USER MOD reduce.3.24.130724 H: found=0, std=0, add=314, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 314 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 13 ASN : amide:sc= -3.31! K(o=-19!,f=-17) USER MOD Set 1.2: A 17 ASN : amide:sc= -15.8! C(o=-19!,f=-17!) USER MOD Set 1.3: A 26 LYS NZ :NH3+ -145:sc= -0.371! (180deg=-1.95!) USER MOD Single : A 1 THR N :NH3+ 136:sc= 0.581 (180deg=0.0204) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0.235 USER MOD Single : A 7 SER OG : rot 84:sc= 0.958 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 CYS SG : rot 86:sc= 0.00209 USER MOD Single : A 14 SER OG : rot 112:sc= 0.828 USER MOD Single : A 15 THR OG1 : rot -121:sc= 1.35 USER MOD Single : A 21 TYR OH : rot 180:sc= 0.145 USER MOD Single : A 25 SER OG : rot 161:sc= 0.393 USER MOD Single : A 30 HIS : no HD1:sc= -6.12! C(o=-6.1!,f=-7.2!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 MET CE :methyl 157:sc= -1.08 (180deg=-2.5!) USER MOD Single : A 38 SER OG : rot 60:sc= 1.64 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 19.959 9.443 -6.070 1.00 0.00 N ATOM 2 CA THR A 1 19.719 7.980 -6.095 1.00 0.00 C ATOM 3 C THR A 1 19.615 7.456 -4.656 1.00 0.00 C ATOM 4 O THR A 1 20.186 6.436 -4.306 1.00 0.00 O ATOM 5 CB THR A 1 20.885 7.313 -6.838 1.00 0.00 C ATOM 6 OG1 THR A 1 21.598 8.305 -7.569 1.00 0.00 O ATOM 7 CG2 THR A 1 20.347 6.260 -7.813 1.00 0.00 C ATOM 0 H1 THR A 1 20.698 9.685 -6.761 1.00 0.00 H new ATOM 0 H2 THR A 1 19.080 9.943 -6.313 1.00 0.00 H new ATOM 0 H3 THR A 1 20.268 9.728 -5.119 1.00 0.00 H new ATOM 0 HA THR A 1 18.786 7.750 -6.609 1.00 0.00 H new ATOM 0 HB THR A 1 21.546 6.832 -6.117 1.00 0.00 H new ATOM 0 HG1 THR A 1 22.346 7.887 -8.045 1.00 0.00 H new ATOM 0 HG21 THR A 1 21.179 5.790 -8.337 1.00 0.00 H new ATOM 0 HG22 THR A 1 19.792 5.502 -7.260 1.00 0.00 H new ATOM 0 HG23 THR A 1 19.686 6.738 -8.536 1.00 0.00 H new ATOM 17 N VAL A 2 18.874 8.140 -3.818 1.00 0.00 N ATOM 18 CA VAL A 2 18.717 7.684 -2.406 1.00 0.00 C ATOM 19 C VAL A 2 18.323 6.204 -2.378 1.00 0.00 C ATOM 20 O VAL A 2 18.830 5.435 -1.588 1.00 0.00 O ATOM 21 CB VAL A 2 17.636 8.519 -1.706 1.00 0.00 C ATOM 22 CG1 VAL A 2 18.133 9.957 -1.540 1.00 0.00 C ATOM 23 CG2 VAL A 2 16.347 8.522 -2.540 1.00 0.00 C ATOM 0 H VAL A 2 18.371 8.996 -4.054 1.00 0.00 H new ATOM 0 HA VAL A 2 19.665 7.813 -1.884 1.00 0.00 H new ATOM 0 HB VAL A 2 17.428 8.083 -0.729 1.00 0.00 H new ATOM 0 HG11 VAL A 2 17.367 10.552 -1.043 1.00 0.00 H new ATOM 0 HG12 VAL A 2 19.042 9.961 -0.938 1.00 0.00 H new ATOM 0 HG13 VAL A 2 18.345 10.384 -2.520 1.00 0.00 H new ATOM 0 HG21 VAL A 2 15.587 9.117 -2.034 1.00 0.00 H new ATOM 0 HG22 VAL A 2 16.550 8.951 -3.521 1.00 0.00 H new ATOM 0 HG23 VAL A 2 15.988 7.500 -2.658 1.00 0.00 H new ATOM 33 N PHE A 3 17.420 5.801 -3.232 1.00 0.00 N ATOM 34 CA PHE A 3 16.993 4.371 -3.247 1.00 0.00 C ATOM 35 C PHE A 3 18.196 3.485 -3.562 1.00 0.00 C ATOM 36 O PHE A 3 18.471 2.522 -2.867 1.00 0.00 O ATOM 37 CB PHE A 3 15.898 4.161 -4.298 1.00 0.00 C ATOM 38 CG PHE A 3 16.386 4.582 -5.665 1.00 0.00 C ATOM 39 CD1 PHE A 3 16.295 5.921 -6.063 1.00 0.00 C ATOM 40 CD2 PHE A 3 16.924 3.628 -6.538 1.00 0.00 C ATOM 41 CE1 PHE A 3 16.741 6.304 -7.332 1.00 0.00 C ATOM 42 CE2 PHE A 3 17.368 4.012 -7.806 1.00 0.00 C ATOM 43 CZ PHE A 3 17.278 5.350 -8.203 1.00 0.00 C ATOM 0 H PHE A 3 16.960 6.399 -3.919 1.00 0.00 H new ATOM 0 HA PHE A 3 16.594 4.104 -2.268 1.00 0.00 H new ATOM 0 HB2 PHE A 3 15.602 3.112 -4.318 1.00 0.00 H new ATOM 0 HB3 PHE A 3 15.012 4.737 -4.029 1.00 0.00 H new ATOM 0 HD1 PHE A 3 15.881 6.658 -5.391 1.00 0.00 H new ATOM 0 HD2 PHE A 3 16.996 2.595 -6.231 1.00 0.00 H new ATOM 0 HE1 PHE A 3 16.671 7.337 -7.640 1.00 0.00 H new ATOM 0 HE2 PHE A 3 17.781 3.276 -8.480 1.00 0.00 H new ATOM 0 HZ PHE A 3 17.623 5.647 -9.182 1.00 0.00 H new ATOM 53 N ALA A 4 18.956 3.832 -4.562 1.00 0.00 N ATOM 54 CA ALA A 4 20.183 3.044 -4.859 1.00 0.00 C ATOM 55 C ALA A 4 21.088 3.093 -3.632 1.00 0.00 C ATOM 56 O ALA A 4 21.629 2.093 -3.209 1.00 0.00 O ATOM 57 CB ALA A 4 20.914 3.645 -6.061 1.00 0.00 C ATOM 0 H ALA A 4 18.782 4.622 -5.183 1.00 0.00 H new ATOM 0 HA ALA A 4 19.917 2.014 -5.095 1.00 0.00 H new ATOM 0 HB1 ALA A 4 21.811 3.062 -6.271 1.00 0.00 H new ATOM 0 HB2 ALA A 4 20.258 3.628 -6.931 1.00 0.00 H new ATOM 0 HB3 ALA A 4 21.195 