USER MOD reduce.3.24.130724 H: found=0, std=0, add=443, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 443 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 20 HIS : no HD1:sc= -3.29! X(o=-5.1!,f=-5.1) USER MOD Set 1.2: A 21 SER OG : rot 77:sc= -1.85 USER MOD Set 2.1: A 2 GLN : amide:sc= -1.35 K(o=-1.7,f=-2.4!) USER MOD Set 2.2: A 4 ASN : amide:sc= -0.387 X(o=-1.7,f=-1.5) USER MOD Single : A 9 SER OG : rot 63:sc= 0.139 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= -1.36 K(o=-1.4,f=-0.46) USER MOD Single : A 16 GLN : amide:sc= -0.298 K(o=-0.3,f=-2.1!) USER MOD Single : A 17 TYR OH : rot -92:sc= -1.09 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 57:sc= 0.0655 USER MOD Single : A 38 ASN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 41 HIS : no HD1:sc= -0.226 X(o=-0.23,f=-0.02) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 GLN : amide:sc= -0.419 X(o=-0.42,f=-0.41) USER MOD Single : A 57 SER OG : rot -170:sc= -0.808 USER MOD Single : A 60 GLN : amide:sc= 0.204 X(o=0.2,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 160:sc= -0.0376 (180deg=-0.554) USER MOD Single : A 66 ASN : amide:sc= -0.259 X(o=-0.26,f=-0.02) USER MOD Single : A 67 ASN : amide:sc= -0.932 K(o=-0.93,f=-4.2!) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 81:sc= 1.25 USER MOD ----------------------------------------------------------------- ATOM 11 N GLN A 2 1.542 -1.713 -2.869 1.00 0.00 N ATOM 12 CA GLN A 2 1.606 -3.033 -3.486 1.00 0.00 C ATOM 13 C GLN A 2 3.043 -3.398 -3.844 1.00 0.00 C ATOM 14 O GLN A 2 3.699 -2.696 -4.614 1.00 0.00 O ATOM 15 CB GLN A 2 0.729 -3.076 -4.738 1.00 0.00 C ATOM 16 CG GLN A 2 0.806 -4.396 -5.489 1.00 0.00 C ATOM 17 CD GLN A 2 0.275 -5.561 -4.678 1.00 0.00 C ATOM 18 OE1 GLN A 2 -0.769 -5.459 -4.033 1.00 0.00 O ATOM 19 NE2 GLN A 2 0.993 -6.677 -4.705 1.00 0.00 N ATOM 0 HA GLN A 2 1.235 -3.762 -2.765 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -0.306 -2.889 -4.453 1.00 0.00 H new ATOM 0 HB3 GLN A 2 1.026 -2.269 -5.407 1.00 0.00 H new ATOM 0 HG2 GLN A 2 0.239 -4.316 -6.416 1.00 0.00 H new ATOM 0 HG3 GLN A 2 1.842 -4.593 -5.765 1.00 0.00 H new ATOM 0 HE21 GLN A 2 1.852 -6.717 -5.253 1.00 0.00 H new ATOM 0 HE22 GLN A 2 0.686 -7.494 -4.178 1.00 0.00 H new ATOM 28 N VAL A 3 3.527 -4.500 -3.280 1.00 0.00 N ATOM 29 CA VAL A 3 4.886 -4.959 -3.540 1.00 0.00 C ATOM 30 C VAL A 3 4.917 -6.458 -3.813 1.00 0.00 C ATOM 31 O VAL A 3 4.593 -7.265 -2.942 1.00 0.00 O ATOM 32 CB VAL A 3 5.821 -4.644 -2.357 1.00 0.00 C ATOM 33 CG1 VAL A 3 7.229 -5.142 -2.641 1.00 0.00 C ATOM 34 CG2 VAL A 3 5.824 -3.151 -2.063 1.00 0.00 C ATOM 0 H VAL A 3 2.998 -5.092 -2.640 1.00 0.00 H new ATOM 0 HA VAL A 3 5.237 -4.425 -4.423 1.00 0.00 H new ATOM 0 HB VAL A 3 5.449 -5.164 -1.475 1.00 0.00 H new ATOM 0 HG11 VAL A 3 7.875 -4.910 -1.794 1.00 0.00 H new ATOM 0 HG12 VAL A 3 7.209 -6.221 -2.798 1.00 0.00 H new ATOM 0 HG13 VAL A 3 7.614 -4.653 -3.536 1.00 0.00 H new ATOM 0 HG21 VAL A 3 6.490 -2.947 -1.224 1.00 0.00 H new ATOM 0 HG22 VAL A 3 6.170 -2.608 -2.942 1.00 0.00 H new ATOM 0 HG23 VAL A 3 4.814 -2.828 -1.811 1.00 0.00 H new ATOM 44 N ASN A 4 5.310 -6.824 -5.029 1.00 0.00 N ATOM 45 CA ASN A 4 5.384 -8.228 -5.418 1.00 0.00 C ATOM 46 C ASN A 4 6.816 -8.621 -5.768 1.00 0.00 C ATOM 47 O ASN A 4 7.374 -8.150 -6.760 1.00 0.00 O ATOM 48 CB ASN A 4 4.463 -8.498 -6.609 1.00 0.00 C ATOM 49 CG ASN A 4 4.535 -7.403 -7.655 1.00 0.00 C ATOM 50 OD1 ASN A 4 5.263 -7.518 -8.641 1.00 0.00 O ATOM 51 ND2 ASN A 4 3.778 -6.332 -7.445 1.00 0.00 N ATOM 0 H ASN A 4 5.582 -6.168 -5.762 1.00 0.00 H new ATOM 0 HA ASN A 4 5.058 -8.832 -4.571 1.00 0.00 H new ATOM 0 HB2 ASN A 4 4.733 -9.451 -7.065 1.00 0.00 H new ATOM 0 HB3 ASN A 4 3.436 -8.593 -6.256 1.00 0.00 H new ATOM 0 HD21 ASN A 4 3.785 -5.563 -8.115 1.00 0.00 H new ATOM 0 HD22 ASN A 4 3.189 -6.279 -6.614 1.00 0.00 H new ATOM 58 N ILE A 5 7.403 -9.486 -4.949 1.00 0.00 N ATOM 59 CA ILE A 5 8.769 -9.943 -5.173 1.00 0.00 C ATOM 60 C ILE A 5 8.833 -11.465 -5.253 1.00 0.00 C ATOM 61 O ILE A 5 8.197 -12.165 -4.466 1.00 0.00 O ATOM 62 CB ILE A 5 9.715 -9.458 -4.059 1.00 0.00 C ATOM 63 CG1 ILE A 5 9.686 -7.931 -3.964 1.00 0.00 C ATOM 64 CG2 ILE A 5 11.132 -9.951 -4.315 1.00 0.00 C ATOM 65 CD1 ILE A 5 10.087 -7.403 -2.604 1.00 0.00 C ATOM 0 H ILE A 5 6.954 -9.885 -4.124 1.00 0.00 H new ATOM 0 HA ILE A 5 9.092 -9.518 -6.123 1.00 0.00 H new ATOM 0 HB ILE A 5 9.374 -9.869 -3.109 1.00 0.00 H new ATOM 0 HG12 ILE A 5 10.355 -7.515 -4.718 1.00 0.00 H new ATOM 0 HG13 ILE A 5 8.682 -7.579 -4.200 1.00 0.00 H new ATOM 0 HG21 ILE A 5 11.789 -9.600 -3.519 1.00 0.00 H new ATOM 0 HG22 ILE A 5 11.140 -11.041 -4.338 1.00 0.00 H new ATOM 0 HG23 ILE A 5 11.484 -9.566 -5.272 1.00 0.00 H new ATOM 0 HD11 ILE A 5 10.044 -6.314 -2.609 1.00 0.00 H new ATOM 0 HD12 ILE A 5 9.404 -7.790 -1.848 1.00 0.00 H new ATOM 0 HD13 ILE A 5 11.103 -7.725 -2.374 1.00 0.00 H new ATOM 77 N ALA A 6 9.608 -11.970 -6.207 1.00 0.00 N ATOM 78 CA ALA A 6 9.759 -13.408 -6.387 1.00 0.00 C ATOM 79 C ALA A 6 10.885 -13.955 -5.517 1.00 0.00 C ATOM 80 O ALA A 6 11.996 -13.425 -5.491 1.00 0.00 O ATOM 81 CB ALA A 6 10.016 -13.733 -7.851 1.00 0.00 C ATOM 0 H ALA A 6 10.141 -11.404 -6.867 1.00 0.00 H new ATOM 0 HA ALA A 6 8.830 -13.887 -6.077 1.00 0.00 H new ATOM 0 HB1 ALA A 6 10.127 -14.811 -7.970 1.00 0.00 H new ATOM 0 HB2 ALA A 6 9.177 -13.385 -8.454 1.00 0.00 H new ATOM 0 HB3 ALA A 6 10.929 -13.236 -8.179 1.00 0.00 H new ATOM 87 N PRO A 7 10.594 -15.041 -4.785 1.00 0.00 N ATOM 88 CA PRO A 7 11.570 -15.683 -3.899 1.00 0.00 C ATOM 89 C PRO A 7 12.683 -16.382 -4.672 1.00 0.00 C ATOM 90 O PRO A 7 12.866 -16.146 -5.866 1.00 0.00 O ATOM 91 CB PRO A 7 10.731 -16.705 -3.129 1.00 0.00 C ATOM 92 CG PRO A 7 9.578 -17.002 -4.025 1.00 0.00 C ATOM 93 CD PRO A 7 9.291 -15.725 -4.766 1.00 0.00 C ATOM 0 HA PRO A 7 12.078 -14.960 -3.261 1.00 0.00 H new ATOM 0 HB2 PRO A 7 11.306 -17.605 -2.912 1.00 0.00 H new ATOM 0 HB3 PRO A 7 10.396 -16.302 -2.173 1.00 0.00 H new ATOM 0 HG2 PRO A 7 9.819 -17.809 -4.717 1.00 0.00 H new ATOM 0 HG3 PRO A 7 8.709 -17.324 -3.450 1.00 0.00 H new ATOM 0 HD2 PRO A 7 8.924 -15.919 -5.774 1.00 0.00 H new ATOM 0 HD3 PRO A 7 8.532 -15.129 -4.260 1.00 0.00 H new ATOM 101 N GLY A 8 13.424 -17.244 -3.984 1.00 0.00 N ATOM 102 CA GLY A 8 14.510 -17.965 -4.623 1.00 0.00 C ATOM 103 C GLY A 8 15.869 -17.383 -4.288 1.00 0.00 C ATOM 104 O GLY A 8 16.882 -17.784 -4.860 1.00 0.00 O ATOM 0 H GLY A 8 13.292 -17.456 -2.995 