USER MOD reduce.3.24.130724 H: found=0, std=0, add=748, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 748 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 52 SER OG : rot 83:sc= 0 USER MOD Set 1.2: A 58 THR OG1 : rot -130:sc= 0.0135 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0052 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 9 MET CE :methyl 153:sc= -4.25! (180deg=-4.83!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN :FLIP amide:sc= -1.54 F(o=-3.1,f=-1.5) USER MOD Single : A 17 LYS NZ :NH3+ -163:sc= 0.0024 (180deg=-0.154) USER MOD Single : A 19 GLN : amide:sc= -0.0237 X(o=-0.024,f=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -1.12 K(o=-1.1,f=-4.3!) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.0349 USER MOD Single : A 38 GLN : amide:sc= -1.05 X(o=-1,f=-1.1) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.422 K(o=-0.42,f=-5.1!) USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0.0798 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 176:sc= -0.0103 (180deg=-0.0452) USER MOD Single : A 62 ASN : amide:sc= 0.309 K(o=0.31,f=-0.35) USER MOD Single : A 63 TYR OH : rot 30:sc= -0.105 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot -140:sc= -0.209 USER MOD Single : A 79 GLN : amide:sc= -0.0217 X(o=-0.022,f=-0.23) USER MOD Single : A 80 MET CE :methyl 176:sc= -2.58 (180deg=-2.66) USER MOD Single : A 82 TYR OH : rot 10:sc= -0.662 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -2.33! C(o=-2.3!,f=-2.9!) USER MOD Single : A 93 SER OG : rot 51:sc= 1.25 USER MOD Single : A 94 SER OG : rot 63:sc= 0.872 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 30:sc= 0.128 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.371 2.280 -10.519 1.00 0.00 N ATOM 2 CA GLY A 1 14.106 3.561 -10.712 1.00 0.00 C ATOM 3 C GLY A 1 13.186 4.766 -10.698 1.00 0.00 C ATOM 4 O GLY A 1 12.966 5.400 -11.730 1.00 0.00 O ATOM 0 H1 GLY A 1 14.044 1.487 -10.536 1.00 0.00 H new ATOM 0 H2 GLY A 1 12.879 2.297 -9.603 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.676 2.160 -11.283 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.853 3.669 -9.926 1.00 0.00 H new ATOM 0 HA3 GLY A 1 14.643 3.529 -11.660 1.00 0.00 H new ATOM 10 N SER A 2 12.646 5.082 -9.525 1.00 0.00 N ATOM 11 CA SER A 2 11.743 6.218 -9.381 1.00 0.00 C ATOM 12 C SER A 2 12.119 7.060 -8.166 1.00 0.00 C ATOM 13 O SER A 2 13.073 6.748 -7.454 1.00 0.00 O ATOM 14 CB SER A 2 10.298 5.736 -9.255 1.00 0.00 C ATOM 15 OG SER A 2 10.133 4.459 -9.847 1.00 0.00 O ATOM 0 H SER A 2 12.818 4.568 -8.661 1.00 0.00 H new ATOM 0 HA SER A 2 11.834 6.838 -10.273 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.017 5.692 -8.203 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.630 6.451 -9.734 1.00 0.00 H new ATOM 0 HG SER A 2 9.201 4.172 -9.752 1.00 0.00 H new ATOM 21 N SER A 3 11.362 8.127 -7.935 1.00 0.00 N ATOM 22 CA SER A 3 11.615 9.015 -6.806 1.00 0.00 C ATOM 23 C SER A 3 10.907 8.514 -5.551 1.00 0.00 C ATOM 24 O SER A 3 9.939 7.757 -5.632 1.00 0.00 O ATOM 25 CB SER A 3 11.155 10.436 -7.133 1.00 0.00 C ATOM 26 OG SER A 3 11.485 11.333 -6.087 1.00 0.00 O ATOM 0 H SER A 3 10.568 8.398 -8.515 1.00 0.00 H new ATOM 0 HA SER A 3 12.688 9.024 -6.617 1.00 0.00 H new ATOM 0 HB2 SER A 3 11.621 10.768 -8.061 1.00 0.00 H new ATOM 0 HB3 SER A 3 10.077 10.444 -7.297 1.00 0.00 H new ATOM 0 HG SER A 3 11.182 12.235 -6.322 1.00 0.00 H new ATOM 32 N GLY A 4 11.396 8.942 -4.391 1.00 0.00 N ATOM 33 CA GLY A 4 10.798 8.527 -3.136 1.00 0.00 C ATOM 34 C GLY A 4 11.288 9.347 -1.959 1.00 0.00 C ATOM 35 O GLY A 4 12.483 9.373 -1.668 1.00 0.00 O ATOM 0 H GLY A 4 12.195 9.569 -4.298 1.00 0.00 H new ATOM 0 HA2 GLY A 4 9.714 8.613 -3.208 1.00 0.00 H new ATOM 0 HA3 GLY A 4 11.023 7.475 -2.960 1.00 0.00 H new ATOM 39 N SER A 5 10.363 10.019 -1.282 1.00 0.00 N ATOM 40 CA SER A 5 10.707 10.844 -0.129 1.00 0.00 C ATOM 41 C SER A 5 9.896 10.435 1.096 1.00 0.00 C ATOM 42 O SER A 5 10.440 9.908 2.066 1.00 0.00 O ATOM 43 CB SER A 5 10.469 12.322 -0.444 1.00 0.00 C ATOM 44 OG SER A 5 11.641 12.931 -0.956 1.00 0.00 O ATOM 0 H SER A 5 9.369 10.009 -1.512 1.00 0.00 H new ATOM 0 HA SER A 5 11.764 10.692 0.092 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.660 12.417 -1.169 1.00 0.00 H new ATOM 0 HB3 SER A 5 10.150 12.842 0.459 1.00 0.00 H new ATOM 0 HG SER A 5 11.461 13.874 -1.151 1.00 0.00 H new ATOM 50 N SER A 6 8.591 10.683 1.044 1.00 0.00 N ATOM 51 CA SER A 6 7.703 10.340 2.151 1.00 0.00 C ATOM 52 C SER A 6 6.605 9.387 1.692 1.00 0.00 C ATOM 53 O SER A 6 6.421 9.165 0.495 1.00 0.00 O ATOM 54 CB SER A 6 7.082 11.606 2.743 1.00 0.00 C ATOM 55 OG SER A 6 6.500 12.410 1.732 1.00 0.00 O ATOM 0 H SER A 6 8.125 11.120 0.249 1.00 0.00 H new ATOM 0 HA SER A 6 8.294 9.840 2.918 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.323 11.334 3.477 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.846 12.177 3.271 1.00 0.00 H new ATOM 0 HG SER A 6 6.109 13.212 2.137 1.00 0.00 H new ATOM 61 N GLY A 7 5.877 8.826 2.652 1.00 0.00 N ATOM 62 CA GLY A 7 4.804 7.903 2.328 1.00 0.00 C ATOM 63 C GLY A 7 3.433 8.486 2.606 1.00 0.00 C ATOM 64 O GLY A 7 3.241 9.194 3.594 1.00 0.00 O ATOM 0 H GLY A 7 6.011 8.994 3.649 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.871 7.628 1.276 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.930 6.987 2.906 1.00 0.00 H new ATOM 68 N ASP A 8 2.478 8.188 1.732 1.00 0.00 N ATOM 69 CA ASP A 8 1.116 8.687 1.886 1.00 0.00 C ATOM 70 C ASP A 8 0.163 7.557 2.267 1.00 0.00 C ATOM 71 O ASP A 8 -0.888 7.382 1.651 1.00 0.00 O ATOM 72 CB ASP A 8 0.647 9.355 0.592 1.00 0.00 C ATOM 73 CG ASP A 8 1.084 10.805 0.499 1.00 0.00 C ATOM 74 OD1 ASP A 8 1.224 11.451 1.558 1.00 0.00 O ATOM 75 OD2 ASP A 8 1.283 11.293 -0.632 1.00 0.00 O ATOM 0 H ASP A 8 2.622 7.603 0.909 1.00 0.00 H new ATOM 0 HA ASP A 8 1.113 9.425 2.688 1.00 0.00 H new ATOM 0 HB2 ASP A 8 1.041 8.804 -0.262 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -0.440 9.301 0.532 1.00 0.00 H new ATOM 80 N MET A 9 0.539 6.793 3.287 1.00 0.00 N ATOM 81 CA MET A 9 -0.280 5.679 3.752 1.00 0.00 C ATOM 82 C MET A 9 -1.085 6.072 4.987 1.00 0.00 C ATOM 83 O MET A 9 -2.172 5.544 5.225 1.00 0.00 O ATOM 84 CB MET A 9 0.599 4.468 4.065 1.00 0.00 C ATOM 85 CG MET A 9 0.758 3.512 2.892 1.00 0.00 C ATOM 86 SD MET A 9 -0.128 1.960 3.134 1.00 0.00 S ATOM 87 CE MET A 9 -0.336 1.422 1.438 1.00 0.00 C ATOM 0 H MET A 9 1.406 6.925 3.808 1.00 0.00 H new ATOM 0 HA MET A 9 -0.977 5.417 2.956 1.00 0.00 H new ATOM 0 HB2 MET A 9 1.584 4.815 4.376 1.00 0.00 H new ATOM 0 HB3 MET A 9 0.171 3.927 4.909 1.00 0.00 H new ATOM 0 HG2 MET A 9 0.396 3.994 1.984 1.00 0.00 H new ATOM 0 HG3 MET A 9 1.817 3.301 2.741 1.00 0.00 H new ATOM 0 HE1 MET A 9 -0.410 0.335 1.408 1.00 0.00 H new ATOM 0 HE2 MET A 9 -1.246 1.859 1.027 1.00 0.00 H new ATOM 0 HE3 MET A 9 0.521 1.744 0.846 1.00 0.00 H new ATOM 97 N LYS A 10 -0.546 7.001 5.771 1.00 0.00 N ATOM 98 CA LYS A 10 -1.215 7.462 6.983 1.00 0.00 C ATOM 99 C LYS A 10 -2.581 8.059 6.657 1.00 0.00 C ATOM 100 O LYS A 10 -3.532 7.911 7.424 1.00 0.00 O ATOM 101 CB LYS A 10 -0.351 8.498 7.703 1.00 0.00 C ATOM 102 CG LYS A 10 0.609 7.893 8.715 1.00 0.00 C ATOM 103 CD LYS A 10 1.255 8.964 9.579 1.00 0.00 C ATOM 104 CE LYS A 10 1.422 8.497 11.017 1.00 0.00 C ATOM 105 NZ LYS A 10 0.753 9.416 11.979 1.00 0.00 N ATOM 0 H LYS A 10 0.352 7.449 5.589 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.362 6.603 7.637 1.00 0.00 H new ATOM 0 HB2 LYS A 10 0.220 9.059 6.964 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -1.001 9.210 8.212 1.00 0.00 H new ATOM 0 HG2 LYS A 10 0.073 7.187 9.349 1.00 0.00 H new ATOM 0 HG3 LYS A 10 1.382 7.330 8.193 1.00 0.00 H new ATOM 0 HD2 LYS A 10 2.229 9.227 9.166 1.00 0.00 H new ATOM 0 HD3 LYS A 10 0.645 9.867 9.557 1.00 0.00 H new ATOM 0 HE2 LYS A 10 1.007 7.495 11.124 1.00 0.00 H new ATOM 0 HE3 LYS A 10 2.483 8.430 11.