USER MOD reduce.3.24.130724 H: found=0, std=0, add=443, rem=0, adj=11 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 2 GLN : amide:sc= -0.647 K(o=-1.4,f=-0.041!) USER MOD Set 1.2: A 4 ASN : amide:sc= -0.772 K(o=-1.4,f=-0.041) USER MOD Single : A 9 SER OG : rot 53:sc= 1.27 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= -0.0988 X(o=-0.099,f=-0.032) USER MOD Single : A 16 GLN : amide:sc= -0.501 X(o=-0.5,f=-0.37) USER MOD Single : A 17 TYR OH : rot -90:sc= -2.09! USER MOD Single : A 20 HIS : no HD1:sc= -4.31! C(o=-4.3!,f=-4.8!) USER MOD Single : A 21 SER OG : rot -140:sc= -0.534! 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 67:sc= 0.914 USER MOD Single : A 38 ASN : amide:sc=-0.00258 X(o=-0.0026,f=0) USER MOD Single : A 41 HIS : no HD1:sc= -0.224 X(o=-0.22,f=-0.019) 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= -0.48 X(o=-0.48,f=-0.48) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.215 X(o=-0.21,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 ASN : amide:sc= -1.6 K(o=-1.6,f=0.13) USER MOD Single : A 68 SER OG : rot 180:sc= 0.0147 USER MOD Single : A 70 THR OG1 : rot 38:sc= 1.17 USER MOD ----------------------------------------------------------------- ATOM 11 N GLN A 2 1.843 -1.665 -3.227 1.00 0.00 N ATOM 12 CA GLN A 2 1.862 -3.029 -3.742 1.00 0.00 C ATOM 13 C GLN A 2 3.267 -3.424 -4.183 1.00 0.00 C ATOM 14 O GLN A 2 3.859 -2.787 -5.054 1.00 0.00 O ATOM 15 CB GLN A 2 0.889 -3.167 -4.915 1.00 0.00 C ATOM 16 CG GLN A 2 0.314 -4.566 -5.066 1.00 0.00 C ATOM 17 CD GLN A 2 1.122 -5.430 -6.013 1.00 0.00 C ATOM 18 OE1 GLN A 2 1.685 -4.940 -6.992 1.00 0.00 O ATOM 19 NE2 GLN A 2 1.184 -6.726 -5.726 1.00 0.00 N ATOM 0 HA GLN A 2 1.551 -3.698 -2.940 1.00 0.00 H new ATOM 0 HB2 GLN A 2 0.071 -2.459 -4.783 1.00 0.00 H new ATOM 0 HB3 GLN A 2 1.402 -2.893 -5.837 1.00 0.00 H new ATOM 0 HG2 GLN A 2 0.273 -5.045 -4.088 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -0.711 -4.496 -5.429 1.00 0.00 H new ATOM 0 HE21 GLN A 2 0.702 -7.090 -4.904 1.00 0.00 H new ATOM 0 HE22 GLN A 2 1.714 -7.357 -6.328 1.00 0.00 H new ATOM 28 N VAL A 3 3.797 -4.481 -3.574 1.00 0.00 N ATOM 29 CA VAL A 3 5.134 -4.962 -3.904 1.00 0.00 C ATOM 30 C VAL A 3 5.134 -6.470 -4.128 1.00 0.00 C ATOM 31 O VAL A 3 4.763 -7.240 -3.243 1.00 0.00 O ATOM 32 CB VAL A 3 6.144 -4.619 -2.793 1.00 0.00 C ATOM 33 CG1 VAL A 3 7.521 -5.166 -3.136 1.00 0.00 C ATOM 34 CG2 VAL A 3 6.198 -3.116 -2.569 1.00 0.00 C ATOM 0 H VAL A 3 3.321 -5.020 -2.850 1.00 0.00 H new ATOM 0 HA VAL A 3 5.434 -4.460 -4.824 1.00 0.00 H new ATOM 0 HB VAL A 3 5.814 -5.089 -1.867 1.00 0.00 H new ATOM 0 HG11 VAL A 3 8.221 -4.914 -2.340 1.00 0.00 H new ATOM 0 HG12 VAL A 3 7.466 -6.249 -3.242 1.00 0.00 H new ATOM 0 HG13 VAL A 3 7.864 -4.727 -4.073 1.00 0.00 H new ATOM 0 HG21 VAL A 3 6.916 -2.891 -1.781 1.00 0.00 H new ATOM 0 HG22 VAL A 3 6.504 -2.622 -3.491 1.00 0.00 H new ATOM 0 HG23 VAL A 3 5.212 -2.756 -2.275 1.00 0.00 H new ATOM 44 N ASN A 4 5.555 -6.886 -5.319 1.00 0.00 N ATOM 45 CA ASN A 4 5.604 -8.303 -5.660 1.00 0.00 C ATOM 46 C ASN A 4 7.035 -8.741 -5.958 1.00 0.00 C ATOM 47 O ASN A 4 7.602 -8.383 -6.991 1.00 0.00 O ATOM 48 CB ASN A 4 4.710 -8.589 -6.868 1.00 0.00 C ATOM 49 CG ASN A 4 4.740 -7.468 -7.889 1.00 0.00 C ATOM 50 OD1 ASN A 4 5.491 -7.520 -8.863 1.00 0.00 O ATOM 51 ND2 ASN A 4 3.921 -6.446 -7.669 1.00 0.00 N ATOM 0 H ASN A 4 5.867 -6.262 -6.063 1.00 0.00 H new ATOM 0 HA ASN A 4 5.239 -8.870 -4.804 1.00 0.00 H new ATOM 0 HB2 ASN A 4 5.030 -9.517 -7.342 1.00 0.00 H new ATOM 0 HB3 ASN A 4 3.685 -8.741 -6.530 1.00 0.00 H new ATOM 0 HD21 ASN A 4 3.897 -5.662 -8.321 1.00 0.00 H new ATOM 0 HD22 ASN A 4 3.316 -6.445 -6.848 1.00 0.00 H new ATOM 58 N ILE A 5 7.612 -9.517 -5.047 1.00 0.00 N ATOM 59 CA ILE A 5 8.975 -10.005 -5.212 1.00 0.00 C ATOM 60 C ILE A 5 9.012 -11.529 -5.256 1.00 0.00 C ATOM 61 O ILE A 5 8.326 -12.199 -4.484 1.00 0.00 O ATOM 62 CB ILE A 5 9.892 -9.513 -4.077 1.00 0.00 C ATOM 63 CG1 ILE A 5 9.832 -7.988 -3.968 1.00 0.00 C ATOM 64 CG2 ILE A 5 11.322 -9.977 -4.311 1.00 0.00 C ATOM 65 CD1 ILE A 5 10.321 -7.457 -2.639 1.00 0.00 C ATOM 0 H ILE A 5 7.156 -9.821 -4.187 1.00 0.00 H new ATOM 0 HA ILE A 5 9.339 -9.607 -6.159 1.00 0.00 H new ATOM 0 HB ILE A 5 9.542 -9.940 -3.137 1.00 0.00 H new ATOM 0 HG12 ILE A 5 10.431 -7.551 -4.767 1.00 0.00 H new ATOM 0 HG13 ILE A 5 8.804 -7.661 -4.125 1.00 0.00 H new ATOM 0 HG21 ILE A 5 11.957 -9.621 -3.500 1.00 0.00 H new ATOM 0 HG22 ILE A 5 11.350 -11.066 -4.343 1.00 0.00 H new ATOM 0 HG23 ILE A 5 11.684 -9.577 -5.258 1.00 0.00 H new ATOM 0 HD11 ILE A 5 10.250 -6.369 -2.633 1.00 0.00 H new ATOM 0 HD12 ILE A 5 9.707 -7.865 -1.836 1.00 0.00 H new ATOM 0 HD13 ILE A 5 11.359 -7.753 -2.488 1.00 0.00 H new ATOM 77 N ALA A 6 9.819 -12.070 -6.163 1.00 0.00 N ATOM 78 CA ALA A 6 9.948 -13.515 -6.304 1.00 0.00 C ATOM 79 C ALA A 6 11.030 -14.063 -5.379 1.00 0.00 C ATOM 80 O ALA A 6 12.130 -13.519 -5.281 1.00 0.00 O ATOM 81 CB ALA A 6 10.254 -13.879 -7.750 1.00 0.00 C ATOM 0 H ALA A 6 10.393 -11.530 -6.811 1.00 0.00 H new ATOM 0 HA ALA A 6 8.999 -13.969 -6.019 1.00 0.00 H new ATOM 0 HB1 ALA A 6 10.348 -14.961 -7.841 1.00 0.00 H new ATOM 0 HB2 ALA A 6 9.445 -13.530 -8.392 1.00 0.00 H new ATOM 0 HB3 ALA A 6 11.188 -13.407 -8.054 1.00 0.00 H new ATOM 87 N PRO A 7 10.713 -15.165 -4.683 1.00 0.00 N ATOM 88 CA PRO A 7 11.645 -15.809 -3.753 1.00 0.00 C ATOM 89 C PRO A 7 12.810 -16.480 -4.473 1.00 0.00 C ATOM 90 O PRO A 7 13.060 -16.218 -5.648 1.00 0.00 O ATOM 91 CB PRO A 7 10.777 -16.856 -3.050 1.00 0.00 C ATOM 92 CG PRO A 7 9.682 -17.152 -4.016 1.00 0.00 C ATOM 93 CD PRO A 7 9.420 -15.866 -4.751 1.00 0.00 C ATOM 0 HA PRO A 7 12.105 -15.091 -3.074 1.00 0.00 H new ATOM 0 HB2 PRO A 7 11.351 -17.753 -2.815 1.00 0.00 H new ATOM 0 HB3 PRO A 7 10.382 -16.475 -2.108 1.00 0.00 H new ATOM 0 HG2 PRO A 7 9.974 -17.944 -4.706 1.00 0.00 H new ATOM 0 HG3 PRO A 7 8.786 -17.495 -3.498 1.00 0.00 H new ATOM 0 HD2 PRO A 7 9.115 -16.047 -5.782 1.00 0.00 H new ATOM 0 HD3 PRO A 7 8.625 -15.289 -4.280 1.00 0.00 H new ATOM 101 N GLY A 8 13.520 -17.348 -3.758 1.00 0.00 N ATOM 102 CA GLY A 8 14.651 -18.044 -4.346 1.00 0.00 C ATOM 103 C GLY A 8 15.980 -17.460 -3.910 1.00 0.00 C ATOM 104 O GLY A 8 17.037 -17.904 -4.358 1.00 0.00 O ATOM 0 H GLY A 8 13.333 -17.582 -2.783 1.00 0.00 H new ATOM 0 HA2 GLY A 8 14.611 -19.097 -4.067 1.00 0.00 H new ATOM 0 HA3 GLY A 8 14.577 -17.999 -5.433 1.00 0.00 H new ATOM 108 N SER