USER MOD reduce.3.24.130724 H: found=0, std=0, add=507, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 505 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 CYS SG : rot 180:sc= 0 USER MOD Single : A 10 CYS SG : rot -45:sc= -0.571 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN :FLIP amide:sc= -0.0238 F(o=-0.77,f=-0.024) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.00672 USER MOD Single : A 35 THR OG1 : rot -64:sc= 0.463 USER MOD Single : A 36 ASN : amide:sc= -0.307 K(o=-0.31,f=-2!) USER MOD Single : A 37 GLN : amide:sc= -2.53! C(o=-2.5!,f=-3.4!) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=-0.038) USER MOD Single : A 43 TYR OH : rot 165:sc= 0 USER MOD Single : A 46 MET CE :methyl -168:sc= -0.0584 (180deg=-0.446) USER MOD Single : A 48 HIS : no HD1:sc= -0.0632 X(o=-0.063,f=0) USER MOD Single : A 50 HIS : no HD1:sc= -0.303 X(o=-0.3,f=-0.0047) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= 0.181 K(o=0.18,f=-2!) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 HIS : no HE2:sc= -1.33 K(o=-1.3,f=-2.3!) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 39:sc= 1.02 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.539 -11.003 2.668 1.00 0.00 N ATOM 2 CA GLY A 1 11.598 -9.929 2.930 1.00 0.00 C ATOM 3 C GLY A 1 11.421 -9.663 4.412 1.00 0.00 C ATOM 4 O GLY A 1 10.562 -10.263 5.059 1.00 0.00 O ATOM 0 H1 GLY A 1 12.625 -11.146 1.642 1.00 0.00 H new ATOM 0 H2 GLY A 1 13.469 -10.754 3.062 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.198 -11.879 3.112 1.00 0.00 H new ATOM 0 HA2 GLY A 1 11.944 -9.019 2.439 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.633 -10.181 2.491 1.00 0.00 H new ATOM 8 N SER A 2 12.236 -8.763 4.952 1.00 0.00 N ATOM 9 CA SER A 2 12.169 -8.423 6.369 1.00 0.00 C ATOM 10 C SER A 2 10.834 -7.766 6.707 1.00 0.00 C ATOM 11 O SER A 2 10.268 -7.032 5.896 1.00 0.00 O ATOM 12 CB SER A 2 13.320 -7.489 6.746 1.00 0.00 C ATOM 13 OG SER A 2 14.553 -8.188 6.782 1.00 0.00 O ATOM 0 H SER A 2 12.951 -8.256 4.430 1.00 0.00 H new ATOM 0 HA SER A 2 12.256 -9.345 6.943 1.00 0.00 H new ATOM 0 HB2 SER A 2 13.382 -6.673 6.026 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.124 -7.040 7.720 1.00 0.00 H new ATOM 0 HG SER A 2 15.273 -7.569 7.024 1.00 0.00 H new ATOM 19 N SER A 3 10.337 -8.035 7.910 1.00 0.00 N ATOM 20 CA SER A 3 9.067 -7.473 8.355 1.00 0.00 C ATOM 21 C SER A 3 9.233 -6.741 9.684 1.00 0.00 C ATOM 22 O SER A 3 8.994 -7.306 10.750 1.00 0.00 O ATOM 23 CB SER A 3 8.018 -8.578 8.496 1.00 0.00 C ATOM 24 OG SER A 3 7.691 -9.134 7.234 1.00 0.00 O ATOM 0 H SER A 3 10.794 -8.638 8.594 1.00 0.00 H new ATOM 0 HA SER A 3 8.732 -6.757 7.605 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.395 -9.360 9.155 1.00 0.00 H new ATOM 0 HB3 SER A 3 7.120 -8.174 8.963 1.00 0.00 H new ATOM 0 HG SER A 3 7.020 -9.839 7.351 1.00 0.00 H new ATOM 30 N GLY A 4 9.645 -5.479 9.610 1.00 0.00 N ATOM 31 CA GLY A 4 9.836 -4.690 10.812 1.00 0.00 C ATOM 32 C GLY A 4 10.809 -3.546 10.606 1.00 0.00 C ATOM 33 O GLY A 4 11.643 -3.268 11.468 1.00 0.00 O ATOM 0 H GLY A 4 9.850 -4.989 8.739 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.875 -4.292 11.138 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.202 -5.334 11.612 1.00 0.00 H new ATOM 37 N SER A 5 10.705 -2.881 9.459 1.00 0.00 N ATOM 38 CA SER A 5 11.587 -1.765 9.140 1.00 0.00 C ATOM 39 C SER A 5 11.023 -0.455 9.682 1.00 0.00 C ATOM 40 O SER A 5 9.825 -0.343 9.942 1.00 0.00 O ATOM 41 CB SER A 5 11.785 -1.660 7.627 1.00 0.00 C ATOM 42 OG SER A 5 12.786 -0.709 7.308 1.00 0.00 O ATOM 0 H SER A 5 10.019 -3.096 8.736 1.00 0.00 H new ATOM 0 HA SER A 5 12.551 -1.949 9.614 1.00 0.00 H new ATOM 0 HB2 SER A 5 12.063 -2.634 7.225 1.00 0.00 H new ATOM 0 HB3 SER A 5 10.845 -1.376 7.153 1.00 0.00 H new ATOM 0 HG SER A 5 12.895 -0.662 6.335 1.00 0.00 H new ATOM 48 N SER A 6 11.895 0.533 9.850 1.00 0.00 N ATOM 49 CA SER A 6 11.486 1.835 10.365 1.00 0.00 C ATOM 50 C SER A 6 10.876 2.689 9.258 1.00 0.00 C ATOM 51 O SER A 6 11.582 3.196 8.388 1.00 0.00 O ATOM 52 CB SER A 6 12.683 2.561 10.984 1.00 0.00 C ATOM 53 OG SER A 6 12.257 3.566 11.888 1.00 0.00 O ATOM 0 H SER A 6 12.890 0.457 9.637 1.00 0.00 H new ATOM 0 HA SER A 6 10.731 1.674 11.134 1.00 0.00 H new ATOM 0 HB2 SER A 6 13.318 1.844 11.505 1.00 0.00 H new ATOM 0 HB3 SER A 6 13.288 3.009 10.196 1.00 0.00 H new ATOM 0 HG SER A 6 13.040 4.014 12.271 1.00 0.00 H new ATOM 59 N GLY A 7 9.556 2.845 9.299 1.00 0.00 N ATOM 60 CA GLY A 7 8.870 3.637 8.295 1.00 0.00 C ATOM 61 C GLY A 7 7.407 3.265 8.162 1.00 0.00 C ATOM 62 O GLY A 7 6.928 2.312 8.777 1.00 0.00 O ATOM 0 H GLY A 7 8.949 2.437 10.010 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.951 4.693 8.552 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.364 3.505 7.332 1.00 0.00 H new ATOM 66 N PRO A 8 6.670 4.031 7.343 1.00 0.00 N ATOM 67 CA PRO A 8 5.241 3.796 7.114 1.00 0.00 C ATOM 68 C PRO A 8 4.984 2.523 6.315 1.00 0.00 C ATOM 69 O PRO A 8 5.497 2.359 5.207 1.00 0.00 O ATOM 70 CB PRO A 8 4.804 5.026 6.314 1.00 0.00 C ATOM 71 CG PRO A 8 6.045 5.499 5.638 1.00 0.00 C ATOM 72 CD PRO A 8 7.175 5.183 6.579 1.00 0.00 C ATOM 0 HA PRO A 8 4.695 3.661 8.048 1.00 0.00 H new ATOM 0 HB2 PRO A 8 4.030 4.772 5.589 1.00 0.00 H new ATOM 0 HB3 PRO A 8 4.390 5.796 6.966 1.00 0.00 H new ATOM 0 HG2 PRO A 8 6.183 4.998 4.680 1.00 0.00 H new ATOM 0 HG3 PRO A 8 5.995 6.568 5.434 1.00 0.00 H new ATOM 0 HD2 PRO A 8 8.090 4.938 6.040 1.00 0.00 H new ATOM 0 HD3 PRO A 8 7.404 6.027 7.229 1.00 0.00 H new ATOM 80 N CYS A 9 4.187 1.625 6.883 1.00 0.00 N ATOM 81 CA CYS A 9 3.862 0.365 6.224 1.00 0.00 C ATOM 82 C CYS A 9 2.384 0.028 6.393 1.00 0.00 C ATOM 83 O CYS A 9 1.750 0.442 7.364 1.00 0.00 O ATOM 84 CB CYS A 9 4.723 -0.766 6.787 1.00 0.00 C ATOM 85 SG CYS A 9 4.493 -1.059 8.556 1.00 0.00 S ATOM 0 H CYS A 9 3.754 1.746 7.799 1.00 0.00 H new ATOM 0 HA CYS A 9 4.071 0.476 5.160 1.00 0.00 H new ATOM 0 HB2 CYS A 9 4.497 -1.684 6.245 1.00 0.00 H new ATOM 0 HB3 CYS A 9 5.772 -0.536 6.601 1.00 0.00 H new ATOM 0 HG CYS A 9 5.262 -2.035 8.938 1.00 0.00 H new ATOM 91 N CYS A 10 1.842 -0.723 5.441 1.00 0.00 N ATOM 92 CA CYS A 10 0.437 -1.114 5.484 1.00 0.00 C ATOM 93 C CYS A 10 0.293 -2.632 5.450 1.00 0.00 C ATOM 94 O CYS A 10 1.154 -3.335 4.921 1.00 0.00 O ATOM 95 CB CYS A 10 -0.323 -0.491 4.311 1.00 0.00 C ATOM 96 SG CYS A 10 0.185 -1.112 2.690 1.00 0.00 S ATOM 0 H CYS A 10 2.353 -1.073 4.631 1.00 0.00 H new ATOM 0 HA CYS A 10 0.012 -0.748 6.419 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -1.389 -0.678 4.442 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -0.183 0.590 4.334 1.00 0.00 H new ATOM 0 HG CYS A 10 1.483 -1.159 2.630 1.00 0.00 H new ATOM 102 N ARG A 11 -0.799 -3.130 6.020 1.00 0.00 N ATOM 103 CA ARG A 11 -1.054 -4.565 6.057 1.00 0.00 C ATOM 104 C ARG A 11 -2.263 -4.925 5.199 1.00 0.00 C ATOM 105 O ARG A 11 -3.288 -4.246 5.236 1.00 0.00 O ATOM 106 CB ARG A 11 -1.282 -5.026 7.498 1.00 0.00 C ATOM 107 CG ARG A 11 -1.087 -6.521 7.697 1.00 0.00 C ATOM 108 CD ARG A 11 -1.890 -7.035 8.881 1.00 0.00 C ATOM 109 NE ARG A 11 -1.390 -8.318 9.367 1.00 0.00 N ATOM 110 CZ ARG A 11 -2.091 -9.131 10.149 1.00 0.00 C ATOM 111 NH1 ARG A 11 -3.315 -8.796 10.532 1.00 0.00 N ATOM 112 NH2 ARG A 11 -1.567 -10.283 10.549 1.00 0.00 N ATOM 0 H ARG A 11 -1.521 -2.561 6.462 1.00 0.00 H new ATOM 0 HA ARG A 11 -0.179 -5.075 5.653 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -0.598 -4.488 8.155 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -2.294 -4.756 7.801 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -1.388 -7.052 6.794 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -0.029 -6.733 7.854 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -1.854 -6.303 9.688 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -2.936 -7.140 8.592 1.00 0.00 H new ATOM 0 HE ARG A 11 -0.451 -8.606 9.091 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -3.721 -7.912 10.226 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -3.851 -9.423 11.133 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -0.626 -10.544 10.256 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -2.106 -10.907 11.150 1.00 0.00 H new ATOM 126 N ALA A 12 -2.135 -5.999 4.426 1.00 0.00 N ATOM 127 CA ALA A 12 -3.217 -6.450 3.560 1.00 0.00 C ATOM 128 C ALA A 12 -4.237 -7.274 4.339 1.00 0.00 C ATOM 129 O ALA A 12 -3.875 -8.070 5.206 1.00 0.00 O ATOM 130 CB ALA A 12 -2.660 -7.259 2.398 1.00 0.00 C ATOM 0 H ALA A 12 -1.293 -6.573 4.382 1.00 0.00 H new ATOM 0 HA ALA A 12 -3.725 -5.570 3.166 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -3.479 -7.590 1.759 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.975 -6.640 1.819 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -2.126 -8.128 2.783 1.00 0.00 H new ATOM 136 N LEU A 13 -5.512 -7.076 4.026 1.00 0.00 N ATOM 137 CA LEU A 13 -6.586 -7.800 4.697 1.00 0.00 C ATOM 138 C LEU A 13 -7.101 -8.942 3.826 1.00 0.00 C ATOM 139 O LEU A 13 -7.666 -9.913 4.329 1.00 0.00 O ATOM 140 CB LEU A 13 -7.733 -6.848 5.041 1.00 0.00 C ATOM 141 CG LEU A 13 -7.387 -5.691 5.978 1.00 0.00 C ATOM 142 CD1 LEU A 13 -8.438 -4.596 5.885 1.00 0.00 C ATOM 143 CD2 LEU A 13 -7.256 -6.186 7.411 1.00 0.00 C ATOM 0 H LEU A 13 -5.828 -6.420 3.312 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.185 -8.223 5.618 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.124 -6.432 4.112 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.537 -7.428 5.494 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.429 -5.274 5.670 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -8.175 -3.781 6.559 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -8.483 -4.221 4.863 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -9.410 -5.000 6.167 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -7.009 -5.349 8.064 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -8.199 -6.630 7.730 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.466 -6.935 7.467 1.00 0.00 H new ATOM 155 N TYR A 14 -6.899 -8.819 2.519 1.00 0.00 N ATOM 156 CA TYR A 14 -7.343 -9.840 1.578 1.00 0.00 C ATOM 157 C TYR A 14 -6.347 -9.996 0.433 1.00 0.00 C ATOM 158 O TYR A 14 -5.314 -9.327 0.399 1.00 0.00 O ATOM 159 CB TYR A 14 -8.724 -9.486 1.023 1.00 0.00 C ATOM 160 CG TYR A 14 -9.835 -9.609 2.041 1.00 0.00 C ATOM 161 CD1 TYR A 14 -9.917 -8.734 3.117 1.00 0.00 C ATOM 162 CD2 TYR A 14 -10.803 -10.599 1.927 1.00 0.00 C ATOM 163 CE1 TYR A 14 -10.930 -8.842 4.050 1.00 0.00 C ATOM 164 CE2 TYR A 14 -11.820 -10.714 2.854 1.00 0.00 C ATOM 165 CZ TYR A 14 -11.880 -9.834 3.914 1.00 0.00 C ATOM 166 OH TYR A 14 -12.891 -9.946 4.841 1.00 0.00 O ATOM 0 H TYR A 14 -6.431 -8.022 2.087 1.00 0.00 H new ATOM 0 HA TYR A 14 -7.406 -10.788 2.113 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -8.703 -8.465 0.642 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -8.944 -10.137 0.177 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -9.176 -7.956 3.226 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -10.759 -11.291 1.099 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -10.978 -8.154 4.881 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -12.565 -11.489 2.749 1.00 0.00 H new ATOM 0 HH TYR A 14 -13.476 -10.694 4.599 1.00 0.00 H new ATOM 176 N ASP A 15 -6.666 -10.883 -0.503 1.00 0.00 N ATOM 177 CA ASP A 15 -5.801 -11.126 -1.652 1.00 0.00 C ATOM 178 C ASP A 15 -6.314 -10.388 -2.884 1.00 0.00 C ATOM 179 O ASP A 15 -7.521 -10.285 -3.101 1.00 0.00 O ATOM 180 CB ASP A 15 -5.711 -12.626 -1.940 1.00 0.00 C ATOM 181 CG ASP A 15 -6.900 -13.136 -2.730 1.00 0.00 C ATOM 182 OD1 ASP A 15 -8.026 -12.651 -2.487 1.00 0.00 O ATOM 183 OD2 ASP A 15 -6.706 -14.019 -3.591 1.00 0.00 O ATOM 0 H ASP A 15 -7.517 -11.446 -0.489 1.00 0.00 H new ATOM 0 HA ASP A 15 -4.806 -10.749 -1.414 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -4.795 -12.832 -2.494 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -5.644 -13.170 -0.998 1.00 0.00 H new ATOM 188 N PHE A 16 -5.388 -9.876 -3.689 1.00 0.00 N ATOM 189 CA PHE A 16 -5.747 -9.146 -4.899 1.00 0.00 C ATOM 190 C PHE A 16 -4.761 -9.443 -6.026 1.00 0.00 C ATOM 191 O PHE A 16 -3.549 -9.325 -5.850 1.00 0.00 O ATOM 192 CB PHE A 16 -5.782 -7.642 -4.621 1.00 0.00 C ATOM 193 CG PHE A 16 -5.959 -6.808 -5.857 1.00 0.00 C ATOM 194 CD1 PHE A 16 -7.152 -6.835 -6.562 1.00 0.00 C ATOM 195 CD2 PHE A 16 -4.934 -5.995 -6.314 1.00 0.00 C ATOM 196 CE1 PHE A 16 -7.317 -6.069 -7.701 1.00 0.00 C ATOM 197 CE2 PHE A 16 -5.094 -5.227 -7.451 1.00 0.00 C ATOM 198 CZ PHE A 16 -6.287 -5.263 -8.145 1.00 0.00 C ATOM 0 H PHE A 16 -4.384 -9.953 -3.525 1.00 0.00 H new ATOM 0 HA PHE A 16 -6.738 -9.474 -5.211 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -6.596 -7.428 -3.928 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -4.856 -7.351 -4.125 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -7.962 -7.461 -6.218 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -3.999 -5.961 -5.775 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -8.251 -6.101 -8.243 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -4.286 -4.599 -7.797 1.00 0.00 H new ATOM 0 HZ PHE A 16 -6.415 -4.662 -9.033 1.00 0.00 H new ATOM 208 N GLU A 17 -5.292 -9.830 -7.182 1.00 0.00 N ATOM 209 CA GLU A 17 -4.459 -10.145 -8.336 1.00 0.00 C ATOM 210 C GLU A 17 -4.564 -9.054 -9.397 1.00 0.00 C ATOM 211 O GLU A 17 -5.649 -8.568 -9.719 1.00 0.00 O ATOM 212 CB GLU A 17 -4.866 -11.494 -8.934 1.00 0.00 C ATOM 213 CG GLU A 17 -3.851 -12.057 -9.914 1.00 0.00 C ATOM 214 CD GLU A 17 -3.741 -11.228 -11.180 1.00 0.00 C ATOM 215 OE1 GLU A 17 -4.790 -10.786 -11.693 1.00 0.00 O ATOM 216 OE2 GLU A 17 -2.605 -11.022 -11.656 1.00 0.00 O ATOM 0 H GLU A 17 -6.294 -9.933 -7.344 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.424 -10.202 -8.000 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.014 -12.210 -8.126 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -5.825 -11.383 -9.441 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.875 -12.108 -9.431 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -4.131 -13.077 -10.175 1.00 0.00 H new ATOM 223 N PRO A 18 -3.410 -8.658 -9.955 1.00 0.00 N ATOM 224 CA PRO A 18 -3.345 -7.620 -10.988 1.00 0.00 C ATOM 225 C PRO A 18 -3.941 -8.084 -12.314 1.00 0.00 C ATOM 226 O PRO A 18 -3.478 -9.059 -12.904 1.00 0.00 O ATOM 227 CB PRO A 18 -1.844 -7.362 -11.137 1.00 0.00 C ATOM 228 CG PRO A 18 -1.196 -8.629 -10.697 1.00 0.00 C ATOM 229 CD PRO A 18 -2.080 -9.194 -9.620 1.00 0.00 C ATOM 0 HA PRO A 18 -3.918 -6.734 -10.713 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -1.584 -7.122 -12.168 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -1.524 -6.520 -10.523 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -1.099 -9.327 -11.529 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -0.191 -8.442 -10.319 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -2.073 -10.284 -9.625 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -1.757 -8.878 -8.628 1.00 0.00 H new ATOM 237 N GLU A 19 -4.968 -7.377 -12.775 1.00 0.00 N ATOM 238 CA GLU A 19 -5.625 -7.718 -14.031 1.00 0.00 C ATOM 239 C GLU A 19 -4.904 -7.078 -15.214 1.00 0.00 C ATOM 240 O GLU A 19 -4.732 -7.701 -16.261 1.00 0.00 O ATOM 241 CB GLU A 19 -7.087 -7.266 -14.007 1.00 0.00 C ATOM 242 CG GLU A 19 -7.912 -7.810 -15.160 1.00 0.00 C ATOM 243 CD GLU A 19 -7.729 -7.011 -16.436 1.00 0.00 C ATOM 244 OE1 GLU A 19 -8.021 -5.797 -16.422 1.00 0.00 O ATOM 245 OE2 GLU A 19 -7.296 -7.600 -17.449 1.00 0.00 O ATOM 0 H GLU A 19 -5.362 -6.566 -12.298 1.00 0.00 H new ATOM 0 HA GLU A 19 -5.588 -8.801 -14.147 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -7.540 -7.581 -13.067 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -7.122 -6.177 -14.029 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -7.634 -8.848 -15.343 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -8.966 -7.806 -14.881 1.00 0.00 H new ATOM 252 N ASN A 20 -4.484 -5.829 -15.038 1.00 0.00 N ATOM 253 CA ASN A 20 -3.782 -5.103 -16.091 1.00 0.00 C ATOM 254 C ASN A 20 -2.375 -4.721 -15.643 1.00 0.00 C ATOM 255 O ASN A 20 -2.139 -4.457 -14.464 1.00 0.00 O ATOM 256 CB ASN A 20 -4.563 -3.847 -16.482 1.00 0.00 C ATOM 257 CG ASN A 20 -5.224 -3.183 -15.289 1.00 0.00 C ATOM 258 OD1 ASN A 20 -4.508 -2.265 -14.651 1.00 0.00 O flip ATOM 259 ND2 ASN A 20 -6.365 -3.492 -14.946 1.00 0.00 N flip ATOM 0 H ASN A 20 -4.617 -5.299 -14.177 1.00 0.00 H new ATOM 0 HA ASN A 20 -3.703 -5.758 -16.959 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -3.889 -3.138 -16.962 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -5.324 -4.110 -17.216 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -6.879 -4.203 -15.466 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -6.797 -3.037 -14.142 1.00 0.00 H new ATOM 266 N GLU A 21 -1.444 -4.694 -16.592 1.00 0.00 N ATOM 267 CA GLU A 21 -0.060 -4.344 -16.293 1.00 0.00 C ATOM 268 C GLU A 21 0.009 -3.110 -15.398 1.00 0.00 C ATOM 269 O GLU A 21 -0.845 -2.228 -15.472 1.00 0.00 O ATOM 270 CB GLU A 21 0.716 -4.093 -17.588 1.00 0.00 C ATOM 271 CG GLU A 21 2.223 -4.199 -17.425 1.00 0.00 C ATOM 272 CD GLU A 21 2.652 -5.519 -16.815 1.00 0.00 C ATOM 273 OE1 GLU A 21 1.920 -6.516 -16.982 1.00 0.00 O ATOM 274 OE2 GLU A 21 3.722 -5.555 -16.171 1.00 0.00 O ATOM 0 H GLU A 21 -1.623 -4.910 -17.573 1.00 0.00 H new ATOM 0 HA GLU A 21 0.393 -5.181 -15.762 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.389 -4.809 -18.342 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.469 -3.100 -17.963 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.699 -4.081 -18.398 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.575 -3.381 -16.797 1.00 0.00 H new ATOM 281 N GLY A 22 1.033 -3.057 -14.552 1.00 0.00 N ATOM 282 CA GLY A 22 1.194 -1.928 -13.654 1.00 0.00 C ATOM 283 C GLY A 22 0.653 -2.209 -12.266 1.00 0.00 C ATOM 284 O GLY A 22 1.316 -1.932 -11.267 1.00 0.00 O ATOM 0 H GLY A 22 1.753 -3.775 -14.472 1.00 0.00 H new ATOM 0 HA2 GLY A 22 2.251 -1.672 -13.583 1.00 0.00 H new ATOM 0 HA3 GLY A 22 0.683 -1.060 -14.071 1.00 0.00 H new ATOM 288 N GLU A 23 -0.555 -2.760 -12.204 1.00 0.00 N ATOM 289 CA GLU A 23 -1.185 -3.076 -10.927 1.00 0.00 C ATOM 290 C GLU A 23 -0.291 -3.984 -10.089 1.00 0.00 C ATOM 291 O GLU A 23 0.268 -4.960 -10.592 1.00 0.00 O ATOM 292 CB GLU A 23 -2.542 -3.746 -11.155 1.00 0.00 C ATOM 293 CG GLU A 23 -3.590 -2.816 -11.741 1.00 0.00 C ATOM 294 CD GLU A 23 -4.151 -1.850 -10.716 1.00 0.00 C ATOM 295 OE1 GLU A 23 -4.672 -2.317 -9.681 1.00 0.00 O ATOM 296 OE2 GLU A 23 -4.068 -0.625 -10.948 1.00 0.00 O ATOM 0 H GLU A 23 -1.117 -2.997 -13.022 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.335 -2.143 -10.384 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.410 -4.597 -11.823 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.907 -4.139 -10.206 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.151 -2.252 -12.564 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -4.403 -3.409 -12.159 1.00 0.00 H new ATOM 303 N LEU A 24 -0.159 -3.656 -8.808 1.00 0.00 N ATOM 304 CA LEU A 24 0.668 -4.441 -7.899 1.00 0.00 C ATOM 305 C LEU A 24 -0.193 -5.345 -7.023 1.00 0.00 C ATOM 306 O LEU A 24 -0.979 -4.869 -6.205 1.00 0.00 O ATOM 307 CB LEU A 24 1.514 -3.517 -7.021 1.00 0.00 C ATOM 308 CG LEU A 24 2.344 -4.199 -5.933 1.00 0.00 C ATOM 309 CD1 LEU A 24 3.659 -4.707 -6.505 1.00 0.00 C ATOM 310 CD2 LEU A 24 2.597 -3.243 -4.777 1.00 0.00 C ATOM 0 H LEU A 24 -0.614 -2.852 -8.376 1.00 0.00 H new ATOM 0 HA LEU A 24 1.328 -5.068 -8.498 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.189 -2.954 -7.666 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.851 -2.794 -6.545 1.00 0.00 H new ATOM 0 HG LEU A 24 1.782 -5.053 -5.555 1.00 0.00 H new ATOM 0 HD11 LEU A 24 4.237 -5.189 -5.716 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.457 -5.426 -7.299 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.227 -3.870 -6.910 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.189 -3.746 -4.012 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.139 -2.369 -5.139 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.645 -2.928 -4.350 1.00 0.00 H new ATOM 322 N GLY A 25 -0.038 -6.654 -7.199 1.00 0.00 N ATOM 323 CA GLY A 25 -0.806 -7.604 -6.416 1.00 0.00 C ATOM 324 C GLY A 25 -0.253 -7.784 -5.016 1.00 0.00 C ATOM 325 O GLY A 25 0.953 -7.669 -4.798 1.00 0.00 O ATOM 0 H GLY A 25 0.606 -7.073 -7.870 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.841 -7.266 -6.354 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.815 -8.567 -6.926 1.00 0.00 H new ATOM 329 N PHE A 26 -1.137 -8.064 -4.064 1.00 0.00 N ATOM 330 CA PHE A 26 -0.731 -8.257 -2.677 1.00 0.00 C ATOM 331 C PHE A 26 -1.355 -9.524 -2.099 1.00 0.00 C ATOM 332 O PHE A 26 -2.214 -10.147 -2.722 1.00 0.00 O ATOM 333 CB PHE A 26 -1.133 -7.046 -1.832 1.00 0.00 C ATOM 334 CG PHE A 26 -2.575 -6.657 -1.991 1.00 0.00 C ATOM 335 CD1 PHE A 26 -3.586 -7.539 -1.644 1.00 0.00 C ATOM 336 CD2 PHE A 26 -2.919 -5.410 -2.487 1.00 0.00 C ATOM 337 CE1 PHE A 26 -4.914 -7.184 -1.788 1.00 0.00 C ATOM 338 CE2 PHE A 26 -4.246 -5.049 -2.632 1.00 0.00 C ATOM 339 CZ PHE A 26 -5.244 -5.938 -2.284 1.00 0.00 C ATOM 0 H PHE A 26 -2.139 -8.162 -4.228 1.00 0.00 H new ATOM 0 HA PHE A 26 0.354 -8.364 -2.654 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.937 -7.264 -0.782 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -0.504 -6.198 -2.104 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -3.333 -8.515 -1.257 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -2.142 -4.712 -2.763 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.693 -7.880 -1.513 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -4.502 -4.073 -3.017 1.00 0.00 H new ATOM 0 HZ PHE A 26 -6.281 -5.659 -2.400 1.00 0.00 H new ATOM 349 N LYS A 27 -0.915 -9.900 -0.902 1.00 0.00 N ATOM 350 CA LYS A 27 -1.428 -11.091 -0.237 1.00 0.00 C ATOM 351 C LYS A 27 -1.805 -10.787 1.209 1.00 0.00 C ATOM 352 O LYS A 27 -1.151 -9.986 1.875 1.00 0.00 O ATOM 353 CB LYS A 27 -0.388 -12.213 -0.280 1.00 0.00 C ATOM 354 CG LYS A 27 -0.995 -13.605 -0.303 1.00 0.00 C ATOM 355 CD LYS A 27 -1.234 -14.132 1.102 1.00 0.00 C ATOM 356 CE LYS A 27 -1.752 -15.562 1.080 1.00 0.00 C ATOM 357 NZ LYS A 27 -2.451 -15.918 2.346 1.00 0.00 N ATOM 0 H LYS A 27 -0.203 -9.396 -0.373 1.00 0.00 H new ATOM 0 HA LYS A 27 -2.324 -11.415 -0.767 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.237 -12.084 -1.164 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.265 -12.125 0.588 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.938 -13.583 -0.850 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.332 -14.284 -0.839 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -0.305 -14.089 1.671 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.952 -13.492 1.615 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.435 -15.688 0.240 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.920 -16.247 0.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -2.789 -16.900 2.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.792 -15.822 3.