1.00 0.00 H new ATOM 0 HA2 GLY A 8 14.480 -19.010 -4.314 1.00 0.00 H new ATOM 0 HA3 GLY A 8 14.367 -17.948 -5.703 1.00 0.00 H new ATOM 108 N SER A 9 15.891 -16.433 -3.358 1.00 0.00 N ATOM 109 CA SER A 9 17.135 -15.791 -2.951 1.00 0.00 C ATOM 110 C SER A 9 16.875 -14.725 -1.891 1.00 0.00 C ATOM 111 O SER A 9 16.166 -13.748 -2.137 1.00 0.00 O ATOM 112 CB SER A 9 17.829 -15.164 -4.161 1.00 0.00 C ATOM 113 OG SER A 9 19.033 -15.845 -4.469 1.00 0.00 O ATOM 0 H SER A 9 15.062 -16.091 -2.873 1.00 0.00 H new ATOM 0 HA SER A 9 17.785 -16.554 -2.522 1.00 0.00 H new ATOM 0 HB2 SER A 9 17.161 -15.192 -5.022 1.00 0.00 H new ATOM 0 HB3 SER A 9 18.043 -14.115 -3.958 1.00 0.00 H new ATOM 0 HG SER A 9 18.830 -16.769 -4.725 1.00 0.00 H new ATOM 119 N LEU A 10 17.453 -14.919 -0.711 1.00 0.00 N ATOM 120 CA LEU A 10 17.284 -13.975 0.388 1.00 0.00 C ATOM 121 C LEU A 10 17.923 -12.631 0.054 1.00 0.00 C ATOM 122 O LEU A 10 17.306 -11.579 0.228 1.00 0.00 O ATOM 123 CB LEU A 10 17.899 -14.540 1.670 1.00 0.00 C ATOM 124 CG LEU A 10 17.477 -13.861 2.973 1.00 0.00 C ATOM 125 CD1 LEU A 10 17.770 -14.760 4.164 1.00 0.00 C ATOM 126 CD2 LEU A 10 18.182 -12.521 3.129 1.00 0.00 C ATOM 0 H LEU A 10 18.043 -15.721 -0.491 1.00 0.00 H new ATOM 0 HA LEU A 10 16.216 -13.821 0.541 1.00 0.00 H new ATOM 0 HB2 LEU A 10 17.644 -15.598 1.736 1.00 0.00 H new ATOM 0 HB3 LEU A 10 18.984 -14.478 1.586 1.00 0.00 H new ATOM 0 HG LEU A 10 16.402 -13.682 2.935 1.00 0.00 H new ATOM 0 HD11 LEU A 10 17.463 -14.259 5.082 1.00 0.00 H new ATOM 0 HD12 LEU A 10 17.219 -15.695 4.059 1.00 0.00 H new ATOM 0 HD13 LEU A 10 18.838 -14.971 4.206 1.00 0.00 H new ATOM 0 HD21 LEU A 10 17.870 -12.052 4.062 1.00 0.00 H new ATOM 0 HD22 LEU A 10 19.261 -12.677 3.145 1.00 0.00 H new ATOM 0 HD23 LEU A 10 17.921 -11.873 2.292 1.00 0.00 H new ATOM 138 N ASP A 11 19.160 -12.673 -0.428 1.00 0.00 N ATOM 139 CA ASP A 11 19.881 -11.458 -0.790 1.00 0.00 C ATOM 140 C ASP A 11 19.093 -10.642 -1.811 1.00 0.00 C ATOM 141 O ASP A 11 19.003 -9.419 -1.708 1.00 0.00 O ATOM 142 CB ASP A 11 21.260 -11.806 -1.352 1.00 0.00 C ATOM 143 CG ASP A 11 21.841 -10.687 -2.194 1.00 0.00 C ATOM 144 OD1 ASP A 11 22.088 -9.595 -1.641 1.00 0.00 O ATOM 145 OD2 ASP A 11 22.051 -10.905 -3.405 1.00 0.00 O ATOM 0 H ASP A 11 19.685 -13.535 -0.577 1.00 0.00 H new ATOM 0 HA ASP A 11 20.005 -10.857 0.111 1.00 0.00 H new ATOM 0 HB2 ASP A 11 21.939 -12.028 -0.529 1.00 0.00 H new ATOM 0 HB3 ASP A 11 21.185 -12.710 -1.956 1.00 0.00 H new ATOM 150 N LYS A 12 18.524 -11.328 -2.796 1.00 0.00 N ATOM 151 CA LYS A 12 17.744 -10.669 -3.837 1.00 0.00 C ATOM 152 C LYS A 12 16.473 -10.055 -3.257 1.00 0.00 C ATOM 153 O LYS A 12 16.230 -8.857 -3.400 1.00 0.00 O ATOM 154 CB LYS A 12 17.383 -11.665 -4.941 1.00 0.00 C ATOM 155 CG LYS A 12 18.568 -12.082 -5.794 1.00 0.00 C ATOM 156 CD LYS A 12 18.206 -12.123 -7.270 1.00 0.00 C ATOM 157 CE LYS A 12 17.991 -10.726 -7.830 1.00 0.00 C ATOM 158 NZ LYS A 12 17.726 -10.750 -9.295 1.00 0.00 N ATOM 0 H LYS A 12 18.588 -12.341 -2.895 1.00 0.00 H new ATOM 0 HA LYS A 12 18.353 -9.871 -4.262 1.00 0.00 H new ATOM 0 HB2 LYS A 12 16.942 -12.553 -4.488 1.00 0.00 H new ATOM 0 HB3 LYS A 12 16.621 -11.223 -5.583 1.00 0.00 H new ATOM 0 HG2 LYS A 12 19.392 -11.385 -5.640 1.00 0.00 H new ATOM 0 HG3 LYS A 12 18.918 -13.064 -5.477 1.00 0.00 H new ATOM 0 HD2 LYS A 12 19.000 -12.621 -7.827 1.00 0.00 H new ATOM 0 HD3 LYS A 12 17.301 -12.715 -7.407 1.00 0.00 H new ATOM 0 HE2 LYS A 12 17.153 -10.254 -7.317 1.00 0.00 H new ATOM 0 HE3 LYS A 12 18.871 -10.115 -7.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 17.585 -9.778 -9.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 18.536 -11.177 -9.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 16.871 -11.311 -9.484 1.00 0.00 H new ATOM 172 N ALA A 13 15.667 -10.883 -2.600 1.00 0.00 N ATOM 173 CA ALA A 13 14.424 -10.420 -1.996 1.00 0.00 C ATOM 174 C ALA A 13 14.664 -9.199 -1.115 1.00 0.00 C ATOM 175 O ALA A 13 13.769 -8.374 -0.922 1.00 0.00 O ATOM 176 CB ALA A 13 13.782 -11.538 -1.188 1.00 0.00 C ATOM 0 H ALA A 13 15.853 -11.878 -2.473 1.00 0.00 H new ATOM 0 HA ALA A 13 13.745 -10.130 -2.798 1.00 0.00 H new ATOM 0 HB1 ALA A 13 12.854 -11.178 -0.742 1.00 0.00 H new ATOM 0 HB2 ALA A 13 13.567 -12.383 -1.843 1.00 0.00 H new ATOM 0 HB3 ALA A 13 14.464 -11.855 -0.399 1.00 0.00 H new ATOM 182 N LEU A 14 15.875 -9.089 -0.581 1.00 0.00 N ATOM 183 CA LEU A 14 16.232 -7.968 0.281 1.00 0.00 C ATOM 184 C LEU A 14 16.336 -6.675 -0.522 1.00 0.00 C ATOM 185 O LEU A 14 15.692 -5.678 -0.198 1.00 0.00 O ATOM 186 CB LEU A 14 17.557 -8.247 0.993 1.00 0.00 C ATOM 187 CG LEU A 14 18.409 -7.024 1.331 1.00 0.00 C ATOM 188 CD1 LEU A 14 17.662 -6.098 2.278 1.00 0.00 C ATOM 189 CD2 LEU A 14 19.738 -7.450 1.937 1.00 0.00 C ATOM 0 H LEU A 14 16.626 -9.762 -0.730 1.00 0.00 H new ATOM 0 HA LEU A 14 15.445 -7.850 1.025 1.00 0.00 H new ATOM 0 HB2 LEU A 14 17.343 -8.783 1.918 1.00 0.00 H new ATOM 0 HB3 LEU A 14 18.149 -8.915 0.367 1.00 0.00 H new ATOM 0 HG LEU A 14 18.611 -6.480 0.408 1.00 0.00 H new ATOM 0 HD11 LEU A 14 18.284 -5.233 2.507 1.00 0.00 H new ATOM 0 HD12 LEU A 14 16.737 -5.765 1.807 1.00 0.00 H new ATOM 0 HD13 LEU A 14 17.428 -6.631 3.199 1.00 0.00 H new ATOM 0 HD21 LEU A 14 20.331 -6.566 2.171 1.00 0.00 H new ATOM 0 HD22 LEU A 14 19.556 -8.017 2.850 1.00 0.00 H new ATOM 0 HD23 LEU A 14 20.280 -8.072 1.225 1.00 0.00 H new ATOM 201 N ASN A 15 17.151 -6.700 -1.572 1.00 0.00 N ATOM 202 CA ASN A 15 17.338 -5.531 -2.423 1.00 0.00 C ATOM 203 C ASN A 15 16.032 -5.144 -3.109 1.00 0.00 C ATOM 204 O ASN A 15 15.781 -3.967 -3.368 1.00 0.00 O ATOM 205 CB ASN A 15 18.417 -5.805 -3.472 1.00 0.00 C ATOM 206 CG ASN A 15 17.832 -6.104 -4.839 1.00 0.00 C ATOM 207 OD1 ASN A 15 17.613 -5.200 -5.644 1.00 0.00 O ATOM 208 ND2 ASN A 15 17.575 -7.380 -5.106 1.00 0.00 N ATOM 0 H ASN A 15 17.692 -7.517 -1.854 1.00 0.00 H new ATOM 0 HA ASN A 15 17.657 -4.701 -1.793 1.00 0.00 H new ATOM 0 HB2 ASN A 15 19.078 -4.941 -3.544 1.00 0.00 H new ATOM 0 HB3 ASN A 15 19.028 -6.648 -3.149 1.00 0.00 H new ATOM 0 HD21 ASN A 15 17.180 -7.643 -6.009 1.00 0.00 H new ATOM 0 HD22 ASN A 15 17.773 -8.097 -4.408 1.00 0.00 H new ATOM 215 N GLN A 16 15.204 -6.142 -3.401 1.00 0.00 N ATOM 216 CA GLN A 16 13.924 -5.905 -4.058 1.00 0.00 C ATOM 217 C GLN A 16 13.038 -4.996 -3.212 1.00 0.00 C ATOM 218 O GLN A 16 12.591 -3.945 -3.672 1.00 0.00 O ATOM 219 CB GLN A 16 13.209 -7.232 -4.322 1.00 0.00 C ATOM 220 CG GLN A 16 14.031 -8.213 -5.141 1.00 0.00 C ATOM 221 CD GLN A 16 13.576 -8.292 -6.585 1.00 0.00 C ATOM 222 OE1 GLN A 16 12.748 -7.498 -7.032 1.00 0.00 O ATOM 223 NE2 GLN A 16 14.117 -9.253 -7.325 1.00 0.00 N ATOM 0 H GLN A 16 15.397 -7.122 -3.193 1.00 0.00 H new ATOM 0 HA GLN A 16 14.118 -5.409 -5.009 1.00 0.00 H new ATOM 0 HB2 GLN A 16 12.953 -7.693 -3.368 1.00 0.00 H new ATOM 0 HB3 GLN A 16 12.272 -7.033 -4.842 1.00 0.00 H new ATOM 0 HG2 GLN A 16 15.080 -7.917 -5.110 1.00 0.00 H new ATOM 0 HG3 GLN A 16 13.966 -9.203 -4.689 1.00 0.00 H new ATOM 0 HE21 GLN A 16 14.800 -9.890 -6.914 1.00 0.00 H new ATOM 0 HE22 GLN A 16 13.850 -9.354 -8.304 1.00 0.00 H new ATOM 232 N TYR A 17 12.788 -5.408 -1.974 1.00 0.00 N ATOM 233 CA TYR A 17 11.952 -4.633 -1.065 1.00 0.00 C ATOM 234 C TYR A 17 12.692 -3.393 -0.570 1.00 0.00 C ATOM 235 O TYR A 17 12.097 -2.330 -0.398 1.00 0.00 O ATOM 236 CB TYR A 17 11.522 -5.492 0.125 1.00 0.00 C ATOM 237 CG TYR A 17 12.419 -5.346 1.334 1.00 0.00 C ATOM 238 CD1 TYR A 17 12.170 -4.374 2.295 1.00 0.00 C ATOM 239 CD2 TYR A 17 13.515 -6.181 1.515 1.00 0.00 C ATOM 240 CE1 TYR A 17 12.987 -4.237 3.400 1.00 0.00 C ATOM 241 CE2 TYR A 17 14.336 -6.052 2.618 1.00 0.00 C ATOM 242 CZ TYR A 17 14.068 -5.078 3.557 1.00 0.00 C ATOM 243 OH TYR A 17 14.884 -4.945 4.658 1.00 0.00 O ATOM 0 H TYR A 17 13.152 -6.274 -1.577 1.00 0.00 H new ATOM 0 HA TYR A 17 11.065 -4.312 -1.612 1.00 0.00 H new ATOM 0 HB2 TYR A 17 10.503 -5.225 0.405 1.00 0.00 H new ATOM 0 HB3 TYR A 17 11.505 -6.538 -0.180 1.00 0.00 H new ATOM 0 HD1 TYR A 17 11.323 -3.714 2.176 1.00 0.00 H new ATOM 0 HD2 TYR A 17 13.728 -6.944 0.781 1.00 0.00 H new ATOM 0 HE1 TYR A 17 12.780 -3.475 4.137 1.00 0.00 H new ATOM 0 HE2 TYR A 17 15.183 -6.710 2.745 1.00 0.00 H new ATOM 0 HH TYR A 17 15.627 -4.343 4.444 1.00 0.00 H new ATOM 253 N ALA A 18 13.993 -3.539 -0.343 1.00 0.00 N ATOM 254 CA ALA A 18 14.815 -2.433 0.129 1.00 0.00 C ATOM 255 C ALA A 18 14.797 -1.273 -0.861 1.00 0.00 C ATOM 256 O ALA A 18 14.882 -0.109 -0.471 1.00 0.00 O ATOM 257 CB ALA A 18 16.243 -2.901 0.370 1.00 0.00 C ATOM 0 H ALA A 18 14.500 -4.413 -0.479 1.00 0.00 H new ATOM 0 HA ALA A 18 14.396 -2.079 1.071 1.00 0.00 H new ATOM 0 HB1 ALA A 18 16.846 -2.064 0.722 1.00 0.00 H new ATOM 0 HB2 ALA A 18 16.245 -3.691 1.121 1.00 0.00 H new ATOM 0 HB3 ALA A 18 16.662 -3.284 -0.560 1.00 0.00 H new ATOM 263 N ALA A 19 14.686 -1.599 -2.145 1.00 0.00 N ATOM 264 CA ALA A 19 14.656 -0.585 -3.191 1.00 0.00 C ATOM 265 C ALA A 19 13.283 0.072 -3.279 1.00 0.00 C ATOM 266 O ALA A 19 13.164 1.239 -3.654 1.00 0.00 O ATOM 267 CB ALA A 19 15.037 -1.197 -4.531 1.00 0.00 C ATOM 0 H ALA A 19 14.615 -2.558 -2.485 1.00 0.00 H new ATOM 0 HA ALA A 19 15.383 0.186 -2.936 1.00 0.00 H new ATOM 0 HB1 ALA A 19 15.010 -0.428 -5.303 1.00 0.00 H new ATOM 0 HB2 ALA A 19 16.042 -1.613 -4.468 1.00 0.00 H new ATOM 0 HB3 ALA A 19 14.332 -1.989 -4.783 1.00 0.00 H new ATOM 273 N HIS A 20 12.246 -0.684 -2.930 1.00 0.00 N ATOM 274 CA HIS A 20 10.880 -0.174 -2.970 1.00 0.00 C ATOM 275 C HIS A 20 10.605 0.734 -1.775 1.00 0.00 C ATOM 276 O HIS A 20 9.759 1.625 -1.843 1.00 0.00 O ATOM 277 CB HIS A 20 9.882 -1.332 -2.986 1.00 0.00 C ATOM 278 CG HIS A 20 9.083 -1.452 -1.725 1.00 0.00 C ATOM 279 ND1 HIS A 20 7.997 -0.649 -1.443 1.00 0.00 N ATOM 280 CD2 HIS A 20 9.215 -2.288 -0.668 1.00 0.00 C ATOM 281 CE1 HIS A 20 7.498 -0.985 -0.267 1.00 0.00 C ATOM 282 NE2 HIS A 20 8.219 -1.978 0.224 1.00 0.00 N ATOM 0 H HIS A 20 12.326 -1.651 -2.617 1.00 0.00 H new ATOM 0 HA HIS A 20 10.762 0.410 -3.883 1.00 0.00 H new ATOM 0 HB2 HIS A 20 9.201 -1.202 -3.827 1.00 0.00 H new ATOM 0 HB3 HIS A 20 10.422 -2.264 -3.154 1.00 0.00 H new ATOM 0 HD2 HIS A 20 9.965 -3.056 -0.549 1.00 0.00 H new ATOM 0 HE1 HIS A 20 6.646 -0.526 0.212 1.00 0.00 H new ATOM 0 HE2 HIS A 20 8.061 -2.439 1.120 1.00 0.00 H new ATOM 290 N SER A 21 11.324 0.501 -0.682 1.00 0.00 N ATOM 291 CA SER A 21 11.153 1.295 0.529 1.00 0.00 C ATOM 292 C SER A 21 11.963 2.586 0.451 1.00 0.00 C ATOM 293 O SER A 21 11.421 3.681 0.589 1.00 0.00 O ATOM 294 CB SER A 21 11.577 0.488 1.758 1.00 0.00 C ATOM 295 OG SER A 21 10.692 -0.595 1.987 1.00 0.00 O ATOM 0 H SER A 21 12.031 -0.231 -0.610 1.00 0.00 H new ATOM 0 HA SER A 21 10.098 1.553 0.618 1.00 0.00 H new ATOM 0 HB2 SER A 21 12.590 0.111 1.617 1.00 0.00 H new ATOM 0 HB3 SER A 21 11.597 1.137 2.634 1.00 0.00 H new ATOM 0 HG SER A 21 10.885 -1.315 1.351 1.00 0.00 H new ATOM 301 N GLY A 22 13.266 2.447 0.227 1.00 0.00 N ATOM 302 CA GLY A 22 14.131 3.609 0.134 1.00 0.00 C ATOM 303 C GLY A 22 14.934 3.837 1.399 1.00 0.00 C ATOM 304 O GLY A 22 15.361 4.957 1.679 1.00 0.00 O ATOM 0 H GLY A 22 13.738 1.551 0.108 1.00 0.00 H new ATOM 0 HA2 GLY A 22 14.812 3.484 -0.708 1.00 0.00 H new ATOM 0 HA3 GLY A 22 13.527 4.492 -0.073 1.00 0.00 H new ATOM 308 N PHE A 23 15.140 2.772 2.167 1.00 0.00 N ATOM 309 CA PHE A 23 15.895 2.861 3.412 1.00 0.00 C ATOM 310 C PHE A 23 17.096 1.920 3.388 1.00 0.00 C ATOM 311 O PHE A 23 17.233 1.092 2.487 1.00 0.00 O ATOM 312 CB PHE A 23 14.996 2.529 4.604 1.00 0.00 C ATOM 313 CG PHE A 23 14.863 1.055 4.862 1.00 0.00 C ATOM 314 CD1 PHE A 23 14.218 0.234 3.951 1.00 0.00 C ATOM 315 CD2 PHE A 23 15.384 0.490 6.015 1.00 0.00 C ATOM 316 CE1 PHE A 23 14.093 -1.122 4.186 1.00 0.00 C ATOM 317 CE2 PHE A 23 15.263 -0.866 6.255 1.00 0.00 C ATOM 318 CZ PHE A 23 14.618 -1.673 5.339 1.00 0.00 C ATOM 0 H PHE A 23 14.795 1.837 1.949 1.00 0.00 H new ATOM 0 HA PHE A 23 16.259 3.883 3.515 1.00 0.00 H new ATOM 0 HB2 PHE A 23 15.396 3.011 5.496 1.00 0.00 H new ATOM 0 HB3 PHE A 23 14.006 2.950 4.431 1.00 0.00 H new ATOM 0 HD1 PHE A 23 13.808 0.659 3.047 1.00 0.00 H new ATOM 0 HD2 PHE A 23 15.890 1.116 6.734 1.00 0.00 H new ATOM 0 HE1 PHE A 23 13.585 -1.750 3.469 1.00 0.00 H new ATOM 0 HE2 PHE A 23 15.673 -1.294 7.158 1.00 0.00 H new ATOM 0 HZ PHE A 23 14.524 -2.733 5.523 1.00 0.00 H new ATOM 328 N THR A 24 17.965 2.054 4.385 1.00 0.00 N ATOM 329 CA THR A 24 19.156 1.219 4.478 1.00 0.00 C ATOM 330 C THR A 24 18.967 0.105 5.503 1.00 0.00 C ATOM 331 O THR A 24 18.271 0.281 6.504 1.00 0.00 O ATOM 332 CB THR A 24 20.396 2.048 4.862 1.00 0.00 C ATOM 333 OG1 THR A 24 20.535 3.161 3.971 1.00 0.00 O ATOM 334 CG2 THR A 24 21.653 1.194 4.815 1.00 0.00 C ATOM 0 H THR A 24 17.866 2.733 5.140 1.00 0.00 H new ATOM 0 HA THR A 24 19.312 0.781 3.492 1.00 0.00 H new ATOM 0 HB THR A 24 20.262 2.413 5.880 1.00 0.00 H new ATOM 0 HG1 THR A 24 21.324 3.685 4.222 1.00 0.00 H new ATOM 0 