A 9 15.928 -16.460 -3.036 1.00 0.00 N ATOM 109 CA SER A 9 17.137 -15.811 -2.544 1.00 0.00 C ATOM 110 C SER A 9 16.794 -14.698 -1.559 1.00 0.00 C ATOM 111 O SER A 9 15.984 -13.818 -1.854 1.00 0.00 O ATOM 112 CB SER A 9 17.947 -15.242 -3.712 1.00 0.00 C ATOM 113 OG SER A 9 18.939 -16.159 -4.139 1.00 0.00 O ATOM 0 H SER A 9 15.061 -16.082 -2.654 1.00 0.00 H new ATOM 0 HA SER A 9 17.736 -16.559 -2.025 1.00 0.00 H new ATOM 0 HB2 SER A 9 17.280 -15.010 -4.542 1.00 0.00 H new ATOM 0 HB3 SER A 9 18.418 -14.306 -3.410 1.00 0.00 H new ATOM 0 HG SER A 9 18.523 -17.026 -4.329 1.00 0.00 H new ATOM 119 N LEU A 10 17.416 -14.743 -0.386 1.00 0.00 N ATOM 120 CA LEU A 10 17.178 -13.739 0.645 1.00 0.00 C ATOM 121 C LEU A 10 17.835 -12.412 0.276 1.00 0.00 C ATOM 122 O LEU A 10 17.209 -11.355 0.355 1.00 0.00 O ATOM 123 CB LEU A 10 17.712 -14.227 1.993 1.00 0.00 C ATOM 124 CG LEU A 10 17.345 -13.375 3.209 1.00 0.00 C ATOM 125 CD1 LEU A 10 17.196 -14.247 4.446 1.00 0.00 C ATOM 126 CD2 LEU A 10 18.392 -12.295 3.438 1.00 0.00 C ATOM 0 H LEU A 10 18.089 -15.464 -0.125 1.00 0.00 H new ATOM 0 HA LEU A 10 16.102 -13.582 0.722 1.00 0.00 H new ATOM 0 HB2 LEU A 10 17.346 -15.240 2.161 1.00 0.00 H new ATOM 0 HB3 LEU A 10 18.799 -14.286 1.931 1.00 0.00 H new ATOM 0 HG LEU A 10 16.388 -12.890 3.014 1.00 0.00 H new ATOM 0 HD11 LEU A 10 16.935 -13.624 5.301 1.00 0.00 H new ATOM 0 HD12 LEU A 10 16.409 -14.983 4.280 1.00 0.00 H new ATOM 0 HD13 LEU A 10 18.137 -14.760 4.645 1.00 0.00 H new ATOM 0 HD21 LEU A 10 18.115 -11.698 4.307 1.00 0.00 H new ATOM 0 HD22 LEU A 10 19.362 -12.760 3.611 1.00 0.00 H new ATOM 0 HD23 LEU A 10 18.450 -11.652 2.560 1.00 0.00 H new ATOM 138 N ASP A 11 19.098 -12.476 -0.129 1.00 0.00 N ATOM 139 CA ASP A 11 19.839 -11.281 -0.514 1.00 0.00 C ATOM 140 C ASP A 11 19.122 -10.535 -1.635 1.00 0.00 C ATOM 141 O ASP A 11 19.011 -9.309 -1.607 1.00 0.00 O ATOM 142 CB ASP A 11 21.255 -11.653 -0.957 1.00 0.00 C ATOM 143 CG ASP A 11 21.264 -12.507 -2.210 1.00 0.00 C ATOM 144 OD1 ASP A 11 21.122 -13.742 -2.086 1.00 0.00 O ATOM 145 OD2 ASP A 11 21.414 -11.942 -3.313 1.00 0.00 O ATOM 0 H ASP A 11 19.630 -13.343 -0.199 1.00 0.00 H new ATOM 0 HA ASP A 11 19.899 -10.625 0.355 1.00 0.00 H new ATOM 0 HB2 ASP A 11 21.827 -10.743 -1.137 1.00 0.00 H new ATOM 0 HB3 ASP A 11 21.755 -12.190 -0.151 1.00 0.00 H new ATOM 150 N LYS A 12 18.637 -11.282 -2.621 1.00 0.00 N ATOM 151 CA LYS A 12 17.930 -10.693 -3.751 1.00 0.00 C ATOM 152 C LYS A 12 16.616 -10.062 -3.303 1.00 0.00 C ATOM 153 O LYS A 12 16.253 -8.975 -3.752 1.00 0.00 O ATOM 154 CB LYS A 12 17.659 -11.755 -4.820 1.00 0.00 C ATOM 155 CG LYS A 12 16.215 -11.792 -5.288 1.00 0.00 C ATOM 156 CD LYS A 12 16.015 -12.810 -6.399 1.00 0.00 C ATOM 157 CE LYS A 12 16.634 -12.337 -7.705 1.00 0.00 C ATOM 158 NZ LYS A 12 15.687 -12.470 -8.847 1.00 0.00 N ATOM 0 H LYS A 12 18.721 -12.298 -2.660 1.00 0.00 H new ATOM 0 HA LYS A 12 18.562 -9.912 -4.174 1.00 0.00 H new ATOM 0 HB2 LYS A 12 18.305 -11.568 -5.678 1.00 0.00 H new ATOM 0 HB3 LYS A 12 17.929 -12.734 -4.424 1.00 0.00 H new ATOM 0 HG2 LYS A 12 15.565 -12.037 -4.448 1.00 0.00 H new ATOM 0 HG3 LYS A 12 15.921 -10.804 -5.641 1.00 0.00 H new ATOM 0 HD2 LYS A 12 16.460 -13.761 -6.107 1.00 0.00 H new ATOM 0 HD3 LYS A 12 14.949 -12.988 -6.543 1.00 0.00 H new ATOM 0 HE2 LYS A 12 16.940 -11.295 -7.606 1.00 0.00 H new ATOM 0 HE3 LYS A 12 17.535 -12.915 -7.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 16.146 -12.137 -9.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 15.415 -13.468 -8.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 14.838 -11.898 -8.663 1.00 0.00 H new ATOM 172 N ALA A 13 15.908 -10.750 -2.413 1.00 0.00 N ATOM 173 CA ALA A 13 14.636 -10.255 -1.901 1.00 0.00 C ATOM 174 C ALA A 13 14.837 -9.010 -1.043 1.00 0.00 C ATOM 175 O ALA A 13 13.993 -8.113 -1.025 1.00 0.00 O ATOM 176 CB ALA A 13 13.930 -11.340 -1.103 1.00 0.00 C ATOM 0 H ALA A 13 16.194 -11.652 -2.032 1.00 0.00 H new ATOM 0 HA ALA A 13 14.012 -9.981 -2.752 1.00 0.00 H new ATOM 0 HB1 ALA A 13 12.982 -10.956 -0.727 1.00 0.00 H new ATOM 0 HB2 ALA A 13 13.744 -12.201 -1.745 1.00 0.00 H new ATOM 0 HB3 ALA A 13 14.558 -11.642 -0.264 1.00 0.00 H new ATOM 182 N LEU A 14 15.958 -8.962 -0.332 1.00 0.00 N ATOM 183 CA LEU A 14 16.270 -7.827 0.530 1.00 0.00 C ATOM 184 C LEU A 14 16.372 -6.540 -0.281 1.00 0.00 C ATOM 185 O LEU A 14 15.715 -5.546 0.027 1.00 0.00 O ATOM 186 CB LEU A 14 17.579 -8.076 1.281 1.00 0.00 C ATOM 187 CG LEU A 14 18.377 -6.831 1.669 1.00 0.00 C ATOM 188 CD1 LEU A 14 17.567 -5.948 2.605 1.00 0.00 C ATOM 189 CD2 LEU A 14 19.699 -7.224 2.313 1.00 0.00 C ATOM 0 H LEU A 14 16.666 -9.696 -0.335 1.00 0.00 H new ATOM 0 HA LEU A 14 15.460 -7.717 1.251 1.00 0.00 H new ATOM 0 HB2 LEU A 14 17.353 -8.636 2.189 1.00 0.00 H new ATOM 0 HB3 LEU A 14 18.213 -8.712 0.664 1.00 0.00 H new ATOM 0 HG LEU A 14 18.592 -6.264 0.763 1.00 0.00 H new ATOM 0 HD11 LEU A 14 18.151 -5.067 2.870 1.00 0.00 H new ATOM 0 HD12 LEU A 14 16.648 -5.638 2.108 1.00 0.00 H new ATOM 0 HD13 LEU A 14 17.321 -6.505 3.509 1.00 0.00 H new ATOM 0 HD21 LEU A 14 20.254 -6.325 2.583 1.00 0.00 H new ATOM 0 HD22 LEU A 14 19.506 -7.814 3.209 1.00 0.00 H new ATOM 0 HD23 LEU A 14 20.285 -7.815 1.609 1.00 0.00 H new ATOM 201 N ASN A 15 17.200 -6.566 -1.321 1.00 0.00 N ATOM 202 CA ASN A 15 17.387 -5.401 -2.178 1.00 0.00 C ATOM 203 C ASN A 15 16.095 -5.052 -2.911 1.00 0.00 C ATOM 204 O ASN A 15 15.822 -3.883 -3.184 1.00 0.00 O ATOM 205 CB ASN A 15 18.506 -5.660 -3.189 1.00 0.00 C ATOM 206 CG ASN A 15 19.855 -5.848 -2.522 1.00 0.00 C ATOM 207 OD1 ASN A 15 20.452 -4.893 -2.024 1.00 0.00 O ATOM 208 ND2 ASN A 15 20.343 -7.083 -2.511 1.00 0.00 N ATOM 0 H ASN A 15 17.752 -7.381 -1.590 1.00 0.00 H new ATOM 0 HA ASN A 15 17.665 -4.557 -1.546 1.00 0.00 H new ATOM 0 HB2 ASN A 15 18.266 -6.548 -3.773 1.00 0.00 H new ATOM 0 HB3 ASN A 15 18.562 -4.825 -3.887 1.00 0.00 H new ATOM 0 HD21 ASN A 15 21.247 -7.270 -2.078 1.00 0.00 H new ATOM 0 HD22 ASN A 15 19.814 -7.844 -2.936 1.00 0.00 H new ATOM 215 N GLN A 16 15.305 -6.073 -3.226 1.00 0.00 N ATOM 216 CA GLN A 16 14.043 -5.874 -3.927 1.00 0.00 C ATOM 217 C GLN A 16 13.110 -4.974 -3.124 1.00 0.00 C ATOM 218 O GLN A 16 12.654 -3.940 -3.613 1.00 0.00 O ATOM 219 CB GLN A 16 13.367 -7.219 -4.197 1.00 0.00 C ATOM 220 CG GLN A 16 14.012 -8.010 -5.323 1.00 0.00 C ATOM 221 CD GLN A 16 13.277 -7.855 -6.640 1.00 0.00 C ATOM 222 OE1 GLN A 16 12.936 -6.744 -7.047 