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= -4.68! C(o=-5.8!,f=-6.2!) USER MOD Set 1.2: A 21 SER OG : rot 77:sc= -1.13 USER MOD Single : A 2 GLN : amide:sc= -2.53 K(o=-2.5,f=-3.3!) USER MOD Single : A 4 ASN : amide:sc= -0.119 K(o=-0.12,f=-0.72) USER MOD Single : A 9 SER OG : rot 54:sc= 1.26 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= -1.07 K(o=-1.1,f=-0.51) USER MOD Single : A 16 GLN : amide:sc= -0.425 K(o=-0.42,f=-1.7!) USER MOD Single : A 17 TYR OH : rot 171:sc= -3.52! 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 45:sc= -0.271 USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 HIS : no HD1:sc= -0.189 X(o=-0.19,f=-0.003) 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 K(o=0,f=-2.3!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.375 X(o=-0.38,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 158:sc= -0.104 (180deg=-0.701) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 ASN : amide:sc= -1.38 K(o=-1.4,f=-0.019) USER MOD Single : A 68 SER OG : rot 180:sc= 0.186 USER MOD Single : A 70 THR OG1 : rot 42:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 11 N GLN A 2 1.619 -1.716 -3.126 1.00 0.00 N ATOM 12 CA GLN A 2 1.652 -3.058 -3.695 1.00 0.00 C ATOM 13 C GLN A 2 3.057 -3.415 -4.166 1.00 0.00 C ATOM 14 O GLN A 2 3.631 -2.734 -5.016 1.00 0.00 O ATOM 15 CB GLN A 2 0.668 -3.164 -4.862 1.00 0.00 C ATOM 16 CG GLN A 2 0.735 -4.494 -5.595 1.00 0.00 C ATOM 17 CD GLN A 2 0.238 -5.651 -4.751 1.00 0.00 C ATOM 18 OE1 GLN A 2 -0.799 -5.556 -4.095 1.00 0.00 O ATOM 19 NE2 GLN A 2 0.978 -6.754 -4.764 1.00 0.00 N ATOM 0 HA GLN A 2 1.359 -3.763 -2.917 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -0.345 -3.016 -4.487 1.00 0.00 H new ATOM 0 HB3 GLN A 2 0.867 -2.359 -5.569 1.00 0.00 H new ATOM 0 HG2 GLN A 2 0.141 -4.433 -6.507 1.00 0.00 H new ATOM 0 HG3 GLN A 2 1.764 -4.686 -5.898 1.00 0.00 H new ATOM 0 HE21 GLN A 2 1.831 -6.789 -5.322 1.00 0.00 H new ATOM 0 HE22 GLN A 2 0.693 -7.566 -4.216 1.00 0.00 H new ATOM 28 N VAL A 3 3.608 -4.488 -3.607 1.00 0.00 N ATOM 29 CA VAL A 3 4.947 -4.937 -3.970 1.00 0.00 C ATOM 30 C VAL A 3 4.991 -6.450 -4.144 1.00 0.00 C ATOM 31 O VAL A 3 4.654 -7.201 -3.230 1.00 0.00 O ATOM 32 CB VAL A 3 5.985 -4.523 -2.909 1.00 0.00 C ATOM 33 CG1 VAL A 3 7.358 -5.073 -3.262 1.00 0.00 C ATOM 34 CG2 VAL A 3 6.028 -3.009 -2.768 1.00 0.00 C ATOM 0 H VAL A 3 3.148 -5.062 -2.901 1.00 0.00 H new ATOM 0 HA VAL A 3 5.195 -4.458 -4.917 1.00 0.00 H new ATOM 0 HB VAL A 3 5.687 -4.946 -1.950 1.00 0.00 H new ATOM 0 HG11 VAL A 3 8.078 -4.770 -2.501 1.00 0.00 H new ATOM 0 HG12 VAL A 3 7.314 -6.161 -3.307 1.00 0.00 H new ATOM 0 HG13 VAL A 3 7.668 -4.682 -4.231 1.00 0.00 H new ATOM 0 HG21 VAL A 3 6.766 -2.735 -2.015 1.00 0.00 H new ATOM 0 HG22 VAL A 3 6.302 -2.562 -3.724 1.00 0.00 H new ATOM 0 HG23 VAL A 3 5.047 -2.644 -2.464 1.00 0.00 H new ATOM 44 N ASN A 4 5.409 -6.892 -5.326 1.00 0.00 N ATOM 45 CA ASN A 4 5.497 -8.318 -5.622 1.00 0.00 C ATOM 46 C ASN A 4 6.936 -8.722 -5.929 1.00 0.00 C ATOM 47 O ASN A 4 7.496 -8.328 -6.953 1.00 0.00 O ATOM 48 CB ASN A 4 4.593 -8.672 -6.803 1.00 0.00 C ATOM 49 CG ASN A 4 4.543 -7.570 -7.844 1.00 0.00 C ATOM 50 OD1 ASN A 4 3.889 -6.546 -7.649 1.00 0.00 O ATOM 51 ND2 ASN A 4 5.237 -7.777 -8.957 1.00 0.00 N ATOM 0 H ASN A 4 5.692 -6.284 -6.094 1.00 0.00 H new ATOM 0 HA ASN A 4 5.164 -8.867 -4.741 1.00 0.00 H new ATOM 0 HB2 ASN A 4 4.950 -9.591 -7.268 1.00 0.00 H new ATOM 0 HB3 ASN A 4 3.585 -8.870 -6.439 1.00 0.00 H new ATOM 0 HD21 ASN A 4 5.242 -7.071 -9.694 1.00 0.00 H new ATOM 0 HD22 ASN A 4 5.765 -8.642 -9.075 1.00 0.00 H new ATOM 58 N ILE A 5 7.527 -9.509 -5.037 1.00 0.00 N ATOM 59 CA ILE A 5 8.900 -9.968 -5.214 1.00 0.00 C ATOM 60 C ILE A 5 8.974 -11.491 -5.220 1.00 0.00 C ATOM 61 O ILE A 5 8.328 -12.157 -4.412 1.00 0.00 O ATOM 62 CB ILE A 5 9.822 -9.424 -4.108 1.00 0.00 C ATOM 63 CG1 ILE A 5 9.786 -7.894 -4.089 1.00 0.00 C ATOM 64 CG2 ILE A 5 11.245 -9.923 -4.311 1.00 0.00 C ATOM 65 CD1 ILE A 5 10.224 -7.295 -2.771 1.00 0.00 C ATOM 0 H ILE A 5 7.077 -9.842 -4.184 1.00 0.00 H new ATOM 0 HA ILE A 5 9.239 -9.587 -6.177 1.00 0.00 H new ATOM 0 HB ILE A 5 9.463 -9.789 -3.145 1.00 0.00 H new ATOM 0 HG12 ILE A 5 10.429 -7.514 -4.883 1.00 0.00 H new ATOM 0 HG13 ILE A 5 8.773 -7.560 -4.312 1.00 0.00 H new ATOM 0 HG21 ILE A 5 11.885 -9.530 -3.521 1.00 0.00 H new ATOM 0 HG22 ILE A 5 11.257 -11.012 -4.279 1.00 0.00 H new ATOM 0 HG23 ILE A 5 11.615 -9.585 -5.279 1.00 0.00 H new ATOM 0 HD11 ILE A 5 10.173 -6.208 -2.831 1.00 0.00 H new ATOM 0 HD12 ILE A 5 9.567 -7.646 -1.976 1.00 0.00 H new ATOM 0 HD13 ILE A 5 11.248 -7.599 -2.556 1.00 0.00 H new ATOM 77 N ALA A 6 9.768 -12.036 -6.136 1.00 0.00 N ATOM 78 CA ALA A 6 9.931 -13.480 -6.244 1.00 0.00 C ATOM 79 C ALA A 6 11.052 -13.976 -5.337 1.00 0.00 C ATOM 80 O ALA A 6 12.152 -13.422 -5.310 1.00 0.00 O ATOM 81 CB ALA A 6 10.204 -13.874 -7.688 1.00 0.00 C ATOM 0 H ALA A 6 10.308 -11.499 -6.814 1.00 0.00 H new ATOM 0 HA ALA A 6 9.003 -13.950 -5.920 1.00 0.00 H new ATOM 0 HB1 ALA A 6 10.324 -14.955 -7.754 1.00 0.00 H new ATOM 0 HB2 ALA A 6 9.368 -13.563 -8.314 1.00 0.00 H new ATOM 0 HB3 ALA A 6 11.116 -13.387 -8.032 1.00 0.00 H new ATOM 87 N PRO A 7 10.771 -15.043 -4.576 1.00 0.00 N ATOM 88 CA PRO A 7 11.744 -15.637 -3.654 1.00 0.00 C ATOM 89 C PRO A 7 12.884 -16.337 -4.386 1.00 0.00 C ATOM 90 O PRO A 7 13.100 -16.114 -5.576 1.00 0.00 O ATOM 91 CB PRO A 7 10.912 -16.651 -2.865 1.00 0.00 C ATOM 92 CG PRO A 7 9.781 -17.000 -3.770 1.00 0.00 C ATOM 93 CD PRO A 7 9.481 -15.754 -4.557 1.00 0.00 C ATOM 0 HA PRO A 7 12.227 -14.884 -3.031 1.00 0.00 H new ATOM 0 HB2 PRO A 7 11.500 -17.532 -2.609 1.00 0.00 H new ATOM 0 HB3 PRO A 7 10.552 -16.225 -1.928 1.00 0.00 H new ATOM 0 HG2 PRO A 7 10.050 -17.824 -4.431 1.00 0.00 H new ATOM 0 HG3 PRO A 7 8.909 -17.321 -3.200 1.00 0.00 H new ATOM 0 HD2 PRO A 7 9.136 -15.988 -5.564 1.00 0.00 H new ATOM 0 HD3 PRO A 7 8.701 -15.158 -4.084 1.00 0.00 H new ATOM 101 N GLY A 8 13.611 -17.186 -3.665 1.00 0.00 N ATOM 102 CA GLY A 8 14.720 -17.906 -4.263 1.00 0.00 C ATOM 103 C GLY A 8 16.065 -17.331 -3.868 1.00 0.00 C ATOM 104 O GLY A 8 17.103 -17.757 -4.374 1.00 0.00 O ATOM 0 H GLY A 8 13.451 -17.388 -2.678 1.00 0.00 H new ATOM 0 HA2 GLY A 8 14.674 -18.953 -3.963 1.00 0.00 H new ATOM 0 HA3 GLY A 8 14.622 -17.881 -5.348 1.00 0.00 H new ATOM 108 N SER A 9 16.048 -16.358 -2.962 1.00 0.00 N ATOM 109 CA SER A 9 17.276 -15.720 -2.503 