HG21 THR A 24 22.516 1.801 5.090 1.00 0.00 H new ATOM 0 HG22 THR A 24 21.555 0.364 5.515 1.00 0.00 H new ATOM 0 HG23 THR A 24 21.790 0.804 3.806 1.00 0.00 H new ATOM 342 N LEU A 25 19.590 -1.039 5.247 1.00 0.00 N ATOM 343 CA LEU A 25 19.491 -2.182 6.148 1.00 0.00 C ATOM 344 C LEU A 25 20.843 -2.871 6.304 1.00 0.00 C ATOM 345 O LEU A 25 21.522 -3.158 5.318 1.00 0.00 O ATOM 346 CB LEU A 25 18.455 -3.180 5.626 1.00 0.00 C ATOM 347 CG LEU A 25 18.118 -4.346 6.556 1.00 0.00 C ATOM 348 CD1 LEU A 25 16.789 -4.104 7.256 1.00 0.00 C ATOM 349 CD2 LEU A 25 18.083 -5.654 5.780 1.00 0.00 C ATOM 0 H LEU A 25 20.169 -1.200 4.423 1.00 0.00 H new ATOM 0 HA LEU A 25 19.175 -1.817 7.125 1.00 0.00 H new ATOM 0 HB2 LEU A 25 17.535 -2.638 5.408 1.00 0.00 H new ATOM 0 HB3 LEU A 25 18.816 -3.587 4.682 1.00 0.00 H new ATOM 0 HG LEU A 25 18.897 -4.417 7.315 1.00 0.00 H new ATOM 0 HD11 LEU A 25 16.566 -4.944 7.914 1.00 0.00 H new ATOM 0 HD12 LEU A 25 16.849 -3.189 7.845 1.00 0.00 H new ATOM 0 HD13 LEU A 25 15.999 -4.006 6.512 1.00 0.00 H new ATOM 0 HD21 LEU A 25 17.842 -6.473 6.458 1.00 0.00 H new ATOM 0 HD22 LEU A 25 17.325 -5.594 4.999 1.00 0.00 H new ATOM 0 HD23 LEU A 25 19.058 -5.834 5.326 1.00 0.00 H new ATOM 361 N SER A 26 21.226 -3.136 7.549 1.00 0.00 N ATOM 362 CA SER A 26 22.497 -3.790 7.835 1.00 0.00 C ATOM 363 C SER A 26 22.275 -5.125 8.539 1.00 0.00 C ATOM 364 O SER A 26 21.981 -5.169 9.733 1.00 0.00 O ATOM 365 CB SER A 26 23.378 -2.885 8.699 1.00 0.00 C ATOM 366 OG SER A 26 24.612 -2.612 8.059 1.00 0.00 O ATOM 0 H SER A 26 20.674 -2.908 8.376 1.00 0.00 H new ATOM 0 HA SER A 26 23.001 -3.978 6.887 1.00 0.00 H new ATOM 0 HB2 SER A 26 22.856 -1.950 8.902 1.00 0.00 H new ATOM 0 HB3 SER A 26 23.562 -3.363 9.661 1.00 0.00 H new ATOM 0 HG SER A 26 25.156 -2.031 8.631 1.00 0.00 H new ATOM 372 N VAL A 27 22.419 -6.213 7.789 1.00 0.00 N ATOM 373 CA VAL A 27 22.235 -7.551 8.340 1.00 0.00 C ATOM 374 C VAL A 27 23.391 -8.467 7.956 1.00 0.00 C ATOM 375 O VAL A 27 23.863 -8.445 6.818 1.00 0.00 O ATOM 376 CB VAL A 27 20.914 -8.180 7.858 1.00 0.00 C ATOM 377 CG1 VAL A 27 20.786 -8.062 6.347 1.00 0.00 C ATOM 378 CG2 VAL A 27 20.826 -9.634 8.297 1.00 0.00 C ATOM 0 H VAL A 27 22.662 -6.194 6.799 1.00 0.00 H new ATOM 0 HA VAL A 27 22.204 -7.445 9.424 1.00 0.00 H new ATOM 0 HB VAL A 27 20.086 -7.636 8.312 1.00 0.00 H new ATOM 0 HG11 VAL A 27 19.847 -8.512 6.025 1.00 0.00 H new ATOM 0 HG12 VAL A 27 20.801 -7.010 6.062 1.00 0.00 H new ATOM 0 HG13 VAL A 27 21.618 -8.579 5.870 1.00 0.00 H new ATOM 0 HG21 VAL A 27 19.887 -10.063 7.948 1.00 0.00 H new ATOM 0 HG22 VAL A 27 21.660 -10.193 7.873 1.00 0.00 H new ATOM 0 HG23 VAL A 27 20.868 -9.689 9.385 1.00 0.00 H new ATOM 388 N ASP A 28 23.844 -9.271 8.911 1.00 0.00 N ATOM 389 CA ASP A 28 24.945 -10.197 8.673 1.00 0.00 C ATOM 390 C ASP A 28 24.611 -11.157 7.535 1.00 0.00 C ATOM 391 O ASP A 28 23.930 -12.162 7.737 1.00 0.00 O ATOM 392 CB ASP A 28 25.262 -10.985 9.945 1.00 0.00 C ATOM 393 CG ASP A 28 25.975 -10.143 10.984 1.00 0.00 C ATOM 394 OD1 ASP A 28 27.171 -9.843 10.785 1.00 0.00 O ATOM 395 OD2 ASP A 28 25.338 -9.785 11.997 1.00 0.00 O ATOM 0 H ASP A 28 23.466 -9.300 9.858 1.00 0.00 H new ATOM 0 HA ASP A 28 25.821 -9.615 8.388 1.00 0.00 H new ATOM 0 HB2 ASP A 28 24.336 -11.373 10.369 1.00 0.00 H new ATOM 0 HB3 ASP A 28 25.881 -11.845 9.691 1.00 0.00 H new ATOM 524 N SER A 37 14.586 -16.674 0.944 1.00 0.00 N ATOM 525 CA SER A 37 13.534 -16.042 1.731 1.00 0.00 C ATOM 526 C SER A 37 12.232 -15.970 0.939 1.00 0.00 C ATOM 527 O SER A 37 12.232 -16.068 -0.287 1.00 0.00 O ATOM 528 CB SER A 37 13.963 -14.637 2.159 1.00 0.00 C ATOM 529 OG SER A 37 12.851 -13.878 2.603 1.00 0.00 O ATOM 0 HA SER A 37 13.364 -16.649 2.620 1.00 0.00 H new ATOM 0 HB2 SER A 37 14.702 -14.706 2.957 1.00 0.00 H new ATOM 0 HB3 SER A 37 14.443 -14.129 1.323 1.00 0.00 H new ATOM 0 HG SER A 37 12.402 -14.352 3.333 1.00 0.00 H new ATOM 535 N ASN A 38 11.123 -15.798 1.651 1.00 0.00 N ATOM 536 CA ASN A 38 9.813 -15.713 1.016 1.00 0.00 C ATOM 537 C ASN A 38 9.564 -14.311 0.468 1.00 0.00 C ATOM 538 O ASN A 38 9.677 -13.321 1.190 1.00 0.00 O ATOM 539 CB ASN A 38 8.714 -16.085 2.014 1.00 0.00 C ATOM 540 CG ASN A 38 8.993 -17.398 2.718 1.00 0.00 C ATOM 541 OD1 ASN A 38 9.781 -17.453 3.663 1.00 0.00 O ATOM 542 ND2 ASN A 38 8.347 -18.464 2.261 1.00 0.00 N ATOM 0 H ASN A 38 11.105 -15.715 2.667 1.00 0.00 H new ATOM 0 HA ASN A 38 9.794 -16.418 0.185 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.617 -15.292 2.755 1.00 0.00 H new ATOM 0 HB3 ASN A 38 7.760 -16.152 1.491 1.00 0.00 H new ATOM 0 HD21 ASN A 38 8.495 -19.375 2.696 1.00 0.00 H new ATOM 0 HD22 ASN A 38 7.703 -18.372 1.475 1.00 0.00 H new ATOM 549 N GLY A 39 9.223 -14.235 -0.816 1.00 0.00 N ATOM 550 CA GLY A 39 8.963 -12.951 -1.439 1.00 0.00 C ATOM 551 C GLY A 39 7.746 -12.260 -0.858 1.00 0.00 C ATOM 552 O GLY A 39 7.100 -12.784 0.051 1.00 0.00 O ATOM 0 H GLY A 39 9.123 -15.040 -1.435 1.00 0.00 H new ATOM 0 HA2 GLY A 39 9.835 -12.308 -1.317 1.00 0.00 H new ATOM 0 HA3 GLY A 39 8.819 -13.093 -2.510 1.00 0.00 H new ATOM 556 N LEU A 40 7.432 -11.079 -1.380 1.00 0.00 N ATOM 557 CA LEU A 40 6.284 -10.314 -0.905 1.00 0.00 C ATOM 558 C LEU A 40 5.158 -10.326 -1.934 1.00 0.00 C ATOM 559 O LEU A 40 5.391 -10.555 -3.122 1.00 0.00 O ATOM 560 CB LEU A 40 6.697 -8.872 -0.603 1.00 0.00 C ATOM 561 CG LEU A 40 5.697 -8.042 0.202 1.00 0.00 C ATOM 562 CD1 LEU A 40 5.351 -8.741 1.507 1.00 0.00 C ATOM 563 CD2 LEU A 40 6.252 -6.651 0.471 1.00 0.00 C ATOM 0 H LEU A 40 7.956 -10.631 -2.132 1.00 0.00 H new ATOM 0 HA LEU A 40 5.921 -10.782 0.010 1.00 0.00 H new ATOM 0 HB2 LEU A 40 7.642 -8.892 -0.060 1.00 0.00 H new ATOM 0 HB3 LEU A 40 6.883 -8.363 -1.549 1.00 0.00 H new ATOM 0 HG LEU A 40 4.784 -7.940 -0.385 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.638 -8.135 2.066 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.910 -9.715 1.293 1.00 0.00 H new ATOM 0 HD13 LEU A 40 6.256 -8.875 2.099 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.527 -6.075 1.045 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.180 -6.733 1.037 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.448 -6.148 -0.476 1.00 0.00 H new ATOM 575 N HIS A 41 3.937 -10.078 -1.471 1.00 0.00 N ATOM 576 CA HIS A 41 2.775 -10.058 -2.352 1.00 0.00 C ATOM 577 C HIS A 41 1.612 -9.316 -1.700 1.00 0.00 C ATOM 578 O HIS A 41 0.918 -9.860 -0.843 1.00 0.00 O ATOM 579 CB HIS A 41 2.351 -11.484 -2.705 1.00 0.00 C