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 0.889 9.064 12.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 1.166 10.367 11.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -0.264 9.460 11.767 1.00 0.00 H new ATOM 119 N GLN A 11 -2.669 8.733 5.516 1.00 0.00 N ATOM 120 CA GLN A 11 -3.919 9.354 5.090 1.00 0.00 C ATOM 121 C GLN A 11 -5.017 8.310 4.925 1.00 0.00 C ATOM 122 O GLN A 11 -6.192 8.585 5.171 1.00 0.00 O ATOM 123 CB GLN A 11 -3.715 10.109 3.775 1.00 0.00 C ATOM 124 CG GLN A 11 -3.197 9.233 2.646 1.00 0.00 C ATOM 125 CD GLN A 11 -2.617 10.040 1.501 1.00 0.00 C ATOM 126 OE1 GLN A 11 -1.663 10.909 1.814 1.00 0.00 O flip ATOM 127 NE2 GLN A 11 -3.021 9.884 0.349 1.00 0.00 N flip ATOM 0 H GLN A 11 -1.891 8.864 4.869 1.00 0.00 H new ATOM 0 HA GLN A 11 -4.227 10.059 5.862 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -4.662 10.557 3.472 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -3.014 10.927 3.940 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -2.433 8.560 3.035 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -4.010 8.611 2.272 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -3.756 9.205 0.154 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -2.620 10.434 -0.411 1.00 0.00 H new ATOM 136 N LEU A 12 -4.628 7.109 4.508 1.00 0.00 N ATOM 137 CA LEU A 12 -5.581 6.023 4.311 1.00 0.00 C ATOM 138 C LEU A 12 -6.193 5.588 5.639 1.00 0.00 C ATOM 139 O LEU A 12 -5.493 5.454 6.643 1.00 0.00 O ATOM 140 CB LEU A 12 -4.897 4.833 3.636 1.00 0.00 C ATOM 141 CG LEU A 12 -4.925 4.852 2.107 1.00 0.00 C ATOM 142 CD1 LEU A 12 -3.752 4.064 1.542 1.00 0.00 C ATOM 143 CD2 LEU A 12 -6.243 4.292 1.593 1.00 0.00 C ATOM 0 H LEU A 12 -3.660 6.864 4.300 1.00 0.00 H new ATOM 0 HA LEU A 12 -6.381 6.387 3.666 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.858 4.796 3.965 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -5.374 3.916 3.982 1.00 0.00 H new ATOM 0 HG LEU A 12 -4.836 5.886 1.773 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.788 4.088 0.453 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.817 4.508 1.884 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.810 3.031 1.884 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -6.247 4.313 0.503 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -6.361 3.264 1.937 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -7.067 4.897 1.970 1.00 0.00 H new ATOM 155 N ALA A 13 -7.504 5.365 5.635 1.00 0.00 N ATOM 156 CA ALA A 13 -8.209 4.944 6.838 1.00 0.00 C ATOM 157 C ALA A 13 -7.751 3.561 7.288 1.00 0.00 C ATOM 158 O ALA A 13 -7.301 2.751 6.477 1.00 0.00 O ATOM 159 CB ALA A 13 -9.712 4.951 6.597 1.00 0.00 C ATOM 0 H ALA A 13 -8.098 5.469 4.812 1.00 0.00 H new ATOM 0 HA ALA A 13 -7.975 5.652 7.633 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -10.227 4.634 7.504 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -10.033 5.958 6.330 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -9.953 4.266 5.784 1.00 0.00 H new ATOM 165 N GLU A 14 -7.867 3.297 8.585 1.00 0.00 N ATOM 166 CA GLU A 14 -7.464 2.012 9.143 1.00 0.00 C ATOM 167 C GLU A 14 -8.282 0.875 8.538 1.00 0.00 C ATOM 168 O GLU A 14 -7.763 -0.212 8.289 1.00 0.00 O ATOM 169 CB GLU A 14 -7.625 2.020 10.665 1.00 0.00 C ATOM 170 CG GLU A 14 -6.494 1.319 11.400 1.00 0.00 C ATOM 171 CD GLU A 14 -5.240 2.168 11.483 1.00 0.00 C ATOM 172 OE1 GLU A 14 -4.846 2.749 10.449 1.00 0.00 O ATOM 173 OE2 GLU A 14 -4.650 2.250 12.581 1.00 0.00 O ATOM 0 H GLU A 14 -8.237 3.956 9.270 1.00 0.00 H new ATOM 0 HA GLU A 14 -6.415 1.850 8.897 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -7.687 3.052 11.010 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -8.569 1.540 10.925 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.823 1.064 12.407 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.262 0.382 10.893 1.00 0.00 H new ATOM 180 N ASP A 15 -9.564 1.135 8.304 1.00 0.00 N ATOM 181 CA ASP A 15 -10.454 0.134 7.728 1.00 0.00 C ATOM 182 C ASP A 15 -10.032 -0.214 6.303 1.00 0.00 C ATOM 183 O ASP A 15 -10.207 -1.346 5.852 1.00 0.00 O ATOM 184 CB ASP A 15 -11.900 0.639 7.739 1.00 0.00 C ATOM 185 CG ASP A 15 -12.763 -0.101 8.742 1.00 0.00 C ATOM 186 OD1 ASP A 15 -12.209 -0.612 9.738 1.00 0.00 O ATOM 187 OD2 ASP A 15 -13.992 -0.169 8.531 1.00 0.00 O ATOM 0 H ASP A 15 -10.010 2.030 8.504 1.00 0.00 H new ATOM 0 HA ASP A 15 -10.389 -0.768 8.336 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -11.908 1.704 7.972 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -12.329 0.528 6.743 1.00 0.00 H new ATOM 192 N VAL A 16 -9.475 0.767 5.600 1.00 0.00 N ATOM 193 CA VAL A 16 -9.028 0.565 4.228 1.00 0.00 C ATOM 194 C VAL A 16 -7.937 -0.499 4.158 1.00 0.00 C ATOM 195 O VAL A 16 -7.985 -1.398 3.318 1.00 0.00 O ATOM 196 CB VAL A 16 -8.496 1.873 3.611 1.00 0.00 C ATOM 197 CG1 VAL A 16 -8.169 1.677 2.138 1.00 0.00 C ATOM 198 CG2 VAL A 16 -9.501 3.000 3.796 1.00 0.00 C ATOM 0 H VAL A 16 -9.323 1.710 5.959 1.00 0.00 H new ATOM 0 HA VAL A 16 -9.895 0.231 3.658 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.577 2.148 4.129 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -7.795 2.612 1.721 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -7.408 0.903 2.034 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -9.069 1.375 1.602 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -9.107 3.915 3.354 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -10.439 2.735 3.307 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -9.678 3.158 4.860 1.00 0.00 H new ATOM 208 N LYS A 17 -6.954 -0.392 5.046 1.00 0.00 N ATOM 209 CA LYS A 17 -5.851 -1.344 5.086 1.00 0.00 C ATOM 210 C LYS A 17 -6.298 -2.672 5.690 1.00 0.00 C ATOM 211 O LYS A 17 -5.762 -3.729 5.356 1.00 0.00 O ATOM 212 CB LYS A 17 -4.684 -0.772 5.891 1.00 0.00 C ATOM 213 CG LYS A 17 -4.048 0.453 5.253 1.00 0.00 C ATOM 214 CD LYS A 17 -4.605 1.739 5.839 1.00 0.00 C ATOM 215 CE LYS A 17 -3.634 2.896 5.671 1.00 0.00 C ATOM 216 NZ LYS A 17 -2.456 2.767 6.573 1.00 0.00 N ATOM 0 H LYS A 17 -6.899 0.346 5.748 1.00 0.00 H new ATOM 0 HA LYS A 17 -5.523 -1.524 4.062 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.035 -0.511 6.889 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.924 -1.544 6.013 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -2.969 0.422 5.401 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.223 0.436 4.177 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.550 1.982 5.352 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.820 1.594 6.898 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.296 2.939 4.636 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -4.148 3.835 5.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -1.973 3.685 6.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -2.773 2.465 7.