1.00 0.00 C ATOM 110 C SER A 9 16.973 -14.635 -1.473 1.00 0.00 C ATOM 111 O SER A 9 16.416 -13.587 -1.804 1.00 0.00 O ATOM 112 CB SER A 9 18.036 -15.117 -3.686 1.00 0.00 C ATOM 113 OG SER A 9 18.996 -16.028 -4.193 1.00 0.00 O ATOM 0 H SER A 9 15.198 -15.995 -2.532 1.00 0.00 H new ATOM 0 HA SER A 9 17.897 -16.482 -2.031 1.00 0.00 H new ATOM 0 HB2 SER A 9 17.333 -14.848 -4.475 1.00 0.00 H new ATOM 0 HB3 SER A 9 18.532 -14.198 -3.373 1.00 0.00 H new ATOM 0 HG SER A 9 18.560 -16.880 -4.402 1.00 0.00 H new ATOM 119 N LEU A 10 17.343 -14.895 -0.224 1.00 0.00 N ATOM 120 CA LEU A 10 17.111 -13.941 0.856 1.00 0.00 C ATOM 121 C LEU A 10 17.786 -12.607 0.558 1.00 0.00 C ATOM 122 O LEU A 10 17.178 -11.546 0.704 1.00 0.00 O ATOM 123 CB LEU A 10 17.630 -14.505 2.180 1.00 0.00 C ATOM 124 CG LEU A 10 17.149 -13.795 3.446 1.00 0.00 C ATOM 125 CD1 LEU A 10 17.338 -14.688 4.663 1.00 0.00 C ATOM 126 CD2 LEU A 10 17.884 -12.476 3.630 1.00 0.00 C ATOM 0 H LEU A 10 17.804 -15.757 0.066 1.00 0.00 H new ATOM 0 HA LEU A 10 16.037 -13.773 0.936 1.00 0.00 H new ATOM 0 HB2 LEU A 10 17.341 -15.554 2.243 1.00 0.00 H new ATOM 0 HB3 LEU A 10 18.719 -14.475 2.162 1.00 0.00 H new ATOM 0 HG LEU A 10 16.085 -13.582 3.339 1.00 0.00 H new ATOM 0 HD11 LEU A 10 16.990 -14.166 5.555 1.00 0.00 H new ATOM 0 HD12 LEU A 10 16.765 -15.606 4.533 1.00 0.00 H new ATOM 0 HD13 LEU A 10 18.394 -14.932 4.774 1.00 0.00 H new ATOM 0 HD21 LEU A 10 17.529 -11.985 4.536 1.00 0.00 H new ATOM 0 HD22 LEU A 10 18.954 -12.665 3.715 1.00 0.00 H new ATOM 0 HD23 LEU A 10 17.697 -11.832 2.771 1.00 0.00 H new ATOM 138 N ASP A 11 19.045 -12.667 0.139 1.00 0.00 N ATOM 139 CA ASP A 11 19.803 -11.463 -0.182 1.00 0.00 C ATOM 140 C ASP A 11 19.078 -10.631 -1.235 1.00 0.00 C ATOM 141 O ASP A 11 18.925 -9.418 -1.086 1.00 0.00 O ATOM 142 CB ASP A 11 21.201 -11.832 -0.680 1.00 0.00 C ATOM 143 CG ASP A 11 21.842 -10.720 -1.486 1.00 0.00 C ATOM 144 OD1 ASP A 11 22.099 -9.642 -0.910 1.00 0.00 O ATOM 145 OD2 ASP A 11 22.084 -10.926 -2.694 1.00 0.00 O ATOM 0 H ASP A 11 19.563 -13.537 0.014 1.00 0.00 H new ATOM 0 HA ASP A 11 19.895 -10.868 0.727 1.00 0.00 H new ATOM 0 HB2 ASP A 11 21.836 -12.070 0.173 1.00 0.00 H new ATOM 0 HB3 ASP A 11 21.139 -12.731 -1.293 1.00 0.00 H new ATOM 150 N LYS A 12 18.635 -11.289 -2.301 1.00 0.00 N ATOM 151 CA LYS A 12 17.927 -10.611 -3.380 1.00 0.00 C ATOM 152 C LYS A 12 16.583 -10.076 -2.896 1.00 0.00 C ATOM 153 O LYS A 12 16.247 -8.915 -3.129 1.00 0.00 O ATOM 154 CB LYS A 12 17.714 -11.566 -4.557 1.00 0.00 C ATOM 155 CG LYS A 12 16.315 -11.503 -5.145 1.00 0.00 C ATOM 156 CD LYS A 12 16.222 -12.284 -6.446 1.00 0.00 C ATOM 157 CE LYS A 12 15.048 -13.251 -6.432 1.00 0.00 C ATOM 158 NZ LYS A 12 14.290 -13.222 -7.714 1.00 0.00 N ATOM 0 H LYS A 12 18.754 -12.292 -2.441 1.00 0.00 H new ATOM 0 HA LYS A 12 18.536 -9.769 -3.709 1.00 0.00 H new ATOM 0 HB2 LYS A 12 18.438 -11.334 -5.338 1.00 0.00 H new ATOM 0 HB3 LYS A 12 17.915 -12.585 -4.228 1.00 0.00 H new ATOM 0 HG2 LYS A 12 15.599 -11.903 -4.427 1.00 0.00 H new ATOM 0 HG3 LYS A 12 16.040 -10.463 -5.323 1.00 0.00 H new ATOM 0 HD2 LYS A 12 16.114 -11.591 -7.281 1.00 0.00 H new ATOM 0 HD3 LYS A 12 17.148 -12.836 -6.607 1.00 0.00 H new ATOM 0 HE2 LYS A 12 15.412 -14.262 -6.248 1.00 0.00 H new ATOM 0 HE3 LYS A 12 14.379 -12.999 -5.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 13.498 -13.894 -7.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 13.921 -12.264 -7.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 14.921 -13.488 -8.497 1.00 0.00 H new ATOM 172 N ALA A 13 15.819 -10.929 -2.222 1.00 0.00 N ATOM 173 CA ALA A 13 14.514 -10.540 -1.702 1.00 0.00 C ATOM 174 C ALA A 13 14.620 -9.296 -0.828 1.00 0.00 C ATOM 175 O ALA A 13 13.669 -8.520 -0.717 1.00 0.00 O ATOM 176 CB ALA A 13 13.895 -11.688 -0.918 1.00 0.00 C ATOM 0 H ALA A 13 16.081 -11.894 -2.023 1.00 0.00 H new ATOM 0 HA ALA A 13 13.869 -10.303 -2.548 1.00 0.00 H new ATOM 0 HB1 ALA A 13 12.921 -11.384 -0.535 1.00 0.00 H new ATOM 0 HB2 ALA A 13 13.774 -12.552 -1.572 1.00 0.00 H new ATOM 0 HB3 ALA A 13 14.546 -11.952 -0.084 1.00 0.00 H new ATOM 182 N LEU A 14 15.780 -9.110 -0.209 1.00 0.00 N ATOM 183 CA LEU A 14 16.010 -7.959 0.657 1.00 0.00 C ATOM 184 C LEU A 14 16.133 -6.678 -0.161 1.00 0.00 C ATOM 185 O LEU A 14 15.401 -5.715 0.061 1.00 0.00 O ATOM 186 CB LEU A 14 17.275 -8.168 1.492 1.00 0.00 C ATOM 187 CG LEU A 14 18.046 -6.903 1.870 1.00 0.00 C ATOM 188 CD1 LEU A 14 17.178 -5.980 2.711 1.00 0.00 C ATOM 189 CD2 LEU A 14 19.324 -7.260 2.614 1.00 0.00 C ATOM 0 H LEU A 14 16.577 -9.742 -0.291 1.00 0.00 H new ATOM 0 HA LEU A 14 15.154 -7.861 1.324 1.00 0.00 H new ATOM 0 HB2 LEU A 14 16.999 -8.689 2.409 1.00 0.00 H new ATOM 0 HB3 LEU A 14 17.946 -8.827 0.940 1.00 0.00 H new ATOM 0 HG LEU A 14 18.317 -6.378 0.954 1.00 0.00 H new ATOM 0 HD11 LEU A 14 17.744 -5.085 2.970 1.00 0.00 H new ATOM 0 HD12 LEU A 14 16.291 -5.697 2.143 1.00 0.00 H new ATOM 0 HD13 LEU A 14 16.876 -6.495 3.623 1.00 0.00 H new ATOM 0 HD21 LEU A 14 19.860 -6.348 2.875 1.00 0.00 H new ATOM 0 HD22 LEU A 14 19.075 -7.807 3.523 1.00 0.00 H new ATOM 0 HD23 LEU A 14 19.954 -7.881 1.978 1.00 0.00 H new ATOM 201 N ASN A 15 17.062 -6.676 -1.111 1.00 0.00 N ATOM 202 CA ASN A 15 17.280 -5.514 -1.965 1.00 0.00 C ATOM 203 C ASN A 15 16.016 -5.170 -2.748 1.00 0.00 C ATOM 204 O ASN A 15 15.757 -4.004 -3.045 1.00 0.00 O ATOM 205 CB ASN A 15 18.437 -5.774 -2.932 1.00 0.00 C ATOM 206 CG ASN A 15 17.959 -6.073 -4.340 1.00 0.00 C ATOM 207 OD1 ASN A 15 17.821 -5.169 -5.165 1.00 0.00 O ATOM 208 ND2 ASN A 15 17.702 -7.345 -4.620 1.00 0.00 N ATOM 0 H ASN A 15 17.676 -7.466 -1.309 1.00 0.00 H new ATOM 0 HA ASN A 15 17.533 -4.668 -1.326 1.00 0.00 H new ATOM 0 HB2 ASN A 15 19.093 -4.904 -2.951 1.00 0.00 H new ATOM 0 HB3 ASN A 15 19.030 -6.612 -2.567 1.00 0.00 H new ATOM 0 HD21 ASN A 15 17.376 -7.607 -5.550 1.00 0.00 H new ATOM 0 HD22 ASN A 15 17.831 -8.061 -3.905 1.00 0.00 H new ATOM 215 N GLN A 16 15.235 -6.193 -3.079 1.00 0.00 N ATOM 216 CA GLN A 16 13.999 -5.998 -3.827 1.00 0.00 C ATOM 217 C GLN A 16 13.041 -5.084 -3.069 1.00 0.00 C ATOM 218 O GLN A 16 12.602 -4.060 -3.591 1.00 0.00 O ATOM 219 CB GLN A 16 13.327 -7.345 -4.102 1.00 0.00 C ATOM 220 CG GLN A 16 14.140 -8.256 -5.007 1.00 0.00 C ATOM 221 CD GLN A 16 13.654 -8.238 -6.443 1.00 0.00 C ATOM 222 OE1 GLN A 16 12.883 -7.363 -6.839 1.00 0.00 O ATOM 223 NE2 GLN A 16 14.103 -9.207 -7.233 1.00 0.00 N ATOM 0 H