CD1 TYR A 11 35.103 22.819 6.807 1.00 1.00 C ATOM 150 CD2 TYR A 11 35.396 24.151 4.802 1.00 1.00 C ATOM 151 CE1 TYR A 11 36.486 22.612 6.872 1.00 1.00 C ATOM 152 CE2 TYR A 11 36.779 23.944 4.866 1.00 1.00 C ATOM 153 CZ TYR A 11 37.323 23.175 5.902 1.00 1.00 C ATOM 154 OH TYR A 11 38.688 22.971 5.966 1.00 1.00 O ATOM 0 H TYR A 11 34.515 25.740 6.181 1.00 1.00 H new ATOM 0 HA TYR A 11 31.762 25.397 6.356 1.00 1.00 H new ATOM 0 HB2 TYR A 11 32.539 22.882 5.924 1.00 1.00 H new ATOM 0 HB3 TYR A 11 32.778 24.107 4.693 1.00 1.00 H new ATOM 0 HD1 TYR A 11 34.456 22.385 7.555 1.00 1.00 H new ATOM 0 HD2 TYR A 11 34.975 24.745 4.004 1.00 1.00 H new ATOM 0 HE1 TYR A 11 36.907 22.018 7.670 1.00 1.00 H new ATOM 0 HE2 TYR A 11 37.426 24.377 4.117 1.00 1.00 H new ATOM 0 HH TYR A 11 39.123 23.429 5.217 1.00 1.00 H new ATOM 164 N GLY A 12 31.254 23.564 8.158 1.00 1.00 N ATOM 165 CA GLY A 12 30.877 22.910 9.406 1.00 1.00 C ATOM 166 C GLY A 12 31.324 21.453 9.414 1.00 1.00 C ATOM 167 O GLY A 12 32.512 21.157 9.291 1.00 1.00 O ATOM 0 H GLY A 12 30.589 23.439 7.395 1.00 1.00 H new ATOM 0 HA2 GLY A 12 31.327 23.437 10.248 1.00 1.00 H new ATOM 0 HA3 GLY A 12 29.796 22.964 9.537 1.00 1.00 H new ATOM 171 N ALA A 13 30.363 20.545 9.559 1.00 1.00 N ATOM 172 CA ALA A 13 30.670 19.119 9.580 1.00 1.00 C ATOM 173 C ALA A 13 31.211 18.668 8.228 1.00 1.00 C ATOM 174 O ALA A 13 30.545 17.933 7.497 1.00 1.00 O ATOM 175 CB ALA A 13 29.412 18.320 9.923 1.00 1.00 C ATOM 0 H ALA A 13 29.373 20.769 9.663 1.00 1.00 H new ATOM 0 HA ALA A 13 31.431 18.940 10.340 1.00 1.00 H new ATOM 0 HB1 ALA A 13 29.649 17.256 9.937 1.00 1.00 H new ATOM 0 HB2 ALA A 13 29.045 18.623 10.904 1.00 1.00 H new ATOM 0 HB3 ALA A 13 28.644 18.511 9.173 1.00 1.00 H new ATOM 181 N ASP A 14 32.420 19.111 7.900 1.00 1.00 N ATOM 182 CA ASP A 14 33.040 18.746 6.632 1.00 1.00 C ATOM 183 C ASP A 14 34.514 18.407 6.834 1.00 1.00 C ATOM 184 O ASP A 14 35.377 18.887 6.099 1.00 1.00 O ATOM 185 CB ASP A 14 32.912 19.900 5.636 1.00 1.00 C ATOM 186 CG ASP A 14 33.232 19.412 4.228 1.00 1.00 C ATOM 187 OD1 ASP A 14 34.146 18.615 4.092 1.00 1.00 O ATOM 188 OD2 ASP A 14 32.559 19.842 3.306 1.00 1.00 O ATOM 0 H ASP A 14 32.987 19.720 8.491 1.00 1.00 H new ATOM 0 HA ASP A 14 32.527 17.868 6.238 1.00 1.00 H new ATOM 0 HB2 ASP A 14 31.902 20.308 5.667 1.00 1.00 H new ATOM 0 HB3 ASP A 14 33.590 20.707 5.913 1.00 1.00 H new ATOM 193 N ASN A 15 34.793 17.576 7.833 1.00 1.00 N ATOM 194 CA ASN A 15 36.166 17.178 8.120 1.00 1.00 C ATOM 195 C ASN A 15 36.231 15.695 8.467 1.00 1.00 C ATOM 196 O ASN A 15 36.521 14.867 7.604 1.00 1.00 O ATOM 197 CB ASN A 15 36.715 18.003 9.287 1.00 1.00 C ATOM 198 CG ASN A 15 36.855 19.464 8.870 1.00 1.00 C ATOM 199 OD1 ASN A 15 36.118 20.371 9.450 1.00 1.00 O flip ATOM 200 ND2 ASN A 15 37.654 19.785 7.991 1.00 1.00 N flip ATOM 0 H ASN A 15 34.093 17.168 8.453 1.00 1.00 H new ATOM 0 HA ASN A 15 36.771 17.358 7.232 1.00 1.00 H new ATOM 0 HB2 ASN A 15 36.048 17.923 10.146 1.00 1.00 H new ATOM 0 HB3 ASN A 15 37.683 17.610 9.598 1.00 1.00 H new ATOM 0 HD21 ASN A 15 38.229 19.073 7.540 1.00 1.00 H new ATOM 0 HD22 ASN A 15 37.742 20.763 7.714 1.00 1.00 H new ATOM 207 N GLN A 16 35.951 15.382 9.735 1.00 1.00 N ATOM 208 CA GLN A 16 35.966 14.001 10.226 1.00 1.00 C ATOM 209 C GLN A 16 36.921 13.126 9.420 1.00 1.00 C ATOM 210 O GLN A 16 36.566 12.026 8.997 1.00 1.00 O ATOM 211 CB GLN A 16 34.557 13.410 10.172 1.00 1.00 C ATOM 212 CG GLN A 16 33.950 13.630 8.785 1.00 1.00 C ATOM 213 CD GLN A 16 33.435 15.061 8.664 1.00 1.00 C ATOM 214 OE1 GLN A 16 33.516 15.833 9.619 1.00 1.00 O ATOM 215 NE2 GLN A 16 32.909 15.463 7.539 1.00 1.00 N ATOM 0 H GLN A 16 35.709 16.073 10.446 1.00 1.00 H new ATOM 0 HA GLN A 16 36.317 14.022 11.258 1.00 1.00 H new ATOM 0 HB2 GLN A 16 34.592 12.344 10.398 1.00 1.00 H new ATOM 0 HB3 GLN A 16 33.929 13.876 10.931 1.00 1.00 H new ATOM 0 HG2 GLN A 16 34.698 13.438 8.016 1.00 1.00 H new ATOM 0 HG3 GLN A 16 33.135 12.926 8.619 1.00 1.00 H new ATOM 0 HE21 GLN A 16 32.843 14.821 6.749 1.00 1.00 H new ATOM 0 HE22 GLN A 16 32.564 16.419 7.450 1.00 1.00 H new ATOM 224 N SER A 17 38.135 13.625 9.211 1.00 1.00 N ATOM 225 CA SER A 17 39.137 12.884 8.454 1.00 1.00 C ATOM 226 C SER A 17 39.107 11.405 8.827 1.00 1.00 C ATOM 227 O SER A 17 39.549 11.019 9.909 1.00 1.00 O ATOM 228 CB SER A 17 40.528 13.454 8.733 1.00 1.00 C ATOM 229 OG SER A 17 40.734 13.520 10.137 1.00 1.00 O ATOM 0 H SER A 17 38.447 14.534 9.553 1.00 1.00 H new ATOM 0 HA SER A 17 38.909 12.983 7.393 1.00 1.00 H new ATOM 0 HB2 SER A 17 41.290 12.827 8.271 1.00 1.00 H new ATOM 0 HB3 SER A 17 40.622 14.447 8.293 1.00 1.00 H new ATOM 0 HG SER A 17 41.222 12.724 10.434 1.00 1.00 H new ATOM 235 N GLU A 18 38.582 10.584 7.923 1.00 1.00 N ATOM 236 CA GLU A 18 38.499 9.149 8.168 1.00 1.00 C ATOM 237 C GLU A 18 39.861 8.594 8.569 1.00 1.00 C ATOM 238 O GLU A 18 40.678 8.248 7.716 1.00 1.00 O ATOM 239 CB GLU A 18 38.004 8.432 6.910 1.00 1.00 C ATOM 240 CG GLU A 18 36.510 8.136 7.045 1.00 1.00 C ATOM 241 CD GLU A 18 35.978 7.533 5.749 1.00 1.00 C ATOM 242 OE1 GLU A 18 36.632 7.693 4.732 1.00 1.00 O ATOM 243 OE2 GLU A 18 34.924 6.919 5.793 1.00 1.00 O ATOM 0 H GLU A 18 38.211 10.884 7.022 1.00 1.00 H new ATOM 0 HA GLU A 18 37.796 8.979 8.983 1.00 1.00 H new ATOM 0 HB2 GLU A 18 38.185 9.051 6.031 1.00 1.00 H new ATOM 0 HB3 GLU A 18 38.558 7.504 6.766 1.00 1.00 H new ATOM 0 HG2 GLU A 18 36.341 7.447 7.873 1.00 1.00 H new ATOM 0 HG3 GLU A 18 35.969 9.053 7.278 1.00 1.00 H new ATOM 250 N CYS A 19 40.098 8.509 9.875 1.00 1.00 N ATOM 251 CA CYS A 19 41.366 7.992 10.378 1.00 1.00 C ATOM 252 C CYS A 19 41.232 6.520 10.756 1.00 1.00 C ATOM 253 O CYS A 19 41.714 6.093 11.805 1.00 1.00 O ATOM 254 CB CYS A 19 41.809 8.797 11.602 1.00 1.00 C ATOM 255 SG CYS A 19 42.030 10.532 11.135 1.00 1.00 S