4.674 -5.839 1.00 0.00 H new ATOM 63 N PHE A 5 21.188 4.241 -3.015 1.00 0.00 N ATOM 64 CA PHE A 5 21.983 4.357 -1.759 1.00 0.00 C ATOM 65 C PHE A 5 21.456 3.349 -0.744 1.00 0.00 C ATOM 66 O PHE A 5 22.171 2.481 -0.298 1.00 0.00 O ATOM 67 CB PHE A 5 21.839 5.774 -1.194 1.00 0.00 C ATOM 68 CG PHE A 5 23.143 6.522 -1.343 1.00 0.00 C ATOM 69 CD1 PHE A 5 23.669 6.762 -2.619 1.00 0.00 C ATOM 70 CD2 PHE A 5 23.824 6.979 -0.207 1.00 0.00 C ATOM 71 CE1 PHE A 5 24.876 7.457 -2.759 1.00 0.00 C ATOM 72 CE2 PHE A 5 25.030 7.675 -0.349 1.00 0.00 C ATOM 73 CZ PHE A 5 25.555 7.914 -1.624 1.00 0.00 C ATOM 0 H PHE A 5 20.751 5.107 -3.329 1.00 0.00 H new ATOM 0 HA PHE A 5 23.034 4.156 -1.967 1.00 0.00 H new ATOM 0 HB2 PHE A 5 21.044 6.304 -1.717 1.00 0.00 H new ATOM 0 HB3 PHE A 5 21.554 5.729 -0.143 1.00 0.00 H new ATOM 0 HD1 PHE A 5 23.143 6.411 -3.495 1.00 0.00 H new ATOM 0 HD2 PHE A 5 23.419 6.794 0.777 1.00 0.00 H new ATOM 0 HE1 PHE A 5 25.283 7.640 -3.742 1.00 0.00 H new ATOM 0 HE2 PHE A 5 25.556 8.028 0.526 1.00 0.00 H new ATOM 0 HZ PHE A 5 26.485 8.452 -1.732 1.00 0.00 H new ATOM 83 N ALA A 6 20.201 3.441 -0.399 1.00 0.00 N ATOM 84 CA ALA A 6 19.619 2.465 0.567 1.00 0.00 C ATOM 85 C ALA A 6 19.908 1.044 0.080 1.00 0.00 C ATOM 86 O ALA A 6 20.145 0.146 0.862 1.00 0.00 O ATOM 87 CB ALA A 6 18.105 2.676 0.659 1.00 0.00 C ATOM 0 H ALA A 6 19.553 4.149 -0.744 1.00 0.00 H new ATOM 0 HA ALA A 6 20.064 2.614 1.551 1.00 0.00 H new ATOM 0 HB1 ALA A 6 17.680 1.962 1.365 1.00 0.00 H new ATOM 0 HB2 ALA A 6 17.899 3.690 1.000 1.00 0.00 H new ATOM 0 HB3 ALA A 6 17.656 2.526 -0.323 1.00 0.00 H new ATOM 93 N SER A 7 19.907 0.841 -1.206 1.00 0.00 N ATOM 94 CA SER A 7 20.197 -0.513 -1.750 1.00 0.00 C ATOM 95 C SER A 7 21.660 -0.876 -1.479 1.00 0.00 C ATOM 96 O SER A 7 21.957 -1.836 -0.791 1.00 0.00 O ATOM 97 CB SER A 7 19.945 -0.512 -3.256 1.00 0.00 C ATOM 98 OG SER A 7 18.711 0.149 -3.533 1.00 0.00 O ATOM 0 H SER A 7 19.717 1.557 -1.907 1.00 0.00 H new ATOM 0 HA SER A 7 19.550 -1.245 -1.268 1.00 0.00 H new ATOM 0 HB2 SER A 7 20.763 -0.009 -3.772 1.00 0.00 H new ATOM 0 HB3 SER A 7 19.914 -1.535 -3.631 1.00 0.00 H new ATOM 0 HG SER A 7 18.859 1.117 -3.567 1.00 0.00 H new ATOM 104 N MET A 8 22.574 -0.124 -2.027 1.00 0.00 N ATOM 105 CA MET A 8 24.015 -0.428 -1.822 1.00 0.00 C ATOM 106 C MET A 8 24.314 -0.409 -0.332 1.00 0.00 C ATOM 107 O MET A 8 25.124 -1.164 0.159 1.00 0.00 O ATOM 108 CB MET A 8 24.871 0.628 -2.522 1.00 0.00 C ATOM 109 CG MET A 8 25.511 0.011 -3.766 1.00 0.00 C ATOM 110 SD MET A 8 26.028 1.325 -4.900 1.00 0.00 S ATOM 111 CE MET A 8 27.612 1.711 -4.113 1.00 0.00 C ATOM 0 H MET A 8 22.382 0.691 -2.610 1.00 0.00 H new ATOM 0 HA MET A 8 24.245 -1.409 -2.238 1.00 0.00 H new ATOM 0 HB2 MET A 8 24.257 1.485 -2.801 1.00 0.00 H new ATOM 0 HB3 MET A 8 25.643 0.995 -1.845 1.00 0.00 H new ATOM 0 HG2 MET A 8 26.370 -0.597 -3.482 1.00 0.00 H new ATOM 0 HG3 MET A 8 24.802 -0.652 -4.261 1.00 0.00 H new ATOM 0 HE1 MET A 8 28.106 2.511 -4.664 1.00 0.00 H new ATOM 0 HE2 MET A 8 27.439 2.030 -3.085 1.00 0.00 H new ATOM 0 HE3 MET A 8 28.245 0.824 -4.116 1.00 0.00 H new ATOM 121 N LEU A 9 23.629 0.419 0.391 1.00 0.00 N ATOM 122 CA LEU A 9 23.821 0.455 1.858 1.00 0.00 C ATOM 123 C LEU A 9 23.324 -0.869 2.436 1.00 0.00 C ATOM 124 O LEU A 9 24.071 -1.618 3.032 1.00 0.00 O ATOM 125 CB LEU A 9 23.018 1.621 2.441 1.00 0.00 C ATOM 126 CG LEU A 9 23.923 2.854 2.572 1.00 0.00 C ATOM 127 CD1 LEU A 9 23.076 4.128 2.519 1.00 0.00 C ATOM 128 CD2 LEU A 9 24.680 2.805 3.904 1.00 0.00 C ATOM 0 H LEU A 9 22.940 1.077 0.027 1.00 0.00 H new ATOM 0 HA LEU A 9 24.873 0.594 2.107 1.00 0.00 H new ATOM 0 HB2 LEU A 9 22.168 1.848 1.798 1.00 0.00 H new ATOM 0 HB3 LEU A 9 22.616 1.347 3.416 1.00 0.00 H new ATOM 0 HG LEU A 9 24.637 2.857 1.748 1.00 0.00 H new ATOM 0 HD11 LEU A 9 23.724 5.000 2.612 1.00 0.00 H new ATOM 0 HD12 LEU A 9 22.544 4.172 1.569 1.00 0.00 H new ATOM 0 HD13 LEU A 9 22.357 4.121 3.338 1.00 0.00 H new ATOM 0 HD21 LEU A 9 25.321 3.683 3.991 1.00 0.00 H new ATOM 0 HD22 LEU A 9 23.966 2.793 4.728 1.00 0.00 H new ATOM 0 HD23 LEU A 9 25.292 1.904 3.942 1.00 0.00 H new ATOM 140 N CYS A 10 22.086 -1.198 2.201 1.00 0.00 N ATOM 141 CA CYS A 10 21.560 -2.509 2.672 1.00 0.00 C ATOM 142 C CYS A 10 22.491 -3.624 2.196 1.00 0.00 C ATOM 143 O CYS A 10 22.657 -4.636 