1.00 0.00 O ATOM 223 NE2 GLN A 16 13.030 -8.972 -7.315 1.00 0.00 N ATOM 0 H GLN A 16 15.517 -7.046 -3.007 1.00 0.00 H new ATOM 0 HA GLN A 16 14.258 -5.387 -4.878 1.00 0.00 H new ATOM 0 HB2 GLN A 16 13.389 -7.817 -3.286 1.00 0.00 H new ATOM 0 HB3 GLN A 16 12.318 -7.047 -4.440 1.00 0.00 H new ATOM 0 HG2 GLN A 16 15.044 -7.683 -5.447 1.00 0.00 H new ATOM 0 HG3 GLN A 16 14.042 -9.065 -5.050 1.00 0.00 H new ATOM 0 HE21 GLN A 16 13.331 -9.872 -6.940 1.00 0.00 H new ATOM 0 HE22 GLN A 16 12.540 -8.930 -8.208 1.00 0.00 H new ATOM 232 N TYR A 17 12.829 -5.375 -1.889 1.00 0.00 N ATOM 233 CA TYR A 17 11.948 -4.606 -1.017 1.00 0.00 C ATOM 234 C TYR A 17 12.643 -3.345 -0.515 1.00 0.00 C ATOM 235 O TYR A 17 12.018 -2.295 -0.367 1.00 0.00 O ATOM 236 CB TYR A 17 11.497 -5.461 0.169 1.00 0.00 C ATOM 237 CG TYR A 17 12.366 -5.301 1.395 1.00 0.00 C ATOM 238 CD1 TYR A 17 12.098 -4.317 2.338 1.00 0.00 C ATOM 239 CD2 TYR A 17 13.456 -6.136 1.611 1.00 0.00 C ATOM 240 CE1 TYR A 17 12.891 -4.167 3.460 1.00 0.00 C ATOM 241 CE2 TYR A 17 14.253 -5.995 2.731 1.00 0.00 C ATOM 242 CZ TYR A 17 13.967 -5.009 3.652 1.00 0.00 C ATOM 243 OH TYR A 17 14.758 -4.864 4.768 1.00 0.00 O ATOM 0 H TYR A 17 13.198 -6.228 -1.469 1.00 0.00 H new ATOM 0 HA TYR A 17 11.073 -4.310 -1.596 1.00 0.00 H new ATOM 0 HB2 TYR A 17 10.470 -5.200 0.425 1.00 0.00 H new ATOM 0 HB3 TYR A 17 11.494 -6.509 -0.130 1.00 0.00 H new ATOM 0 HD1 TYR A 17 11.255 -3.658 2.192 1.00 0.00 H new ATOM 0 HD2 TYR A 17 13.684 -6.908 0.891 1.00 0.00 H new ATOM 0 HE1 TYR A 17 12.670 -3.395 4.182 1.00 0.00 H new ATOM 0 HE2 TYR A 17 15.095 -6.653 2.884 1.00 0.00 H new ATOM 0 HH TYR A 17 15.489 -4.242 4.572 1.00 0.00 H new ATOM 253 N ALA A 18 13.942 -3.457 -0.254 1.00 0.00 N ATOM 254 CA ALA A 18 14.724 -2.326 0.229 1.00 0.00 C ATOM 255 C ALA A 18 14.721 -1.184 -0.781 1.00 0.00 C ATOM 256 O ALA A 18 14.776 -0.013 -0.409 1.00 0.00 O ATOM 257 CB ALA A 18 16.150 -2.762 0.531 1.00 0.00 C ATOM 0 H ALA A 18 14.474 -4.319 -0.369 1.00 0.00 H new ATOM 0 HA ALA A 18 14.263 -1.964 1.148 1.00 0.00 H new ATOM 0 HB1 ALA A 18 16.723 -1.908 0.891 1.00 0.00 H new ATOM 0 HB2 ALA A 18 16.139 -3.539 1.295 1.00 0.00 H new ATOM 0 HB3 ALA A 18 16.611 -3.152 -0.376 1.00 0.00 H new ATOM 263 N ALA A 19 14.656 -1.534 -2.062 1.00 0.00 N ATOM 264 CA ALA A 19 14.645 -0.538 -3.126 1.00 0.00 C ATOM 265 C ALA A 19 13.264 0.093 -3.273 1.00 0.00 C ATOM 266 O ALA A 19 13.138 1.246 -3.685 1.00 0.00 O ATOM 267 CB ALA A 19 15.083 -1.165 -4.441 1.00 0.00 C ATOM 0 H ALA A 19 14.610 -2.500 -2.387 1.00 0.00 H new ATOM 0 HA ALA A 19 15.350 0.250 -2.859 1.00 0.00 H new ATOM 0 HB1 ALA A 19 15.070 -0.409 -5.227 1.00 0.00 H new ATOM 0 HB2 ALA A 19 16.093 -1.562 -4.336 1.00 0.00 H new ATOM 0 HB3 ALA A 19 14.401 -1.973 -4.704 1.00 0.00 H new ATOM 273 N HIS A 20 12.231 -0.672 -2.934 1.00 0.00 N ATOM 274 CA HIS A 20 10.858 -0.187 -3.028 1.00 0.00 C ATOM 275 C HIS A 20 10.534 0.755 -1.873 1.00 0.00 C ATOM 276 O HIS A 20 9.669 1.623 -1.991 1.00 0.00 O ATOM 277 CB HIS A 20 9.879 -1.362 -3.034 1.00 0.00 C ATOM 278 CG HIS A 20 9.057 -1.462 -1.787 1.00 0.00 C ATOM 279 ND1 HIS A 20 7.972 -0.649 -1.533 1.00 0.00 N ATOM 280 CD2 HIS A 20 9.164 -2.288 -0.720 1.00 0.00 C ATOM 281 CE1 HIS A 20 7.449 -0.969 -0.363 1.00 0.00 C ATOM 282 NE2 HIS A 20 8.153 -1.961 0.151 1.00 0.00 N ATOM 0 H HIS A 20 12.318 -1.629 -2.592 1.00 0.00 H new ATOM 0 HA HIS A 20 10.757 0.365 -3.962 1.00 0.00 H new ATOM 0 HB2 HIS A 20 9.213 -1.265 -3.892 1.00 0.00 H new ATOM 0 HB3 HIS A 20 10.437 -2.289 -3.167 1.00 0.00 H new ATOM 0 HD2 HIS A 20 9.906 -3.060 -0.580 1.00 0.00 H new ATOM 0 HE1 HIS A 20 6.591 -0.499 0.095 1.00 0.00 H new ATOM 0 HE2 HIS A 20 7.975 -2.411 1.049 1.00 0.00 H new ATOM 290 N SER A 21 11.232 0.576 -0.756 1.00 0.00 N ATOM 291 CA SER A 21 11.015 1.407 0.422 1.00 0.00 C ATOM 292 C SER A 21 11.844 2.686 0.345 1.00 0.00 C ATOM 293 O SER A 21 11.308 3.791 0.412 1.00 0.00 O ATOM 294 CB SER A 21 11.371 0.632 1.692 1.00 0.00 C ATOM 295 OG SER A 21 11.453 1.496 2.812 1.00 0.00 O ATOM 0 H SER A 21 11.952 -0.137 -0.642 1.00 0.00 H new ATOM 0 HA SER A 21 9.960 1.679 0.454 1.00 0.00 H new ATOM 0 HB2 SER A 21 10.619 -0.136 1.876 1.00 0.00 H new ATOM 0 HB3 SER A 21 12.323 0.120 1.554 1.00 0.00 H new ATOM 0 HG SER A 21 12.207 1.228 3.377 1.00 0.00 H new ATOM 301 N GLY A 22 13.156 2.526 0.204 1.00 0.00 N ATOM 302 CA GLY A 22 14.039 3.675 0.120 1.00 0.00 C ATOM 303 C GLY A 22 14.842 3.883 1.389 1.00 0.00 C ATOM 304 O GLY A 22 15.286 4.995 1.676 1.00 0.00 O ATOM 0 H GLY A 22 13.623 1.621 0.146 1.00 0.00 H new ATOM 0 HA2 GLY A 22 14.721 3.545 -0.720 1.00 0.00 H new ATOM 0 HA3 GLY A 22 13.449 4.569 -0.084 1.00 0.00 H new ATOM 308 N PHE A 23 15.028 2.811 2.152 1.00 0.00 N ATOM 309 CA PHE A 23 15.780 2.881 3.399 1.00 0.00 C ATOM 310 C PHE A 23 16.973 1.930 3.368 1.00 0.00 C ATOM 311 O PHE A 23 17.108 1.113 2.457 1.00 0.00 O ATOM 312 CB PHE A 23 14.875 2.544 4.586 1.00 0.00 C ATOM 313 CG PHE A 23 14.696 1.068 4.802 1.00 0.00 C ATOM 314 CD1 PHE A 23 14.016 0.296 3.874 1.00 0.00 C ATOM 315 CD2 PHE A 23 15.207 0.453 5.933 1.00 0.00 C ATOM 316 CE1 PHE A 23 13.849 -1.061 4.071 1.00 0.00 C ATOM 317 CE2 PHE A 23 15.043 -0.904 6.136 1.00 0.00 C ATOM 318 CZ PHE A 23 14.364 -1.662 5.203 1.00 0.00 C ATOM 0 H PHE A 23 14.668 1.883 1.928 1.00 0.00 H new ATOM 0 HA PHE A 23 16.152 3.899 3.513 1.00 0.00 H new ATOM 0 HB2 PHE A 23 15.294 2.987 5.489 1.00 0.00 H new ATOM 0 HB3 PHE A 23 13.898 3.002 4.430 1.00 0.00 H new ATOM 0 HD1 PHE A 23 13.612 0.760 2.987 1.00 0.00 H new ATOM 0 HD2 PHE A 23 15.740 1.041 6.665 1.00 0.00 H new ATOM 0 HE1 PHE A 23 13.316 -1.652 3.340 1.00 0.00 H new ATOM 0 HE2 PHE A 23 15.445 -1.371 7.023 1.00 0.00 H new ATOM 0 HZ PHE A 23 14.236 -2.723 5.358 1.00 0.00 H new ATOM 328 N THR A 24 17.839 2.044 4.371 1.00 0.00 N ATOM 329 CA THR A 24 19.022 1.197 4.459 1.00 0.00 C ATOM 330 C THR A 24 18.846 0.116 5.519 1.00 0.00 C ATOM 331 O THR A 24 18.176 0.327 6.531 1.00 0.00 O ATOM 332 CB THR A 24 20.280 2.022 4.788 1.00 0.00 C ATOM 333 OG1 THR A 24 20.364 3.155 3.916 1.00 0.00 O ATOM 334 CG2 THR A 24 21.535 1.174 4.647 1.00 0.00 C ATOM 0 H THR A 24 17.743 2.715 5.133 1.00 0.00 H new ATOM 0 HA THR A 24 19.149 0.728 3.483 1.00 0.00 H new ATOM 0 HB THR A 24 20.205 2.363 5.821 1.00 0.00 H new ATOM 0 HG1 THR A 24 21.166 3.676 4.132 1.00 0.00 H new ATOM 0 HG21 THR A 24 22.411 1.778 4.884 1.00 0.00 H new ATOM 0 HG22 THR A 24 21.481 0.328 5.332 1.00 0.00 