GLN A 16 15.436 -7.164 -2.841 1.00 0.00 H new ATOM 0 HA GLN A 16 14.250 -5.524 -4.776 1.00 0.00 H new ATOM 0 HB2 GLN A 16 13.149 -7.853 -3.154 1.00 0.00 H new ATOM 0 HB3 GLN A 16 12.353 -7.169 -4.558 1.00 0.00 H new ATOM 0 HG2 GLN A 16 15.186 -7.951 -4.978 1.00 0.00 H new ATOM 0 HG3 GLN A 16 14.094 -9.276 -4.625 1.00 0.00 H new ATOM 0 HE21 GLN A 16 14.741 -9.912 -6.863 1.00 0.00 H new ATOM 0 HE22 GLN A 16 13.810 -9.246 -8.209 1.00 0.00 H new ATOM 232 N TYR A 17 12.722 -5.462 -1.837 1.00 0.00 N ATOM 233 CA TYR A 17 11.815 -4.678 -1.007 1.00 0.00 C ATOM 234 C TYR A 17 12.500 -3.416 -0.494 1.00 0.00 C ATOM 235 O TYR A 17 11.870 -2.368 -0.353 1.00 0.00 O ATOM 236 CB TYR A 17 11.315 -5.516 0.171 1.00 0.00 C ATOM 237 CG TYR A 17 12.163 -5.378 1.415 1.00 0.00 C ATOM 238 CD1 TYR A 17 11.955 -4.335 2.309 1.00 0.00 C ATOM 239 CD2 TYR A 17 13.171 -6.292 1.697 1.00 0.00 C ATOM 240 CE1 TYR A 17 12.728 -4.205 3.446 1.00 0.00 C ATOM 241 CE2 TYR A 17 13.948 -6.171 2.833 1.00 0.00 C ATOM 242 CZ TYR A 17 13.723 -5.126 3.704 1.00 0.00 C ATOM 243 OH TYR A 17 14.494 -5.000 4.837 1.00 0.00 O ATOM 0 H TYR A 17 13.078 -6.307 -1.390 1.00 0.00 H new ATOM 0 HA TYR A 17 10.964 -4.383 -1.621 1.00 0.00 H new ATOM 0 HB2 TYR A 17 10.291 -5.224 0.405 1.00 0.00 H new ATOM 0 HB3 TYR A 17 11.288 -6.565 -0.126 1.00 0.00 H new ATOM 0 HD1 TYR A 17 11.176 -3.614 2.111 1.00 0.00 H new ATOM 0 HD2 TYR A 17 13.350 -7.111 1.016 1.00 0.00 H new ATOM 0 HE1 TYR A 17 12.555 -3.387 4.130 1.00 0.00 H new ATOM 0 HE2 TYR A 17 14.727 -6.891 3.038 1.00 0.00 H new ATOM 0 HH TYR A 17 15.047 -5.801 4.947 1.00 0.00 H new ATOM 253 N ALA A 18 13.795 -3.524 -0.216 1.00 0.00 N ATOM 254 CA ALA A 18 14.567 -2.392 0.279 1.00 0.00 C ATOM 255 C ALA A 18 14.560 -1.242 -0.723 1.00 0.00 C ATOM 256 O ALA A 18 14.592 -0.073 -0.340 1.00 0.00 O ATOM 257 CB ALA A 18 15.995 -2.820 0.584 1.00 0.00 C ATOM 0 H ALA A 18 14.331 -4.385 -0.325 1.00 0.00 H new ATOM 0 HA ALA A 18 14.100 -2.040 1.199 1.00 0.00 H new ATOM 0 HB1 ALA A 18 16.560 -1.964 0.953 1.00 0.00 H new ATOM 0 HB2 ALA A 18 15.986 -3.603 1.342 1.00 0.00 H new ATOM 0 HB3 ALA A 18 16.463 -3.200 -0.324 1.00 0.00 H new ATOM 263 N ALA A 19 14.519 -1.582 -2.007 1.00 0.00 N ATOM 264 CA ALA A 19 14.507 -0.578 -3.063 1.00 0.00 C ATOM 265 C ALA A 19 13.132 0.069 -3.189 1.00 0.00 C ATOM 266 O ALA A 19 13.016 1.236 -3.566 1.00 0.00 O ATOM 267 CB ALA A 19 14.922 -1.201 -4.388 1.00 0.00 C ATOM 0 H ALA A 19 14.494 -2.545 -2.341 1.00 0.00 H new ATOM 0 HA ALA A 19 15.223 0.200 -2.799 1.00 0.00 H new ATOM 0 HB1 ALA A 19 14.909 -0.440 -5.168 1.00 0.00 H new ATOM 0 HB2 ALA A 19 15.928 -1.611 -4.298 1.00 0.00 H new ATOM 0 HB3 ALA A 19 14.227 -1.999 -4.648 1.00 0.00 H new ATOM 273 N HIS A 20 12.091 -0.695 -2.871 1.00 0.00 N ATOM 274 CA HIS A 20 10.723 -0.195 -2.949 1.00 0.00 C ATOM 275 C HIS A 20 10.404 0.702 -1.756 1.00 0.00 C ATOM 276 O HIS A 20 9.550 1.584 -1.842 1.00 0.00 O ATOM 277 CB HIS A 20 9.735 -1.359 -3.005 1.00 0.00 C ATOM 278 CG HIS A 20 8.912 -1.507 -1.762 1.00 0.00 C ATOM 279 ND1 HIS A 20 7.828 -0.704 -1.477 1.00 0.00 N ATOM 280 CD2 HIS A 20 9.019 -2.374 -0.728 1.00 0.00 C ATOM 281 CE1 HIS A 20 7.305 -1.069 -0.320 1.00 0.00 C ATOM 282 NE2 HIS A 20 8.009 -2.080 0.155 1.00 0.00 N ATOM 0 H HIS A 20 12.169 -1.662 -2.557 1.00 0.00 H new ATOM 0 HA HIS A 20 10.629 0.395 -3.861 1.00 0.00 H new ATOM 0 HB2 HIS A 20 9.070 -1.219 -3.857 1.00 0.00 H new ATOM 0 HB3 HIS A 20 10.285 -2.284 -3.179 1.00 0.00 H new ATOM 0 HD2 HIS A 20 9.760 -3.152 -0.618 1.00 0.00 H new ATOM 0 HE1 HIS A 20 6.447 -0.617 0.156 1.00 0.00 H new ATOM 0 HE2 HIS A 20 7.832 -2.564 1.035 1.00 0.00 H new ATOM 290 N SER A 21 11.095 0.469 -0.645 1.00 0.00 N ATOM 291 CA SER A 21 10.882 1.252 0.566 1.00 0.00 C ATOM 292 C SER A 21 11.646 2.571 0.501 1.00 0.00 C ATOM 293 O SER A 21 11.056 3.648 0.591 1.00 0.00 O ATOM 294 CB SER A 21 11.321 0.456 1.797 1.00 0.00 C ATOM 295 OG SER A 21 10.441 -0.627 2.044 1.00 0.00 O ATOM 0 H SER A 21 11.807 -0.256 -0.559 1.00 0.00 H new ATOM 0 HA SER A 21 9.817 1.472 0.645 1.00 0.00 H new ATOM 0 HB2 SER A 21 12.333 0.080 1.649 1.00 0.00 H new ATOM 0 HB3 SER A 21 11.349 1.112 2.667 1.00 0.00 H new ATOM 0 HG SER A 21 10.632 -1.354 1.415 1.00 0.00 H new ATOM 301 N GLY A 22 12.963 2.479 0.344 1.00 0.00 N ATOM 302 CA GLY A 22 13.787 3.671 0.270 1.00 0.00 C ATOM 303 C GLY A 22 14.616 3.882 1.521 1.00 0.00 C ATOM 304 O GLY A 22 14.980 5.011 1.852 1.00 0.00 O ATOM 0 H GLY A 22 13.474 1.600 0.267 1.00 0.00 H new ATOM 0 HA2 GLY A 22 14.449 3.598 -0.593 1.00 0.00 H new ATOM 0 HA3 GLY A 22 13.149 4.540 0.110 1.00 0.00 H new ATOM 308 N PHE A 23 14.915 2.792 2.221 1.00 0.00 N ATOM 309 CA PHE A 23 15.705 2.863 3.445 1.00 0.00 C ATOM 310 C PHE A 23 16.910 1.930 3.369 1.00 0.00 C ATOM 311 O PHE A 23 17.026 1.119 2.450 1.00 0.00 O ATOM 312 CB PHE A 23 14.842 2.502 4.656 1.00 0.00 C ATOM 313 CG PHE A 23 14.681 1.022 4.857 1.00 0.00 C ATOM 314 CD1 PHE A 23 13.994 0.254 3.931 1.00 0.00 C ATOM 315 CD2 PHE A 23 15.218 0.399 5.972 1.00 0.00 C ATOM 316 CE1 PHE A 23 13.845 -1.108 4.115 1.00 0.00 C ATOM 317 CE2 PHE A 23 15.072 -0.962 6.161 1.00 0.00 C ATOM 318 CZ PHE A 23 14.385 -1.717 5.230 1.00 0.00 C ATOM 0 H PHE A 23 14.622 1.850 1.962 1.00 0.00 H new ATOM 0 HA PHE A 23 16.066 3.886 3.556 1.00 0.00 H new ATOM 0 HB2 PHE A 23 15.287 2.936 5.551 1.00 0.00 H new ATOM 0 HB3 PHE A 23 13.857 2.954 4.538 1.00 0.00 H new ATOM 0 HD1 PHE A 23 13.570 0.724 3.056 1.00 0.00 H new ATOM 0 HD2 PHE A 23 15.757 0.984 6.702 1.00 0.00 H new ATOM 0 HE1 PHE A 23 13.306 -1.696 3.386 1.00 0.00 H new ATOM 0 HE2 PHE A 23 15.494 -1.435 7.035 1.00 0.00 H new ATOM 0 HZ PHE A 23 14.271 -2.781 5.374 1.00 0.00 H new ATOM 328 N THR A 24 17.807 2.052 4.343 1.00 0.00 N ATOM 329 CA THR A 24 19.005 1.222 4.387 1.00 0.00 C ATOM 330 C THR A 24 18.891 0.149 5.464 1.00 0.00 C ATOM 331 O THR A 24 18.250 0.356 6.495 1.00 0.00 O ATOM 332 CB THR A 24 20.265 2.068 4.651 1.00 0.00 C ATOM 333 OG1 THR A 24 20.283 3.205 3.781 1.00 0.00 O ATOM 334 CG2 THR A 24 21.525 1.242 4.441 1.00 0.00 C ATOM 0 H THR A 24 17.726 2.717 5.112 1.00 0.00 H new ATOM 0 HA THR A 24 19.095 0.745 3.411 1.00 0.00 H new ATOM 0 HB THR A 24 20.239 2.405 5.687 1.00 0.00 H new ATOM 0 HG1 THR A 24 21.086 3.738 3.956 1.00 0.00 H new ATOM 0 HG21 THR A 24 22.402 1.860 4.633 1.00 0.00 H new ATOM 0 HG22 THR A 24 21.522 0.394 5.125 1.00 0.00 H new ATOM 0 HG23 THR A 24 21.555 0.879 3.414 1.00 0.00 H new ATOM 342 