ATOM 0 H CYS A 19 39.435 8.789 10.598 1.00 1.00 H new ATOM 0 HA CYS A 19 42.114 8.087 9.591 1.00 1.00 H new ATOM 0 HB2 CYS A 19 41.065 8.714 12.394 1.00 1.00 H new ATOM 0 HB3 CYS A 19 42.741 8.394 11.998 1.00 1.00 H new ATOM 0 HG CYS A 19 41.187 10.839 10.194 1.00 1.00 H new ATOM 261 N GLU A 20 40.575 5.752 9.894 1.00 1.00 N ATOM 262 CA GLU A 20 40.384 4.328 10.147 1.00 1.00 C ATOM 263 C GLU A 20 40.485 3.535 8.848 1.00 1.00 C ATOM 264 O GLU A 20 41.020 2.426 8.827 1.00 1.00 O ATOM 265 CB GLU A 20 39.015 4.091 10.787 1.00 1.00 C ATOM 266 CG GLU A 20 38.928 4.861 12.107 1.00 1.00 C ATOM 267 CD GLU A 20 37.715 4.392 12.904 1.00 1.00 C ATOM 268 OE1 GLU A 20 37.439 3.204 12.882 1.00 1.00 O ATOM 269 OE2 GLU A 20 37.081 5.229 13.524 1.00 1.00 O ATOM 0 H GLU A 20 40.169 6.088 9.021 1.00 1.00 H new ATOM 0 HA GLU A 20 41.166 3.990 10.827 1.00 1.00 H new ATOM 0 HB2 GLU A 20 38.224 4.417 10.111 1.00 1.00 H new ATOM 0 HB3 GLU A 20 38.864 3.026 10.964 1.00 1.00 H new ATOM 0 HG2 GLU A 20 39.837 4.707 12.688 1.00 1.00 H new ATOM 0 HG3 GLU A 20 38.853 5.930 11.910 1.00 1.00 H new ATOM 276 N TYR A 21 39.969 4.111 7.767 1.00 1.00 N ATOM 277 CA TYR A 21 40.006 3.448 6.469 1.00 1.00 C ATOM 278 C TYR A 21 41.439 3.075 6.100 1.00 1.00 C ATOM 279 O TYR A 21 41.671 2.345 5.136 1.00 1.00 O ATOM 280 CB TYR A 21 39.425 4.369 5.395 1.00 1.00 C ATOM 281 CG TYR A 21 40.548 4.983 4.595 1.00 1.00 C ATOM 282 CD1 TYR A 21 41.200 6.128 5.068 1.00 1.00 C ATOM 283 CD2 TYR A 21 40.938 4.406 3.379 1.00 1.00 C ATOM 284 CE1 TYR A 21 42.243 6.696 4.327 1.00 1.00 C ATOM 285 CE2 TYR A 21 41.980 4.976 2.637 1.00 1.00 C ATOM 286 CZ TYR A 21 42.633 6.120 3.111 1.00 1.00 C ATOM 287 OH TYR A 21 43.659 6.681 2.380 1.00 1.00 O ATOM 0 H TYR A 21 39.523 5.029 7.763 1.00 1.00 H new ATOM 0 HA TYR A 21 39.408 2.538 6.529 1.00 1.00 H new ATOM 0 HB2 TYR A 21 38.762 3.806 4.738 1.00 1.00 H new ATOM 0 HB3 TYR A 21 38.825 5.152 5.858 1.00 1.00 H new ATOM 0 HD1 TYR A 21 40.898 6.573 6.005 1.00 1.00 H new ATOM 0 HD2 TYR A 21 40.435 3.522 3.014 1.00 1.00 H new ATOM 0 HE1 TYR A 21 42.747 7.578 4.693 1.00 1.00 H new ATOM 0 HE2 TYR A 21 42.280 4.533 1.699 1.00 1.00 H new ATOM 0 HH TYR A 21 43.803 6.158 1.564 1.00 1.00 H new ATOM 297 N THR A 22 42.395 3.580 6.874 1.00 1.00 N ATOM 298 CA THR A 22 43.802 3.292 6.617 1.00 1.00 C ATOM 299 C THR A 22 44.309 2.217 7.572 1.00 1.00 C ATOM 300 O THR A 22 45.372 1.632 7.353 1.00 1.00 O ATOM 301 CB THR A 22 44.635 4.564 6.789 1.00 1.00 C ATOM 302 OG1 THR A 22 43.911 5.675 6.277 1.00 1.00 O ATOM 303 CG2 THR A 22 45.954 4.418 6.030 1.00 1.00 C ATOM 0 H THR A 22 42.224 4.185 7.677 1.00 1.00 H new ATOM 0 HA THR A 22 43.900 2.930 5.594 1.00 1.00 H new ATOM 0 HB THR A 22 44.843 4.723 7.847 1.00 1.00 H new ATOM 0 HG1 THR A 22 43.358 5.385 5.522 1.00 1.00 H new ATOM 0 HG21 THR A 22 46.547 5.324 6.153 1.00 1.00 H new ATOM 0 HG22 THR A 22 46.508 3.566 6.424 1.00 1.00 H new ATOM 0 HG23 THR A 22 45.749 4.259 4.971 1.00 1.00 H new ATOM 311 N ASP A 23 43.544 1.964 8.630 1.00 1.00 N ATOM 312 CA ASP A 23 43.919 0.957 9.615 1.00 1.00 C ATOM 313 C ASP A 23 42.756 0.005 9.871 1.00 1.00 C ATOM 314 O ASP A 23 42.707 -0.672 10.898 1.00 1.00 O ATOM 315 CB ASP A 23 44.324 1.635 10.925 1.00 1.00 C ATOM 316 CG ASP A 23 45.772 2.105 10.843 1.00 1.00 C ATOM 317 OD1 ASP A 23 45.995 3.184 10.320 1.00 1.00 O ATOM 318 OD2 ASP A 23 46.637 1.378 11.303 1.00 1.00 O ATOM 0 H ASP A 23 42.664 2.441 8.826 1.00 1.00 H new ATOM 0 HA ASP A 23 44.763 0.388 9.226 1.00 1.00 H new ATOM 0 HB2 ASP A 23 43.668 2.483 11.123 1.00 1.00 H new ATOM 0 HB3 ASP A 23 44.205 0.940 11.756 1.00 1.00 H new ATOM 323 N TRP A 24 41.820 -0.041 8.928 1.00 1.00 N ATOM 324 CA TRP A 24 40.660 -0.914 9.057 1.00 1.00 C ATOM 325 C TRP A 24 41.092 -2.338 9.403 1.00 1.00 C ATOM 326 O TRP A 24 41.412 -2.634 10.555 1.00 1.00 O ATOM 327 CB TRP A 24 39.850 -0.911 7.755 1.00 1.00 C ATOM 328 CG TRP A 24 40.767 -0.752 6.581 1.00 1.00 C ATOM 329 CD1 TRP A 24 42.053 -1.172 6.531 1.00 1.00 C ATOM 330 CD2 TRP A 24 40.487 -0.136 5.291 1.00 1.00 C ATOM 331 NE1 TRP A 24 42.578 -0.854 5.291 1.00 1.00 N ATOM 332 CE2 TRP A 24 41.652 -0.214 4.492 1.00 1.00 C ATOM 333 CE3 TRP A 24 39.346 0.476 4.742 1.00 1.00 C ATOM 334 CZ2 TRP A 24 41.684 0.298 3.194 1.00 1.00 C ATOM 335 CZ3 TRP A 24 39.375 0.992 3.436 1.00 1.00 C ATOM 336 CH2 TRP A 24 40.542 0.903 2.664 1.00 1.00 C ATOM 0 H TRP A 24 41.842 0.513 8.072 1.00 1.00 H new ATOM 0 HA TRP A 24 40.034 -0.537 9.866 1.00 1.00 H new ATOM 0 HB2 TRP A 24 39.288 -1.841 7.665 1.00 1.00 H new ATOM 0 HB3 TRP A 24 39.123 -0.099 7.771 1.00 1.00 H new ATOM 0 HD1 TRP A 24 42.582 -1.673 7.328 1.00 1.00 H new ATOM 0 HE1 TRP A 24 43.533 -1.067 5.002 1.00 1.00 H new ATOM 0 HE3 TRP A 24 38.442 0.550 5.328 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 42.585 0.227 2.603 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 38.493 1.460 3.024 1.00 1.00 H new ATOM 0 HH2 TRP A 24 40.558 1.302 1.660 1.00 1.00 H new ATOM 347 N LYS A 25 41.100 -3.216 8.405 1.00 1.00 N ATOM 348 CA LYS A 25 41.496 -4.603 8.625 1.00 1.00 C ATOM 349 C LYS A 25 43.007 -4.707 8.810 1.00 1.00 C ATOM 350 O LYS A 25 43.719 -5.183 7.926 1.00 1.00 O ATOM 351 CB LYS A 25 41.061 -5.464 7.439 1.00 1.00 C ATOM 352 CG LYS A 25 41.620 -4.876 6.143 1.00 1.00 C ATOM 353 CD LYS A 25 42.354 -5.968 5.365 1.00 1.00 C ATOM 354 CE LYS A 25 42.938 -5.377 4.080 1.00 1.00 C ATOM 355 NZ LYS A 25 43.940 -6.321 3.510 1.00 1.00 N ATOM 0 H LYS A 25 40.839 -2.995 7.444 1.00 1.00 H new ATOM 0 HA LYS A 25 41.007 -4.962 9.531 1.00 1.00 H new ATOM 0 HB2 LYS A 25 41.417 -6.486 7.569 1.00 1.00 H new ATOM 0 HB3 LYS A 25 39.973 -5.509 7.390 1.00 1.00 H new ATOM 0 HG2 LYS A 25 40.811 -4.465 5.539 1.00 1.00 H new ATOM 0 HG3 LYS A 25 42.300 -4.054 6.367 1.00 1.00 H new ATOM 0 HD2 LYS A 25 43.150 -6.392 5.977 1.00 1.00 H