USER MOD reduce.3.24.130724 H: found=0, std=0, add=572, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 572 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 62 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Set 1.2: A 65 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 7 THR OG1 : rot 122:sc= 1.23 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 1.01 USER MOD Single : A 2 GLN : amide:sc= -0.0419 K(o=-0.042,f=-1.6) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -70:sc= 0.146 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0.74 K(o=0.74,f=-3.8!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0.193 (180deg=0.193) USER MOD Single : A 31 GLN : amide:sc= -0.681 K(o=-0.68,f=-3!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.819 K(o=-0.82,f=-4.1!) USER MOD Single : A 41 GLN : amide:sc= -0.649 K(o=-0.65,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -140:sc= -0.266 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.756 K(o=-0.76,f=-0.059) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.677 K(o=-0.68,f=-0.096) USER MOD ----------------------------------------------------------------- ATOM 18 N GLN A 2 9.213 -8.426 -2.371 1.00 0.00 N ATOM 19 CA GLN A 2 7.778 -8.207 -2.367 1.00 0.00 C ATOM 20 C GLN A 2 7.344 -7.718 -0.991 1.00 0.00 C ATOM 21 O GLN A 2 8.164 -7.610 -0.082 1.00 0.00 O ATOM 22 CB GLN A 2 7.068 -9.512 -2.728 1.00 0.00 C ATOM 23 CG GLN A 2 7.256 -9.813 -4.215 1.00 0.00 C ATOM 24 CD GLN A 2 6.565 -11.114 -4.605 1.00 0.00 C ATOM 25 OE1 GLN A 2 5.560 -11.491 -4.008 1.00 0.00 O ATOM 26 NE2 GLN A 2 7.115 -11.812 -5.601 1.00 0.00 N ATOM 0 HA GLN A 2 7.513 -7.449 -3.104 1.00 0.00 H new ATOM 0 HB2 GLN A 2 7.467 -10.331 -2.129 1.00 0.00 H new ATOM 0 HB3 GLN A 2 6.006 -9.435 -2.495 1.00 0.00 H new ATOM 0 HG2 GLN A 2 6.854 -8.992 -4.809 1.00 0.00 H new ATOM 0 HG3 GLN A 2 8.320 -9.880 -4.444 1.00 0.00 H new ATOM 0 HE21 GLN A 2 7.950 -11.461 -6.069 1.00 0.00 H new ATOM 0 HE22 GLN A 2 6.700 -12.697 -5.894 1.00 0.00 H new ATOM 35 N ILE A 3 6.059 -7.383 -0.856 1.00 0.00 N ATOM 36 CA ILE A 3 5.479 -6.952 0.404 1.00 0.00 C ATOM 37 C ILE A 3 4.057 -7.497 0.504 1.00 0.00 C ATOM 38 O ILE A 3 3.569 -8.125 -0.434 1.00 0.00 O ATOM 39 CB ILE A 3 5.497 -5.423 0.500 1.00 0.00 C ATOM 40 CG1 ILE A 3 4.639 -4.818 -0.613 1.00 0.00 C ATOM 41 CG2 ILE A 3 6.934 -4.912 0.390 1.00 0.00 C ATOM 42 CD1 ILE A 3 4.582 -3.297 -0.474 1.00 0.00 C ATOM 0 H ILE A 3 5.392 -7.406 -1.628 1.00 0.00 H new ATOM 0 HA ILE A 3 6.066 -7.340 1.237 1.00 0.00 H new ATOM 0 HB ILE A 3 5.086 -5.123 1.464 1.00 0.00 H new ATOM 0 HG12 ILE A 3 5.052 -5.086 -1.586 1.00 0.00 H new ATOM 0 HG13 ILE A 3 3.631 -5.232 -0.570 1.00 0.00 H new ATOM 0 HG21 ILE A 3 6.940 -3.824 0.459 1.00 0.00 H new ATOM 0 HG22 ILE A 3 7.532 -5.330 1.200 1.00 0.00 H new ATOM 0 HG23 ILE A 3 7.356 -5.217 -0.567 1.00 0.00 H new ATOM 0 HD11 ILE A 3 3.968 -2.881 -1.273 1.00 0.00 H new ATOM 0 HD12 ILE A 3 4.147 -3.036 0.491 1.00 0.00 H new ATOM 0 HD13 ILE A 3 5.590 -2.888 -0.541 1.00 0.00 H new ATOM 54 N PHE A 4 3.383 -7.244 1.628 1.00 0.00 N ATOM 55 CA PHE A 4 2.034 -7.739 1.836 1.00 0.00 C ATOM 56 C PHE A 4 1.140 -6.615 2.340 1.00 0.00 C ATOM 57 O PHE A 4 1.248 -6.207 3.494 1.00 0.00 O ATOM 58 CB PHE A 4 2.061 -8.892 2.837 1.00 0.00 C ATOM 59 CG PHE A 4 2.797 -10.111 2.333 1.00 0.00 C ATOM 60 CD1 PHE A 4 2.113 -11.091 1.601 1.00 0.00 C ATOM 61 CD2 PHE A 4 4.161 -10.266 2.608 1.00 0.00 C ATOM 62 CE1 PHE A 4 2.797 -12.225 1.142 1.00 0.00 C ATOM 63 CE2 PHE A 4 4.844 -11.399 2.149 1.00 0.00 C ATOM 64 CZ PHE A 4 4.161 -12.379 1.416 1.00 0.00 C ATOM 0 H PHE A 4 3.756 -6.698 2.405 1.00 0.00 H new ATOM 0 HA PHE A 4 1.631 -8.103 0.891 1.00 0.00 H new ATOM 0 HB2 PHE A 4 2.530 -8.550 3.760 1.00 0.00 H new ATOM 0 HB3 PHE A 4 1.037 -9.172 3.084 1.00 0.00 H new ATOM 0 HD1 PHE A 4 1.060 -10.973 1.391 1.00 0.00 H new ATOM 0 HD2 PHE A 4 4.687 -9.511 3.174 1.00 0.00 H new ATOM 0 HE1 PHE A 4 2.271 -12.980 0.577 1.00 0.00 H new ATOM 0 HE2 PHE A 4 5.897 -11.518 2.360 1.00 0.00 H new ATOM 0 HZ PHE A 4 4.687 -13.253 1.062 1.00 0.00 H new ATOM 74 N VAL A 5 0.253 -6.115 1.477 1.00 0.00 N ATOM 75 CA VAL A 5 -0.671 -5.062 1.854 1.00 0.00 C ATOM 76 C VAL A 5 -1.997 -5.693 2.260 1.00 0.00 C ATOM 77 O VAL A 5 -2.604 -6.418 1.476 1.00 0.00 O ATOM 78 CB VAL A 5 -0.858 -4.102 0.679 1.00 0.00 C ATOM 79 CG1 VAL A 5 -1.813 -2.981 1.079 1.00 0.00 C ATOM 80 CG2 VAL A 5 0.491 -3.499 0.289 1.00 0.00 C ATOM 0 H VAL A 5 0.161 -6.429 0.511 1.00 0.00 H new ATOM 0 HA VAL A 5 -0.277 -4.495 2.698 1.00 0.00 H new ATOM 0 HB VAL A 5 -1.272 -4.649 -0.168 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -1.944 -2.298 0.240 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -2.778 -3.406 1.355 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -1.400 -2.437 1.928 1.00 0.00 H new ATOM 0 HG21 VAL A 5 0.355 -2.815 -0.549 1.00 0.00 H new ATOM 0 HG22 VAL A 5 0.906 -2.955 1.138 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.176 -4.296 -0.001 1.00 0.00 H new ATOM 90 N LYS A 6 -2.440 -5.432 3.493 1.00 0.00 N ATOM 91 CA LYS A 6 -3.648 -6.041 4.017 1.00 0.00 C ATOM 92 C LYS A 6 -4.775 -5.016 4.060 1.00 0.00 C ATOM 93 O LYS A 6 -4.666 -3.998 4.740 1.00 0.00 O ATOM 94 CB LYS A 6 -3.355 -6.609 5.404 1.00 0.00 C ATOM 95 CG LYS A 6 -4.495 -7.515 5.862 1.00 0.00 C ATOM 96 CD LYS A 6 -4.104 -8.170 7.185 1.00 0.00 C ATOM 97 CE LYS A 6 -5.157 -9.200 7.583 1.00 0.00 C ATOM 98 NZ LYS A 6 -4.777 -9.892 8.824 1.00 0.00 N ATOM 0 H LYS A 6 -1.973 -4.800 4.143 1.00 0.00 H new ATOM 0 HA LYS A 6 -3.970 -6.855 3.367 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -2.421 -7.171 5.383 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -3.221 -5.795 6.116 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -5.411 -6.937 5.984 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -4.697 -8.277 5.109 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -3.130 -8.650 7.090 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -4.011 -7.412 7.963 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -6.120 -8.707 7.718 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -5.281 -9.927 6.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -5.510 -10.587 9.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -3.869 -10.381 8.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -4.683 -9.198 9.593 1.00 0.00 H new ATOM 112 N THR A 7 -5.837 -5.270 3.290 1.00 0.00 N ATOM 113 CA THR A 7 -6.973 -4.371 3.197 1.00 0.00 C ATOM 114 C THR A 7 -7.673 -4.255 4.546 1.00 0.00 C ATOM 115 O THR A 7 -7.365 -4.995 5.478 1.00 0.00 O ATOM 116 CB THR A 7 -7.948 -4.896 2.146 1.00 0.00 C ATOM 117 OG1 THR A 7 -8.383 -6.183 2.522 1.00 0.00 O ATOM 118 CG2 THR A 7 -7.264 -4.971 0.783 1.00 0.00 C ATOM 0 H THR A 7 -5.926 -6.108 2.716 1.00 0.00 H new ATOM 0 HA THR A 7 -6.621 -3.381 2.906 1.00 0.00 H new ATOM 0 HB THR A 7 -8.800 -4.219 2.078 1.00 0.00 H new ATOM 0 HG1 THR A 7 -9.359 -6.186 2.607 1.00 0.00 H new ATOM 0 HG21 THR A 7 -7.970 -5.347 0.042 1.00 0.00 H new ATOM 0 HG22 THR A 7 -6.926 -3.977 0.491 1.00 0.00 H new ATOM 0 HG23 THR A 7 -6.408 -5.643 0.842 1.00 0.00 H new ATOM 126 N ALA A 8 -8.659 -3.357 4.626 1.00 0.00 N ATOM 127 CA ALA A 8 -9.440 -3.173 5.833 1.00 0.00 C ATOM 128 C ALA A 8 -10.419 -4.330 6.007 1.00 0.00 C ATOM 129 O ALA A 8 -11.099 -4.416 7.027 1.00 0.00 O ATOM 130 CB ALA A 8 -10.196 -1.849 5.749 1.00 0.00 C ATOM 0 H ALA A 8 -8.930 -2.745 3.856 1.00 0.00 H new ATOM 0 HA ALA A 8 -8.774 -3.153 6.695 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -10.784 -1.708 6.656 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -9.484 -1.030 5.647 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -10.860 -1.863 4.884 1.00 0.00 H new ATOM 136 N THR A 9 -10.501 -5.213 5.008 1.00 0.00 N ATOM 137 CA THR A 9 -11.370 -6.374 5.081 1.00 0.00 C ATOM 138 C THR A 9 -10.570 -7.582 5.557 1.00 0.00 C ATOM 139 O THR A 9 -11.131 -8.655 5.766 1.00 0.00 O ATOM 140 CB THR A 9 -12.001 -6.635 3.713 1.00 0.00 C ATOM 141 OG1 THR A 9 -10.992 -6.825 2.747 1.00 0.00 O ATOM 142 CG2 THR A 9 -12.867 -5.444 3.310 1.00 0.00 C ATOM 0 H THR A 9 -9.971 -5.139 4.139 1.00 0.00 H new ATOM 0 HA THR A 9 -12.172 -6.190 5.796 1.00 0.00 H new ATOM 0 HB THR A 9 -12.618 -7.532 3.773 1.00 0.00 H new ATOM 0 HG1 THR A 9 -11.403 -6.993 1.873 1.00 0.00 H new ATOM 0 HG21 THR A 9 -13.315 -5.633 2.335 1.00 0.00 H new ATOM 0 HG22 THR A 9 -13.655 -5.300 4.049 1.00 0.00 H new ATOM 0 HG23 THR A 9 -12.250 -4.547 3.258 1.00 0.00 H new ATOM 150 N GLY A 10 -9.264 -7.395 5.763 1.00 0.00 N ATOM 151 CA GLY A 10 -8.398 -8.445 6.267 1.00 0.00 C ATOM 152 C GLY A 10 -7.824 -9.280 5.127 1.00 0.00 C ATOM 153 O GLY A 10 -7.032 -10.189 5.369 1.00 0.00 O ATOM 0 H GLY A 10 -8.786 -6.512 5.584 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -7.585 -8.004 6.844 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -8.958 -9.088 6.946 1.00 0.00 H new ATOM 157 N LYS A 11 -8.240 -8.999 3.890 1.00 0.00 N ATOM 158 CA LYS A 11 -7.737 -9.719 2.735 1.00 0.00 C ATOM 159 C LYS A 11 -6.332 -9.229 2.403 1.00 0.00 C ATOM 160 O LYS A 11 -6.155 -8.091 1.973 1.00 0.00 O ATOM 161 CB LYS A 11 -8.678 -9.514 1.549 1.00 0.00 C ATOM 162 CG LYS A 11 -10.032 -10.155 1.855 1.00 0.00 C ATOM 163 CD LYS A 11 -10.961 -10.009 0.653 1.00 0.00 C ATOM 164 CE LYS A 11 -12.298 -10.681 0.958 1.00 0.00 C ATOM 165 NZ LYS A 11 -13.226 -10.557 -0.178 1.00 0.00 N ATOM 0 H LYS A 11 -8.925 -8.276 3.670 1.00 0.00 H new ATOM 0 HA LYS A 11 -7.691 -10.785 2.957 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.804 -8.450 1.351 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.249 -9.957 0.650 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -9.898 -11.210 2.096 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -10.478 -9.682 2.730 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -11.116 -8.954 0.425 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -10.507 -10.462 -0.228 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -12.135 -11.735 1.185 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -12.742 -10.229 1.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -14.126 -11.022 0.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -13.398 -9.551 -0.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -12.810 -11.010 -1.017 1.00 0.00 H new ATOM 179 N THR A 12 -5.333 -10.087 2.619 1.00 0.00 N ATOM 180 CA THR A 12 -3.950 -9.751 2.342 1.00 0.00 C ATOM 181 C THR A 12 -3.700 -9.777 0.838 1.00 0.00 C ATOM 182 O THR A 12 -4.266 -10.606 0.127 1.00 0.00 O ATOM 183 CB THR A 12 -3.037 -10.743 3.062 1.00 0.00 C ATOM 184 OG1 THR A 12 -3.449 -10.865 4.406 1.00 0.00 O ATOM 185 CG2 THR A 12 -1.591 -10.254 3.015 1.00 0.00 C ATOM 0 H THR A 12 -5.467 -11.028 2.989 1.00 0.00 H new ATOM 0 HA THR A 12 -3.734 -8.746 2.705 1.00 0.00 H new ATOM 0 HB THR A 12 -3.100 -11.712 2.567 1.00 0.00 H new ATOM 0 HG1 THR A 12 -2.867 -11.502 4.870 1.00 0.00 H new ATOM 0 HG21 THR A 12 -0.949 -10.968 3.531 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.271 -10.162 1.977 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.519 -9.282 3.504 1.00 0.00 H new ATOM 193 N ILE A 13 -2.870 -8.850 0.355 1.00 0.00 N ATOM 194 CA ILE A 13 -2.541 -8.754 -1.054 1.00 0.00 C ATOM 195 C ILE A 13 -1.028 -8.757 -1.231 1.00 0.00 C ATOM 196 O ILE A 13 -0.351 -7.821 -0.810 1.00 0.00 O ATOM 197 CB ILE A 13 -3.153 -7.482 -1.648 1.00 0.00 C ATOM 198 CG1 ILE A 13 -4.645 -7.406 -1.313 1.00 0.00 C ATOM 199 CG2 ILE A 13 -2.953 -7.488 -3.163 1.00 0.00 C ATOM 200 CD1 ILE A 13 -5.242 -6.108 -1.854 1.00 0.00 C ATOM 0 H ILE A 13 -2.411 -8.148 0.936 1.00 0.00 H new ATOM 0 HA ILE A 13 -2.955 -9.614 -1.581 1.00 0.00 H new ATOM 0 HB ILE A 13 -2.659 -6.609 -1.220 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -5.166 -8.261 -1.743 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -4.786 -7.457 -0.233 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -3.387 -6.584 -3.591 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -1.887 -7.521 -3.389 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -3.442 -8.363 -3.591 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -6.303 -6.066 -1.609 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -4.732 -5.257 -1.403 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -5.118 -6.074 -2.936 1.00 0.00 H new ATOM 212 N THR A 14 -0.500 -9.810 -1.859 1.00 0.00 N ATOM 213 CA THR A 14 0.916 -9.892 -2.161 1.00 0.00 C ATOM 214 C THR A 14 1.245 -8.848 -3.218 1.00 0.00 C ATOM 215 O THR A 14 0.647 -8.848 -4.292 1.00 0.00 O ATOM 216 CB THR A 14 1.246 -11.297 -2.663 1.00 0.00 C ATOM 217 OG1 THR A 14 0.776 -12.251 -1.735 1.00 0.00 O ATOM 218 CG2 THR A 14 2.756 -11.450 -2.828 1.00 0.00 C ATOM 0 H THR A 14 -1.042 -10.618 -2.166 1.00 0.00 H new ATOM 0 HA THR A 14 1.512 -9.698 -1.269 1.00 0.00 H new ATOM 0 HB THR A 14 0.763 -11.454 -3.627 1.00 0.00 H new ATOM 0 HG1 THR A 14 1.315 -12.206 -0.918 1.00 0.00 H new ATOM 0 HG21 THR A 14 2.983 -12.454 -3.186 1.00 0.00 H new ATOM 0 HG22 THR A 14 3.119 -10.717 -3.548 1.00 0.00 H new ATOM 0 HG23 THR A 14 3.245 -11.288 -1.867 1.00 0.00 H new ATOM 226 N LEU A 15 2.138 -7.912 -2.887 1.00 0.00 N ATOM 227 CA LEU A 15 2.442 -6.808 -3.776 1.00 0.00 C ATOM 228 C LEU A 15 3.919 -6.792 -4.138 1.00 0.00 C ATOM 229 O LEU A 15 4.754 -7.304 -3.395 1.00 0.00 O ATOM 230 CB LEU A 15 2.036 -5.499 -3.095 1.00 0.00 C ATOM 231 CG LEU A 15 1.783 -4.394 -4.121 1.00 0.00 C ATOM 232 CD1 LEU A 15 0.557 -4.737 -4.960 1.00 0.00 C ATOM 233 CD2 LEU A 15 1.537 -3.078 -3.388 1.00 0.00 C ATOM 0 H LEU A 15 2.658 -7.904 -2.010 1.00 0.00 H new ATOM 0 HA LEU A 15 1.881 -6.926 -4.703 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.136 -5.659 -2.501 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.821 -5.186 -2.406 1.00 0.00 H new ATOM 0 HG LEU A 15 2.651 -4.301 -4.773 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.382 -3.946 -5.689 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.725 -5.680 -5.481 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.313 -4.831 -4.311 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.356 -2.285 -4.114 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.668 -3.180 -2.738 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.411 -2.827 -2.788 1.00 0.00 H new ATOM 245 N GLU A 16 4.235 -6.158 -5.268 1.00 0.00 N ATOM 246 CA GLU A 16 5.597 -5.976 -5.728 1.00 0.00 C ATOM 247 C GLU A 16 5.745 -4.541 -6.211 1.00 0.00 C ATOM 248 O GLU A 16 5.010 -4.113 -7.098 1.00 0.00 O ATOM 249 CB GLU A 16 5.891 -6.973 -6.846 1.00 0.00 C ATOM 250 CG GLU A 16 7.343 -6.833 -7.296 1.00 0.00 C ATOM 251 CD GLU A 16 7.680 -7.847 -8.382 1.00 0.00 C ATOM 252 OE1 GLU A 16 6.751 -8.575 -8.794 1.00 0.00 O ATOM 253 OE2 GLU A 16 8.863 -7.871 -8.788 1.00 0.00 O ATOM 0 H GLU A 16 3.537 -5.754 -5.892 1.00 0.00 H new ATOM 0 HA GLU A 16 6.311 -6.157 -4.924 1.00 0.00 H new ATOM 0 HB2 GLU A 16 5.705 -7.989 -6.498 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.221 -6.797 -7.688 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.515 -5.824 -7.670 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.007 -6.975 -6.443 1.00 0.00 H new ATOM 260 N VAL A 17 6.636 -3.772 -5.581 1.00 0.00 N ATOM 261 CA VAL A 17 6.777 -2.364 -5.903 1.00 0.00 C ATOM 262 C VAL A 17 8.229 -2.027 -6.210 1.00 0.00 C ATOM 263 O VAL A 17 9.138 -2.762 -5.826 1.00 0.00 O ATOM 264 CB VAL A 17 6.262 -1.526 -4.729 1.00 0.00 C ATOM 265 CG1 VAL A 17 4.785 -1.829 -4.483 1.00 0.00 C ATOM 266 CG2 VAL A 17 7.056 -1.848 -3.463 1.00 0.00 C ATOM 0 H VAL A 17 7.264 -4.105 -4.850 1.00 0.00 H new ATOM 0 HA VAL A 17 6.189 -2.136 -6.792 1.00 0.00 H new ATOM 0 HB VAL A 17 6.385 -0.471 -4.975 1.00 0.00 H new ATOM 0 HG11 VAL A 17 4.425 -1.230 -3.647 1.00 0.00 H new ATOM 0 HG12 VAL A 17 4.210 -1.587 -5.377 1.00 0.00 H new ATOM 0 HG13 VAL A 17 4.665 -2.887 -4.250 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.681 -1.246 -2.635 1.00 0.00 H new ATOM 0 HG22 VAL A 17 6.944 -2.905 -3.223 1.00 0.00 H new ATOM 0 HG23 VAL A 17 8.110 -1.622 -3.627 1.00 0.00 H new ATOM 276 N GLU A 18 8.443 -0.875 -6.852 1.00 0.00 N ATOM 277 CA GLU A 18 9.773 -0.390 -7.156 1.00 0.00 C ATOM 278 C GLU A 18 10.249 0.475 -5.992 1.00 0.00 C ATOM 279 O GLU A 18 9.545 1.393 -5.576 1.00 0.00 O ATOM 280 CB GLU A 18 9.734 0.409 -8.458 1.00 0.00 C ATOM 281 CG GLU A 18 9.637 -0.534 -9.661 1.00 0.00 C ATOM 282 CD GLU A 18 8.370 -1.381 -9.619 1.00 0.00 C ATOM 283 OE1 GLU A 18 8.505 -2.581 -9.293 1.00 0.00 O ATOM 284 OE2 GLU A 18 7.321 -0.857 -10.051 1.00 0.00 O ATOM 0 H GLU A 18 7.694 -0.260 -7.171 1.00 0.00 H new ATOM 0 HA GLU A 18 10.468 -1.219 -7.288 1.00 0.00 H new ATOM 0 HB2 GLU A 18 8.881 1.088 -8.450 1.00 0.00 H new ATOM 0 HB3 