ATOM 580 CG HIS A 41 2.127 -11.697 -4.170 1.00 0.00 C ATOM 581 ND1 HIS A 41 1.065 -12.418 -4.672 1.00 0.00 N ATOM 582 CD2 HIS A 41 2.836 -11.276 -5.245 1.00 0.00 C ATOM 583 CE1 HIS A 41 1.130 -12.434 -5.992 1.00 0.00 C ATOM 584 NE2 HIS A 41 2.195 -11.748 -6.364 1.00 0.00 N ATOM 0 H HIS A 41 3.727 -9.888 -0.491 1.00 0.00 H new ATOM 0 HA HIS A 41 3.052 -9.533 -3.266 1.00 0.00 H new ATOM 0 HB2 HIS A 41 3.116 -12.178 -2.358 1.00 0.00 H new ATOM 0 HB3 HIS A 41 1.434 -11.725 -2.167 1.00 0.00 H new ATOM 0 HD2 HIS A 41 3.737 -10.681 -5.226 1.00 0.00 H new ATOM 0 HE1 HIS A 41 0.431 -12.925 -6.653 1.00 0.00 H new ATOM 0 HE2 HIS A 41 2.493 -11.594 -7.327 1.00 0.00 H new ATOM 592 N GLY A 42 1.406 -8.068 -2.112 1.00 0.00 N ATOM 593 CA GLY A 42 0.327 -7.272 -1.557 1.00 0.00 C ATOM 594 C GLY A 42 0.785 -5.891 -1.134 1.00 0.00 C ATOM 595 O GLY A 42 1.958 -5.547 -1.278 1.00 0.00 O ATOM 0 H GLY A 42 1.967 -7.595 -2.820 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -0.468 -7.177 -2.297 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.098 -7.790 -0.697 1.00 0.00 H new ATOM 599 N ASP A 43 -0.143 -5.096 -0.611 1.00 0.00 N ATOM 600 CA ASP A 43 0.171 -3.743 -0.166 1.00 0.00 C ATOM 601 C ASP A 43 0.791 -3.760 1.228 1.00 0.00 C ATOM 602 O ASP A 43 0.093 -3.940 2.226 1.00 0.00 O ATOM 603 CB ASP A 43 -1.090 -2.878 -0.167 1.00 0.00 C ATOM 604 CG ASP A 43 -2.243 -3.533 0.567 1.00 0.00 C ATOM 605 OD1 ASP A 43 -2.855 -4.463 0.001 1.00 0.00 O ATOM 606 OD2 ASP A 43 -2.532 -3.117 1.708 1.00 0.00 O ATOM 0 H ASP A 43 -1.119 -5.365 -0.485 1.00 0.00 H new ATOM 0 HA ASP A 43 0.895 -3.317 -0.861 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -0.868 -1.917 0.296 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -1.387 -2.675 -1.196 1.00 0.00 H new ATOM 611 N TYR A 44 2.105 -3.573 1.288 1.00 0.00 N ATOM 612 CA TYR A 44 2.819 -3.571 2.559 1.00 0.00 C ATOM 613 C TYR A 44 3.894 -2.488 2.577 1.00 0.00 C ATOM 614 O TYR A 44 4.674 -2.356 1.634 1.00 0.00 O ATOM 615 CB TYR A 44 3.453 -4.939 2.815 1.00 0.00 C ATOM 616 CG TYR A 44 2.450 -6.069 2.874 1.00 0.00 C ATOM 617 CD1 TYR A 44 1.574 -6.192 3.946 1.00 0.00 C ATOM 618 CD2 TYR A 44 2.378 -7.014 1.858 1.00 0.00 C ATOM 619 CE1 TYR A 44 0.657 -7.223 4.004 1.00 0.00 C ATOM 620 CE2 TYR A 44 1.463 -8.048 1.907 1.00 0.00 C ATOM 621 CZ TYR A 44 0.605 -8.148 2.982 1.00 0.00 C ATOM 622 OH TYR A 44 -0.308 -9.177 3.036 1.00 0.00 O ATOM 0 H TYR A 44 2.697 -3.421 0.471 1.00 0.00 H new ATOM 0 HA TYR A 44 2.100 -3.358 3.350 1.00 0.00 H new ATOM 0 HB2 TYR A 44 4.177 -5.148 2.028 1.00 0.00 H new ATOM 0 HB3 TYR A 44 4.005 -4.904 3.754 1.00 0.00 H new ATOM 0 HD1 TYR A 44 1.611 -5.469 4.747 1.00 0.00 H new ATOM 0 HD2 TYR A 44 3.049 -6.939 1.015 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -0.016 -7.305 4.845 1.00 0.00 H new ATOM 0 HE2 TYR A 44 1.420 -8.774 1.108 1.00 0.00 H new ATOM 0 HH TYR A 44 -0.215 -9.739 2.239 1.00 0.00 H new ATOM 632 N ASP A 45 3.929 -1.717 3.658 1.00 0.00 N ATOM 633 CA ASP A 45 4.908 -0.646 3.802 1.00 0.00 C ATOM 634 C ASP A 45 6.319 -1.214 3.929 1.00 0.00 C ATOM 635 O ASP A 45 6.526 -2.422 3.812 1.00 0.00 O ATOM 636 CB ASP A 45 4.580 0.214 5.023 1.00 0.00 C ATOM 637 CG ASP A 45 3.132 0.663 5.042 1.00 0.00 C ATOM 638 OD1 ASP A 45 2.818 1.683 4.392 1.00 0.00 O ATOM 639 OD2 ASP A 45 2.312 -0.005 5.706 1.00 0.00 O ATOM 0 H ASP A 45 3.291 -1.814 4.448 1.00 0.00 H new ATOM 0 HA ASP A 45 4.864 -0.024 2.908 1.00 0.00 H new ATOM 0 HB2 ASP A 45 4.794 -0.351 5.930 1.00 0.00 H new ATOM 0 HB3 ASP A 45 5.229 1.090 5.032 1.00 0.00 H new ATOM 644 N VAL A 46 7.286 -0.334 4.168 1.00 0.00 N ATOM 645 CA VAL A 46 8.677 -0.747 4.311 1.00 0.00 C ATOM 646 C VAL A 46 8.836 -1.763 5.436 1.00 0.00 C ATOM 647 O VAL A 46 9.479 -2.798 5.264 1.00 0.00 O ATOM 648 CB VAL A 46 9.594 0.459 4.589 1.00 0.00 C ATOM 649 CG1 VAL A 46 9.045 1.295 5.735 1.00 0.00 C ATOM 650 CG2 VAL A 46 11.010 -0.008 4.891 1.00 0.00 C ATOM 0 H VAL A 46 7.132 0.669 4.267 1.00 0.00 H new ATOM 0 HA VAL A 46 8.970 -1.207 3.367 1.00 0.00 H new ATOM 0 HB VAL A 46 9.623 1.084 3.697 1.00 0.00 H new ATOM 0 HG11 VAL A 46 9.706 2.142 5.917 1.00 0.00 H new ATOM 0 HG12 VAL A 46 8.051 1.660 5.476 1.00 0.00 H new ATOM 0 HG13 VAL A 46 8.984 0.683 6.635 1.00 0.00 H new ATOM 0 HG21 VAL A 46 11.645 0.857 5.085 1.00 0.00 H new ATOM 0 HG22 VAL A 46 11.000 -0.655 5.768 1.00 0.00 H new ATOM 0 HG23 VAL A 46 11.401 -0.561 4.037 1.00 0.00 H new ATOM 660 N GLU A 47 8.245 -1.460 6.587 1.00 0.00 N ATOM 661 CA GLU A 47 8.322 -2.348 7.741 1.00 0.00 C ATOM 662 C GLU A 47 7.428 -3.570 7.547 1.00 0.00 C ATOM 663 O GLU A 47 7.876 -4.708 7.688 1.00 0.00 O ATOM 664 CB GLU A 47 7.916 -1.603 9.014 1.00 0.00 C ATOM 665 CG GLU A 47 9.019 -1.534 10.057 1.00 0.00 C ATOM 666 CD GLU A 47 8.598 -0.778 11.302 1.00 0.00 C ATOM 667 OE1 GLU A 47 8.184 0.393 11.175 1.00 0.00 O ATOM 668 OE2 GLU A 47 8.683 -1.359 12.405 1.00 0.00 O ATOM 0 H GLU A 47 7.708 -0.607 6.745 1.00 0.00 H new ATOM 0 HA GLU A 47 9.354 -2.685 7.840 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.613 -0.590 8.751 1.00 0.00 H new ATOM 0 HB3 GLU A 47 7.046 -2.093 9.450 1.00 0.00 H new ATOM 0 HG2 GLU A 47 9.316 -2.546 10.334 1.00 0.00 H new ATOM 0 HG3 GLU A 47 9.895 -1.052 9.623 1.00 0.00 H new ATOM 675 N SER A 48 6.162 -3.325 7.225 1.00 0.00 N ATOM 676 CA SER A 48 5.204 -4.404 7.016 1.00 0.00 C ATOM 677 C SER A 48 5.727 -5.404 5.989 1.00 0.00 C ATOM 678 O SER A 48 5.762 -6.608 6.240 1.00 0.00 O ATOM 679 CB SER A 48 3.859 -3.839 6.554 1.00 0.00 C ATOM 680 OG SER A 48 2.871 -3.990 7.558 1.00 0.00 O ATOM 0 H SER A 48 5.776 -2.389 7.103 1.00 0.00 H new ATOM 0 HA SER A 48 5.066 -4.922 7.965 1.00 0.00 H new ATOM 0 HB2 SER A 48 3.971 -2.784 6.305 1.00 0.00 H new ATOM 0 HB3 SER A 48 3.540 -4.349 5.645 1.00 0.00 H new ATOM 0 HG SER A 48 2.021 -3.620 7.239 1.00 0.00 H new ATOM 686 N GLY A 49 6.133 -4.895 4.830 1.00 0.00 N ATOM 687 CA GLY A 49 6.649 -5.756 3.781 1.00 0.00 C ATOM 688 C GLY A 49 7.944 -6.438 4.176 1.00 0.00 C ATOM 689 O GLY A 49 8.183 -7.591 3.812 1.00 0.00 O ATOM 0 H GLY A 49 6.114 -3.902 4.598 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.903 -6.513 3.536 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.813 -5.166 2.879 1.00 0.00 H new ATOM 693 N LEU A 50 8.782 -5.727 4.921 1.00 0.00 N ATOM 694 CA LEU A 50 10.061 -6.270 5.364 1.00 0.00 C ATOM 695 C LEU A 50 9.855 -7.488 6.259 1.00 0.00 C ATOM 696 O LEU A 50 10.510 -8.515 6.086 1.00 0.00 O ATOM 697 CB LEU A 50 10.860 -5.202 