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -1.798 2.060 6.186 1.00 0.00 H new ATOM 230 N LEU A 18 -7.282 -2.611 6.581 1.00 0.00 N ATOM 231 CA LEU A 18 -7.800 -3.809 7.232 1.00 0.00 C ATOM 232 C LEU A 18 -8.363 -4.788 6.206 1.00 0.00 C ATOM 233 O LEU A 18 -8.193 -5.999 6.331 1.00 0.00 O ATOM 234 CB LEU A 18 -8.884 -3.436 8.246 1.00 0.00 C ATOM 235 CG LEU A 18 -8.378 -3.161 9.664 1.00 0.00 C ATOM 236 CD1 LEU A 18 -9.433 -2.423 10.473 1.00 0.00 C ATOM 237 CD2 LEU A 18 -7.989 -4.461 10.350 1.00 0.00 C ATOM 0 H LEU A 18 -7.737 -1.745 6.869 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.974 -4.293 7.754 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -9.408 -2.551 7.886 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -9.615 -4.244 8.288 1.00 0.00 H new ATOM 0 HG LEU A 18 -7.493 -2.528 9.599 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -9.056 -2.236 11.478 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -9.664 -1.474 9.990 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -10.337 -3.030 10.532 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -7.631 -4.248 11.357 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.857 -5.118 10.405 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.199 -4.951 9.781 1.00 0.00 H new ATOM 249 N GLN A 19 -9.035 -4.252 5.192 1.00 0.00 N ATOM 250 CA GLN A 19 -9.624 -5.077 4.144 1.00 0.00 C ATOM 251 C GLN A 19 -8.542 -5.714 3.277 1.00 0.00 C ATOM 252 O GLN A 19 -8.716 -6.820 2.764 1.00 0.00 O ATOM 253 CB GLN A 19 -10.564 -4.240 3.274 1.00 0.00 C ATOM 254 CG GLN A 19 -11.743 -3.661 4.037 1.00 0.00 C ATOM 255 CD GLN A 19 -12.546 -2.677 3.209 1.00 0.00 C ATOM 256 OE1 GLN A 19 -13.130 -3.038 2.187 1.00 0.00 O ATOM 257 NE2 GLN A 19 -12.579 -1.423 3.646 1.00 0.00 N ATOM 0 H GLN A 19 -9.185 -3.250 5.074 1.00 0.00 H new ATOM 0 HA GLN A 19 -10.195 -5.873 4.622 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -9.998 -3.425 2.822 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -10.938 -4.859 2.458 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -12.394 -4.472 4.363 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -11.380 -3.163 4.936 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -12.081 -1.167 4.498 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -13.103 -0.717 3.129 1.00 0.00 H new ATOM 266 N LEU A 20 -7.427 -5.009 3.116 1.00 0.00 N ATOM 267 CA LEU A 20 -6.318 -5.506 2.310 1.00 0.00 C ATOM 268 C LEU A 20 -5.791 -6.827 2.862 1.00 0.00 C ATOM 269 O LEU A 20 -5.440 -7.732 2.105 1.00 0.00 O ATOM 270 CB LEU A 20 -5.190 -4.474 2.263 1.00 0.00 C ATOM 271 CG LEU A 20 -5.312 -3.431 1.150 1.00 0.00 C ATOM 272 CD1 LEU A 20 -4.484 -2.199 1.480 1.00 0.00 C ATOM 273 CD2 LEU A 20 -4.880 -4.025 -0.183 1.00 0.00 C ATOM 0 H LEU A 20 -7.268 -4.092 3.533 1.00 0.00 H new ATOM 0 HA LEU A 20 -6.687 -5.677 1.299 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.151 -3.957 3.222 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.242 -4.999 2.145 1.00 0.00 H new ATOM 0 HG LEU A 20 -6.357 -3.130 1.071 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.583 -1.468 0.677 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.838 -1.762 2.414 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.437 -2.482 1.586 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.973 -3.271 -0.964 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.843 -4.353 -0.116 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.515 -4.877 -0.424 1.00 0.00 H new ATOM 285 N TYR A 21 -5.740 -6.931 4.187 1.00 0.00 N ATOM 286 CA TYR A 21 -5.256 -8.140 4.840 1.00 0.00 C ATOM 287 C TYR A 21 -6.125 -9.341 4.479 1.00 0.00 C ATOM 288 O TYR A 21 -5.616 -10.421 4.181 1.00 0.00 O ATOM 289 CB TYR A 21 -5.234 -7.953 6.358 1.00 0.00 C ATOM 290 CG TYR A 21 -4.539 -6.685 6.803 1.00 0.00 C ATOM 291 CD1 TYR A 21 -3.348 -6.279 6.213 1.00 0.00 C ATOM 292 CD2 TYR A 21 -5.074 -5.895 7.812 1.00 0.00 C ATOM 293 CE1 TYR A 21 -2.710 -5.122 6.618 1.00 0.00 C ATOM 294 CE2 TYR A 21 -4.442 -4.736 8.222 1.00 0.00 C ATOM 295 CZ TYR A 21 -3.261 -4.354 7.622 1.00 0.00 C ATOM 296 OH TYR A 21 -2.629 -3.202 8.027 1.00 0.00 O ATOM 0 H TYR A 21 -6.028 -6.192 4.828 1.00 0.00 H new ATOM 0 HA TYR A 21 -4.242 -8.329 4.488 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -6.259 -7.945 6.729 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -4.736 -8.809 6.814 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -2.914 -6.877 5.425 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -5.999 -6.191 8.284 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.784 -4.821 6.150 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -4.871 -4.133 9.008 1.00 0.00 H new ATOM 0 HH TYR A 21 -3.148 -2.778 8.742 1.00 0.00 H new ATOM 306 N LYS A 22 -7.439 -9.143 4.507 1.00 0.00 N ATOM 307 CA LYS A 22 -8.380 -10.209 4.184 1.00 0.00 C ATOM 308 C LYS A 22 -8.219 -10.660 2.735 1.00 0.00 C ATOM 309 O LYS A 22 -8.441 -11.826 2.409 1.00 0.00 O ATOM 310 CB LYS A 22 -9.816 -9.742 4.428 1.00 0.00 C ATOM 311 CG LYS A 22 -10.704 -10.805 5.053 1.00 0.00 C ATOM 312 CD LYS A 22 -12.027 -10.221 5.523 1.00 0.00 C ATOM 313 CE LYS A 22 -13.110 -10.382 4.469 1.00 0.00 C ATOM 314 NZ LYS A 22 -14.472 -10.177 5.036 1.00 0.00 N ATOM 0 H LYS A 22 -7.876 -8.254 4.750 1.00 0.00 H new ATOM 0 HA LYS A 22 -8.165 -11.057 4.834 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -9.799 -8.867 5.078 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -10.253 -9.427 3.480 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -10.892 -11.596 4.327 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -10.187 -11.262 5.897 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -12.337 -10.714 6.444 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -11.898 -9.164 5.755 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -12.941 -9.668 3.663 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -13.045 -11.378 4.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -15.182 -10.295 4.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -14.644 -10.875 5.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -14.543 -9.218 5.431 1.00 0.00 H new ATOM 328 N LEU A 23 -7.831 -9.729 1.869 1.00 0.00 N ATOM 329 CA LEU A 23 -7.641 -10.031 0.456 1.00 0.00 C ATOM 330 C LEU A 23 -6.375 -10.856 0.240 1.00 0.00 C ATOM 331 O LEU A 23 -6.400 -11.886 -0.432 1.00 0.00 O ATOM 332 CB LEU A 23 -7.566 -8.739 -0.358 1.00 0.00 C ATOM 333 CG LEU A 23 -8.887 -7.979 -0.491 1.00 0.00 C ATOM 334 CD1 LEU A 23 -8.630 -6.511 -0.792 1.00 0.00 C ATOM 335 CD2 LEU A 23 -9.753 -8.605 -1.574 1.00 0.00 C ATOM 0 H LEU A 23 -7.642 -8.759 2.122 1.00 0.00 H new ATOM 0 HA LEU A 23 -8.496 -10.616 0.118 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.830 -8.080 0.102 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.200 -8.978 -1.357 1.00 0.00 H new ATOM 0 HG LEU A 23 -9.421 -8.045 0.457 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -9.581 -5.986 -0.883 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -8.048 -6.070 0.018 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -8.076 -6.423 -1.727 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -10.689 -8.053 -1.656 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -9.226 -8.569 -2.527 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -9.965 -9.642 -1.316 1.00 0.00 H new ATOM 347 N LEU A 24 -5.271 -10.394 0.817 1.00 0.00 N ATOM 348 CA LEU A 24 -3.994 -11.088 0.689 1.00 0.00 C ATOM 349 C LEU A 24 -4.026 -12.431 1.410 1.00 0.00 C ATOM 350 O LEU A 24 -3.305 -13.360 1.045 1.00 0.00 O ATOM 351 CB LEU A 24 -2.862 -10.223 1.247 1.00 0.00 C ATOM 352 CG LEU A 24 -2.820 -8.790 0.715 1.00 0.00 C ATOM 353 CD1 LEU A 24 -1.987 -7.904 1.629 1.00 0.00 C ATOM 354 CD2 LEU A 24 -2.266 -8.766 -0.702 1.00 0.00 C ATOM 0 H LEU A 24 -5.234 -9.543 1.378 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.815 -11.271 -0.370 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.953 -10.189 2.333 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.911 -10.706 1.022 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.838 -8.400 0.695 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.969 -6.888 1.234 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.425 -7.897 2.627 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.969 -8.291 1.682 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.243 -7.739 -1.066 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.256 -9.175 -0.705 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.902 -9.367 -1.352 1.00 0.00 H new ATOM 366 N GLU A 25 -4.865 -12.529 2.438 1.00 0.00 N ATOM 367 CA GLU A 25 -4.989 -13.760 3.211 1.00 0.00 C ATOM 368 C GLU A 25 -5.335 -14.945 2.312 1.00 0.00 C ATOM 369 O GLU A 25 -5.032 -16.092 2.640 1.00 0.00 O ATOM 370 CB GLU A 25 -6.057 -13.598 4.296 1.00 0.00 C ATOM 371 CG GLU A 25 -5.641 -14.154 5.647 1.00 0.00 C ATOM 372 CD GLU A 25 -6.443 -13.565 6.791 1.00 0.00 C ATOM 373 OE1 GLU A 25 -7.593 -13.141 6.554 1.00 0.00 O ATOM 374 OE2 GLU A 25 -5.921 -13.528 7.925 1.00 0.00 O ATOM 0 H GLU A 25 -5.469 -11.770 2.754 1.00 0.00 H new ATOM 0 HA GLU A 25 -4.026 -13.959 3.681 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.294 -12.540 4.405 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -6.970 -14.097 3.973 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -5.762 -15.237 5.643 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -4.582 -13.952 5.809 1.00 0.00 H new ATOM 381 N ILE A 26 -5.972 -14.661 1.181 1.00 0.00 N ATOM 382 CA ILE A 26 -6.357 -15.705 0.239 1.00 0.00 C ATOM 383 C ILE A 26 -5.127 -16.422 -0.318 1.00 0.00 C ATOM 384 O ILE A 26 -4.239 -15.790 -0.890 1.00 0.00 O ATOM 385 CB ILE A 26 -7.179 -15.133 -0.934 1.00 0.00 C ATOM 386 CG1 ILE A 26 -8.348 -14.297 -0.407 1.00 0.00 C ATOM 387 CG2 ILE A 26 -7.684 -16.256 -1.829 1.00 0.00 C ATOM 388 CD1 ILE A 26 -9.211 -13.706 -1.501 1.00 0.00 C ATOM 0 H ILE A 26 -6.232 -13.717 0.895 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.973 -16.416 0.790 1.00 0.00 H new ATOM 0 HB ILE A 26 -6.533 -14.487 -1.528 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -8.968 -14.920 0.237 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -7.957 -13.490 0.212 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -8.262 -15.834 -2.651 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.836 -16.812 -2.229 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -8.316 -16.928 -1.248 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -10.019 -13.127 -1.054 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -8.604 -13.056 -2.132 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -9.632 -14.509 -2.106 1.00 0.00 H new ATOM 400 N PRO A 27 -5.054 -17.757 -0.158 1.00 0.00 N ATOM 401 CA PRO A 27 -3.922 -18.547 -0.651 1.00 0.00 C ATOM 402 C PRO A 27 -3.958 -18.732 -2.165 1.00 0.00 C ATOM 403 O PRO A 27 -4.033 -19.855 -2.663 1.00 0.00 O ATOM 404 CB PRO A 27 -4.101 -19.890 0.057 1.00 0.00 C ATOM 405 CG PRO A 27 -5.569 -20.002 0.280 1.00 0.00 C ATOM 406 CD PRO A 27 -6.065 -18.600 0.512 1.00 0.00 C ATOM 0 HA PRO A 27 -2.966 -18.064 -0.449 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -3.728 -20.713 -0.553 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -3.553 -19.918 0.999 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -6.061 -20.451 -0.583 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -5.785 -20.639 1.138 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -7.057 -18.450 0.086 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -6.137 -18.371 1.575 1.00 0.00 H new ATOM 414 N ASP A 28 -3.905 -17.621 -2.892 1.00 0.00 N ATOM 415 CA ASP A 28 -3.933 -17.659 -4.350 1.00 0.00 C ATOM 416 C ASP A 28 -2.579 -17.258 -4.931 1.00 0.00 C ATOM 417 O ASP A 28 -1.832 -16.495 -4.317 1.00 0.00 O ATOM 418 CB ASP A 28 -5.028 -16.733 -4.884 1.00 0.00 C ATOM 419 CG ASP A 28 -6.316 -17.475 -5.183 1.00 0.00 C ATOM 420 OD1 ASP A 28 -6.682 -18.372 -4.395 1.00 0.00 O ATOM 421 OD2 ASP A 28 -6.959 -17.159 -6.207 1.00 0.00 O ATOM 0 H ASP A 28 -3.842 -16.683 -2.496 1.00 0.00 H new ATOM 0 HA ASP A 28 -4.151 -18.681 -4.659 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -5.225 -15.948 -4.154 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -4.675 -16.243 -5.791 1.00 0.00 H new ATOM 426 N PRO A 29 -2.243 -17.768 -6.128 1.00 0.00 N ATOM 427 CA PRO A 29 -0.972 -17.459 -6.790 1.00 0.00 C ATOM 428 C PRO A 29 -0.903 -16.012 -7.264 1.00 0.00 C ATOM 429 O PRO A 29 0.178 -15.432 -7.365 1.00 0.00 O ATOM 430 CB PRO A 29 -0.950 -18.415 -7.986 1.00 0.00 C ATOM 431 CG PRO A 29 -2.385 -18.707 -8.263 1.00 0.00 C ATOM 432 CD PRO A 29 -3.076 -18.686 -6.928 1.00 0.00 C ATOM 0 HA PRO A 29 -0.123 -17.579 -6.117 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -0.465 -17.959 -8.849 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -0.398 -19.326 -7.755 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -2.812 -17.963 -8.935 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -2.500 -19.677 -8.747 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -4.102 -18.328 -7.012 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -3.121 -19.680 -6.483 1.00 0.00 H new ATOM 440 N ASP A 30 -2.064 -15.432 -7.555 1.00 0.00 N ATOM 441 CA ASP A 30 -2.134 -14.051 -8.020 1.00 0.00 C ATOM 442 C ASP A 30 -2.976 -13.200 -7.075 1.00 0.00 C ATOM 443 O ASP A 30 -3.611 -12.233 -7.497 1.00 0.00 O ATOM 444 CB ASP A 30 -2.718 -13.997 -9.432 1.00 0.00 C ATOM 445 CG ASP A 30 -3.965 -14.847 -9.577 1.00 0.00 C ATOM 446 OD1 ASP A 30 -4.584 -15.174 -8.543 1.00 0.00 O ATOM 447 OD2 ASP A 30 -4.322 -15.186 -10.725 1.00 0.00 O ATOM 0 H ASP A 30 -2.968 -15.897 -7.477 1.00 0.00 H new ATOM 0 HA ASP A 30 -1.122 -13.647 -8.037 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -2.955 -12.963 -9.684 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -1.967 -14.335 -10.146 1.00 0.00 H new ATOM 452 N LYS A 31 -2.977 -13.564 -5.797 1.00 0.00 N ATOM 453 CA LYS A 31 -3.743 -12.831 -4.795 1.00 0.00 C ATOM 454 C LYS A 31 -3.254 -13.160 -3.387 1.00 0.00 C ATOM 455 O LYS A 31 -4.053 -13.336 -2.467 1.00 0.00 O ATOM 456 CB LYS A 31 -5.232 -13.159 -4.922 1.00 0.00 C ATOM 457 CG LYS A 31 -5.926 -12.410 -6.046 1.00 0.00 C ATOM 458 CD LYS A 31 -7.397 -12.179 -5.738 1.00 0.00 C ATOM 459 CE LYS A 31 -8.235 -12.149 -7.006 1.00 0.00 C ATOM 460 NZ LYS A 31 -9.504 -12.913 -6.851 1.00 0.00 N ATOM 0 H LYS A 31 -2.457 -14.361 -5.431 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.597 -11.765 -4.969 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -5.347 -14.231 -5.086 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -5.729 -12.925 -3.980 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -5.432 -11.452 -6.205 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.832 -12.975 -6.973 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -7.760 -12.968 -5.080 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -7.514 -11.237 -5.201 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -8.463 -11.115 -7.266 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -7.659 -12.566 -7.