USER MOD reduce.3.24.130724 H: found=0, std=0, add=543, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 538 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 17 CYS SG : rot 180:sc= -0.0158 USER MOD Set 1.2: A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -59:sc= 1.21 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.0062 X(o=-0.0062,f=-0.0062) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= 0.446 K(o=0.45,f=-0.44) USER MOD Single : A 18 SER OG : rot 180:sc= 0.0554 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= 0.0364 K(o=0.036,f=-2.3!) USER MOD Single : A 26 HIS : no HD1:sc= -1.7 K(o=-1.7,f=-2.7) USER MOD Single : A 28 ASN : amide:sc= -0.0256 X(o=-0.026,f=-0.035) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= -0.209 X(o=-0.21,f=-0.49) USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.455 USER MOD Single : A 40 GLN : amide:sc= 0.796 K(o=0.8,f=0) USER MOD Single : A 41 GLN : amide:sc= 0.759 K(o=0.76,f=-0.93) USER MOD Single : A 43 ASN : amide:sc= -0.809 K(o=-0.81,f=-2.4!) USER MOD Single : A 50 HIS : no HE2:sc= -0.863 K(o=-0.86,f=-1.8!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0.0187 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 170:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0.0687 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.691 0.178 -0.441 1.00 0.00 N ATOM 2 CA GLY A 1 -16.571 1.304 -0.094 1.00 0.00 C ATOM 3 C GLY A 1 -15.843 2.353 0.733 1.00 0.00 C ATOM 4 O GLY A 1 -16.334 2.787 1.779 1.00 0.00 O ATOM 0 H1 GLY A 1 -16.222 -0.517 -1.004 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.882 0.527 -0.994 1.00 0.00 H new ATOM 0 H3 GLY A 1 -15.346 -0.274 0.430 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -16.954 1.761 -1.006 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.432 0.935 0.463 1.00 0.00 H new ATOM 8 N SER A 2 -14.663 2.765 0.281 1.00 0.00 N ATOM 9 CA SER A 2 -13.830 3.789 0.871 1.00 0.00 C ATOM 10 C SER A 2 -13.440 4.703 -0.272 1.00 0.00 C ATOM 11 O SER A 2 -13.022 4.220 -1.331 1.00 0.00 O ATOM 12 CB SER A 2 -12.582 3.167 1.519 1.00 0.00 C ATOM 13 OG SER A 2 -11.802 4.139 2.198 1.00 0.00 O ATOM 0 H SER A 2 -14.244 2.364 -0.558 1.00 0.00 H new ATOM 0 HA SER A 2 -14.354 4.330 1.659 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.885 2.390 2.220 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.976 2.685 0.752 1.00 0.00 H new ATOM 0 HG SER A 2 -11.528 4.837 1.567 1.00 0.00 H new ATOM 19 N SER A 3 -13.506 6.004 -0.015 1.00 0.00 N ATOM 20 CA SER A 3 -12.733 6.995 -0.741 1.00 0.00 C ATOM 21 C SER A 3 -11.234 6.767 -0.468 1.00 0.00 C ATOM 22 O SER A 3 -10.842 5.854 0.274 1.00 0.00 O ATOM 23 CB SER A 3 -13.177 8.391 -0.276 1.00 0.00 C ATOM 24 OG SER A 3 -14.592 8.518 -0.308 1.00 0.00 O ATOM 0 H SER A 3 -14.104 6.401 0.710 1.00 0.00 H new ATOM 0 HA SER A 3 -12.899 6.910 -1.815 1.00 0.00 H new ATOM 0 HB2 SER A 3 -12.816 8.572 0.736 1.00 0.00 H new ATOM 0 HB3 SER A 3 -12.727 9.150 -0.915 1.00 0.00 H new ATOM 0 HG SER A 3 -14.847 9.415 -0.006 1.00 0.00 H new ATOM 30 N GLY A 4 -10.388 7.618 -1.038 1.00 0.00 N ATOM 31 CA GLY A 4 -9.067 7.928 -0.520 1.00 0.00 C ATOM 32 C GLY A 4 -8.874 9.428 -0.698 1.00 0.00 C ATOM 33 O GLY A 4 -9.426 9.998 -1.644 1.00 0.00 O ATOM 0 H GLY A 4 -10.611 8.123 -1.896 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.987 7.648 0.530 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.299 7.372 -1.057 1.00 0.00 H new ATOM 37 N SER A 5 -8.122 10.063 0.195 1.00 0.00 N ATOM 38 CA SER A 5 -7.867 11.496 0.163 1.00 0.00 C ATOM 39 C SER A 5 -6.461 11.732 0.701 1.00 0.00 C ATOM 40 O SER A 5 -5.615 12.262 -0.011 1.00 0.00 O ATOM 41 CB SER A 5 -8.957 12.231 0.966 1.00 0.00 C ATOM 42 OG SER A 5 -8.952 13.633 0.737 1.00 0.00 O ATOM 0 H SER A 5 -7.666 9.587 0.973 1.00 0.00 H new ATOM 0 HA SER A 5 -7.912 11.894 -0.851 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.934 11.827 0.700 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.811 12.040 2.029 1.00 0.00 H new ATOM 0 HG SER A 5 -9.661 14.053 1.267 1.00 0.00 H new ATOM 48 N SER A 6 -6.215 11.304 1.937 1.00 0.00 N ATOM 49 CA SER A 6 -4.933 11.315 2.622 1.00 0.00 C ATOM 50 C SER A 6 -5.141 10.578 3.946 1.00 0.00 C ATOM 51 O SER A 6 -6.269 10.540 4.457 1.00 0.00 O ATOM 52 CB SER A 6 -4.464 12.763 2.837 1.00 0.00 C ATOM 53 OG SER A 6 -5.510 13.606 3.303 1.00 0.00 O ATOM 0 H SER A 6 -6.956 10.916 2.521 1.00 0.00 H new ATOM 0 HA SER A 6 -4.155 10.821 2.039 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.644 12.774 3.555 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.072 13.158 1.900 1.00 0.00 H new ATOM 0 HG SER A 6 -5.166 14.515 3.427 1.00 0.00 H new ATOM 59 N GLY A 7 -4.083 10.022 4.531 1.00 0.00 N ATOM 60 CA GLY A 7 -4.208 9.219 5.734 1.00 0.00 C ATOM 61 C GLY A 7 -4.669 7.817 5.367 1.00 0.00 C ATOM 62 O GLY A 7 -5.851 7.590 5.096 1.00 0.00 O ATOM 0 H GLY A 7 -3.128 10.116 4.186 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.251 9.173 6.254 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.921 9.679 6.418 1.00 0.00 H new ATOM 66 N VAL A 8 -3.723 6.887 5.354 1.00 0.00 N ATOM 67 CA VAL A 8 -3.923 5.445 5.283 1.00 0.00 C ATOM 68 C VAL A 8 -2.905 4.814 6.245 1.00 0.00 C ATOM 69 O VAL A 8 -2.202 5.531 6.959 1.00 0.00 O ATOM 70 CB VAL A 8 -3.786 4.943 3.826 1.00 0.00 C ATOM 71 CG1 VAL A 8 -4.965 5.389 2.961 1.00 0.00 C ATOM 72 CG2 VAL A 8 -2.485 5.399 3.157 1.00 0.00 C ATOM 0 H VAL A 8 -2.734 7.135 5.395 1.00 0.00 H new ATOM 0 HA VAL A 8 -4.930 5.157 5.585 1.00 0.00 H new ATOM 0 HB VAL A 8 -3.773 3.855 3.898 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -4.832 5.017 1.945 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -5.891 4.991 3.375 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -5.013 6.478 2.945 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.447 5.016 2.137 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -2.449 6.488 3.137 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.633 5.018 3.720 1.00 0.00 H new ATOM 82 N GLU A 9 -2.833 3.486 6.303 1.00 0.00 N ATOM 83 CA GLU A 9 -1.891 2.730 7.114 1.00 0.00 C ATOM 84 C GLU A 9 -1.339 1.571 6.273 1.00 0.00 C ATOM 85 O GLU A 9 -1.898 1.265 5.211 1.00 0.00 O ATOM 86 CB GLU A 9 -2.604 2.261 8.394 1.00 0.00 C ATOM 87 CG GLU A 9 -3.777 1.296 8.154 1.00 0.00 C ATOM 88 CD GLU A 9 -4.700 1.174 9.366 1.00 0.00 C ATOM 89 OE1 GLU A 9 -4.229 0.737 10.442 1.00 0.00 O ATOM 90 OE2 GLU A 9 -5.891 1.529 9.236 1.00 0.00 O ATOM 0 H GLU A 9 -3.456 2.886 5.763 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.042 3.340 7.423 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -1.876 1.773 9.042 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -2.973 3.135 8.930 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -4.355 1.640 7.296 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -3.385 0.311 7.901 1.00 0.00 H new ATOM 97 N ASN A 10 -0.277 0.909 6.750 1.00 0.00 N ATOM 98 CA ASN A 10 0.513 -0.109 6.037 1.00 0.00 C ATOM 99 C ASN A 10 1.032 0.395 4.682 1.00 0.00 C ATOM 100 O ASN A 10 0.976 1.599 4.397 1.00 0.00 O ATOM 101 CB ASN A 10 -0.270 -1.431 5.927 1.00 0.00 C ATOM 102 CG ASN A 10 -0.205 -2.211 7.221 1.00 0.00 C ATOM 103 OD1 ASN A 10 0.750 -2.947 7.452 1.00 0.00 O ATOM 104 ND2 ASN A 10 -1.164 -2.012 8.111 1.00 0.00 N ATOM 0 H ASN A 10 0.074 1.076 7.693 1.00 0.00 H new ATOM 0 HA ASN A 10 1.405 -0.312 6.629 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -1.310 -1.222 5.677 1.00 0.00 H new ATOM 0 HB3 ASN A 10 0.138 -2.033 5.115 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -1.122 -2.476 9.018 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -1.945 -1.394 7.890 1.00 0.00 H new ATOM 111 N LEU A 11 1.587 -0.494 3.857 1.00 0.00 N ATOM 112 CA LEU A 11 1.614 -0.370 2.406 1.00 0.00 C ATOM 113 C LEU A 11 0.204 -0.676 1.861 1.00 0.00 C ATOM 114 O LEU A 11 -0.525 -1.479 2.433 1.00 0.00 O ATOM 115 CB LEU A 11 2.733 -1.295 1.871 1.00 0.00 C ATOM 116 CG LEU A 11 2.690 -1.577 0.375 1.00 0.00 C ATOM 117 CD1 LEU A 11 2.882 -0.294 -0.429 1.00 0.00 C ATOM 118 CD2 LEU A 11 3.793 -2.588 0.044 1.00 0.00 C ATOM 0 H LEU A 11 2.042 -1.343 4.193 1.00 0.00 H new ATOM 0 HA LEU A 11 1.854 0.638 2.066 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.697 -0.847 2.111 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.681 -2.244 2.404 1.00 0.00 H new ATOM 0 HG LEU A 11 1.715 -1.985 0.108 1.00 0.00 H new ATOM 0 HD11 LEU A 