new ATOM 0 HD3 LYS A 25 41.669 -6.781 5.125 1.00 1.00 H new ATOM 0 HE2 LYS A 25 42.143 -5.194 3.357 1.00 1.00 H new ATOM 0 HE3 LYS A 25 43.406 -4.415 4.289 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 44.337 -5.920 2.637 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 44.704 -6.474 4.199 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 43.479 -7.229 3.296 1.00 1.00 H new ATOM 369 N SER A 26 43.489 -4.257 9.964 1.00 1.00 N ATOM 370 CA SER A 26 44.917 -4.306 10.254 1.00 1.00 C ATOM 371 C SER A 26 45.165 -4.158 11.752 1.00 1.00 C ATOM 372 O SER A 26 45.855 -4.977 12.360 1.00 1.00 O ATOM 373 CB SER A 26 45.640 -3.187 9.503 1.00 1.00 C ATOM 374 OG SER A 26 47.018 -3.204 9.850 1.00 1.00 O ATOM 0 H SER A 26 42.917 -3.857 10.708 1.00 1.00 H new ATOM 0 HA SER A 26 45.302 -5.272 9.927 1.00 1.00 H new ATOM 0 HB2 SER A 26 45.522 -3.320 8.428 1.00 1.00 H new ATOM 0 HB3 SER A 26 45.201 -2.221 9.755 1.00 1.00 H new ATOM 0 HG SER A 26 47.485 -2.489 9.369 1.00 1.00 H new ATOM 380 N SER A 27 44.599 -3.109 12.340 1.00 1.00 N ATOM 381 CA SER A 27 44.766 -2.863 13.768 1.00 1.00 C ATOM 382 C SER A 27 44.000 -1.613 14.189 1.00 1.00 C ATOM 383 O SER A 27 44.391 -0.923 15.131 1.00 1.00 O ATOM 384 CB SER A 27 46.249 -2.693 14.098 1.00 1.00 C ATOM 385 OG SER A 27 46.856 -1.866 13.115 1.00 1.00 O ATOM 0 H SER A 27 44.025 -2.420 11.854 1.00 1.00 H new ATOM 0 HA SER A 27 44.369 -3.718 14.315 1.00 1.00 H new ATOM 0 HB2 SER A 27 46.365 -2.248 15.086 1.00 1.00 H new ATOM 0 HB3 SER A 27 46.741 -3.665 14.126 1.00 1.00 H new ATOM 0 HG SER A 27 47.807 -1.753 13.324 1.00 1.00 H new ATOM 391 N GLY A 28 42.909 -1.329 13.484 1.00 1.00 N ATOM 392 CA GLY A 28 42.091 -0.160 13.788 1.00 1.00 C ATOM 393 C GLY A 28 40.732 -0.576 14.337 1.00 1.00 C ATOM 394 O GLY A 28 39.768 0.188 14.278 1.00 1.00 O ATOM 0 H GLY A 28 42.572 -1.890 12.701 1.00 1.00 H new ATOM 0 HA2 GLY A 28 42.604 0.469 14.515 1.00 1.00 H new ATOM 0 HA3 GLY A 28 41.956 0.439 12.887 1.00 1.00 H new ATOM 398 N ALA A 29 40.664 -1.794 14.871 1.00 1.00 N ATOM 399 CA ALA A 29 39.418 -2.309 15.431 1.00 1.00 C ATOM 400 C ALA A 29 39.631 -2.794 16.862 1.00 1.00 C ATOM 401 O ALA A 29 38.768 -3.460 17.435 1.00 1.00 O ATOM 402 CB ALA A 29 38.898 -3.464 14.573 1.00 1.00 C ATOM 0 H ALA A 29 41.452 -2.439 14.927 1.00 1.00 H new ATOM 0 HA ALA A 29 38.686 -1.502 15.438 1.00 1.00 H new ATOM 0 HB1 ALA A 29 37.968 -3.843 14.997 1.00 1.00 H new ATOM 0 HB2 ALA A 29 38.716 -3.110 13.558 1.00 1.00 H new ATOM 0 HB3 ALA A 29 39.639 -4.263 14.551 1.00 1.00 H new ATOM 408 N LEU A 30 40.784 -2.452 17.431 1.00 1.00 N ATOM 409 CA LEU A 30 41.108 -2.852 18.798 1.00 1.00 C ATOM 410 C LEU A 30 41.378 -1.625 19.662 1.00 1.00 C ATOM 411 O LEU A 30 41.026 -1.594 20.841 1.00 1.00 O ATOM 412 CB LEU A 30 42.340 -3.760 18.801 1.00 1.00 C ATOM 413 CG LEU A 30 43.522 -3.028 18.162 1.00 1.00 C ATOM 414 CD1 LEU A 30 44.483 -2.557 19.254 1.00 1.00 C ATOM 415 CD2 LEU A 30 44.258 -3.980 17.215 1.00 1.00 C ATOM 0 H LEU A 30 41.507 -1.901 16.969 1.00 1.00 H new ATOM 0 HA LEU A 30 40.257 -3.395 19.209 1.00 1.00 H new ATOM 0 HB2 LEU A 30 42.588 -4.049 19.822 1.00 1.00 H new ATOM 0 HB3 LEU A 30 42.129 -4.678 18.252 1.00 1.00 H new ATOM 0 HG LEU A 30 43.156 -2.166 17.604 1.00 1.00 H new ATOM 0 HD11 LEU A 30 45.325 -2.036 18.798 1.00 1.00 H new ATOM 0 HD12 LEU A 30 43.961 -1.881 19.931 1.00 1.00 H new ATOM 0 HD13 LEU A 30 44.849 -3.418 19.813 1.00 1.00 H new ATOM 0 HD21 LEU A 30 45.100 -3.460 16.759 1.00 1.00 H new ATOM 0 HD22 LEU A 30 44.623 -4.841 17.776 1.00 1.00 H new ATOM 0 HD23 LEU A 30 43.575 -4.318 16.436 1.00 1.00 H new ATOM 427 N ILE A 31 42.000 -0.614 19.066 1.00 1.00 N ATOM 428 CA ILE A 31 42.309 0.614 19.788 1.00 1.00 C ATOM 429 C ILE A 31 41.035 1.423 20.053 1.00 1.00 C ATOM 430 O ILE A 31 40.874 1.990 21.135 1.00 1.00 O ATOM 431 CB ILE A 31 43.339 1.441 18.990 1.00 1.00 C ATOM 432 CG1 ILE A 31 44.715 1.337 19.667 1.00 1.00 C ATOM 433 CG2 ILE A 31 42.921 2.918 18.889 1.00 1.00 C ATOM 434 CD1 ILE A 31 44.741 2.146 20.971 1.00 1.00 C ATOM 0 H ILE A 31 42.299 -0.620 18.091 1.00 1.00 H new ATOM 0 HA ILE A 31 42.742 0.359 20.755 1.00 1.00 H new ATOM 0 HB ILE A 31 43.389 1.037 17.979 1.00 1.00 H new ATOM 0 HG12 ILE A 31 44.944 0.292 19.877 1.00 1.00 H new ATOM 0 HG13 ILE A 31 45.487 1.703 18.991 1.00 1.00 H new ATOM 0 HG21 ILE A 31 43.670 3.470 18.321 1.00 1.00 H new ATOM 0 HG22 ILE A 31 41.957 2.990 18.385 1.00 1.00 H new ATOM 0 HG23 ILE A 31 42.840 3.342 19.890 1.00 1.00 H new ATOM 0 HD11 ILE A 31 45.724 2.059 21.434 1.00 1.00 H new ATOM 0 HD12 ILE A 31 44.534 3.194 20.753 1.00 1.00 H new ATOM 0 HD13 ILE A 31 43.983 1.761 21.653 1.00 1.00 H new ATOM 446 N PRO A 32 40.133 1.494 19.103 1.00 1.00 N ATOM 447 CA PRO A 32 38.861 2.260 19.266 1.00 1.00 C ATOM 448 C PRO A 32 38.046 1.772 20.461 1.00 1.00 C ATOM 449 O PRO A 32 37.457 2.569 21.190 1.00 1.00 O ATOM 450 CB PRO A 32 38.104 2.018 17.955 1.00 1.00 C ATOM 451 CG PRO A 32 39.135 1.576 16.971 1.00 1.00 C ATOM 452 CD PRO A 32 40.216 0.862 17.777 1.00 1.00 C ATOM 0 HA PRO A 32 39.049 3.316 19.460 1.00 1.00 H new ATOM 0 HB2 PRO A 32 37.333 1.258 18.082 1.00 1.00 H new ATOM 0 HB3 PRO A 32 37.604 2.926 17.618 1.00 1.00 H new ATOM 0 HG2 PRO A 32 38.701 0.909 16.226 1.00 1.00 H new ATOM 0 HG3 PRO A 32 39.550 2.428 16.433 1.00 1.00 H new ATOM 0 HD2 PRO A 32 40.032 -0.211 17.832 1.00 1.00 H new ATOM 0 HD3 PRO A 32 41.202 0.994 17.331 1.00 1.00 H new ATOM 460 N ALA A 33 38.017 0.457 20.653 1.00 1.00 N ATOM 461 CA ALA A 33 37.271 -0.125 21.763 1.00 1.00 C ATOM 462 C ALA A 33 37.779 0.417 23.094 1.00 1.00 C ATOM 463 O ALA A 33 37.013 0.571 24.045 1.00 1.00 O ATOM 464 CB ALA A 33 37.412 -1.649 21.744 1.00 1.00 C ATOM 0 H ALA A 33 38.497 -0.220 20.060 1.00 1.00 H new ATOM 0 HA ALA A 33 36.221 0.145 21.651 1.00 1.00 H new ATOM 0 HB1 ALA A 33 