2.850 1.00 0.00 O ATOM 144 CB CYS A 10 20.164 -2.739 2.089 1.00 0.00 C ATOM 145 SG CYS A 10 18.940 -1.865 3.094 1.00 0.00 S ATOM 0 H CYS A 10 21.414 -0.615 1.702 1.00 0.00 H new ATOM 0 HA CYS A 10 21.506 -2.510 3.761 1.00 0.00 H new ATOM 0 HB2 CYS A 10 20.125 -2.384 1.059 1.00 0.00 H new ATOM 0 HB3 CYS A 10 19.938 -3.805 2.067 1.00 0.00 H new ATOM 0 HG CYS A 10 18.838 -0.636 2.682 1.00 0.00 H new ATOM 151 N LEU A 11 23.050 -3.475 1.034 1.00 0.00 N ATOM 152 CA LEU A 11 23.914 -4.551 0.482 1.00 0.00 C ATOM 153 C LEU A 11 25.310 -4.477 1.117 1.00 0.00 C ATOM 154 O LEU A 11 25.747 -5.391 1.785 1.00 0.00 O ATOM 155 CB LEU A 11 24.019 -4.374 -1.037 1.00 0.00 C ATOM 156 CG LEU A 11 23.971 -5.743 -1.723 1.00 0.00 C ATOM 157 CD1 LEU A 11 22.550 -6.308 -1.648 1.00 0.00 C ATOM 158 CD2 LEU A 11 24.384 -5.595 -3.191 1.00 0.00 C ATOM 0 H LEU A 11 22.947 -2.653 0.439 1.00 0.00 H new ATOM 0 HA LEU A 11 23.479 -5.525 0.708 1.00 0.00 H new ATOM 0 HB2 LEU A 11 23.203 -3.748 -1.397 1.00 0.00 H new ATOM 0 HB3 LEU A 11 24.948 -3.863 -1.290 1.00 0.00 H new ATOM 0 HG LEU A 11 24.657 -6.423 -1.218 1.00 0.00 H new ATOM 0 HD11 LEU A 11 22.519 -7.282 -2.137 1.00 0.00 H new ATOM 0 HD12 LEU A 11 22.256 -6.417 -0.604 1.00 0.00 H new ATOM 0 HD13 LEU A 11 21.861 -5.628 -2.150 1.00 0.00 H new ATOM 0 HD21 LEU A 11 24.350 -6.569 -3.679 1.00 0.00 H new ATOM 0 HD22 LEU A 11 23.699 -4.913 -3.695 1.00 0.00 H new ATOM 0 HD23 LEU A 11 25.397 -5.197 -3.246 1.00 0.00 H new ATOM 170 N LEU A 12 26.043 -3.438 0.837 1.00 0.00 N ATOM 171 CA LEU A 12 27.450 -3.344 1.327 1.00 0.00 C ATOM 172 C LEU A 12 27.486 -3.159 2.846 1.00 0.00 C ATOM 173 O LEU A 12 28.503 -3.396 3.475 1.00 0.00 O ATOM 174 CB LEU A 12 28.134 -2.142 0.670 1.00 0.00 C ATOM 175 CG LEU A 12 28.777 -2.569 -0.654 1.00 0.00 C ATOM 176 CD1 LEU A 12 28.933 -1.350 -1.566 1.00 0.00 C ATOM 177 CD2 LEU A 12 30.157 -3.176 -0.385 1.00 0.00 C ATOM 0 H LEU A 12 25.727 -2.641 0.285 1.00 0.00 H new ATOM 0 HA LEU A 12 27.968 -4.268 1.069 1.00 0.00 H new ATOM 0 HB2 LEU A 12 27.406 -1.350 0.492 1.00 0.00 H new ATOM 0 HB3 LEU A 12 28.892 -1.734 1.338 1.00 0.00 H new ATOM 0 HG LEU A 12 28.140 -3.310 -1.138 1.00 0.00 H new ATOM 0 HD11 LEU A 12 29.390 -1.656 -2.507 1.00 0.00 H new ATOM 0 HD12 LEU A 12 27.953 -0.915 -1.763 1.00 0.00 H new ATOM 0 HD13 LEU A 12 29.567 -0.609 -1.078 1.00 0.00 H new ATOM 0 HD21 LEU A 12 30.612 -3.479 -1.328 1.00 0.00 H new ATOM 0 HD22 LEU A 12 30.791 -2.436 0.102 1.00 0.00 H new ATOM 0 HD23 LEU A 12 30.052 -4.046 0.263 1.00 0.00 H new ATOM 189 N ASN A 13 26.442 -2.634 3.427 1.00 0.00 N ATOM 190 CA ASN A 13 26.493 -2.324 4.888 1.00 0.00 C ATOM 191 C ASN A 13 26.110 -3.546 5.697 1.00 0.00 C ATOM 192 O ASN A 13 26.820 -3.962 6.583 1.00 0.00 O ATOM 193 CB ASN A 13 25.514 -1.207 5.243 1.00 0.00 C ATOM 194 CG ASN A 13 26.034 -0.459 6.469 1.00 0.00 C ATOM 195 OD1 ASN A 13 25.322 -0.284 7.435 1.00 0.00 O ATOM 196 ND2 ASN A 13 27.256 -0.010 6.476 1.00 0.00 N ATOM 0 H ASN A 13 25.563 -2.407 2.961 1.00 0.00 H new ATOM 0 HA ASN A 13 27.512 -2.014 5.120 1.00 0.00 H new ATOM 0 HB2 ASN A 13 25.404 -0.522 4.403 1.00 0.00 H new ATOM 0 HB3 ASN A 13 24.527 -1.622 5.446 1.00 0.00 H new ATOM 0 HD21 ASN A 13 27.612 0.487 7.292 1.00 0.00 H new ATOM 0 HD22 ASN A 13 27.857 -0.156 5.665 1.00 0.00 H new ATOM 203 N SER A 14 24.939 -4.047 5.483 1.00 0.00 N ATOM 204 CA SER A 14 24.442 -5.150 6.336 1.00 0.00 C ATOM 205 C SER A 14 25.254 -6.411 6.048 1.00 0.00 C ATOM 206 O SER A 14 25.059 -7.453 6.653 1.00 0.00 O ATOM 207 CB SER A 14 22.961 -5.358 6.040 1.00 0.00 C ATOM 208 OG SER A 14 22.523 -4.335 5.150 1.00 0.00 O ATOM 0 H SER A 14 24.299 -3.741 4.751 1.00 0.00 H new ATOM 0 HA SER A 14 24.557 -4.911 7.393 1.00 0.00 H new ATOM 0 HB2 SER A 14 22.799 -6.340 5.595 1.00 0.00 H new ATOM 0 HB3 SER A 14 22.383 -5.327 6.964 1.00 0.00 H new ATOM 0 HG SER A 14 22.303 -4.730 4.280 1.00 0.00 H new ATOM 214 N THR A 15 26.207 -6.306 5.170 1.00 0.00 N ATOM 215 CA THR A 15 27.088 -7.457 4.872 1.00 0.00 C ATOM 216 C THR A 15 28.459 -7.221 5.504 1.00 0.00 C ATOM 217 O THR A 15 28.730 -7.650 6.614 1.00 0.00 O ATOM 218 CB THR A 15 27.236 -7.565 3.359 1.00 0.00 C ATOM 219 OG1 THR A 15 27.636 -6.302 2.843 1.00 0.00 O ATOM 220 CG2 THR A 15 25.898 -7.967 2.745 1.00 0.00 C ATOM 0 H THR A 15 26.413 -5.459 4.641 1.00 0.00 H new ATOM 0 HA THR