11 2.847 -0.523 -1.494 1.00 0.00 H new ATOM 0 HD12 LEU A 11 2.088 0.411 -0.184 1.00 0.00 H new ATOM 0 HD13 LEU A 11 3.848 0.148 -0.184 1.00 0.00 H new ATOM 0 HD21 LEU A 11 3.780 -2.804 -1.024 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.762 -2.172 0.318 1.00 0.00 H new ATOM 0 HD23 LEU A 11 3.623 -3.508 0.603 1.00 0.00 H new ATOM 130 N LYS A 12 -0.194 -0.088 0.727 1.00 0.00 N ATOM 131 CA LYS A 12 -1.326 -0.530 -0.084 1.00 0.00 C ATOM 132 C LYS A 12 -0.856 -0.732 -1.513 1.00 0.00 C ATOM 133 O LYS A 12 0.036 -0.032 -2.003 1.00 0.00 O ATOM 134 CB LYS A 12 -2.468 0.486 -0.054 1.00 0.00 C ATOM 135 CG LYS A 12 -3.228 0.475 1.280 1.00 0.00 C ATOM 136 CD LYS A 12 -4.732 0.401 1.042 1.00 0.00 C ATOM 137 CE LYS A 12 -5.435 0.477 2.389 1.00 0.00 C ATOM 138 NZ LYS A 12 -6.897 0.613 2.302 1.00 0.00 N ATOM 0 H LYS A 12 0.277 0.730 0.341 1.00 0.00 H new ATOM 0 HA LYS A 12 -1.705 -1.466 0.327 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -2.067 1.484 -0.232 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -3.163 0.272 -0.866 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -2.907 -0.377 1.880 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -2.988 1.374 1.848 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -5.055 1.220 0.399 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -4.990 -0.527 0.531 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -5.199 -0.421 2.960 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -5.036 1.324 2.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -7.299 0.658 3.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -7.135 1.484 1.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -7.293 -0.207 1.799 1.00 0.00 H new ATOM 152 N ALA A 13 -1.493 -1.668 -2.203 1.00 0.00 N ATOM 153 CA ALA A 13 -1.247 -1.953 -3.600 1.00 0.00 C ATOM 154 C ALA A 13 -2.595 -2.182 -4.277 1.00 0.00 C ATOM 155 O ALA A 13 -3.512 -2.743 -3.677 1.00 0.00 O ATOM 156 CB ALA A 13 -0.313 -3.158 -3.728 1.00 0.00 C ATOM 0 H ALA A 13 -2.212 -2.262 -1.791 1.00 0.00 H new ATOM 0 HA ALA A 13 -0.748 -1.119 -4.093 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.132 -3.367 -4.782 1.00 0.00 H new ATOM 0 HB2 ALA A 13 0.633 -2.939 -3.234 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.774 -4.027 -3.259 1.00 0.00 H new ATOM 162 N GLN A 14 -2.723 -1.718 -5.520 1.00 0.00 N ATOM 163 CA GLN A 14 -3.906 -1.911 -6.330 1.00 0.00 C ATOM 164 C GLN A 14 -3.695 -3.164 -7.174 1.00 0.00 C ATOM 165 O GLN A 14 -2.667 -3.305 -7.848 1.00 0.00 O ATOM 166 CB GLN A 14 -4.154 -0.657 -7.183 1.00 0.00 C ATOM 167 CG GLN A 14 -5.544 -0.680 -7.812 1.00 0.00 C ATOM 168 CD GLN A 14 -5.891 0.615 -8.553 1.00 0.00 C ATOM 169 OE1 GLN A 14 -5.017 1.388 -8.951 1.00 0.00 O ATOM 170 NE2 GLN A 14 -7.169 0.900 -8.733 1.00 0.00 N ATOM 0 H GLN A 14 -1.990 -1.189 -5.992 1.00 0.00 H new ATOM 0 HA GLN A 14 -4.795 -2.054 -5.716 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -4.048 0.234 -6.564 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -3.399 -0.592 -7.967 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -5.608 -1.517 -8.507 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -6.286 -0.855 -7.033 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -7.887 0.256 -8.401 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -7.437 1.764 -9.204 1.00 0.00 H new ATOM 179 N ALA A 15 -4.671 -4.065 -7.140 1.00 0.00 N ATOM 180 CA ALA A 15 -4.735 -5.229 -8.003 1.00 0.00 C ATOM 181 C ALA A 15 -4.760 -4.820 -9.473 1.00 0.00 C ATOM 182 O ALA A 15 -5.486 -3.905 -9.859 1.00 0.00 O ATOM 183 CB ALA A 15 -6.001 -5.989 -7.641 1.00 0.00 C ATOM 0 H ALA A 15 -5.457 -4.000 -6.494 1.00 0.00 H new ATOM 0 HA ALA A 15 -3.853 -5.854 -7.860 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.086 -6.875 -8.270 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.958 -6.290 -6.594 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -6.868 -5.347 -7.798 1.00 0.00 H new ATOM 189 N LEU A 16 -3.996 -5.503 -10.326 1.00 0.00 N ATOM 190 CA LEU A 16 -3.923 -5.184 -11.754 1.00 0.00 C ATOM 191 C LEU A 16 -4.864 -6.048 -12.592 1.00 0.00 C ATOM 192 O LEU A 16 -5.253 -5.627 -13.678 1.00 0.00 O ATOM 193 CB LEU A 16 -2.494 -5.342 -12.287 1.00 0.00 C ATOM 194 CG LEU A 16 -1.422 -4.500 -11.580 1.00 0.00 C ATOM 195 CD1 LEU A 16 -0.035 -4.806 -12.148 1.00 0.00 C ATOM 196 CD2 LEU A 16 -1.723 -3.004 -11.642 1.00 0.00 C ATOM 0 H LEU A 16 -3.411 -6.291 -10.048 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.235 -4.144 -11.846 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.212 -6.392 -12.212 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.491 -5.086 -13.346 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.436 -4.779 -10.526 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.711 -4.199 -11.634 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.193 -5.862 -12.002 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.019 -4.575 -13.213 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.936 -2.453 -11.128 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.769 -2.685 -12.683 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.680 -2.805 -11.159 1.00 0.00 H new ATOM 208 N CYS A 17 -5.253 -7.226 -12.104 1.00 0.00 N ATOM 209 CA CYS A 17 -6.273 -8.098 -12.680 1.00 0.00 C ATOM 210 C CYS A 17 -6.917 -8.868 -11.531 1.00 0.00 C ATOM 211 O CYS A 17 -6.316 -8.978 -10.454 1.00 0.00 O ATOM 212 CB CYS A 17 -5.658 -9.056 -13.725 1.00 0.00 C ATOM 213 SG CYS A 17 -6.623 -8.946 -15.257 1.00 0.00 S ATOM 0 H CYS A 17 -4.844 -7.616 -11.255 1.00 0.00 H new ATOM 0 HA CYS A 17 -7.025 -7.510 -13.206 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -4.618 -8.791 -13.914 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -5.663 -10.079 -13.348 1.00 0.00 H new ATOM 0 HG CYS A 17 -6.116 -9.746 -16.148 1.00 0.00 H new ATOM 219 N SER A 18 -8.096 -9.428 -11.764 1.00 0.00 N ATOM 220 CA SER A 18 -8.785 -10.308 -10.834 1.00 0.00 C ATOM 221 C SER A 18 -7.942 -11.585 -10.624 1.00 0.00 C ATOM 222 O SER A 18 -7.141 -11.952 -11.493 1.00 0.00 O ATOM 223 CB SER A 18 -10.178 -10.608 -11.410 1.00 0.00 C ATOM 224 OG SER A 18 -10.691 -9.491 -12.121 1.00 0.00 O ATOM 0 H SER A 18 -8.613 -9.277 -12.630 1.00 0.00 H new ATOM 0 HA SER A 18 -8.911 -9.844 -9.856 1.00 0.00 H new ATOM 0 HB2 SER A 18 -10.122 -11.471 -12.074 1.00 0.00 H new ATOM 0 HB3 SER A 18 -10.860 -10.872 -10.601 1.00 0.00 H new ATOM 0 HG SER A 18 -11.577 -9.709 -12.478 1.00 0.00 H new ATOM 230 N TRP A 19 -8.084 -12.266 -9.486 1.00 0.00 N ATOM 231 CA TRP A 19 -7.602 -13.621 -9.235 1.00 0.00 C ATOM 232 C TRP A 19 -8.313 -14.124 -7.980 1.00 0.00 C ATOM 233 O TRP A 19 -8.821 -13.331 -7.184 1.00 0.00 O ATOM 234 CB TRP A 19 -6.080 -13.659 -9.040 1.00 0.00 C ATOM 235 CG TRP A 19 -5.498 -14.988 -8.686 1.00 0.00 C ATOM 236 CD1 TRP A 19 -5.535 -16.083 -9.467 1.00 0.00 C ATOM 237 CD2 TRP A 19 -4.844 -15.393 -7.445 1.00 0.00 C ATOM 238 NE1 TRP A 19 -4.940 -17.137 -8.801 1.00 0.00 N ATOM 239 CE2 TRP A 19 -4.494 -16.772 -7.547 1.00 0.00 C ATOM 240 CE3 TRP A 19 -4.541 -14.741 -6.232 1.00 0.00 C ATOM 241 CZ2 TRP A 19 -3.847 -17.463 -6.506 1.00 0.00 C ATOM 242 CZ3 TRP A 19 -3.863 -15.406 -5.197 1.00 0.00 C ATOM 243 CH2 TRP A 19 -3.493 -16.751 -5.346 1.00 0.00 C ATOM 0 H TRP A 19 -8.561 -11.867 -8.677 1.00 0.00 H new ATOM 0 HA TRP A 19 -7.819 -14.256 -10.094 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -5.607 -13.311 -9.958 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -5.816 -12.949 -8.256 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -5.962 -16.130 -10.458 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -4.842 -18.075 -9.190 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -4.836 -13.711 -6.096 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -3.627 -18.517 -6.596 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -3.626 -14.880 -4.284 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -2.933 -17.243 -4.565 1.00 0.00 H new ATOM 254 N THR A 20 -8.348 -15.440 -7.804 1.00 0.00 N ATOM 255 CA THR A 20 -9.251 -16.097 -6.887 1.00 0.00 C ATOM 256 C THR A 20 -8.486 -17.134 -6.065 1.00 0.00 C ATOM 257 O THR A 20 -7.490 -17.696 -6.544 1.00 0.00 O ATOM 258 CB THR A 20 -10.416 -16.669 -7.708 1.00 0.00 C ATOM 259 OG1 THR A 20 -9.993 -17.565 -8.721 1.00 0.00 O ATOM 260 CG2 THR A 20 -11.199 -15.577 -8.449 1.00 0.00 C ATOM 0 H THR A 20 -7.737 -16.084 -8.306 1.00 0.00 H new ATOM 0 HA