GLU A 18 10.630 1.024 -8.541 1.00 0.00 H new ATOM 0 HG2 GLU A 18 9.653 0.049 -10.582 1.00 0.00 H new ATOM 0 HG3 GLU A 18 10.510 -1.187 -9.682 1.00 0.00 H new ATOM 291 N PRO A 19 11.440 0.181 -5.459 1.00 0.00 N ATOM 292 CA PRO A 19 11.969 0.791 -4.255 1.00 0.00 C ATOM 293 C PRO A 19 11.999 2.318 -4.284 1.00 0.00 C ATOM 294 O PRO A 19 12.035 2.939 -3.225 1.00 0.00 O ATOM 295 CB PRO A 19 13.383 0.232 -4.103 1.00 0.00 C ATOM 296 CG PRO A 19 13.342 -1.105 -4.839 1.00 0.00 C ATOM 297 CD PRO A 19 12.283 -0.903 -5.920 1.00 0.00 C ATOM 0 HA PRO A 19 11.318 0.552 -3.414 1.00 0.00 H new ATOM 0 HB2 PRO A 19 14.124 0.902 -4.537 1.00 0.00 H new ATOM 0 HB3 PRO A 19 13.648 0.100 -3.054 1.00 0.00 H new ATOM 0 HG2 PRO A 19 14.311 -1.352 -5.272 1.00 0.00 H new ATOM 0 HG3 PRO A 19 13.076 -1.921 -4.168 1.00 0.00 H new ATOM 0 HD2 PRO A 19 12.744 -0.658 -6.877 1.00 0.00 H new ATOM 0 HD3 PRO A 19 11.701 -1.812 -6.070 1.00 0.00 H new ATOM 305 N SER A 20 12.020 2.931 -5.472 1.00 0.00 N ATOM 306 CA SER A 20 12.230 4.369 -5.562 1.00 0.00 C ATOM 307 C SER A 20 11.158 5.060 -6.398 1.00 0.00 C ATOM 308 O SER A 20 11.327 6.219 -6.771 1.00 0.00 O ATOM 309 CB SER A 20 13.619 4.636 -6.137 1.00 0.00 C ATOM 310 OG SER A 20 14.596 4.052 -5.303 1.00 0.00 O ATOM 0 H SER A 20 11.896 2.459 -6.367 1.00 0.00 H new ATOM 0 HA SER A 20 12.157 4.787 -4.558 1.00 0.00 H new ATOM 0 HB2 SER A 20 13.692 4.224 -7.144 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.790 5.709 -6.218 1.00 0.00 H new ATOM 0 HG SER A 20 15.487 4.222 -5.674 1.00 0.00 H new ATOM 316 N ASP A 21 10.082 4.349 -6.735 1.00 0.00 N ATOM 317 CA ASP A 21 9.010 4.937 -7.523 1.00 0.00 C ATOM 318 C ASP A 21 7.997 5.611 -6.605 1.00 0.00 C ATOM 319 O ASP A 21 6.965 6.089 -7.073 1.00 0.00 O ATOM 320 CB ASP A 21 8.342 3.868 -8.388 1.00 0.00 C ATOM 321 CG ASP A 21 9.062 3.715 -9.725 1.00 0.00 C ATOM 322 OD1 ASP A 21 8.958 2.610 -10.301 1.00 0.00 O ATOM 323 OD2 ASP A 21 9.551 4.750 -10.226 1.00 0.00 O ATOM 0 H ASP A 21 9.934 3.374 -6.475 1.00 0.00 H new ATOM 0 HA ASP A 21 9.428 5.695 -8.186 1.00 0.00 H new ATOM 0 HB2 ASP A 21 8.343 2.915 -7.859 1.00 0.00 H new ATOM 0 HB3 ASP A 21 7.299 4.135 -8.561 1.00 0.00 H new ATOM 328 N THR A 22 8.302 5.665 -5.303 1.00 0.00 N ATOM 329 CA THR A 22 7.489 6.365 -4.320 1.00 0.00 C ATOM 330 C THR A 22 6.274 5.528 -3.933 1.00 0.00 C ATOM 331 O THR A 22 5.901 4.600 -4.647 1.00 0.00 O ATOM 332 CB THR A 22 7.076 7.729 -4.884 1.00 0.00 C ATOM 333 OG1 THR A 22 8.221 8.398 -5.364 1.00 0.00 O ATOM 334 CG2 THR A 22 6.422 8.584 -3.806 1.00 0.00 C ATOM 0 H THR A 22 9.128 5.218 -4.906 1.00 0.00 H new ATOM 0 HA THR A 22 8.072 6.526 -3.413 1.00 0.00 H new ATOM 0 HB THR A 22 6.361 7.569 -5.691 1.00 0.00 H new ATOM 0 HG1 THR A 22 7.962 9.270 -5.727 1.00 0.00 H new ATOM 0 HG21 THR A 22 6.137 9.547 -4.229 1.00 0.00 H new ATOM 0 HG22 THR A 22 5.534 8.077 -3.428 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.126 8.740 -2.989 1.00 0.00 H new ATOM 342 N ILE A 23 5.658 5.859 -2.793 1.00 0.00 N ATOM 343 CA ILE A 23 4.461 5.186 -2.316 1.00 0.00 C ATOM 344 C ILE A 23 3.395 5.196 -3.408 1.00 0.00 C ATOM 345 O ILE A 23 2.502 4.351 -3.413 1.00 0.00 O ATOM 346 CB ILE A 23 3.956 5.884 -1.051 1.00 0.00 C ATOM 347 CG1 ILE A 23 4.948 5.682 0.098 1.00 0.00 C ATOM 348 CG2 ILE A 23 2.592 5.327 -0.647 1.00 0.00 C ATOM 349 CD1 ILE A 23 4.999 4.219 0.538 1.00 0.00 C ATOM 0 H ILE A 23 5.983 6.605 -2.178 1.00 0.00 H new ATOM 0 HA ILE A 23 4.691 4.149 -2.073 1.00 0.00 H new ATOM 0 HB ILE A 23 3.861 6.949 -1.262 1.00 0.00 H new ATOM 0 HG12 ILE A 23 5.941 6.004 -0.215 1.00 0.00 H new ATOM 0 HG13 ILE A 23 4.661 6.308 0.943 1.00 0.00 H new ATOM 0 HG21 ILE A 23 2.245 5.832 0.254 1.00 0.00 H new ATOM 0 HG22 ILE A 23 1.878 5.493 -1.454 1.00 0.00 H new ATOM 0 HG23 ILE A 23 2.679 4.258 -0.453 1.00 0.00 H new ATOM 0 HD11 ILE A 23 5.712 4.109 1.355 1.00 0.00 H new ATOM 0 HD12 ILE A 23 4.011 3.906 0.875 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.310 3.597 -0.301 1.00 0.00 H new ATOM 361 N GLU A 24 3.474 6.169 -4.318 1.00 0.00 N ATOM 362 CA GLU A 24 2.539 6.271 -5.422 1.00 0.00 C ATOM 363 C GLU A 24 2.500 4.950 -6.184 1.00 0.00 C ATOM 364 O GLU A 24 1.450 4.553 -6.688 1.00 0.00 O ATOM 365 CB GLU A 24 2.980 7.416 -6.332 1.00 0.00 C ATOM 366 CG GLU A 24 2.024 7.559 -7.513 1.00 0.00 C ATOM 367 CD GLU A 24 2.473 8.688 -8.431 1.00 0.00 C ATOM 368 OE1 GLU A 24 2.122 9.848 -8.122 1.00 0.00 O ATOM 369 OE2 GLU A 24 3.207 8.378 -9.395 1.00 0.00 O ATOM 0 H GLU A 24 4.185 6.900 -4.304 1.00 0.00 H new ATOM 0 HA GLU A 24 1.535 6.478 -5.052 1.00 0.00 H new ATOM 0 HB2 GLU A 24 3.010 8.347 -5.766 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.991 7.231 -6.695 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.984 6.623 -8.071 1.00 0.00 H new ATOM 0 HG3 GLU A 24 1.016 7.757 -7.150 1.00 0.00 H new ATOM 376 N ASN A 25 3.631 4.238 -6.206 1.00 0.00 N ATOM 377 CA ASN A 25 3.731 2.951 -6.866 1.00 0.00 C ATOM 378 C ASN A 25 2.958 1.893 -6.086 1.00 0.00 C ATOM 379 O ASN A 25 2.326 1.025 -6.682 1.00 0.00 O ATOM 380 CB ASN A 25 5.206 2.562 -6.962 1.00 0.00 C ATOM 381 CG ASN A 25 5.398 1.293 -7.783 1.00 0.00 C ATOM 382 OD1 ASN A 25 5.078 0.201 -7.321 1.00 0.00 O ATOM 383 ND2 ASN A 25 6.008 1.425 -8.962 1.00 0.00 N ATOM 0 H ASN A 25 4.498 4.545 -5.764 1.00 0.00 H new ATOM 0 HA ASN A 25 3.301 3.018 -7.865 1.00 0.00 H new ATOM 0 HB2 ASN A 25 5.770 3.378 -7.415 1.00 0.00 H new ATOM 0 HB3 ASN A 25 5.610 2.413 -5.961 1.00 0.00 H new ATOM 0 HD21 ASN A 25 6.227 0.599 -9.518 1.00 0.00 H new ATOM 0 HD22 ASN A 25 6.256 2.352 -9.307 1.00 0.00 H new ATOM 390 N VAL A 26 2.952 1.999 -4.755 1.00 0.00 N ATOM 391 CA VAL A 26 2.280 1.018 -3.922 1.00 0.00 C ATOM 392 C VAL A 26 0.780 1.069 -4.183 1.00 0.00 C ATOM 393 O VAL A 26 0.102 0.045 -4.121 1.00 0.00 O ATOM 394 CB VAL A 26 2.576 1.309 -2.449 1.00 0.00 C ATOM 395 CG1 VAL A 26 1.947 0.227 -1.572 1.00 0.00 C ATOM 396 CG2 VAL A 26 4.084 1.344 -2.207 1.00 0.00 C ATOM 0 H VAL A 26 3.405 2.754 -4.239 1.00 0.00 H new ATOM 0 HA VAL A 26 2.645 0.020 -4.163 1.00 0.00 H new ATOM 0 HB VAL A 26 2.152 2.280 -2.194 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.160 0.438 -0.524 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.868 0.214 -1.727 1.00 0.00 H new ATOM 0 HG13 VAL A 26 2.363 -0.745 -1.838 1.00 0.00 H new ATOM 0 HG21 VAL A 26 4.279 1.552 -1.155 1.00 0.00 H new ATOM 0 HG22 VAL A 26 4.518 0.380 -2.473 1.00 0.00 H new ATOM 0 HG23 VAL A 26 4.533 2.125 -2.821 1.00 0.00 H new ATOM 406 N LYS A 27 0.263 2.258 -4.507 1.00 0.00 N ATOM 407 CA LYS A 27 -1.148 2.423 -4.797 1.00 0.00 C ATOM 408 C LYS A 27 -1.438 2.018 -6.237 1.00 0.00 C ATOM 409 O LYS A 27 -2.541 1.571 -6.544 1.00 0.00 O ATOM 410 CB LYS A 27 -1.551 3.879 -4.560 1.00 0.00 C ATOM 411 CG LYS A 27 -1.382 4.229 -3.081 1.00 0.00 C ATOM 412 CD LYS A 27 -1.898 5.642 -2.806 1.00 0.00 C ATOM 413 CE LYS A 27 -1.037 6.670 -3.537 1.00 0.00 C ATOM 414 NZ LYS A 27 -1.495 8.041 -3.255 1.00 0.00 N ATOM 0 H LYS A 27 0.809 3.117 -4.573 1.00 0.00 H new ATOM 0 HA LYS A 27 -1.730 1.781 -4.136 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -0.937 4.540 -5.172 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.586 4.033 -4.864 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.925 3.511 -2.466 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.331 4.158 -2.802 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.935 5.728 -3.131 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.883 5.840 -1.734 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.004 6.561 -3.231 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.075 6.484 -4.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.893 8.720 -3.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -2.481 8.149 -3.