36.852 -2.077 22.576 1.00 1.00 H new ATOM 0 HB2 ALA A 33 37.020 -2.039 20.805 1.00 1.00 H new ATOM 0 HB3 ALA A 33 38.464 -1.918 21.838 1.00 1.00 H new ATOM 470 N ILE A 34 39.074 0.708 23.155 1.00 1.00 N ATOM 471 CA ILE A 34 39.673 1.234 24.376 1.00 1.00 C ATOM 472 C ILE A 34 39.641 2.759 24.373 1.00 1.00 C ATOM 473 O ILE A 34 39.931 3.398 25.385 1.00 1.00 O ATOM 474 CB ILE A 34 41.120 0.753 24.497 1.00 1.00 C ATOM 475 CG1 ILE A 34 41.132 -0.731 24.870 1.00 1.00 C ATOM 476 CG2 ILE A 34 41.836 1.557 25.584 1.00 1.00 C ATOM 477 CD1 ILE A 34 42.293 -1.427 24.157 1.00 1.00 C ATOM 0 H ILE A 34 39.725 0.590 22.379 1.00 1.00 H new ATOM 0 HA ILE A 34 39.097 0.871 25.227 1.00 1.00 H new ATOM 0 HB ILE A 34 41.631 0.894 23.545 1.00 1.00 H new ATOM 0 HG12 ILE A 34 41.233 -0.845 25.949 1.00 1.00 H new ATOM 0 HG13 ILE A 34 40.187 -1.195 24.588 1.00 1.00 H new ATOM 0 HG21 ILE A 34 42.867 1.214 25.670 1.00 1.00 H new ATOM 0 HG22 ILE A 34 41.826 2.615 25.320 1.00 1.00 H new ATOM 0 HG23 ILE A 34 41.326 1.416 26.537 1.00 1.00 H new ATOM 0 HD11 ILE A 34 42.302 -2.484 24.423 1.00 1.00 H new ATOM 0 HD12 ILE A 34 42.172 -1.325 23.079 1.00 1.00 H new ATOM 0 HD13 ILE A 34 43.234 -0.969 24.461 1.00 1.00 H new ATOM 489 N TYR A 35 39.287 3.336 23.230 1.00 1.00 N ATOM 490 CA TYR A 35 39.221 4.788 23.105 1.00 1.00 C ATOM 491 C TYR A 35 37.903 5.317 23.661 1.00 1.00 C ATOM 492 O TYR A 35 37.866 6.367 24.302 1.00 1.00 O ATOM 493 CB TYR A 35 39.354 5.190 21.636 1.00 1.00 C ATOM 494 CG TYR A 35 39.879 6.604 21.544 1.00 1.00 C ATOM 495 CD1 TYR A 35 39.021 7.686 21.773 1.00 1.00 C ATOM 496 CD2 TYR A 35 41.224 6.831 21.230 1.00 1.00 C ATOM 497 CE1 TYR A 35 39.508 8.995 21.688 1.00 1.00 C ATOM 498 CE2 TYR A 35 41.711 8.141 21.144 1.00 1.00 C ATOM 499 CZ TYR A 35 40.853 9.223 21.372 1.00 1.00 C ATOM 500 OH TYR A 35 41.333 10.514 21.288 1.00 1.00 O ATOM 0 H TYR A 35 39.043 2.825 22.382 1.00 1.00 H new ATOM 0 HA TYR A 35 40.042 5.220 23.678 1.00 1.00 H new ATOM 0 HB2 TYR A 35 40.029 4.506 21.121 1.00 1.00 H new ATOM 0 HB3 TYR A 35 38.386 5.117 21.139 1.00 1.00 H new ATOM 0 HD1 TYR A 35 37.983 7.511 22.015 1.00 1.00 H new ATOM 0 HD2 TYR A 35 41.886 5.996 21.054 1.00 1.00 H new ATOM 0 HE1 TYR A 35 38.846 9.830 21.866 1.00 1.00 H new ATOM 0 HE2 TYR A 35 42.749 8.316 20.902 1.00 1.00 H new ATOM 0 HH TYR A 35 42.286 10.494 21.061 1.00 1.00 H new ATOM 510 N MET A 36 36.823 4.584 23.411 1.00 1.00 N ATOM 511 CA MET A 36 35.508 4.991 23.892 1.00 1.00 C ATOM 512 C MET A 36 35.340 4.635 25.364 1.00 1.00 C ATOM 513 O MET A 36 34.685 5.357 26.115 1.00 1.00 O ATOM 514 CB MET A 36 34.417 4.304 23.070 1.00 1.00 C ATOM 515 CG MET A 36 34.813 4.310 21.593 1.00 1.00 C ATOM 516 SD MET A 36 33.352 4.637 20.577 1.00 1.00 S ATOM 517 CE MET A 36 33.580 6.426 20.422 1.00 1.00 C ATOM 0 H MET A 36 36.832 3.712 22.882 1.00 1.00 H new ATOM 0 HA MET A 36 35.420 6.072 23.781 1.00 1.00 H new ATOM 0 HB2 MET A 36 34.276 3.280 23.416 1.00 1.00 H new ATOM 0 HB3 MET A 36 33.466 4.819 23.205 1.00 1.00 H new ATOM 0 HG2 MET A 36 35.572 5.071 21.412 1.00 1.00 H new ATOM 0 HG3 MET A 36 35.252 3.350 21.319 1.00 1.00 H new ATOM 0 HE1 MET A 36 32.773 6.845 19.820 1.00 1.00 H new ATOM 0 HE2 MET A 36 33.568 6.881 21.412 1.00 1.00 H new ATOM 0 HE3 MET A 36 34.536 6.631 19.940 1.00 1.00 H new ATOM 527 N LEU A 37 35.936 3.520 25.771 1.00 1.00 N ATOM 528 CA LEU A 37 35.842 3.082 27.159 1.00 1.00 C ATOM 529 C LEU A 37 36.256 4.209 28.100 1.00 1.00 C ATOM 530 O LEU A 37 35.967 4.169 29.295 1.00 1.00 O ATOM 531 CB LEU A 37 36.744 1.866 27.386 1.00 1.00 C ATOM 532 CG LEU A 37 35.881 0.638 27.684 1.00 1.00 C ATOM 533 CD1 LEU A 37 34.955 0.359 26.498 1.00 1.00 C ATOM 534 CD2 LEU A 37 36.787 -0.574 27.918 1.00 1.00 C ATOM 0 H LEU A 37 36.484 2.908 25.167 1.00 1.00 H new ATOM 0 HA LEU A 37 34.808 2.808 27.368 1.00 1.00 H new ATOM 0 HB2 LEU A 37 37.359 1.686 26.504 1.00 1.00 H new ATOM 0 HB3 LEU A 37 37.425 2.055 28.216 1.00 1.00 H new ATOM 0 HG LEU A 37 35.281 0.825 28.575 1.00 1.00 H new ATOM 0 HD11 LEU A 37 34.342 -0.516 26.713 1.00 1.00 H new ATOM 0 HD12 LEU A 37 34.310 1.221 26.329 1.00 1.00 H new ATOM 0 HD13 LEU A 37 35.553 0.173 25.606 1.00 1.00 H new ATOM 0 HD21 LEU A 37 36.175 -1.450 28.131 1.00 1.00 H new ATOM 0 HD22 LEU A 37 37.386 -0.758 27.026 1.00 1.00 H new ATOM 0 HD23 LEU A 37 37.446 -0.378 28.764 1.00 1.00 H new ATOM 546 N VAL A 38 36.930 5.213 27.549 1.00 1.00 N ATOM 547 CA VAL A 38 37.375 6.349 28.347 1.00 1.00 C ATOM 548 C VAL A 38 36.460 7.547 28.118 1.00 1.00 C ATOM 549 O VAL A 38 36.497 8.522 28.870 1.00 1.00 O ATOM 550 CB VAL A 38 38.810 6.721 27.971 1.00 1.00 C ATOM 551 CG1 VAL A 38 39.283 7.883 28.846 1.00 1.00 C ATOM 552 CG2 VAL A 38 39.724 5.513 28.194 1.00 1.00 C ATOM 0 H VAL A 38 37.178 5.263 26.561 1.00 1.00 H new ATOM 0 HA VAL A 38 37.338 6.070 29.400 1.00 1.00 H new ATOM 0 HB VAL A 38 38.845 7.017 26.923 1.00 1.00 H new ATOM 0 HG11 VAL A 38 40.306 8.148 28.578 1.00 1.00 H new ATOM 0 HG12 VAL A 38 38.633 8.744 28.690 1.00 1.00 H new ATOM 0 HG13 VAL A 38 39.248 7.587 29.894 1.00 1.00 H new ATOM 0 HG21 VAL A 38 40.747 5.777 27.926 1.00 1.00 H new ATOM 0 HG22 VAL A 38 39.688 5.218 29.243 1.00 1.00 H new ATOM 0 HG23 VAL A 38 39.389 4.683 27.572 1.00 1.00 H new ATOM 562 N PHE A 39 35.639 7.465 27.078 1.00 1.00 N ATOM 563 CA PHE A 39 34.714 8.546 26.757 1.00 1.00 C ATOM 564 C PHE A 39 33.344 8.277 27.372 1.00 1.00 C ATOM 565 O PHE A 39 32.889 9.018 28.243 1.00 1.00 O ATOM 566 CB PHE A 39 34.577 8.685 25.240 1.00 1.00 C ATOM 567 CG PHE A 39 34.073 10.068 24.904 1.00 1.00 C ATOM 568 CD1 PHE A 39 32.700 10.340 24.946 1.00 1.00 C ATOM 569 CD2 PHE A 39 34.977 11.077 24.552 1.00 1.00 C ATOM 570 CE1 PHE A 39 32.231 11.624 24.635 1.00 1.00 C ATOM 571 CE2 PHE A 39 34.508 12.359 24.240 1.00 1.00 C ATOM 572 CZ PHE A 39 33.136 12.632 24.282 1.00 1.00 C