H new ATOM 0 HG23 THR A 24 21.613 0.808 3.623 1.00 0.00 H new ATOM 342 N LEU A 25 19.451 -1.043 5.282 1.00 0.00 N ATOM 343 CA LEU A 25 19.362 -2.159 6.218 1.00 0.00 C ATOM 344 C LEU A 25 20.711 -2.853 6.368 1.00 0.00 C ATOM 345 O LEU A 25 21.393 -3.127 5.380 1.00 0.00 O ATOM 346 CB LEU A 25 18.309 -3.163 5.745 1.00 0.00 C ATOM 347 CG LEU A 25 18.061 -4.358 6.666 1.00 0.00 C ATOM 348 CD1 LEU A 25 16.796 -4.148 7.485 1.00 0.00 C ATOM 349 CD2 LEU A 25 17.967 -5.644 5.858 1.00 0.00 C ATOM 0 H LEU A 25 20.009 -1.235 4.450 1.00 0.00 H new ATOM 0 HA LEU A 25 19.068 -1.763 7.190 1.00 0.00 H new ATOM 0 HB2 LEU A 25 17.366 -2.633 5.608 1.00 0.00 H new ATOM 0 HB3 LEU A 25 18.608 -3.539 4.767 1.00 0.00 H new ATOM 0 HG LEU A 25 18.904 -4.444 7.352 1.00 0.00 H new ATOM 0 HD11 LEU A 25 16.636 -5.009 8.134 1.00 0.00 H new ATOM 0 HD12 LEU A 25 16.901 -3.249 8.093 1.00 0.00 H new ATOM 0 HD13 LEU A 25 15.943 -4.035 6.815 1.00 0.00 H new ATOM 0 HD21 LEU A 25 17.790 -6.484 6.530 1.00 0.00 H new ATOM 0 HD22 LEU A 25 17.144 -5.568 5.148 1.00 0.00 H new ATOM 0 HD23 LEU A 25 18.900 -5.803 5.317 1.00 0.00 H new ATOM 361 N SER A 26 21.090 -3.136 7.610 1.00 0.00 N ATOM 362 CA SER A 26 22.360 -3.797 7.890 1.00 0.00 C ATOM 363 C SER A 26 22.133 -5.133 8.592 1.00 0.00 C ATOM 364 O SER A 26 21.843 -5.178 9.787 1.00 0.00 O ATOM 365 CB SER A 26 23.247 -2.898 8.753 1.00 0.00 C ATOM 366 OG SER A 26 24.588 -2.915 8.295 1.00 0.00 O ATOM 0 H SER A 26 20.536 -2.918 8.438 1.00 0.00 H new ATOM 0 HA SER A 26 22.861 -3.986 6.941 1.00 0.00 H new ATOM 0 HB2 SER A 26 22.865 -1.877 8.732 1.00 0.00 H new ATOM 0 HB3 SER A 26 23.209 -3.232 9.790 1.00 0.00 H new ATOM 0 HG SER A 26 25.135 -2.332 8.862 1.00 0.00 H new ATOM 372 N VAL A 27 22.269 -6.220 7.839 1.00 0.00 N ATOM 373 CA VAL A 27 22.080 -7.558 8.387 1.00 0.00 C ATOM 374 C VAL A 27 23.232 -8.478 7.999 1.00 0.00 C ATOM 375 O VAL A 27 23.700 -8.457 6.860 1.00 0.00 O ATOM 376 CB VAL A 27 20.756 -8.180 7.906 1.00 0.00 C ATOM 377 CG1 VAL A 27 20.618 -8.043 6.398 1.00 0.00 C ATOM 378 CG2 VAL A 27 20.669 -9.639 8.328 1.00 0.00 C ATOM 0 H VAL A 27 22.509 -6.200 6.848 1.00 0.00 H new ATOM 0 HA VAL A 27 22.051 -7.455 9.472 1.00 0.00 H new ATOM 0 HB VAL A 27 19.931 -7.641 8.372 1.00 0.00 H new ATOM 0 HG11 VAL A 27 19.676 -8.488 6.077 1.00 0.00 H new ATOM 0 HG12 VAL A 27 20.632 -6.988 6.126 1.00 0.00 H new ATOM 0 HG13 VAL A 27 21.447 -8.555 5.909 1.00 0.00 H new ATOM 0 HG21 VAL A 27 19.727 -10.063 7.980 1.00 0.00 H new ATOM 0 HG22 VAL A 27 21.500 -10.194 7.892 1.00 0.00 H new ATOM 0 HG23 VAL A 27 20.718 -9.707 9.415 1.00 0.00 H new ATOM 388 N ASP A 28 23.684 -9.285 8.952 1.00 0.00 N ATOM 389 CA ASP A 28 24.781 -10.215 8.710 1.00 0.00 C ATOM 390 C ASP A 28 24.501 -11.077 7.483 1.00 0.00 C ATOM 391 O ASP A 28 23.585 -11.899 7.485 1.00 0.00 O ATOM 392 CB ASP A 28 25.002 -11.105 9.934 1.00 0.00 C ATOM 393 CG ASP A 28 25.813 -10.415 11.013 1.00 0.00 C ATOM 394 OD1 ASP A 28 25.407 -9.318 11.450 1.00 0.00 O ATOM 395 OD2 ASP A 28 26.854 -10.971 11.420 1.00 0.00 O ATOM 0 H ASP A 28 23.308 -9.314 9.900 1.00 0.00 H new ATOM 0 HA ASP A 28 25.684 -9.634 8.525 1.00 0.00 H new ATOM 0 HB2 ASP A 28 24.036 -11.401 10.343 1.00 0.00 H new ATOM 0 HB3 ASP A 28 25.512 -12.018 9.628 1.00 0.00 H new ATOM 524 N SER A 37 14.126 -16.480 1.283 1.00 0.00 N ATOM 525 CA SER A 37 13.084 -15.715 1.958 1.00 0.00 C ATOM 526 C SER A 37 11.772 -15.783 1.182 1.00 0.00 C ATOM 527 O SER A 37 11.761 -16.056 -0.017 1.00 0.00 O ATOM 528 CB SER A 37 13.517 -14.257 2.124 1.00 0.00 C ATOM 529 OG SER A 37 12.429 -13.375 1.913 1.00 0.00 O ATOM 0 HA SER A 37 12.927 -16.153 2.944 1.00 0.00 H new ATOM 0 HB2 SER A 37 13.922 -14.106 3.125 1.00 0.00 H new ATOM 0 HB3 SER A 37 14.316 -14.029 1.419 1.00 0.00 H new ATOM 0 HG SER A 37 11.768 -13.495 2.626 1.00 0.00 H new ATOM 535 N ASN A 38 10.667 -15.532 1.877 1.00 0.00 N ATOM 536 CA ASN A 38 9.349 -15.564 1.255 1.00 0.00 C ATOM 537 C ASN A 38 9.067 -14.263 0.509 1.00 0.00 C ATOM 538 O ASN A 38 8.869 -13.215 1.122 1.00 0.00 O ATOM 539 CB ASN A 38 8.269 -15.803 2.311 1.00 0.00 C ATOM 540 CG ASN A 38 8.090 -17.275 2.632 1.00 0.00 C ATOM 541 OD1 ASN A 38 8.434 -17.730 3.723 1.00 0.00 O ATOM 542 ND2 ASN A 38 7.549 -18.026 1.680 1.00 0.00 N ATOM 0 H ASN A 38 10.659 -15.304 2.871 1.00 0.00 H new ATOM 0 HA ASN A 38 9.334 -16.384 0.537 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.530 -15.264 3.222 1.00 0.00 H new ATOM 0 HB3 ASN A 38 7.323 -15.393 1.958 1.00 0.00 H new ATOM 0 HD21 ASN A 38 7.403 -19.023 1.838 1.00 0.00 H new ATOM 0 HD22 ASN A 38 7.279 -17.606 0.791 1.00 0.00 H new ATOM 549 N GLY A 39 9.051 -14.339 -0.818 1.00 0.00 N ATOM 550 CA GLY A 39 8.792 -13.161 -1.626 1.00 0.00 C ATOM 551 C GLY A 39 7.570 -12.395 -1.159 1.00 0.00 C ATOM 552 O GLY A 39 6.653 -12.972 -0.574 1.00 0.00 O ATOM 0 H GLY A 39 9.213 -15.195 -1.348 1.00 0.00 H new ATOM 0 HA2 GLY A 39 9.662 -12.505 -1.596 1.00 0.00 H new ATOM 0 HA3 GLY A 39 8.654 -13.460 -2.665 1.00 0.00 H new ATOM 556 N LEU A 40 7.557 -11.092 -1.417 1.00 0.00 N ATOM 557 CA LEU A 40 6.439 -10.245 -1.017 1.00 0.00 C ATOM 558 C LEU A 40 5.337 -10.266 -2.071 1.00 0.00 C ATOM 559 O LEU A 40 5.593 -10.520 -3.249 1.00 0.00 O ATOM 560 CB LEU A 40 6.917 -8.809 -0.792 1.00 0.00 C ATOM 561 CG LEU A 40 5.964 -7.899 -0.016 1.00 0.00 C ATOM 562 CD1 LEU A 40 5.618 -8.512 1.331 1.00 0.00 C ATOM 563 CD2 LEU A 40 6.576 -6.517 0.166 1.00 0.00 C ATOM 0 H LEU A 40 8.308 -10.599 -1.901 1.00 0.00 H new ATOM 0 HA LEU A 40 6.033 -10.637 -0.084 1.00 0.00 H new ATOM 0 HB2 LEU A 40 7.868 -8.843 -0.261 1.00 0.00 H new ATOM 0 HB3 LEU A 40 7.110 -8.355 -1.764 1.00 0.00 H new ATOM 0 HG LEU A 40 5.044 -7.794 -0.591 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.939 -7.850 1.868 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.137 -9.478 1.178 1.00 0.00 H new ATOM 0 HD13 LEU A 40 6.529 -8.648 1.914 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.884 -5.883 0.720 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.511 -6.603 0.719 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.771 -6.074 -0.811 1.00 0.00 H new ATOM 575 N HIS A 41 4.108 -9.995 -1.641 1.00 0.00 N ATOM 576 CA HIS A 41 2.966 -9.980 -2.548 1.00 0.00 C ATOM 577 C HIS A 41 1.799 -9.209 -1.939 1.00 0.00 C ATOM 578 O HIS A 41 1.072 -9.730 -1.094 1.00 0.00 O ATOM 579 CB HIS A 41 2.533 -11.408 -2.879 1.00 0.00 C ATOM 580 CG HIS A 41 2.336 -11.650 -4.344 1.00 0.00 C ATOM 581 ND1 HIS A 41 