THR A 20 -9.675 -15.408 -6.157 1.00 0.00 H new ATOM 0 HB THR A 20 -11.030 -17.176 -6.964 1.00 0.00 H new ATOM 0 HG1 THR A 20 -10.774 -17.899 -9.210 1.00 0.00 H new ATOM 0 HG21 THR A 20 -12.012 -16.032 -9.015 1.00 0.00 H new ATOM 0 HG22 THR A 20 -11.610 -14.871 -7.728 1.00 0.00 H new ATOM 0 HG23 THR A 20 -10.532 -15.051 -9.132 1.00 0.00 H new ATOM 268 N ALA A 21 -8.944 -17.377 -4.832 1.00 0.00 N ATOM 269 CA ALA A 21 -8.212 -18.166 -3.857 1.00 0.00 C ATOM 270 C ALA A 21 -8.133 -19.632 -4.279 1.00 0.00 C ATOM 271 O ALA A 21 -8.825 -20.096 -5.194 1.00 0.00 O ATOM 272 CB ALA A 21 -8.836 -18.026 -2.461 1.00 0.00 C ATOM 0 H ALA A 21 -9.838 -17.026 -4.489 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.194 -17.780 -3.811 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.271 -18.626 -1.748 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.812 -16.980 -2.155 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.869 -18.372 -2.488 1.00 0.00 H new ATOM 278 N LYS A 22 -7.216 -20.342 -3.618 1.00 0.00 N ATOM 279 CA LYS A 22 -6.792 -21.691 -3.955 1.00 0.00 C ATOM 280 C LYS A 22 -6.603 -22.394 -2.606 1.00 0.00 C ATOM 281 O LYS A 22 -7.525 -23.047 -2.123 1.00 0.00 O ATOM 282 CB LYS A 22 -5.521 -21.658 -4.850 1.00 0.00 C ATOM 283 CG LYS A 22 -5.442 -20.644 -6.007 1.00 0.00 C ATOM 284 CD LYS A 22 -5.898 -21.170 -7.368 1.00 0.00 C ATOM 285 CE LYS A 22 -7.375 -21.564 -7.429 1.00 0.00 C ATOM 286 NZ LYS A 22 -7.608 -22.484 -8.558 1.00 0.00 N ATOM 0 H LYS A 22 -6.732 -19.972 -2.800 1.00 0.00 H new ATOM 0 HA LYS A 22 -7.518 -22.240 -4.555 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -4.666 -21.479 -4.198 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -5.394 -22.653 -5.277 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -6.049 -19.776 -5.750 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -4.412 -20.298 -6.096 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -5.706 -20.407 -8.122 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -5.292 -22.037 -7.631 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -7.671 -22.040 -6.494 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -7.993 -20.673 -7.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -8.614 -22.746 -8.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -7.343 -22.016 -9.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -7.032 -23.340 -8.433 1.00 0.00 H new ATOM 300 N LYS A 23 -5.469 -22.168 -1.934 1.00 0.00 N ATOM 301 CA LYS A 23 -5.279 -22.539 -0.533 1.00 0.00 C ATOM 302 C LYS A 23 -6.141 -21.610 0.324 1.00 0.00 C ATOM 303 O LYS A 23 -6.499 -20.520 -0.132 1.00 0.00 O ATOM 304 CB LYS A 23 -3.798 -22.377 -0.148 1.00 0.00 C ATOM 305 CG LYS A 23 -2.803 -23.220 -0.965 1.00 0.00 C ATOM 306 CD LYS A 23 -2.523 -24.607 -0.374 1.00 0.00 C ATOM 307 CE LYS A 23 -1.394 -25.261 -1.184 1.00 0.00 C ATOM 308 NZ LYS A 23 -0.862 -26.478 -0.537 1.00 0.00 N ATOM 0 H LYS A 23 -4.654 -21.720 -2.352 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.568 -23.578 -0.374 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -3.527 -21.326 -0.251 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.685 -22.633 0.905 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.190 -23.340 -1.977 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -1.863 -22.675 -1.046 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -2.237 -24.522 0.674 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -3.422 -25.223 -0.410 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -1.764 -25.514 -2.177 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -0.585 -24.543 -1.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -0.103 -26.880 -1.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -0.483 -26.235 0.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -1.625 -27.177 -0.431 1.00 0.00 H new ATOM 322 N ASP A 24 -6.388 -21.997 1.578 1.00 0.00 N ATOM 323 CA ASP A 24 -7.244 -21.275 2.526 1.00 0.00 C ATOM 324 C ASP A 24 -6.757 -19.850 2.718 1.00 0.00 C ATOM 325 O ASP A 24 -7.545 -18.913 2.800 1.00 0.00 O ATOM 326 CB ASP A 24 -7.232 -21.926 3.924 1.00 0.00 C ATOM 327 CG ASP A 24 -7.611 -23.396 3.915 1.00 0.00 C ATOM 328 OD1 ASP A 24 -6.839 -24.218 3.375 1.00 0.00 O ATOM 329 OD2 ASP A 24 -8.716 -23.759 4.358 1.00 0.00 O ATOM 0 H ASP A 24 -5.986 -22.847 1.975 1.00 0.00 H new ATOM 0 HA ASP A 24 -8.247 -21.302 2.100 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -6.237 -21.819 4.357 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -7.922 -21.386 4.573 1.00 0.00 H new ATOM 334 N ASN A 25 -5.442 -19.689 2.857 1.00 0.00 N ATOM 335 CA ASN A 25 -4.796 -18.436 3.214 1.00 0.00 C ATOM 336 C ASN A 25 -4.378 -17.640 1.980 1.00 0.00 C ATOM 337 O ASN A 25 -3.458 -16.832 2.077 1.00 0.00 O ATOM 338 CB ASN A 25 -3.608 -18.696 4.157 1.00 0.00 C ATOM 339 CG ASN A 25 -2.395 -19.321 3.477 1.00 0.00 C ATOM 340 OD1 ASN A 25 -2.517 -20.132 2.561 1.00 0.00 O ATOM 341 ND2 ASN A 25 -1.196 -19.002 3.929 1.00 0.00 N ATOM 0 H ASN A 25 -4.780 -20.453 2.719 1.00 0.00 H new ATOM 0 HA ASN A 25 -5.522 -17.821 3.746 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -3.308 -17.753 4.614 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -3.936 -19.351 4.964 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -0.366 -19.429 3.518 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -1.100 -18.329 4.689 1.00 0.00 H new ATOM 348 N HIS A 26 -4.988 -17.868 0.814 1.00 0.00 N ATOM 349 CA HIS A 26 -4.838 -16.961 -0.319 1.00 0.00 C ATOM 350 C HIS A 26 -5.758 -15.757 -0.139 1.00 0.00 C ATOM 351 O HIS A 26 -6.815 -15.848 0.487 1.00 0.00 O ATOM 352 CB HIS A 26 -5.153 -17.675 -1.636 1.00 0.00 C ATOM 353 CG HIS A 26 -4.067 -18.599 -2.121 1.00 0.00 C ATOM 354 ND1 HIS A 26 -4.004 -19.155 -3.375 1.00 0.00 N ATOM 355 CD2 HIS A 26 -2.930 -18.964 -1.451 1.00 0.00 C ATOM 356 CE1 HIS A 26 -2.852 -19.847 -3.457 1.00 0.00 C ATOM 357 NE2 HIS A 26 -2.177 -19.769 -2.306 1.00 0.00 N ATOM 0 H HIS A 26 -5.589 -18.672 0.633 1.00 0.00 H new ATOM 0 HA HIS A 26 -3.803 -16.621 -0.358 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -6.072 -18.248 -1.513 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -5.345 -16.926 -2.404 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -2.664 -18.680 -0.443 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -2.520 -20.389 -4.330 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -1.283 -20.213 -2.094 1.00 0.00 H new ATOM 365 N LEU A 27 -5.359 -14.623 -0.709 1.00 0.00 N ATOM 366 CA LEU A 27 -6.223 -13.468 -0.906 1.00 0.00 C ATOM 367 C LEU A 27 -7.039 -13.761 -2.171 1.00 0.00 C ATOM 368 O LEU A 27 -6.496 -14.315 -3.131 1.00 0.00 O ATOM 369 CB LEU A 27 -5.331 -12.206 -1.044 1.00 0.00 C ATOM 370 CG LEU A 27 -5.960 -10.852 -0.646 1.00 0.00 C ATOM 371 CD1 LEU A 27 -7.159 -10.508 -1.519 1.00 0.00 C ATOM 372 CD2 LEU A 27 -6.293 -10.794 0.832 1.00 0.00 C ATOM 0 H LEU A 27 -4.409 -14.481 -1.052 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.903 -13.285 -0.074 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.438 -12.355 -0.437 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.004 -12.135 -2.081 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.207 -10.084 -0.826 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.573 -9.549 -1.207 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.845 -10.446 -2.561 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.919 -11.282 -1.415 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.733 -9.825 1.068 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -7.003 -11.584 1.076 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.383 -10.931 1.416 1.00 0.00 H new ATOM 384 N ASN A 28 -8.316 -13.372 -2.210 1.00 0.00 N ATOM 385 CA ASN A 28 -9.099 -13.304 -3.448 1.00 0.00 C ATOM 386 C ASN A 28 -9.594 -11.867 -3.644 1.00 0.00 C ATOM 387 O ASN A 28 -10.125 -11.274 -2.705 1.00 0.00 O ATOM 388 CB ASN A 28 -10.238 -14.336 -3.447 1.00 0.00 C ATOM 389 CG ASN A 28 -11.359 -14.013 -2.470 1.00 0.00 C ATOM 390 OD1 ASN A 28 -12.306 -13.321 -2.825 1.00 0.00 O ATOM 391 ND2 ASN A 28 -11.309 -14.525 -1.253 1.00 0.00 N ATOM 0 H ASN A 28 -8.839 -13.094 -1.380 1.00 0.00 H new ATOM 0 HA ASN A 28 -8.470 -13.565 -4.299 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -10.654 -14.405 -4.452 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -9.828 -15.316 -3.203 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -12.066 -14.346 -0.593 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -10.513 -15.099 -0.973 1.00 0.00 H new ATOM 398 N PHE A 29 -9.362 -11.302 -4.835 1.00 0.00 N ATOM 399 CA PHE A 29 -9.616 -9.903 -5.194 1.00 0.00 C ATOM 400 C PHE A 29 -10.195 -9.830 -6.601 1.00 0.00 C ATOM 401 O PHE A 29 -10.401 -10.837 -7.281 1.00 0.00 O ATOM 402 CB PHE A 29 -8.331 -9.046 -5.129 1.00 0.00 C ATOM 403 CG PHE A 29 -7.101 -9.726 -5.712 1.00 0.00 C ATOM 404 CD1 PHE A 29 -6.954 -9.867 -7.103 1.00 0.00 C ATOM 405 CD2 PHE A 29 -6.101 -10.238 -4.868 1.00 0.00 C ATOM 406 CE1 PHE A 29 -5.829 -10.531 -7.622 1.00 0.00 C ATOM 407 CE2 PHE A 29 -4.993 -10.921 -5.387 1.00 0.00 C ATOM 408 CZ PHE A 29 -4.841 -11.059 -6.774 1.00 0.00 C ATOM 0 H PHE A 29 -8.973 -11.835 -5.612 1.00 0.00 H new ATOM 0 HA PHE A 29 -10.326 -9.503 -4.470 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -8.503 -8.111 -5.662 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -8.132 -8.788 -4.089 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -7.703 -9.467 -7.770 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -6.188 -10.103 -3.800 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -5.722 -10.637 -8.691 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.256 -11.341 -4.719 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.978 -11.563 -7.184 1.00 0.00 H new ATOM 418 N SER A 30 -10.434 -8.610 -7.053 1.00 0.00 N ATOM 419 CA SER A 30 -10.871 -8.268 -8.380 1.00 0.00 C ATOM 420 C SER A 30 -9.950 -7.195 -8.973 1.00 0.00 C ATOM 421 O SER A 30 -9.055 -6.671 -8.308 1.00 0.00 O ATOM 422 CB SER A 30 -12.289 -7.755 -8.251 1.00 0.00 C ATOM 423 OG SER A 30 -13.256 -8.790 -8.330 1.00 0.00 O ATOM 0 H SER A 30 -10.318 -7.788 -6.460 1.00 0.00 H new ATOM 0 HA SER A 30 -10.836 -9.129 -9.048 1.00 0.00 H new ATOM 0 HB2 SER A 30 -12.397 -7.234 -7.300 1.00 0.00 H new ATOM 0 HB3 SER A 30 -12.480 -7.025 -9.037 1.00 0.00 H new ATOM 0 HG SER A 30 -14.153 -8.407 -8.240 1.00 0.00 H new ATOM 429 N LYS A 31 -10.146 -6.888 -10.252 1.00 0.00 N ATOM 430 CA LYS A 31 -9.375 -5.907 -10.994 1.00 0.00 C ATOM 431 C LYS A 31 -9.593 -4.515 -10.414 1.00 0.00 C ATOM 432 O LYS A 31 -10.730 -4.086 -10.228 1.00 0.00 O ATOM 433 CB LYS A 31 -9.777 -6.059 -12.463 1.00 0.00 C ATOM 434 CG LYS A 31 -8.802 -5.322 -13.388 1.00 0.00 C ATOM 435 CD LYS A 31 -8.965 -5.786 -14.839 1.00 0.00 C ATOM 436 CE LYS A 31 -7.685 -5.524 -15.635 1.00 0.00 C ATOM 437 NZ LYS A 31 -7.801 -5.990 -17.027 1.00 0.00 N ATOM 0 H LYS A 31 -10.871 -7.332 -10.815 1.00 0.00 H new ATOM 0 HA LYS A 31 -8.299 -6.066 -10.916 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -9.803 -7.116 -12.727 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -10.784 -5.669 -12.608 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -8.976 -4.248 -13.324 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -7.778 -5.499 -13.059 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -9.203 -6.850 -14.862 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -9.801 -5.262 -15.302 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -7.464 -4.457 -15.626 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -6.847 -6.027 -15.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -6.914 -5.795 -17.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -7.987 -7.013 -17.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -8.584 -5.492 -17.496 1.00 0.00 H new ATOM 451 N HIS A 32 -8.482 -3.829 -10.152 1.00 0.00 N ATOM 452 CA HIS A 32 -8.361 -2.487 -9.609 1.00 0.00 C ATOM 453 C HIS A 32 -8.793 -2.341 -8.153 1.00 0.00 C ATOM 454 O HIS A 32 -8.783 -1.211 -7.660 1.00 0.00 O ATOM 455 CB HIS A 32 -9.031 -1.426 -10.489 1.00 0.00 C ATOM 456 CG HIS A 32 -8.677 -1.508 -11.941 1.00 0.00 C ATOM 457 ND1 HIS A 32 -7.431 -1.524 -12.523 1.00 0.00 N ATOM 458 CD2 HIS A 32 -9.604 -1.605 -12.923 1.00 0.00 C ATOM 459 CE1 HIS A 32 -7.618 -1.657 -13.848 1.00 0.00 C ATOM 460 NE2 HIS A 32 -8.933 -1.733 -14.143 1.00 0.00 N ATOM 0 H HIS A 32 -7.566 -4.239 -10.332 1.00 0.00 H new ATOM 0 HA HIS A 32 -7.286 -2.305 -9.617 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -10.112 -1.517 -10.386 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -8.758 -0.439 -10.117 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -10.675 -1.587 -12.788 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -6.823 -1.698 -14.578 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -9.351 -1.858 -15.065 1.00 0.00 H new ATOM 468 N ASP A 33 -9.159 -3.415 -7.443 1.00 0.00 N ATOM 469 CA ASP A 33 -9.424 -3.277 -6.012 1.00 0.00 C ATOM 470 C ASP A 33 -8.127 -2.859 -5.297 1.00 0.00 C ATOM 471 O ASP A 33 -7.031 -3.227 -5.734 1.00 0.00 O ATOM 472 CB ASP A 33 -10.084 -4.527 -5.401 1.00 0.00 C ATOM 473 CG ASP A 33 -11.570 -4.250 -5.194 1.00 0.00 C ATOM 474 OD1 ASP A 33 -11.900 -3.521 -4.227 1.00 0.00 O ATOM 475 OD2 ASP A 33 -12.434 -4.651 -5.994 1.00 0.00 O ATOM 0 H ASP A 33 -9.275 -4.355 -7.821 1.00 0.00 H new ATOM 0 HA ASP A 33 -10.163 -2.489 -5.866 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -9.949 -5.385 -6.060 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -9.611 -4.777 -4.451 1.00 0.00 H new ATOM 480 N ILE A 34 -8.235 -2.048 -4.238 1.00 0.00 N ATOM 481 CA ILE A 34 -7.112 -1.606 -3.410 1.00 0.00 C ATOM 482 C ILE A 34 -7.050 -2.550 -2.223 1.00 0.00 C ATOM 483 O ILE A 34 -8.022 -2.701 -1.477 1.00 0.00 O ATOM 484 CB ILE A 34 -7.301 -0.126 -2.985 1.00 0.00 C ATOM 485 CG1 ILE A 34 -7.033 0.839 -4.164 1.00 0.00 C ATOM 486 CG2 ILE A 34 -6.455 0.260 -1.751 1.00 0.00 C ATOM 487 CD1 ILE A 34 -5.549 1.142 -4.414 1.00 0.00 C ATOM 0 H ILE A 34 -9.131 -1.672 -3.927 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.169 -1.639 -3.955 1.00 0.00 H new ATOM 0 HB ILE A 34 -8.346 -0.026 -2.691 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -7.461 0.412 -5.071 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -7.556 1.777 -3.975 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.630 1.307 -1.503 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.739 -0.366 -0.905 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -5.398 0.112 -1.974 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -5.454 1.826 -5.258 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.116 1.601 -3.525 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.021 0.215 -4.637 1.00 0.00 H new ATOM 499 N ILE A 35 -5.885 -3.146 -2.011 1.00 0.00 N ATOM 500 CA ILE A 35 -5.668 -4.129 -0.970 1.00 0.00 C ATOM 501 C ILE A 35 -4.628 -3.529 -0.028 1.00 0.00 C ATOM 502 O ILE A 35 -3.648 -2.918 -0.456 1.00 0.00 O ATOM 503 CB ILE A 35 -5.263 -5.472 -1.614 1.00 0.00 C ATOM 504 CG1 ILE A 35 -6.284 -5.937 -2.677 1.00 0.00 C ATOM 505 CG2 ILE A 35 -4.972 -6.578 -0.580 1.00 0.00 C ATOM 506 CD1 ILE A 35 -5.819 -5.701 -4.108 1.00 0.00 C ATOM 0 H ILE A 35 -5.053 -2.954 -2.569 1.00 0.00 H new ATOM 0 HA ILE A 35 -6.560 -4.356 -0.387 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.321 -5.282 -2.128 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -6.483 -7.000 -2.538 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -7.226 -5.413 -2.518 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.693 -7.496 -1.098 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.154 -6.264 0.068 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -5.863 -6.757 0.022 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.584 -6.051 -4.801 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -5.647 -4.636 -4.264 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.892 -6.247 -4.284 1.00 0.00 H new ATOM 518 N THR A 36 -4.892 -3.695 1.264 1.00 0.00 N ATOM 519 CA THR A 36 -3.983 -3.367 2.338 1.00 0.00 C ATOM 520 C THR A 36 -2.876 -4.405 2.238 1.00 0.00 C ATOM 521 O THR A 36 -3.169 -5.584 2.399 1.00 0.00 O ATOM 522 CB THR A 36 -4.779 -3.487 3.650 1.00 0.00 C ATOM 523 OG1 THR A 36 -5.861 -2.572 3.631 1.00 0.00 O ATOM 524 CG2 THR A 36 -3.945 -3.246 4.903 1.00 0.00 C ATOM 0 H THR A 36 -5.778 -4.076 1.596 1.00 0.00 H new ATOM 0 HA THR A 36 -3.558 -2.364 2.294 1.00 0.00 H new ATOM 0 HB THR A 36 -5.130 -4.518 3.701 1.00 0.00 H new ATOM 0 HG1 THR A 36 -6.369 -2.649 4.465 1.00 0.00 H new ATOM 0 HG21 THR A 36 -4.576 -3.348 5.786 1.00 0.00 H new ATOM 0 HG22 THR A 36 -3.137 -3.976 4.948 1.00 0.00 H new ATOM 0 HG23 THR A 36 -3.524 -2.241 4.872 1.00 0.00 H new ATOM 532 N VAL A 37 -1.648 -4.027 1.897 1.00 0.00 N ATOM 533 CA VAL A 37 -0.521 -4.938 2.033 