A 15 26.662 -8.376 5.275 1.00 0.00 H new ATOM 0 HB THR A 15 27.985 -8.318 3.113 1.00 0.00 H new ATOM 0 HG1 THR A 15 26.971 -5.988 2.195 1.00 0.00 H new ATOM 0 HG21 THR A 15 26.003 -8.044 1.663 1.00 0.00 H new ATOM 0 HG22 THR A 15 25.587 -8.930 3.149 1.00 0.00 H new ATOM 0 HG23 THR A 15 25.147 -7.214 2.984 1.00 0.00 H new ATOM 228 N VAL A 16 29.326 -6.558 4.793 1.00 0.00 N ATOM 229 CA VAL A 16 30.700 -6.306 5.311 1.00 0.00 C ATOM 230 C VAL A 16 30.841 -4.836 5.637 1.00 0.00 C ATOM 231 O VAL A 16 31.256 -4.038 4.815 1.00 0.00 O ATOM 232 CB VAL A 16 31.728 -6.694 4.243 1.00 0.00 C ATOM 233 CG1 VAL A 16 33.047 -7.097 4.908 1.00 0.00 C ATOM 234 CG2 VAL A 16 31.199 -7.871 3.418 1.00 0.00 C ATOM 0 H VAL A 16 29.140 -6.176 3.866 1.00 0.00 H new ATOM 0 HA VAL A 16 30.871 -6.901 6.208 1.00 0.00 H new ATOM 0 HB VAL A 16 31.898 -5.837 3.591 1.00 0.00 H new ATOM 0 HG11 VAL A 16 33.772 -7.371 4.142 1.00 0.00 H new ATOM 0 HG12 VAL A 16 33.432 -6.259 5.489 1.00 0.00 H new ATOM 0 HG13 VAL A 16 32.877 -7.948 5.568 1.00 0.00 H new ATOM 0 HG21 VAL A 16 31.933 -8.143 2.660 1.00 0.00 H new ATOM 0 HG22 VAL A 16 31.021 -8.724 4.073 1.00 0.00 H new ATOM 0 HG23 VAL A 16 30.266 -7.585 2.933 1.00 0.00 H new ATOM 244 N ASN A 17 30.473 -4.456 6.816 1.00 0.00 N ATOM 245 CA ASN A 17 30.565 -3.019 7.164 1.00 0.00 C ATOM 246 C ASN A 17 30.593 -2.809 8.671 1.00 0.00 C ATOM 247 O ASN A 17 31.415 -2.067 9.166 1.00 0.00 O ATOM 248 CB ASN A 17 29.379 -2.278 6.556 1.00 0.00 C ATOM 249 CG ASN A 17 29.886 -1.018 5.868 1.00 0.00 C ATOM 250 OD1 ASN A 17 29.309 -0.556 4.906 1.00 0.00 O ATOM 251 ND2 ASN A 17 30.968 -0.461 6.314 1.00 0.00 N ATOM 0 H ASN A 17 30.116 -5.068 7.550 1.00 0.00 H new ATOM 0 HA ASN A 17 31.498 -2.626 6.759 1.00 0.00 H new ATOM 0 HB2 ASN A 17 28.862 -2.917 5.840 1.00 0.00 H new ATOM 0 HB3 ASN A 17 28.658 -2.020 7.331 1.00 0.00 H new ATOM 0 HD21 ASN A 17 31.339 0.371 5.856 1.00 0.00 H new ATOM 0 HD22 ASN A 17 31.448 -0.855 7.123 1.00 0.00 H new ATOM 258 N PRO A 18 29.730 -3.454 9.403 1.00 0.00 N ATOM 259 CA PRO A 18 29.691 -3.313 10.885 1.00 0.00 C ATOM 260 C PRO A 18 30.982 -3.830 11.515 1.00 0.00 C ATOM 261 O PRO A 18 31.067 -4.048 12.708 1.00 0.00 O ATOM 262 CB PRO A 18 28.490 -4.163 11.325 1.00 0.00 C ATOM 263 CG PRO A 18 27.726 -4.476 10.079 1.00 0.00 C ATOM 264 CD PRO A 18 28.710 -4.385 8.920 1.00 0.00 C ATOM 0 HA PRO A 18 29.596 -2.273 11.197 1.00 0.00 H new ATOM 0 HB2 PRO A 18 28.819 -5.076 11.820 1.00 0.00 H new ATOM 0 HB3 PRO A 18 27.869 -3.621 12.037 1.00 0.00 H new ATOM 0 HG2 PRO A 18 27.287 -5.472 10.135 1.00 0.00 H new ATOM 0 HG3 PRO A 18 26.904 -3.773 9.943 1.00 0.00 H new ATOM 0 HD2 PRO A 18 29.138 -5.359 8.681 1.00 0.00 H new ATOM 0 HD3 PRO A 18 28.229 -4.017 8.014 1.00 0.00 H new ATOM 272 N ILE A 19 31.982 -4.037 10.708 1.00 0.00 N ATOM 273 CA ILE A 19 33.266 -4.546 11.231 1.00 0.00 C ATOM 274 C ILE A 19 34.239 -3.370 11.374 1.00 0.00 C ATOM 275 O ILE A 19 34.559 -2.943 12.467 1.00 0.00 O ATOM 276 CB ILE A 19 33.846 -5.588 10.263 1.00 0.00 C ATOM 277 CG1 ILE A 19 32.726 -6.473 9.699 1.00 0.00 C ATOM 278 CG2 ILE A 19 34.849 -6.473 11.000 1.00 0.00 C ATOM 279 CD1 ILE A 19 32.926 -6.641 8.194 1.00 0.00 C ATOM 0 H ILE A 19 31.960 -3.873 9.702 1.00 0.00 H new ATOM 0 HA ILE A 19 33.110 -5.018 12.201 1.00 0.00 H new ATOM 0 HB ILE A 19 34.340 -5.064 9.445 1.00 0.00 H new ATOM 0 HG12 ILE A 19 32.734 -7.446 10.190 1.00 0.00 H new ATOM 0 HG13 ILE A 19 31.754 -6.022 9.900 1.00 0.00 H new ATOM 0 HG21 ILE A 19 35.259 -7.211 10.310 1.00 0.00 H new ATOM 0 HG22 ILE A 19 35.657 -5.857 11.394 1.00 0.00 H new ATOM 0 HG23 ILE A 19 34.348 -6.984 11.822 1.00 0.00 H new ATOM 0 HD11 ILE A 19 32.132 -7.269 7.789 1.00 0.00 H new ATOM 0 HD12 ILE A 19 32.897 -5.664 7.712 1.00 0.00 H new ATOM 0 HD13 ILE A 19 33.892 -7.110 8.005 1.00 0.00 H new ATOM 291 N ILE A 20 34.700 -2.836 10.271 1.00 0.00 N ATOM 292 CA ILE A 20 35.641 -1.676 10.326 1.00 0.00 C ATOM 293 C ILE A 20 35.160 -0.591 9.361 1.00 0.00 C ATOM 294 O ILE A 20 35.266 0.592 9.628 1.00 0.00 O ATOM 295 CB ILE A 20 37.055 -2.120 9.911 1.00 0.00 C ATOM 296 CG1 ILE A 20 37.242 -3.621 10.161 1.00 0.00 C ATOM 297 CG2 ILE A 20 38.093 -1.352 10.725 1.00 0.00 C ATOM 298 CD1 ILE A 20 36.930 -4.392 8.881 1.00 0.00 C ATOM 0 H ILE A 20 34.464 -3.155 9.331 1.00 0.00 H new ATOM 0 HA ILE A 20 35.668 -1.290 11.345 1.00 0.00 H new ATOM 0 HB ILE A 20 37.183 -1.914 8.848 1.00 0.00 H new ATOM 0 HG12 ILE A 20 38.265 -3.823 10.480 1.00 0.00 H new ATOM 0 HG13 ILE A 20 36.586 -3.951 10.966 1.00 0.00 H new ATOM 0 HG21 ILE A 20 39.093 -1.668 10.430 1.00 0.00 H new ATOM 0 HG22 ILE A 20 37.981 -0.283 10.542 1.00 0.00 H new ATOM 0 HG23 ILE A 20 37.947 -1.556 11.786 1.00 0.00 H new ATOM 0 HD11 ILE A 20 37.063 -5.459 9.058 1.00 0.00 H new ATOM 0 HD12 ILE A 20 35.900 -4.199 8.582 1.00 0.00 H new ATOM 0 HD13 ILE A 20 37.605 -4.069 8.088 1.00 0.00 H new ATOM 310 N TYR A 21 34.686 -0.986 8.211 1.00 0.00 N ATOM 311 CA TYR A 21 34.265 0.011 7.192 1.00 0.00 C ATOM 312 C TYR A 21 32.995 0.720 7.661 1.00 0.00 C ATOM 313 O TYR A 21 32.523 1.631 7.015 1.00 0.00 O ATOM 314 CB TYR A 21 34.019 -0.693 5.855 1.00 0.00 C ATOM 315 CG TYR A 21 35.042 -1.792 5.671 1.00 0.00 C ATOM 316 CD1 TYR A 21 36.408 -1.498 5.772 1.00 0.00 C ATOM 317 CD2 TYR A 21 34.630 -3.102 5.395 1.00 0.00 C ATOM 318 CE1 TYR A 21 37.357 -2.511 5.603 1.00 0.00 C ATOM 319 CE2 TYR A 21 35.581 -4.113 5.222 1.00 0.00 C ATOM 320 CZ TYR A 21 36.945 -3.817 5.325 1.00 0.00 C ATOM 321 OH TYR A 21 37.882 -4.808 5.141 1.00 0.00 O ATOM 0 H TYR A 21 34.573 -1.961 7.934 1.00 0.00 H new ATOM 0 HA TYR A 21 35.053 0.752 7.060 1.00 0.00 H new ATOM 0 HB2 TYR A 21 33.012 -1.110 5.831 1.00 0.00 H new ATOM 0 HB3 TYR A 21 34.087 0.023 5.036 1.00 0.00 H new ATOM 0 HD1 TYR A 21 36.728 -0.488 5.981 1.00 0.00 H new ATOM 0 HD2 TYR A 21 33.578 -3.332 5.316 1.00 0.00 H new ATOM 0 HE1 TYR A 21 38.409 -2.284 5.687 1.00 0.00 H new ATOM 0 HE2 TYR A 21 35.263 -5.123 5.009 1.00 0.00 H new ATOM 0 HH TYR A 21 37.428 -5.657 4.957 1.00 0.00 H new ATOM 331 N ALA A 22 32.474 0.316 8.798 1.00 0.00 N ATOM 332 CA ALA A 22 31.255 0.957 9.390 1.00 0.00 C ATOM 333 C ALA A 22 30.330 1.491 8.298 1.00 0.00 C ATOM 334 O ALA A 22 29.420 0.818 7.858 1.00 0.00 O ATOM 335 CB ALA A 22 31.682 2.112 10.298 1.00 0.00 C ATOM 0 H ALA A 22 32.854 -0.451 9.353 1.00 0.00 H new ATOM 0 HA ALA A 22 30.714 0.205 9.964 1.00 0.00 H new ATOM 0 HB1 ALA A 22 30.798 2.581 10.730 1.00 0.00 H new ATOM 0 HB2 ALA A 22 32.318 1.731 11.097 1.00 0.00 H new ATOM 0 HB3 ALA A 22 32.234 2.848 9.714 1.00 0.00 H new ATOM 341 N LEU A 23 30.578 2.690 7.857 1.00 0.00 N ATOM 342 CA LEU A 23 29.746 3.298 6.782 1.00 0.00 C ATOM 343 C LEU A 23 30.617 4.270 5.992 1.00 0.00 C ATOM 344 O LEU A 23 30.665 4.234 4.779 1.00 0.00 O ATOM 345 CB LEU A 23 28.570 4.065 7.402 1.00 0.00 C ATOM 346 CG LEU A 23 27.513 3.073 7.903 1.00 0.00 C ATOM 347 CD1 LEU A 23 27.560 2.991 9.429 1.00 0.00 C ATOM 348 CD2 LEU A 23 26.119 3.537 7.467 1.00 0.00 C ATOM 0 H LEU A 23 31.333 3.284 8.200 1.00 0.00 H new ATOM 0 HA LEU A 23 29.356 2.516 6.130 1.00 0.00 H new ATOM 0 HB2 LEU A 23 28.922 4.684 8.227 1.00 0.00 H new ATOM 0 HB3 LEU A 23 28.132 4.737 6.664 1.00 0.00 H new ATOM 0 HG LEU A 23 27.721 2.091 7.479 1.00 0.00 H new ATOM 0 HD11 LEU A 23 26.807 2.285 9.779 1.00 0.00 H new ATOM 0 HD12 LEU A 23 28.547 2.655 9.745 1.00 0.00 H new ATOM 0 HD13 LEU A 23 27.359 3.975 9.853 1.00 0.00 H new ATOM 0 HD21 LEU A 23 25.371 2.829 7.825 1.00 0.00 H new ATOM 0 HD22 LEU A 23 25.916 4.522 7.886 1.00 0.00 H new ATOM 0 HD23 LEU A 23 26.077 3.590 6.379 1.00 0.00 H new ATOM 360 N ARG A 24 31.288 5.156 6.674 1.00 0.00 N ATOM 361 CA ARG A 24 32.134 6.160 5.966 1.00 0.00 C ATOM 362 C ARG A 24 33.462 5.524 5.558 1.00 0.00 C ATOM 363 O ARG A 24 33.977 5.774 4.484 1.00 0.00 O ATOM 364 CB ARG A 24 32.399 7.363 6.881 1.00 0.00 C ATOM 365 CG ARG A 24 32.578 6.904 8.335 1.00 0.00 C ATOM 366 CD ARG A 24 33.137 8.063 9.165 1.00 0.00 C ATOM 367 NE ARG A 24 34.602 8.189 8.921 1.00 0.00 N ATOM 368 CZ ARG A 24 35.453 7.470 9.605 1.00 0.00 C ATOM 369 NH1 ARG A 24 35.023 6.618 10.497 1.00 0.00 N ATOM 370 NH2 ARG A 24 36.732 7.608 9.392 1.00 0.00 N ATOM 0 H ARG A 24 31.288 5.229 7.691 1.00 0.00 H new ATOM 0 HA ARG A 24 31.607 6.499 5.074 1.00 0.00 H new ATOM 0 HB2 ARG A 24 33.292 7.891 6.548 1.00 0.00 H new ATOM 0 HB3 ARG A 24 31.569 8.067 6.815 1.00 0.00 H new ATOM 0 HG2 ARG A 24 31.623 6.575 8.745 1.00 0.00 H new ATOM 0 HG3 ARG A 24 33.255 6.051 8.379 1.00 0.00 H new ATOM 0 HD2 ARG A 24 32.632 8.992 8.899 1.00 0.00 H new ATOM 0 HD3 ARG A 24 32.948 7.890 10.224 1.00 0.00 H new ATOM 0 HE ARG A 24 34.943 8.841 8.215 1.00 