1.267 -12.356 -4.854 1.00 0.00 N ATOM 582 CD2 HIS A 41 3.080 -11.274 -5.411 1.00 0.00 C ATOM 583 CE1 HIS A 41 1.362 -12.404 -6.171 1.00 0.00 C ATOM 584 NE2 HIS A 41 2.453 -11.755 -6.534 1.00 0.00 N ATOM 0 H HIS A 41 3.878 -9.783 -0.670 1.00 0.00 H new ATOM 0 HA HIS A 41 3.269 -9.478 -3.467 1.00 0.00 H new ATOM 0 HB2 HIS A 41 3.283 -12.103 -2.502 1.00 0.00 H new ATOM 0 HB3 HIS A 41 1.603 -11.628 -2.355 1.00 0.00 H new ATOM 0 HD2 HIS A 41 3.996 -10.702 -5.384 1.00 0.00 H new ATOM 0 HE1 HIS A 41 0.666 -12.891 -6.837 1.00 0.00 H new ATOM 0 HE2 HIS A 41 2.777 -11.631 -7.493 1.00 0.00 H new ATOM 592 N GLY A 42 1.626 -7.965 -2.374 1.00 0.00 N ATOM 593 CA GLY A 42 0.546 -7.142 -1.860 1.00 0.00 C ATOM 594 C GLY A 42 1.027 -5.787 -1.380 1.00 0.00 C ATOM 595 O GLY A 42 2.195 -5.439 -1.554 1.00 0.00 O ATOM 0 H GLY A 42 2.214 -7.512 -3.073 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -0.203 -7.003 -2.639 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.057 -7.663 -1.037 1.00 0.00 H new ATOM 599 N ASP A 43 0.125 -5.021 -0.778 1.00 0.00 N ATOM 600 CA ASP A 43 0.464 -3.695 -0.272 1.00 0.00 C ATOM 601 C ASP A 43 0.991 -3.777 1.157 1.00 0.00 C ATOM 602 O ASP A 43 0.245 -4.076 2.089 1.00 0.00 O ATOM 603 CB ASP A 43 -0.759 -2.778 -0.325 1.00 0.00 C ATOM 604 CG ASP A 43 -1.981 -3.404 0.319 1.00 0.00 C ATOM 605 OD1 ASP A 43 -2.695 -4.161 -0.371 1.00 0.00 O ATOM 606 OD2 ASP A 43 -2.222 -3.137 1.515 1.00 0.00 O ATOM 0 H ASP A 43 -0.846 -5.294 -0.628 1.00 0.00 H new ATOM 0 HA ASP A 43 1.248 -3.281 -0.906 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -0.528 -1.839 0.178 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -0.983 -2.536 -1.364 1.00 0.00 H new ATOM 611 N TYR A 44 2.282 -3.511 1.321 1.00 0.00 N ATOM 612 CA TYR A 44 2.911 -3.558 2.636 1.00 0.00 C ATOM 613 C TYR A 44 3.977 -2.474 2.769 1.00 0.00 C ATOM 614 O TYR A 44 4.845 -2.333 1.909 1.00 0.00 O ATOM 615 CB TYR A 44 3.535 -4.934 2.877 1.00 0.00 C ATOM 616 CG TYR A 44 2.537 -6.069 2.824 1.00 0.00 C ATOM 617 CD1 TYR A 44 1.629 -6.270 3.857 1.00 0.00 C ATOM 618 CD2 TYR A 44 2.501 -6.939 1.742 1.00 0.00 C ATOM 619 CE1 TYR A 44 0.716 -7.306 3.813 1.00 0.00 C ATOM 620 CE2 TYR A 44 1.591 -7.976 1.689 1.00 0.00 C ATOM 621 CZ TYR A 44 0.701 -8.156 2.727 1.00 0.00 C ATOM 622 OH TYR A 44 -0.208 -9.188 2.679 1.00 0.00 O ATOM 0 H TYR A 44 2.913 -3.261 0.560 1.00 0.00 H new ATOM 0 HA TYR A 44 2.140 -3.379 3.386 1.00 0.00 H new ATOM 0 HB2 TYR A 44 4.310 -5.108 2.131 1.00 0.00 H new ATOM 0 HB3 TYR A 44 4.024 -4.936 3.851 1.00 0.00 H new ATOM 0 HD1 TYR A 44 1.637 -5.605 4.708 1.00 0.00 H new ATOM 0 HD2 TYR A 44 3.197 -6.802 0.928 1.00 0.00 H new ATOM 0 HE1 TYR A 44 0.018 -7.449 4.625 1.00 0.00 H new ATOM 0 HE2 TYR A 44 1.576 -8.643 0.839 1.00 0.00 H new ATOM 0 HH TYR A 44 -0.087 -9.692 1.847 1.00 0.00 H new ATOM 632 N ASP A 45 3.903 -1.712 3.855 1.00 0.00 N ATOM 633 CA ASP A 45 4.861 -0.641 4.104 1.00 0.00 C ATOM 634 C ASP A 45 6.278 -1.195 4.215 1.00 0.00 C ATOM 635 O ASP A 45 6.508 -2.386 4.009 1.00 0.00 O ATOM 636 CB ASP A 45 4.493 0.114 5.382 1.00 0.00 C ATOM 637 CG ASP A 45 3.020 0.468 5.441 1.00 0.00 C ATOM 638 OD1 ASP A 45 2.515 1.075 4.473 1.00 0.00 O ATOM 639 OD2 ASP A 45 2.371 0.138 6.456 1.00 0.00 O ATOM 0 H ASP A 45 3.190 -1.816 4.577 1.00 0.00 H new ATOM 0 HA ASP A 45 4.825 0.049 3.261 1.00 0.00 H new ATOM 0 HB2 ASP A 45 4.752 -0.495 6.248 1.00 0.00 H new ATOM 0 HB3 ASP A 45 5.086 1.026 5.445 1.00 0.00 H new ATOM 644 N VAL A 46 7.225 -0.321 4.541 1.00 0.00 N ATOM 645 CA VAL A 46 8.620 -0.722 4.680 1.00 0.00 C ATOM 646 C VAL A 46 8.783 -1.777 5.768 1.00 0.00 C ATOM 647 O VAL A 46 9.461 -2.785 5.573 1.00 0.00 O ATOM 648 CB VAL A 46 9.520 0.483 5.010 1.00 0.00 C ATOM 649 CG1 VAL A 46 8.993 1.225 6.229 1.00 0.00 C ATOM 650 CG2 VAL A 46 10.956 0.031 5.231 1.00 0.00 C ATOM 0 H VAL A 46 7.052 0.669 4.714 1.00 0.00 H new ATOM 0 HA VAL A 46 8.925 -1.142 3.722 1.00 0.00 H new ATOM 0 HB VAL A 46 9.505 1.168 4.162 1.00 0.00 H new ATOM 0 HG11 VAL A 46 9.642 2.073 6.447 1.00 0.00 H new ATOM 0 HG12 VAL A 46 7.983 1.583 6.029 1.00 0.00 H new ATOM 0 HG13 VAL A 46 8.976 0.551 7.086 1.00 0.00 H new ATOM 0 HG21 VAL A 46 11.578 0.896 5.463 1.00 0.00 H new ATOM 0 HG22 VAL A 46 10.992 -0.675 6.061 1.00 0.00 H new ATOM 0 HG23 VAL A 46 11.329 -0.452 4.328 1.00 0.00 H new ATOM 660 N GLU A 47 8.155 -1.539 6.916 1.00 0.00 N ATOM 661 CA GLU A 47 8.231 -2.469 8.035 1.00 0.00 C ATOM 662 C GLU A 47 7.377 -3.707 7.773 1.00 0.00 C ATOM 663 O GLU A 47 7.854 -4.837 7.878 1.00 0.00 O ATOM 664 CB GLU A 47 7.775 -1.786 9.327 1.00 0.00 C ATOM 665 CG GLU A 47 8.716 -0.691 9.801 1.00 0.00 C ATOM 666 CD GLU A 47 7.992 0.428 10.523 1.00 0.00 C ATOM 667 OE1 GLU A 47 7.344 1.251 9.844 1.00 0.00 O ATOM 668 OE2 GLU A 47 8.073 0.480 11.768 1.00 0.00 O ATOM 0 H GLU A 47 7.588 -0.710 7.094 1.00 0.00 H new ATOM 0 HA GLU A 47 9.270 -2.781 8.144 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.784 -1.360 9.173 1.00 0.00 H new ATOM 0 HB3 GLU A 47 7.680 -2.537 10.111 1.00 0.00 H new ATOM 0 HG2 GLU A 47 9.464 -1.123 10.466 1.00 0.00 H new ATOM 0 HG3 GLU A 47 9.250 -0.280 8.944 1.00 0.00 H new ATOM 675 N SER A 48 6.112 -3.484 7.433 1.00 0.00 N ATOM 676 CA SER A 48 5.189 -4.580 7.160 1.00 0.00 C ATOM 677 C SER A 48 5.749 -5.506 6.084 1.00 0.00 C ATOM 678 O SER A 48 5.813 -6.721 6.266 1.00 0.00 O ATOM 679 CB SER A 48 3.830 -4.034 6.721 1.00 0.00 C ATOM 680 OG SER A 48 2.771 -4.793 7.278 1.00 0.00 O ATOM 0 H SER A 48 5.702 -2.555 7.340 1.00 0.00 H new ATOM 0 HA SER A 48 5.062 -5.153 8.079 1.00 0.00 H new ATOM 0 HB2 SER A 48 3.736 -2.993 7.029 1.00 0.00 H new ATOM 0 HB3 SER A 48 3.762 -4.052 5.633 1.00 0.00 H new ATOM 0 HG SER A 48 1.913 -4.423 6.983 1.00 0.00 H new ATOM 686 N GLY A 49 6.154 -4.921 4.960 1.00 0.00 N ATOM 687 CA GLY A 49 6.703 -5.707 3.871 1.00 0.00 C ATOM 688 C GLY A 49 7.999 -6.396 4.249 1.00 0.00 C ATOM 689 O GLY A 49 8.226 -7.550 3.883 1.00 0.00 O ATOM 0 H GLY A 49 6.111 -3.917 4.785 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.973 -6.456 3.564 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.877 -5.060 3.011 1.00 0.00 H new ATOM 693 N LEU A 50 8.852 -5.688 4.981 1.00 0.00 N ATOM 694 CA LEU A 50 10.134 -6.238 5.407 1.00 0.00 C ATOM 695 C LEU A 50 9.936 -7.511 6.224 1.00 0.00 C ATOM 696 O LEU A 50 10.532 -8.547 5.930 1.00 0.00 O ATOM 697 CB LEU A 50 10.906 -5.206 6.230 1.00 0.00 C ATOM 698 CG LEU A 50 11.911 -5.766 7.237 1.00 0.00 C