N LEU A 25 19.518 -0.996 5.220 1.00 0.00 N ATOM 343 CA LEU A 25 19.488 -2.103 6.170 1.00 0.00 C ATOM 344 C LEU A 25 20.859 -2.761 6.283 1.00 0.00 C ATOM 345 O LEU A 25 21.520 -3.018 5.277 1.00 0.00 O ATOM 346 CB LEU A 25 18.446 -3.138 5.745 1.00 0.00 C ATOM 347 CG LEU A 25 18.260 -4.329 6.686 1.00 0.00 C ATOM 348 CD1 LEU A 25 16.994 -4.164 7.512 1.00 0.00 C ATOM 349 CD2 LEU A 25 18.218 -5.630 5.898 1.00 0.00 C ATOM 0 H LEU A 25 20.054 -1.183 4.372 1.00 0.00 H new ATOM 0 HA LEU A 25 19.216 -1.703 7.147 1.00 0.00 H new ATOM 0 HB2 LEU A 25 17.486 -2.634 5.636 1.00 0.00 H new ATOM 0 HB3 LEU A 25 18.721 -3.518 4.761 1.00 0.00 H new ATOM 0 HG LEU A 25 19.111 -4.366 7.366 1.00 0.00 H new ATOM 0 HD11 LEU A 25 16.878 -5.021 8.176 1.00 0.00 H new ATOM 0 HD12 LEU A 25 17.063 -3.252 8.105 1.00 0.00 H new ATOM 0 HD13 LEU A 25 16.132 -4.100 6.848 1.00 0.00 H new ATOM 0 HD21 LEU A 25 18.085 -6.467 6.584 1.00 0.00 H new ATOM 0 HD22 LEU A 25 17.386 -5.602 5.194 1.00 0.00 H new ATOM 0 HD23 LEU A 25 19.152 -5.754 5.351 1.00 0.00 H new ATOM 361 N SER A 26 21.280 -3.033 7.514 1.00 0.00 N ATOM 362 CA SER A 26 22.573 -3.660 7.759 1.00 0.00 C ATOM 363 C SER A 26 22.400 -5.017 8.434 1.00 0.00 C ATOM 364 O SER A 26 22.136 -5.097 9.634 1.00 0.00 O ATOM 365 CB SER A 26 23.448 -2.753 8.627 1.00 0.00 C ATOM 366 OG SER A 26 24.690 -2.489 7.999 1.00 0.00 O ATOM 0 H SER A 26 20.744 -2.829 8.357 1.00 0.00 H new ATOM 0 HA SER A 26 23.063 -3.812 6.797 1.00 0.00 H new ATOM 0 HB2 SER A 26 22.927 -1.815 8.818 1.00 0.00 H new ATOM 0 HB3 SER A 26 23.619 -3.225 9.594 1.00 0.00 H new ATOM 0 HG SER A 26 25.230 -1.906 8.573 1.00 0.00 H new ATOM 372 N VAL A 27 22.551 -6.083 7.654 1.00 0.00 N ATOM 373 CA VAL A 27 22.412 -7.437 8.176 1.00 0.00 C ATOM 374 C VAL A 27 23.573 -8.319 7.729 1.00 0.00 C ATOM 375 O VAL A 27 24.006 -8.258 6.579 1.00 0.00 O ATOM 376 CB VAL A 27 21.089 -8.081 7.722 1.00 0.00 C ATOM 377 CG1 VAL A 27 20.903 -7.919 6.221 1.00 0.00 C ATOM 378 CG2 VAL A 27 21.047 -9.549 8.117 1.00 0.00 C ATOM 0 H VAL A 27 22.769 -6.035 6.659 1.00 0.00 H new ATOM 0 HA VAL A 27 22.415 -7.359 9.263 1.00 0.00 H new ATOM 0 HB VAL A 27 20.267 -7.570 8.223 1.00 0.00 H new ATOM 0 HG11 VAL A 27 19.963 -8.380 5.919 1.00 0.00 H new ATOM 0 HG12 VAL A 27 20.884 -6.859 5.969 1.00 0.00 H new ATOM 0 HG13 VAL A 27 21.728 -8.402 5.698 1.00 0.00 H new ATOM 0 HG21 VAL A 27 20.105 -9.987 7.788 1.00 0.00 H new ATOM 0 HG22 VAL A 27 21.877 -10.076 7.646 1.00 0.00 H new ATOM 0 HG23 VAL A 27 21.129 -9.637 9.200 1.00 0.00 H new ATOM 388 N ASP A 28 24.072 -9.140 8.647 1.00 0.00 N ATOM 389 CA ASP A 28 25.182 -10.037 8.348 1.00 0.00 C ATOM 390 C ASP A 28 24.804 -11.022 7.248 1.00 0.00 C ATOM 391 O ASP A 28 24.212 -12.068 7.514 1.00 0.00 O ATOM 392 CB ASP A 28 25.605 -10.796 9.607 1.00 0.00 C ATOM 393 CG ASP A 28 25.987 -9.867 10.743 1.00 0.00 C ATOM 394 OD1 ASP A 28 26.200 -8.665 10.480 1.00 0.00 O ATOM 395 OD2 ASP A 28 26.072 -10.343 11.894 1.00 0.00 O ATOM 0 H ASP A 28 23.725 -9.203 9.604 1.00 0.00 H new ATOM 0 HA ASP A 28 26.020 -9.434 7.998 1.00 0.00 H new ATOM 0 HB2 ASP A 28 24.789 -11.443 9.929 1.00 0.00 H new ATOM 0 HB3 ASP A 28 26.450 -11.443 9.371 1.00 0.00 H new ATOM 524 N SER A 37 14.237 -17.005 1.143 1.00 0.00 N ATOM 525 CA SER A 37 13.214 -16.281 1.889 1.00 0.00 C ATOM 526 C SER A 37 11.978 -16.044 1.026 1.00 0.00 C ATOM 527 O SER A 37 12.080 -15.863 -0.186 1.00 0.00 O ATOM 528 CB SER A 37 13.767 -14.944 2.386 1.00 0.00 C ATOM 529 OG SER A 37 12.723 -14.091 2.822 1.00 0.00 O ATOM 0 HA SER A 37 12.926 -16.889 2.747 1.00 0.00 H new ATOM 0 HB2 SER A 37 14.465 -15.117 3.205 1.00 0.00 H new ATOM 0 HB3 SER A 37 14.327 -14.459 1.587 1.00 0.00 H new ATOM 0 HG SER A 37 12.095 -14.600 3.377 1.00 0.00 H new ATOM 535 N ASN A 38 10.811 -16.046 1.662 1.00 0.00 N ATOM 536 CA ASN A 38 9.554 -15.832 0.954 1.00 0.00 C ATOM 537 C ASN A 38 9.419 -14.378 0.514 1.00 0.00 C ATOM 538 O ASN A 38 9.445 -13.464 1.338 1.00 0.00 O ATOM 539 CB ASN A 38 8.371 -16.221 1.844 1.00 0.00 C ATOM 540 CG ASN A 38 7.036 -15.901 1.201 1.00 0.00 C ATOM 541 OD1 ASN A 38 6.218 -15.177 1.769 1.00 0.00 O ATOM 542 ND2 ASN A 38 6.808 -16.442 0.010 1.00 0.00 N ATOM 0 H ASN A 38 10.710 -16.193 2.666 1.00 0.00 H new ATOM 0 HA ASN A 38 9.553 -16.463 0.065 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.420 -17.288 2.063 1.00 0.00 H new ATOM 0 HB3 ASN A 38 8.448 -15.696 2.796 1.00 0.00 H new ATOM 0 HD21 ASN A 38 5.926 -16.263 -0.471 1.00 0.00 H new ATOM 0 HD22 ASN A 38 7.514 -17.036 -0.424 1.00 0.00 H new ATOM 549 N GLY A 39 9.273 -14.171 -0.791 1.00 0.00 N ATOM 550 CA GLY A 39 9.134 -12.826 -1.318 1.00 0.00 C ATOM 551 C GLY A 39 7.919 -12.109 -0.765 1.00 0.00 C ATOM 552 O GLY A 39 7.296 -12.573 0.191 1.00 0.00 O ATOM 0 H GLY A 39 9.248 -14.911 -1.493 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.030 -12.252 -1.081 1.00 0.00 H new ATOM 0 HA3 GLY A 39 9.062 -12.871 -2.405 1.00 0.00 H new ATOM 556 N LEU A 40 7.581 -10.972 -1.364 1.00 0.00 N ATOM 557 CA LEU A 40 6.432 -10.188 -0.925 1.00 0.00 C ATOM 558 C LEU A 40 5.301 -10.259 -1.945 1.00 0.00 C ATOM 559 O LEU A 40 5.530 -10.538 -3.123 1.00 0.00 O ATOM 560 CB LEU A 40 6.841 -8.731 -0.700 1.00 0.00 C ATOM 561 CG LEU A 40 5.769 -7.817 -0.106 1.00 0.00 C ATOM 562 CD1 LEU A 40 5.260 -8.378 1.213 1.00 0.00 C ATOM 563 CD2 LEU A 40 6.315 -6.409 0.087 1.00 0.00 C ATOM 0 H LEU A 40 8.086 -10.573 -2.155 1.00 0.00 H new ATOM 0 HA LEU A 40 6.074 -10.609 0.015 1.00 0.00 H new ATOM 0 HB2 LEU A 40 7.709 -8.716 -0.041 1.00 0.00 H new ATOM 0 HB3 LEU A 40 7.159 -8.312 -1.655 1.00 0.00 H new ATOM 0 HG LEU A 40 4.933 -7.769 -0.804 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.498 -7.714 1.621 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.830 -9.366 1.047 1.00 0.00 H new ATOM 0 HD13 LEU A 40 6.087 -8.457 1.918 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.538 -5.772 0.511 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.169 -6.439 0.764 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.630 -6.006 -0.875 1.00 0.00 H new ATOM 575 N HIS A 41 4.080 -10.002 -1.487 1.00 0.00 N ATOM 576 CA HIS A 41 2.913 -10.034 -2.361 1.00 0.00 C ATOM 577 C HIS A 41 1.751 -9.261 -1.744 1.00 0.00 C ATOM 578 O HIS A 41 1.061 -9.761 -0.858 1.00 0.00 O ATOM 579 CB HIS A 41 2.493 -11.478 -2.633 1.00 0.00 C ATOM 580 CG HIS A 41 2.127 -11.737 -4.062 1.00 0.00 C ATOM 581 ND1 HIS A 41 0.997 -12.434 -4.436 1.00 0.00 N ATOM 582 CD2 