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -10.047 -12.868 -7.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -9.287 -13.905 -6.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -10.066 -12.500 -6.080 1.00 0.00 H new ATOM 474 N ASN A 32 -1.937 -13.240 -3.227 1.00 0.00 N ATOM 475 CA ASN A 32 -1.343 -13.547 -1.930 1.00 0.00 C ATOM 476 C ASN A 32 -0.501 -12.378 -1.428 1.00 0.00 C ATOM 477 O ASN A 32 -0.093 -11.514 -2.203 1.00 0.00 O ATOM 478 CB ASN A 32 -0.482 -14.807 -2.025 1.00 0.00 C ATOM 479 CG ASN A 32 0.098 -15.215 -0.685 1.00 0.00 C ATOM 480 OD1 ASN A 32 1.312 -15.351 -0.536 1.00 0.00 O ATOM 481 ND2 ASN A 32 -0.771 -15.414 0.299 1.00 0.00 N ATOM 0 H ASN A 32 -1.261 -13.097 -3.978 1.00 0.00 H new ATOM 0 HA ASN A 32 -2.151 -13.721 -1.220 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -1.083 -15.625 -2.422 1.00 0.00 H new ATOM 0 HB3 ASN A 32 0.330 -14.636 -2.732 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -0.440 -15.691 1.223 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -1.769 -15.290 0.131 1.00 0.00 H new ATOM 488 N TRP A 33 -0.244 -12.359 -0.124 1.00 0.00 N ATOM 489 CA TRP A 33 0.550 -11.297 0.483 1.00 0.00 C ATOM 490 C TRP A 33 2.000 -11.366 0.014 1.00 0.00 C ATOM 491 O TRP A 33 2.639 -10.339 -0.211 1.00 0.00 O ATOM 492 CB TRP A 33 0.490 -11.394 2.008 1.00 0.00 C ATOM 493 CG TRP A 33 0.954 -12.717 2.538 1.00 0.00 C ATOM 494 CD1 TRP A 33 0.186 -13.822 2.769 1.00 0.00 C ATOM 495 CD2 TRP A 33 2.292 -13.074 2.903 1.00 0.00 C ATOM 496 NE1 TRP A 33 0.965 -14.844 3.257 1.00 0.00 N ATOM 497 CE2 TRP A 33 2.262 -14.409 3.347 1.00 0.00 C ATOM 498 CE3 TRP A 33 3.513 -12.393 2.897 1.00 0.00 C ATOM 499 CZ2 TRP A 33 3.405 -15.076 3.781 1.00 0.00 C ATOM 500 CZ3 TRP A 33 4.647 -13.057 3.328 1.00 0.00 C ATOM 501 CH2 TRP A 33 4.586 -14.386 3.764 1.00 0.00 C ATOM 0 H TRP A 33 -0.574 -13.067 0.532 1.00 0.00 H new ATOM 0 HA TRP A 33 0.131 -10.341 0.170 1.00 0.00 H new ATOM 0 HB2 TRP A 33 1.103 -10.603 2.440 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -0.535 -11.218 2.336 1.00 0.00 H new ATOM 0 HD1 TRP A 33 -0.878 -13.884 2.594 1.00 0.00 H new ATOM 0 HE1 TRP A 33 0.632 -15.774 3.511 1.00 0.00 H new ATOM 0 HE3 TRP A 33 3.570 -11.368 2.562 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 3.361 -16.101 4.119 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 5.596 -12.541 3.328 1.00 0.00 H new ATOM 0 HH2 TRP A 33 5.490 -14.877 4.094 1.00 0.00 H new ATOM 512 N ALA A 34 2.512 -12.584 -0.130 1.00 0.00 N ATOM 513 CA ALA A 34 3.886 -12.787 -0.572 1.00 0.00 C ATOM 514 C ALA A 34 4.115 -12.177 -1.950 1.00 0.00 C ATOM 515 O ALA A 34 5.134 -11.530 -2.194 1.00 0.00 O ATOM 516 CB ALA A 34 4.221 -14.270 -0.587 1.00 0.00 C ATOM 0 H ALA A 34 1.996 -13.445 0.053 1.00 0.00 H new ATOM 0 HA ALA A 34 4.547 -12.283 0.133 1.00 0.00 H new ATOM 0 HB1 ALA A 34 5.250 -14.407 -0.919 1.00 0.00 H new ATOM 0 HB2 ALA A 34 4.106 -14.679 0.417 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.547 -14.788 -1.269 1.00 0.00 H new ATOM 522 N THR A 35 3.160 -12.387 -2.851 1.00 0.00 N ATOM 523 CA THR A 35 3.257 -11.858 -4.206 1.00 0.00 C ATOM 524 C THR A 35 3.287 -10.333 -4.194 1.00 0.00 C ATOM 525 O THR A 35 4.037 -9.711 -4.946 1.00 0.00 O ATOM 526 CB THR A 35 2.081 -12.349 -5.052 1.00 0.00 C ATOM 527 OG1 THR A 35 1.647 -13.624 -4.616 1.00 0.00 O ATOM 528 CG2 THR A 35 2.409 -12.454 -6.526 1.00 0.00 C ATOM 0 H THR A 35 2.310 -12.920 -2.666 1.00 0.00 H new ATOM 0 HA THR A 35 4.188 -12.218 -4.644 1.00 0.00 H new ATOM 0 HB THR A 35 1.299 -11.601 -4.922 1.00 0.00 H new ATOM 0 HG1 THR A 35 0.893 -13.920 -5.168 1.00 0.00 H new ATOM 0 HG21 THR A 35 1.533 -12.808 -7.069 1.00 0.00 H new ATOM 0 HG22 THR A 35 2.700 -11.474 -6.905 1.00 0.00 H new ATOM 0 HG23 THR A 35 3.231 -13.156 -6.667 1.00 0.00 H new ATOM 536 N LEU A 36 2.467 -9.736 -3.335 1.00 0.00 N ATOM 537 CA LEU A 36 2.401 -8.283 -3.225 1.00 0.00 C ATOM 538 C LEU A 36 3.688 -7.724 -2.627 1.00 0.00 C ATOM 539 O LEU A 36 4.111 -6.618 -2.964 1.00 0.00 O ATOM 540 CB LEU A 36 1.204 -7.870 -2.367 1.00 0.00 C ATOM 541 CG LEU A 36 0.863 -6.380 -2.406 1.00 0.00 C ATOM 542 CD1 LEU A 36 0.437 -5.966 -3.805 1.00 0.00 C ATOM 543 CD2 LEU A 36 -0.229 -6.058 -1.396 1.00 0.00 C ATOM 0 H LEU A 36 1.839 -10.236 -2.705 1.00 0.00 H new ATOM 0 HA LEU A 36 2.279 -7.872 -4.227 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.331 -8.436 -2.692 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.402 -8.155 -1.334 1.00 0.00 H new ATOM 0 HG LEU A 36 1.756 -5.815 -2.139 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.198 -4.902 -3.813 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.249 -6.161 -4.505 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.443 -6.537 -4.102 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.460 -4.993 -1.437 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.124 -6.633 -1.633 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.114 -6.317 -0.394 1.00 0.00 H new ATOM 555 N ALA A 37 4.305 -8.495 -1.738 1.00 0.00 N ATOM 556 CA ALA A 37 5.544 -8.076 -1.093 1.00 0.00 C ATOM 557 C ALA A 37 6.657 -7.880 -2.117 1.00 0.00 C ATOM 558 O ALA A 37 7.515 -7.013 -1.958 1.00 0.00 O ATOM 559 CB ALA A 37 5.963 -9.096 -0.044 1.00 0.00 C ATOM 0 H ALA A 37 3.968 -9.413 -1.448 1.00 0.00 H new ATOM 0 HA ALA A 37 5.364 -7.119 -0.603 1.00 0.00 H new ATOM 0 HB1 ALA A 37 6.889 -8.771 0.430 1.00 0.00 H new ATOM 0 HB2 ALA A 37 5.181 -9.184 0.710 1.00 0.00 H new ATOM 0 HB3 ALA A 37 6.119 -10.064 -0.520 1.00 0.00 H new ATOM 565 N GLN A 38 6.635 -8.692 -3.169 1.00 0.00 N ATOM 566 CA GLN A 38 7.643 -8.608 -4.220 1.00 0.00 C ATOM 567 C GLN A 38 7.359 -7.436 -5.153 1.00 0.00 C ATOM 568 O GLN A 38 8.281 -6.801 -5.667 1.00 0.00 O ATOM 569 CB GLN A 38 7.686 -9.912 -5.020 1.00 0.00 C ATOM 570 CG GLN A 38 7.860 -11.149 -4.156 1.00 0.00 C ATOM 571 CD GLN A 38 7.113 -12.351 -4.701 1.00 0.00 C ATOM 572 OE1 GLN A 38 6.291 -12.952 -4.009 1.00 0.00 O ATOM 573 NE2 GLN A 38 7.397 -12.708 -5.948 1.00 0.00 N ATOM 0 H GLN A 38 5.931 -9.415 -3.316 1.00 0.00 H new ATOM 0 HA GLN A 38 8.612 -8.447 -3.747 1.00 0.00 H new ATOM 0 HB2 GLN A 38 6.765 -10.007 -5.594 1.00 0.00 H new ATOM 0 HB3 GLN A 38 8.505 -9.862 -5.737 1.00 0.00 H new ATOM 0 HG2 GLN A 38 8.921 -11.389 -4.081 1.00 0.00 H new ATOM 0 HG3 GLN A 38 7.509 -10.935 -3.147 1.00 0.00 H new ATOM 0 HE21 GLN A 38 8.085 -12.181 -6.485 1.00 0.00 H new ATOM 0 HE22 GLN A 38 6.927 -13.509 -6.369 1.00 0.00 H new ATOM 582 N LYS A 39 6.078 -7.151 -5.365 1.00 0.00 N ATOM 583 CA LYS A 39 5.673 -6.053 -6.236 1.00 0.00 C ATOM 584 C LYS A 39 6.024 -4.707 -5.612 1.00 0.00 C ATOM 585 O LYS A 39 6.675 -3.872 -6.238 1.00 0.00 O ATOM 586 CB LYS A 39 4.171 -6.125 -6.516 1.00 0.00 C ATOM 587 CG LYS A 39 3.823 -6.901 -7.776 1.00 0.00 C ATOM 588 CD LYS A 39 4.129 -8.383 -7.619 1.00 0.00 C ATOM 589 CE LYS A 39 4.339 -9.054 -8.966 1.00 0.00 C ATOM 590 NZ LYS A 39 5.425 -10.072 -8.916 1.00 0.00 N ATOM 0 H LYS A 39 5.303 -7.665 -4.946 1.00 0.00 H new ATOM 0 HA LYS A 39 6.215 -6.148 -7.177 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.673 -6.589 -5.665 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.777 -5.112 -6.603 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.766 -6.769 -8.006 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.385 -6.499 -8.619 1.00 0.00 H new ATOM 0 HD2 LYS A 39 5.021 -8.508 -7.006 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.309 -8.871 -7.092 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.411 -9.529 -9.284 1.00 0.00 H new ATOM 0 HE3 LYS A 39 4.583 -8.299 -9.