1.00 0.00 C ATOM 534 C VAL A 37 -0.248 -5.062 3.535 1.00 0.00 C ATOM 535 O VAL A 37 -0.571 -4.152 4.297 1.00 0.00 O ATOM 536 CB VAL A 37 0.689 -4.417 1.227 1.00 0.00 C ATOM 537 CG1 VAL A 37 1.869 -5.395 1.319 1.00 0.00 C ATOM 538 CG2 VAL A 37 0.319 -4.312 -0.264 1.00 0.00 C ATOM 0 H VAL A 37 -1.411 -3.106 1.528 1.00 0.00 H new ATOM 0 HA VAL A 37 -0.731 -5.926 1.624 1.00 0.00 H new ATOM 0 HB VAL A 37 0.962 -3.446 1.641 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.709 -5.007 0.744 1.00 0.00 H new ATOM 0 HG12 VAL A 37 2.166 -5.510 2.362 1.00 0.00 H new ATOM 0 HG13 VAL A 37 1.571 -6.363 0.917 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.177 -3.944 -0.827 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.034 -5.295 -0.638 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.516 -3.622 -0.384 1.00 0.00 H new ATOM 548 N LEU A 38 0.301 -6.193 3.975 1.00 0.00 N ATOM 549 CA LEU A 38 0.599 -6.438 5.381 1.00 0.00 C ATOM 550 C LEU A 38 1.963 -7.092 5.586 1.00 0.00 C ATOM 551 O LEU A 38 2.566 -6.875 6.638 1.00 0.00 O ATOM 552 CB LEU A 38 -0.481 -7.344 5.998 1.00 0.00 C ATOM 553 CG LEU A 38 -1.891 -6.721 6.070 1.00 0.00 C ATOM 554 CD1 LEU A 38 -2.936 -7.798 6.362 1.00 0.00 C ATOM 555 CD2 LEU A 38 -1.978 -5.627 7.141 1.00 0.00 C ATOM 0 H LEU A 38 0.552 -6.968 3.361 1.00 0.00 H new ATOM 0 HA LEU A 38 0.614 -5.465 5.873 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -0.536 -8.265 5.418 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.170 -7.620 7.006 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.091 -6.266 5.100 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.925 -7.342 6.410 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.919 -8.546 5.569 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.710 -8.275 7.316 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.987 -5.215 7.159 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.743 -6.053 8.116 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.266 -4.834 6.910 1.00 0.00 H new ATOM 567 N GLU A 39 2.447 -7.897 4.632 1.00 0.00 N ATOM 568 CA GLU A 39 3.759 -8.536 4.699 1.00 0.00 C ATOM 569 C GLU A 39 4.258 -8.807 3.281 1.00 0.00 C ATOM 570 O GLU A 39 3.456 -8.862 2.346 1.00 0.00 O ATOM 571 CB GLU A 39 3.650 -9.860 5.466 1.00 0.00 C ATOM 572 CG GLU A 39 5.024 -10.382 5.921 1.00 0.00 C ATOM 573 CD GLU A 39 4.896 -11.557 6.881 1.00 0.00 C ATOM 574 OE1 GLU A 39 4.452 -11.306 8.021 1.00 0.00 O ATOM 575 OE2 GLU A 39 5.223 -12.712 6.516 1.00 0.00 O ATOM 0 H GLU A 39 1.929 -8.123 3.783 1.00 0.00 H new ATOM 0 HA GLU A 39 4.459 -7.879 5.216 1.00 0.00 H new ATOM 0 HB2 GLU A 39 3.009 -9.722 6.337 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.171 -10.607 4.833 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.603 -10.687 5.049 1.00 0.00 H new ATOM 0 HG3 GLU A 39 5.576 -9.576 6.405 1.00 0.00 H new ATOM 582 N GLN A 40 5.564 -9.035 3.111 1.00 0.00 N ATOM 583 CA GLN A 40 6.186 -9.258 1.817 1.00 0.00 C ATOM 584 C GLN A 40 7.257 -10.353 1.946 1.00 0.00 C ATOM 585 O GLN A 40 8.364 -10.085 2.420 1.00 0.00 O ATOM 586 CB GLN A 40 6.776 -7.928 1.312 1.00 0.00 C ATOM 587 CG GLN A 40 5.772 -6.767 1.179 1.00 0.00 C ATOM 588 CD GLN A 40 6.489 -5.463 0.852 1.00 0.00 C ATOM 589 OE1 GLN A 40 7.170 -4.899 1.702 1.00 0.00 O ATOM 590 NE2 GLN A 40 6.381 -4.961 -0.367 1.00 0.00 N ATOM 0 H GLN A 40 6.224 -9.069 3.888 1.00 0.00 H new ATOM 0 HA GLN A 40 5.452 -9.601 1.088 1.00 0.00 H new ATOM 0 HB2 GLN A 40 7.571 -7.622 1.992 1.00 0.00 H new ATOM 0 HB3 GLN A 40 7.237 -8.101 0.339 1.00 0.00 H new ATOM 0 HG2 GLN A 40 5.048 -6.995 0.397 1.00 0.00 H new ATOM 0 HG3 GLN A 40 5.213 -6.656 2.108 1.00 0.00 H new ATOM 0 HE21 GLN A 40 5.812 -5.438 -1.066 1.00 0.00 H new ATOM 0 HE22 GLN A 40 6.867 -4.097 -0.608 1.00 0.00 H new ATOM 599 N GLN A 41 6.952 -11.580 1.517 1.00 0.00 N ATOM 600 CA GLN A 41 7.890 -12.705 1.406 1.00 0.00 C ATOM 601 C GLN A 41 8.602 -12.618 0.042 1.00 0.00 C ATOM 602 O GLN A 41 8.487 -11.602 -0.649 1.00 0.00 O ATOM 603 CB GLN A 41 7.128 -14.037 1.571 1.00 0.00 C ATOM 604 CG GLN A 41 6.361 -14.196 2.897 1.00 0.00 C ATOM 605 CD GLN A 41 6.998 -15.055 3.987 1.00 0.00 C ATOM 606 OE1 GLN A 41 7.835 -15.926 3.737 1.00 0.00 O ATOM 607 NE2 GLN A 41 6.617 -14.852 5.243 1.00 0.00 N ATOM 0 H GLN A 41 6.007 -11.829 1.225 1.00 0.00 H new ATOM 0 HA GLN A 41 8.642 -12.659 2.194 1.00 0.00 H new ATOM 0 HB2 GLN A 41 6.421 -14.137 0.747 1.00 0.00 H new ATOM 0 HB3 GLN A 41 7.840 -14.857 1.481 1.00 0.00 H new ATOM 0 HG2 GLN A 41 6.194 -13.201 3.309 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.381 -14.615 2.669 1.00 0.00 H new ATOM 0 HE21 GLN A 41 5.925 -14.133 5.456 1.00 0.00 H new ATOM 0 HE22 GLN A 41 7.016 -15.415 5.994 1.00 0.00 H new ATOM 616 N GLU A 42 9.357 -13.649 -0.353 1.00 0.00 N ATOM 617 CA GLU A 42 10.246 -13.637 -1.518 1.00 0.00 C ATOM 618 C GLU A 42 9.576 -13.134 -2.791 1.00 0.00 C ATOM 619 O GLU A 42 10.181 -12.361 -3.537 1.00 0.00 O ATOM 620 CB GLU A 42 10.901 -15.015 -1.744 1.00 0.00 C ATOM 621 CG GLU A 42 10.042 -16.135 -2.350 1.00 0.00 C ATOM 622 CD GLU A 42 10.712 -17.514 -2.333 1.00 0.00 C ATOM 623 OE1 GLU A 42 11.917 -17.630 -2.645 1.00 0.00 O ATOM 624 OE2 GLU A 42 10.013 -18.526 -2.108 1.00 0.00 O ATOM 0 H GLU A 42 9.366 -14.540 0.144 1.00 0.00 H new ATOM 0 HA GLU A 42 11.029 -12.917 -1.282 1.00 0.00 H new ATOM 0 HB2 GLU A 42 11.766 -14.871 -2.392 1.00 0.00 H new ATOM 0 HB3 GLU A 42 11.278 -15.367 -0.783 1.00 0.00 H new ATOM 0 HG2 GLU A 42 9.101 -16.193 -1.803 1.00 0.00 H new ATOM 0 HG3 GLU A 42 9.797 -15.874 -3.380 1.00 0.00 H new ATOM 631 N ASN A 43 8.342 -13.570 -3.049 1.00 0.00 N ATOM 632 CA ASN A 43 7.586 -13.153 -4.227 1.00 0.00 C ATOM 633 C ASN A 43 6.075 -13.147 -3.978 1.00 0.00 C ATOM 634 O ASN A 43 5.302 -12.821 -4.882 1.00 0.00 O ATOM 635 CB ASN A 43 7.948 -14.053 -5.430 1.00 0.00 C ATOM 636 CG ASN A 43 8.649 -13.288 -6.550 1.00 0.00 C ATOM 637 OD1 ASN A 43 8.305 -12.157 -6.885 1.00 0.00 O ATOM 638 ND2 ASN A 43 9.638 -13.889 -7.181 1.00 0.00 N ATOM 0 H ASN A 43 7.840 -14.222 -2.446 1.00 0.00 H new ATOM 0 HA ASN A 43 7.866 -12.124 -4.454 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.593 -14.864 -5.091 1.00 0.00 H new ATOM 0 HB3 ASN A 43 7.040 -14.511 -5.822 1.00 0.00 H new ATOM 0 HD21 ASN A 43 10.117 -13.415 -7.947 1.00 0.00 H new ATOM 0 HD22 ASN A 43 9.924 -14.828 -6.904 1.00 0.00 H new ATOM 645 N TRP A 44 5.622 -13.520 -2.786 1.00 0.00 N ATOM 646 CA TRP A 44 4.227 -13.444 -2.372 1.00 0.00 C ATOM 647 C TRP A 44 4.106 -12.415 -1.269 1.00 0.00 C ATOM 648 O TRP A 44 4.995 -12.336 -0.422 1.00 0.00 O ATOM 649 CB TRP A 44 3.748 -14.796 -1.858 1.00 0.00 C ATOM 650 CG TRP A 44 3.578 -15.837 -2.923 1.00 0.00 C ATOM 651 CD1 TRP A 44 4.567 -16.425 -3.635 1.00 0.00 C ATOM 652 CD2 TRP A 44 2.342 -16.412 -3.421 1.00 0.00 C ATOM 653 NE1 TRP A 44 4.020 -17.268 -4.582 1.00 0.00 N ATOM 654 CE2 TRP A 44 2.639 -17.259 -4.527 1.00 0.00 C ATOM 655 CE3 TRP A 44 0.995 -16.287 -3.044 1.00 0.00 C ATOM 656 CZ2 TRP A 44 1.625 -17.877 -5.273 1.00 0.00 C ATOM 657 CZ3 TRP A 44 -0.030 -16.906 -3.772 1.00 0.00 C ATOM 658 CH2 TRP A 44 0.281 -17.679 -4.904 1.00 0.00 C ATOM 0 H TRP A 44 6.234 -13.894 -2.061 1.00 0.00 H new ATOM 0 HA TRP A 44 3.612 -13.161 -3.226 1.00 0.00 H new ATOM 0 HB2 TRP A 44 4.460 -15.163 -1.118 1.00 0.00 H new ATOM 0 HB3 TRP A 44 2.796 -14.660 -1.345 1.00 0.00 H new ATOM 0 HD1 TRP A 44 5.624 -16.260 -3.485 1.00 0.00 H new ATOM 0 HE1 TRP A 44 4.566 -17.826 -5.239 1.00 0.00 H new ATOM 0 HE3 TRP A 44 0.743 -15.700 -2.173 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 1.872 -18.498 -6.121 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -1.058 -16.789 -3.463 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -0.511 -18.121 -5.491 1.00 0.00 H new ATOM 669 N TRP A 45 3.015 -11.647 -1.248 1.00 0.00 N ATOM 670 CA TRP A 45 2.734 -10.630 -0.237 1.00 0.00 C ATOM 671 C TRP A 45 1.458 -11.021 0.478 1.00 0.00 C ATOM 672 O TRP A 45 0.589 -11.639 -0.138 1.00 0.00 O ATOM 673 CB TRP A 45 2.605 -9.246 -0.886 1.00 0.00 C ATOM 674 CG TRP A 45 3.851 -8.668 -1.478 1.00 0.00 C ATOM 675 CD1 TRP A 45 5.063 -9.256 -1.461 1.00 0.00 C ATOM 676 CD2 TRP A 45 4.038 -7.398 -2.171 1.00 0.00 C ATOM 677 NE1 TRP A 45 5.984 -8.461 -2.102 1.00 0.00 N ATOM 678 CE2 TRP A 45 5.406 -7.302 -2.562 1.00 0.00 C ATOM 679 CE3 TRP A 45 3.195 -6.325 -2.530 1.00 0.00 C ATOM 680 CZ2 TRP A 45 5.912 -6.219 -3.290 1.00 0.00 C ATOM 681 CZ3 