ATOM 0 H PHE A 39 35.594 6.666 26.445 1.00 1.00 H new ATOM 0 HA PHE A 39 35.110 9.473 27.171 1.00 1.00 H new ATOM 0 HB2 PHE A 39 35.540 8.511 24.760 1.00 1.00 H new ATOM 0 HB3 PHE A 39 33.888 7.932 24.856 1.00 1.00 H new ATOM 0 HD1 PHE A 39 32.003 9.561 25.218 1.00 1.00 H new ATOM 0 HD2 PHE A 39 36.036 10.867 24.521 1.00 1.00 H new ATOM 0 HE1 PHE A 39 31.172 11.835 24.668 1.00 1.00 H new ATOM 0 HE2 PHE A 39 35.205 13.137 23.967 1.00 1.00 H new ATOM 0 HZ PHE A 39 32.775 13.621 24.042 1.00 1.00 H new ATOM 582 N LEU A 40 32.693 7.213 26.914 1.00 1.00 N ATOM 583 CA LEU A 40 31.377 6.858 27.431 1.00 1.00 C ATOM 584 C LEU A 40 31.406 6.786 28.954 1.00 1.00 C ATOM 585 O LEU A 40 30.367 6.860 29.610 1.00 1.00 O ATOM 586 CB LEU A 40 30.930 5.510 26.858 1.00 1.00 C ATOM 587 CG LEU A 40 31.944 4.426 27.233 1.00 1.00 C ATOM 588 CD1 LEU A 40 31.390 3.580 28.381 1.00 1.00 C ATOM 589 CD2 LEU A 40 32.196 3.528 26.020 1.00 1.00 C ATOM 0 H LEU A 40 33.051 6.587 26.193 1.00 1.00 H new ATOM 0 HA LEU A 40 30.668 7.628 27.127 1.00 1.00 H new ATOM 0 HB2 LEU A 40 29.945 5.249 27.244 1.00 1.00 H new ATOM 0 HB3 LEU A 40 30.840 5.577 25.774 1.00 1.00 H new ATOM 0 HG LEU A 40 32.877 4.895 27.545 1.00 1.00 H new ATOM 0 HD11 LEU A 40 32.113 2.809 28.647 1.00 1.00 H new ATOM 0 HD12 LEU A 40 31.205 4.217 29.246 1.00 1.00 H new ATOM 0 HD13 LEU A 40 30.457 3.111 28.070 1.00 1.00 H new ATOM 0 HD21 LEU A 40 32.918 2.755 26.283 1.00 1.00 H new ATOM 0 HD22 LEU A 40 31.260 3.061 25.712 1.00 1.00 H new ATOM 0 HD23 LEU A 40 32.590 4.127 25.199 1.00 1.00 H new ATOM 601 N LEU A 41 32.604 6.645 29.510 1.00 1.00 N ATOM 602 CA LEU A 41 32.761 6.567 30.958 1.00 1.00 C ATOM 603 C LEU A 41 32.538 7.937 31.590 1.00 1.00 C ATOM 604 O LEU A 41 31.810 8.067 32.574 1.00 1.00 O ATOM 605 CB LEU A 41 34.164 6.065 31.304 1.00 1.00 C ATOM 606 CG LEU A 41 34.061 4.820 32.187 1.00 1.00 C ATOM 607 CD1 LEU A 41 35.464 4.294 32.497 1.00 1.00 C ATOM 608 CD2 LEU A 41 33.354 5.180 33.494 1.00 1.00 C ATOM 0 H LEU A 41 33.476 6.583 28.984 1.00 1.00 H new ATOM 0 HA LEU A 41 32.020 5.871 31.351 1.00 1.00 H new ATOM 0 HB2 LEU A 41 34.713 5.832 30.392 1.00 1.00 H new ATOM 0 HB3 LEU A 41 34.723 6.845 31.821 1.00 1.00 H new ATOM 0 HG LEU A 41 33.492 4.051 31.664 1.00 1.00 H new ATOM 0 HD11 LEU A 41 35.389 3.407 33.126 1.00 1.00 H new ATOM 0 HD12 LEU A 41 35.970 4.037 31.566 1.00 1.00 H new ATOM 0 HD13 LEU A 41 36.033 5.063 33.020 1.00 1.00 H new ATOM 0 HD21 LEU A 41 33.280 4.293 34.124 1.00 1.00 H new ATOM 0 HD22 LEU A 41 33.923 5.949 34.016 1.00 1.00 H new ATOM 0 HD23 LEU A 41 32.354 5.554 33.276 1.00 1.00 H new ATOM 620 N GLY A 42 33.170 8.955 31.016 1.00 1.00 N ATOM 621 CA GLY A 42 33.032 10.313 31.529 1.00 1.00 C ATOM 622 C GLY A 42 31.769 10.970 30.985 1.00 1.00 C ATOM 623 O GLY A 42 31.559 12.170 31.156 1.00 1.00 O ATOM 0 H GLY A 42 33.778 8.867 30.202 1.00 1.00 H new ATOM 0 HA2 GLY A 42 32.997 10.294 32.618 1.00 1.00 H new ATOM 0 HA3 GLY A 42 33.904 10.903 31.248 1.00 1.00 H new ATOM 627 N THR A 43 30.932 10.173 30.328 1.00 1.00 N ATOM 628 CA THR A 43 29.691 10.686 29.761 1.00 1.00 C ATOM 629 C THR A 43 28.569 9.664 29.909 1.00 1.00 C ATOM 630 O THR A 43 28.315 9.164 31.005 1.00 1.00 O ATOM 631 CB THR A 43 29.892 11.018 28.280 1.00 1.00 C ATOM 632 OG1 THR A 43 31.052 11.824 28.131 1.00 1.00 O ATOM 633 CG2 THR A 43 28.671 11.774 27.757 1.00 1.00 C ATOM 0 H THR A 43 31.089 9.177 30.176 1.00 1.00 H new ATOM 0 HA THR A 43 29.414 11.591 30.302 1.00 1.00 H new ATOM 0 HB THR A 43 30.016 10.096 27.712 1.00 1.00 H new ATOM 0 HG1 THR A 43 31.360 11.785 27.201 1.00 1.00 H new ATOM 0 HG21 THR A 43 28.814 12.011 26.703 1.00 1.00 H new ATOM 0 HG22 THR A 43 27.782 11.154 27.873 1.00 1.00 H new ATOM 0 HG23 THR A 43 28.545 12.697 28.322 1.00 1.00 H new ATOM 641 N THR A 44 27.899 9.359 28.801 1.00 1.00 N ATOM 642 CA THR A 44 26.803 8.396 28.816 1.00 1.00 C ATOM 643 C THR A 44 25.733 8.816 29.818 1.00 1.00 C ATOM 644 O THR A 44 24.705 9.380 29.445 1.00 1.00 O ATOM 645 CB THR A 44 27.332 7.009 29.185 1.00 1.00 C ATOM 646 OG1 THR A 44 28.341 6.629 28.261 1.00 1.00 O ATOM 647 CG2 THR A 44 26.187 5.995 29.139 1.00 1.00 C ATOM 0 H THR A 44 28.095 9.763 27.885 1.00 1.00 H new ATOM 0 HA THR A 44 26.360 8.364 27.821 1.00 1.00 H new ATOM 0 HB THR A 44 27.751 7.035 30.191 1.00 1.00 H new ATOM 0 HG1 THR A 44 29.112 6.270 28.748 1.00 1.00 H new ATOM 0 HG21 THR A 44 26.565 5.007 29.402 1.00 1.00 H new ATOM 0 HG22 THR A 44 25.413 6.288 29.848 1.00 1.00 H new ATOM 0 HG23 THR A 44 25.766 5.967 28.134 1.00 1.00 H new ATOM 655 N GLY A 45 25.985 8.538 31.092 1.00 1.00 N ATOM 656 CA GLY A 45 25.043 8.892 32.145 1.00 1.00 C ATOM 657 C GLY A 45 25.786 9.326 33.400 1.00 1.00 C ATOM 658 O GLY A 45 25.594 8.761 34.478 1.00 1.00 O ATOM 0 H GLY A 45 26.830 8.070 31.419 1.00 1.00 H new ATOM 0 HA2 GLY A 45 24.392 9.697 31.804 1.00 1.00 H new ATOM 0 HA3 GLY A 45 24.403 8.039 32.371 1.00 1.00 H new ATOM 662 N ASN A 46 26.639 10.330 33.249 1.00 1.00 N ATOM 663 CA ASN A 46 27.417 10.837 34.366 1.00 1.00 C ATOM 664 C ASN A 46 27.609 12.345 34.234 1.00 1.00 C ATOM 665 O ASN A 46 28.195 12.828 33.265 1.00 1.00 O ATOM 666 CB ASN A 46 28.776 10.137 34.411 1.00 1.00 C ATOM 667 CG ASN A 46 29.899 11.160 34.301 1.00 1.00 C ATOM 668 OD1 ASN A 46 30.272 11.578 33.123 1.00 1.00 O flip ATOM 669 ND2 ASN A 46 30.446 11.598 35.314 1.00 1.00 N flip ATOM 0 H ASN A 46 26.808 10.808 32.364 1.00 1.00 H new ATOM 0 HA ASN A 46 26.880 10.633 35.292 1.00 1.00 H new ATOM 0 HB2 ASN A 46 28.874 9.577 35.341 1.00 1.00 H new ATOM 0 HB3 ASN A 46 28.849 9.417 33.596 1.00 1.00 H new ATOM 0 HD21 ASN A 46 30.153 11.270 36.234 1.00 1.00 H new ATOM 0 HD22 ASN A 46 31.192 12.289 35.233 1.00 1.00 H new ATOM 676 N GLY A 47 27.100 13.081 35.212 1.00 1.00 N ATOM 677 CA GLY A 47 27.213 14.535 35.200 1.00 1.00 C ATOM 678 C GLY