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 5.537 -10.507 -9.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 6.317 -9.615 -8.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 5.181 -10.806 -8.221 1.00 0.00 H new ATOM 604 N LEU A 40 5.587 -4.503 -4.373 1.00 0.00 N ATOM 605 CA LEU A 40 5.854 -3.257 -3.663 1.00 0.00 C ATOM 606 C LEU A 40 7.355 -3.031 -3.510 1.00 0.00 C ATOM 607 O LEU A 40 7.919 -2.117 -4.113 1.00 0.00 O ATOM 608 CB LEU A 40 5.187 -3.277 -2.287 1.00 0.00 C ATOM 609 CG LEU A 40 3.673 -3.491 -2.304 1.00 0.00 C ATOM 610 CD1 LEU A 40 3.188 -3.987 -0.950 1.00 0.00 C ATOM 611 CD2 LEU A 40 2.957 -2.205 -2.691 1.00 0.00 C ATOM 0 H LEU A 40 5.047 -5.184 -3.840 1.00 0.00 H new ATOM 0 HA LEU A 40 5.438 -2.437 -4.248 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.643 -4.067 -1.690 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.400 -2.334 -1.783 1.00 0.00 H new ATOM 0 HG LEU A 40 3.441 -4.251 -3.050 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.108 -4.133 -0.982 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.676 -4.933 -0.713 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.432 -3.251 -0.184 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.880 -2.376 -2.698 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.196 -1.424 -1.969 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.281 -1.893 -3.684 1.00 0.00 H new ATOM 623 N GLY A 41 7.996 -3.867 -2.700 1.00 0.00 N ATOM 624 CA GLY A 41 9.424 -3.740 -2.482 1.00 0.00 C ATOM 625 C GLY A 41 9.861 -4.321 -1.152 1.00 0.00 C ATOM 626 O GLY A 41 10.614 -3.690 -0.409 1.00 0.00 O ATOM 0 H GLY A 41 7.551 -4.631 -2.191 1.00 0.00 H new ATOM 0 HA2 GLY A 41 9.958 -4.244 -3.288 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.703 -2.687 -2.524 1.00 0.00 H new ATOM 630 N LEU A 42 9.387 -5.524 -0.849 1.00 0.00 N ATOM 631 CA LEU A 42 9.734 -6.189 0.401 1.00 0.00 C ATOM 632 C LEU A 42 9.891 -7.692 0.193 1.00 0.00 C ATOM 633 O LEU A 42 9.619 -8.486 1.094 1.00 0.00 O ATOM 634 CB LEU A 42 8.665 -5.919 1.461 1.00 0.00 C ATOM 635 CG LEU A 42 8.502 -4.449 1.855 1.00 0.00 C ATOM 636 CD1 LEU A 42 7.305 -4.273 2.776 1.00 0.00 C ATOM 637 CD2 LEU A 42 9.770 -3.933 2.519 1.00 0.00 C ATOM 0 H LEU A 42 8.761 -6.059 -1.452 1.00 0.00 H new ATOM 0 HA LEU A 42 10.687 -5.786 0.745 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.708 -6.289 1.093 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.907 -6.494 2.355 1.00 0.00 H new ATOM 0 HG LEU A 42 8.326 -3.866 0.951 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.205 -3.222 3.046 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.401 -4.604 2.265 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.450 -4.867 3.679 1.00 0.00 H new ATOM 0 HD21 LEU A 42 9.637 -2.886 2.793 1.00 0.00 H new ATOM 0 HD22 LEU A 42 9.976 -4.519 3.415 1.00 0.00 H new ATOM 0 HD23 LEU A 42 10.606 -4.023 1.826 1.00 0.00 H new ATOM 649 N GLY A 43 10.331 -8.076 -1.000 1.00 0.00 N ATOM 650 CA GLY A 43 10.516 -9.483 -1.305 1.00 0.00 C ATOM 651 C GLY A 43 11.616 -10.115 -0.475 1.00 0.00 C ATOM 652 O GLY A 43 11.580 -11.314 -0.195 1.00 0.00 O ATOM 0 H GLY A 43 10.563 -7.438 -1.762 1.00 0.00 H new ATOM 0 HA2 GLY A 43 9.581 -10.016 -1.130 1.00 0.00 H new ATOM 0 HA3 GLY A 43 10.753 -9.594 -2.363 1.00 0.00 H new ATOM 656 N ILE A 44 12.595 -9.308 -0.079 1.00 0.00 N ATOM 657 CA ILE A 44 13.709 -9.797 0.724 1.00 0.00 C ATOM 658 C ILE A 44 13.256 -10.143 2.139 1.00 0.00 C ATOM 659 O ILE A 44 13.807 -11.041 2.776 1.00 0.00 O ATOM 660 CB ILE A 44 14.848 -8.757 0.794 1.00 0.00 C ATOM 661 CG1 ILE A 44 16.053 -9.334 1.540 1.00 0.00 C ATOM 662 CG2 ILE A 44 14.363 -7.479 1.463 1.00 0.00 C ATOM 663 CD1 ILE A 44 16.847 -10.332 0.727 1.00 0.00 C ATOM 0 H ILE A 44 12.639 -8.313 -0.301 1.00 0.00 H new ATOM 0 HA ILE A 44 14.082 -10.698 0.238 1.00 0.00 H new ATOM 0 HB ILE A 44 15.158 -8.514 -0.222 1.00 0.00 H new ATOM 0 HG12 ILE A 44 16.710 -8.517 1.839 1.00 0.00 H new ATOM 0 HG13 ILE A 44 15.707 -9.816 2.454 1.00 0.00 H new ATOM 0 HG21 ILE A 44 15.179 -6.757 1.504 1.00 0.00 H new ATOM 0 HG22 ILE A 44 13.536 -7.060 0.890 1.00 0.00 H new ATOM 0 HG23 ILE A 44 14.026 -7.703 2.475 1.00 0.00 H new ATOM 0 HD11 ILE A 44 17.685 -10.699 1.319 1.00 0.00 H new ATOM 0 HD12 ILE A 44 16.205 -11.168 0.450 1.00 0.00 H new ATOM 0 HD13 ILE A 44 17.224 -9.849 -0.175 1.00 0.00 H new ATOM 675 N LEU A 45 12.249 -9.425 2.624 1.00 0.00 N ATOM 676 CA LEU A 45 11.720 -9.656 3.964 1.00 0.00 C ATOM 677 C LEU A 45 10.433 -10.473 3.910 1.00 0.00 C ATOM 678 O LEU A 45 9.560 -10.331 4.766 1.00 0.00 O ATOM 679 CB LEU A 45 11.463 -8.325 4.670 1.00 0.00 C ATOM 680 CG LEU A 45 12.720 -7.536 5.041 1.00 0.00 C ATOM 681 CD1 LEU A 45 12.485 -6.043 4.871 1.00 0.00 C ATOM 682 CD2 LEU A 45 13.143 -7.851 6.468 1.00 0.00 C ATOM 0 H LEU A 45 11.782 -8.678 2.110 1.00 0.00 H new ATOM 0 HA LEU A 45 12.463 -10.221 4.527 1.00 0.00 H new ATOM 0 HB2 LEU A 45 10.839 -7.704 4.027 1.00 0.00 H new ATOM 0 HB3 LEU A 45 10.892 -8.517 5.578 1.00 0.00 H new ATOM 0 HG LEU A 45 13.524 -7.834 4.369 1.00 0.00 H new ATOM 0 HD11 LEU A 45 13.391 -5.499 5.140 1.00 0.00 H new ATOM 0 HD12 LEU A 45 12.229 -5.831 3.833 1.00 0.00 H new ATOM 0 HD13 LEU A 45 11.667 -5.727 5.518 1.00 0.00 H new ATOM 0 HD21 LEU A 45 14.039 -7.282 6.716 1.00 0.00 H new ATOM 0 HD22 LEU A 45 12.340 -7.581 7.154 1.00 0.00 H new ATOM 0 HD23 LEU A 45 13.354 -8.917 6.558 1.00 0.00 H new ATOM 694 N ASN A 46 10.322 -11.328 2.898 1.00 0.00 N ATOM 695 CA ASN A 46 9.139 -12.166 2.733 1.00 0.00 C ATOM 696 C ASN A 46 9.053 -13.207 3.845 1.00 0.00 C ATOM 697 O ASN A 46 7.968 -13.516 4.336 1.00 0.00 O ATOM 698 CB ASN A 46 9.166 -12.856 1.367 1.00 0.00 C ATOM 699 CG ASN A 46 8.030 -12.407 0.469 1.00 0.00 C ATOM 700 OD1 ASN A 46 7.059 -11.807 0.930 1.00 0.00 O ATOM 701 ND2 ASN A 46 8.146 -12.696 -0.822 1.00 0.00 N ATOM 0 H ASN A 46 11.036 -11.459 2.181 1.00 0.00 H new ATOM 0 HA ASN A 46 8.257 -11.528 2.791 1.00 0.00 H new ATOM 0 HB2 ASN A 46 10.117 -12.648 0.877 1.00 0.00 H new ATOM 0 HB3 ASN A 46 9.109 -13.935 1.507 1.00 0.00 H new ATOM 0 HD21 ASN A 46 7.413 -12.419 -1.475 1.00 0.00 H new ATOM 0 HD22 ASN A 46 8.968 -13.195 -1.161 1.00 0.00 H new ATOM 708 N ASN A 47 10.205 -13.745 4.237 1.00 0.00 N ATOM 709 CA ASN A 47 10.258 -14.751 5.290 1.00 0.00 C ATOM 710 C ASN A 47 9.939 -14.133 6.649 1.00 0.00 C ATOM 711 O ASN A 47 9.335 -14.776 7.507 1.00 0.00 O ATOM 712 CB ASN A 47 11.640 -15.407 5.327 1.00 0.00 C ATOM 713 CG ASN A 47 11.682 -16.708 4.550 1.00 0.00 C ATOM 714 OD1 ASN A 47 12.051 -17.753 5.087 1.00 0.00 O ATOM 715 ND2 ASN A 47 11.303 -16.652 3.279 1.00 0.00 N ATOM 0 H ASN A 47 11.113 -13.500 3.841 1.00 0.00 H new ATOM 0 HA ASN A 47 9.508 -15.511 5.071 1.00 0.00 H new ATOM 0 HB2 ASN A 47 12.378 -14.718 4.916 1.00 0.00 H new ATOM 0 HB3 ASN A 47 