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.435 8.224 -2.233 1.00 0.00 H new ATOM 428 N ALA A 28 -0.444 2.156 -7.119 1.00 0.00 N ATOM 429 CA ALA A 28 -0.624 1.850 -8.526 1.00 0.00 C ATOM 430 C ALA A 28 -0.643 0.344 -8.759 1.00 0.00 C ATOM 431 O ALA A 28 -1.405 -0.143 -9.591 1.00 0.00 O ATOM 432 CB ALA A 28 0.505 2.492 -9.328 1.00 0.00 C ATOM 0 H ALA A 28 0.492 2.479 -6.875 1.00 0.00 H new ATOM 0 HA ALA A 28 -1.583 2.252 -8.854 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.374 2.265 -10.386 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.485 3.572 -9.183 1.00 0.00 H new ATOM 0 HB3 ALA A 28 1.463 2.098 -8.988 1.00 0.00 H new ATOM 438 N LYS A 29 0.157 -0.402 -7.993 1.00 0.00 N ATOM 439 CA LYS A 29 0.232 -1.844 -8.156 1.00 0.00 C ATOM 440 C LYS A 29 -1.057 -2.493 -7.666 1.00 0.00 C ATOM 441 O LYS A 29 -1.387 -3.604 -8.075 1.00 0.00 O ATOM 442 CB LYS A 29 1.421 -2.381 -7.361 1.00 0.00 C ATOM 443 CG LYS A 29 2.739 -1.811 -7.883 1.00 0.00 C ATOM 444 CD LYS A 29 3.154 -2.479 -9.191 1.00 0.00 C ATOM 445 CE LYS A 29 4.553 -1.986 -9.557 1.00 0.00 C ATOM 446 NZ LYS A 29 5.078 -2.689 -10.737 1.00 0.00 N ATOM 0 H LYS A 29 0.757 -0.027 -7.258 1.00 0.00 H new ATOM 0 HA LYS A 29 0.364 -2.082 -9.212 1.00 0.00 H new ATOM 0 HB2 LYS A 29 1.303 -2.125 -6.308 1.00 0.00 H new ATOM 0 HB3 LYS A 29 1.442 -3.469 -7.424 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.637 -0.737 -8.037 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.520 -1.953 -7.136 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.150 -3.564 -9.082 1.00 0.00 H new ATOM 0 HD3 LYS A 29 2.446 -2.236 -9.983 1.00 0.00 H new ATOM 0 HE2 LYS A 29 4.523 -0.914 -9.754 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.226 -2.136 -8.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 6.029 -2.332 -10.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.129 -3.709 -10.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.448 -2.525 -11.548 1.00 0.00 H new ATOM 460 N ILE A 30 -1.786 -1.807 -6.782 1.00 0.00 N ATOM 461 CA ILE A 30 -3.035 -2.333 -6.265 1.00 0.00 C ATOM 462 C ILE A 30 -4.196 -1.838 -7.120 1.00 0.00 C ATOM 463 O ILE A 30 -5.250 -2.468 -7.153 1.00 0.00 O ATOM 464 CB ILE A 30 -3.203 -1.906 -4.804 1.00 0.00 C ATOM 465 CG1 ILE A 30 -2.106 -2.570 -3.968 1.00 0.00 C ATOM 466 CG2 ILE A 30 -4.577 -2.338 -4.286 1.00 0.00 C ATOM 467 CD1 ILE A 30 -2.100 -2.008 -2.548 1.00 0.00 C ATOM 0 H ILE A 30 -1.528 -0.891 -6.416 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.023 -3.422 -6.306 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.125 -0.821 -4.728 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.266 -3.648 -3.938 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -1.135 -2.405 -4.435 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.687 -2.030 -3.246 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -5.356 -1.870 -4.888 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.667 -3.422 -4.355 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.314 -2.492 -1.969 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.917 -0.934 -2.583 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.065 -2.196 -2.078 1.00 0.00 H new ATOM 479 N GLN A 31 -3.989 -0.739 -7.850 1.00 0.00 N ATOM 480 CA GLN A 31 -5.024 -0.198 -8.710 1.00 0.00 C ATOM 481 C GLN A 31 -5.353 -1.203 -9.806 1.00 0.00 C ATOM 482 O GLN A 31 -6.510 -1.349 -10.191 1.00 0.00 O ATOM 483 CB GLN A 31 -4.542 1.120 -9.314 1.00 0.00 C ATOM 484 CG GLN A 31 -5.647 1.739 -10.166 1.00 0.00 C ATOM 485 CD GLN A 31 -5.159 3.008 -10.852 1.00 0.00 C ATOM 486 OE1 GLN A 31 -5.607 4.105 -10.526 1.00 0.00 O ATOM 487 NE2 GLN A 31 -4.235 2.860 -11.800 1.00 0.00 N ATOM 0 H GLN A 31 -3.115 -0.214 -7.857 1.00 0.00 H new ATOM 0 HA GLN A 31 -5.927 -0.009 -8.130 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -4.254 1.809 -8.520 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -3.655 0.947 -9.924 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -5.979 1.021 -10.915 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -6.509 1.968 -9.540 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -3.892 1.929 -12.037 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -3.870 3.678 -12.289 1.00 0.00 H new ATOM 496 N ASP A 32 -4.334 -1.919 -10.287 1.00 0.00 N ATOM 497 CA ASP A 32 -4.514 -2.922 -11.320 1.00 0.00 C ATOM 498 C ASP A 32 -5.050 -4.213 -10.713 1.00 0.00 C ATOM 499 O ASP A 32 -5.723 -4.988 -11.388 1.00 0.00 O ATOM 500 CB ASP A 32 -3.167 -3.187 -11.990 1.00 0.00 C ATOM 501 CG ASP A 32 -3.316 -4.154 -13.159 1.00 0.00 C ATOM 502 OD1 ASP A 32 -3.132 -5.368 -12.921 1.00 0.00 O ATOM 503 OD2 ASP A 32 -3.439 -3.645 -14.295 1.00 0.00 O ATOM 0 H ASP A 32 -3.370 -1.815 -9.969 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.232 -2.561 -12.057 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -2.742 -2.247 -12.343 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -2.469 -3.598 -11.261 1.00 0.00 H new ATOM 508 N LYS A 33 -4.733 -4.451 -9.438 1.00 0.00 N ATOM 509 CA LYS A 33 -5.066 -5.698 -8.780 1.00 0.00 C ATOM 510 C LYS A 33 -6.504 -5.687 -8.276 1.00 0.00 C ATOM 511 O LYS A 33 -7.306 -6.530 -8.669 1.00 0.00 O ATOM 512 CB LYS A 33 -4.104 -5.903 -7.613 1.00 0.00 C ATOM 513 CG LYS A 33 -4.156 -7.346 -7.114 1.00 0.00 C ATOM 514 CD LYS A 33 -3.360 -8.243 -8.060 1.00 0.00 C ATOM 515 CE LYS A 33 -3.298 -9.655 -7.487 1.00 0.00 C ATOM 516 NZ LYS A 33 -2.459 -10.527 -8.321 1.00 0.00 N ATOM 0 H LYS A 33 -4.241 -3.784 -8.843 1.00 0.00 H new ATOM 0 HA LYS A 33 -4.973 -6.516 -9.495 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.089 -5.658 -7.925 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -4.361 -5.223 -6.801 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.746 -7.408 -6.106 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.190 -7.685 -7.059 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -3.828 -8.258 -9.044 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -2.353 -7.848 -8.192 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -2.899 -9.622 -6.473 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -4.304 -10.068 -7.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -2.434 -11.482 -7.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -2.855 -10.575 -9.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -1.494 -10.143 -8.364 1.00 0.00 H new ATOM 530 N GLU A 34 -6.805 -4.780 -7.344 1.00 0.00 N ATOM 531 CA GLU A 34 -8.107 -4.735 -6.705 1.00 0.00 C ATOM 532 C GLU A 34 -9.053 -3.835 -7.495 1.00 0.00 C ATOM 533 O GLU A 34 -10.261 -3.855 -7.272 1.00 0.00 O ATOM 534 CB GLU A 34 -7.935 -4.214 -5.277 1.00 0.00 C ATOM 535 CG GLU A 34 -9.140 -4.583 -4.413 1.00 0.00 C ATOM 536 CD GLU A 34 -9.324 -6.093 -4.338 1.00 0.00 C ATOM 537 OE1 GLU A 34 -10.265 -6.587 -4.996 1.00 0.00 O ATOM 538 OE2 GLU A 34 -8.581 -6.717 -3.549 1.00 0.00 O ATOM 0 H GLU A 34 -6.154 -4.065 -7.018 1.00 0.00 H new ATOM 0 HA GLU A 34 -8.540 -5.735 -6.678 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -7.028 -4.631 -4.840 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -7.812 -3.131 -5.293 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -9.008 -4.180 -3.409 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -10.039 -4.125 -4.824 1.00 0.00 H new ATOM 545 N GLY A 35 -8.501 -3.040 -8.415 1.00 0.00 N ATOM 546 CA GLY A 35 -9.290 -2.135 -9.231 1.00 0.00 C ATOM 547 C GLY A 35 -9.594 -0.845 -8.474 1.00 0.00 C ATOM 548 O GLY A 35 -10.117 0.104 -9.055 1.00 0.00 O ATOM 0 H GLY A 35 -7.500 -3.011 -8.609 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -8.751 -1.904 -10.150 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -10.222 -2.620 -9.521 1.00 0.00 H new ATOM 552 N ILE A 36 -9.266 -0.809 -7.179 1.00 0.00 N ATOM 553 CA ILE A 36 -9.509 0.359 -6.351 1.00 0.00 C ATOM 554 C ILE A 36 -8.550 1.477 -6.749 1.00 0.00 C ATOM 555 O ILE A 36 -7.335 1.307 -6.661 1.00 0.00 O ATOM 556 CB ILE A 36 -9.319 -0.011 -4.879 1.00 0.00 C ATOM 557 CG1 ILE A 36 -10.254 -1.167 -4.519 1.00 0.00 C ATOM 558 CG2 ILE A 36 -9.628 1.204 -4.004 1.00 0.00 C ATOM 559 CD1 ILE A 36 -10.008 -1.623 -3.082 1.00 0.00 C ATOM 0 H ILE A 36 -8.828 -1.587 -6.685 1.00 0.00 H new ATOM 0 HA ILE A 36 -10.531 0.707 -6.497 1.00 0.00 H new ATOM 0 HB ILE A 36 -8.288 -0.320 -4.709 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -11.292 -0.854 -4.635 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -10.094 -2.000 -5.204 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -9.493 0.941 -2.955 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -8.953 2.020 -4.263 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -10.658 1.519 -4.169 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -10.681 -2.446 -2.841 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -8.975 -1.956 -2.978 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -10.192 -0.793 -2.400 1.00 0.00 H new ATOM 571 N PRO A 37 -9.087 2.625 -7.176 1.00 0.00 N ATOM 572 CA PRO A 37 -8.307 3.773 -7.585 1.00 0.00 C ATOM 573 C PRO A 37 -7.755 4.495 -6.357 1.00 0.00 C ATOM 574 O PRO A 37 -8.179 4.223 -5.235 1.00 0.00 O ATOM 575 CB PRO A 37 -9.286 4.670 -8.340 1.00 0.00 C ATOM 576 CG PRO A 37 -10.637 4.340 -7.705 1.00 0.00 C ATOM 577 CD PRO A 37 -10.507 2.871 -7.306 1.00 0.00 C ATOM 0 HA PRO A 37 -7.453 3.495 -8.203 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -9.035 5.724 -8.224 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -9.283 4.457 -9.409 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -10.837 4.973 -6.840 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -11.456 4.492 -8.408 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -11.026 2.672 -6.368 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -10.950 2.220 -8.060 1.00 0.00 H new ATOM 585 N PRO A 38 -6.865 5.469 -6.575 1.00 0.00 N ATOM 586 CA PRO A 38 -6.283 6.280 -5.525 1.00 0.00 C ATOM 587 C PRO A 38 -7.362 6.992 -4.715 1.00 0.00 C ATOM 588 O PRO A 38 -8.518 7.046 -5.132 1.00 0.00 O ATOM 589 CB PRO A 38 -5.380 7.291 -6.234 1.00 0.00 C ATOM 590 CG PRO A 38 -5.098 6.670 -7.603 1.00 0.00 C ATOM 591 CD PRO A 38 -6.314 5.789 -7.874 1.00 0.00 C ATOM 0 HA PRO A 38 -5.724 5.668 -4.817 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -5.871 8.259 -6.332 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.458 7.456 -5.677 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -4.982 7.435 -8.371 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.178 6.086 -7.593 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -7.045 6.311 -8.491 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -6.030 4.885 -8.412 1.00 0.00 H new ATOM 599 N ASP A 39 -6.960 7.583 -3.584 1.00 0.00 N ATOM 600 CA ASP A 39 -7.829 8.354 -2.705 1.00 0.00 C ATOM 601 C ASP A 39 -8.768 7.446 -1.920 1.00 0.00 C ATOM 602 O ASP A 39 -8.829 7.532 -0.695 1.00 0.00 O ATOM 603 CB ASP A 39 -8.614 9.393 -3.505 1.00 0.00 C ATOM 604 CG ASP A 39 -9.278 10.396 -2.571 1.00 0.00 C ATOM 605 OD1 ASP A 39 -10.431 10.124 -2.172 1.00 0.00 O ATOM 606 OD2 ASP A 39 -8.589 11.373 -2.203 1.00 0.00 O ATOM 0 H ASP A 39 -5.997 7.534 -3.252 1.00 0.00 H new ATOM 0 HA ASP A 39 -7.201 8.878 -1.985 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -7.945 9.913 -4.191 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -9.371 8.897 -4.113 1.00 0.00 H new ATOM 611 N GLN A 40 -9.496 6.570 -2.617 1.00 0.00 N ATOM 612 CA GLN A 40 -10.399 5.646 -1.958 1.00 0.00 C ATOM 613 C GLN A 40 -9.594 4.699 -1.075 1.00 0.00 C ATOM 614 O GLN A 40 -10.145 4.078 -0.169 1.00 0.00 O ATOM 615 CB GLN A 40 -11.206 4.871 -3.001 1.00 0.00 C ATOM 616 CG GLN A 40 -12.205 5.812 -3.672 1.00 0.00 C ATOM 617 CD GLN A 40 -13.031 5.084 -4.726 1.00 0.00 C ATOM 618 OE1 GLN A 40 -13.661 4.070 -4.433 1.00 0.00 O ATOM 619 NE2 GLN A 40 -13.073 5.632 -5.941 1.00 0.00 N ATOM 0 H GLN A 40 -9.473 6.487 -3.633 1.00 0.00 H new ATOM 0 HA GLN A 40 -11.100 6.198 -1.331 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -10.538 4.440 -3.747 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -11.732 4.042 -2.527 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -12.867 6.239 -2.919 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -11.671 6.642 -4.135 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -12.533 6.474 -6.139 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -13.645 5.209 -6.672 1.00 0.00 H new ATOM 628 N GLN A 41 -8.285 4.615 -1.324 1.00 0.00 N ATOM 629 CA GLN A 41 -7.394 3.800 -0.520 1.00 0.00 C ATOM 630 C GLN A 41 -6.359 4.685 0.167 1.00 0.00 C ATOM 631 O GLN A 41 -5.967 5.716 -0.373 1.00 0.00 O ATOM 632 CB GLN A 41 -6.732 2.750 -1.410 1.00 0.00 C ATOM 633 CG GLN A 41 -5.799 3.425 -2.416 1.00 0.00 C ATOM 634 CD GLN A 41 -5.242 2.413 -3.406 1.00 0.00 C ATOM 635 OE1 GLN A 41 -4.389 1.600 -3.055 1.00 0.00 O ATOM 636 NE2 GLN A 41 -5.731 2.455 -4.645 1.00 0.00 N ATOM 0 H GLN A 41 -7.822 5.110 -2.086 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.958 3.285 0.258 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.170 2.045 -0.797 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.494 2.177 -1.937 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -6.340 4.205 -2.953 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -4.979 3.912 -1.888 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -6.438 3.148 -4.891 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -5.398 1.795 -5.347 1.00 0.00 H new ATOM 645 N ARG A 42 -5.858 4.228 1.319 1.00 0.00 N ATOM 646 CA ARG A 42 -4.853 4.942 2.091 1.00 0.00 C ATOM 647 C ARG A 42 -3.930 3.924 2.747 1.00 0.00 C ATOM 648 O ARG A 42 -4.386 2.874 3.193 1.00 0.00 O ATOM 649 CB ARG A 42 -5.549 5.807 3.141 1.00 0.00 C ATOM 650 CG ARG A 42 -5.996 7.128 2.514 1.00 0.00 C ATOM 651 CD ARG A 42 -7.194 7.691 3.273 1.00 0.00 C ATOM 652 NE ARG A 42 -8.407 6.928 2.963 1.00 0.00 N ATOM 653 CZ ARG A 42 -9.136 6.268 3.874 1.00 0.00 C ATOM 654 NH1 ARG A 42 -8.784 6.294 5.166 1.00 0.00 N ATOM 655 NH2 ARG A 42 -10.214 5.572 3.490 1.00 0.00 N ATOM 0 H ARG A 42 -6.145 3.344 1.740 1.00 0.00 H new ATOM 0 HA ARG A 42 -4.261 5.592 1.447 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -6.411 5.278 3.548 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -4.872 6.000 3.973 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -5.175 7.844 2.533 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -6.259 6.972 1.468 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -7.001 7.657 4.345 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -7.339 8.738 3.008 1.00 0.00 H new ATOM 0 HE ARG A 42 -8.716 6.897 1.991 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -7.959 6.817 5.459 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -9.341 5.791 5.857 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -10.479 5.545 2.505 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -10.770 5.069 4.182 1.00 0.00 H new ATOM 669 N LEU A 43 -2.632 4.234 2.806 1.00 0.00 N ATOM 670 CA LEU A 43 -1.634 3.287 3.272 1.00 0.00 C ATOM 671 C LEU A 43 -1.157 3.642 4.674 1.00 0.00 C ATOM 672 O LEU A 43 -1.202 4.801 5.081 1.00 0.00 O ATOM 673 CB LEU A 43 -0.453 3.308 2.303 1.00 0.00 C ATOM 674 CG LEU A 43 -0.740 2.431 1.086 1.00 0.00 C ATOM 675 CD1 LEU A 43 0.331 2.685 0.030 1.00 0.00 C ATOM 676 CD2 LEU A 43 -0.706 0.955 1.483 1.00 0.00 C ATOM 0 H LEU A 43 -2.253 5.141 2.533 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.076 2.291 3.310 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.257 4.331 1.982 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.446 2.955 2.809 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.727 2.674 0.692 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.135 2.063 -0.844 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.313 3.735 -0.261 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.311 2.438 0.439 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.912 0.338 0.608 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.279 0.707 1.878 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.461 0.766 2.246 1.00 0.00 H new ATOM 688 N ALA A 44 -0.642 2.635 5.385 1.00 0.00 N ATOM 689 CA ALA A 44 -0.064 2.806 6.704 1.00 0.00 C ATOM 690 C ALA A 44 0.882 1.641 6.994 1.00 0.00 C ATOM 691 O ALA A 44 0.901 0.658 6.255 1.00 0.00 O ATOM 692 CB ALA A 44 -1.179 2.862 7.743 1.00 0.00 C ATOM 0 H ALA A 44 -0.618 1.672 5.050 1.00 0.00 H new ATOM 0 HA ALA A 44 0.500 3.738 6.747 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.746 2.990 8.735 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.839 3.701 7.524 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.750 1.934 7.714 1.00 0.00 H new ATOM 698 N PHE A 45 1.660 1.752 8.072 1.00 0.00 N ATOM 699 CA PHE A 45 2.600 0.722 8.473 1.00 0.00 C ATOM 700 C PHE A 45 2.683 0.666 9.994 1.00 0.00 C ATOM 701 O PHE A 45 3.186 1.598 10.617 1.00 0.00 O ATOM 702 CB PHE A 45 3.970 1.021 7.865 1.00 0.00 C ATOM 703 CG PHE A 45 4.939 -0.137 7.952 1.00 0.00 C ATOM 704 CD1 PHE A 45 5.449 -0.534 9.196 1.00 0.00 C ATOM 705 CD2 PHE A 45 5.327 -0.815 6.789 1.00 0.00 C ATOM 706 CE1 PHE A 45 6.342 -1.611 9.276 1.00 0.00 C ATOM 707 CE2 PHE A 45 6.219 -1.892 6.870 1.00 0.00 C ATOM 708 CZ PHE A 45 6.726 -2.290 8.113 1.00 0.00 C ATOM 0 H PHE A 45 1.650 2.564 8.689 1.00 0.00 H new ATOM 0 HA PHE A 