6.114 1.00 0.00 C ATOM 698 CG LEU A 50 11.830 -5.713 7.180 1.00 0.00 C ATOM 699 CD1 LEU A 50 12.813 -6.703 6.575 1.00 0.00 C ATOM 700 CD2 LEU A 50 12.569 -4.552 7.828 1.00 0.00 C ATOM 0 H LEU A 50 8.599 -4.773 5.231 1.00 0.00 H new ATOM 0 HA LEU A 50 10.620 -6.580 4.481 1.00 0.00 H new ATOM 0 HB2 LEU A 50 11.426 -4.622 5.385 1.00 0.00 H new ATOM 0 HB3 LEU A 50 10.157 -4.518 6.589 1.00 0.00 H new ATOM 0 HG LEU A 50 11.256 -6.227 7.951 1.00 0.00 H new ATOM 0 HD11 LEU A 50 13.496 -7.056 7.348 1.00 0.00 H new ATOM 0 HD12 LEU A 50 12.267 -7.549 6.159 1.00 0.00 H new ATOM 0 HD13 LEU A 50 13.382 -6.214 5.784 1.00 0.00 H new ATOM 0 HD21 LEU A 50 13.255 -4.934 8.584 1.00 0.00 H new ATOM 0 HD22 LEU A 50 13.132 -4.009 7.068 1.00 0.00 H new ATOM 0 HD23 LEU A 50 11.850 -3.879 8.297 1.00 0.00 H new ATOM 712 N GLN A 51 8.938 -7.366 7.214 1.00 0.00 N ATOM 713 CA GLN A 51 8.645 -8.458 8.134 1.00 0.00 C ATOM 714 C GLN A 51 8.002 -9.630 7.401 1.00 0.00 C ATOM 715 O GLN A 51 8.088 -10.774 7.846 1.00 0.00 O ATOM 716 CB GLN A 51 7.721 -7.974 9.254 1.00 0.00 C ATOM 717 CG GLN A 51 8.278 -6.794 10.034 1.00 0.00 C ATOM 718 CD GLN A 51 8.822 -7.195 11.391 1.00 0.00 C ATOM 719 OE1 GLN A 51 8.166 -7.008 12.416 1.00 0.00 O ATOM 720 NE2 GLN A 51 10.028 -7.751 11.404 1.00 0.00 N ATOM 0 H GLN A 51 8.386 -6.523 7.370 1.00 0.00 H new ATOM 0 HA GLN A 51 9.586 -8.797 8.568 1.00 0.00 H new ATOM 0 HB2 GLN A 51 6.759 -7.694 8.825 1.00 0.00 H new ATOM 0 HB3 GLN A 51 7.535 -8.799 9.942 1.00 0.00 H new ATOM 0 HG2 GLN A 51 9.071 -6.322 9.454 1.00 0.00 H new ATOM 0 HG3 GLN A 51 7.494 -6.049 10.167 1.00 0.00 H new ATOM 0 HE21 GLN A 51 10.536 -7.887 10.530 1.00 0.00 H new ATOM 0 HE22 GLN A 51 10.446 -8.042 12.288 1.00 0.00 H new ATOM 729 N GLN A 52 7.360 -9.337 6.275 1.00 0.00 N ATOM 730 CA GLN A 52 6.703 -10.368 5.480 1.00 0.00 C ATOM 731 C GLN A 52 7.722 -11.171 4.679 1.00 0.00 C ATOM 732 O GLN A 52 7.486 -12.331 4.339 1.00 0.00 O ATOM 733 CB GLN A 52 5.677 -9.738 4.536 1.00 0.00 C ATOM 734 CG GLN A 52 4.243 -9.862 5.026 1.00 0.00 C ATOM 735 CD GLN A 52 3.855 -11.293 5.338 1.00 0.00 C ATOM 736 OE1 GLN A 52 3.384 -11.596 6.435 1.00 0.00 O ATOM 737 NE2 GLN A 52 4.051 -12.185 4.373 1.00 0.00 N ATOM 0 H GLN A 52 7.281 -8.395 5.893 1.00 0.00 H new ATOM 0 HA GLN A 52 6.190 -11.045 6.163 1.00 0.00 H new ATOM 0 HB2 GLN A 52 5.917 -8.683 4.404 1.00 0.00 H new ATOM 0 HB3 GLN A 52 5.760 -10.209 3.556 1.00 0.00 H new ATOM 0 HG2 GLN A 52 4.114 -9.252 5.920 1.00 0.00 H new ATOM 0 HG3 GLN A 52 3.568 -9.464 4.268 1.00 0.00 H new ATOM 0 HE21 GLN A 52 4.444 -11.891 3.479 1.00 0.00 H new ATOM 0 HE22 GLN A 52 3.809 -13.164 4.526 1.00 0.00 H new ATOM 746 N LEU A 53 8.856 -10.547 4.380 1.00 0.00 N ATOM 747 CA LEU A 53 9.913 -11.204 3.619 1.00 0.00 C ATOM 748 C LEU A 53 10.642 -12.234 4.475 1.00 0.00 C ATOM 749 O LEU A 53 10.730 -13.408 4.113 1.00 0.00 O ATOM 750 CB LEU A 53 10.907 -10.168 3.090 1.00 0.00 C ATOM 751 CG LEU A 53 10.967 -10.009 1.571 1.00 0.00 C ATOM 752 CD1 LEU A 53 9.575 -10.112 0.968 1.00 0.00 C ATOM 753 CD2 LEU A 53 11.615 -8.683 1.198 1.00 0.00 C ATOM 0 H LEU A 53 9.067 -9.587 4.653 1.00 0.00 H new ATOM 0 HA LEU A 53 9.452 -11.720 2.777 1.00 0.00 H new ATOM 0 HB2 LEU A 53 10.659 -9.201 3.527 1.00 0.00 H new ATOM 0 HB3 LEU A 53 11.902 -10.434 3.447 1.00 0.00 H new ATOM 0 HG LEU A 53 11.577 -10.816 1.165 1.00 0.00 H new ATOM 0 HD11 LEU A 53 9.638 -9.996 -0.114 1.00 0.00 H new ATOM 0 HD12 LEU A 53 9.147 -11.086 1.205 1.00 0.00 H new ATOM 0 HD13 LEU A 53 8.941 -9.327 1.381 1.00 0.00 H new ATOM 0 HD21 LEU A 53 11.649 -8.587 0.113 1.00 0.00 H new ATOM 0 HD22 LEU A 53 11.032 -7.863 1.617 1.00 0.00 H new ATOM 0 HD23 LEU A 53 12.629 -8.648 1.597 1.00 0.00 H new ATOM 765 N LEU A 54 11.162 -11.788 5.613 1.00 0.00 N ATOM 766 CA LEU A 54 11.881 -12.672 6.524 1.00 0.00 C ATOM 767 C LEU A 54 10.911 -13.513 7.347 1.00 0.00 C ATOM 768 O LEU A 54 11.324 -14.390 8.106 1.00 0.00 O ATOM 769 CB LEU A 54 12.782 -11.856 7.453 1.00 0.00 C ATOM 770 CG LEU A 54 12.194 -11.506 8.820 1.00 0.00 C ATOM 771 CD1 LEU A 54 10.744 -11.069 8.682 1.00 0.00 C ATOM 772 CD2 LEU A 54 12.309 -12.690 9.769 1.00 0.00 C ATOM 0 H LEU A 54 11.099 -10.820 5.927 1.00 0.00 H new ATOM 0 HA LEU A 54 12.498 -13.344 5.927 1.00 0.00 H new ATOM 0 HB2 LEU A 54 13.707 -12.411 7.609 1.00 0.00 H new ATOM 0 HB3 LEU A 54 13.048 -10.929 6.946 1.00 0.00 H new ATOM 0 HG LEU A 54 12.763 -10.675 9.237 1.00 0.00 H new ATOM 0 HD11 LEU A 54 10.343 -10.824 9.665 1.00 0.00 H new ATOM 0 HD12 LEU A 54 10.688 -10.191 8.038 1.00 0.00 H new ATOM 0 HD13 LEU A 54 10.160 -11.878 8.243 1.00 0.00 H new ATOM 0 HD21 LEU A 54 11.885 -12.423 10.737 1.00 0.00 H new ATOM 0 HD22 LEU A 54 11.765 -13.540 9.357 1.00 0.00 H new ATOM 0 HD23 LEU A 54 13.359 -12.956 9.893 1.00 0.00 H new ATOM 784 N ASP A 55 9.620 -13.240 7.191 1.00 0.00 N ATOM 785 CA ASP A 55 8.590 -13.974 7.917 1.00 0.00 C ATOM 786 C ASP A 55 8.817 -15.478 7.810 1.00 0.00 C ATOM 787 O ASP A 55 8.809 -16.041 6.716 1.00 0.00 O ATOM 788 CB ASP A 55 7.204 -13.614 7.381 1.00 0.00 C ATOM 789 CG ASP A 55 6.174 -14.688 7.671 1.00 0.00 C ATOM 790 OD1 ASP A 55 5.830 -14.875 8.857 1.00 0.00 O ATOM 791 OD2 ASP A 55 5.712 -15.342 6.713 1.00 0.00 O ATOM 0 H ASP A 55 9.262 -12.516 6.568 1.00 0.00 H new ATOM 0 HA ASP A 55 8.649 -13.691 8.968 1.00 0.00 H new ATOM 0 HB2 ASP A 55 6.879 -12.673 7.826 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.264 -13.454 6.305 1.00 0.00 H new ATOM 796 N GLY A 56 9.019 -16.125 8.954 1.00 0.00 N ATOM 797 CA GLY A 56 9.246 -17.558 8.966 1.00 0.00 C ATOM 798 C GLY A 56 10.083 -18.002 10.150 1.00 0.00 C ATOM 799 O GLY A 56 9.955 -19.133 10.619 1.00 0.00 O ATOM 0 H GLY A 56 9.029 -15.682 9.873 1.00 0.00 H new ATOM 0 HA2 GLY A 56 8.287 -18.075 8.989 1.00 0.00 H new ATOM 0 HA3 GLY A 56 9.744 -17.852 8.042 1.00 0.00 H new ATOM 803 N SER A 57 10.943 -17.111 10.632 1.00 0.00 N ATOM 804 CA SER A 57 11.808 -17.420 11.765 1.00 0.00 C ATOM 805 C SER A 57 11.470 -16.537 12.963 1.00 0.00 C ATOM 806 O SER A 57 11.643 -16.939 14.112 1.00 0.00 O ATOM 807 CB SER A 57 13.276 -17.233 11.378 1.00 0.00 C ATOM 808 OG SER A 57 13.485 -15.974 10.762 1.00 0.00 O ATOM 0 H SER A 57 11.060 -16.170 10.256 1.00 0.00 H new ATOM 0 HA SER A 57 11.642 -18.461 12.044 1.00 0.00 H new ATOM 0 HB2 SER A 57 13.903 -17.315 12.266 1.00 0.00 H new ATOM 0 HB3 SER A 57 13.580 -18.029 10.698 1.00 0.00 H new ATOM 0 HG SER A 57 14.388 -15.941 10.384 1.00 0.00 H new ATOM 814 N GLY A 58 