0.00 H new ATOM 0 HH11 ARG A 24 34.022 6.513 10.661 1.00 0.00 H new ATOM 0 HH12 ARG A 24 35.689 6.058 11.030 1.00 0.00 H new ATOM 0 HH21 ARG A 24 37.064 8.274 8.695 1.00 0.00 H new ATOM 0 HH22 ARG A 24 37.401 7.050 9.923 1.00 0.00 H new ATOM 384 N SER A 25 34.028 4.709 6.404 1.00 0.00 N ATOM 385 CA SER A 25 35.328 4.072 6.061 1.00 0.00 C ATOM 386 C SER A 25 35.140 3.175 4.834 1.00 0.00 C ATOM 387 O SER A 25 36.080 2.877 4.126 1.00 0.00 O ATOM 388 CB SER A 25 35.824 3.240 7.247 1.00 0.00 C ATOM 389 OG SER A 25 34.737 2.970 8.131 1.00 0.00 O ATOM 0 H SER A 25 33.647 4.457 7.316 1.00 0.00 H new ATOM 0 HA SER A 25 36.067 4.842 5.837 1.00 0.00 H new ATOM 0 HB2 SER A 25 36.258 2.305 6.892 1.00 0.00 H new ATOM 0 HB3 SER A 25 36.612 3.776 7.776 1.00 0.00 H new ATOM 0 HG SER A 25 34.964 2.210 8.706 1.00 0.00 H new ATOM 395 N LYS A 26 33.923 2.787 4.545 1.00 0.00 N ATOM 396 CA LYS A 26 33.680 1.968 3.324 1.00 0.00 C ATOM 397 C LYS A 26 34.285 2.691 2.127 1.00 0.00 C ATOM 398 O LYS A 26 34.823 2.078 1.227 1.00 0.00 O ATOM 399 CB LYS A 26 32.173 1.780 3.103 1.00 0.00 C ATOM 400 CG LYS A 26 31.779 0.336 3.421 1.00 0.00 C ATOM 401 CD LYS A 26 32.393 -0.620 2.394 1.00 0.00 C ATOM 402 CE LYS A 26 32.416 -2.034 2.980 1.00 0.00 C ATOM 403 NZ LYS A 26 31.041 -2.610 2.959 1.00 0.00 N ATOM 0 H LYS A 26 33.094 3.001 5.099 1.00 0.00 H new ATOM 0 HA LYS A 26 34.139 0.987 3.444 1.00 0.00 H new ATOM 0 HB2 LYS A 26 31.614 2.467 3.738 1.00 0.00 H new ATOM 0 HB3 LYS A 26 31.915 2.018 2.071 1.00 0.00 H new ATOM 0 HG2 LYS A 26 32.118 0.071 4.423 1.00 0.00 H new ATOM 0 HG3 LYS A 26 30.693 0.238 3.416 1.00 0.00 H new ATOM 0 HD2 LYS A 26 31.813 -0.604 1.471 1.00 0.00 H new ATOM 0 HD3 LYS A 26 33.404 -0.301 2.140 1.00 0.00 H new ATOM 0 HE2 LYS A 26 33.094 -2.665 2.405 1.00 0.00 H new ATOM 0 HE3 LYS A 26 32.794 -2.008 4.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 30.903 -3.210 3.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 30.342 -1.840 2.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 30.917 -3.182 2.099 1.00 0.00 H new ATOM 417 N ASP A 27 34.244 3.993 2.146 1.00 0.00 N ATOM 418 CA ASP A 27 34.865 4.787 1.051 1.00 0.00 C ATOM 419 C ASP A 27 36.278 4.267 0.797 1.00 0.00 C ATOM 420 O ASP A 27 36.604 3.821 -0.284 1.00 0.00 O ATOM 421 CB ASP A 27 34.922 6.253 1.485 1.00 0.00 C ATOM 422 CG ASP A 27 35.795 7.063 0.527 1.00 0.00 C ATOM 423 OD1 ASP A 27 35.806 6.753 -0.649 1.00 0.00 O ATOM 424 OD2 ASP A 27 36.429 7.995 0.991 1.00 0.00 O ATOM 0 H ASP A 27 33.803 4.546 2.880 1.00 0.00 H new ATOM 0 HA ASP A 27 34.280 4.697 0.136 1.00 0.00 H new ATOM 0 HB2 ASP A 27 33.915 6.670 1.509 1.00 0.00 H new ATOM 0 HB3 ASP A 27 35.321 6.323 2.497 1.00 0.00 H new ATOM 429 N LEU A 28 37.108 4.297 1.798 1.00 0.00 N ATOM 430 CA LEU A 28 38.502 3.793 1.636 1.00 0.00 C ATOM 431 C LEU A 28 38.481 2.299 1.302 1.00 0.00 C ATOM 432 O LEU A 28 39.499 1.714 1.008 1.00 0.00 O ATOM 433 CB LEU A 28 39.281 4.007 2.942 1.00 0.00 C ATOM 434 CG LEU A 28 39.801 5.453 3.023 1.00 0.00 C ATOM 435 CD1 LEU A 28 40.779 5.722 1.872 1.00 0.00 C ATOM 436 CD2 LEU A 28 38.627 6.437 2.930 1.00 0.00 C ATOM 0 H LEU A 28 36.882 4.650 2.728 1.00 0.00 H new ATOM 0 HA LEU A 28 38.985 4.338 0.825 1.00 0.00 H new ATOM 0 HB2 LEU A 28 38.637 3.796 3.796 1.00 0.00 H new ATOM 0 HB3 LEU A 28 40.117 3.309 2.993 1.00 0.00 H new ATOM 0 HG LEU A 28 40.314 5.589 3.975 1.00 0.00 H new ATOM 0 HD11 LEU A 28 41.143 6.747 1.936 1.00 0.00 H new ATOM 0 HD12 LEU A 28 41.621 5.033 1.941 1.00 0.00 H new ATOM 0 HD13 LEU A 28 40.269 5.577 0.920 1.00 0.00 H new ATOM 0 HD21 LEU A 28 39.003 7.458 2.988 1.00 0.00 H new ATOM 0 HD22 LEU A 28 38.107 6.295 1.982 1.00 0.00 H new ATOM 0 HD23 LEU A 28 37.936 6.257 3.753 1.00 0.00 H new ATOM 448 N ARG A 29 37.345 1.667 1.382 1.00 0.00 N ATOM 449 CA ARG A 29 37.292 0.204 1.112 1.00 0.00 C ATOM 450 C ARG A 29 36.901 -0.042 -0.341 1.00 0.00 C ATOM 451 O ARG A 29 37.691 -0.530 -1.123 1.00 0.00 O ATOM 452 CB ARG A 29 36.263 -0.450 2.034 1.00 0.00 C ATOM 453 CG ARG A 29 36.163 -1.950 1.724 1.00 0.00 C ATOM 454 CD ARG A 29 37.278 -2.701 2.452 1.00 0.00 C ATOM 455 NE ARG A 29 38.365 -3.061 1.498 1.00 0.00 N ATOM 456 CZ ARG A 29 39.357 -3.826 1.895 1.00 0.00 C ATOM 457 NH1 ARG A 29 39.381 -4.283 3.120 1.00 0.00 N ATOM 458 NH2 ARG A 29 40.313 -4.139 1.063 1.00 0.00 N