45 2.261 -0.249 8.111 1.00 0.00 H new ATOM 0 HB2 PHE A 45 3.841 1.297 6.819 1.00 0.00 H new ATOM 0 HB3 PHE A 45 4.402 1.884 8.372 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.154 -0.010 10.093 1.00 0.00 H new ATOM 0 HD2 PHE A 45 4.938 -0.507 5.830 1.00 0.00 H new ATOM 0 HE1 PHE A 45 6.734 -1.917 10.235 1.00 0.00 H new ATOM 0 HE2 PHE A 45 6.516 -2.416 5.973 1.00 0.00 H new ATOM 0 HZ PHE A 45 7.413 -3.121 8.175 1.00 0.00 H new ATOM 718 N ALA A 46 2.225 -0.439 10.589 1.00 0.00 N ATOM 719 CA ALA A 46 2.259 -0.617 12.032 1.00 0.00 C ATOM 720 C ALA A 46 1.590 0.556 12.749 1.00 0.00 C ATOM 721 O ALA A 46 1.859 0.799 13.923 1.00 0.00 O ATOM 722 CB ALA A 46 3.705 -0.801 12.490 1.00 0.00 C ATOM 0 H ALA A 46 1.824 -1.228 10.082 1.00 0.00 H new ATOM 0 HA ALA A 46 1.694 -1.512 12.292 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.730 -0.934 13.572 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.131 -1.680 12.006 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.287 0.080 12.220 1.00 0.00 H new ATOM 728 N GLY A 47 0.725 1.288 12.041 1.00 0.00 N ATOM 729 CA GLY A 47 -0.009 2.404 12.611 1.00 0.00 C ATOM 730 C GLY A 47 0.532 3.735 12.101 1.00 0.00 C ATOM 731 O GLY A 47 -0.140 4.758 12.217 1.00 0.00 O ATOM 0 H GLY A 47 0.519 1.117 11.057 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.065 2.316 12.357 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.061 2.372 13.698 1.00 0.00 H new ATOM 735 N LYS A 48 1.722 3.722 11.496 1.00 0.00 N ATOM 736 CA LYS A 48 2.283 4.922 10.905 1.00 0.00 C ATOM 737 C LYS A 48 1.631 5.139 9.550 1.00 0.00 C ATOM 738 O LYS A 48 1.787 4.310 8.658 1.00 0.00 O ATOM 739 CB LYS A 48 3.792 4.745 10.724 1.00 0.00 C ATOM 740 CG LYS A 48 4.466 4.384 12.046 1.00 0.00 C ATOM 741 CD LYS A 48 5.951 4.135 11.792 1.00 0.00 C ATOM 742 CE LYS A 48 6.634 3.693 13.084 1.00 0.00 C ATOM 743 NZ LYS A 48 8.064 3.421 12.859 1.00 0.00 N ATOM 0 H LYS A 48 2.308 2.892 11.407 1.00 0.00 H new ATOM 0 HA LYS A 48 2.100 5.780 11.552 1.00 0.00 H new ATOM 0 HB2 LYS A 48 3.984 3.963 9.989 1.00 0.00 H new ATOM 0 HB3 LYS A 48 4.225 5.665 10.331 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.337 5.191 12.768 1.00 0.00 H new ATOM 0 HG3 LYS A 48 4.003 3.496 12.475 1.00 0.00 H new ATOM 0 HD2 LYS A 48 6.074 3.370 11.026 1.00 0.00 H new ATOM 0 HD3 LYS A 48 6.421 5.043 11.414 1.00 0.00 H new ATOM 0 HE2 LYS A 48 6.523 4.468 13.842 1.00 0.00 H new ATOM 0 HE3 LYS A 48 6.146 2.798 13.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 8.505 3.122 13.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 8.167 2.665 12.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 8.531 4.283 12.513 1.00 0.00 H new ATOM 757 N GLN A 49 0.933 6.259 9.364 1.00 0.00 N ATOM 758 CA GLN A 49 0.310 6.517 8.081 1.00 0.00 C ATOM 759 C GLN A 49 1.411 6.769 7.058 1.00 0.00 C ATOM 760 O GLN A 49 2.414 7.408 7.372 1.00 0.00 O ATOM 761 CB GLN A 49 -0.628 7.719 8.186 1.00 0.00 C ATOM 762 CG GLN A 49 -0.895 8.289 6.792 1.00 0.00 C ATOM 763 CD GLN A 49 -1.983 9.352 6.831 1.00 0.00 C ATOM 764 OE1 GLN A 49 -2.094 10.097 7.801 1.00 0.00 O ATOM 765 NE2 GLN A 49 -2.815 9.393 5.789 1.00 0.00 N ATOM 0 H GLN A 49 0.791 6.981 10.070 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.286 5.660 7.768 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -1.567 7.420 8.653 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -0.184 8.484 8.823 1.00 0.00 H new ATOM 0 HG2 GLN A 49 0.023 8.719 6.390 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -1.192 7.485 6.118 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -2.683 8.754 5.005 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -3.583 10.064 5.776 1.00 0.00 H new ATOM 774 N LEU A 50 1.233 6.255 5.839 1.00 0.00 N ATOM 775 CA LEU A 50 2.200 6.465 4.778 1.00 0.00 C ATOM 776 C LEU A 50 1.700 7.559 3.845 1.00 0.00 C ATOM 777 O LEU A 50 0.496 7.785 3.734 1.00 0.00 O ATOM 778 CB LEU A 50 2.418 5.159 4.013 1.00 0.00 C ATOM 779 CG LEU A 50 2.990 4.077 4.932 1.00 0.00 C ATOM 780 CD1 LEU A 50 3.167 2.786 4.136 1.00 0.00 C ATOM 781 CD2 LEU A 50 4.349 4.502 5.483 1.00 0.00 C ATOM 0 H LEU A 50 0.426 5.692 5.570 1.00 0.00 H new ATOM 0 HA LEU A 50 3.153 6.778 5.205 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.473 4.819 3.589 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.099 5.331 3.179 1.00 0.00 H new ATOM 0 HG LEU A 50 2.300 3.924 5.762 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.574 2.011 4.785 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.201 2.463 3.747 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.852 2.961 3.306 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.739 3.719 6.134 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.041 4.665 4.657 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.238 5.425 6.052 1.00 0.00 H new ATOM 793 N GLU A 51 2.631 8.224 3.158 1.00 0.00 N ATOM 794 CA GLU A 51 2.306 9.289 2.231 1.00 0.00 C ATOM 795 C GLU A 51 3.291 9.247 1.070 1.00 0.00 C ATOM 796 O GLU A 51 4.423 8.794 1.236 1.00 0.00 O ATOM 797 CB GLU A 51 2.379 10.623 2.976 1.00 0.00 C ATOM 798 CG GLU A 51 1.900 11.769 2.088 1.00 0.00 C ATOM 799 CD GLU A 51 1.906 13.083 2.860 1.00 0.00 C ATOM 800 OE1 GLU A 51 3.016 13.632 3.037 1.00 0.00 O ATOM 801 OE2 GLU A 51 0.819 13.461 3.350 1.00 0.00 O ATOM 0 H GLU A 51 3.630 8.033 3.235 1.00 0.00 H new ATOM 0 HA GLU A 51 1.299 9.169 1.831 1.00 0.00 H new ATOM 0 HB2 GLU A 51 1.767 10.575 3.877 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.404 10.810 3.296 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.544 11.852 1.213 1.00 0.00 H new ATOM 0 HG3 GLU A 51 0.894 11.559 1.725 1.00 0.00 H new ATOM 808 N ASP A 52 2.851 9.671 -0.117 1.00 0.00 N ATOM 809 CA ASP A 52 3.704 9.660 -1.290 1.00 0.00 C ATOM 810 C ASP A 52 4.547 10.927 -1.345 1.00 0.00 C ATOM 811 O ASP A 52 4.258 11.906 -0.660 1.00 0.00 O ATOM 812 CB ASP A 52 2.852 9.515 -2.551 1.00 0.00 C ATOM 813 CG ASP A 52 1.862 10.663 -2.691 1.00 0.00 C ATOM 814 OD1 ASP A 52 0.946 10.723 -1.842 1.00 0.00 O ATOM 815 OD2 ASP A 52 1.904 11.315 -3.757 1.00 0.00 O ATOM 0 H ASP A 52 1.909 10.024 -0.283 1.00 0.00 H new ATOM 0 HA ASP A 52 4.381 8.808 -1.230 1.00 0.00 H new ATOM 0 HB2 ASP A 52 3.500 9.483 -3.427 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.312 8.569 -2.519 1.00 0.00 H new ATOM 820 N GLY A 53 5.613 10.883 -2.145 1.00 0.00 N ATOM 821 CA GLY A 53 6.529 11.996 -2.302 1.00 0.00 C ATOM 822 C GLY A 53 7.920 11.615 -1.807 1.00 0.00 C ATOM 823 O GLY A 53 8.834 12.436 -1.846 1.00 0.00 O ATOM 0 H GLY A 53 5.860 10.065 -2.703 1.00 0.00 H new ATOM 0 HA2 GLY A 53 6.577 12.290 -3.350 1.00 0.00 H new ATOM 0 HA3 GLY A 53 6.162 12.858 -1.746 1.00 0.00 H new ATOM 827 N ARG A 54 8.069 10.389 -1.294 1.00 0.00 N ATOM 828 CA ARG A 54 9.329 9.940 -0.732 1.00 0.00 C ATOM 829 C ARG A 54 9.594 8.486 -1.120 1.00 0.00 C ATOM 830 O ARG A 54 8.657 7.729 -1.370 1.00 0.00 O ATOM 831 CB ARG A 54 9.251 10.111 0.784 1.00 0.00 C ATOM 832 CG ARG A 54 10.632 10.043 1.428 1.00 0.00 C ATOM 833 CD ARG A 54 10.480 10.390 2.907 1.00 0.00 C ATOM 834 NE ARG A 54 11.781 10.505 3.568 1.00 0.00 N ATOM 835 CZ ARG A 54 11.976 11.217 4.687 1.00 0.00 C ATOM 836 NH1 ARG A 54 10.953 11.879 5.248 1.00 0.00 N ATOM 837 NH2 ARG A 54 13.180 11.236 5.267 1.00 0.00 N ATOM 0 H ARG A 54 7.324 9.694 -1.261 1.00 0.00 H new ATOM 0 HA ARG A 54 10.159 10.529 -1.122 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.786 11.068 1.019 1.00 0.00 H new ATOM 0 HB3 ARG A 54 8.613 9.334 1.206 1.00 0.00 H new ATOM 0 HG2 ARG A 54 11.058 9.046 1.312 1.00 0.00 H new ATOM 0 HG3 ARG A 54 11.314 10.740 0.941 1.00 0.00 H new ATOM 0 HD2 ARG A 54 9.936 11.329 3.007 1.00 0.00 H new ATOM 0 HD3 ARG A 54 9.886 9.622 3.403 1.00 0.00 H new ATOM 0 HE ARG A 54 12.578 10.020 3.157 1.00 0.00 H new ATOM 0 HH11 ARG A 54 10.026 11.841 4.823 1.00 0.00 H new ATOM 0 HH12 ARG A 54 11.102 12.421 6.099 1.00 0.00 H new ATOM 0 HH21 ARG A 54 13.951 10.708 4.858 1.00 0.00 H new ATOM 0 HH22 ARG A 54 13.327 11.778 6.118 1.00 0.00 H new ATOM 851 N THR A 55 10.869 8.083 -1.112 1.00 0.00 N ATOM 852 CA THR A 55 11.269 6.713 -1.396 1.00 0.00 C ATOM 853 C THR A 55 10.607 5.783 -0.384 1.00 0.00 C ATOM 854 O THR A 55 10.849 5.899 0.816 1.00 0.00 O ATOM 855 CB THR A 55 12.792 6.621 -1.305 1.00 0.00 C ATOM 856 OG1 THR A 55 13.372 7.530 -2.213 1.00 0.00 O ATOM 857 CG2 