A 47 26.287 15.144 34.153 1.00 1.00 C ATOM 679 O GLY A 47 25.455 15.998 34.466 1.00 1.00 O ATOM 0 H GLY A 47 26.607 12.700 36.020 1.00 1.00 H new ATOM 0 HA2 GLY A 47 26.965 14.931 36.185 1.00 1.00 H new ATOM 0 HA3 GLY A 47 28.244 14.822 34.991 1.00 1.00 H new ATOM 683 N LEU A 48 26.435 14.702 32.909 1.00 1.00 N ATOM 684 CA LEU A 48 25.606 15.212 31.824 1.00 1.00 C ATOM 685 C LEU A 48 24.126 15.077 32.171 1.00 1.00 C ATOM 686 O LEU A 48 23.358 16.028 32.035 1.00 1.00 O ATOM 687 CB LEU A 48 25.902 14.445 30.533 1.00 1.00 C ATOM 688 CG LEU A 48 26.080 15.435 29.380 1.00 1.00 C ATOM 689 CD1 LEU A 48 27.383 16.218 29.562 1.00 1.00 C ATOM 690 CD2 LEU A 48 26.130 14.668 28.056 1.00 1.00 C ATOM 0 H LEU A 48 27.116 13.997 32.628 1.00 1.00 H new ATOM 0 HA LEU A 48 25.839 16.267 31.680 1.00 1.00 H new ATOM 0 HB2 LEU A 48 26.804 13.844 30.653 1.00 1.00 H new ATOM 0 HB3 LEU A 48 25.087 13.756 30.312 1.00 1.00 H new ATOM 0 HG LEU A 48 25.241 16.131 29.372 1.00 1.00 H new ATOM 0 HD11 LEU A 48 27.503 16.921 28.738 1.00 1.00 H new ATOM 0 HD12 LEU A 48 27.350 16.766 30.504 1.00 1.00 H new ATOM 0 HD13 LEU A 48 28.225 15.526 29.574 1.00 1.00 H new ATOM 0 HD21 LEU A 48 26.257 15.371 27.233 1.00 1.00 H new ATOM 0 HD22 LEU A 48 26.968 13.971 28.071 1.00 1.00 H new ATOM 0 HD23 LEU A 48 25.201 14.115 27.921 1.00 1.00 H new ATOM 702 N VAL A 49 23.734 13.889 32.620 1.00 1.00 N ATOM 703 CA VAL A 49 22.343 13.644 32.983 1.00 1.00 C ATOM 704 C VAL A 49 21.782 14.821 33.775 1.00 1.00 C ATOM 705 O VAL A 49 20.746 15.382 33.419 1.00 1.00 O ATOM 706 CB VAL A 49 22.238 12.368 33.819 1.00 1.00 C ATOM 707 CG1 VAL A 49 20.915 12.368 34.587 1.00 1.00 C ATOM 708 CG2 VAL A 49 22.289 11.149 32.895 1.00 1.00 C ATOM 0 H VAL A 49 24.353 13.088 32.740 1.00 1.00 H new ATOM 0 HA VAL A 49 21.763 13.526 32.068 1.00 1.00 H new ATOM 0 HB VAL A 49 23.068 12.327 34.524 1.00 1.00 H new ATOM 0 HG11 VAL A 49 20.840 11.458 35.183 1.00 1.00 H new ATOM 0 HG12 VAL A 49 20.876 13.237 35.244 1.00 1.00 H new ATOM 0 HG13 VAL A 49 20.085 12.409 33.882 1.00 1.00 H new ATOM 0 HG21 VAL A 49 22.214 10.238 33.489 1.00 1.00 H new ATOM 0 HG22 VAL A 49 21.458 11.192 32.190 1.00 1.00 H new ATOM 0 HG23 VAL A 49 23.231 11.148 32.346 1.00 1.00 H new ATOM 718 N LEU A 50 22.475 15.190 34.847 1.00 1.00 N ATOM 719 CA LEU A 50 22.036 16.304 35.680 1.00 1.00 C ATOM 720 C LEU A 50 22.237 17.628 34.952 1.00 1.00 C ATOM 721 O LEU A 50 21.291 18.391 34.754 1.00 1.00 O ATOM 722 CB LEU A 50 22.820 16.316 36.993 1.00 1.00 C ATOM 723 CG LEU A 50 22.889 14.898 37.561 1.00 1.00 C ATOM 724 CD1 LEU A 50 24.293 14.329 37.348 1.00 1.00 C ATOM 725 CD2 LEU A 50 22.578 14.935 39.060 1.00 1.00 C ATOM 0 H LEU A 50 23.335 14.739 35.158 1.00 1.00 H new ATOM 0 HA LEU A 50 20.975 16.177 35.893 1.00 1.00 H new ATOM 0 HB2 LEU A 50 23.826 16.701 36.824 1.00 1.00 H new ATOM 0 HB3 LEU A 50 22.340 16.983 37.709 1.00 1.00 H new ATOM 0 HG LEU A 50 22.160 14.267 37.052 1.00 1.00 H new ATOM 0 HD11 LEU A 50 24.341 13.318 37.753 1.00 1.00 H new ATOM 0 HD12 LEU A 50 24.517 14.304 36.282 1.00 1.00 H new ATOM 0 HD13 LEU A 50 25.022 14.959 37.857 1.00 1.00 H new ATOM 0 HD21 LEU A 50 22.627 13.925 39.467 1.00 1.00 H new ATOM 0 HD22 LEU A 50 23.308 15.566 39.567 1.00 1.00 H new ATOM 0 HD23 LEU A 50 21.578 15.340 39.214 1.00 1.00 H new ATOM 737 N TRP A 51 23.476 17.896 34.553 1.00 1.00 N ATOM 738 CA TRP A 51 23.792 19.130 33.846 1.00 1.00 C ATOM 739 C TRP A 51 22.743 19.416 32.776 1.00 1.00 C ATOM 740 O TRP A 51 22.461 20.574 32.463 1.00 1.00 O ATOM 741 CB TRP A 51 25.175 19.022 33.198 1.00 1.00 C ATOM 742 CG TRP A 51 25.111 19.515 31.787 1.00 1.00 C ATOM 743 CD1 TRP A 51 24.663 18.796 30.731 1.00 1.00 C ATOM 744 CD2 TRP A 51 25.499 20.817 31.261 1.00 1.00 C ATOM 745 NE1 TRP A 51 24.752 19.574 29.592 1.00 1.00 N ATOM 746 CE2 TRP A 51 25.261 20.828 29.867 1.00 1.00 C ATOM 747 CE3 TRP A 51 26.029 21.978 31.853 1.00 1.00 C ATOM 748 CZ2 TRP A 51 25.540 21.951 29.087 1.00 1.00 C ATOM 749 CZ3 TRP A 51 26.311 23.110 31.071 1.00 1.00 C ATOM 750 CH2 TRP A 51 26.067 23.096 29.690 1.00 1.00 C ATOM 0 H TRP A 51 24.273 17.278 34.706 1.00 1.00 H new ATOM 0 HA TRP A 51 23.793 19.950 34.564 1.00 1.00 H new ATOM 0 HB2 TRP A 51 25.899 19.607 33.765 1.00 1.00 H new ATOM 0 HB3 TRP A 51 25.516 17.987 33.217 1.00 1.00 H new ATOM 0 HD1 TRP A 51 24.296 17.781 30.772 1.00 1.00 H new ATOM 0 HE1 TRP A 51 24.475 19.260 28.662 1.00 1.00 H new ATOM 0 HE3 TRP A 51 26.220 21.999 32.916 1.00 1.00 H new ATOM 0 HZ2 TRP A 51 25.350 21.935 28.024 1.00 1.00 H new ATOM 0 HZ3 TRP A 51 26.718 23.996 31.536 1.00 1.00 H new ATOM 0 HH2 TRP A 51 26.286 23.969 29.093 1.00 1.00 H new ATOM 761 N THR A 52 22.168 18.356 32.220 1.00 1.00 N ATOM 762 CA THR A 52 21.149 18.506 31.187 1.00 1.00 C ATOM 763 C THR A 52 19.798 18.830 31.814 1.00 1.00 C ATOM 764 O THR A 52 19.075 19.706 31.339 1.00 1.00 O ATOM 765 CB THR A 52 21.038 17.216 30.370 1.00 1.00 C ATOM 766 OG1 THR A 52 22.151 17.118 29.491 1.00 1.00 O ATOM 767 CG2 THR A 52 19.743 17.234 29.557 1.00 1.00 C ATOM 0 H THR A 52 22.387 17.390 32.464 1.00 1.00 H new ATOM 0 HA THR A 52 21.440 19.326 30.531 1.00 1.00 H new ATOM 0 HB THR A 52 21.029 16.359 31.043 1.00 1.00 H new ATOM 0 HG1 THR A 52 22.854 17.734 29.784 1.00 1.00 H new ATOM 0 HG21 THR A 52 19.665 16.315 28.976 1.00 1.00 H new ATOM 0 HG22 THR A 52 18.891 17.310 30.232 1.00 1.00 H new ATOM 0 HG23 THR A 52 19.749 18.090 28.883 1.00 1.00 H new ATOM 775 N VAL A 53 19.462 18.117 32.884 1.00 1.00 N ATOM 776 CA VAL A 53 18.195 18.336 33.573 1.00 1.00 C ATOM 777 C VAL A 53 18.103 19.769 34.083 1.00 1.00 C ATOM 778 O VAL A 53 17.091 20.165 34.662 1.00 1.00 O ATOM 779 CB VAL A 53 18.070 17.368 34.749 1.00 1.00 C ATOM 780 CG1 VAL A 53 16.729 17.588 35.455 1.00 1.00 C ATOM 781 CG2 VAL A 53 18.144 15.929 34.234 1.00 1.00 C ATOM 0 H VAL A 53 20.046 