10.986 -15.331 12.683 1.00 0.00 N ATOM 815 CA GLY A 58 10.630 -14.410 13.747 1.00 0.00 C ATOM 816 C GLY A 58 11.841 -13.725 14.349 1.00 0.00 C ATOM 817 O GLY A 58 12.498 -14.274 15.235 1.00 0.00 O ATOM 0 H GLY A 58 10.834 -14.975 11.739 1.00 0.00 H new ATOM 0 HA2 GLY A 58 9.946 -13.656 13.357 1.00 0.00 H new ATOM 0 HA3 GLY A 58 10.096 -14.951 14.528 1.00 0.00 H new ATOM 821 N LEU A 59 12.139 -12.523 13.868 1.00 0.00 N ATOM 822 CA LEU A 59 13.281 -11.762 14.363 1.00 0.00 C ATOM 823 C LEU A 59 12.865 -10.347 14.752 1.00 0.00 C ATOM 824 O LEU A 59 11.732 -9.933 14.504 1.00 0.00 O ATOM 825 CB LEU A 59 14.382 -11.709 13.302 1.00 0.00 C ATOM 826 CG LEU A 59 15.301 -12.928 13.227 1.00 0.00 C ATOM 827 CD1 LEU A 59 14.933 -13.802 12.038 1.00 0.00 C ATOM 828 CD2 LEU A 59 16.757 -12.494 13.142 1.00 0.00 C ATOM 0 H LEU A 59 11.606 -12.054 13.136 1.00 0.00 H new ATOM 0 HA LEU A 59 13.664 -12.265 15.251 1.00 0.00 H new ATOM 0 HB2 LEU A 59 13.913 -11.572 12.327 1.00 0.00 H new ATOM 0 HB3 LEU A 59 14.996 -10.827 13.488 1.00 0.00 H new ATOM 0 HG LEU A 59 15.170 -13.514 14.137 1.00 0.00 H new ATOM 0 HD11 LEU A 59 15.598 -14.665 12.001 1.00 0.00 H new ATOM 0 HD12 LEU A 59 13.903 -14.142 12.142 1.00 0.00 H new ATOM 0 HD13 LEU A 59 15.034 -13.226 11.118 1.00 0.00 H new ATOM 0 HD21 LEU A 59 17.397 -13.375 13.089 1.00 0.00 H new ATOM 0 HD22 LEU A 59 16.904 -11.885 12.250 1.00 0.00 H new ATOM 0 HD23 LEU A 59 17.015 -11.911 14.026 1.00 0.00 H new ATOM 840 N GLN A 60 13.789 -9.610 15.359 1.00 0.00 N ATOM 841 CA GLN A 60 13.518 -8.240 15.780 1.00 0.00 C ATOM 842 C GLN A 60 14.269 -7.243 14.905 1.00 0.00 C ATOM 843 O GLN A 60 15.414 -7.479 14.518 1.00 0.00 O ATOM 844 CB GLN A 60 13.911 -8.048 17.246 1.00 0.00 C ATOM 845 CG GLN A 60 15.412 -7.945 17.465 1.00 0.00 C ATOM 846 CD GLN A 60 15.883 -8.746 18.663 1.00 0.00 C ATOM 847 OE1 GLN A 60 15.931 -8.238 19.784 1.00 0.00 O ATOM 848 NE2 GLN A 60 16.234 -10.005 18.433 1.00 0.00 N ATOM 0 H GLN A 60 14.731 -9.938 15.570 1.00 0.00 H new ATOM 0 HA GLN A 60 12.449 -8.057 15.671 1.00 0.00 H new ATOM 0 HB2 GLN A 60 13.434 -7.145 17.626 1.00 0.00 H new ATOM 0 HB3 GLN A 60 13.523 -8.883 17.830 1.00 0.00 H new ATOM 0 HG2 GLN A 60 15.930 -8.295 16.572 1.00 0.00 H new ATOM 0 HG3 GLN A 60 15.684 -6.899 17.602 1.00 0.00 H new ATOM 0 HE21 GLN A 60 16.179 -10.385 17.488 1.00 0.00 H new ATOM 0 HE22 GLN A 60 16.559 -10.592 19.201 1.00 0.00 H new ATOM 857 N VAL A 61 13.617 -6.126 14.595 1.00 0.00 N ATOM 858 CA VAL A 61 14.223 -5.092 13.766 1.00 0.00 C ATOM 859 C VAL A 61 14.293 -3.762 14.509 1.00 0.00 C ATOM 860 O VAL A 61 13.272 -3.223 14.936 1.00 0.00 O ATOM 861 CB VAL A 61 13.441 -4.894 12.454 1.00 0.00 C ATOM 862 CG1 VAL A 61 14.258 -4.080 11.462 1.00 0.00 C ATOM 863 CG2 VAL A 61 13.050 -6.238 11.859 1.00 0.00 C ATOM 0 H VAL A 61 12.669 -5.915 14.906 1.00 0.00 H new ATOM 0 HA VAL A 61 15.233 -5.427 13.531 1.00 0.00 H new ATOM 0 HB VAL A 61 12.528 -4.341 12.676 1.00 0.00 H new ATOM 0 HG11 VAL A 61 13.689 -3.951 10.541 1.00 0.00 H new ATOM 0 HG12 VAL A 61 14.482 -3.103 11.890 1.00 0.00 H new ATOM 0 HG13 VAL A 61 15.189 -4.602 11.243 1.00 0.00 H new ATOM 0 HG21 VAL A 61 12.498 -6.079 10.933 1.00 0.00 H new ATOM 0 HG22 VAL A 61 13.948 -6.819 11.651 1.00 0.00 H new ATOM 0 HG23 VAL A 61 12.423 -6.780 12.566 1.00 0.00 H new ATOM 873 N LYS A 62 15.504 -3.238 14.659 1.00 0.00 N ATOM 874 CA LYS A 62 15.709 -1.970 15.349 1.00 0.00 C ATOM 875 C LYS A 62 16.657 -1.069 14.563 1.00 0.00 C ATOM 876 O LYS A 62 17.651 -1.520 13.994 1.00 0.00 O ATOM 877 CB LYS A 62 16.267 -2.214 16.753 1.00 0.00 C ATOM 878 CG LYS A 62 17.441 -3.177 16.782 1.00 0.00 C ATOM 879 CD LYS A 62 17.005 -4.574 17.192 1.00 0.00 C ATOM 880 CE LYS A 62 17.020 -4.741 18.703 1.00 0.00 C ATOM 881 NZ LYS A 62 15.695 -4.431 19.309 1.00 0.00 N ATOM 0 H LYS A 62 16.359 -3.672 14.312 1.00 0.00 H new ATOM 0 HA LYS A 62 14.744 -1.469 15.430 1.00 0.00 H new ATOM 0 HB2 LYS A 62 16.579 -1.261 17.182 1.00 0.00 H new ATOM 0 HB3 LYS A 62 15.472 -2.604 17.388 1.00 0.00 H new ATOM 0 HG2 LYS A 62 17.907 -3.214 15.797 1.00 0.00 H new ATOM 0 HG3 LYS A 62 18.196 -2.811 17.478 1.00 0.00 H new ATOM 0 HD2 LYS A 62 16.002 -4.769 16.813 1.00 0.00 H new ATOM 0 HD3 LYS A 62 17.666 -5.311 16.737 1.00 0.00 H new ATOM 0 HE2 LYS A 62 17.303 -5.764 18.952 1.00 0.00 H new ATOM 0 HE3 LYS A 62 17.778 -4.086 19.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 15.634 -4.866 20.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 15.585 -3.400 19.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 14.939 -4.810 18.704 1.00 0.00 H new ATOM 895 N PRO A 63 16.344 0.235 14.529 1.00 0.00 N ATOM 896 CA PRO A 63 17.157 1.225 13.818 1.00 0.00 C ATOM 897 C PRO A 63 18.503 1.465 14.494 1.00 0.00 C ATOM 898 O PRO A 63 18.683 1.149 15.671 1.00 0.00 O ATOM 899 CB PRO A 63 16.299 2.492 13.871 1.00 0.00 C ATOM 900 CG PRO A 63 15.441 2.318 15.076 1.00 0.00 C ATOM 901 CD PRO A 63 15.174 0.842 15.184 1.00 0.00 C ATOM 0 HA PRO A 63 17.401 0.900 12.807 1.00 0.00 H new ATOM 0 HB2 PRO A 63 16.918 3.386 13.951 1.00 0.00 H new ATOM 0 HB3 PRO A 63 15.697 2.601 12.969 1.00 0.00 H new ATOM 0 HG2 PRO A 63 15.942 2.690 15.969 1.00 0.00 H new ATOM 0 HG3 PRO A 63 14.510 2.877 14.977 1.00 0.00 H new ATOM 0 HD2 PRO A 63 15.086 0.525 16.223 1.00 0.00 H new ATOM 0 HD3 PRO A 63 14.245 0.564 14.686 1.00 0.00 H new ATOM 909 N LEU A 64 19.445 2.025 13.744 1.00 0.00 N ATOM 910 CA LEU A 64 20.776 2.307 14.271 1.00 0.00 C ATOM 911 C LEU A 64 21.055 3.807 14.269 1.00 0.00 C ATOM 912 O LEU A 64 21.225 4.418 15.323 1.00 0.00 O ATOM 913 CB LEU A 64 21.838 1.578 13.447 1.00 0.00 C ATOM 914 CG LEU A 64 21.414 0.242 12.836 1.00 0.00 C ATOM 915 CD1 LEU A 64 22.486 -0.278 11.891 1.00 0.00 C ATOM 916 CD2 LEU A 64 21.125 -0.777 13.930 1.00 0.00 C ATOM 0 H LEU A 64 19.312 2.293 12.769 1.00 0.00 H new ATOM 0 HA LEU A 64 20.816 1.950 15.300 1.00 0.00 H new ATOM 0 HB2 LEU A 64 22.160 2.237 12.641 1.00 0.00 H new ATOM 0 HB3 LEU A 64 22.706 1.405 14.083 1.00 0.00 H new ATOM 0 HG LEU A 64 20.500 0.400 12.263 1.00 0.00 H new ATOM 0 HD11 LEU A 64 22.166 -1.229 11.466 1.00 0.00 H new ATOM 0 HD12 LEU A 64 22.644 0.443 11.089 1.00 0.00 H new ATOM 0 HD13 LEU A 64 23.417 -0.420 12.440 1.00 0.00 H new ATOM 0 HD21 LEU A 64 20.825 -1.722 13.477 1.00 0.00 H new ATOM 0 HD22 LEU A 64 22.022 -0.931 14.530 1.00 0.00 H new ATOM 0 HD23 LEU A 64 20.321 -0.408 14.567 1.00 0.00 H new ATOM 928 N GLY A 65 21.099 4.394 13.077 1.00 0.00 N ATOM 929 