ATOM 699 CD1 LEU A 50 12.934 -6.646 6.537 1.00 0.00 C ATOM 700 CD2 LEU A 50 12.601 -4.635 7.987 1.00 0.00 C ATOM 0 H LEU A 50 8.679 -4.732 5.292 1.00 0.00 H new ATOM 0 HA LEU A 50 10.709 -6.486 4.515 1.00 0.00 H new ATOM 0 HB2 LEU A 50 11.438 -4.548 5.543 1.00 0.00 H new ATOM 0 HB3 LEU A 50 10.187 -4.589 6.769 1.00 0.00 H new ATOM 0 HG LEU A 50 11.370 -6.377 7.959 1.00 0.00 H new ATOM 0 HD11 LEU A 50 13.641 -7.035 7.270 1.00 0.00 H new ATOM 0 HD12 LEU A 50 12.425 -7.476 6.047 1.00 0.00 H new ATOM 0 HD13 LEU A 50 13.470 -6.058 5.792 1.00 0.00 H new ATOM 0 HD21 LEU A 50 13.313 -5.052 8.699 1.00 0.00 H new ATOM 0 HD22 LEU A 50 13.129 -3.997 7.278 1.00 0.00 H new ATOM 0 HD23 LEU A 50 11.856 -4.045 8.521 1.00 0.00 H new ATOM 712 N GLN A 51 9.093 -7.426 7.248 1.00 0.00 N ATOM 713 CA GLN A 51 8.816 -8.572 8.106 1.00 0.00 C ATOM 714 C GLN A 51 8.159 -9.698 7.314 1.00 0.00 C ATOM 715 O GLN A 51 8.267 -10.869 7.678 1.00 0.00 O ATOM 716 CB GLN A 51 7.914 -8.158 9.270 1.00 0.00 C ATOM 717 CG GLN A 51 8.486 -7.029 10.112 1.00 0.00 C ATOM 718 CD GLN A 51 9.093 -7.520 11.411 1.00 0.00 C ATOM 719 OE1 GLN A 51 8.481 -7.413 12.475 1.00 0.00 O ATOM 720 NE2 GLN A 51 10.302 -8.062 11.333 1.00 0.00 N ATOM 0 H GLN A 51 8.590 -6.576 7.504 1.00 0.00 H new ATOM 0 HA GLN A 51 9.764 -8.936 8.502 1.00 0.00 H new ATOM 0 HB2 GLN A 51 6.945 -7.851 8.876 1.00 0.00 H new ATOM 0 HB3 GLN A 51 7.739 -9.024 9.909 1.00 0.00 H new ATOM 0 HG2 GLN A 51 9.247 -6.501 9.537 1.00 0.00 H new ATOM 0 HG3 GLN A 51 7.697 -6.310 10.333 1.00 0.00 H new ATOM 0 HE21 GLN A 51 10.773 -8.131 10.431 1.00 0.00 H new ATOM 0 HE22 GLN A 51 10.760 -8.410 12.175 1.00 0.00 H new ATOM 729 N GLN A 52 7.480 -9.335 6.231 1.00 0.00 N ATOM 730 CA GLN A 52 6.805 -10.316 5.389 1.00 0.00 C ATOM 731 C GLN A 52 7.814 -11.130 4.586 1.00 0.00 C ATOM 732 O GLN A 52 7.566 -12.288 4.249 1.00 0.00 O ATOM 733 CB GLN A 52 5.826 -9.619 4.443 1.00 0.00 C ATOM 734 CG GLN A 52 4.367 -9.910 4.756 1.00 0.00 C ATOM 735 CD GLN A 52 4.083 -11.393 4.893 1.00 0.00 C ATOM 736 OE1 GLN A 52 3.629 -11.855 5.940 1.00 0.00 O ATOM 737 NE2 GLN A 52 4.351 -12.147 3.834 1.00 0.00 N ATOM 0 H GLN A 52 7.383 -8.370 5.916 1.00 0.00 H new ATOM 0 HA GLN A 52 6.252 -10.995 6.038 1.00 0.00 H new ATOM 0 HB2 GLN A 52 5.992 -8.543 4.490 1.00 0.00 H new ATOM 0 HB3 GLN A 52 6.039 -9.929 3.420 1.00 0.00 H new ATOM 0 HG2 GLN A 52 4.090 -9.404 5.681 1.00 0.00 H new ATOM 0 HG3 GLN A 52 3.740 -9.496 3.966 1.00 0.00 H new ATOM 0 HE21 GLN A 52 4.727 -11.721 2.987 1.00 0.00 H new ATOM 0 HE22 GLN A 52 4.181 -13.152 3.868 1.00 0.00 H new ATOM 746 N LEU A 53 8.953 -10.517 4.282 1.00 0.00 N ATOM 747 CA LEU A 53 10.001 -11.185 3.518 1.00 0.00 C ATOM 748 C LEU A 53 10.724 -12.220 4.374 1.00 0.00 C ATOM 749 O LEU A 53 10.828 -13.388 3.998 1.00 0.00 O ATOM 750 CB LEU A 53 11.002 -10.159 2.984 1.00 0.00 C ATOM 751 CG LEU A 53 11.102 -10.048 1.462 1.00 0.00 C ATOM 752 CD1 LEU A 53 9.721 -10.119 0.830 1.00 0.00 C ATOM 753 CD2 LEU A 53 11.806 -8.758 1.066 1.00 0.00 C ATOM 0 H LEU A 53 9.174 -9.559 4.553 1.00 0.00 H new ATOM 0 HA LEU A 53 9.533 -11.699 2.678 1.00 0.00 H new ATOM 0 HB2 LEU A 53 10.736 -9.180 3.383 1.00 0.00 H new ATOM 0 HB3 LEU A 53 11.989 -10.406 3.376 1.00 0.00 H new ATOM 0 HG LEU A 53 11.691 -10.888 1.094 1.00 0.00 H new ATOM 0 HD11 LEU A 53 9.812 -10.038 -0.253 1.00 0.00 H new ATOM 0 HD12 LEU A 53 9.253 -11.070 1.085 1.00 0.00 H new ATOM 0 HD13 LEU A 53 9.107 -9.300 1.204 1.00 0.00 H new ATOM 0 HD21 LEU A 53 11.868 -8.696 -0.020 1.00 0.00 H new ATOM 0 HD22 LEU A 53 11.244 -7.905 1.447 1.00 0.00 H new ATOM 0 HD23 LEU A 53 12.811 -8.748 1.488 1.00 0.00 H new ATOM 765 N LEU A 54 11.219 -11.784 5.527 1.00 0.00 N ATOM 766 CA LEU A 54 11.931 -12.674 6.438 1.00 0.00 C ATOM 767 C LEU A 54 10.954 -13.526 7.241 1.00 0.00 C ATOM 768 O LEU A 54 11.360 -14.411 7.995 1.00 0.00 O ATOM 769 CB LEU A 54 12.816 -11.862 7.387 1.00 0.00 C ATOM 770 CG LEU A 54 12.291 -11.691 8.812 1.00 0.00 C ATOM 771 CD1 LEU A 54 13.194 -10.758 9.605 1.00 0.00 C ATOM 772 CD2 LEU A 54 10.863 -11.166 8.795 1.00 0.00 C ATOM 0 H LEU A 54 11.141 -10.821 5.853 1.00 0.00 H new ATOM 0 HA LEU A 54 12.559 -13.337 5.843 1.00 0.00 H new ATOM 0 HB2 LEU A 54 13.795 -12.339 7.437 1.00 0.00 H new ATOM 0 HB3 LEU A 54 12.965 -10.872 6.955 1.00 0.00 H new ATOM 0 HG LEU A 54 12.293 -12.666 9.299 1.00 0.00 H new ATOM 0 HD11 LEU A 54 12.805 -10.648 10.617 1.00 0.00 H new ATOM 0 HD12 LEU A 54 14.201 -11.174 9.647 1.00 0.00 H new ATOM 0 HD13 LEU A 54 13.225 -9.782 9.120 1.00 0.00 H new ATOM 0 HD21 LEU A 54 10.506 -11.050 9.818 1.00 0.00 H new ATOM 0 HD22 LEU A 54 10.836 -10.200 8.290 1.00 0.00 H new ATOM 0 HD23 LEU A 54 10.223 -11.871 8.264 1.00 0.00 H new ATOM 784 N ASP A 55 9.664 -13.255 7.073 1.00 0.00 N ATOM 785 CA ASP A 55 8.628 -13.999 7.779 1.00 0.00 C ATOM 786 C ASP A 55 8.882 -15.501 7.691 1.00 0.00 C ATOM 787 O ASP A 55 8.854 -16.083 6.608 1.00 0.00 O ATOM 788 CB ASP A 55 7.250 -13.668 7.203 1.00 0.00 C ATOM 789 CG ASP A 55 6.215 -14.726 7.532 1.00 0.00 C ATOM 790 OD1 ASP A 55 5.938 -14.932 8.732 1.00 0.00 O ATOM 791 OD2 ASP A 55 5.684 -15.350 6.590 1.00 0.00 O ATOM 0 H ASP A 55 9.311 -12.525 6.454 1.00 0.00 H new ATOM 0 HA ASP A 55 8.655 -13.705 8.828 1.00 0.00 H new ATOM 0 HB2 ASP A 55 6.918 -12.706 7.593 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.327 -13.564 6.121 1.00 0.00 H new ATOM 796 N GLY A 56 9.131 -16.122 8.840 1.00 0.00 N ATOM 797 CA GLY A 56 9.388 -17.550 8.871 1.00 0.00 C ATOM 798 C GLY A 56 10.563 -17.909 9.759 1.00 0.00 C ATOM 799 O GLY A 56 10.789 -19.082 10.056 1.00 0.00 O ATOM 0 H GLY A 56 9.159 -15.662 9.750 1.00 0.00 H new ATOM 0 HA2 GLY A 56 8.497 -18.069 9.225 1.00 0.00 H new ATOM 0 HA3 GLY A 56 9.581 -17.903 7.858 1.00 0.00 H new ATOM 803 N SER A 57 11.313 -16.897 10.182 1.00 0.00 N ATOM 804 CA SER A 57 12.475 -17.112 11.036 1.00 0.00 C ATOM 805 C SER A 57 12.227 -16.565 12.439 1.00 0.00 C ATOM 806 O SER A 57 12.674 -17.140 13.430 1.00 0.00 O ATOM 807 CB SER A 57 13.712 -16.448 10.429 1.00 0.00 C ATOM 808 OG SER A 57 13.393 -15.180 9.882 1.00 0.00 O ATOM 0 H SER A 57 11.137 -15.920 9.947 1.00 0.00 H new ATOM 0 HA SER A 57 12.647 -18.186 11.108 1.00 0.00 H new ATOM 0 HB2 SER A 57 14.480 -16.335 11.194 1.00 0.00 H new ATOM 0 HB3 SER A 57 14.128 -17.089 9.652 1.00 0.00 H new ATOM 0 HG SER A 57 14.200 -14.775 9.502 1.00 0.00 H new ATOM 814 N GLY A 58 11.510 -15.447 12.512 1.00 0.00 N ATOM 815 CA GLY A 58 