ATOM 0 H ARG A 29 36.453 2.099 1.622 1.00 0.00 H new ATOM 0 HA ARG A 29 38.275 -0.229 1.297 1.00 0.00 H new ATOM 0 HB2 ARG A 29 36.550 -0.303 3.075 1.00 0.00 H new ATOM 0 HB3 ARG A 29 35.290 0.023 1.901 1.00 0.00 H new ATOM 0 HG2 ARG A 29 35.191 -2.332 2.035 1.00 0.00 H new ATOM 0 HG3 ARG A 29 36.241 -2.115 0.649 1.00 0.00 H new ATOM 0 HD2 ARG A 29 37.679 -2.082 3.255 1.00 0.00 H new ATOM 0 HD3 ARG A 29 36.877 -3.603 2.915 1.00 0.00 H new ATOM 0 HE ARG A 29 38.339 -2.714 0.539 1.00 0.00 H new ATOM 0 HH11 ARG A 29 38.630 -4.046 3.768 1.00 0.00 H new ATOM 0 HH12 ARG A 29 40.151 -4.877 3.428 1.00 0.00 H new ATOM 0 HH21 ARG A 29 40.290 -3.790 0.105 1.00 0.00 H new ATOM 0 HH22 ARG A 29 41.083 -4.733 1.371 1.00 0.00 H new ATOM 472 N HIS A 30 35.677 0.237 -0.704 1.00 0.00 N ATOM 473 CA HIS A 30 35.249 -0.052 -2.100 1.00 0.00 C ATOM 474 C HIS A 30 36.023 0.854 -3.045 1.00 0.00 C ATOM 475 O HIS A 30 36.534 0.411 -4.047 1.00 0.00 O ATOM 476 CB HIS A 30 33.743 0.174 -2.280 1.00 0.00 C ATOM 477 CG HIS A 30 33.359 1.546 -1.797 1.00 0.00 C ATOM 478 ND1 HIS A 30 33.458 2.667 -2.608 1.00 0.00 N ATOM 479 CD2 HIS A 30 32.871 1.993 -0.594 1.00 0.00 C ATOM 480 CE1 HIS A 30 33.036 3.723 -1.892 1.00 0.00 C ATOM 481 NE2 HIS A 30 32.667 3.367 -0.660 1.00 0.00 N ATOM 0 H HIS A 30 34.964 0.648 -0.101 1.00 0.00 H new ATOM 0 HA HIS A 30 35.456 -1.099 -2.322 1.00 0.00 H new ATOM 0 HB2 HIS A 30 33.475 0.063 -3.331 1.00 0.00 H new ATOM 0 HB3 HIS A 30 33.186 -0.583 -1.727 1.00 0.00 H new ATOM 0 HD2 HIS A 30 32.676 1.374 0.269 1.00 0.00 H new ATOM 0 HE1 HIS A 30 33.000 4.735 -2.267 1.00 0.00 H new ATOM 0 HE2 HIS A 30 32.311 3.975 0.078 1.00 0.00 H new ATOM 490 N ALA A 31 36.196 2.096 -2.692 1.00 0.00 N ATOM 491 CA ALA A 31 37.036 2.979 -3.543 1.00 0.00 C ATOM 492 C ALA A 31 38.422 2.352 -3.654 1.00 0.00 C ATOM 493 O ALA A 31 38.927 2.120 -4.725 1.00 0.00 O ATOM 494 CB ALA A 31 37.146 4.368 -2.911 1.00 0.00 C ATOM 0 H ALA A 31 35.797 2.533 -1.861 1.00 0.00 H new ATOM 0 HA ALA A 31 36.587 3.084 -4.530 1.00 0.00 H new ATOM 0 HB1 ALA A 31 37.763 5.007 -3.542 1.00 0.00 H new ATOM 0 HB2 ALA A 31 36.152 4.804 -2.816 1.00 0.00 H new ATOM 0 HB3 ALA A 31 37.601 4.284 -1.924 1.00 0.00 H new ATOM 500 N PHE A 32 39.018 2.022 -2.549 1.00 0.00 N ATOM 501 CA PHE A 32 40.347 1.353 -2.596 1.00 0.00 C ATOM 502 C PHE A 32 40.261 0.106 -3.475 1.00 0.00 C ATOM 503 O PHE A 32 41.112 -0.143 -4.306 1.00 0.00 O ATOM 504 CB PHE A 32 40.736 0.964 -1.177 1.00 0.00 C ATOM 505 CG PHE A 32 41.998 0.132 -1.161 1.00 0.00 C ATOM 506 CD1 PHE A 32 43.245 0.740 -1.349 1.00 0.00 C ATOM 507 CD2 PHE A 32 41.920 -1.247 -0.943 1.00 0.00 C ATOM 508 CE1 PHE A 32 44.412 -0.032 -1.321 1.00 0.00 C ATOM 509 CE2 PHE A 32 43.087 -2.020 -0.914 1.00 0.00 C ATOM 510 CZ PHE A 32 44.333 -1.413 -1.105 1.00 0.00 C ATOM 0 H PHE A 32 38.645 2.185 -1.614 1.00 0.00 H new ATOM 0 HA PHE A 32 41.096 2.025 -3.016 1.00 0.00 H new ATOM 0 HB2 PHE A 32 40.883 1.863 -0.579 1.00 0.00 H new ATOM 0 HB3 PHE A 32 39.923 0.404 -0.716 1.00 0.00 H new ATOM 0 HD1 PHE A 32 43.306 1.805 -1.516 1.00 0.00 H new ATOM 0 HD2 PHE A 32 40.958 -1.716 -0.797 1.00 0.00 H new ATOM 0 HE1 PHE A 32 45.374 0.438 -1.466 1.00 0.00 H new ATOM 0 HE2 PHE A 32 43.025 -3.085 -0.744 1.00 0.00 H new ATOM 0 HZ PHE A 32 45.233 -2.009 -1.086 1.00 0.00 H new ATOM 520 N ARG A 33 39.257 -0.693 -3.273 1.00 0.00 N ATOM 521 CA ARG A 33 39.120 -1.950 -4.062 1.00 0.00 C ATOM 522 C ARG A 33 38.700 -1.645 -5.494 1.00 0.00 C ATOM 523 O ARG A 33 38.779 -2.492 -6.363 1.00 0.00 O ATOM 524 CB ARG A 33 38.045 -2.815 -3.414 1.00 0.00 C ATOM 525 CG ARG A 33 38.605 -3.457 -2.147 1.00 0.00 C ATOM 526 CD ARG A 33 38.851 -4.951 -2.389 1.00 0.00 C ATOM 527 NE ARG A 33 39.660 -5.131 -3.634 1.00 0.00 N ATOM 528 CZ ARG A 33 39.118 -5.604 -4.731 1.00 0.00 C ATOM 529 NH1 ARG A 33 37.838 -5.877 -4.778 1.00 0.00 N ATOM 530 NH2 ARG A 33 39.864 -5.787 -5.788 1.00 0.00 N ATOM 0 H ARG A 33 38.517 -0.531 -2.590 1.00 0.00 H new ATOM 0 HA ARG A 33 40.081 -2.465 -4.077 1.00 0.00 H new ATOM 0 HB2 ARG A 33 37.172 -2.209 -3.172 1.00 0.00 H new ATOM 0 HB3 ARG A 33 37.715 -3.586 -4.110 1.00 0.00 H new ATOM 0 HG2 ARG A 33 39.536 -2.967 -1.861 1.00 0.00 H new ATOM 0 HG3 ARG A 33 37.907 -3.323 -1.321 1.00 0.00 H new ATOM 0 HD2 ARG A 33 39.374 -5.386 -1.537 1.00 0.00 H new ATOM 0 HD3 ARG A 33 