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -3.261 -15.280 2.487 1.00 0.00 H new ATOM 371 N GLU A 28 -2.864 -11.434 1.689 1.00 0.00 N ATOM 372 CA GLU A 28 -3.326 -11.232 3.057 1.00 0.00 C ATOM 373 C GLU A 28 -2.166 -11.332 4.043 1.00 0.00 C ATOM 374 O GLU A 28 -1.459 -12.338 4.086 1.00 0.00 O ATOM 375 CB GLU A 28 -4.402 -12.260 3.412 1.00 0.00 C ATOM 376 CG GLU A 28 -4.786 -12.256 4.882 1.00 0.00 C ATOM 377 CD GLU A 28 -5.430 -13.557 5.320 1.00 0.00 C ATOM 378 OE1 GLU A 28 -4.907 -14.630 4.954 1.00 0.00 O ATOM 379 OE2 GLU A 28 -6.458 -13.502 6.027 1.00 0.00 O ATOM 0 H GLU A 28 -3.417 -12.101 1.151 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.753 -10.231 3.126 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.291 -12.065 2.812 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -4.047 -13.254 3.141 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -3.897 -12.074 5.485 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -5.474 -11.432 5.072 1.00 0.00 H new ATOM 386 N GLY A 29 -1.977 -10.281 4.834 1.00 0.00 N ATOM 387 CA GLY A 29 -0.902 -10.270 5.809 1.00 0.00 C ATOM 388 C GLY A 29 0.352 -9.601 5.282 1.00 0.00 C ATOM 389 O GLY A 29 1.042 -8.893 6.016 1.00 0.00 O ATOM 0 H GLY A 29 -2.549 -9.437 4.817 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -1.236 -9.752 6.708 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.669 -11.294 6.100 1.00 0.00 H new ATOM 393 N ASP A 30 0.649 -9.826 4.007 1.00 0.00 N ATOM 394 CA ASP A 30 1.829 -9.240 3.382 1.00 0.00 C ATOM 395 C ASP A 30 1.862 -7.729 3.592 1.00 0.00 C ATOM 396 O ASP A 30 0.936 -7.018 3.201 1.00 0.00 O ATOM 397 CB ASP A 30 1.853 -9.560 1.887 1.00 0.00 C ATOM 398 CG ASP A 30 2.120 -11.027 1.612 1.00 0.00 C ATOM 399 OD1 ASP A 30 1.607 -11.875 2.372 1.00 0.00 O ATOM 400 OD2 ASP A 30 2.841 -11.326 0.638 1.00 0.00 O ATOM 0 H ASP A 30 0.089 -10.410 3.386 1.00 0.00 H new ATOM 0 HA ASP A 30 2.712 -9.673 3.852 1.00 0.00 H new ATOM 0 HB2 ASP A 30 0.898 -9.278 1.443 1.00 0.00 H new ATOM 0 HB3 ASP A 30 2.621 -8.957 1.402 1.00 0.00 H new ATOM 405 N ILE A 31 2.933 -7.246 4.213 1.00 0.00 N ATOM 406 CA ILE A 31 3.086 -5.821 4.475 1.00 0.00 C ATOM 407 C ILE A 31 3.708 -5.106 3.280 1.00 0.00 C ATOM 408 O ILE A 31 4.819 -5.431 2.859 1.00 0.00 O ATOM 409 CB ILE A 31 3.956 -5.567 5.720 1.00 0.00 C ATOM 410 CG1 ILE A 31 3.453 -6.402 6.899 1.00 0.00 C ATOM 411 CG2 ILE A 31 3.956 -4.087 6.074 1.00 0.00 C ATOM 412 CD1 ILE A 31 2.248 -5.805 7.592 1.00 0.00 C ATOM 0 H ILE A 31 3.708 -7.821 4.544 1.00 0.00 H new ATOM 0 HA ILE A 31 2.087 -5.424 4.653 1.00 0.00 H new ATOM 0 HB ILE A 31 4.980 -5.867 5.497 1.00 0.00 H new ATOM 0 HG12 ILE A 31 3.200 -7.401 6.544 1.00 0.00 H new ATOM 0 HG13 ILE A 31 4.259 -6.516 7.624 1.00 0.00 H new ATOM 0 HG21 ILE A 31 4.575 -3.924 6.956 1.00 0.00 H new ATOM 0 HG22 ILE A 31 4.356 -3.513 5.238 1.00 0.00 H new ATOM 0 HG23 ILE A 31 2.936 -3.763 6.282 1.00 0.00 H new ATOM 0 HD11 ILE A 31 1.946 -6.450 8.417 1.00 0.00 H new ATOM 0 HD12 ILE A 31 2.502 -4.817 7.977 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.426 -5.717 6.881 1.00 0.00 H new ATOM 424 N ILE A 32 2.986 -4.130 2.740 1.00 0.00 N ATOM 425 CA ILE A 32 3.468 -3.367 1.595 1.00 0.00 C ATOM 426 C ILE A 32 4.028 -2.018 2.031 1.00 0.00 C ATOM 427 O ILE A 32 3.303 -1.171 2.555 1.00 0.00 O ATOM 428 CB ILE A 32 2.351 -3.137 0.561 1.00 0.00 C ATOM 429 CG1 ILE A 32 1.751 -4.474 0.119 1.00 0.00 C ATOM 430 CG2 ILE A 32 2.888 -2.370 -0.638 1.00 0.00 C ATOM 431 CD1 ILE A 32 0.300 -4.377 -0.297 1.00 0.00 C ATOM 0 H ILE A 32 2.065 -3.849 3.077 1.00 0.00 H new ATOM 0 HA ILE A 32 4.261 -3.956 1.135 1.00 0.00 H new ATOM 0 HB ILE A 32 1.564 -2.543 1.025 1.00 0.00 H new ATOM 0 HG12 ILE A 32 2.334 -4.867 -0.714 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.839 -5.190 0.936 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.086 -2.215 -1.360 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.272 -1.404 -0.310 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.691 -2.940 -1.105 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.059 -5.361 -0.598 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.295 -4.014 0.541 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.207 -3.686 -1.135 1.00 0.00 H new ATOM 443 N THR A 33 5.324 -1.821 1.810 1.00 0.00 N ATOM 444 CA THR A 33 5.982 -0.574 2.178 1.00 0.00 C ATOM 445 C THR A 33 5.243 0.628 1.603 1.00 0.00 C ATOM 446 O THR A 33 4.519 0.510 0.614 1.00 0.00 O ATOM 447 CB THR A 33 7.444 -0.545 1.693 1.00 0.00 C ATOM 448 OG1 THR A 33 8.065 -1.812 1.934 1.00 0.00 O ATOM 449 CG2 THR A 33 8.226 0.552 2.398 1.00 0.00 C ATOM 0 H THR A 33 5.939 -2.510 1.377 1.00 0.00 H new ATOM 0 HA THR A 33 5.968 -0.519 3.266 1.00 0.00 H new ATOM 0 HB THR A 33 7.445 -0.339 0.623 1.00 0.00 H new ATOM 0 HG1 THR A 33 8.993 -1.786 1.621 1.00 0.00 H new ATOM 0 HG21 THR A 33 9.255 0.553 2.039 1.00 0.00 H new ATOM 0 HG22 THR A 33 7.767 1.518 2.188 1.00 0.00 H new ATOM 0 HG23 THR A 33 8.217 0.372 3.473 1.00 0.00 H new ATOM 457 N LEU A 34 5.431 1.786 2.227 1.00 0.00 N ATOM 458 CA LEU A 34 4.782 3.012 1.775 1.00 0.00 C ATOM 459 C LEU A 34 5.815 4.087 1.452 1.00 0.00 C ATOM 460 O LEU A 34 6.742 4.327 2.226 1.00 0.00 O ATOM 461 CB LEU A 34 3.815 3.524 2.844 1.00 0.00 C ATOM 462 CG LEU A 34 2.571 2.669 3.088 1.00 0.00 C ATOM 463 CD1 LEU A 34 1.771 3.212 4.262 1.00 0.00 C ATOM 464 CD2 LEU A 34 1.710 2.610 1.835 1.00 0.00 C ATOM 0 H LEU A 34 6.027 1.902 3.047 1.00 0.00 H new ATOM 0 HA LEU A 34 4.224 2.785 0.867 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.359 3.615 3.784 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.493 4.527 2.564 1.00 0.00 H new ATOM 0 HG LEU A 34 2.892 1.656 3.332 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.890 2.591 4.420 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.389 3.201 5.160 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.460 4.235 4.049 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.829 1.997 2.027 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.398 3.618 1.560 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.285 2.173 1.019 1.00 0.00 H new ATOM 476 N THR A 35 5.647 4.735 0.303 1.00 0.00 N ATOM 477 CA THR A 35 6.564 5.785 -0.123 1.00 0.00 C ATOM 478 C THR A 35 5.816 7.079 -0.422 1.00 0.00 C ATOM 479 O THR A 35 6.137 8.133 0.124 1.00 0.00 O ATOM 480 CB THR A 35 7.358 5.364 -1.374 1.00 0.00 C ATOM 481 OG1 THR A 35 6.461 5.097 -2.457 1.00 0.00 O ATOM 482 CG2 THR A 35 8.200 4.129 -1.089 1.00 0.00 C ATOM 0 H THR A 35 4.884 4.551 -0.349 1.00 0.00 H new ATOM 0 HA THR A 35 7.259 5.951 0.700 1.00 0.00 H new ATOM 0 HB THR A 35 8.023 6.183 -1.648 1.00 0.00 H new ATOM 0 HG1 THR A 35 5.890 4.335 -2.228 1.00 0.00 H new ATOM 0 HG21 THR A 35 8.752 3.850 -1.987 1.00 0.00 H new ATOM 0 HG22 THR A 35 8.902 4.345 -0.284 1.00 0.00 H new ATOM 0 HG23 THR A 35 7.550 3.306 -0.792 1.00 0.00 H new ATOM 490 N ASN A 36 4.816 6.992 -1.294 1.00 0.00 N ATOM 491 CA ASN A 36 4.021 8.157 -1.665 1.00 0.00 C ATOM 492 C ASN A 36 2.626 7.741 -2.122 1.00 0.00 C ATOM 493 O ASN A 36 2.333 6.553 -2.248 1.00 0.00 O ATOM 494 CB ASN A 36 4.720 8.943 -2.776 1.00 0.00 C ATOM 495 CG ASN A 36 4.331 10.409 -2.780 1.00 0.00 C ATOM 496 OD1 ASN A 36 3.377 10.808 -3.447 1.00 0.00 O ATOM 497 ND2 ASN A 36 5.072 11.219 -2.032 1.00 0.00 N ATOM 0 H ASN A 36 4.537 6.127 -1.757 1.00 0.00 H new ATOM 0 HA ASN A 36 3.921 8.793 -0.785 1.00 0.00 H new ATOM 0 HB2 ASN A 36 5.800 8.857 -2.654 1.00 0.00 H new ATOM 0 HB3 ASN A 36 4.472 8.501 -3.741 1.00 0.00 H new ATOM 0 HD21 ASN A 36 4.859 12.216 -1.995 1.00 0.00 H new ATOM 0 HD22 ASN A 36 5.854 10.844 -1.495 1.00 0.00 H new ATOM 504 N GLN A 37 1.771 8.729 -2.368 1.00 0.00 N ATOM 505 CA GLN A 37 0.407 8.465 -2.810 1.00 0.00 C ATOM 506 C GLN A 37 0.094 9.229 -4.092 1.00 0.00 C ATOM 507 O GLN A 37 0.377 10.422 -4.200 1.00 0.00 O ATOM 508 CB GLN A 37 -0.590 8.850 -1.716 1.00 0.00 C ATOM 509 CG GLN A 37 -2.043 8.679 -2.129 1.00 0.00 C ATOM 510 CD GLN A 37 -2.965 9.664 -1.439 1.00 0.00 C ATOM 511 OE1 GLN A 37 -2.560 10.774 -1.092 1.00 0.00 O ATOM 512 NE2 GLN A 37 -4.215 9.264 -1.237 1.00 0.00 N ATOM 0 H GLN A 37 1.999 9.718 -2.269 1.00 0.00 H new ATOM 0 HA GLN A 37 0.317 7.398 -3.013 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -0.399 8.242 -0.831 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -0.422 