11.214 -14.839 13.796 1.00 0.00 C ATOM 816 C GLY A 58 12.410 -14.118 14.386 1.00 0.00 C ATOM 817 O GLY A 58 13.158 -14.689 15.181 1.00 0.00 O ATOM 0 H GLY A 58 11.129 -14.952 11.705 1.00 0.00 H new ATOM 0 HA2 GLY A 58 10.390 -14.135 13.680 1.00 0.00 H new ATOM 0 HA3 GLY A 58 10.879 -15.609 14.491 1.00 0.00 H new ATOM 821 N LEU A 59 12.593 -12.862 13.995 1.00 0.00 N ATOM 822 CA LEU A 59 13.709 -12.062 14.489 1.00 0.00 C ATOM 823 C LEU A 59 13.244 -10.663 14.881 1.00 0.00 C ATOM 824 O LEU A 59 12.089 -10.299 14.662 1.00 0.00 O ATOM 825 CB LEU A 59 14.805 -11.968 13.426 1.00 0.00 C ATOM 826 CG LEU A 59 15.765 -13.156 13.346 1.00 0.00 C ATOM 827 CD1 LEU A 59 15.350 -14.102 12.229 1.00 0.00 C ATOM 828 CD2 LEU A 59 17.193 -12.675 13.137 1.00 0.00 C ATOM 0 H LEU A 59 11.984 -12.375 13.338 1.00 0.00 H new ATOM 0 HA LEU A 59 14.112 -12.553 15.375 1.00 0.00 H new ATOM 0 HB2 LEU A 59 14.330 -11.844 12.453 1.00 0.00 H new ATOM 0 HB3 LEU A 59 15.389 -11.067 13.613 1.00 0.00 H new ATOM 0 HG LEU A 59 15.721 -13.699 14.290 1.00 0.00 H new ATOM 0 HD11 LEU A 59 16.044 -14.941 12.186 1.00 0.00 H new ATOM 0 HD12 LEU A 59 14.343 -14.473 12.422 1.00 0.00 H new ATOM 0 HD13 LEU A 59 15.365 -13.570 11.278 1.00 0.00 H new ATOM 0 HD21 LEU A 59 17.862 -13.534 13.083 1.00 0.00 H new ATOM 0 HD22 LEU A 59 17.254 -12.108 12.208 1.00 0.00 H new ATOM 0 HD23 LEU A 59 17.488 -12.038 13.971 1.00 0.00 H new ATOM 840 N GLN A 60 14.152 -9.884 15.459 1.00 0.00 N ATOM 841 CA GLN A 60 13.835 -8.524 15.880 1.00 0.00 C ATOM 842 C GLN A 60 14.519 -7.502 14.978 1.00 0.00 C ATOM 843 O GLN A 60 15.643 -7.714 14.523 1.00 0.00 O ATOM 844 CB GLN A 60 14.259 -8.305 17.333 1.00 0.00 C ATOM 845 CG GLN A 60 15.757 -8.109 17.507 1.00 0.00 C ATOM 846 CD GLN A 60 16.318 -8.904 18.669 1.00 0.00 C ATOM 847 OE1 GLN A 60 16.347 -8.428 19.805 1.00 0.00 O ATOM 848 NE2 GLN A 60 16.767 -10.122 18.392 1.00 0.00 N ATOM 0 H GLN A 60 15.113 -10.171 15.647 1.00 0.00 H new ATOM 0 HA GLN A 60 12.757 -8.388 15.800 1.00 0.00 H new ATOM 0 HB2 GLN A 60 13.739 -7.432 17.727 1.00 0.00 H new ATOM 0 HB3 GLN A 60 13.941 -9.161 17.928 1.00 0.00 H new ATOM 0 HG2 GLN A 60 16.267 -8.404 16.590 1.00 0.00 H new ATOM 0 HG3 GLN A 60 15.966 -7.050 17.662 1.00 0.00 H new ATOM 0 HE21 GLN A 60 16.724 -10.476 17.437 1.00 0.00 H new ATOM 0 HE22 GLN A 60 17.155 -10.703 19.135 1.00 0.00 H new ATOM 857 N VAL A 61 13.834 -6.391 14.724 1.00 0.00 N ATOM 858 CA VAL A 61 14.376 -5.335 13.878 1.00 0.00 C ATOM 859 C VAL A 61 14.345 -3.989 14.592 1.00 0.00 C ATOM 860 O VAL A 61 13.290 -3.527 15.026 1.00 0.00 O ATOM 861 CB VAL A 61 13.595 -5.220 12.555 1.00 0.00 C ATOM 862 CG1 VAL A 61 14.384 -4.410 11.538 1.00 0.00 C ATOM 863 CG2 VAL A 61 13.265 -6.601 12.010 1.00 0.00 C ATOM 0 H VAL A 61 12.902 -6.199 15.092 1.00 0.00 H new ATOM 0 HA VAL A 61 15.410 -5.603 13.659 1.00 0.00 H new ATOM 0 HB VAL A 61 12.658 -4.699 12.750 1.00 0.00 H new ATOM 0 HG11 VAL A 61 13.817 -4.339 10.610 1.00 0.00 H new ATOM 0 HG12 VAL A 61 14.564 -3.409 11.930 1.00 0.00 H new ATOM 0 HG13 VAL A 61 15.338 -4.900 11.344 1.00 0.00 H new ATOM 0 HG21 VAL A 61 12.713 -6.501 11.075 1.00 0.00 H new ATOM 0 HG22 VAL A 61 14.189 -7.151 11.829 1.00 0.00 H new ATOM 0 HG23 VAL A 61 12.656 -7.142 12.734 1.00 0.00 H new ATOM 873 N LYS A 62 15.511 -3.362 14.711 1.00 0.00 N ATOM 874 CA LYS A 62 15.620 -2.066 15.371 1.00 0.00 C ATOM 875 C LYS A 62 16.513 -1.122 14.572 1.00 0.00 C ATOM 876 O LYS A 62 17.536 -1.520 14.014 1.00 0.00 O ATOM 877 CB LYS A 62 16.176 -2.237 16.786 1.00 0.00 C ATOM 878 CG LYS A 62 17.364 -3.181 16.863 1.00 0.00 C ATOM 879 CD LYS A 62 16.944 -4.570 17.312 1.00 0.00 C ATOM 880 CE LYS A 62 16.857 -4.664 18.828 1.00 0.00 C ATOM 881 NZ LYS A 62 18.120 -5.180 19.425 1.00 0.00 N ATOM 0 H LYS A 62 16.394 -3.731 14.359 1.00 0.00 H new ATOM 0 HA LYS A 62 14.622 -1.631 15.430 1.00 0.00 H new ATOM 0 HB2 LYS A 62 16.472 -1.261 17.171 1.00 0.00 H new ATOM 0 HB3 LYS A 62 15.384 -2.609 17.436 1.00 0.00 H new ATOM 0 HG2 LYS A 62 17.844 -3.243 15.887 1.00 0.00 H new ATOM 0 HG3 LYS A 62 18.103 -2.781 17.557 1.00 0.00 H new ATOM 0 HD2 LYS A 62 15.977 -4.818 16.875 1.00 0.00 H new ATOM 0 HD3 LYS A 62 17.659 -5.305 16.941 1.00 0.00 H new ATOM 0 HE2 LYS A 62 16.636 -3.680 19.241 1.00 0.00 H new ATOM 0 HE3 LYS A 62 16.031 -5.319 19.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 18.020 -5.229 20.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 18.318 -6.130 19.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 18.905 -4.542 19.183 1.00 0.00 H new ATOM 895 N PRO A 63 16.120 0.159 14.516 1.00 0.00 N ATOM 896 CA PRO A 63 16.873 1.187 13.791 1.00 0.00 C ATOM 897 C PRO A 63 18.199 1.520 14.466 1.00 0.00 C ATOM 898 O PRO A 63 18.394 1.235 15.648 1.00 0.00 O ATOM 899 CB PRO A 63 15.938 2.398 13.820 1.00 0.00 C ATOM 900 CG PRO A 63 15.088 2.192 15.026 1.00 0.00 C ATOM 901 CD PRO A 63 14.912 0.704 15.158 1.00 0.00 C ATOM 0 HA PRO A 63 17.141 0.862 12.786 1.00 0.00 H new ATOM 0 HB2 PRO A 63 16.499 3.330 13.886 1.00 0.00 H new ATOM 0 HB3 PRO A 63 15.334 2.453 12.915 1.00 0.00 H new ATOM 0 HG2 PRO A 63 15.563 2.609 15.914 1.00 0.00 H new ATOM 0 HG3 PRO A 63 14.125 2.691 14.915 1.00 0.00 H new ATOM 0 HD2 PRO A 63 14.839 0.399 16.202 1.00 0.00 H new ATOM 0 HD3 PRO A 63 14.004 0.361 14.662 1.00 0.00 H new ATOM 909 N LEU A 64 19.107 2.126 13.709 1.00 0.00 N ATOM 910 CA LEU A 64 20.416 2.499 14.236 1.00 0.00 C ATOM 911 C LEU A 64 20.676 3.989 14.040 1.00 0.00 C ATOM 912 O LEU A 64 20.843 4.732 15.007 1.00 0.00 O ATOM 913 CB LEU A 64 21.514 1.684 13.551 1.00 0.00 C ATOM 914 CG LEU A 64 21.147 0.249 13.170 1.00 0.00 C ATOM 915 CD1 LEU A 64 22.253 -0.383 12.341 1.00 0.00 C ATOM 916 CD2 LEU A 64 20.872 -0.580 14.417 1.00 0.00 C ATOM 0 H LEU A 64 18.962 2.370 12.729 1.00 0.00 H new ATOM 0 HA LEU A 64 20.426 2.284 15.305 1.00 0.00 H new ATOM 0 HB2 LEU A 64 21.820 2.211 12.648 1.00 0.00 H new ATOM 0 HB3 LEU A 64 22.381 1.653 14.211 1.00 0.00 H new ATOM 0 HG LEU A 64 20.239 0.274 12.567 1.00 0.00 H new ATOM 0 HD11 LEU A 64 21.974 -1.404 12.080 1.00 0.00 H new ATOM 0 HD12 LEU A 64 22.402 0.197 11.430 1.00 0.00 H new ATOM 0 HD13 LEU A 64 23.178 -0.396 12.918 1.00 0.00 H new ATOM 0 HD21 LEU A 64 20.612 -1.598 14.127 1.00 0.00 H new ATOM 0 HD22 LEU A 64 21.762 -0.598 15.046 1.00 0.00 H new ATOM 0 HD23 LEU A 64 20.044 -0.139 14.972 1.00 0.00 H new ATOM 928 N GLY A 65 20.708 4.420 12.783 1.00 0.00 N ATOM 929 CA GLY A 65 20.946 5.819 