37.900 -5.476 -2.482 1.00 0.00 H new ATOM 0 HE ARG A 33 40.649 -4.882 -3.630 1.00 0.00 H new ATOM 0 HH11 ARG A 33 37.253 -5.722 -3.957 1.00 0.00 H new ATOM 0 HH12 ARG A 33 37.426 -6.244 -5.636 1.00 0.00 H new ATOM 0 HH21 ARG A 33 40.858 -5.563 -5.755 1.00 0.00 H new ATOM 0 HH22 ARG A 33 39.452 -6.154 -6.646 1.00 0.00 H new ATOM 544 N SER A 34 38.109 -0.515 -5.708 1.00 0.00 N ATOM 545 CA SER A 34 37.507 -0.231 -7.034 1.00 0.00 C ATOM 546 C SER A 34 38.183 0.992 -7.663 1.00 0.00 C ATOM 547 O SER A 34 37.811 1.439 -8.730 1.00 0.00 O ATOM 548 CB SER A 34 36.018 0.036 -6.825 1.00 0.00 C ATOM 549 OG SER A 34 35.277 -0.476 -7.930 1.00 0.00 O ATOM 0 H SER A 34 38.014 0.232 -5.020 1.00 0.00 H new ATOM 0 HA SER A 34 37.646 -1.078 -7.706 1.00 0.00 H new ATOM 0 HB2 SER A 34 35.681 -0.433 -5.901 1.00 0.00 H new ATOM 0 HB3 SER A 34 35.842 1.107 -6.722 1.00 0.00 H new ATOM 0 HG SER A 34 34.322 -0.304 -7.791 1.00 0.00 H new ATOM 555 N MET A 35 39.156 1.551 -6.997 1.00 0.00 N ATOM 556 CA MET A 35 39.846 2.761 -7.527 1.00 0.00 C ATOM 557 C MET A 35 41.333 2.657 -7.214 1.00 0.00 C ATOM 558 O MET A 35 42.162 2.610 -8.105 1.00 0.00 O ATOM 559 CB MET A 35 39.284 4.020 -6.850 1.00 0.00 C ATOM 560 CG MET A 35 37.875 4.307 -7.375 1.00 0.00 C ATOM 561 SD MET A 35 37.990 5.256 -8.914 1.00 0.00 S ATOM 562 CE MET A 35 37.458 3.948 -10.051 1.00 0.00 C ATOM 0 H MET A 35 39.506 1.217 -6.099 1.00 0.00 H new ATOM 0 HA MET A 35 39.688 2.826 -8.603 1.00 0.00 H new ATOM 0 HB2 MET A 35 39.258 3.882 -5.769 1.00 0.00 H new ATOM 0 HB3 MET A 35 39.936 4.871 -7.047 1.00 0.00 H new ATOM 0 HG2 MET A 35 37.342 3.372 -7.550 1.00 0.00 H new ATOM 0 HG3 MET A 35 37.305 4.865 -6.632 1.00 0.00 H new ATOM 0 HE1 MET A 35 37.068 4.397 -10.965 1.00 0.00 H new ATOM 0 HE2 MET A 35 38.307 3.309 -10.294 1.00 0.00 H new ATOM 0 HE3 MET A 35 36.678 3.351 -9.579 1.00 0.00 H new ATOM 572 N PHE A 36 41.680 2.658 -5.953 1.00 0.00 N ATOM 573 CA PHE A 36 43.120 2.605 -5.577 1.00 0.00 C ATOM 574 C PHE A 36 43.791 1.443 -6.308 1.00 0.00 C ATOM 575 O PHE A 36 43.404 0.300 -6.156 1.00 0.00 O ATOM 576 CB PHE A 36 43.263 2.403 -4.070 1.00 0.00 C ATOM 577 CG PHE A 36 44.604 2.919 -3.617 1.00 0.00 C ATOM 578 CD1 PHE A 36 44.740 4.253 -3.221 1.00 0.00 C ATOM 579 CD2 PHE A 36 45.710 2.066 -3.592 1.00 0.00 C ATOM 580 CE1 PHE A 36 45.982 4.735 -2.800 1.00 0.00 C ATOM 581 CE2 PHE A 36 46.952 2.548 -3.170 1.00 0.00 C ATOM 582 CZ PHE A 36 47.089 3.882 -2.774 1.00 0.00 C ATOM 0 H PHE A 36 41.028 2.693 -5.170 1.00 0.00 H new ATOM 0 HA PHE A 36 43.596 3.545 -5.858 1.00 0.00 H new ATOM 0 HB2 PHE A 36 42.464 2.927 -3.545 1.00 0.00 H new ATOM 0 HB3 PHE A 36 43.167 1.346 -3.824 1.00 0.00 H new ATOM 0 HD1 PHE A 36 43.884 4.911 -3.241 1.00 0.00 H new ATOM 0 HD2 PHE A 36 45.605 1.036 -3.898 1.00 0.00 H new ATOM 0 HE1 PHE A 36 46.087 5.766 -2.495 1.00 0.00 H new ATOM 0 HE2 PHE A 36 47.807 1.889 -3.150 1.00 0.00 H new ATOM 0 HZ PHE A 36 48.050 4.253 -2.448 1.00 0.00 H new ATOM 592 N PRO A 37 44.792 1.728 -7.093 1.00 0.00 N ATOM 593 CA PRO A 37 45.538 0.694 -7.859 1.00 0.00 C ATOM 594 C PRO A 37 46.599 0.030 -7.001 1.00 0.00 C ATOM 595 O PRO A 37 46.885 -1.143 -7.140 1.00 0.00 O ATOM 596 CB PRO A 37 46.209 1.511 -8.947 1.00 0.00 C ATOM 597 CG PRO A 37 46.544 2.782 -8.254 1.00 0.00 C ATOM 598 CD PRO A 37 45.347 3.074 -7.346 1.00 0.00 C ATOM 0 HA PRO A 37 44.895 -0.106 -8.224 1.00 0.00 H new ATOM 0 HB2 PRO A 37 47.100 1.015 -9.333 1.00 0.00 H new ATOM 0 HB3 PRO A 37 45.544 1.677 -9.795 1.00 0.00 H new ATOM 0 HG2 PRO A 37 47.462 2.684 -7.675 1.00 0.00 H new ATOM 0 HG3 PRO A 37 46.702 3.590 -8.968 1.00 0.00 H new ATOM 0 HD2 PRO A 37 45.651 3.566 -6.422 1.00 0.00 H new ATOM 0 HD3 PRO A 37 44.621 3.726 -7.831 1.00 0.00 H new ATOM 606 N SER A 38 47.226 0.795 -6.143 1.00 0.00 N ATOM 607 CA SER A 38 48.311 0.227 -5.312 1.00 0.00 C ATOM 608 C SER A 38 49.380 -0.328 -6.259 1.00 0.00 C ATOM 609 O SER A 38 49.827 -1.452 -6.132 1.00 0.00 O ATOM 610 CB SER A 38 47.707 -0.882 -4.452 1.00 0.00 C ATOM 611 OG SER A 38 47.497 -0.408 -3.122 1.00 0.00 O ATOM 0 H SER A 38 47.029 1.784 -5.988 1.00 0.00 H new ATOM 0 HA SER A 38 48.767 0.972 -4.660 1.00 0.00 H new ATOM 0 HB2 SER A 38 46.762 -1.213 -4.882 1.00 0.00 H new ATOM 0 HB3 SER A 38 48.372 -1.746 -4.438 1.00 0.00 H new ATOM 0 HG SER A 38 46.881 0.354 -3.140 1.00 0.00 H new