CA GLY A 65 21.356 5.817 12.960 1.00 0.00 C ATOM 930 C GLY A 65 20.178 6.573 12.377 1.00 0.00 C ATOM 931 O GLY A 65 19.116 6.650 12.992 1.00 0.00 O ATOM 0 H GLY A 65 20.961 3.909 12.190 1.00 0.00 H new ATOM 0 HA2 GLY A 65 21.593 6.222 13.944 1.00 0.00 H new ATOM 0 HA3 GLY A 65 22.232 5.974 12.331 1.00 0.00 H new ATOM 935 N ASN A 66 20.368 7.134 11.187 1.00 0.00 N ATOM 936 CA ASN A 66 19.313 7.890 10.522 1.00 0.00 C ATOM 937 C ASN A 66 18.080 7.020 10.296 1.00 0.00 C ATOM 938 O ASN A 66 17.134 7.050 11.082 1.00 0.00 O ATOM 939 CB ASN A 66 19.815 8.439 9.185 1.00 0.00 C ATOM 940 CG ASN A 66 18.738 9.192 8.428 1.00 0.00 C ATOM 941 OD1 ASN A 66 18.405 10.328 8.766 1.00 0.00 O ATOM 942 ND2 ASN A 66 18.189 8.561 7.397 1.00 0.00 N ATOM 0 H ASN A 66 21.242 7.079 10.664 1.00 0.00 H new ATOM 0 HA ASN A 66 19.035 8.723 11.168 1.00 0.00 H new ATOM 0 HB2 ASN A 66 20.662 9.102 9.363 1.00 0.00 H new ATOM 0 HB3 ASN A 66 20.179 7.615 8.571 1.00 0.00 H new ATOM 0 HD21 ASN A 66 17.460 9.018 6.849 1.00 0.00 H new ATOM 0 HD22 ASN A 66 18.496 7.620 7.153 1.00 0.00 H new ATOM 949 N ASN A 67 18.099 6.245 9.216 1.00 0.00 N ATOM 950 CA ASN A 67 16.984 5.366 8.886 1.00 0.00 C ATOM 951 C ASN A 67 17.476 3.958 8.565 1.00 0.00 C ATOM 952 O ASN A 67 16.851 3.232 7.792 1.00 0.00 O ATOM 953 CB ASN A 67 16.199 5.927 7.698 1.00 0.00 C ATOM 954 CG ASN A 67 14.893 5.193 7.469 1.00 0.00 C ATOM 955 OD1 ASN A 67 14.267 4.707 8.411 1.00 0.00 O ATOM 956 ND2 ASN A 67 14.475 5.107 6.211 1.00 0.00 N ATOM 0 H ASN A 67 18.875 6.208 8.555 1.00 0.00 H new ATOM 0 HA ASN A 67 16.328 5.313 9.755 1.00 0.00 H new ATOM 0 HB2 ASN A 67 15.993 6.984 7.869 1.00 0.00 H new ATOM 0 HB3 ASN A 67 16.811 5.862 6.799 1.00 0.00 H new ATOM 0 HD21 ASN A 67 13.603 4.623 5.995 1.00 0.00 H new ATOM 0 HD22 ASN A 67 15.026 5.525 5.461 1.00 0.00 H new ATOM 963 N SER A 68 18.601 3.580 9.164 1.00 0.00 N ATOM 964 CA SER A 68 19.180 2.261 8.940 1.00 0.00 C ATOM 965 C SER A 68 18.686 1.266 9.985 1.00 0.00 C ATOM 966 O SER A 68 18.819 1.496 11.188 1.00 0.00 O ATOM 967 CB SER A 68 20.708 2.338 8.974 1.00 0.00 C ATOM 968 OG SER A 68 21.290 1.097 8.615 1.00 0.00 O ATOM 0 H SER A 68 19.129 4.169 9.808 1.00 0.00 H new ATOM 0 HA SER A 68 18.863 1.915 7.956 1.00 0.00 H new ATOM 0 HB2 SER A 68 21.051 3.115 8.291 1.00 0.00 H new ATOM 0 HB3 SER A 68 21.039 2.623 9.973 1.00 0.00 H new ATOM 0 HG SER A 68 22.267 1.173 8.643 1.00 0.00 H new ATOM 974 N TRP A 69 18.117 0.161 9.519 1.00 0.00 N ATOM 975 CA TRP A 69 17.603 -0.871 10.413 1.00 0.00 C ATOM 976 C TRP A 69 18.440 -2.141 10.317 1.00 0.00 C ATOM 977 O TRP A 69 19.126 -2.372 9.320 1.00 0.00 O ATOM 978 CB TRP A 69 16.142 -1.180 10.081 1.00 0.00 C ATOM 979 CG TRP A 69 15.256 0.027 10.118 1.00 0.00 C ATOM 980 CD1 TRP A 69 15.403 1.175 9.393 1.00 0.00 C ATOM 981 CD2 TRP A 69 14.086 0.207 10.924 1.00 0.00 C ATOM 982 NE1 TRP A 69 14.395 2.058 9.699 1.00 0.00 N ATOM 983 CE2 TRP A 69 13.574 1.487 10.635 1.00 0.00 C ATOM 984 CE3 TRP A 69 13.420 -0.589 11.860 1.00 0.00 C ATOM 985 CZ2 TRP A 69 12.429 1.987 11.250 1.00 0.00 C ATOM 986 CZ3 TRP A 69 12.284 -0.092 12.469 1.00 0.00 C ATOM 987 CH2 TRP A 69 11.797 1.186 12.162 1.00 0.00 C ATOM 0 H TRP A 69 17.999 -0.044 8.527 1.00 0.00 H new ATOM 0 HA TRP A 69 17.664 -0.496 11.435 1.00 0.00 H new ATOM 0 HB2 TRP A 69 16.090 -1.630 9.090 1.00 0.00 H new ATOM 0 HB3 TRP A 69 15.765 -1.920 10.787 1.00 0.00 H new ATOM 0 HD1 TRP A 69 16.195 1.362 8.683 1.00 0.00 H new ATOM 0 HE1 TRP A 69 14.278 2.987 9.295 1.00 0.00 H new ATOM 0 HE3 TRP A 69 13.787 -1.575 12.103 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 12.053 2.972 11.016 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 11.762 -0.699 13.194 1.00 0.00 H new ATOM 0 HH2 TRP A 69 10.906 1.546 12.655 1.00 0.00 H new ATOM 998 N THR A 70 18.379 -2.965 11.358 1.00 0.00 N ATOM 999 CA THR A 70 19.132 -4.213 11.391 1.00 0.00 C ATOM 1000 C THR A 70 18.280 -5.355 11.933 1.00 0.00 C ATOM 1001 O THR A 70 17.336 -5.133 12.692 1.00 0.00 O ATOM 1002 CB THR A 70 20.401 -4.080 12.253 1.00 0.00 C ATOM 1003 OG1 THR A 70 21.162 -5.292 12.195 1.00 0.00 O ATOM 1004 CG2 THR A 70 20.044 -3.769 13.699 1.00 0.00 C ATOM 0 H THR A 70 17.816 -2.791 12.190 1.00 0.00 H new ATOM 0 HA THR A 70 19.421 -4.435 10.364 1.00 0.00 H new ATOM 0 HB THR A 70 20.997 -3.257 11.858 1.00 0.00 H new ATOM 0 HG1 THR A 70 21.687 -5.309 11.368 1.00 0.00 H new ATOM 0 HG21 THR A 70 20.957 -3.680 14.288 1.00 0.00 H new ATOM 0 HG22 THR A 70 19.490 -2.831 13.743 1.00 0.00 H new ATOM 0 HG23 THR A 70 19.429 -4.573 14.103 1.00 0.00 H new ATOM 1012 N LEU A 71 18.620 -6.578 11.540 1.00 0.00 N ATOM 1013 CA LEU A 71 17.886 -7.757 11.988 1.00 0.00 C ATOM 1014 C LEU A 71 18.729 -8.591 12.947 1.00 0.00 C ATOM 1015 O LEU A 71 19.830 -9.022 12.605 1.00 0.00 O ATOM 1016 CB LEU A 71 17.467 -8.607 10.787 1.00 0.00 C ATOM 1017 CG LEU A 71 16.051 -8.372 10.260 1.00 0.00 C ATOM 1018 CD1 LEU A 71 15.020 -8.892 11.250 1.00 0.00 C ATOM 1019 CD2 LEU A 71 15.825 -6.894 9.978 1.00 0.00 C ATOM 0 H LEU A 71 19.399 -6.779 10.913 1.00 0.00 H new ATOM 0 HA LEU A 71 16.994 -7.421 12.517 1.00 0.00 H new ATOM 0 HB2 LEU A 71 18.170 -8.424 9.975 1.00 0.00 H new ATOM 0 HB3 LEU A 71 17.562 -9.658 11.060 1.00 0.00 H new ATOM 0 HG LEU A 71 15.936 -8.921 9.325 1.00 0.00 H new ATOM 0 HD11 LEU A 71 14.018 -8.716 10.858 1.00 0.00 H new ATOM 0 HD12 LEU A 71 15.168 -9.961 11.401 1.00 0.00 H new ATOM 0 HD13 LEU A 71 15.134 -8.372 12.201 1.00 0.00 H new ATOM 0 HD21 LEU A 71 14.812 -6.746 9.604 1.00 0.00 H new ATOM 0 HD22 LEU A 71 15.959 -6.324 10.897 1.00 0.00 H new ATOM 0 HD23 LEU A 71 16.541 -6.552 9.231 1.00 0.00 H new ATOM 1031 N GLU A 72 18.203 -8.815 14.147 1.00 0.00 N ATOM 1032 CA GLU A 72 18.908 -9.600 15.154 1.00 0.00 C ATOM 1033 C GLU A 72 18.059 -10.781 15.615 1.00 0.00 C ATOM 1034 O GLU A 72 16.836 -10.791 15.476 1.00 0.00 O ATOM 1035 CB GLU A 72 19.273 -8.721 16.353 1.00 0.00 C ATOM 1036 CG GLU A 72 20.688 -8.170 16.294 1.00 0.00 C ATOM 1037 CD GLU A 72 20.757 -6.811 15.625 1.00 0.00 C ATOM 1038 OE1 GLU A 72 20.043 -5.891 16.077 1.00 0.00 O ATOM 1039 OE2 GLU A 72 21.525 -6.667 14.651 1.00 0.00 O ATOM 0 H GLU A 72 17.293 -8.465 14.445 1.00 0.00 H new ATOM 0 HA GLU A 72 19.822 -9.986 14.703 1.00 0.00 H new ATOM 0 HB2 GLU A 72 18.570 -7.890 16.411 1.00 0.00 H new ATOM 0 HB3 GLU A 72 19.156 -9.302 17.268 1.00 0.00 H new ATOM 0 HG2 GLU A 72 21.087 -8.094 17.306 1.00 0.00 H new ATOM 0 HG3 GLU A 72 21.324 -8.870 15.753 1.00 0.00 H new