9.889 -1.432 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -2.127 8.803 -3.209 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -2.365 7.663 -1.899 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -4.509 8.336 -1.541 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -4.881 9.885 -0.778 1.00 0.00 H new ATOM 521 N ILE A 38 -0.492 8.533 -5.061 1.00 0.00 N ATOM 522 CA ILE A 38 -0.845 9.147 -6.335 1.00 0.00 C ATOM 523 C ILE A 38 -2.343 9.418 -6.419 1.00 0.00 C ATOM 524 O ILE A 38 -2.767 10.496 -6.837 1.00 0.00 O ATOM 525 CB ILE A 38 -0.428 8.258 -7.523 1.00 0.00 C ATOM 526 CG1 ILE A 38 1.097 8.170 -7.611 1.00 0.00 C ATOM 527 CG2 ILE A 38 -1.009 8.802 -8.820 1.00 0.00 C ATOM 528 CD1 ILE A 38 1.682 7.021 -6.819 1.00 0.00 C ATOM 0 H ILE A 38 -0.732 7.544 -4.988 1.00 0.00 H new ATOM 0 HA ILE A 38 -0.304 10.092 -6.390 1.00 0.00 H new ATOM 0 HB ILE A 38 -0.822 7.254 -7.364 1.00 0.00 H new ATOM 0 HG12 ILE A 38 1.387 8.065 -8.656 1.00 0.00 H new ATOM 0 HG13 ILE A 38 1.528 9.105 -7.253 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -0.706 8.164 -9.650 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -2.097 8.818 -8.753 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.641 9.814 -8.987 1.00 0.00 H new ATOM 0 HD11 ILE A 38 2.767 7.020 -6.927 1.00 0.00 H new ATOM 0 HD12 ILE A 38 1.422 7.135 -5.767 1.00 0.00 H new ATOM 0 HD13 ILE A 38 1.279 6.079 -7.192 1.00 0.00 H new ATOM 540 N ASP A 39 -3.140 8.434 -6.018 1.00 0.00 N ATOM 541 CA ASP A 39 -4.592 8.567 -6.045 1.00 0.00 C ATOM 542 C ASP A 39 -5.145 8.774 -4.638 1.00 0.00 C ATOM 543 O ASP A 39 -4.398 8.765 -3.660 1.00 0.00 O ATOM 544 CB ASP A 39 -5.227 7.328 -6.678 1.00 0.00 C ATOM 545 CG ASP A 39 -4.404 6.778 -7.826 1.00 0.00 C ATOM 546 OD1 ASP A 39 -3.248 6.372 -7.585 1.00 0.00 O ATOM 547 OD2 ASP A 39 -4.915 6.753 -8.965 1.00 0.00 O ATOM 0 H ASP A 39 -2.805 7.535 -5.670 1.00 0.00 H new ATOM 0 HA ASP A 39 -4.841 9.441 -6.646 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.346 6.556 -5.918 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -6.225 7.578 -7.038 1.00 0.00 H new ATOM 552 N GLU A 40 -6.458 8.962 -4.545 1.00 0.00 N ATOM 553 CA GLU A 40 -7.109 9.174 -3.258 1.00 0.00 C ATOM 554 C GLU A 40 -7.465 7.843 -2.602 1.00 0.00 C ATOM 555 O GLU A 40 -7.821 7.794 -1.426 1.00 0.00 O ATOM 556 CB GLU A 40 -8.370 10.023 -3.433 1.00 0.00 C ATOM 557 CG GLU A 40 -8.089 11.443 -3.893 1.00 0.00 C ATOM 558 CD GLU A 40 -7.192 12.201 -2.933 1.00 0.00 C ATOM 559 OE1 GLU A 40 -6.993 11.717 -1.799 1.00 0.00 O ATOM 560 OE2 GLU A 40 -6.690 13.278 -3.316 1.00 0.00 O ATOM 0 H GLU A 40 -7.091 8.972 -5.345 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.411 9.703 -2.609 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -9.026 9.539 -4.156 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -8.909 10.057 -2.486 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.621 11.416 -4.877 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -9.032 11.979 -4.003 1.00 0.00 H new ATOM 567 N ASN A 41 -7.366 6.765 -3.374 1.00 0.00 N ATOM 568 CA ASN A 41 -7.679 5.433 -2.870 1.00 0.00 C ATOM 569 C ASN A 41 -6.545 4.457 -3.170 1.00 0.00 C ATOM 570 O ASN A 41 -6.675 3.253 -2.952 1.00 0.00 O ATOM 571 CB ASN A 41 -8.982 4.924 -3.489 1.00 0.00 C ATOM 572 CG ASN A 41 -10.205 5.377 -2.715 1.00 0.00 C ATOM 573 OD1 ASN A 41 -10.351 5.076 -1.530 1.00 0.00 O ATOM 574 ND2 ASN A 41 -11.093 6.104 -3.384 1.00 0.00 N ATOM 0 H ASN A 41 -7.072 6.788 -4.350 1.00 0.00 H new ATOM 0 HA ASN A 41 -7.800 5.500 -1.789 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -9.055 5.277 -4.518 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -8.962 3.835 -3.527 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -11.936 6.436 -2.916 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -10.931 6.330 -4.365 1.00 0.00 H new ATOM 581 N TRP A 42 -5.435 4.986 -3.672 1.00 0.00 N ATOM 582 CA TRP A 42 -4.277 4.162 -4.002 1.00 0.00 C ATOM 583 C TRP A 42 -3.034 4.651 -3.268 1.00 0.00 C ATOM 584 O TRP A 42 -3.017 5.755 -2.722 1.00 0.00 O ATOM 585 CB TRP A 42 -4.031 4.174 -5.511 1.00 0.00 C ATOM 586 CG TRP A 42 -5.173 3.614 -6.304 1.00 0.00 C ATOM 587 CD1 TRP A 42 -6.406 4.177 -6.476 1.00 0.00 C ATOM 588 CD2 TRP A 42 -5.189 2.380 -7.030 1.00 0.00 C ATOM 589 NE1 TRP A 42 -7.186 3.367 -7.265 1.00 0.00 N ATOM 590 CE2 TRP A 42 -6.463 2.259 -7.619 1.00 0.00 C ATOM 591 CE3 TRP A 42 -4.250 1.367 -7.242 1.00 0.00 C ATOM 592 CZ2 TRP A 42 -6.819 1.165 -8.403 1.00 0.00 C ATOM 593 CZ3 TRP A 42 -4.606 0.281 -8.020 1.00 0.00 C ATOM 594 CH2 TRP A 42 -5.881 0.188 -8.593 1.00 0.00 C ATOM 0 H TRP A 42 -5.312 5.981 -3.859 1.00 0.00 H new ATOM 0 HA TRP A 42 -4.486 3.141 -3.683 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -3.842 5.198 -5.833 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -3.130 3.600 -5.730 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -6.721 5.120 -6.054 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -8.148 3.560 -7.542 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -3.264 1.431 -6.806 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -7.801 1.090 -8.846 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -3.889 -0.509 -8.189 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -6.128 -0.673 -9.197 1.00 0.00 H new ATOM 605 N TYR A 43 -1.995 3.824 -3.257 1.00 0.00 N ATOM 606 CA TYR A 43 -0.747 4.173 -2.588 1.00 0.00 C ATOM 607 C TYR A 43 0.456 3.806 -3.452 1.00 0.00 C ATOM 608 O TYR A 43 0.317 3.140 -4.477 1.00 0.00 O ATOM 609 CB TYR A 43 -0.654 3.462 -1.236 1.00 0.00 C ATOM 610 CG TYR A 43 -1.261 4.248 -0.096 1.00 0.00 C ATOM 611 CD1 TYR A 43 -1.003 5.605 0.054 1.00 0.00 C ATOM 612 CD2 TYR A 43 -2.094 3.633 0.831 1.00 0.00 C ATOM 613 CE1 TYR A 43 -1.555 6.326 1.095 1.00 0.00 C ATOM 614 CE2 TYR A 43 -2.651 4.347 1.874 1.00 0.00 C ATOM 615 CZ TYR A 43 -2.378 5.693 2.002 1.00 0.00 C ATOM 616 OH TYR A 43 -2.931 6.408 3.039 1.00 0.00 O ATOM 0 H TYR A 43 -1.992 2.907 -3.704 1.00 0.00 H new ATOM 0 HA TYR A 43 -0.739 5.251 -2.426 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -1.154 2.496 -1.308 1.00 0.00 H new ATOM 0 HB3 TYR A 43 0.394 3.262 -1.011 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -0.360 6.105 -0.655 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -2.309 2.579 0.734 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -1.343 7.380 1.198 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -3.297 3.854 2.586 1.00 0.00 H new ATOM 0 HH TYR A 43 -3.661 5.892 3.440 1.00 0.00 H new ATOM 626 N GLU A 44 1.636 4.246 -3.028 1.00 0.00 N ATOM 627 CA GLU A 44 2.864 3.965 -3.763 1.00 0.00 C ATOM 628 C GLU A 44 3.905 3.317 -2.855 1.00 0.00 C ATOM 629 O GLU A 44 4.380 3.930 -1.899 1.00 0.00 O ATOM 630 CB GLU A 44 3.429 5.252 -4.367 1.00 0.00 C ATOM 631 CG GLU A 44 4.235 5.026 -5.636 1.00 0.00 C ATOM 632 CD GLU A 44 4.992 6.265 -6.074 1.00 0.00 C ATOM 633 OE1 GLU A 44 4.545 7.382 -5.743 1.00 0.00 O ATOM 634 OE2 GLU A 44 6.032 6.115 -6.749 1.00 0.00 O ATOM 0 H GLU A 44 1.768 4.798 -2.180 1.00 0.00 H new ATOM 0 HA GLU A 44 2.625 3.269 -4.567 1.00 0.00 H new ATOM 0 HB2 GLU A 44 2.606 5.933 -4.586 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.061 5.743 -3.628 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.941 4.212 -5.473 1.00 0.00 H new ATOM 0 HG3 GLU A 44 3.565 4.712 -6.436 1.00 0.00 H new ATOM 641 N GLY A 45 4.256 2.071 -3.160 1.00 0.00 N ATOM 642 CA GLY A 45 5.237 1.360 -2.363 1.00 0.00 C ATOM 643 C GLY A 45 5.997 0.323 -3.167 1.00 0.00 C ATOM 644 O GLY A 45 5.819 0.217 -4.380 1.00 0.00 O ATOM 0 H GLY A 45 3.878 1.542 -3.946 1.00 0.00 H new ATOM 0 HA2 GLY A 45 5.942 2.074 -1.939 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.736 0.872 -1.527 1.00 0.00 H new ATOM 648 N MET A 46 6.847 -0.442 -2.490 1.00 0.00 N ATOM 649 CA MET A 46 7.636 -1.475 -3.150 1.00 0.00 C ATOM 650 