HIS A 41 2.748 -11.385 -5.213 1.00 0.00 C ATOM 583 CE1 HIS A 41 0.940 -12.501 -5.754 1.00 0.00 C ATOM 584 NE2 HIS A 41 1.991 -11.872 -6.249 1.00 0.00 N ATOM 0 H HIS A 41 3.873 -9.769 -0.516 1.00 0.00 H new ATOM 0 HA HIS A 41 3.183 -9.558 -3.304 1.00 0.00 H new ATOM 0 HB2 HIS A 41 3.308 -12.144 -2.349 1.00 0.00 H new ATOM 0 HB3 HIS A 41 1.642 -11.726 -1.998 1.00 0.00 H new ATOM 0 HD2 HIS A 41 3.668 -10.825 -5.299 1.00 0.00 H new ATOM 0 HE1 HIS A 41 0.166 -12.987 -6.329 1.00 0.00 H new ATOM 0 HE2 HIS A 41 2.205 -11.766 -7.241 1.00 0.00 H new ATOM 592 N GLY A 42 1.542 -8.037 -2.220 1.00 0.00 N ATOM 593 CA GLY A 42 0.464 -7.214 -1.703 1.00 0.00 C ATOM 594 C GLY A 42 0.938 -5.840 -1.274 1.00 0.00 C ATOM 595 O GLY A 42 2.074 -5.455 -1.547 1.00 0.00 O ATOM 0 H GLY A 42 2.100 -7.601 -2.954 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -0.306 -7.107 -2.467 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.002 -7.717 -0.854 1.00 0.00 H new ATOM 599 N ASP A 43 0.064 -5.098 -0.601 1.00 0.00 N ATOM 600 CA ASP A 43 0.399 -3.758 -0.134 1.00 0.00 C ATOM 601 C ASP A 43 0.931 -3.799 1.296 1.00 0.00 C ATOM 602 O ASP A 43 0.219 -4.188 2.222 1.00 0.00 O ATOM 603 CB ASP A 43 -0.827 -2.847 -0.210 1.00 0.00 C ATOM 604 CG ASP A 43 -2.046 -3.460 0.451 1.00 0.00 C ATOM 605 OD1 ASP A 43 -2.749 -4.248 -0.216 1.00 0.00 O ATOM 606 OD2 ASP A 43 -2.296 -3.153 1.635 1.00 0.00 O ATOM 0 H ASP A 43 -0.881 -5.402 -0.367 1.00 0.00 H new ATOM 0 HA ASP A 43 1.179 -3.358 -0.782 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -0.598 -1.895 0.268 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -1.053 -2.633 -1.255 1.00 0.00 H new ATOM 611 N TYR A 44 2.185 -3.395 1.467 1.00 0.00 N ATOM 612 CA TYR A 44 2.812 -3.389 2.783 1.00 0.00 C ATOM 613 C TYR A 44 3.891 -2.313 2.866 1.00 0.00 C ATOM 614 O TYR A 44 4.767 -2.229 2.005 1.00 0.00 O ATOM 615 CB TYR A 44 3.418 -4.759 3.089 1.00 0.00 C ATOM 616 CG TYR A 44 2.412 -5.887 3.056 1.00 0.00 C ATOM 617 CD1 TYR A 44 1.570 -6.126 4.135 1.00 0.00 C ATOM 618 CD2 TYR A 44 2.301 -6.714 1.944 1.00 0.00 C ATOM 619 CE1 TYR A 44 0.650 -7.156 4.110 1.00 0.00 C ATOM 620 CE2 TYR A 44 1.383 -7.745 1.909 1.00 0.00 C ATOM 621 CZ TYR A 44 0.560 -7.962 2.994 1.00 0.00 C ATOM 622 OH TYR A 44 -0.357 -8.988 2.964 1.00 0.00 O ATOM 0 H TYR A 44 2.787 -3.068 0.711 1.00 0.00 H new ATOM 0 HA TYR A 44 2.043 -3.166 3.523 1.00 0.00 H new ATOM 0 HB2 TYR A 44 4.208 -4.967 2.367 1.00 0.00 H new ATOM 0 HB3 TYR A 44 3.885 -4.729 4.073 1.00 0.00 H new ATOM 0 HD1 TYR A 44 1.636 -5.495 5.009 1.00 0.00 H new ATOM 0 HD2 TYR A 44 2.944 -6.547 1.093 1.00 0.00 H new ATOM 0 HE1 TYR A 44 0.005 -7.329 4.959 1.00 0.00 H new ATOM 0 HE2 TYR A 44 1.310 -8.378 1.037 1.00 0.00 H new ATOM 0 HH TYR A 44 -0.293 -9.459 2.107 1.00 0.00 H new ATOM 632 N ASP A 45 3.821 -1.494 3.909 1.00 0.00 N ATOM 633 CA ASP A 45 4.792 -0.424 4.108 1.00 0.00 C ATOM 634 C ASP A 45 6.207 -0.985 4.202 1.00 0.00 C ATOM 635 O ASP A 45 6.424 -2.184 4.028 1.00 0.00 O ATOM 636 CB ASP A 45 4.458 0.368 5.373 1.00 0.00 C ATOM 637 CG ASP A 45 4.675 1.859 5.197 1.00 0.00 C ATOM 638 OD1 ASP A 45 5.376 2.247 4.239 1.00 0.00 O ATOM 639 OD2 ASP A 45 4.144 2.636 6.017 1.00 0.00 O ATOM 0 H ASP A 45 3.102 -1.550 4.630 1.00 0.00 H new ATOM 0 HA ASP A 45 4.742 0.243 3.248 1.00 0.00 H new ATOM 0 HB2 ASP A 45 3.420 0.185 5.649 1.00 0.00 H new ATOM 0 HB3 ASP A 45 5.075 0.009 6.197 1.00 0.00 H new ATOM 644 N VAL A 46 7.168 -0.109 4.479 1.00 0.00 N ATOM 645 CA VAL A 46 8.563 -0.517 4.597 1.00 0.00 C ATOM 646 C VAL A 46 8.747 -1.528 5.723 1.00 0.00 C ATOM 647 O VAL A 46 9.412 -2.549 5.551 1.00 0.00 O ATOM 648 CB VAL A 46 9.482 0.693 4.853 1.00 0.00 C ATOM 649 CG1 VAL A 46 8.994 1.489 6.054 1.00 0.00 C ATOM 650 CG2 VAL A 46 10.919 0.237 5.054 1.00 0.00 C ATOM 0 H VAL A 46 7.006 0.887 4.626 1.00 0.00 H new ATOM 0 HA VAL A 46 8.839 -0.979 3.649 1.00 0.00 H new ATOM 0 HB VAL A 46 9.450 1.343 3.979 1.00 0.00 H new ATOM 0 HG11 VAL A 46 9.655 2.340 6.220 1.00 0.00 H new ATOM 0 HG12 VAL A 46 7.982 1.847 5.866 1.00 0.00 H new ATOM 0 HG13 VAL A 46 8.995 0.851 6.938 1.00 0.00 H new ATOM 0 HG21 VAL A 46 11.554 1.104 5.234 1.00 0.00 H new ATOM 0 HG22 VAL A 46 10.971 -0.435 5.911 1.00 0.00 H new ATOM 0 HG23 VAL A 46 11.263 -0.286 4.162 1.00 0.00 H new ATOM 660 N GLU A 47 8.151 -1.237 6.875 1.00 0.00 N ATOM 661 CA GLU A 47 8.250 -2.122 8.030 1.00 0.00 C ATOM 662 C GLU A 47 7.390 -3.367 7.836 1.00 0.00 C ATOM 663 O GLU A 47 7.871 -4.493 7.964 1.00 0.00 O ATOM 664 CB GLU A 47 7.823 -1.387 9.302 1.00 0.00 C ATOM 665 CG GLU A 47 8.749 -0.244 9.684 1.00 0.00 C ATOM 666 CD GLU A 47 7.995 0.992 10.134 1.00 0.00 C ATOM 667 OE1 GLU A 47 6.861 0.844 10.638 1.00 0.00 O ATOM 668 OE2 GLU A 47 8.537 2.107 9.983 1.00 0.00 O ATOM 0 H GLU A 47 7.595 -0.396 7.033 1.00 0.00 H new ATOM 0 HA GLU A 47 9.290 -2.432 8.130 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.815 -0.996 9.165 1.00 0.00 H new ATOM 0 HB3 GLU A 47 7.780 -2.099 10.126 1.00 0.00 H new ATOM 0 HG2 GLU A 47 9.413 -0.571 10.484 1.00 0.00 H new ATOM 0 HG3 GLU A 47 9.378 0.009 8.831 1.00 0.00 H new ATOM 675 N SER A 48 6.114 -3.156 7.528 1.00 0.00 N ATOM 676 CA SER A 48 5.185 -4.260 7.321 1.00 0.00 C ATOM 677 C SER A 48 5.708 -5.218 6.254 1.00 0.00 C ATOM 678 O SER A 48 5.777 -6.427 6.469 1.00 0.00 O ATOM 679 CB SER A 48 3.809 -3.728 6.914 1.00 0.00 C ATOM 680 OG SER A 48 2.774 -4.429 7.580 1.00 0.00 O ATOM 0 H SER A 48 5.700 -2.230 7.416 1.00 0.00 H new ATOM 0 HA SER A 48 5.093 -4.805 8.260 1.00 0.00 H new ATOM 0 HB2 SER A 48 3.742 -2.666 7.149 1.00 0.00 H new ATOM 0 HB3 SER A 48 3.683 -3.825 5.836 1.00 0.00 H new ATOM 0 HG SER A 48 1.905 -4.069 7.304 1.00 0.00 H new ATOM 686 N GLY A 49 6.075 -4.666 5.101 1.00 0.00 N ATOM 687 CA GLY A 49 6.587 -5.483 4.017 1.00 0.00 C ATOM 688 C GLY A 49 7.870 -6.200 4.388 1.00 0.00 C ATOM 689 O GLY A 49 8.034 -7.386 4.096 1.00 0.00 O ATOM 0 H GLY A 49 6.027 -3.667 4.899 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.833 -6.217 3.732 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.765 -4.854 3.145 1.00 0.00 H new ATOM 693 N LEU A 50 8.783 -5.481 5.030 1.00 0.00 N ATOM 694 CA LEU A 50 10.060 -6.055 5.440 1.00 0.00 C ATOM 695 C LEU A 50 9.850 -7.341 6.232 1.00 0.00 C ATOM 696 O LEU A 50 10.410 -8.385 5.899 1.00 0.00 O ATOM 697 CB LEU A 50 10.848 -5.048 6.280 1.00 0.00 C ATOM 698 CG LEU A 50 11.824 -5.641 7.298 1.00 0.00 C ATOM 699 CD1 LEU A 50 12.807 -6.576 6.612 1.00 