11.922 -15.596 6.363 1.00 0.00 H new ATOM 0 HD21 ASN A 47 11.310 -17.496 2.707 1.00 0.00 H new ATOM 0 HD22 ASN A 47 11.004 -15.765 2.874 1.00 0.00 H new ATOM 722 N ALA A 48 10.347 -12.882 6.835 1.00 0.00 N ATOM 723 CA ALA A 48 10.104 -12.177 8.087 1.00 0.00 C ATOM 724 C ALA A 48 8.610 -12.053 8.366 1.00 0.00 C ATOM 725 O ALA A 48 8.178 -12.090 9.518 1.00 0.00 O ATOM 726 CB ALA A 48 10.752 -10.801 8.052 1.00 0.00 C ATOM 0 H ALA A 48 10.848 -12.336 6.134 1.00 0.00 H new ATOM 0 HA ALA A 48 10.551 -12.757 8.895 1.00 0.00 H new ATOM 0 HB1 ALA A 48 10.562 -10.286 8.994 1.00 0.00 H new ATOM 0 HB2 ALA A 48 11.827 -10.909 7.907 1.00 0.00 H new ATOM 0 HB3 ALA A 48 10.331 -10.222 7.230 1.00 0.00 H new ATOM 732 N PHE A 49 7.826 -11.906 7.304 1.00 0.00 N ATOM 733 CA PHE A 49 6.379 -11.777 7.434 1.00 0.00 C ATOM 734 C PHE A 49 5.725 -13.143 7.615 1.00 0.00 C ATOM 735 O PHE A 49 4.741 -13.279 8.343 1.00 0.00 O ATOM 736 CB PHE A 49 5.795 -11.078 6.205 1.00 0.00 C ATOM 737 CG PHE A 49 6.553 -9.846 5.799 1.00 0.00 C ATOM 738 CD1 PHE A 49 6.901 -8.889 6.739 1.00 0.00 C ATOM 739 CD2 PHE A 49 6.918 -9.646 4.478 1.00 0.00 C ATOM 740 CE1 PHE A 49 7.598 -7.754 6.368 1.00 0.00 C ATOM 741 CE2 PHE A 49 7.615 -8.513 4.101 1.00 0.00 C ATOM 742 CZ PHE A 49 7.955 -7.567 5.047 1.00 0.00 C ATOM 0 H PHE A 49 8.168 -11.873 6.344 1.00 0.00 H new ATOM 0 HA PHE A 49 6.172 -11.175 8.318 1.00 0.00 H new ATOM 0 HB2 PHE A 49 5.782 -11.779 5.370 1.00 0.00 H new ATOM 0 HB3 PHE A 49 4.759 -10.807 6.409 1.00 0.00 H new ATOM 0 HD1 PHE A 49 6.625 -9.031 7.773 1.00 0.00 H new ATOM 0 HD2 PHE A 49 6.655 -10.383 3.734 1.00 0.00 H new ATOM 0 HE1 PHE A 49 7.863 -7.015 7.110 1.00 0.00 H new ATOM 0 HE2 PHE A 49 7.893 -8.368 3.068 1.00 0.00 H new ATOM 0 HZ PHE A 49 8.500 -6.681 4.754 1.00 0.00 H new ATOM 752 N ARG A 50 6.277 -14.151 6.947 1.00 0.00 N ATOM 753 CA ARG A 50 5.746 -15.508 7.035 1.00 0.00 C ATOM 754 C ARG A 50 5.761 -16.006 8.477 1.00 0.00 C ATOM 755 O ARG A 50 4.811 -16.641 8.934 1.00 0.00 O ATOM 756 CB ARG A 50 6.558 -16.453 6.148 1.00 0.00 C ATOM 757 CG ARG A 50 5.726 -17.560 5.519 1.00 0.00 C ATOM 758 CD ARG A 50 6.180 -17.861 4.099 1.00 0.00 C ATOM 759 NE ARG A 50 5.540 -19.059 3.562 1.00 0.00 N ATOM 760 CZ ARG A 50 5.921 -20.301 3.857 1.00 0.00 C ATOM 761 NH1 ARG A 50 6.940 -20.511 4.682 1.00 0.00 N ATOM 762 NH2 ARG A 50 5.283 -21.334 3.325 1.00 0.00 N ATOM 0 H ARG A 50 7.091 -14.055 6.339 1.00 0.00 H new ATOM 0 HA ARG A 50 4.713 -15.491 6.687 1.00 0.00 H new ATOM 0 HB2 ARG A 50 7.036 -15.875 5.357 1.00 0.00 H new ATOM 0 HB3 ARG A 50 7.355 -16.901 6.742 1.00 0.00 H new ATOM 0 HG2 ARG A 50 5.802 -18.463 6.125 1.00 0.00 H new ATOM 0 HG3 ARG A 50 4.676 -17.268 5.512 1.00 0.00 H new ATOM 0 HD2 ARG A 50 5.952 -17.010 3.457 1.00 0.00 H new ATOM 0 HD3 ARG A 50 7.262 -17.991 4.084 1.00 0.00 H new ATOM 0 HE ARG A 50 4.754 -18.937 2.923 1.00 0.00 H new ATOM 0 HH11 ARG A 50 7.435 -19.719 5.093 1.00 0.00 H new ATOM 0 HH12 ARG A 50 7.228 -21.464 4.905 1.00 0.00 H new ATOM 0 HH21 ARG A 50 4.500 -21.178 2.690 1.00 0.00 H new ATOM 0 HH22 ARG A 50 5.575 -22.285 3.551 1.00 0.00 H new ATOM 776 N LEU A 51 6.844 -15.712 9.189 1.00 0.00 N ATOM 777 CA LEU A 51 6.980 -16.128 10.579 1.00 0.00 C ATOM 778 C LEU A 51 5.971 -15.405 11.465 1.00 0.00 C ATOM 779 O LEU A 51 5.506 -15.949 12.467 1.00 0.00 O ATOM 780 CB LEU A 51 8.401 -15.856 11.079 1.00 0.00 C ATOM 781 CG LEU A 51 9.503 -16.622 10.345 1.00 0.00 C ATOM 782 CD1 LEU A 51 10.838 -15.909 10.494 1.00 0.00 C ATOM 783 CD2 LEU A 51 9.597 -18.049 10.868 1.00 0.00 C ATOM 0 H LEU A 51 7.640 -15.187 8.826 1.00 0.00 H new ATOM 0 HA LEU A 51 6.782 -17.199 10.632 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.602 -14.788 10.992 1.00 0.00 H new ATOM 0 HB3 LEU A 51 8.451 -16.105 12.139 1.00 0.00 H new ATOM 0 HG LEU A 51 9.251 -16.659 9.285 1.00 0.00 H new ATOM 0 HD11 LEU A 51 11.610 -16.468 9.966 1.00 0.00 H new ATOM 0 HD12 LEU A 51 10.764 -14.906 10.073 1.00 0.00 H new ATOM 0 HD13 LEU A 51 11.098 -15.841 11.550 1.00 0.00 H new ATOM 0 HD21 LEU A 51 10.386 -18.580 10.335 1.00 0.00 H new ATOM 0 HD22 LEU A 51 9.827 -18.032 11.933 1.00 0.00 H new ATOM 0 HD23 LEU A 51 8.646 -18.558 10.710 1.00 0.00 H new ATOM 795 N SER A 52 5.637 -14.174 11.089 1.00 0.00 N ATOM 796 CA SER A 52 4.684 -13.375 11.849 1.00 0.00 C ATOM 797 C SER A 52 3.286 -13.986 11.786 1.00 0.00 C ATOM 798 O SER A 52 2.974 -14.749 10.871 1.00 0.00 O ATOM 799 CB SER A 52 4.650 -11.941 11.317 1.00 0.00 C ATOM 800 OG SER A 52 5.781 -11.207 11.754 1.00 0.00 O ATOM 0 H SER A 52 6.013 -13.709 10.263 1.00 0.00 H new ATOM 0 HA SER A 52 5.008 -13.362 12.890 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.620 -11.955 10.227 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.739 -11.446 11.654 1.00 0.00 H new ATOM 0 HG SER A 52 6.541 -11.396 11.165 1.00 0.00 H new ATOM 806 N PRO A 53 2.422 -13.655 12.761 1.00 0.00 N ATOM 807 CA PRO A 53 1.051 -14.172 12.812 1.00 0.00 C ATOM 808 C PRO A 53 0.212 -13.702 11.629 1.00 0.00 C ATOM 809 O PRO A 53 -0.673 -14.417 11.159 1.00 0.00 O ATOM 810 CB PRO A 53 0.496 -13.604 14.122 1.00 0.00 C ATOM 811 CG PRO A 53 1.348 -12.418 14.419 1.00 0.00 C ATOM 812 CD PRO A 53 2.713 -12.750 13.887 1.00 0.00 C ATOM 0 HA PRO A 53 1.027 -15.261 12.765 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -0.551 -13.321 14.017 1.00 0.00 H new ATOM 0 HB3 PRO A 53 0.549 -14.339 14.925 1.00 0.00 H new ATOM 0 HG2 PRO A 53 0.950 -11.522 13.943 1.00 0.00 H new ATOM 0 HG3 PRO A 53 1.383 -12.221 15.490 1.00 0.00 H new ATOM 0 HD2 PRO A 53 3.246 -11.857 13.559 1.00 0.00 H new ATOM 0 HD3 PRO A 53 3.334 -13.233 14.642 1.00 0.00 H new ATOM 820 N ALA A 54 0.496 -12.495 11.152 1.00 0.00 N ATOM 821 CA ALA A 54 -0.232 -11.929 10.022 1.00 0.00 C ATOM 822 C ALA A 54 0.724 -11.295 9.015 1.00 0.00 C ATOM 823 O ALA A 54 0.984 -10.093 9.065 1.00 0.00 O ATOM 824 CB ALA A 54 -1.245 -10.904 10.508 1.00 0.00 C ATOM 0 H ALA A 54 1.225 -11.890 11.530 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.762 -12.738 9.520 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.781 -10.489 9.654 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.953 -11.384 11.183 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.727 -10.103 11.035 1.00 0.00 H new ATOM 830 N PRO A 55 1.262 -12.102 8.085 1.00 0.00 N ATOM 831 CA PRO A 55 2.194 -11.616 7.061 1.00 0.00 C ATOM 832 C PRO A 55 1.639 -10.422 6.292 1.00 0.00 C ATOM 833 O PRO A 55 2.393 -9.577 5.809 1.00 0.00 O ATOM 834 CB PRO A 55 2.363 -12.819 6.132 1.00 0.00 C ATOM 835 CG PRO A 55 2.052 -14.003 6.981 1.00 0.00 C ATOM 836 CD PRO A 55 1.004 -13.547 7.957 1.00 0.00 C ATOM 0 HA PRO A 55 3.129 -11.264 7.497 1.00 0.00 H new ATOM 0 HB2 PRO A 55 1.689 -12.757 5.278 1.00 0.00 H new ATOM 0 HB3 PRO A 55 3.377 -12.873 5.735 1.00 0.00 H new ATOM 0 HG2 PRO A 55 1.687 -14.833 6.375 1.00 0.00 H new ATOM 0 HG3 PRO A 55 2.943 -14.356 7.501 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -0.002 -13.744 7.587 1.00 0.00 H new ATOM 0 HD3 PRO A 55 1.098 -14.058 8.915 1.00 0.00 H new ATOM 844 N SER A 56 0.317 -10.361 6.179 1.00 0.00 N ATOM 845 CA SER A 56 -0.341 -9.272 5.465 1.00 0.00 C ATOM 846 C SER A 56 -0.350 -7.997 6.304 1.00 0.00 C ATOM 847 O SER A 56 -0.305 -6.890 5.769 1.00 0.00 O ATOM 848 CB SER A 56 -1.773 -9.665 5.099 1.00 0.00 C ATOM 849 OG SER A 56 -2.295 -10.604 6.022 1.00 0.00 O ATOM 0 H SER A 