C MET A 46 7.231 -2.863 -2.665 1.00 0.00 C ATOM 651 O MET A 46 7.111 -3.101 -1.462 1.00 0.00 O ATOM 652 CB MET A 46 9.127 -1.249 -2.895 1.00 0.00 C ATOM 653 CG MET A 46 9.787 -0.336 -3.917 1.00 0.00 C ATOM 654 SD MET A 46 11.586 -0.340 -3.792 1.00 0.00 S ATOM 655 CE MET A 46 11.807 0.122 -2.076 1.00 0.00 C ATOM 0 H MET A 46 7.007 -0.366 -1.485 1.00 0.00 H new ATOM 0 HA MET A 46 7.444 -1.414 -4.221 1.00 0.00 H new ATOM 0 HB2 MET A 46 9.256 -0.821 -1.901 1.00 0.00 H new ATOM 0 HB3 MET A 46 9.638 -2.212 -2.897 1.00 0.00 H new ATOM 0 HG2 MET A 46 9.496 -0.649 -4.920 1.00 0.00 H new ATOM 0 HG3 MET A 46 9.419 0.681 -3.781 1.00 0.00 H new ATOM 0 HE1 MET A 46 12.853 0.370 -1.898 1.00 0.00 H new ATOM 0 HE2 MET A 46 11.185 0.988 -1.849 1.00 0.00 H new ATOM 0 HE3 MET A 46 11.517 -0.710 -1.435 1.00 0.00 H new ATOM 665 N LEU A 47 7.019 -3.776 -3.606 1.00 0.00 N ATOM 666 CA LEU A 47 6.627 -5.141 -3.274 1.00 0.00 C ATOM 667 C LEU A 47 7.180 -6.131 -4.295 1.00 0.00 C ATOM 668 O LEU A 47 6.990 -5.967 -5.500 1.00 0.00 O ATOM 669 CB LEU A 47 5.102 -5.254 -3.212 1.00 0.00 C ATOM 670 CG LEU A 47 4.549 -6.453 -2.441 1.00 0.00 C ATOM 671 CD1 LEU A 47 4.979 -6.395 -0.984 1.00 0.00 C ATOM 672 CD2 LEU A 47 3.032 -6.502 -2.550 1.00 0.00 C ATOM 0 H LEU A 47 7.112 -3.596 -4.606 1.00 0.00 H new ATOM 0 HA LEU A 47 7.044 -5.384 -2.297 1.00 0.00 H new ATOM 0 HB2 LEU A 47 4.708 -4.344 -2.760 1.00 0.00 H new ATOM 0 HB3 LEU A 47 4.719 -5.295 -4.232 1.00 0.00 H new ATOM 0 HG LEU A 47 4.955 -7.363 -2.882 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.576 -7.256 -0.451 1.00 0.00 H new ATOM 0 HD12 LEU A 47 6.067 -6.408 -0.925 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.602 -5.479 -0.530 1.00 0.00 H new ATOM 0 HD21 LEU A 47 2.655 -7.361 -1.996 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.608 -5.588 -2.135 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.745 -6.592 -3.598 1.00 0.00 H new ATOM 684 N HIS A 48 7.864 -7.160 -3.803 1.00 0.00 N ATOM 685 CA HIS A 48 8.442 -8.178 -4.673 1.00 0.00 C ATOM 686 C HIS A 48 9.457 -7.562 -5.630 1.00 0.00 C ATOM 687 O HIS A 48 9.491 -7.895 -6.814 1.00 0.00 O ATOM 688 CB HIS A 48 7.343 -8.888 -5.464 1.00 0.00 C ATOM 689 CG HIS A 48 6.744 -10.056 -4.742 1.00 0.00 C ATOM 690 ND1 HIS A 48 7.246 -11.336 -4.836 1.00 0.00 N ATOM 691 CD2 HIS A 48 5.680 -10.130 -3.909 1.00 0.00 C ATOM 692 CE1 HIS A 48 6.516 -12.149 -4.093 1.00 0.00 C ATOM 693 NE2 HIS A 48 5.559 -11.442 -3.520 1.00 0.00 N ATOM 0 H HIS A 48 8.031 -7.310 -2.808 1.00 0.00 H new ATOM 0 HA HIS A 48 8.956 -8.907 -4.046 1.00 0.00 H new ATOM 0 HB2 HIS A 48 6.555 -8.172 -5.697 1.00 0.00 H new ATOM 0 HB3 HIS A 48 7.754 -9.230 -6.414 1.00 0.00 H new ATOM 0 HD2 HIS A 48 5.045 -9.311 -3.607 1.00 0.00 H new ATOM 0 HE1 HIS A 48 6.675 -13.211 -3.975 1.00 0.00 H new ATOM 0 HE2 HIS A 48 4.846 -11.810 -2.891 1.00 0.00 H new ATOM 702 N GLY A 49 10.284 -6.660 -5.110 1.00 0.00 N ATOM 703 CA GLY A 49 11.288 -6.011 -5.932 1.00 0.00 C ATOM 704 C GLY A 49 10.677 -5.163 -7.031 1.00 0.00 C ATOM 705 O GLY A 49 11.358 -4.787 -7.985 1.00 0.00 O ATOM 0 H GLY A 49 10.276 -6.367 -4.133 1.00 0.00 H new ATOM 0 HA2 GLY A 49 11.919 -5.384 -5.302 1.00 0.00 H new ATOM 0 HA3 GLY A 49 11.933 -6.768 -6.378 1.00 0.00 H new ATOM 709 N HIS A 50 9.389 -4.862 -6.898 1.00 0.00 N ATOM 710 CA HIS A 50 8.687 -4.054 -7.888 1.00 0.00 C ATOM 711 C HIS A 50 8.055 -2.826 -7.238 1.00 0.00 C ATOM 712 O HIS A 50 8.050 -2.693 -6.014 1.00 0.00 O ATOM 713 CB HIS A 50 7.611 -4.886 -8.586 1.00 0.00 C ATOM 714 CG HIS A 50 8.143 -6.122 -9.244 1.00 0.00 C ATOM 715 ND1 HIS A 50 9.195 -6.107 -10.135 1.00 0.00 N ATOM 716 CD2 HIS A 50 7.763 -7.416 -9.135 1.00 0.00 C ATOM 717 CE1 HIS A 50 9.438 -7.338 -10.547 1.00 0.00 C ATOM 718 NE2 HIS A 50 8.583 -8.152 -9.955 1.00 0.00 N ATOM 0 H HIS A 50 8.811 -5.166 -6.114 1.00 0.00 H new ATOM 0 HA HIS A 50 9.414 -3.718 -8.628 1.00 0.00 H new ATOM 0 HB2 HIS A 50 6.853 -5.170 -7.856 1.00 0.00 H new ATOM 0 HB3 HIS A 50 7.116 -4.269 -9.336 1.00 0.00 H new ATOM 0 HD2 HIS A 50 6.964 -7.799 -8.518 1.00 0.00 H new ATOM 0 HE1 HIS A 50 10.205 -7.629 -11.249 1.00 0.00 H new ATOM 0 HE2 HIS A 50 8.539 -9.163 -10.085 1.00 0.00 H new ATOM 727 N SER A 51 7.525 -1.931 -8.065 1.00 0.00 N ATOM 728 CA SER A 51 6.895 -0.713 -7.571 1.00 0.00 C ATOM 729 C SER A 51 5.631 -0.395 -8.364 1.00 0.00 C ATOM 730 O SER A 51 5.687 -0.136 -9.566 1.00 0.00 O ATOM 731 CB SER A 51 7.872 0.462 -7.655 1.00 0.00 C ATOM 732 OG SER A 51 7.216 1.691 -7.396 1.00 0.00 O ATOM 0 H SER A 51 7.519 -2.027 -9.080 1.00 0.00 H new ATOM 0 HA SER A 51 6.619 -0.873 -6.529 1.00 0.00 H new ATOM 0 HB2 SER A 51 8.680 0.319 -6.937 1.00 0.00 H new ATOM 0 HB3 SER A 51 8.327 0.491 -8.645 1.00 0.00 H new ATOM 0 HG SER A 51 7.862 2.425 -7.454 1.00 0.00 H new ATOM 738 N GLY A 52 4.490 -0.415 -7.681 1.00 0.00 N ATOM 739 CA GLY A 52 3.228 -0.128 -8.336 1.00 0.00 C ATOM 740 C GLY A 52 2.214 0.492 -7.395 1.00 0.00 C ATOM 741 O GLY A 52 2.487 0.672 -6.208 1.00 0.00 O ATOM 0 H GLY A 52 4.418 -0.625 -6.685 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.402 0.547 -9.174 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.819 -1.050 -8.750 1.00 0.00 H new ATOM 745 N PHE A 53 1.041 0.821 -7.926 1.00 0.00 N ATOM 746 CA PHE A 53 -0.017 1.427 -7.125 1.00 0.00 C ATOM 747 C PHE A 53 -1.089 0.400 -6.773 1.00 0.00 C ATOM 748 O PHE A 53 -1.617 -0.287 -7.647 1.00 0.00 O ATOM 749 CB PHE A 53 -0.647 2.601 -7.879 1.00 0.00 C ATOM 750 CG PHE A 53 0.311 3.308 -8.794 1.00 0.00 C ATOM 751 CD1 PHE A 53 1.487 3.851 -8.303 1.00 0.00 C ATOM 752 CD2 PHE A 53 0.034 3.431 -10.147 1.00 0.00 C ATOM 753 CE1 PHE A 53 2.369 4.503 -9.143 1.00 0.00 C ATOM 754 CE2 PHE A 53 0.913 4.082 -10.992 1.00 0.00 C ATOM 755 CZ PHE A 53 2.083 4.618 -10.489 1.00 0.00 C ATOM 0 H PHE A 53 0.799 0.678 -8.907 1.00 0.00 H new ATOM 0 HA PHE A 53 0.427 1.794 -6.200 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.492 2.236 -8.463 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -1.043 3.316 -7.157 1.00 0.00 H new ATOM 0 HD1 PHE A 53 1.717 3.764 -7.251 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -0.879 3.013 -10.545 1.00 0.00 H new ATOM 0 HE1 PHE A 53 3.282 4.923 -8.747 1.00 0.00 H new ATOM 0 HE2 PHE A 53 0.686 4.172 -12.044 1.00 0.00 H new ATOM 0 HZ PHE A 53 2.772 5.126 -11.147 1.00 0.00 H new ATOM 765 N PHE A 54 -1.405 0.302 -5.486 1.00 0.00 N ATOM 766 CA PHE A 54 -2.413 -0.642 -5.016 1.00 0.00 C ATOM 767 C PHE A 54 -3.540 0.084 -4.288 1.00 0.00 C ATOM 768 O PHE A 54 -3.367 1.183 -3.762 1.00 0.00 O ATOM 769 CB PHE A 54 -1.777 -1.680 -4.089 1.00 0.00 C ATOM 770 CG PHE A 54 -0.840 -1.085 -3.077 1.00 0.00 C ATOM 771 CD1 PHE A 54 0.363 -0.523 -3.472 1.00 0.00 C ATOM 772 CD2 PHE A 54 -1.162 -1.089 -1.729 1.00 0.00 C ATOM 773 CE1 PHE A 54 1.227 0.026 -2.543 1.00 0.00 C ATOM 774 CE2 PHE A 54 -0.302 -0.542 -0.795 1.00 0.00 C ATOM 775 CZ PHE A 54 0.894 0.015 -1.203 1.00 0.00 C ATOM 0 H PHE A 54 -0.978 0.864 -4.750 1.00 0.00 H new ATOM 0 HA PHE A 54 -2.833 -1.150 -5.884 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -2.566 -2.222 -3.567 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -1.234 -2.409 -4.691 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.629 -0.514 -4.519 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -2.096 -1.524 -1.404 1.00 0.00 H new ATOM 0 HE1 PHE A 54 2.161 0.463 -2.865 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -0.565 -0.550 0.252 1.00 0.00 H new ATOM 0 HZ PHE A 54 1.568 0.441 -0.475 1.00 0.00 H new ATOM 785 N PRO A 55 -4.725 -0.545 -4.258 1.00 0.00 N ATOM 786 CA PRO A 55 -5.905 0.022 -3.598 1.00 0.00 C ATOM 787 C PRO A 55 -5.766 0.043 -2.079 1.00 0.00 C ATOM 788 O PRO A 55 -5.074 -0.793 -1.499 1.00 0.00 O ATOM 789 CB PRO A 55 -7.034 -0.922 -4.018 1.00 0.00 C ATOM 790 CG PRO A 55 -6.356 -2.215 -4.314 1.00 0.00 C ATOM 791 CD PRO A 55 -5.003 -1.858 -4.864 1.00 0.00 C ATOM 0 HA PRO A 55 -6.071 1.061 -3.883 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -7.772 -1.035 -3.224 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -7.562 -0.543 -4.893 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -6.263 -2.822 -3.413 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -6.928 -2.799 -5.035 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -4.249 -2.596 -4.588 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -5.013 -1.804 -5.953 1.00 0.00 H new ATOM 799 N ILE A 56 -6.428 1.003 -1.443 1.00 0.00 N ATOM 800 CA ILE A 56 -6.379 1.131 0.008 1.00 0.00 C ATOM 801 C ILE A 56 -7.575 0.447 0.661 1.00 0.00 C ATOM 802 O ILE A 56 -7.578 0.196 1.866 1.00 0.00 O ATOM 803 CB ILE A 56 -6.347 2.608 0.442 1.00 0.00 C ATOM 804 CG1 ILE A 56 -5.204 3.344 -0.259 1.00 0.00 C ATOM 805 CG2 ILE A 56 -6.204 2.713 1.953 1.00 0.00 C ATOM 806 CD1 ILE A 56 -5.287 4.849 -0.134 1.00 0.00 C ATOM 0 H ILE A 56 -7.004 1.703 -1.909 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.461 0.644 0.337 1.00 0.00 H new ATOM 0 HB ILE A 56 -7.287 3.077 0.152 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -4.255 3.005 0.157 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -5.203 3.075 -1.315 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -6.183 3.763 2.244 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -7.049 2.220 2.434 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -5.277 2.231 2.265 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -4.445 5.304 -0.655 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -6.220 5.200 -0.576 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -5.257 5.129 0.919 1.00 0.00 H new ATOM 818 N ASN A 57 -8.589 0.145 -0.143 1.00 0.00 N ATOM 819 CA ASN A 57 -9.791 -0.512 0.356 1.00 0.00 C ATOM 820 C ASN A 57 -9.520 -1.982 0.665 1.00 0.00 C ATOM 821 O ASN A 57 -10.412 -2.711 1.097 1.00 0.00 O ATOM 822 CB ASN A 57 -10.924 -0.395 -0.666 1.00 0.00 C ATOM 823 CG ASN A 57 -11.040 1.002 -1.242 1.00 0.00 C ATOM 824 OD1 ASN A 57 -10.206 1.428 -2.041 1.00 0.00 O ATOM 825 ND2 ASN A 57 -12.079 1.724 -0.838 1.00 0.00 N ATOM 0 H ASN A 57 -8.602 0.345 -1.143 1.00 0.00 H new ATOM 0 HA ASN A 57 -10.090 -0.014 1.278 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -10.755 -1.106 -1.475 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -11.867 -0.669 -0.192 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -12.210 2.672 -1.192 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -12.746 1.331 -0.174 1.00 0.00 H new ATOM 832 N TYR A 58 -8.282 -2.408 0.441 1.00 0.00 N ATOM 833 CA TYR A 58 -7.893 -3.791 0.693 1.00 0.00 C ATOM 834 C TYR A 58 -6.849 -3.869 1.803 1.00 0.00 C ATOM 835 O TYR A 58 -6.783 -4.851 2.542 1.00 0.00 O ATOM 836 CB TYR A 58 -7.344 -4.429 -0.584 1.00 0.00 C ATOM 837 CG TYR A 58 -8.410 -5.057 -1.453 1.00 0.00 C ATOM 838 CD1 TYR A 58 -9.334 -5.947 -0.920 1.00 0.00 C ATOM 839 CD2 TYR A 58 -8.494 -4.759 -2.808 1.00 0.00 C ATOM 840 CE1 TYR A 58 -10.309 -6.523 -1.711 1.00 0.00 C ATOM 841 CE2 TYR A 58 -9.466 -5.330 -3.606 1.00 0.00 C ATOM 842 CZ TYR A 58 -10.372 -6.211 -3.053 1.00 0.00 C ATOM 843 OH TYR A 58 -11.342 -6.782 -3.844 1.00 0.00 O ATOM 0 H TYR A 58 -7.531 -1.816 0.086 1.00 0.00 H new ATOM 0 HA TYR A 58 -8.779 -4.339 1.013 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -6.817 -3.670 -1.162 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -6.612 -5.190 -0.314 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -9.289 -6.193 0.131 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -7.787 -4.069 -3.244 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -11.019 -7.214 -1.281 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -9.516 -5.088 -4.657 1.00 0.00 H new ATOM 0 HH TYR A 58 -11.248 -6.456 -4.763 1.00 0.00 H new ATOM 853 N VAL A 59 -6.034 -2.825 1.914 1.00 0.00 N ATOM 854 CA VAL A 59 -4.993 -2.772 2.934 1.00 0.00 C ATOM 855 C VAL A 59 -5.310 -1.718 3.989 1.00 0.00 C ATOM 856 O VAL A 59 -6.099 -0.804 3.749 1.00 0.00 O ATOM 857 CB VAL A 59 -3.616 -2.467 2.316 1.00 0.00 C ATOM 858 CG1 VAL A 59 -3.292 -3.463 1.213 1.00 0.00 C ATOM 859 CG2 VAL A 59 -3.574 -1.041 1.787 1.00 0.00 C ATOM 0 H VAL A 59 -6.074 -2.004 1.310 1.00 0.00 H new ATOM 0 HA VAL A 59 -4.961 -3.755 3.405 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.859 -2.565 3.094 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.315 -3.231 0.789 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -3.278 -4.472 1.626 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -4.051 -3.401 0.433 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -2.594 -0.842 1.354 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -4.341 -0.914 1.023 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -3.757 -0.344 2.605 1.00 0.00 H new ATOM 869 N GLU A 60 -4.689 -1.851 5.157 1.00 0.00 N ATOM 870 CA GLU A 60 -4.906 -0.909 6.248 1.00 0.00 C ATOM 871 C GLU A 60 -3.635 -0.117 6.544 1.00 0.00 C ATOM 872 O GLU A 60 -2.524 -0.611 6.348 1.00 0.00 O ATOM 873 CB GLU A 60 -5.363 -1.649 7.507 1.00 0.00 C ATOM 874 CG GLU A 60 -4.303 -2.566 8.093 1.00 0.00 C ATOM 875 CD GLU A 60 -4.888 -3.621 9.012 1.00 0.00 C ATOM 876 OE1 GLU A 60 -5.844 -3.303 9.749 1.00 0.00 O ATOM 877 OE2 GLU A 60 -4.388 -4.765 8.994 1.00 0.00 O ATOM 0 H GLU A 60 -4.032 -2.601 5.371 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.686 -0.211 5.942 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.657 -0.919 8.261 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -6.250 -2.237 7.271 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.762 -3.055 7.283 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -3.577 -1.970 8.646 1.00 0.00 H new ATOM 884 N ILE A 61 -3.807 1.112 7.017 1.00 0.00 N ATOM 885 CA ILE A 61 -2.675 1.972 7.341 1.00 0.00 C ATOM 886 C ILE A 61 -2.390 1.965 8.839 1.00 0.00 C ATOM 887 O ILE A 61 -3.179 2.477 9.634 1.00 0.00 O ATOM 888 CB ILE A 61 -2.920 3.422 6.883 1.00 0.00 C ATOM 889 CG1 ILE A 61 -2.939 3.501 5.355 1.00 0.00 C ATOM 890 CG2 ILE A 61 -1.854 4.345 7.453 1.00 0.00 C ATOM 891 CD1 ILE A 61 -1.611 3.162 4.716 1.00 0.00 C ATOM 0 H ILE A 61 -4.720 1.535 7.185 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.813 1.572 6.808 1.00 0.00 H new ATOM 0 HB ILE A 61 -3.891 3.746 7.257 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.701 2.821 4.974 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.231 4.507 5.055 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.041 5.366 7.120 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.884 4.307 8.542 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.872 4.024 7.106 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.699 3.239 3.632 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.849 3.858 5.069 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.326 2.145 4.986 1.00 0.00 H new ATOM 903 N LEU A 62 -1.258 1.382 9.217 1.00 0.00 N ATOM 904 CA LEU A 62 -0.866 1.310 10.620 1.00 0.00 C ATOM 905 C LEU A 62 -0.099 2.561 11.037 1.00 0.00 C ATOM 906 O LEU A 62 -0.292 3.083 12.135 1.00 0.00 O ATOM 907 CB LEU A 62 -0.010 0.067 10.868 1.00 0.00 C ATOM 908 CG LEU A 62 -0.507 -1.229 10.225 1.00 0.00 C ATOM 909 CD1 LEU A 62 0.494 -2.353 10.448 1.00 0.00 C ATOM 910 CD2 LEU A 62 -1.872 -1.610 10.780 1.00 0.00 C ATOM 0 H LEU A 62 -0.595 0.952 8.572 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.773 1.245 11.221 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.998 0.266 10.505 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.064 -0.090 11.944 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.606 -1.066 9.152 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.124 -3.267 9.984 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.451 -2.082 10.003 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.625 -2.517 11.518 