0.00 C ATOM 700 CD2 LEU A 50 12.563 -4.534 8.035 1.00 0.00 C ATOM 0 H LEU A 50 8.663 -4.499 5.278 1.00 0.00 H new ATOM 0 HA LEU A 50 10.629 -6.293 4.541 1.00 0.00 H new ATOM 0 HB2 LEU A 50 11.407 -4.401 5.605 1.00 0.00 H new ATOM 0 HB3 LEU A 50 10.138 -4.415 6.813 1.00 0.00 H new ATOM 0 HG LEU A 50 11.254 -6.218 8.027 1.00 0.00 H new ATOM 0 HD11 LEU A 50 13.493 -6.988 7.351 1.00 0.00 H new ATOM 0 HD12 LEU A 50 12.262 -7.388 6.131 1.00 0.00 H new ATOM 0 HD13 LEU A 50 13.372 -6.023 5.861 1.00 0.00 H new ATOM 0 HD21 LEU A 50 13.253 -4.974 8.755 1.00 0.00 H new ATOM 0 HD22 LEU A 50 13.121 -3.930 7.320 1.00 0.00 H new ATOM 0 HD23 LEU A 50 11.845 -3.903 8.559 1.00 0.00 H new ATOM 712 N GLN A 51 9.037 -7.258 7.280 1.00 0.00 N ATOM 713 CA GLN A 51 8.751 -8.417 8.119 1.00 0.00 C ATOM 714 C GLN A 51 8.036 -9.503 7.321 1.00 0.00 C ATOM 715 O GLN A 51 8.097 -10.682 7.669 1.00 0.00 O ATOM 716 CB GLN A 51 7.899 -8.005 9.321 1.00 0.00 C ATOM 717 CG GLN A 51 8.507 -6.879 10.141 1.00 0.00 C ATOM 718 CD GLN A 51 9.165 -7.374 11.414 1.00 0.00 C ATOM 719 OE1 GLN A 51 8.634 -7.195 12.510 1.00 0.00 O ATOM 720 NE2 GLN A 51 10.328 -8.000 11.275 1.00 0.00 N ATOM 0 H GLN A 51 8.565 -6.401 7.569 1.00 0.00 H new ATOM 0 HA GLN A 51 9.699 -8.819 8.476 1.00 0.00 H new ATOM 0 HB2 GLN A 51 6.915 -7.696 8.969 1.00 0.00 H new ATOM 0 HB3 GLN A 51 7.750 -8.872 9.964 1.00 0.00 H new ATOM 0 HG2 GLN A 51 9.245 -6.352 9.536 1.00 0.00 H new ATOM 0 HG3 GLN A 51 7.729 -6.159 10.395 1.00 0.00 H new ATOM 0 HE21 GLN A 51 10.732 -8.126 10.347 1.00 0.00 H new ATOM 0 HE22 GLN A 51 10.818 -8.355 12.096 1.00 0.00 H new ATOM 729 N GLN A 52 7.359 -9.096 6.252 1.00 0.00 N ATOM 730 CA GLN A 52 6.632 -10.035 5.407 1.00 0.00 C ATOM 731 C GLN A 52 7.589 -10.819 4.515 1.00 0.00 C ATOM 732 O GLN A 52 7.289 -11.938 4.096 1.00 0.00 O ATOM 733 CB GLN A 52 5.608 -9.293 4.547 1.00 0.00 C ATOM 734 CG GLN A 52 4.220 -9.913 4.582 1.00 0.00 C ATOM 735 CD GLN A 52 4.165 -11.258 3.884 1.00 0.00 C ATOM 736 OE1 GLN A 52 4.459 -11.365 2.693 1.00 0.00 O ATOM 737 NE2 GLN A 52 3.786 -12.294 4.624 1.00 0.00 N ATOM 0 H GLN A 52 7.299 -8.123 5.951 1.00 0.00 H new ATOM 0 HA GLN A 52 6.110 -10.738 6.056 1.00 0.00 H new ATOM 0 HB2 GLN A 52 5.543 -8.259 4.885 1.00 0.00 H new ATOM 0 HB3 GLN A 52 5.961 -9.270 3.516 1.00 0.00 H new ATOM 0 HG2 GLN A 52 3.905 -10.033 5.619 1.00 0.00 H new ATOM 0 HG3 GLN A 52 3.510 -9.233 4.110 1.00 0.00 H new ATOM 0 HE21 GLN A 52 3.551 -12.160 5.608 1.00 0.00 H new ATOM 0 HE22 GLN A 52 3.730 -13.224 4.209 1.00 0.00 H new ATOM 746 N LEU A 53 8.742 -10.225 4.228 1.00 0.00 N ATOM 747 CA LEU A 53 9.744 -10.867 3.385 1.00 0.00 C ATOM 748 C LEU A 53 10.449 -11.992 4.137 1.00 0.00 C ATOM 749 O LEU A 53 10.471 -13.137 3.685 1.00 0.00 O ATOM 750 CB LEU A 53 10.770 -9.839 2.904 1.00 0.00 C ATOM 751 CG LEU A 53 10.533 -9.256 1.510 1.00 0.00 C ATOM 752 CD1 LEU A 53 9.959 -10.313 0.580 1.00 0.00 C ATOM 753 CD2 LEU A 53 9.607 -8.051 1.586 1.00 0.00 C ATOM 0 H LEU A 53 9.006 -9.300 4.567 1.00 0.00 H new ATOM 0 HA LEU A 53 9.235 -11.295 2.521 1.00 0.00 H new ATOM 0 HB2 LEU A 53 10.795 -9.018 3.620 1.00 0.00 H new ATOM 0 HB3 LEU A 53 11.755 -10.305 2.919 1.00 0.00 H new ATOM 0 HG LEU A 53 11.491 -8.928 1.107 1.00 0.00 H new ATOM 0 HD11 LEU A 53 9.797 -9.880 -0.407 1.00 0.00 H new ATOM 0 HD12 LEU A 53 10.658 -11.146 0.501 1.00 0.00 H new ATOM 0 HD13 LEU A 53 9.010 -10.672 0.979 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.450 -7.649 0.585 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.650 -8.354 2.010 1.00 0.00 H new ATOM 0 HD23 LEU A 53 10.057 -7.285 2.218 1.00 0.00 H new ATOM 765 N LEU A 54 11.022 -11.658 5.288 1.00 0.00 N ATOM 766 CA LEU A 54 11.726 -12.640 6.105 1.00 0.00 C ATOM 767 C LEU A 54 10.744 -13.475 6.920 1.00 0.00 C ATOM 768 O LEU A 54 11.137 -14.415 7.610 1.00 0.00 O ATOM 769 CB LEU A 54 12.715 -11.940 7.040 1.00 0.00 C ATOM 770 CG LEU A 54 12.210 -11.644 8.452 1.00 0.00 C ATOM 771 CD1 LEU A 54 10.781 -11.124 8.410 1.00 0.00 C ATOM 772 CD2 LEU A 54 12.300 -12.889 9.322 1.00 0.00 C ATOM 0 H LEU A 54 11.013 -10.715 5.676 1.00 0.00 H new ATOM 0 HA LEU A 54 12.274 -13.305 5.438 1.00 0.00 H new ATOM 0 HB2 LEU A 54 13.610 -12.558 7.118 1.00 0.00 H new ATOM 0 HB3 LEU A 54 13.016 -10.999 6.579 1.00 0.00 H new ATOM 0 HG LEU A 54 12.843 -10.872 8.889 1.00 0.00 H new ATOM 0 HD11 LEU A 54 10.439 -10.919 9.424 1.00 0.00 H new ATOM 0 HD12 LEU A 54 10.745 -10.207 7.822 1.00 0.00 H new ATOM 0 HD13 LEU A 54 10.134 -11.873 7.953 1.00 0.00 H new ATOM 0 HD21 LEU A 54 11.936 -12.660 10.324 1.00 0.00 H new ATOM 0 HD22 LEU A 54 11.691 -13.681 8.887 1.00 0.00 H new ATOM 0 HD23 LEU A 54 13.337 -13.219 9.379 1.00 0.00 H new ATOM 784 N ASP A 55 9.465 -13.127 6.832 1.00 0.00 N ATOM 785 CA ASP A 55 8.425 -13.846 7.558 1.00 0.00 C ATOM 786 C ASP A 55 8.579 -15.353 7.377 1.00 0.00 C ATOM 787 O ASP A 55 8.453 -15.871 6.268 1.00 0.00 O ATOM 788 CB ASP A 55 7.041 -13.402 7.083 1.00 0.00 C ATOM 789 CG ASP A 55 5.983 -14.465 7.307 1.00 0.00 C ATOM 790 OD1 ASP A 55 5.616 -14.700 8.477 1.00 0.00 O ATOM 791 OD2 ASP A 55 5.522 -15.061 6.311 1.00 0.00 O ATOM 0 H ASP A 55 9.124 -12.351 6.265 1.00 0.00 H new ATOM 0 HA ASP A 55 8.529 -13.613 8.618 1.00 0.00 H new ATOM 0 HB2 ASP A 55 6.754 -12.492 7.609 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.086 -13.156 6.022 1.00 0.00 H new ATOM 796 N GLY A 56 8.854 -16.052 8.475 1.00 0.00 N ATOM 797 CA GLY A 56 9.022 -17.492 8.415 1.00 0.00 C ATOM 798 C GLY A 56 9.948 -18.013 9.495 1.00 0.00 C ATOM 799 O GLY A 56 9.950 -19.205 9.800 1.00 0.00 O ATOM 0 H GLY A 56 8.963 -15.646 9.404 1.00 0.00 H new ATOM 0 HA2 GLY A 56 8.049 -17.973 8.513 1.00 0.00 H new ATOM 0 HA3 GLY A 56 9.417 -17.768 7.437 1.00 0.00 H new ATOM 803 N SER A 57 10.740 -17.117 10.076 1.00 0.00 N ATOM 804 CA SER A 57 11.680 -17.494 11.126 1.00 0.00 C ATOM 805 C SER A 57 11.345 -16.786 12.435 1.00 0.00 C ATOM 806 O SER A 57 11.204 -17.422 13.479 1.00 0.00 O ATOM 807 CB SER A 57 13.111 -17.157 10.703 1.00 0.00 C ATOM 808 OG SER A 57 13.159 -15.929 9.997 1.00 0.00 O ATOM 0 H SER A 57 10.750 -16.125 9.838 1.00 0.00 H new ATOM 0 HA SER A 57 11.598 -18.569 11.284 1.00 0.00 H new ATOM 0 HB2 SER A 57 13.750 -17.098 11.584 1.00 0.00 H new ATOM 0 HB3 SER A 57 13.506 -17.956 10.076 1.00 0.00 H new ATOM 0 HG SER A 57 14.085 -15.736 9.739 1.00 0.00 H new ATOM 814 N GLY A 58 11.218 -15.464 12.370 1.00 0.00 N ATOM 815 CA GLY A 58 10.901 -14.690 