THR A 55 13.261 5.210 -1.643 1.00 0.00 C ATOM 0 H THR A 55 11.651 8.705 -0.907 1.00 0.00 H new ATOM 0 HA THR A 55 10.955 6.417 -2.397 1.00 0.00 H new ATOM 0 HB THR A 55 13.097 6.863 -0.287 1.00 0.00 H new ATOM 0 HG1 THR A 55 14.349 7.473 -2.154 1.00 0.00 H new ATOM 0 HG21 THR A 55 14.348 5.161 -1.574 1.00 0.00 H new ATOM 0 HG22 THR A 55 12.820 4.502 -0.941 1.00 0.00 H new ATOM 0 HG23 THR A 55 12.951 4.956 -2.657 1.00 0.00 H new ATOM 865 N LEU A 56 9.752 4.876 -0.863 1.00 0.00 N ATOM 866 CA LEU A 56 8.972 4.023 0.014 1.00 0.00 C ATOM 867 C LEU A 56 9.861 3.055 0.788 1.00 0.00 C ATOM 868 O LEU A 56 9.571 2.749 1.943 1.00 0.00 O ATOM 869 CB LEU A 56 7.927 3.268 -0.815 1.00 0.00 C ATOM 870 CG LEU A 56 8.575 2.335 -1.842 1.00 0.00 C ATOM 871 CD1 LEU A 56 8.725 0.929 -1.262 1.00 0.00 C ATOM 872 CD2 LEU A 56 7.677 2.249 -3.072 1.00 0.00 C ATOM 0 H LEU A 56 9.588 4.719 -1.857 1.00 0.00 H new ATOM 0 HA LEU A 56 8.465 4.646 0.751 1.00 0.00 H new ATOM 0 HB2 LEU A 56 7.287 2.687 -0.150 1.00 0.00 H new ATOM 0 HB3 LEU A 56 7.286 3.984 -1.329 1.00 0.00 H new ATOM 0 HG LEU A 56 9.557 2.729 -2.104 1.00 0.00 H new ATOM 0 HD11 LEU A 56 9.187 0.277 -2.003 1.00 0.00 H new ATOM 0 HD12 LEU A 56 9.352 0.968 -0.372 1.00 0.00 H new ATOM 0 HD13 LEU A 56 7.743 0.538 -0.997 1.00 0.00 H new ATOM 0 HD21 LEU A 56 8.131 1.586 -3.809 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.702 1.857 -2.784 1.00 0.00 H new ATOM 0 HD23 LEU A 56 7.555 3.242 -3.504 1.00 0.00 H new ATOM 884 N SER A 57 10.970 2.616 0.187 1.00 0.00 N ATOM 885 CA SER A 57 11.842 1.655 0.839 1.00 0.00 C ATOM 886 C SER A 57 12.669 2.339 1.920 1.00 0.00 C ATOM 887 O SER A 57 13.206 1.674 2.804 1.00 0.00 O ATOM 888 CB SER A 57 12.755 1.006 -0.197 1.00 0.00 C ATOM 889 OG SER A 57 11.973 0.284 -1.120 1.00 0.00 O ATOM 0 H SER A 57 11.277 2.911 -0.740 1.00 0.00 H new ATOM 0 HA SER A 57 11.233 0.883 1.310 1.00 0.00 H new ATOM 0 HB2 SER A 57 13.337 1.769 -0.714 1.00 0.00 H new ATOM 0 HB3 SER A 57 13.466 0.341 0.294 1.00 0.00 H new ATOM 0 HG SER A 57 12.422 -0.559 -1.341 1.00 0.00 H new ATOM 895 N ASP A 58 12.760 3.667 1.860 1.00 0.00 N ATOM 896 CA ASP A 58 13.478 4.430 2.861 1.00 0.00 C ATOM 897 C ASP A 58 12.512 4.888 3.947 1.00 0.00 C ATOM 898 O ASP A 58 12.938 5.310 5.020 1.00 0.00 O ATOM 899 CB ASP A 58 14.143 5.630 2.191 1.00 0.00 C ATOM 900 CG ASP A 58 14.963 6.434 3.190 1.00 0.00 C ATOM 901 OD1 ASP A 58 14.634 7.627 3.365 1.00 0.00 O ATOM 902 OD2 ASP A 58 15.936 5.857 3.722 1.00 0.00 O ATOM 0 H ASP A 58 12.341 4.232 1.122 1.00 0.00 H new ATOM 0 HA ASP A 58 14.246 3.810 3.323 1.00 0.00 H new ATOM 0 HB2 ASP A 58 14.787 5.287 1.381 1.00 0.00 H new ATOM 0 HB3 ASP A 58 13.381 6.269 1.744 1.00 0.00 H new ATOM 907 N TYR A 59 11.210 4.790 3.670 1.00 0.00 N ATOM 908 CA TYR A 59 10.192 5.260 4.588 1.00 0.00 C ATOM 909 C TYR A 59 9.900 4.219 5.666 1.00 0.00 C ATOM 910 O TYR A 59 10.240 4.427 6.829 1.00 0.00 O ATOM 911 CB TYR A 59 8.929 5.617 3.806 1.00 0.00 C ATOM 912 CG TYR A 59 8.197 6.811 4.373 1.00 0.00 C ATOM 913 CD1 TYR A 59 7.772 7.838 3.520 1.00 0.00 C ATOM 914 CD2 TYR A 59 7.963 6.901 5.752 1.00 0.00 C ATOM 915 CE1 TYR A 59 7.107 8.955 4.040 1.00 0.00 C ATOM 916 CE2 TYR A 59 7.301 8.015 6.280 1.00 0.00 C ATOM 917 CZ TYR A 59 6.868 9.048 5.426 1.00 0.00 C ATOM 918 OH TYR A 59 6.223 10.134 5.937 1.00 0.00 O ATOM 0 H TYR A 59 10.843 4.385 2.809 1.00 0.00 H new ATOM 0 HA TYR A 59 10.557 6.153 5.096 1.00 0.00 H new ATOM 0 HB2 TYR A 59 9.197 5.821 2.769 1.00 0.00 H new ATOM 0 HB3 TYR A 59 8.259 4.758 3.799 1.00 0.00 H new ATOM 0 HD1 TYR A 59 7.958 7.768 2.458 1.00 0.00 H new ATOM 0 HD2 TYR A 59 8.294 6.109 6.408 1.00 0.00 H new ATOM 0 HE1 TYR A 59 6.778 9.744 3.380 1.00 0.00 H new ATOM 0 HE2 TYR A 59 7.122 8.083 7.343 1.00 0.00 H new ATOM 0 HH TYR A 59 6.140 10.038 6.909 1.00 0.00 H new ATOM 928 N ASN A 60 9.228 3.123 5.298 1.00 0.00 N ATOM 929 CA ASN A 60 8.841 2.107 6.265 1.00 0.00 C ATOM 930 C ASN A 60 8.816 0.724 5.622 1.00 0.00 C ATOM 931 O ASN A 60 8.919 -0.280 6.323 1.00 0.00 O ATOM 932 CB ASN A 60 7.454 2.435 6.819 1.00 0.00 C ATOM 933 CG ASN A 60 7.533 3.462 7.941 1.00 0.00 C ATOM 934 OD1 ASN A 60 8.184 3.226 8.956 1.00 0.00 O ATOM 935 ND2 ASN A 60 6.820 4.577 7.784 1.00 0.00 N ATOM 0 H ASN A 60 8.944 2.923 4.339 1.00 0.00 H new ATOM 0 HA ASN A 60 9.574 2.100 7.072 1.00 0.00 H new ATOM 0 HB2 ASN A 60 6.821 2.817 6.018 1.00 0.00 H new ATOM 0 HB3 ASN A 60 6.984 1.524 7.190 1.00 0.00 H new ATOM 0 HD21 ASN A 60 6.800 5.278 8.525 1.00 0.00 H new ATOM 0 HD22 ASN A 60 6.295 4.730 6.923 1.00 0.00 H new ATOM 942 N ILE A 61 8.602 0.662 4.305 1.00 0.00 N ATOM 943 CA ILE A 61 8.500 -0.607 3.605 1.00 0.00 C ATOM 944 C ILE A 61 9.749 -1.439 3.865 1.00 0.00 C ATOM 945 O ILE A 61 10.862 -0.918 3.847 1.00 0.00 O ATOM 946 CB ILE A 61 8.301 -0.353 2.108 1.00 0.00 C ATOM 947 CG1 ILE A 61 6.823 -0.082 1.824 1.00 0.00 C ATOM 948 CG2 ILE A 61 8.716 -1.593 1.319 1.00 0.00 C ATOM 949 CD1 ILE A 61 6.425 1.304 2.328 1.00 0.00 C ATOM 0 H ILE A 61 8.497 1.482 3.707 1.00 0.00 H new ATOM 0 HA ILE A 61 7.639 -1.165 3.973 1.00 0.00 H new ATOM 0 HB ILE A 61 8.906 0.504 1.813 1.00 0.00 H new ATOM 0 HG12 ILE A 61 6.634 -0.154 0.753 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.209 -0.841 2.308 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.574 -1.411 0.254 1.00 0.00 H new ATOM 0 HG22 ILE A 61 9.766 -1.813 1.513 1.00 0.00 H new ATOM 0 HG23 ILE A 61 8.105 -2.441 1.627 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.370 1.479 2.117 1.00 0.00 H new ATOM 0 HD12 ILE A 61 6.595 1.363 3.403 1.00 0.00 H new ATOM 0 HD13 ILE A 61 7.026 2.061 1.824 1.00 0.00 H new ATOM 961 N GLN A 62 9.560 -2.742 4.095 1.00 0.00 N ATOM 962 CA GLN A 62 10.657 -3.653 4.357 1.00 0.00 C ATOM 963 C GLN A 62 10.498 -4.897 3.492 1.00 0.00 C ATOM 964 O GLN A 62 9.448 -5.105 2.886 1.00 0.00 O ATOM 965 CB GLN A 62 10.668 -4.022 5.840 1.00 0.00 C ATOM 966 CG GLN A 62 11.235 -2.865 6.659 1.00 0.00 C ATOM 967 CD GLN A 62 11.183 -3.173 8.150 1.00 0.00 C ATOM 968 OE1 GLN A 62 10.534 -4.130 8.568 1.00 0.00 O ATOM 969 NE2 GLN A 62 11.870 -2.362 8.955 1.00 0.00 N ATOM 0 H GLN A 62 8.641 -3.185 4.103 1.00 0.00 H new ATOM 0 HA GLN A 62 11.605 -3.176 4.111 1.00 0.00 H new ATOM 0 HB2 GLN A 62 9.656 -4.254 6.174 1.00 0.00 H new ATOM 0 HB3 GLN A 62 11.268 -4.918 5.996 1.00 0.00 H new ATOM 0 HG2 GLN A 62 12.265 -2.674 6.360 1.00 0.00 H new ATOM 0 HG3 GLN A 62 10.669 -1.957 6.452 1.00 0.00 H new ATOM 0 HE21 GLN A 62 12.395 -1.580 8.564 1.00 0.00 H new ATOM 0 HE22 GLN A 62 11.871 -2.524 9.962 1.00 0.00 H new ATOM 978 N LYS A 63 11.542 -5.726 3.444 1.00 0.00 N ATOM 979 CA LYS A 63 11.545 -6.934 2.640 1.00 0.00 C ATOM 980 C LYS A 63 10.458 -7.894 3.111 1.00 0.00 C ATOM 981 O LYS A 63 10.457 -8.318 4.265 1.00 0.00 O ATOM 982 CB LYS A 63 12.930 -7.585 2.699 1.00 0.00 C ATOM 983 CG LYS A 63 13.355 -7.857 4.142 1.00 0.00 C ATOM 984 CD LYS A 63 14.769 -8.433 4.152 1.00 0.00 C ATOM 985 CE LYS A 63 15.191 -8.730 5.590 1.00 0.00 C ATOM 986 NZ LYS A 63 16.562 -9.263 5.640 1.00 0.00 N ATOM 0 H LYS A 63 12.406 -5.573 3.964 1.00 0.00 H new ATOM 0 HA LYS A 63 11.327 -6.678 1.603 1.00 0.00 H new ATOM 0 HB2 LYS A 63 12.919 -8.520 2.139 1.00 0.00 H new ATOM 0 HB3 LYS A 63 13.661 -6.934 2.219 1.00 0.00 H new ATOM 0 HG2 LYS A 63 13.321 -6.935 4.723 1.00 0.00 H new ATOM 0 HG3 LYS A 63 12.662 -8.555 4.612 1.00 0.00 H new ATOM 0 HD2 LYS A 63 14.805 -9.345 3.556 1.00 0.00 H new ATOM 0 HD3 LYS A 63 15.463 -7.727 3.697 1.00 0.00 H new ATOM 0 HE2 LYS A 63 15.129 -7.819 6.186 1.00 0.00 H new ATOM 0 HE3 LYS A 63 14.502 -9.448 6.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 16.824 -9.456 6.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 16.612 -10.144 5.