17.386 33.291 1.00 1.00 H new ATOM 0 HA VAL A 53 17.383 18.161 32.867 1.00 1.00 H new ATOM 0 HB VAL A 53 18.883 17.546 35.453 1.00 1.00 H new ATOM 0 HG11 VAL A 53 16.641 16.897 36.293 1.00 1.00 H new ATOM 0 HG12 VAL A 53 16.675 18.613 35.822 1.00 1.00 H new ATOM 0 HG13 VAL A 53 15.915 17.411 34.752 1.00 1.00 H new ATOM 0 HG21 VAL A 53 18.055 15.238 35.072 1.00 1.00 H new ATOM 0 HG22 VAL A 53 17.331 15.752 33.530 1.00 1.00 H new ATOM 0 HG23 VAL A 53 19.099 15.771 33.733 1.00 1.00 H new ATOM 791 N PHE A 54 19.166 20.537 33.865 1.00 1.00 N ATOM 792 CA PHE A 54 19.205 21.928 34.304 1.00 1.00 C ATOM 793 C PHE A 54 19.328 22.860 33.103 1.00 1.00 C ATOM 794 O PHE A 54 19.233 24.080 33.237 1.00 1.00 O ATOM 795 CB PHE A 54 20.389 22.141 35.248 1.00 1.00 C ATOM 796 CG PHE A 54 19.906 22.778 36.532 1.00 1.00 C ATOM 797 CD1 PHE A 54 19.173 23.970 36.487 1.00 1.00 C ATOM 798 CD2 PHE A 54 20.191 22.178 37.764 1.00 1.00 C ATOM 799 CE1 PHE A 54 18.724 24.561 37.674 1.00 1.00 C ATOM 800 CE2 PHE A 54 19.743 22.768 38.951 1.00 1.00 C ATOM 801 CZ PHE A 54 19.010 23.960 38.907 1.00 1.00 C ATOM 0 H PHE A 54 20.010 20.221 33.388 1.00 1.00 H new ATOM 0 HA PHE A 54 18.278 22.155 34.831 1.00 1.00 H new ATOM 0 HB2 PHE A 54 20.872 21.188 35.462 1.00 1.00 H new ATOM 0 HB3 PHE A 54 21.136 22.777 34.773 1.00 1.00 H new ATOM 0 HD1 PHE A 54 18.954 24.434 35.536 1.00 1.00 H new ATOM 0 HD2 PHE A 54 20.757 21.259 37.798 1.00 1.00 H new ATOM 0 HE1 PHE A 54 18.157 25.480 37.639 1.00 1.00 H new ATOM 0 HE2 PHE A 54 19.963 22.304 39.901 1.00 1.00 H new ATOM 0 HZ PHE A 54 18.665 24.416 39.823 1.00 1.00 H new ATOM 811 N ARG A 55 19.538 22.277 31.927 1.00 1.00 N ATOM 812 CA ARG A 55 19.668 23.067 30.708 1.00 1.00 C ATOM 813 C ARG A 55 18.307 23.248 30.046 1.00 1.00 C ATOM 814 O ARG A 55 18.088 24.207 29.306 1.00 1.00 O ATOM 815 CB ARG A 55 20.625 22.376 29.734 1.00 1.00 C ATOM 816 CG ARG A 55 22.071 22.684 30.131 1.00 1.00 C ATOM 817 CD ARG A 55 22.583 23.876 29.320 1.00 1.00 C ATOM 818 NE ARG A 55 21.746 25.048 29.560 1.00 1.00 N ATOM 819 CZ ARG A 55 21.951 25.833 30.613 1.00 1.00 C ATOM 820 NH1 ARG A 55 22.913 25.562 31.452 1.00 1.00 N ATOM 821 NH2 ARG A 55 21.191 26.876 30.805 1.00 1.00 N ATOM 0 H ARG A 55 19.621 21.269 31.793 1.00 1.00 H new ATOM 0 HA ARG A 55 20.068 24.046 30.971 1.00 1.00 H new ATOM 0 HB2 ARG A 55 20.456 21.299 29.744 1.00 1.00 H new ATOM 0 HB3 ARG A 55 20.435 22.719 28.717 1.00 1.00 H new ATOM 0 HG2 ARG A 55 22.127 22.905 31.197 1.00 1.00 H new ATOM 0 HG3 ARG A 55 22.701 21.813 29.953 1.00 1.00 H new ATOM 0 HD2 ARG A 55 23.615 24.095 29.594 1.00 1.00 H new ATOM 0 HD3 ARG A 55 22.581 23.630 28.258 1.00 1.00 H new ATOM 0 HE ARG A 55 20.992 25.268 28.909 1.00 1.00 H new ATOM 0 HH11 ARG A 55 23.508 24.748 31.300 1.00 1.00 H new ATOM 0 HH12 ARG A 55 23.070 26.165 32.260 1.00 1.00 H new ATOM 0 HH21 ARG A 55 20.441 27.088 30.148 1.00 1.00 H new ATOM 0 HH22 ARG A 55 21.347 27.479 31.613 1.00 1.00 H new ATOM 835 N LYS A 56 17.395 22.320 30.317 1.00 1.00 N ATOM 836 CA LYS A 56 16.057 22.388 29.743 1.00 1.00 C ATOM 837 C LYS A 56 15.145 23.245 30.616 1.00 1.00 C ATOM 838 O LYS A 56 14.100 23.713 30.166 1.00 1.00 O ATOM 839 CB LYS A 56 15.471 20.981 29.608 1.00 1.00 C ATOM 840 CG LYS A 56 16.587 19.993 29.260 1.00 1.00 C ATOM 841 CD LYS A 56 16.009 18.825 28.458 1.00 1.00 C ATOM 842 CE LYS A 56 16.041 19.163 26.966 1.00 1.00 C ATOM 843 NZ LYS A 56 17.456 19.304 26.520 1.00 1.00 N ATOM 0 H LYS A 56 17.556 21.518 30.926 1.00 1.00 H new ATOM 0 HA LYS A 56 16.128 22.843 28.755 1.00 1.00 H new ATOM 0 HB2 LYS A 56 14.988 20.686 30.539 1.00 1.00 H new ATOM 0 HB3 LYS A 56 14.705 20.968 28.833 1.00 1.00 H new ATOM 0 HG2 LYS A 56 17.363 20.495 28.682 1.00 1.00 H new ATOM 0 HG3 LYS A 56 17.057 19.624 30.172 1.00 1.00 H new ATOM 0 HD2 LYS A 56 16.585 17.919 28.649 1.00 1.00 H new ATOM 0 HD3 LYS A 56 14.985 18.625 28.774 1.00 1.00 H new ATOM 0 HE2 LYS A 56 15.544 18.379 26.394 1.00 1.00 H new ATOM 0 HE3 LYS A 56 15.496 20.088 26.780 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 17.550 18.950 25.547 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 17.732 20.306 26.552 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 18.075 18.754 27.150 1.00 1.00 H new ATOM 857 N LYS A 57 15.551 23.451 31.866 1.00 1.00 N ATOM 858 CA LYS A 57 14.764 24.260 32.791 1.00 1.00 C ATOM 859 C LYS A 57 15.150 25.729 32.667 1.00 1.00 C ATOM 860 O LYS A 57 15.213 26.451 33.662 1.00 1.00 O ATOM 861 CB LYS A 57 14.982 23.803 34.241 1.00 1.00 C ATOM 862 CG LYS A 57 15.337 22.312 34.291 1.00 1.00 C ATOM 863 CD LYS A 57 14.181 21.482 33.729 1.00 1.00 C ATOM 864 CE LYS A 57 13.839 20.357 34.707 1.00 1.00 C ATOM 865 NZ LYS A 57 12.894 19.405 34.058 1.00 1.00 N ATOM 0 H LYS A 57 16.413 23.072 32.259 1.00 1.00 H new ATOM 0 HA LYS A 57 13.712 24.134 32.533 1.00 1.00 H new ATOM 0 HB2 LYS A 57 15.782 24.388 34.696 1.00 1.00 H new ATOM 0 HB3 LYS A 57 14.080 23.987 34.825 1.00 1.00 H new ATOM 0 HG2 LYS A 57 16.243 22.126 33.715 1.00 1.00 H new ATOM 0 HG3 LYS A 57 15.545 22.013 35.318 1.00 1.00 H new ATOM 0 HD2 LYS A 57 13.309 22.116 33.568 1.00 1.00 H new ATOM 0 HD3 LYS A 57 14.456 21.065 32.760 1.00 1.00 H new ATOM 0 HE2 LYS A 57 14.747 19.835 35.010 1.00 1.00 H new ATOM 0 HE3 LYS A 57 13.392 20.770 35.611 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 12.661 18.640 34.723 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 12.024 19.908 33.790 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 13.337 19.002 33.208 1.00 1.00 H new ATOM 879 N GLY A 58 15.410 26.164 31.439 1.00 1.00 N ATOM 880 CA GLY A 58 15.792 27.549 31.195 1.00 1.00 C ATOM 881 C GLY A 58 14.623 28.345 30.627 1.00 1.00 C ATOM 882 O GLY A 58 14.488 28.486 29.411 1.00 1.00 O ATOM 0 H GLY A 58 15.364 25.582 30.603 1.00 1.00 H new ATOM 0 HA2 GLY A 58 16.130 28.006 