13.557 1.00 0.00 C ATOM 816 C GLY A 58 12.122 -14.022 14.156 1.00 0.00 C ATOM 817 O GLY A 58 12.848 -14.629 14.944 1.00 0.00 O ATOM 0 H GLY A 58 11.329 -14.915 11.517 1.00 0.00 H new ATOM 0 HA2 GLY A 58 10.162 -13.930 13.305 1.00 0.00 H new ATOM 0 HA3 GLY A 58 10.446 -15.343 14.302 1.00 0.00 H new ATOM 821 N LEU A 59 12.351 -12.768 13.783 1.00 0.00 N ATOM 822 CA LEU A 59 13.494 -12.015 14.288 1.00 0.00 C ATOM 823 C LEU A 59 13.081 -10.605 14.696 1.00 0.00 C ATOM 824 O LEU A 59 11.940 -10.197 14.483 1.00 0.00 O ATOM 825 CB LEU A 59 14.595 -11.950 13.228 1.00 0.00 C ATOM 826 CG LEU A 59 15.448 -13.208 13.067 1.00 0.00 C ATOM 827 CD1 LEU A 59 15.012 -13.996 11.842 1.00 0.00 C ATOM 828 CD2 LEU A 59 16.923 -12.845 12.972 1.00 0.00 C ATOM 0 H LEU A 59 11.760 -12.251 13.132 1.00 0.00 H new ATOM 0 HA LEU A 59 13.876 -12.530 15.169 1.00 0.00 H new ATOM 0 HB2 LEU A 59 14.133 -11.723 12.267 1.00 0.00 H new ATOM 0 HB3 LEU A 59 15.255 -11.117 13.469 1.00 0.00 H new ATOM 0 HG LEU A 59 15.305 -13.835 13.947 1.00 0.00 H new ATOM 0 HD11 LEU A 59 15.631 -14.888 11.744 1.00 0.00 H new ATOM 0 HD12 LEU A 59 13.968 -14.289 11.951 1.00 0.00 H new ATOM 0 HD13 LEU A 59 15.125 -13.377 10.952 1.00 0.00 H new ATOM 0 HD21 LEU A 59 17.515 -13.753 12.858 1.00 0.00 H new ATOM 0 HD22 LEU A 59 17.083 -12.197 12.111 1.00 0.00 H new ATOM 0 HD23 LEU A 59 17.229 -12.325 13.880 1.00 0.00 H new ATOM 840 N GLN A 60 14.017 -9.866 15.282 1.00 0.00 N ATOM 841 CA GLN A 60 13.749 -8.501 15.719 1.00 0.00 C ATOM 842 C GLN A 60 14.466 -7.493 14.826 1.00 0.00 C ATOM 843 O GLN A 60 15.570 -7.749 14.345 1.00 0.00 O ATOM 844 CB GLN A 60 14.187 -8.312 17.173 1.00 0.00 C ATOM 845 CG GLN A 60 15.687 -8.127 17.337 1.00 0.00 C ATOM 846 CD GLN A 60 16.248 -8.919 18.501 1.00 0.00 C ATOM 847 OE1 GLN A 60 16.312 -8.428 19.629 1.00 0.00 O ATOM 848 NE2 GLN A 60 16.660 -10.153 18.234 1.00 0.00 N ATOM 0 H GLN A 60 14.967 -10.189 15.465 1.00 0.00 H new ATOM 0 HA GLN A 60 12.675 -8.327 15.645 1.00 0.00 H new ATOM 0 HB2 GLN A 60 13.675 -7.444 17.588 1.00 0.00 H new ATOM 0 HB3 GLN A 60 13.870 -9.178 17.755 1.00 0.00 H new ATOM 0 HG2 GLN A 60 16.189 -8.432 16.419 1.00 0.00 H new ATOM 0 HG3 GLN A 60 15.905 -7.069 17.483 1.00 0.00 H new ATOM 0 HE21 GLN A 60 16.589 -10.520 17.285 1.00 0.00 H new ATOM 0 HE22 GLN A 60 17.048 -10.733 18.978 1.00 0.00 H new ATOM 857 N VAL A 61 13.829 -6.347 14.606 1.00 0.00 N ATOM 858 CA VAL A 61 14.406 -5.300 13.771 1.00 0.00 C ATOM 859 C VAL A 61 14.384 -3.953 14.484 1.00 0.00 C ATOM 860 O VAL A 61 13.331 -3.486 14.919 1.00 0.00 O ATOM 861 CB VAL A 61 13.654 -5.172 12.432 1.00 0.00 C ATOM 862 CG1 VAL A 61 14.486 -4.394 11.425 1.00 0.00 C ATOM 863 CG2 VAL A 61 13.294 -6.547 11.890 1.00 0.00 C ATOM 0 H VAL A 61 12.913 -6.120 14.994 1.00 0.00 H new ATOM 0 HA VAL A 61 15.439 -5.586 13.574 1.00 0.00 H new ATOM 0 HB VAL A 61 12.729 -4.622 12.605 1.00 0.00 H new ATOM 0 HG11 VAL A 61 13.939 -4.314 10.486 1.00 0.00 H new ATOM 0 HG12 VAL A 61 14.688 -3.396 11.814 1.00 0.00 H new ATOM 0 HG13 VAL A 61 15.428 -4.914 11.253 1.00 0.00 H new ATOM 0 HG21 VAL A 61 12.763 -6.438 10.944 1.00 0.00 H new ATOM 0 HG22 VAL A 61 14.204 -7.125 11.731 1.00 0.00 H new ATOM 0 HG23 VAL A 61 12.656 -7.065 12.606 1.00 0.00 H new ATOM 873 N LYS A 62 15.553 -3.333 14.601 1.00 0.00 N ATOM 874 CA LYS A 62 15.669 -2.037 15.260 1.00 0.00 C ATOM 875 C LYS A 62 16.588 -1.107 14.474 1.00 0.00 C ATOM 876 O LYS A 62 17.609 -1.522 13.925 1.00 0.00 O ATOM 877 CB LYS A 62 16.202 -2.213 16.684 1.00 0.00 C ATOM 878 CG LYS A 62 17.371 -3.178 16.782 1.00 0.00 C ATOM 879 CD LYS A 62 16.934 -4.530 17.320 1.00 0.00 C ATOM 880 CE LYS A 62 16.938 -4.552 18.841 1.00 0.00 C ATOM 881 NZ LYS A 62 15.626 -4.132 19.406 1.00 0.00 N ATOM 0 H LYS A 62 16.434 -3.707 14.248 1.00 0.00 H new ATOM 0 HA LYS A 62 14.677 -1.588 15.302 1.00 0.00 H new ATOM 0 HB2 LYS A 62 16.511 -1.241 17.070 1.00 0.00 H new ATOM 0 HB3 LYS A 62 15.394 -2.568 17.324 1.00 0.00 H new ATOM 0 HG2 LYS A 62 17.822 -3.305 15.798 1.00 0.00 H new ATOM 0 HG3 LYS A 62 18.138 -2.757 17.432 1.00 0.00 H new ATOM 0 HD2 LYS A 62 15.934 -4.762 16.954 1.00 0.00 H new ATOM 0 HD3 LYS A 62 17.600 -5.306 16.942 1.00 0.00 H new ATOM 0 HE2 LYS A 62 17.178 -5.557 19.189 1.00 0.00 H new ATOM 0 HE3 LYS A 62 17.721 -3.891 19.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 15.531 -4.500 20.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 15.572 -3.094 19.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 14.857 -4.508 18.815 1.00 0.00 H new ATOM 895 N PRO A 63 16.220 0.181 14.418 1.00 0.00 N ATOM 896 CA PRO A 63 16.998 1.197 13.703 1.00 0.00 C ATOM 897 C PRO A 63 18.323 1.503 14.393 1.00 0.00 C ATOM 898 O PRO A 63 18.500 1.213 15.577 1.00 0.00 O ATOM 899 CB PRO A 63 16.086 2.426 13.727 1.00 0.00 C ATOM 900 CG PRO A 63 15.220 2.231 14.924 1.00 0.00 C ATOM 901 CD PRO A 63 15.015 0.746 15.049 1.00 0.00 C ATOM 0 HA PRO A 63 17.269 0.871 12.699 1.00 0.00 H new ATOM 0 HB2 PRO A 63 16.664 3.347 13.802 1.00 0.00 H new ATOM 0 HB3 PRO A 63 15.492 2.496 12.816 1.00 0.00 H new ATOM 0 HG2 PRO A 63 15.693 2.636 15.818 1.00 0.00 H new ATOM 0 HG3 PRO A 63 14.268 2.748 14.805 1.00 0.00 H new ATOM 0 HD2 PRO A 63 14.926 0.439 16.091 1.00 0.00 H new ATOM 0 HD3 PRO A 63 14.106 0.422 14.542 1.00 0.00 H new ATOM 909 N LEU A 64 19.251 2.092 13.647 1.00 0.00 N ATOM 910 CA LEU A 64 20.561 2.439 14.187 1.00 0.00 C ATOM 911 C LEU A 64 20.855 3.923 13.992 1.00 0.00 C ATOM 912 O LEU A 64 21.016 4.667 14.959 1.00 0.00 O ATOM 913 CB LEU A 64 21.650 1.600 13.516 1.00 0.00 C ATOM 914 CG LEU A 64 21.256 0.173 13.131 1.00 0.00 C ATOM 915 CD1 LEU A 64 22.357 -0.482 12.312 1.00 0.00 C ATOM 916 CD2 LEU A 64 20.952 -0.650 14.374 1.00 0.00 C ATOM 0 H LEU A 64 19.121 2.339 12.666 1.00 0.00 H new ATOM 0 HA LEU A 64 20.553 2.226 15.256 1.00 0.00 H new ATOM 0 HB2 LEU A 64 21.979 2.120 12.616 1.00 0.00 H new ATOM 0 HB3 LEU A 64 22.508 1.550 14.187 1.00 0.00 H new ATOM 0 HG LEU A 64 20.355 0.218 12.520 1.00 0.00 H new ATOM 0 HD11 LEU A 64 22.059 -1.497 12.047 1.00 0.00 H new ATOM 0 HD12 LEU A 64 22.527 0.095 11.403 1.00 0.00 H new ATOM 0 HD13 LEU A 64 23.276 -0.515 12.898 1.00 0.00 H new ATOM 0 HD21 LEU A 64 20.674 -1.662 14.081 1.00 0.00 H new ATOM 0 HD22 LEU A 64 21.836 -0.687 15.011 1.00 0.00 H new ATOM 0 HD23 LEU A 64 20.129 -0.191 14.922 1.00 0.00 H new ATOM 928 N GLY A 65 20.920 4.348 12.734 1.00 0.00 N ATOM 929 CA GLY A 65 21.192 5.742 12.435 