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 17.220 -8.566 5.238 1.00 0.00 H new ATOM 1000 N GLU A 64 9.539 -8.244 2.204 1.00 0.00 N ATOM 1001 CA GLU A 64 8.471 -9.188 2.485 1.00 0.00 C ATOM 1002 C GLU A 64 7.826 -8.886 3.833 1.00 0.00 C ATOM 1003 O GLU A 64 7.529 -9.801 4.600 1.00 0.00 O ATOM 1004 CB GLU A 64 9.024 -10.612 2.433 1.00 0.00 C ATOM 1005 CG GLU A 64 9.498 -10.941 1.016 1.00 0.00 C ATOM 1006 CD GLU A 64 10.876 -10.354 0.733 1.00 0.00 C ATOM 1007 OE1 GLU A 64 10.927 -9.362 -0.026 1.00 0.00 O ATOM 1008 OE2 GLU A 64 11.862 -10.952 1.218 1.00 0.00 O ATOM 0 H GLU A 64 9.522 -7.875 1.253 1.00 0.00 H new ATOM 0 HA GLU A 64 7.693 -9.091 1.727 1.00 0.00 H new ATOM 0 HB2 GLU A 64 9.852 -10.715 3.135 1.00 0.00 H new ATOM 0 HB3 GLU A 64 8.255 -11.320 2.741 1.00 0.00 H new ATOM 0 HG2 GLU A 64 9.529 -12.023 0.884 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.781 -10.552 0.293 1.00 0.00 H new ATOM 1015 N SER A 65 7.587 -7.601 4.107 1.00 0.00 N ATOM 1016 CA SER A 65 6.964 -7.178 5.345 1.00 0.00 C ATOM 1017 C SER A 65 5.490 -6.872 5.110 1.00 0.00 C ATOM 1018 O SER A 65 5.038 -6.828 3.966 1.00 0.00 O ATOM 1019 CB SER A 65 7.701 -5.956 5.887 1.00 0.00 C ATOM 1020 OG SER A 65 7.578 -5.914 7.291 1.00 0.00 O ATOM 0 H SER A 65 7.822 -6.835 3.475 1.00 0.00 H new ATOM 0 HA SER A 65 7.026 -7.978 6.082 1.00 0.00 H new ATOM 0 HB2 SER A 65 8.753 -5.999 5.605 1.00 0.00 H new ATOM 0 HB3 SER A 65 7.290 -5.047 5.448 1.00 0.00 H new ATOM 0 HG SER A 65 8.053 -5.130 7.638 1.00 0.00 H new ATOM 1026 N THR A 66 4.740 -6.656 6.194 1.00 0.00 N ATOM 1027 CA THR A 66 3.309 -6.434 6.108 1.00 0.00 C ATOM 1028 C THR A 66 2.981 -4.952 6.240 1.00 0.00 C ATOM 1029 O THR A 66 3.505 -4.270 7.119 1.00 0.00 O ATOM 1030 CB THR A 66 2.607 -7.243 7.197 1.00 0.00 C ATOM 1031 OG1 THR A 66 3.016 -8.589 7.116 1.00 0.00 O ATOM 1032 CG2 THR A 66 1.093 -7.163 7.012 1.00 0.00 C ATOM 0 H THR A 66 5.111 -6.632 7.144 1.00 0.00 H new ATOM 0 HA THR A 66 2.955 -6.764 5.131 1.00 0.00 H new ATOM 0 HB THR A 66 2.871 -6.835 8.172 1.00 0.00 H new ATOM 0 HG1 THR A 66 2.568 -9.110 7.815 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.600 -7.743 7.793 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.773 -6.123 7.075 1.00 0.00 H new ATOM 0 HG23 THR A 66 0.824 -7.566 6.036 1.00 0.00 H new ATOM 1040 N LEU A 67 2.087 -4.466 5.374 1.00 0.00 N ATOM 1041 CA LEU A 67 1.613 -3.096 5.408 1.00 0.00 C ATOM 1042 C LEU A 67 0.164 -3.092 5.879 1.00 0.00 C ATOM 1043 O LEU A 67 -0.435 -4.151 6.062 1.00 0.00 O ATOM 1044 CB LEU A 67 1.718 -2.477 4.011 1.00 0.00 C ATOM 1045 CG LEU A 67 3.118 -1.916 3.760 1.00 0.00 C ATOM 1046 CD1 LEU A 67 4.112 -3.049 3.511 1.00 0.00 C ATOM 1047 CD2 LEU A 67 3.073 -1.011 2.529 1.00 0.00 C ATOM 0 H LEU A 67 1.674 -5.024 4.627 1.00 0.00 H new ATOM 0 HA LEU A 67 2.221 -2.507 6.094 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.484 -3.230 3.258 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.980 -1.682 3.906 1.00 0.00 H new ATOM 0 HG LEU A 67 3.439 -1.353 4.636 1.00 0.00 H new ATOM 0 HD11 LEU A 67 5.103 -2.631 3.334 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.144 -3.703 4.382 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.799 -3.622 2.638 1.00 0.00 H new ATOM 0 HD21 LEU A 67 4.067 -0.605 2.340 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.747 -1.589 1.664 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.374 -0.193 2.704 1.00 0.00 H new ATOM 1059 N HIS A 68 -0.407 -1.900 6.056 1.00 0.00 N ATOM 1060 CA HIS A 68 -1.777 -1.764 6.509 1.00 0.00 C ATOM 1061 C HIS A 68 -2.501 -0.797 5.578 1.00 0.00 C ATOM 1062 O HIS A 68 -1.981 0.273 5.274 1.00 0.00 O ATOM 1063 CB HIS A 68 -1.770 -1.273 7.955 1.00 0.00 C ATOM 1064 CG HIS A 68 -3.109 -1.384 8.631 1.00 0.00 C ATOM 1065 ND1 HIS A 68 -3.353 -2.039 9.812 1.00 0.00 N ATOM 1066 CD2 HIS A 68 -4.290 -0.873 8.180 1.00 0.00 C ATOM 1067 CE1 HIS A 68 -4.669 -1.923 10.070 1.00 0.00 C ATOM 1068 NE2 HIS A 68 -5.287 -1.222 9.099 1.00 0.00 N ATOM 0 H HIS A 68 0.069 -1.013 5.889 1.00 0.00 H new ATOM 0 HA HIS A 68 -2.303 -2.718 6.483 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -1.037 -1.847 8.522 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -1.446 -0.232 7.976 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -4.431 -0.301 7.275 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -5.163 -2.336 10.937 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -6.279 -0.992 9.045 1.00 0.00 H new ATOM 1076 N LEU A 69 -3.674 -1.195 5.079 1.00 0.00 N ATOM 1077 CA LEU A 69 -4.395 -0.408 4.094 1.00 0.00 C ATOM 1078 C LEU A 69 -5.770 -0.024 4.631 1.00 0.00 C ATOM 1079 O LEU A 69 -6.373 -0.776 5.393 1.00 0.00 O ATOM 1080 CB LEU A 69 -4.523 -1.232 2.811 1.00 0.00 C ATOM 1081 CG LEU A 69 -5.091 -0.395 1.663 1.00 0.00 C ATOM 1082 CD1 LEU A 69 -4.017 0.544 1.122 1.00 0.00 C ATOM 1083 CD2 LEU A 69 -5.542 -1.324 0.540 1.00 0.00 C ATOM 0 H LEU A 69 -4.140 -2.062 5.347 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.852 0.513 3.881 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.545 -1.623 2.529 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.170 -2.091 2.992 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.934 0.190 2.031 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.429 1.136 0.305 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.680 1.208 1.918 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -3.173 -0.041 0.756 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.948 -0.732 -0.281 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.691 -1.904 0.183 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.310 -2.001 0.914 1.00 0.00 H new ATOM 1095 N ALA A 70 -6.277 1.132 4.192 1.00 0.00 N ATOM 1096 CA ALA A 70 -7.593 1.617 4.569 1.00 0.00 C ATOM 1097 C ALA A 70 -8.384 1.890 3.299 1.00 0.00 C ATOM 1098 O ALA A 70 -7.826 2.379 2.320 1.00 0.00 O ATOM 1099 CB ALA A 70 -7.451 2.901 5.384 1.00 0.00 C ATOM 0 H ALA A 70 -5.776 1.757 3.560 1.00 0.00 H new ATOM 0 HA ALA A 70 -8.111 0.875 5.176 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -8.439 3.264 5.666 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -6.868 2.699 6.283 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -6.944 3.658 4.785 1.00 0.00 H new ATOM 1105 N LEU A 71 -9.684 1.581 3.315 1.00 0.00 N ATOM 1106 CA LEU A 71 -10.536 1.784 2.156 1.00 0.00 C ATOM 1107 C LEU A 71 -11.657 2.755 2.510 1.00 0.00 C ATOM 1108 O LEU A 71 -11.782 3.175 3.658 1.00 0.00 O ATOM 1109 CB LEU A 71 -11.123 0.447 1.687 1.00 0.00 C ATOM 1110 CG LEU A 71 -10.092 -0.477 1.025 1.00 0.00 C ATOM 1111 CD1 LEU A 71 -9.276 0.282 -0.020 1.00 0.00 C ATOM 1112 CD2 LEU A 71 -9.154 -1.096 2.061 1.00 0.00 C ATOM 0 H LEU A 71 -10.164 1.188 4.125 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.941 2.204 1.345 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -11.563 -0.067 2.541 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -11.930 0.642 0.981 1.00 0.00 H new ATOM 0 HG LEU A 71 -10.642 -1.279 0.533 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.552 -0.393 -0.476 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.943 0.672 -0.789 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.751 1.109 0.459 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.436 -1.745 1.560 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -8.621 -0.305 2.588 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -9.735 -1.680 2.775 1.00 0.00 H new ATOM 1124 N ARG A 72 -12.466 3.117 1.510 1.00 0.00 N ATOM 1125 CA ARG A 72 -13.572 4.039 1.693 1.00 0.00 C ATOM 1126 C ARG A 72 -14.638 3.419 2.589 1.00 0.00 C ATOM 1127 O ARG A 72 -14.599 2.223 2.873 1.00 0.00 O ATOM 1128 CB ARG A 72 -14.166 4.385 0.327 1.00 0.00 C ATOM 1129 CG ARG A 72 -14.699 3.117 -0.340 1.00 0.00 C ATOM 1130 CD ARG A 72 -15.328 3.460 -1.688 1.00 0.00 C ATOM 1131 NE ARG A 72 -16.513 4.305 -1.524 1.00 0.00 N ATOM 1132 CZ ARG A 72 -17.089 4.963 -2.539 1.00 0.00 C ATOM 1133 NH1 ARG A 72 -16.578 4.871 -3.774 1.00 0.00 N ATOM 1134 NH2 ARG A 72 -18.172 5.720 -2.319 1.00 0.00 N ATOM 0 H ARG A 72 -12.366 2.775 0.554 1.00 0.00 H new ATOM 0 HA ARG A 72 -13.209 4.948 2.174 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -14.970 5.112 0.443 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -13.407 4.848 -0.304 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -13.889 2.402 -0.479 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -15.438 2.640 0.304 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -14.597 3.973 -2.313 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -15.603 2.542 -2.207 1.00 0.00 H new ATOM 0 HE ARG A 72 -16.919 4.397 -0.593 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -15.750 4.300 -3.942 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -17.017 5.372 -4.546 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -18.559 5.796 -1.378 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -18.610 6.221 -3.092 1.00 0.00 H new