12.484 1.00 0.00 C ATOM 930 C GLY A 65 19.964 6.371 11.469 1.00 0.00 C ATOM 931 O GLY A 65 18.770 6.479 11.747 1.00 0.00 O ATOM 0 H GLY A 65 20.573 3.824 11.966 1.00 0.00 H new ATOM 0 HA2 GLY A 65 20.878 6.400 13.404 1.00 0.00 H new ATOM 0 HA3 GLY A 65 21.961 5.939 12.105 1.00 0.00 H new ATOM 935 N ASN A 66 20.467 6.723 10.291 1.00 0.00 N ATOM 936 CA ASN A 66 19.626 7.269 9.232 1.00 0.00 C ATOM 937 C ASN A 66 18.753 6.180 8.615 1.00 0.00 C ATOM 938 O ASN A 66 19.164 5.498 7.678 1.00 0.00 O ATOM 939 CB ASN A 66 20.490 7.920 8.150 1.00 0.00 C ATOM 940 CG ASN A 66 19.919 9.241 7.672 1.00 0.00 C ATOM 941 OD1 ASN A 66 20.536 10.293 7.839 1.00 0.00 O ATOM 942 ND2 ASN A 66 18.735 9.191 7.073 1.00 0.00 N ATOM 0 H ASN A 66 21.453 6.640 10.045 1.00 0.00 H new ATOM 0 HA ASN A 66 18.976 8.025 9.672 1.00 0.00 H new ATOM 0 HB2 ASN A 66 21.495 8.081 8.540 1.00 0.00 H new ATOM 0 HB3 ASN A 66 20.582 7.239 7.304 1.00 0.00 H new ATOM 0 HD21 ASN A 66 18.301 10.048 6.729 1.00 0.00 H new ATOM 0 HD22 ASN A 66 18.260 8.296 6.956 1.00 0.00 H new ATOM 949 N ASN A 67 17.546 6.024 9.149 1.00 0.00 N ATOM 950 CA ASN A 67 16.614 5.018 8.651 1.00 0.00 C ATOM 951 C ASN A 67 17.324 3.689 8.415 1.00 0.00 C ATOM 952 O ASN A 67 16.959 2.929 7.518 1.00 0.00 O ATOM 953 CB ASN A 67 15.960 5.497 7.353 1.00 0.00 C ATOM 954 CG ASN A 67 14.476 5.189 7.306 1.00 0.00 C ATOM 955 OD1 ASN A 67 13.650 6.085 7.132 1.00 0.00 O ATOM 956 ND2 ASN A 67 14.131 3.916 7.462 1.00 0.00 N ATOM 0 H ASN A 67 17.190 6.581 9.926 1.00 0.00 H new ATOM 0 HA ASN A 67 15.842 4.868 9.406 1.00 0.00 H new ATOM 0 HB2 ASN A 67 16.109 6.572 7.249 1.00 0.00 H new ATOM 0 HB3 ASN A 67 16.454 5.024 6.504 1.00 0.00 H new ATOM 0 HD21 ASN A 67 13.147 3.648 7.440 1.00 0.00 H new ATOM 0 HD22 ASN A 67 14.850 3.206 7.604 1.00 0.00 H new ATOM 963 N SER A 68 18.341 3.414 9.226 1.00 0.00 N ATOM 964 CA SER A 68 19.104 2.178 9.104 1.00 0.00 C ATOM 965 C SER A 68 18.613 1.135 10.104 1.00 0.00 C ATOM 966 O SER A 68 18.767 1.299 11.314 1.00 0.00 O ATOM 967 CB SER A 68 20.594 2.450 9.324 1.00 0.00 C ATOM 968 OG SER A 68 20.848 3.840 9.428 1.00 0.00 O ATOM 0 H SER A 68 18.655 4.031 9.975 1.00 0.00 H new ATOM 0 HA SER A 68 18.958 1.788 8.097 1.00 0.00 H new ATOM 0 HB2 SER A 68 20.929 1.947 10.231 1.00 0.00 H new ATOM 0 HB3 SER A 68 21.169 2.033 8.497 1.00 0.00 H new ATOM 0 HG SER A 68 21.806 3.988 9.570 1.00 0.00 H new ATOM 974 N TRP A 69 18.022 0.064 9.588 1.00 0.00 N ATOM 975 CA TRP A 69 17.507 -1.007 10.435 1.00 0.00 C ATOM 976 C TRP A 69 18.421 -2.227 10.385 1.00 0.00 C ATOM 977 O TRP A 69 19.126 -2.448 9.400 1.00 0.00 O ATOM 978 CB TRP A 69 16.094 -1.395 9.998 1.00 0.00 C ATOM 979 CG TRP A 69 15.130 -0.248 10.016 1.00 0.00 C ATOM 980 CD1 TRP A 69 15.224 0.913 9.303 1.00 0.00 C ATOM 981 CD2 TRP A 69 13.928 -0.150 10.788 1.00 0.00 C ATOM 982 NE1 TRP A 69 14.153 1.726 9.584 1.00 0.00 N ATOM 983 CE2 TRP A 69 13.343 1.097 10.492 1.00 0.00 C ATOM 984 CE3 TRP A 69 13.288 -0.995 11.699 1.00 0.00 C ATOM 985 CZ2 TRP A 69 12.150 1.516 11.076 1.00 0.00 C ATOM 986 CZ3 TRP A 69 12.105 -0.577 12.277 1.00 0.00 C ATOM 987 CH2 TRP A 69 11.545 0.669 11.964 1.00 0.00 C ATOM 0 H TRP A 69 17.887 -0.087 8.588 1.00 0.00 H new ATOM 0 HA TRP A 69 17.475 -0.642 11.462 1.00 0.00 H new ATOM 0 HB2 TRP A 69 16.134 -1.810 8.991 1.00 0.00 H new ATOM 0 HB3 TRP A 69 15.722 -2.183 10.653 1.00 0.00 H new ATOM 0 HD1 TRP A 69 16.023 1.156 8.619 1.00 0.00 H new ATOM 0 HE1 TRP A 69 13.988 2.649 9.182 1.00 0.00 H new ATOM 0 HE3 TRP A 69 13.711 -1.957 11.947 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 11.718 2.476 10.836 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 11.603 -1.222 12.983 1.00 0.00 H new ATOM 0 HH2 TRP A 69 10.618 0.966 12.433 1.00 0.00 H new ATOM 998 N THR A 70 18.404 -3.017 11.454 1.00 0.00 N ATOM 999 CA THR A 70 19.232 -4.214 11.533 1.00 0.00 C ATOM 1000 C THR A 70 18.440 -5.395 12.081 1.00 0.00 C ATOM 1001 O THR A 70 17.506 -5.219 12.865 1.00 0.00 O ATOM 1002 CB THR A 70 20.470 -3.983 12.420 1.00 0.00 C ATOM 1003 OG1 THR A 70 21.358 -5.103 12.323 1.00 0.00 O ATOM 1004 CG2 THR A 70 20.064 -3.777 13.872 1.00 0.00 C ATOM 0 H THR A 70 17.826 -2.849 12.277 1.00 0.00 H new ATOM 0 HA THR A 70 19.559 -4.440 10.518 1.00 0.00 H new ATOM 0 HB THR A 70 20.978 -3.085 12.070 1.00 0.00 H new ATOM 0 HG1 THR A 70 21.366 -5.435 11.401 1.00 0.00 H new ATOM 0 HG21 THR A 70 20.955 -3.616 14.479 1.00 0.00 H new ATOM 0 HG22 THR A 70 19.411 -2.907 13.947 1.00 0.00 H new ATOM 0 HG23 THR A 70 19.535 -4.660 14.231 1.00 0.00 H new ATOM 1012 N LEU A 71 18.819 -6.599 11.667 1.00 0.00 N ATOM 1013 CA LEU A 71 18.144 -7.811 12.118 1.00 0.00 C ATOM 1014 C LEU A 71 19.007 -8.574 13.118 1.00 0.00 C ATOM 1015 O LEU A 71 20.190 -8.810 12.878 1.00 0.00 O ATOM 1016 CB LEU A 71 17.812 -8.708 10.924 1.00 0.00 C ATOM 1017 CG LEU A 71 16.366 -8.660 10.430 1.00 0.00 C ATOM 1018 CD1 LEU A 71 15.418 -9.175 11.503 1.00 0.00 C ATOM 1019 CD2 LEU A 71 15.990 -7.244 10.019 1.00 0.00 C ATOM 0 H LEU A 71 19.590 -6.762 11.020 1.00 0.00 H new ATOM 0 HA LEU A 71 17.218 -7.519 12.613 1.00 0.00 H new ATOM 0 HB2 LEU A 71 18.467 -8.435 10.097 1.00 0.00 H new ATOM 0 HB3 LEU A 71 18.049 -9.738 11.192 1.00 0.00 H new ATOM 0 HG LEU A 71 16.279 -9.306 9.556 1.00 0.00 H new ATOM 0 HD11 LEU A 71 14.393 -9.133 11.134 1.00 0.00 H new ATOM 0 HD12 LEU A 71 15.673 -10.206 11.750 1.00 0.00 H new ATOM 0 HD13 LEU A 71 15.507 -8.555 12.395 1.00 0.00 H new ATOM 0 HD21 LEU A 71 14.957 -7.228 9.670 1.00 0.00 H new ATOM 0 HD22 LEU A 71 16.094 -6.577 10.875 1.00 0.00 H new ATOM 0 HD23 LEU A 71 16.649 -6.911 9.217 1.00 0.00 H new ATOM 1031 N GLU A 72 18.404 -8.960 14.239 1.00 0.00 N ATOM 1032 CA GLU A 72 19.118 -9.698 15.274 1.00 0.00 C ATOM 1033 C GLU A 72 18.339 -10.943 15.689 1.00 0.00 C ATOM 1034 O GLU A 72 17.125 -11.037 15.506 1.00 0.00 O ATOM 1035 CB GLU A 72 19.361 -8.805 16.493 1.00 0.00 C ATOM 1036 CG GLU A 72 20.603 -7.938 16.373 1.00 0.00 C ATOM 1037 CD GLU A 72 21.884 -8.721 16.587 1.00 0.00 C ATOM 1038 OE1 GLU A 72 22.182 -9.064 17.750 1.00 0.00 O ATOM 1039 OE2 GLU A 72 22.589 -8.989 15.592 1.00 0.00 O ATOM 0 H GLU A 72 17.424 -8.774 14.453 1.00 0.00 H new ATOM 0 HA GLU A 72 20.079 -10.011 14.865 1.00 0.00 H new ATOM 0 HB2 GLU A 72 18.493 -8.163 16.642 1.00 0.00 H new ATOM 0 HB3 GLU A 72 19.450 -9.432 17.380 1.00 0.00 H new ATOM 0 HG2 GLU A 72 20.625 -7.476 15.386 1.00 0.00 H new ATOM 0 HG3 GLU A 72 20.549 -7.130 17.103 1.00 0.00 H new