1.00 0.00 C ATOM 930 C GLY A 65 20.225 6.316 11.419 1.00 0.00 C ATOM 931 O GLY A 65 19.032 6.446 11.692 1.00 0.00 O ATOM 0 H GLY A 65 20.789 3.752 11.917 1.00 0.00 H new ATOM 0 HA2 GLY A 65 21.137 6.325 13.354 1.00 0.00 H new ATOM 0 HA3 GLY A 65 22.210 5.838 12.057 1.00 0.00 H new ATOM 935 N ASN A 66 20.740 6.663 10.244 1.00 0.00 N ATOM 936 CA ASN A 66 19.913 7.230 9.184 1.00 0.00 C ATOM 937 C ASN A 66 19.011 6.164 8.569 1.00 0.00 C ATOM 938 O ASN A 66 19.399 5.479 7.624 1.00 0.00 O ATOM 939 CB ASN A 66 20.793 7.856 8.101 1.00 0.00 C ATOM 940 CG ASN A 66 20.429 9.301 7.824 1.00 0.00 C ATOM 941 OD1 ASN A 66 21.067 10.223 8.333 1.00 0.00 O ATOM 942 ND2 ASN A 66 19.398 9.506 7.013 1.00 0.00 N ATOM 0 H ASN A 66 21.726 6.562 10.002 1.00 0.00 H new ATOM 0 HA ASN A 66 19.284 8.004 9.623 1.00 0.00 H new ATOM 0 HB2 ASN A 66 21.837 7.800 8.408 1.00 0.00 H new ATOM 0 HB3 ASN A 66 20.699 7.278 7.182 1.00 0.00 H new ATOM 0 HD21 ASN A 66 19.106 10.457 6.790 1.00 0.00 H new ATOM 0 HD22 ASN A 66 18.898 8.712 6.613 1.00 0.00 H new ATOM 949 N ASN A 67 17.806 6.030 9.113 1.00 0.00 N ATOM 950 CA ASN A 67 16.849 5.047 8.618 1.00 0.00 C ATOM 951 C ASN A 67 17.528 3.703 8.370 1.00 0.00 C ATOM 952 O ASN A 67 17.138 2.956 7.473 1.00 0.00 O ATOM 953 CB ASN A 67 16.195 5.546 7.328 1.00 0.00 C ATOM 954 CG ASN A 67 14.695 5.325 7.317 1.00 0.00 C ATOM 955 OD1 ASN A 67 13.918 6.267 7.163 1.00 0.00 O ATOM 956 ND2 ASN A 67 14.281 4.074 7.481 1.00 0.00 N ATOM 0 H ASN A 67 17.469 6.589 9.896 1.00 0.00 H new ATOM 0 HA ASN A 67 16.080 4.911 9.378 1.00 0.00 H new ATOM 0 HB2 ASN A 67 16.404 6.609 7.206 1.00 0.00 H new ATOM 0 HB3 ASN A 67 16.641 5.033 6.476 1.00 0.00 H new ATOM 0 HD21 ASN A 67 13.283 3.863 7.483 1.00 0.00 H new ATOM 0 HD22 ASN A 67 14.961 3.324 7.605 1.00 0.00 H new ATOM 963 N SER A 68 18.544 3.403 9.172 1.00 0.00 N ATOM 964 CA SER A 68 19.280 2.151 9.038 1.00 0.00 C ATOM 965 C SER A 68 18.764 1.110 10.026 1.00 0.00 C ATOM 966 O SER A 68 18.923 1.255 11.238 1.00 0.00 O ATOM 967 CB SER A 68 20.775 2.387 9.262 1.00 0.00 C ATOM 968 OG SER A 68 21.018 3.699 9.739 1.00 0.00 O ATOM 0 H SER A 68 18.877 4.010 9.922 1.00 0.00 H new ATOM 0 HA SER A 68 19.127 1.774 8.027 1.00 0.00 H new ATOM 0 HB2 SER A 68 21.158 1.660 9.978 1.00 0.00 H new ATOM 0 HB3 SER A 68 21.315 2.230 8.328 1.00 0.00 H new ATOM 0 HG SER A 68 21.980 3.824 9.876 1.00 0.00 H new ATOM 974 N TRP A 69 18.145 0.060 9.499 1.00 0.00 N ATOM 975 CA TRP A 69 17.604 -1.007 10.334 1.00 0.00 C ATOM 976 C TRP A 69 18.484 -2.251 10.265 1.00 0.00 C ATOM 977 O TRP A 69 19.166 -2.487 9.267 1.00 0.00 O ATOM 978 CB TRP A 69 16.179 -1.351 9.898 1.00 0.00 C ATOM 979 CG TRP A 69 15.238 -0.187 9.972 1.00 0.00 C ATOM 980 CD1 TRP A 69 15.347 0.999 9.304 1.00 0.00 C ATOM 981 CD2 TRP A 69 14.046 -0.098 10.760 1.00 0.00 C ATOM 982 NE1 TRP A 69 14.295 1.820 9.629 1.00 0.00 N ATOM 983 CE2 TRP A 69 13.482 1.171 10.520 1.00 0.00 C ATOM 984 CE3 TRP A 69 13.399 -0.966 11.644 1.00 0.00 C ATOM 985 CZ2 TRP A 69 12.304 1.589 11.133 1.00 0.00 C ATOM 986 CZ3 TRP A 69 12.230 -0.549 12.251 1.00 0.00 C ATOM 987 CH2 TRP A 69 11.692 0.719 11.993 1.00 0.00 C ATOM 0 H TRP A 69 18.005 -0.076 8.498 1.00 0.00 H new ATOM 0 HA TRP A 69 17.586 -0.654 11.365 1.00 0.00 H new ATOM 0 HB2 TRP A 69 16.200 -1.727 8.875 1.00 0.00 H new ATOM 0 HB3 TRP A 69 15.799 -2.157 10.526 1.00 0.00 H new ATOM 0 HD1 TRP A 69 16.143 1.254 8.621 1.00 0.00 H new ATOM 0 HE1 TRP A 69 14.144 2.761 9.266 1.00 0.00 H new ATOM 0 HE3 TRP A 69 13.806 -1.945 11.849 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 11.888 2.566 10.936 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 11.722 -1.212 12.936 1.00 0.00 H new ATOM 0 HH2 TRP A 69 10.776 1.015 12.483 1.00 0.00 H new ATOM 998 N THR A 70 18.465 -3.044 11.332 1.00 0.00 N ATOM 999 CA THR A 70 19.262 -4.263 11.393 1.00 0.00 C ATOM 1000 C THR A 70 18.452 -5.421 11.963 1.00 0.00 C ATOM 1001 O THR A 70 17.556 -5.221 12.784 1.00 0.00 O ATOM 1002 CB THR A 70 20.527 -4.065 12.249 1.00 0.00 C ATOM 1003 OG1 THR A 70 21.395 -5.195 12.109 1.00 0.00 O ATOM 1004 CG2 THR A 70 20.164 -3.876 13.715 1.00 0.00 C ATOM 0 H THR A 70 17.906 -2.864 12.166 1.00 0.00 H new ATOM 0 HA THR A 70 19.558 -4.499 10.371 1.00 0.00 H new ATOM 0 HB THR A 70 21.039 -3.169 11.899 1.00 0.00 H new ATOM 0 HG1 THR A 70 21.422 -5.472 11.169 1.00 0.00 H new ATOM 0 HG21 THR A 70 21.073 -3.738 14.300 1.00 0.00 H new ATOM 0 HG22 THR A 70 19.527 -2.998 13.822 1.00 0.00 H new ATOM 0 HG23 THR A 70 19.631 -4.756 14.074 1.00 0.00 H new ATOM 1012 N LEU A 71 18.772 -6.633 11.523 1.00 0.00 N ATOM 1013 CA LEU A 71 18.074 -7.826 11.991 1.00 0.00 C ATOM 1014 C LEU A 71 18.905 -8.571 13.030 1.00 0.00 C ATOM 1015 O LEU A 71 20.132 -8.609 12.946 1.00 0.00 O ATOM 1016 CB LEU A 71 17.760 -8.751 10.814 1.00 0.00 C ATOM 1017 CG LEU A 71 16.332 -8.685 10.271 1.00 0.00 C ATOM 1018 CD1 LEU A 71 15.341 -9.175 11.315 1.00 0.00 C ATOM 1019 CD2 LEU A 71 15.992 -7.267 9.835 1.00 0.00 C ATOM 0 H LEU A 71 19.510 -6.816 10.843 1.00 0.00 H new ATOM 0 HA LEU A 71 17.141 -7.511 12.458 1.00 0.00 H new ATOM 0 HB2 LEU A 71 18.448 -8.518 10.001 1.00 0.00 H new ATOM 0 HB3 LEU A 71 17.964 -9.777 11.120 1.00 0.00 H new ATOM 0 HG LEU A 71 16.264 -9.338 9.401 1.00 0.00 H new ATOM 0 HD11 LEU A 71 14.330 -9.121 10.911 1.00 0.00 H new ATOM 0 HD12 LEU A 71 15.571 -10.207 11.579 1.00 0.00 H new ATOM 0 HD13 LEU A 71 15.410 -8.549 12.204 1.00 0.00 H new ATOM 0 HD21 LEU A 71 14.972 -7.239 9.451 1.00 0.00 H new ATOM 0 HD22 LEU A 71 16.077 -6.594 10.688 1.00 0.00 H new ATOM 0 HD23 LEU A 71 16.683 -6.951 9.053 1.00 0.00 H new ATOM 1031 N GLU A 72 18.228 -9.163 14.009 1.00 0.00 N ATOM 1032 CA GLU A 72 18.905 -9.909 15.063 1.00 0.00 C ATOM 1033 C GLU A 72 18.078 -11.117 15.493 1.00 0.00 C ATOM 1034 O GLU A 72 16.860 -11.161 15.317 1.00 0.00 O ATOM 1035 CB GLU A 72 19.169 -9.004 16.269 1.00 0.00 C ATOM 1036 CG GLU A 72 20.425 -8.160 16.132 1.00 0.00 C ATOM 1037 CD GLU A 72 20.401 -6.930 17.019 1.00 0.00 C ATOM 1038 OE1 GLU A 72 20.496 -7.086 18.254 1.00 0.00 O ATOM 1039 OE2 GLU A 72 20.286 -5.810 16.477 1.00 0.00 O ATOM 0 H GLU A 72 17.212 -9.140 14.094 1.00 0.00 H new ATOM 0 HA GLU A 72 19.857 -10.264 14.667 1.00 0.00 H new ATOM 0 HB2 GLU A 72 18.313 -8.345 16.413 1.00 0.00 H new ATOM 0 HB3 GLU A 72 19.251 -9.620 17.164 1.00 0.00 H new ATOM 0 HG2 GLU A 72 21.295 -8.767 16.382 1.00 0.00 H new ATOM 0 HG3 GLU A 72 20.540 -7.852 15.093 1.00 0.00 H new