TRP A 45 3.692 -5.222 -3.250 1.00 0.00 C ATOM 682 CH2 TRP A 45 5.049 -5.165 -3.626 1.00 0.00 C ATOM 0 H TRP A 45 2.283 -11.719 -1.955 1.00 0.00 H new ATOM 0 HA TRP A 45 3.553 -10.572 0.480 1.00 0.00 H new ATOM 0 HB2 TRP A 45 1.851 -9.306 -1.670 1.00 0.00 H new ATOM 0 HB3 TRP A 45 2.230 -8.551 -0.135 1.00 0.00 H new ATOM 0 HD1 TRP A 45 5.280 -10.213 -1.010 1.00 0.00 H new ATOM 0 HE1 TRP A 45 6.968 -8.700 -2.221 1.00 0.00 H new ATOM 0 HE3 TRP A 45 2.153 -6.350 -2.248 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 6.950 -6.195 -3.588 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 3.028 -4.413 -3.516 1.00 0.00 H new ATOM 0 HH2 TRP A 45 5.424 -4.312 -4.172 1.00 0.00 H new ATOM 693 N PHE A 46 1.369 -10.719 1.768 1.00 0.00 N ATOM 694 CA PHE A 46 0.154 -10.882 2.537 1.00 0.00 C ATOM 695 C PHE A 46 -0.566 -9.553 2.449 1.00 0.00 C ATOM 696 O PHE A 46 0.073 -8.498 2.375 1.00 0.00 O ATOM 697 CB PHE A 46 0.505 -11.222 3.989 1.00 0.00 C ATOM 698 CG PHE A 46 -0.619 -11.692 4.898 1.00 0.00 C ATOM 699 CD1 PHE A 46 -1.348 -12.849 4.567 1.00 0.00 C ATOM 700 CD2 PHE A 46 -0.846 -11.065 6.139 1.00 0.00 C ATOM 701 CE1 PHE A 46 -2.296 -13.374 5.463 1.00 0.00 C ATOM 702 CE2 PHE A 46 -1.814 -11.572 7.025 1.00 0.00 C ATOM 703 CZ PHE A 46 -2.525 -12.736 6.693 1.00 0.00 C ATOM 0 H PHE A 46 2.151 -10.350 2.310 1.00 0.00 H new ATOM 0 HA PHE A 46 -0.471 -11.691 2.160 1.00 0.00 H new ATOM 0 HB2 PHE A 46 1.271 -11.997 3.976 1.00 0.00 H new ATOM 0 HB3 PHE A 46 0.954 -10.338 4.441 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -1.178 -13.337 3.619 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -0.274 -10.191 6.412 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -2.847 -14.266 5.206 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -2.010 -11.067 7.959 1.00 0.00 H new ATOM 0 HZ PHE A 46 -3.249 -13.141 7.384 1.00 0.00 H new ATOM 713 N GLY A 47 -1.884 -9.580 2.488 1.00 0.00 N ATOM 714 CA GLY A 47 -2.677 -8.380 2.478 1.00 0.00 C ATOM 715 C GLY A 47 -4.079 -8.675 2.955 1.00 0.00 C ATOM 716 O GLY A 47 -4.356 -9.783 3.408 1.00 0.00 O ATOM 0 H GLY A 47 -2.430 -10.440 2.528 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.218 -7.627 3.119 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.708 -7.965 1.471 1.00 0.00 H new ATOM 720 N GLU A 48 -4.946 -7.674 2.874 1.00 0.00 N ATOM 721 CA GLU A 48 -6.336 -7.738 3.270 1.00 0.00 C ATOM 722 C GLU A 48 -7.174 -6.809 2.404 1.00 0.00 C ATOM 723 O GLU A 48 -6.845 -5.634 2.217 1.00 0.00 O ATOM 724 CB GLU A 48 -6.432 -7.330 4.747 1.00 0.00 C ATOM 725 CG GLU A 48 -7.853 -7.348 5.330 1.00 0.00 C ATOM 726 CD GLU A 48 -7.890 -6.997 6.825 1.00 0.00 C ATOM 727 OE1 GLU A 48 -6.839 -6.650 7.412 1.00 0.00 O ATOM 728 OE2 GLU A 48 -8.974 -7.041 7.450 1.00 0.00 O ATOM 0 H GLU A 48 -4.682 -6.757 2.514 1.00 0.00 H new ATOM 0 HA GLU A 48 -6.718 -8.750 3.139 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -5.805 -7.999 5.336 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -6.021 -6.327 4.860 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -8.475 -6.641 4.780 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -8.288 -8.337 5.183 1.00 0.00 H new ATOM 735 N VAL A 49 -8.260 -7.347 1.861 1.00 0.00 N ATOM 736 CA VAL A 49 -9.313 -6.597 1.188 1.00 0.00 C ATOM 737 C VAL A 49 -10.622 -7.357 1.404 1.00 0.00 C ATOM 738 O VAL A 49 -10.604 -8.535 1.762 1.00 0.00 O ATOM 739 CB VAL A 49 -8.931 -6.348 -0.282 1.00 0.00 C ATOM 740 CG1 VAL A 49 -8.743 -7.649 -1.042 1.00 0.00 C ATOM 741 CG2 VAL A 49 -9.861 -5.388 -1.028 1.00 0.00 C ATOM 0 H VAL A 49 -8.437 -8.351 1.878 1.00 0.00 H new ATOM 0 HA VAL A 49 -9.448 -5.598 1.602 1.00 0.00 H new ATOM 0 HB VAL A 49 -7.971 -5.834 -0.239 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -8.474 -7.431 -2.076 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -7.948 -8.231 -0.575 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -9.671 -8.220 -1.021 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -9.516 -5.272 -2.055 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -10.874 -5.790 -1.029 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -9.856 -4.418 -0.532 1.00 0.00 H new ATOM 751 N HIS A 50 -11.756 -6.668 1.301 1.00 0.00 N ATOM 752 CA HIS A 50 -13.112 -7.198 1.428 1.00 0.00 C ATOM 753 C HIS A 50 -13.435 -7.745 2.834 1.00 0.00 C ATOM 754 O HIS A 50 -14.573 -8.150 3.080 1.00 0.00 O ATOM 755 CB HIS A 50 -13.412 -8.238 0.326 1.00 0.00 C ATOM 756 CG HIS A 50 -12.971 -7.882 -1.080 1.00 0.00 C ATOM 757 ND1 HIS A 50 -13.428 -6.838 -1.852 1.00 0.00 N ATOM 758 CD2 HIS A 50 -12.085 -8.590 -1.850 1.00 0.00 C ATOM 759 CE1 HIS A 50 -12.823 -6.910 -3.049 1.00 0.00 C ATOM 760 NE2 HIS A 50 -12.003 -7.971 -3.105 1.00 0.00 N ATOM 0 H HIS A 50 -11.753 -5.665 1.116 1.00 0.00 H new ATOM 0 HA HIS A 50 -13.781 -6.349 1.286 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -12.935 -9.178 0.605 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -14.487 -8.418 0.311 1.00 0.00 H new ATOM 0 HD1 HIS A 50 -14.107 -6.133 -1.565 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -11.544 -9.472 -1.543 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -12.976 -6.209 -3.857 1.00 0.00 H new ATOM 768 N GLY A 51 -12.482 -7.756 3.772 1.00 0.00 N ATOM 769 CA GLY A 51 -12.621 -8.368 5.089 1.00 0.00 C ATOM 770 C GLY A 51 -11.915 -9.719 5.220 1.00 0.00 C ATOM 771 O GLY A 51 -12.150 -10.413 6.211 1.00 0.00 O ATOM 0 H GLY A 51 -11.568 -7.326 3.627 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -12.222 -7.686 5.840 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -13.681 -8.500 5.308 1.00 0.00 H new ATOM 775 N GLY A 52 -11.090 -10.109 4.245 1.00 0.00 N ATOM 776 CA GLY A 52 -10.403 -11.385 4.242 1.00 0.00 C ATOM 777 C GLY A 52 -8.939 -11.203 3.913 1.00 0.00 C ATOM 778 O GLY A 52 -8.602 -10.876 2.777 1.00 0.00 O ATOM 0 H GLY A 52 -10.884 -9.533 3.429 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -10.505 -11.861 5.217 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -10.865 -12.051 3.513 1.00 0.00 H new ATOM 782 N ARG A 53 -8.071 -11.403 4.902 1.00 0.00 N ATOM 783 CA ARG A 53 -6.623 -11.500 4.734 1.00 0.00 C ATOM 784 C ARG A 53 -6.229 -12.653 3.816 1.00 0.00 C ATOM 785 O ARG A 53 -7.000 -13.595 3.629 1.00 0.00 O ATOM 786 CB ARG A 53 -5.956 -11.658 6.115 1.00 0.00 C ATOM 787 CG ARG A 53 -5.847 -10.293 6.797 1.00 0.00 C ATOM 788 CD ARG A 53 -5.742 -10.308 8.324 1.00 0.00 C ATOM 789 NE ARG A 53 -6.334 -9.063 8.830 1.00 0.00 N ATOM 790 CZ ARG A 53 -6.996 -8.869 9.970 1.00 0.00 C ATOM 791 NH1 ARG A 53 -6.816 -9.671 11.013 1.00 0.00 N ATOM 792 NH2 ARG A 53 -7.832 -7.841 10.041 1.00 0.00 N ATOM 0 H ARG A 53 -8.365 -11.505 5.873 1.00 0.00 H new ATOM 0 HA ARG A 53 -6.275 -10.582 4.260 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.539 -12.339 6.735 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -4.965 -12.099 6.002 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -4.972 -9.779 6.398 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -6.719 -9.700 6.519 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -6.264 -11.173 8.734 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -4.700 -10.388 8.634 1.00 0.00 H new ATOM 0 HE ARG A 53 -6.225 -8.243 8.233 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -6.162 -10.451 10.950 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -7.332 -9.507 11.878 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -7.953 -7.226 9.237 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -8.353 -7.666 10.900 1.00 0.00 H new ATOM 806 N GLY A 54 -5.007 -12.634 3.294 1.00 0.00 N ATOM 807 CA GLY A 54 -4.436 -13.758 2.579 1.00 0.00 C ATOM 808 C GLY A 54 -3.209 -13.355 1.773 1.00 0.00 C ATOM 809 O GLY A 54 -2.892 -12.174 1.633 1.00 0.00 O ATOM 0 H GLY A 54 -4.384 -11.829 3.359 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -4.163 -14.539 3.289 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -5.186 -14.182 1.911 1.00 0.00 H new ATOM 813 N TRP A 55 -2.519 -14.358 1.238 1.00 0.00 N ATOM 814 CA TRP A 55 -1.311 -14.239 0.440 1.00 0.00 C ATOM 815 C TRP A 55 -1.634 -14.178 -1.045 1.00 0.00 C ATOM 816 O TRP A 55 -2.626 -14.765 -1.490 1.00 0.00 O ATOM 817 CB TRP A 55 -0.420 -15.451 0.718 1.00 0.00 C ATOM 818 CG TRP A 55 0.243 -15.384 2.048 1.00 0.00 C ATOM 819 CD1 TRP A 55 -0.202 -15.943 3.193 1.00 0.00 C ATOM 820 CD2 TRP A 55 1.424 -14.615 2.400 1.00 0.00 C ATOM 821 NE1 TRP A 55 0.651 -15.607 