32.125 1.00 1.00 H new ATOM 0 HA3 GLY A 58 16.631 27.582 30.500 1.00 1.00 H new ATOM 886 N HIS A 59 13.780 28.865 31.513 1.00 1.00 N ATOM 887 CA HIS A 59 12.624 29.645 31.087 1.00 1.00 C ATOM 888 C HIS A 59 13.070 30.957 30.448 1.00 1.00 C ATOM 889 O HIS A 59 12.312 31.591 29.714 1.00 1.00 O ATOM 890 CB HIS A 59 11.722 29.940 32.286 1.00 1.00 C ATOM 891 CG HIS A 59 11.492 28.674 33.064 1.00 1.00 C ATOM 892 ND1 HIS A 59 11.230 28.680 34.426 1.00 1.00 N ATOM 893 CD2 HIS A 59 11.480 27.354 32.688 1.00 1.00 C ATOM 894 CE1 HIS A 59 11.073 27.402 34.816 1.00 1.00 C ATOM 895 NE2 HIS A 59 11.216 26.553 33.794 1.00 1.00 N ATOM 0 H HIS A 59 13.874 28.762 32.523 1.00 1.00 H new ATOM 0 HA HIS A 59 12.069 29.065 30.350 1.00 1.00 H new ATOM 0 HB2 HIS A 59 12.183 30.693 32.925 1.00 1.00 H new ATOM 0 HB3 HIS A 59 10.770 30.349 31.947 1.00 1.00 H new ATOM 0 HD2 HIS A 59 11.650 26.992 31.685 1.00 1.00 H new ATOM 0 HE1 HIS A 59 10.858 27.099 35.830 1.00 1.00 H new ATOM 0 HE2 HIS A 59 11.146 25.536 33.820 1.00 1.00 H new ATOM 903 N HIS A 60 14.304 31.360 30.734 1.00 1.00 N ATOM 904 CA HIS A 60 14.840 32.598 30.182 1.00 1.00 C ATOM 905 C HIS A 60 14.715 32.606 28.662 1.00 1.00 C ATOM 906 O HIS A 60 15.561 32.056 27.957 1.00 1.00 O ATOM 907 CB HIS A 60 16.311 32.751 30.575 1.00 1.00 C ATOM 908 CG HIS A 60 16.433 33.762 31.682 1.00 1.00 C ATOM 909 ND1 HIS A 60 17.150 33.507 32.841 1.00 1.00 N ATOM 910 CD2 HIS A 60 15.937 35.034 31.822 1.00 1.00 C ATOM 911 CE1 HIS A 60 17.066 34.600 33.619 1.00 1.00 C ATOM 912 NE2 HIS A 60 16.337 35.562 33.046 1.00 1.00 N ATOM 0 H HIS A 60 14.947 30.851 31.340 1.00 1.00 H new ATOM 0 HA HIS A 60 14.267 33.432 30.587 1.00 1.00 H new ATOM 0 HB2 HIS A 60 16.713 31.791 30.899 1.00 1.00 H new ATOM 0 HB3 HIS A 60 16.898 33.068 29.713 1.00 1.00 H new ATOM 0 HD2 HIS A 60 15.328 35.548 31.093 1.00 1.00 H new ATOM 0 HE1 HIS A 60 17.531 34.690 34.589 1.00 1.00 H new ATOM 0 HE2 HIS A 60 16.120 36.484 33.424 1.00 1.00 H new ATOM 920 N HIS A 61 13.653 33.232 28.165 1.00 1.00 N ATOM 921 CA HIS A 61 13.428 33.305 26.726 1.00 1.00 C ATOM 922 C HIS A 61 13.843 34.670 26.186 1.00 1.00 C ATOM 923 O HIS A 61 13.615 35.696 26.826 1.00 1.00 O ATOM 924 CB HIS A 61 11.950 33.060 26.416 1.00 1.00 C ATOM 925 CG HIS A 61 11.782 31.686 25.827 1.00 1.00 C ATOM 926 ND1 HIS A 61 11.927 31.440 24.471 1.00 1.00 N ATOM 927 CD2 HIS A 61 11.480 30.475 26.398 1.00 1.00 C ATOM 928 CE1 HIS A 61 11.715 30.126 24.272 1.00 1.00 C ATOM 929 NE2 HIS A 61 11.438 29.491 25.413 1.00 1.00 N ATOM 0 H HIS A 61 12.941 33.692 28.732 1.00 1.00 H new ATOM 0 HA HIS A 61 14.033 32.537 26.244 1.00 1.00 H new ATOM 0 HB2 HIS A 61 11.357 33.152 27.326 1.00 1.00 H new ATOM 0 HB3 HIS A 61 11.584 33.813 25.719 1.00 1.00 H new ATOM 0 HD2 HIS A 61 11.302 30.310 27.450 1.00 1.00 H new ATOM 0 HE1 HIS A 61 11.763 29.644 23.307 1.00 1.00 H new ATOM 0 HE2 HIS A 61 11.238 28.498 25.537 1.00 1.00 H new ATOM 937 N HIS A 62 14.454 34.674 25.007 1.00 1.00 N ATOM 938 CA HIS A 62 14.896 35.917 24.391 1.00 1.00 C ATOM 939 C HIS A 62 15.186 35.708 22.907 1.00 1.00 C ATOM 940 O HIS A 62 15.793 34.712 22.517 1.00 1.00 O ATOM 941 CB HIS A 62 16.157 36.427 25.091 1.00 1.00 C ATOM 942 CG HIS A 62 16.931 37.309 24.152 1.00 1.00 C ATOM 943 ND1 HIS A 62 16.480 38.565 23.778 1.00 1.00 N ATOM 944 CD2 HIS A 62 18.127 37.131 23.502 1.00 1.00 C ATOM 945 CE1 HIS A 62 17.391 39.090 22.938 1.00 1.00 C ATOM 946 NE2 HIS A 62 18.416 38.257 22.736 1.00 1.00 N ATOM 0 H HIS A 62 14.653 33.835 24.462 1.00 1.00 H new ATOM 0 HA HIS A 62 14.099 36.654 24.494 1.00 1.00 H new ATOM 0 HB2 HIS A 62 15.887 36.983 25.989 1.00 1.00 H new ATOM 0 HB3 HIS A 62 16.774 35.587 25.409 1.00 1.00 H new ATOM 0 HD2 HIS A 62 18.749 36.251 23.574 1.00 1.00 H new ATOM 0 HE1 HIS A 62 17.304 40.066 22.483 1.00 1.00 H new ATOM 0 HE2 HIS A 62 19.234 38.413 22.147 1.00 1.00 H new ATOM 954 N HIS A 63 14.745 36.656 22.086 1.00 1.00 N ATOM 955 CA HIS A 63 14.962 36.567 20.648 1.00 1.00 C ATOM 956 C HIS A 63 14.813 37.939 19.998 1.00 1.00 C ATOM 957 O HIS A 63 14.008 38.761 20.437 1.00 1.00 O ATOM 958 CB HIS A 63 13.956 35.595 20.030 1.00 1.00 C ATOM 959 CG HIS A 63 14.675 34.636 19.123 1.00 1.00 C ATOM 960 ND1 HIS A 63 14.314 34.461 17.797 1.00 1.00 N ATOM 961 CD2 HIS A 63 15.738 33.793 19.336 1.00 1.00 C ATOM 962 CE1 HIS A 63 15.146 33.544 17.267 1.00 1.00 C ATOM 963 NE2 HIS A 63 16.033 33.104 18.164 1.00 1.00 N ATOM 0 H HIS A 63 14.239 37.488 22.390 1.00 1.00 H new ATOM 0 HA HIS A 63 15.974 36.203 20.473 1.00 1.00 H new ATOM 0 HB2 HIS A 63 13.434 35.048 20.815 1.00 1.00 H new ATOM 0 HB3 HIS A 63 13.201 36.145 19.469 1.00 1.00 H new ATOM 0 HD2 HIS A 63 16.265 33.682 20.272 1.00 1.00 H new ATOM 0 HE1 HIS A 63 15.102 33.206 16.242 1.00 1.00 H new ATOM 0 HE2 HIS A 63 16.768 32.412 18.020 1.00 1.00 H new ATOM 971 N HIS A 64 15.595 38.180 18.951 1.00 1.00 N ATOM 972 CA HIS A 64 15.542 39.457 18.248 1.00 1.00 C ATOM 973 C HIS A 64 14.115 39.767 17.807 1.00 1.00 C ATOM 974 O HIS A 64 13.292 38.867 17.855 1.00 1.00 O ATOM 975 CB HIS A 64 16.459 39.419 17.025 1.00 1.00 C ATOM 976 CG HIS A 64 16.876 40.819 16.667 1.00 1.00 C ATOM 977 ND1 HIS A 64 16.121 41.927 17.018 1.00 1.00 N ATOM 978 CD2 HIS A 64 17.966 41.307 15.991 1.00 1.00 C ATOM 979 CE1 HIS A 64 16.761 43.017 16.556 1.00 1.00 C ATOM 980 NE2 HIS A 64 17.891 42.695 15.922 1.00 1.00 N ATOM 981 OXT HIS A 64 13.865 40.900 17.430 1.00 1.00 O ATOM 0 H HIS A 64 16.268 37.514 18.573 1.00 1.00 H new ATOM 0 HA HIS A 64 15.878 40.239 18.929 1.00 1.00 H new ATOM 0 HB2 HIS A 64 17.338 38.809 17.235 1.00 1.00 H new ATOM 0 HB3 HIS A 64 15.943 38.956 16.184 1.00 1.00 H new ATOM 0 HD1 HIS A 64 15.240 41.918 17.533 1.00 1.00 H new ATOM 0 HD2 HIS A 64 18.761 40.705 15.576 1.00 1.00 H new ATOM 0 HE1 HIS A 64 16.404 44.028 16.683 1.00 1.00 H new TER 989 HIS A 64