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.210 -2.534 10.311 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.799 -1.755 11.858 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.586 -0.814 10.569 1.00 0.00 H new ATOM 922 N VAL A 63 0.770 3.038 10.151 1.00 0.00 N ATOM 923 CA VAL A 63 1.564 4.230 10.425 1.00 0.00 C ATOM 924 C VAL A 63 1.232 5.349 9.445 1.00 0.00 C ATOM 925 O VAL A 63 1.542 5.260 8.257 1.00 0.00 O ATOM 926 CB VAL A 63 3.073 3.928 10.351 1.00 0.00 C ATOM 927 CG1 VAL A 63 3.875 5.220 10.333 1.00 0.00 C ATOM 928 CG2 VAL A 63 3.496 3.044 11.514 1.00 0.00 C ATOM 0 H VAL A 63 0.942 2.617 9.238 1.00 0.00 H new ATOM 0 HA VAL A 63 1.314 4.551 11.436 1.00 0.00 H new ATOM 0 HB VAL A 63 3.274 3.391 9.424 1.00 0.00 H new ATOM 0 HG11 VAL A 63 4.939 4.987 10.281 1.00 0.00 H new ATOM 0 HG12 VAL A 63 3.590 5.813 9.464 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.672 5.787 11.242 1.00 0.00 H new ATOM 0 HG21 VAL A 63 4.565 2.840 11.446 1.00 0.00 H new ATOM 0 HG22 VAL A 63 3.282 3.553 12.454 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.945 2.105 11.476 1.00 0.00 H new ATOM 938 N ALA A 64 0.599 6.402 9.950 1.00 0.00 N ATOM 939 CA ALA A 64 0.227 7.541 9.119 1.00 0.00 C ATOM 940 C ALA A 64 1.453 8.168 8.466 1.00 0.00 C ATOM 941 O ALA A 64 2.401 8.559 9.149 1.00 0.00 O ATOM 942 CB ALA A 64 -0.521 8.576 9.947 1.00 0.00 C ATOM 0 H ALA A 64 0.333 6.491 10.931 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.430 7.182 8.327 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.793 9.421 9.314 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.424 8.127 10.361 1.00 0.00 H new ATOM 0 HB3 ALA A 64 0.117 8.922 10.760 1.00 0.00 H new ATOM 948 N LEU A 65 1.430 8.262 7.141 1.00 0.00 N ATOM 949 CA LEU A 65 2.541 8.842 6.395 1.00 0.00 C ATOM 950 C LEU A 65 2.938 10.196 6.974 1.00 0.00 C ATOM 951 O LEU A 65 2.123 10.913 7.555 1.00 0.00 O ATOM 952 CB LEU A 65 2.166 8.995 4.920 1.00 0.00 C ATOM 953 CG LEU A 65 2.176 7.712 4.088 1.00 0.00 C ATOM 954 CD1 LEU A 65 1.214 7.829 2.916 1.00 0.00 C ATOM 955 CD2 LEU A 65 3.583 7.405 3.598 1.00 0.00 C ATOM 0 H LEU A 65 0.654 7.944 6.561 1.00 0.00 H new ATOM 0 HA LEU A 65 3.394 8.168 6.479 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.170 9.434 4.863 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.854 9.706 4.463 1.00 0.00 H new ATOM 0 HG LEU A 65 1.846 6.888 4.721 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.234 6.907 2.335 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.204 8.000 3.290 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.513 8.664 2.282 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.571 6.489 3.008 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.941 8.229 2.981 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.246 7.277 4.453 1.00 0.00 H new ATOM 967 N PRO A 66 4.220 10.557 6.812 1.00 0.00 N ATOM 968 CA PRO A 66 4.753 11.828 7.309 1.00 0.00 C ATOM 969 C PRO A 66 4.215 13.026 6.533 1.00 0.00 C ATOM 970 O PRO A 66 4.707 13.349 5.451 1.00 0.00 O ATOM 971 CB PRO A 66 6.262 11.687 7.095 1.00 0.00 C ATOM 972 CG PRO A 66 6.398 10.707 5.982 1.00 0.00 C ATOM 973 CD PRO A 66 5.246 9.751 6.129 1.00 0.00 C ATOM 0 HA PRO A 66 4.470 12.011 8.346 1.00 0.00 H new ATOM 0 HB2 PRO A 66 6.716 12.644 6.837 1.00 0.00 H new ATOM 0 HB3 PRO A 66 6.758 11.331 7.998 1.00 0.00 H new ATOM 0 HG2 PRO A 66 6.368 11.208 5.015 1.00 0.00 H new ATOM 0 HG3 PRO A 66 7.351 10.181 6.039 1.00 0.00 H new ATOM 0 HD2 PRO A 66 4.896 9.391 5.161 1.00 0.00 H new ATOM 0 HD3 PRO A 66 5.523 8.874 6.714 1.00 0.00 H new ATOM 981 N HIS A 67 3.202 13.681 7.091 1.00 0.00 N ATOM 982 CA HIS A 67 2.598 14.844 6.452 1.00 0.00 C ATOM 983 C HIS A 67 3.451 16.090 6.673 1.00 0.00 C ATOM 984 O HIS A 67 3.443 16.675 7.756 1.00 0.00 O ATOM 985 CB HIS A 67 1.187 15.074 6.993 1.00 0.00 C ATOM 986 CG HIS A 67 1.104 15.028 8.488 1.00 0.00 C ATOM 987 ND1 HIS A 67 1.340 16.126 9.289 1.00 0.00 N ATOM 988 CD2 HIS A 67 0.807 14.009 9.327 1.00 0.00 C ATOM 989 CE1 HIS A 67 1.194 15.783 10.556 1.00 0.00 C ATOM 990 NE2 HIS A 67 0.869 14.503 10.606 1.00 0.00 N ATOM 0 H HIS A 67 2.782 13.426 7.985 1.00 0.00 H new ATOM 0 HA HIS A 67 2.541 14.651 5.381 1.00 0.00 H new ATOM 0 HB2 HIS A 67 0.828 16.043 6.647 1.00 0.00 H new ATOM 0 HB3 HIS A 67 0.520 14.319 6.577 1.00 0.00 H new ATOM 0 HD1 HIS A 67 1.588 17.057 8.955 1.00 0.00 H new ATOM 0 HD2 HIS A 67 0.566 12.995 9.043 1.00 0.00 H new ATOM 0 HE1 HIS A 67 1.319 16.437 11.406 1.00 0.00 H new ATOM 999 N SER A 68 4.185 16.489 5.640 1.00 0.00 N ATOM 1000 CA SER A 68 5.047 17.663 5.723 1.00 0.00 C ATOM 1001 C SER A 68 4.465 18.822 4.921 1.00 0.00 C ATOM 1002 O SER A 68 3.547 18.640 4.122 1.00 0.00 O ATOM 1003 CB SER A 68 6.450 17.329 5.214 1.00 0.00 C ATOM 1004 OG SER A 68 7.006 16.239 5.929 1.00 0.00 O ATOM 0 H SER A 68 4.201 16.017 4.736 1.00 0.00 H new ATOM 0 HA SER A 68 5.110 17.963 6.769 1.00 0.00 H new ATOM 0 HB2 SER A 68 6.407 17.087 4.152 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.095 18.202 5.316 1.00 0.00 H new ATOM 0 HG SER A 68 7.902 16.044 5.584 1.00 0.00 H new ATOM 1010 N GLY A 69 5.007 20.017 5.140 1.00 0.00 N ATOM 1011 CA GLY A 69 4.529 21.189 4.430 1.00 0.00 C ATOM 1012 C GLY A 69 4.425 22.407 5.327 1.00 0.00 C ATOM 1013 O GLY A 69 4.129 22.304 6.517 1.00 0.00 O ATOM 0 H GLY A 69 5.768 20.194 5.796 1.00 0.00 H new ATOM 0 HA2 GLY A 69 5.203 21.408 3.601 1.00 0.00 H new ATOM 0 HA3 GLY A 69 3.551 20.975 3.998 1.00 0.00 H new ATOM 1017 N PRO A 70 4.674 23.593 4.752 1.00 0.00 N ATOM 1018 CA PRO A 70 4.614 24.858 5.489 1.00 0.00 C ATOM 1019 C PRO A 70 3.188 25.236 5.878 1.00 0.00 C ATOM 1020 O PRO A 70 2.938 25.687 6.996 1.00 0.00 O ATOM 1021 CB PRO A 70 5.184 25.875 4.497 1.00 0.00 C ATOM 1022 CG PRO A 70 4.928 25.279 3.156 1.00 0.00 C ATOM 1023 CD PRO A 70 5.032 23.790 3.337 1.00 0.00 C ATOM 0 HA PRO A 70 5.162 24.807 6.430 1.00 0.00 H new ATOM 0 HB2 PRO A 70 4.696 26.844 4.599 1.00 0.00 H new ATOM 0 HB3 PRO A 70 6.249 26.035 4.662 1.00 0.00 H new ATOM 0 HG2 PRO A 70 3.942 25.559 2.787 1.00 0.00 H new ATOM 0 HG3 PRO A 70 5.655 25.635 2.426 1.00 0.00 H new ATOM 0 HD2 PRO A 70 4.353 23.256 2.672 1.00 0.00 H new ATOM 0 HD3 PRO A 70 6.038 23.428 3.123 1.00 0.00 H new ATOM 1031 N SER A 71 2.256 25.047 4.949 1.00 0.00 N ATOM 1032 CA SER A 71 0.856 25.371 5.194 1.00 0.00 C ATOM 1033 C SER A 71 -0.041 24.737 4.136 1.00 0.00 C ATOM 1034 O SER A 71 0.211 24.861 2.937 1.00 0.00 O ATOM 1035 CB SER A 71 0.656 26.887 5.207 1.00 0.00 C ATOM 1036 OG SER A 71 0.855 27.417 6.506 1.00 0.00 O ATOM 0 H SER A 71 2.446 24.671 4.020 1.00 0.00 H new ATOM 0 HA SER A 71 0.580 24.967 6.168 1.00 0.00 H new ATOM 0 HB2 SER A 71 1.351 27.355 4.510 1.00 0.00 H new ATOM 0 HB3 SER A 71 -0.350 27.127 4.863 1.00 0.00 H new ATOM 0 HG SER A 71 1.605 26.956 6.936 1.00 0.00 H new ATOM 1042 N SER A 72 -1.090 24.057 4.588 1.00 0.00 N ATOM 1043 CA SER A 72 -2.024 23.399 3.681 1.00 0.00 C ATOM 1044 C SER A 72 -2.603 24.396 2.682 1.00 0.00 C ATOM 1045 O SER A 72 -3.544 25.126 2.991 1.00 0.00 O ATOM 1046 CB SER A 72 -3.154 22.736 4.472 1.00 0.00 C ATOM 1047 OG SER A 72 -2.687 21.594 5.168 1.00 0.00 O ATOM 0 H SER A 72 -1.315 23.947 5.577 1.00 0.00 H new ATOM 0 HA SER A 72 -1.479 22.633 3.129 1.00 0.00 H new ATOM 0 HB2 SER A 72 -3.574 23.450 5.180 1.00 0.00 H new ATOM 0 HB3 SER A 72 -3.957 22.449 3.794 1.00 0.00 H new ATOM 0 HG SER A 72 -3.427 21.190 5.667 1.00 0.00 H new ATOM 1053 N GLY A 73 -2.033 24.419 1.481 1.00 0.00 N ATOM 1054 CA GLY A 73 -2.505 25.329 0.454 1.00 0.00 C ATOM 1055 C GLY A 73 -2.610 26.758 0.948 1.00 0.00 C ATOM 1056 O GLY A 73 -1.606 27.464 1.042 1.00 0.00 O ATOM 0 H GLY A 73 -1.253 23.824 1.201 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -1.827 25.292 -0.399 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -3.481 24.998 0.100 1.00 0.00 H new TER 1060 GLY A 73