4.225 1.00 0.00 N ATOM 822 CE2 TRP A 55 1.656 -14.765 3.800 1.00 0.00 C ATOM 823 CE3 TRP A 55 2.310 -13.787 1.680 1.00 0.00 C ATOM 824 CZ2 TRP A 55 2.696 -14.095 4.457 1.00 0.00 C ATOM 825 CZ3 TRP A 55 3.313 -13.091 2.331 1.00 0.00 C ATOM 826 CH2 TRP A 55 3.503 -13.215 3.718 1.00 0.00 C ATOM 0 H TRP A 55 -2.807 -15.329 1.359 1.00 0.00 H new ATOM 0 HA TRP A 55 -0.800 -13.315 0.712 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -1.021 -16.359 0.662 1.00 0.00 H new ATOM 0 HB3 TRP A 55 0.341 -15.523 -0.059 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -1.086 -16.556 3.287 1.00 0.00 H new ATOM 0 HE1 TRP A 55 0.550 -15.941 5.184 1.00 0.00 H new ATOM 0 HE3 TRP A 55 2.204 -13.695 0.609 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 2.874 -14.252 5.511 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 3.962 -12.441 1.763 1.00 0.00 H new ATOM 0 HH2 TRP A 55 4.267 -12.635 4.214 1.00 0.00 H new ATOM 837 N PHE A 56 -0.760 -13.546 -1.830 1.00 0.00 N ATOM 838 CA PHE A 56 -0.952 -13.479 -3.284 1.00 0.00 C ATOM 839 C PHE A 56 0.386 -13.293 -4.010 1.00 0.00 C ATOM 840 O PHE A 56 1.307 -12.729 -3.415 1.00 0.00 O ATOM 841 CB PHE A 56 -1.938 -12.347 -3.610 1.00 0.00 C ATOM 842 CG PHE A 56 -1.534 -10.997 -3.064 1.00 0.00 C ATOM 843 CD1 PHE A 56 -0.708 -10.144 -3.822 1.00 0.00 C ATOM 844 CD2 PHE A 56 -1.926 -10.628 -1.764 1.00 0.00 C ATOM 845 CE1 PHE A 56 -0.263 -8.930 -3.267 1.00 0.00 C ATOM 846 CE2 PHE A 56 -1.484 -9.414 -1.216 1.00 0.00 C ATOM 847 CZ PHE A 56 -0.653 -8.565 -1.964 1.00 0.00 C ATOM 0 H PHE A 56 0.080 -13.077 -1.491 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.371 -14.421 -3.637 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -2.043 -12.272 -4.692 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -2.919 -12.609 -3.212 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -0.418 -10.421 -4.825 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -2.567 -11.279 -1.188 1.00 0.00 H new ATOM 0 HE1 PHE A 56 0.378 -8.277 -3.841 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -1.784 -9.132 -0.217 1.00 0.00 H new ATOM 0 HZ PHE A 56 -0.313 -7.632 -1.540 1.00 0.00 H new ATOM 857 N PRO A 57 0.530 -13.746 -5.274 1.00 0.00 N ATOM 858 CA PRO A 57 1.730 -13.480 -6.058 1.00 0.00 C ATOM 859 C PRO A 57 1.817 -11.976 -6.319 1.00 0.00 C ATOM 860 O PRO A 57 0.897 -11.407 -6.912 1.00 0.00 O ATOM 861 CB PRO A 57 1.591 -14.261 -7.372 1.00 0.00 C ATOM 862 CG PRO A 57 0.270 -15.023 -7.281 1.00 0.00 C ATOM 863 CD PRO A 57 -0.473 -14.406 -6.104 1.00 0.00 C ATOM 0 HA PRO A 57 2.638 -13.790 -5.540 1.00 0.00 H new ATOM 0 HB2 PRO A 57 1.592 -13.586 -8.228 1.00 0.00 H new ATOM 0 HB3 PRO A 57 2.427 -14.947 -7.507 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -0.304 -14.926 -8.203 1.00 0.00 H new ATOM 0 HG3 PRO A 57 0.441 -16.088 -7.123 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -1.220 -13.692 -6.450 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -1.002 -15.171 -5.536 1.00 0.00 H new ATOM 871 N LYS A 58 2.886 -11.301 -5.888 1.00 0.00 N ATOM 872 CA LYS A 58 2.900 -9.839 -5.949 1.00 0.00 C ATOM 873 C LYS A 58 2.837 -9.308 -7.389 1.00 0.00 C ATOM 874 O LYS A 58 2.441 -8.159 -7.576 1.00 0.00 O ATOM 875 CB LYS A 58 4.104 -9.267 -5.181 1.00 0.00 C ATOM 876 CG LYS A 58 5.303 -9.053 -6.108 1.00 0.00 C ATOM 877 CD LYS A 58 6.592 -8.639 -5.404 1.00 0.00 C ATOM 878 CE LYS A 58 7.793 -9.145 -6.178 1.00 0.00 C ATOM 879 NZ LYS A 58 8.987 -8.294 -6.035 1.00 0.00 N ATOM 0 H LYS A 58 3.729 -11.728 -5.504 1.00 0.00 H new ATOM 0 HA LYS A 58 1.992 -9.490 -5.457 1.00 0.00 H new ATOM 0 HB2 LYS A 58 3.826 -8.320 -4.718 1.00 0.00 H new ATOM 0 HB3 LYS A 58 4.381 -9.947 -4.376 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.487 -9.975 -6.659 1.00 0.00 H new ATOM 0 HG3 LYS A 58 5.045 -8.289 -6.842 1.00 0.00 H new ATOM 0 HD2 LYS A 58 6.636 -7.553 -5.318 1.00 0.00 H new ATOM 0 HD3 LYS A 58 6.607 -9.040 -4.391 1.00 0.00 H new ATOM 0 HE2 LYS A 58 8.033 -10.153 -5.841 1.00 0.00 H new ATOM 0 HE3 LYS A 58 7.531 -9.215 -7.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 9.769 -8.697 -6.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 8.775 -7.337 -6.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 9.261 -8.246 -5.033 1.00 0.00 H new ATOM 893 N SER A 59 3.233 -10.086 -8.402 1.00 0.00 N ATOM 894 CA SER A 59 3.218 -9.642 -9.796 1.00 0.00 C ATOM 895 C SER A 59 1.797 -9.312 -10.264 1.00 0.00 C ATOM 896 O SER A 59 1.610 -8.612 -11.262 1.00 0.00 O ATOM 897 CB SER A 59 3.875 -10.705 -10.685 1.00 0.00 C ATOM 898 OG SER A 59 3.442 -12.016 -10.347 1.00 0.00 O ATOM 0 H SER A 59 3.572 -11.040 -8.277 1.00 0.00 H new ATOM 0 HA SER A 59 3.795 -8.720 -9.876 1.00 0.00 H new ATOM 0 HB2 SER A 59 3.639 -10.502 -11.730 1.00 0.00 H new ATOM 0 HB3 SER A 59 4.959 -10.643 -10.585 1.00 0.00 H new ATOM 0 HG SER A 59 3.880 -12.667 -10.935 1.00 0.00 H new ATOM 904 N TYR A 60 0.784 -9.781 -9.529 1.00 0.00 N ATOM 905 CA TYR A 60 -0.606 -9.543 -9.842 1.00 0.00 C ATOM 906 C TYR A 60 -1.003 -8.088 -9.578 1.00 0.00 C ATOM 907 O TYR A 60 -2.055 -7.681 -10.082 1.00 0.00 O ATOM 908 CB TYR A 60 -1.473 -10.541 -9.051 1.00 0.00 C ATOM 909 CG TYR A 60 -1.476 -11.936 -9.659 1.00 0.00 C ATOM 910 CD1 TYR A 60 -0.274 -12.614 -9.925 1.00 0.00 C ATOM 911 CD2 TYR A 60 -2.686 -12.520 -10.070 1.00 0.00 C ATOM 912 CE1 TYR A 60 -0.269 -13.822 -10.629 1.00 0.00 C ATOM 913 CE2 TYR A 60 -2.693 -13.674 -10.870 1.00 0.00 C ATOM 914 CZ TYR A 60 -1.475 -14.346 -11.141 1.00 0.00 C ATOM 915 OH TYR A 60 -1.457 -15.481 -11.894 1.00 0.00 O ATOM 0 H TYR A 60 0.921 -10.344 -8.690 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.771 -9.706 -10.907 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -1.108 -10.598 -8.026 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -2.496 -10.168 -9.005 1.00 0.00 H new ATOM 0 HD1 TYR A 60 0.660 -12.196 -9.580 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -3.623 -12.076 -9.767 1.00 0.00 H new ATOM 0 HE1 TYR A 60 0.658 -14.354 -10.781 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -3.621 -14.047 -11.276 1.00 0.00 H new ATOM 0 HH TYR A 60 -2.371 -15.707 -12.167 1.00 0.00 H new ATOM 925 N VAL A 61 -0.205 -7.317 -8.830 1.00 0.00 N ATOM 926 CA VAL A 61 -0.576 -6.035 -8.226 1.00 0.00 C ATOM 927 C VAL A 61 0.485 -4.986 -8.584 1.00 0.00 C ATOM 928 O VAL A 61 1.523 -5.342 -9.148 1.00 0.00 O ATOM 929 CB VAL A 61 -0.806 -6.197 -6.696 1.00 0.00 C ATOM 930 CG1 VAL A 61 -1.352 -7.581 -6.341 1.00 0.00 C ATOM 931 CG2 VAL A 61 0.457 -6.047 -5.822 1.00 0.00 C ATOM 0 H VAL A 61 0.758 -7.582 -8.621 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.526 -5.683 -8.629 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.506 -5.389 -6.483 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.497 -7.649 -5.263 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.305 -7.737 -6.846 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.643 -8.345 -6.661 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.191 -6.177 -4.773 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.189 -6.803 -6.107 1.00 0.00 H new ATOM 0 HG23 VAL A 61 0.885 -5.055 -5.968 1.00 0.00 H new ATOM 941 N LYS A 62 0.283 -3.712 -8.239 1.00 0.00 N ATOM 942 CA LYS A 62 1.371 -2.735 -8.159 1.00 0.00 C ATOM 943 C LYS A 62 1.239 -1.979 -6.845 1.00 0.00 C ATOM 944 O LYS A 62 0.115 -1.733 -6.404 1.00 0.00 O ATOM 945 CB LYS A 62 1.376 -1.791 -9.380 1.00 0.00 C ATOM 946 CG LYS A 62 0.204 -0.794 -9.394 1.00 0.00 C ATOM 947 CD LYS A 62 0.240 0.205 -10.558 1.00 0.00 C ATOM 948 CE LYS A 62 1.168 1.365 -10.182 1.00 0.00 C ATOM 949 NZ LYS A 62 1.039 2.532 -11.077 1.00 0.00 N ATOM 0 H LYS A 62 -0.634 -3.330 -8.008 1.00 0.00 H new ATOM 0 HA LYS A 62 2.332 -3.248 -8.180 1.00 0.00 H new ATOM 0 HB2 LYS A 62 2.314 -1.236 -9.396 1.00 0.00 H new ATOM 0 HB3 LYS A 62 1.344 -2.389 -10.291 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -0.732 -1.351 -9.438 1.00 0.00 H new ATOM 0 HG3 LYS A 62 0.202 -0.240 -8.455 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.595 -0.284 -11.465 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.763 0.576 -10.768 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.954 1.675 -9.159 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.200 1.015 -10.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.692 3.280 -10.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.271 2.250 -12.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 0.063 2.889 -11.043 1.00 0.00 H new ATOM 963 N ILE A 63 2.351 -1.580 -6.232 1.00 0.00 N ATOM 964 CA ILE A 63 2.347 -0.612 -5.137 1.00 0.00 C ATOM 965 C ILE A 63 1.833 0.708 -5.674 1.00 0.00 C ATOM 966 O ILE A 63 2.045 1.061 -6.843 1.00 0.00 O ATOM 967 CB ILE A 63 3.768 -0.467 -4.535 1.00 0.00 C ATOM 968 CG1 ILE A 63 4.048 -1.715 -3.678 1.00 0.00 C ATOM 969 CG2 ILE A 63 4.006 0.867 -3.786 1.00 0.00 C ATOM 970 CD1 ILE A 63 5.267 -1.643 -2.747 1.00 0.00 C ATOM 0 H ILE A 63 3.281 -1.919 -6.480 1.00 0.00 H new ATOM 0 HA ILE A 63 1.695 -0.952 -4.333 1.00 0.00 H new ATOM 0 HB ILE A 63 4.492 -0.414 -5.348 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.166 -1.918 -3.071 1.00 0.00 H new ATOM 0 HG13 ILE A 63 4.178 -2.566 -4.346 1.00 0.00 H new ATOM 0 HG21 ILE A 63 5.023 0.889 -3.396 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.863 1.701 -4.473 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.299 0.952 -2.961 1.00 0.00 H new ATOM 0 HD11 ILE A 63 5.360 -2.579 -2.197 1.00 0.00 H new ATOM 0 HD12 ILE A 63 6.168 -1.479 -3.339 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.140 -0.820 -2.044 1.00 0.00 H new ATOM 982 N ILE A 64 1.169 1.431 -4.783 1.00 0.00 N ATOM 983 CA ILE A 64 0.545 2.691 -5.068 1.00 0.00 C ATOM 984 C ILE A 64 1.172 3.725 -4.125 1.00 0.00 C ATOM 985 O ILE A 64 1.559 3.390 -3.001 1.00 0.00 O ATOM 986 CB ILE A 64 -0.969 2.499 -4.922 1.00 0.00 C ATOM 987 CG1 ILE A 64 -1.468 1.308 -5.754 1.00 0.00 C ATOM 988 CG2 ILE A 64 -1.870 3.645 -5.348 1.00 0.00 C ATOM 989 CD1 ILE A 64 -1.476 1.505 -7.279 1.00 0.00 C ATOM 0 H ILE A 64 1.053 1.136 -3.813 1.00 0.00 H new ATOM 0 HA ILE A 64 0.705 3.058 -6.082 1.00 0.00 H new ATOM 0 HB ILE A 64 -1.051 2.376 -3.842 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -0.846 0.443 -5.523 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -2.481 1.066 -5.434 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.912 3.367 -5.188 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -1.636 4.531 -4.757 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.710 3.860 -6.404 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.847 0.600 -7.761 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -2.124 2.344 -7.534 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.463 1.711 -7.625 1.00 0.00 H new ATOM 1001 N PRO A 65 1.315 4.974 -4.584 1.00 0.00 N ATOM 1002 CA PRO A 65 1.794 6.079 -3.769 1.00 0.00 C ATOM 1003 C PRO A 65 0.748 6.486 -2.726 1.00 0.00 C ATOM 1004 O PRO A 65 1.044 6.564 -1.536 1.00 0.00 O ATOM 1005 CB PRO A 65 2.121 7.214 -4.746 1.00 0.00 C ATOM 1006 CG PRO A 65 1.561 6.770 -6.106 1.00 0.00 C ATOM 1007 CD PRO A 65 0.820 5.462 -5.846 1.00 0.00 C ATOM 0 HA PRO A 65 2.680 5.806 -3.196 1.00 0.00 H new ATOM 0 HB2 PRO A 65 1.667 8.151 -4.423 1.00 0.00 H new ATOM 0 HB3 PRO A 65 3.196 7.384 -4.802 1.00 0.00 H new ATOM 0 HG2 PRO A 65 0.890 7.524 -6.517 1.00 0.00 H new ATOM 0 HG3 PRO A 65 2.363 6.627 -6.831 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -0.257 5.624 -5.807 1.00 0.00 H new ATOM 0 HD3 PRO A 65 1.006 4.742 -6.643 1.00 0.00 H new ATOM 1015 N GLY A 66 -0.485 6.704 -3.181 1.00 0.00 N ATOM 1016 CA GLY A 66 -1.621 7.069 -2.357 1.00 0.00 C ATOM 1017 C GLY A 66 -2.506 8.070 -3.074 1.00 0.00 C ATOM 1018 O GLY A 66 -3.436 7.672 -3.774 1.00 0.00 O ATOM 0 H GLY A 66 -0.722 6.627 -4.170 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -2.198 6.178 -2.110 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.272 7.494 -1.416 1.00 0.00 H new ATOM 1022 N SER A 67 -2.197 9.354 -2.939 1.00 0.00 N ATOM 1023 CA SER A 67 -3.051 10.480 -3.298 1.00 0.00 C ATOM 1024 C SER A 67 -2.243 11.412 -4.205 1.00 0.00 C ATOM 1025 O SER A 67 -1.917 12.537 -3.831 1.00 0.00 O ATOM 1026 CB SER A 67 -3.567 11.139 -2.000 1.00 0.00 C ATOM 1027 OG SER A 67 -2.612 11.109 -0.942 1.00 0.00 O ATOM 0 H SER A 67 -1.300 9.653 -2.557 1.00 0.00 H new ATOM 0 HA SER A 67 -3.936 10.181 -3.859 1.00 0.00 H new ATOM 0 HB2 SER A 67 -3.838 12.174 -2.208 1.00 0.00 H new ATOM 0 HB3 SER A 67 -4.475 10.630 -1.677 1.00 0.00 H new ATOM 0 HG SER A 67 -2.923 11.675 -0.205 1.00 0.00 H new ATOM 1033 N GLU A 68 -1.874 10.927 -5.395 1.00 0.00 N ATOM 1034 CA GLU A 68 -0.680 11.395 -6.095 1.00 0.00 C ATOM 1035 C GLU A 68 -0.986 11.774 -7.544 1.00 0.00 C ATOM 1036 O GLU A 68 -1.357 10.900 -8.336 1.00 0.00 O ATOM 1037 CB GLU A 68 0.348 10.255 -6.034 1.00 0.00 C ATOM 1038 CG GLU A 68 1.794 10.726 -6.192 1.00 0.00 C ATOM 1039 CD GLU A 68 2.203 11.590 -5.001 1.00 0.00 C ATOM 1040 OE1 GLU A 68 2.135 11.098 -3.854 1.00 0.00 O ATOM 1041 OE2 GLU A 68 2.532 12.771 -5.237 1.00 0.00 O ATOM 0 H GLU A 68 -2.392 10.204 -5.895 1.00 0.00 H new ATOM 0 HA GLU A 68 -0.294 12.297 -5.620 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.246 9.735 -5.081 1.00 0.00 H new ATOM 0 HB3 GLU A 68 0.123 9.531 -6.817 1.00 0.00 H new ATOM 0 HG2 GLU A 68 2.458 9.865 -6.270 1.00 0.00 H new ATOM 0 HG3 GLU A 68 1.900 11.295 -7.116 1.00 0.00 H new ATOM 1048 N SER A 69 -0.863 13.050 -7.898 1.00 0.00 N ATOM 1049 CA SER A 69 -0.940 13.524 -9.275 1.00 0.00 C ATOM 1050 C SER A 69 0.187 12.917 -10.124 1.00 0.00 C ATOM 1051 O SER A 69 1.200 12.445 -9.600 1.00 0.00 O ATOM 1052 CB SER A 69 -0.896 15.062 -9.266 1.00 0.00 C ATOM 1053 OG SER A 69 0.014 15.565 -8.300 1.00 0.00 O ATOM 0 H SER A 69 -0.704 13.797 -7.222 1.00 0.00 H new ATOM 0 HA SER A 69 -1.876 13.203 -9.731 1.00 0.00 H new ATOM 0 HB2 SER A 69 -0.610 15.422 -10.254 1.00 0.00 H new ATOM 0 HB3 SER A 69 -1.893 15.451 -9.061 1.00 0.00 H new ATOM 0 HG SER A 69 0.013 16.545 -8.328 1.00 0.00 H new ATOM 1059 N GLY A 70 0.039 12.939 -11.448 1.00 0.00 N ATOM 1060 CA GLY A 70 1.065 12.474 -12.370 1.00 0.00 C ATOM 1061 C GLY A 70 0.626 12.724 -13.810 1.00 0.00 C ATOM 1062 O GLY A 70 0.207 11.761 -14.458 1.00 0.00 O ATOM 0 H GLY A 70 -0.803 13.283 -11.910 1.00 0.00 H new ATOM 0 HA2 GLY A 70 2.004 12.991 -12.173 1.00 0.00 H new ATOM 0 HA3 GLY A 70 1.248 11.411 -12.217 1.00 0.00 H new ATOM 1066 N PRO A 71 0.661 13.976 -14.300 1.00 0.00 N ATOM 1067 CA PRO A 71 0.161 14.387 -15.615 1.00 0.00 C ATOM 1068 C PRO A 71 1.035 13.867 -16.770 1.00 0.00 C ATOM 1069 O PRO A 71 1.880 14.590 -17.285 1.00 0.00 O ATOM 1070 CB PRO A 71 0.108 15.920 -15.547 1.00 0.00 C ATOM 1071 CG PRO A 71 1.205 16.272 -14.555 1.00 0.00 C ATOM 1072 CD PRO A 71 1.098 15.142 -13.545 1.00 0.00 C ATOM 0 HA PRO A 71 -0.819 13.961 -15.829 1.00 0.00 H new ATOM 0 HB2 PRO A 71 0.290 16.371 -16.522 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -0.866 16.273 -15.209 1.00 0.00 H new ATOM 0 HG2 PRO A 71 2.187 16.304 -15.028 1.00 0.00 H new ATOM 0 HG3 PRO A 71 1.041 17.246 -14.095 1.00 0.00 H new ATOM 0 HD2 PRO A 71 2.057 14.958 -13.061 1.00 0.00 H new ATOM 0 HD3 PRO A 71 0.386 15.388 -12.757 1.00 0.00 H new ATOM 1080 N SER A 72 0.814 12.610 -17.164 1.00 0.00 N ATOM 1081 CA SER A 72 1.417 11.792 -18.222 1.00 0.00 C ATOM 1082 C SER A 72 2.953 11.732 -18.339 1.00 0.00 C ATOM 1083 O SER A 72 3.436 10.769 -18.941 1.00 0.00 O ATOM 1084 CB SER A 72 0.757 12.121 -19.569 1.00 0.00 C ATOM 1085 OG SER A 72 0.481 10.926 -20.285 1.00 0.00 O ATOM 0 H SER A 72 0.104 12.064 -16.676 1.00 0.00 H new ATOM 0 HA SER A 72 1.201 10.773 -17.900 1.00 0.00 H new ATOM 0 HB2 SER A 72 -0.166 12.676 -19.404 1.00 0.00 H new ATOM 0 HB3 SER A 72 1.414 12.762 -20.157 1.00 0.00 H new ATOM 0 HG SER A 72 0.059 11.148 -21.141 1.00 0.00 H new ATOM 1091 N SER A 73 3.712 12.658 -17.751 1.00 0.00 N ATOM 1092 CA SER A 73 5.165 12.769 -17.708 1.00 0.00 C ATOM 1093 C SER A 73 5.860 12.228 -18.962 1.00 0.00 C ATOM 1094 O SER A 73 6.395 11.112 -18.979 1.00 0.00 O ATOM 1095 CB SER A 73 5.685 12.144 -16.414 1.00 0.00 C ATOM 1096 OG SER A 73 5.176 12.871 -15.305 1.00 0.00 O ATOM 0 H SER A 73 3.276 13.426 -17.242 1.00 0.00 H new ATOM 0 HA SER A 73 5.421 13.828 -17.707 1.00 0.00 H new ATOM 0 HB2 SER A 73 5.378 11.100 -16.351 1.00 0.00 H new ATOM 0 HB3 SER A 73 6.775 12.157 -16.403 1.00 0.00 H new ATOM 0 HG SER A 73 5.506 12.472 -14.473 1.00 0.00 H new ATOM 1102 N GLY A 74 5.868 13.034 -20.023 1.00 0.00 N ATOM 1103 CA GLY A 74 6.555 12.689 -21.246 1.00 0.00 C ATOM 1104 C GLY A 74 6.439 13.817 -22.220 1.00 0.00 C ATOM 1105 O GLY A 74 5.430 13.855 -22.954 1.00 0.00 O ATOM 0 H GLY A 74 5.398 13.939 -20.049 1.00 0.00 H new ATOM 0 HA2 GLY A 74 7.605 12.480 -21.039 1.00 0.00 H new ATOM 0 HA3 GLY A 74 6.127 11.782 -21.672 1.00 0.00 H new TER 1109 GLY A 74