56 -0.321 -11.053 6.573 1.00 0.00 H new ATOM 0 HA SER A 56 0.221 -9.080 4.551 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.404 -8.777 5.083 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.792 -10.088 4.095 1.00 0.00 H new ATOM 0 HG SER A 56 -3.212 -10.838 5.767 1.00 0.00 H new ATOM 855 N LYS A 57 -0.406 -8.162 7.622 1.00 0.00 N ATOM 856 CA LYS A 57 -0.422 -7.025 8.534 1.00 0.00 C ATOM 857 C LYS A 57 0.982 -6.457 8.722 1.00 0.00 C ATOM 858 O LYS A 57 1.171 -5.242 8.761 1.00 0.00 O ATOM 859 CB LYS A 57 -1.004 -7.438 9.888 1.00 0.00 C ATOM 860 CG LYS A 57 -1.889 -6.377 10.519 1.00 0.00 C ATOM 861 CD LYS A 57 -2.844 -6.981 11.536 1.00 0.00 C ATOM 862 CE LYS A 57 -4.085 -7.548 10.867 1.00 0.00 C ATOM 863 NZ LYS A 57 -4.702 -8.637 11.674 1.00 0.00 N ATOM 0 H LYS A 57 -0.441 -9.072 8.082 1.00 0.00 H new ATOM 0 HA LYS A 57 -1.052 -6.250 8.097 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.582 -8.353 9.761 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -0.186 -7.670 10.570 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.267 -5.625 11.004 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.458 -5.867 9.742 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -2.336 -7.770 12.090 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -3.135 -6.220 12.260 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -4.813 -6.751 10.716 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -3.823 -7.931 9.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -5.545 -8.997 11.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -4.016 -9.409 11.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -4.976 -8.266 12.606 1.00 0.00 H new ATOM 877 N THR A 58 1.963 -7.348 8.839 1.00 0.00 N ATOM 878 CA THR A 58 3.350 -6.936 9.023 1.00 0.00 C ATOM 879 C THR A 58 3.888 -6.256 7.768 1.00 0.00 C ATOM 880 O THR A 58 4.744 -5.374 7.846 1.00 0.00 O ATOM 881 CB THR A 58 4.219 -8.144 9.374 1.00 0.00 C ATOM 882 OG1 THR A 58 3.484 -9.086 10.135 1.00 0.00 O ATOM 883 CG2 THR A 58 5.457 -7.782 10.164 1.00 0.00 C ATOM 0 H THR A 58 1.823 -8.358 8.810 1.00 0.00 H new ATOM 0 HA THR A 58 3.384 -6.220 9.844 1.00 0.00 H new ATOM 0 HB THR A 58 4.529 -8.564 8.417 1.00 0.00 H new ATOM 0 HG1 THR A 58 3.998 -9.336 10.931 1.00 0.00 H new ATOM 0 HG21 THR A 58 6.028 -8.685 10.379 1.00 0.00 H new ATOM 0 HG22 THR A 58 6.071 -7.094 9.583 1.00 0.00 H new ATOM 0 HG23 THR A 58 5.165 -7.305 11.100 1.00 0.00 H new ATOM 891 N LEU A 59 3.380 -6.670 6.611 1.00 0.00 N ATOM 892 CA LEU A 59 3.811 -6.100 5.340 1.00 0.00 C ATOM 893 C LEU A 59 3.532 -4.602 5.292 1.00 0.00 C ATOM 894 O LEU A 59 4.435 -3.800 5.051 1.00 0.00 O ATOM 895 CB LEU A 59 3.102 -6.801 4.179 1.00 0.00 C ATOM 896 CG LEU A 59 3.685 -6.510 2.795 1.00 0.00 C ATOM 897 CD1 LEU A 59 5.069 -7.125 2.659 1.00 0.00 C ATOM 898 CD2 LEU A 59 2.758 -7.032 1.707 1.00 0.00 C ATOM 0 H LEU A 59 2.670 -7.398 6.528 1.00 0.00 H new ATOM 0 HA LEU A 59 4.886 -6.253 5.247 1.00 0.00 H new ATOM 0 HB2 LEU A 59 3.133 -7.877 4.351 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.052 -6.507 4.184 1.00 0.00 H new ATOM 0 HG LEU A 59 3.777 -5.430 2.679 1.00 0.00 H new ATOM 0 HD11 LEU A 59 5.468 -6.908 1.668 1.00 0.00 H new ATOM 0 HD12 LEU A 59 5.730 -6.704 3.417 1.00 0.00 H new ATOM 0 HD13 LEU A 59 5.002 -8.204 2.795 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.188 -6.817 0.729 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.635 -8.109 1.820 1.00 0.00 H new ATOM 0 HD23 LEU A 59 1.787 -6.545 1.792 1.00 0.00 H new ATOM 910 N MET A 60 2.277 -4.230 5.520 1.00 0.00 N ATOM 911 CA MET A 60 1.879 -2.827 5.502 1.00 0.00 C ATOM 912 C MET A 60 2.647 -2.030 6.551 1.00 0.00 C ATOM 913 O MET A 60 2.928 -0.845 6.363 1.00 0.00 O ATOM 914 CB MET A 60 0.375 -2.698 5.748 1.00 0.00 C ATOM 915 CG MET A 60 -0.475 -3.315 4.649 1.00 0.00 C ATOM 916 SD MET A 60 -0.103 -2.639 3.020 1.00 0.00 S ATOM 917 CE MET A 60 -0.792 -3.909 1.962 1.00 0.00 C ATOM 0 H MET A 60 1.517 -4.881 5.720 1.00 0.00 H new ATOM 0 HA MET A 60 2.115 -2.421 4.518 1.00 0.00 H new ATOM 0 HB2 MET A 60 0.128 -3.173 6.697 1.00 0.00 H new ATOM 0 HB3 MET A 60 0.120 -1.643 5.844 1.00 0.00 H new ATOM 0 HG2 MET A 60 -0.317 -4.393 4.635 1.00 0.00 H new ATOM 0 HG3 MET A 60 -1.529 -3.150 4.874 1.00 0.00 H new ATOM 0 HE1 MET A 60 -0.704 -3.602 0.920 1.00 0.00 H new ATOM 0 HE2 MET A 60 -0.249 -4.842 2.112 1.00 0.00 H new ATOM 0 HE3 MET A 60 -1.843 -4.057 2.209 1.00 0.00 H new ATOM 927 N ASP A 61 2.985 -2.686 7.656 1.00 0.00 N ATOM 928 CA ASP A 61 3.720 -2.037 8.735 1.00 0.00 C ATOM 929 C ASP A 61 5.164 -1.766 8.322 1.00 0.00 C ATOM 930 O ASP A 61 5.772 -0.790 8.762 1.00 0.00 O ATOM 931 CB ASP A 61 3.693 -2.908 9.994 1.00 0.00 C ATOM 932 CG ASP A 61 2.606 -2.485 10.963 1.00 0.00 C ATOM 933 OD1 ASP A 61 2.865 -1.586 11.791 1.00 0.00 O ATOM 934 OD2 ASP A 61 1.496 -3.054 10.896 1.00 0.00 O ATOM 0 H ASP A 61 2.762 -3.666 7.828 1.00 0.00 H new ATOM 0 HA ASP A 61 3.236 -1.084 8.950 1.00 0.00 H new ATOM 0 HB2 ASP A 61 3.538 -3.949 9.710 1.00 0.00 H new ATOM 0 HB3 ASP A 61 4.661 -2.854 10.491 1.00 0.00 H new ATOM 939 N ASN A 62 5.705 -2.635 7.476 1.00 0.00 N ATOM 940 CA ASN A 62 7.077 -2.488 7.004 1.00 0.00 C ATOM 941 C ASN A 62 7.151 -1.503 5.841 1.00 0.00 C ATOM 942 O ASN A 62 8.051 -0.667 5.780 1.00 0.00 O ATOM 943 CB ASN A 62 7.639 -3.845 6.575 1.00 0.00 C ATOM 944 CG ASN A 62 8.219 -4.624 7.737 1.00 0.00 C ATOM 945 OD1 ASN A 62 9.419 -4.899 7.779 1.00 0.00 O ATOM 946 ND2 ASN A 62 7.369 -4.987 8.690 1.00 0.00 N ATOM 0 H ASN A 62 5.215 -3.448 7.103 1.00 0.00 H new ATOM 0 HA ASN A 62 7.677 -2.097 7.826 1.00 0.00 H new ATOM 0 HB2 ASN A 62 6.848 -4.431 6.107 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.412 -3.693 5.821 1.00 0.00 H new ATOM 0 HD21 ASN A 62 7.702 -5.515 9.497 1.00 0.00 H new ATOM 0 HD22 ASN A 62 6.383 -4.738 8.615 1.00 0.00 H new ATOM 953 N TYR A 63 6.199 -1.611 4.921 1.00 0.00 N ATOM 954 CA TYR A 63 6.155 -0.731 3.759 1.00 0.00 C ATOM 955 C TYR A 63 5.848 0.704 4.173 1.00 0.00 C ATOM 956 O TYR A 63 6.343 1.655 3.568 1.00 0.00 O ATOM 957 CB TYR A 63 5.106 -1.222 2.761 1.00 0.00 C ATOM 958 CG TYR A 63 5.251 -0.616 1.382 1.00 0.00 C ATOM 959 CD1 TYR A 63 6.484 -0.585 0.744 1.00 0.00 C ATOM 960 CD2 TYR A 63 4.155 -0.077 0.722 1.00 0.00 C ATOM 961 CE1 TYR A 63 6.620 -0.032 -0.515 1.00 0.00 C ATOM 962 CE2 TYR A 63 4.284 0.478 -0.538 1.00 0.00 C ATOM 963 CZ TYR A 63 5.518 0.498 -1.152 1.00 0.00 C ATOM 964 OH TYR A 63 5.650 1.050 -2.405 1.00 0.00 O ATOM 0 H TYR A 63 5.447 -2.299 4.957 1.00 0.00 H new ATOM 0 HA TYR A 63 7.136 -0.750 3.284 1.00 0.00 H new ATOM 0 HB2 TYR A 63 5.173 -2.307 2.681 1.00 0.00 H new ATOM 0 HB3 TYR A 63 4.113 -0.992 3.147 1.00 0.00 H new ATOM 0 HD1 TYR A 63 7.350 -0.999 1.239 1.00 0.00 H new ATOM 0 HD2 TYR A 63 3.187 -0.091 1.200 1.00 0.00 H new ATOM 0 HE1 TYR A 63 7.586 -0.015 -0.998 1.00 0.00 H new ATOM 0 HE2 TYR A 63 3.422 0.894 -1.039 1.00 0.00 H new ATOM 0 HH TYR A 63 6.376 0.600 -2.886 1.00 0.00 H new ATOM 974 N GLU A 64 5.027 0.854 5.207 1.00 0.00 N ATOM 975 CA GLU A 64 4.653 2.174 5.701 1.00 0.00 C ATOM 976 C GLU A 64 5.863 2.903 6.277 1.00 0.00 C ATOM 977 O GLU A 64 6.029 4.106 6.077 1.00 0.00 O ATOM 978 CB GLU A 64 3.562 2.053 6.767 1.00 0.00 C ATOM 979 CG GLU A 64 3.047 3.392 7.267 1.00 0.00 C ATOM 980 CD GLU A 64 1.730 3.271 8.008 1.00 0.00 C ATOM 981 OE1 GLU A 64 0.703 2.999 7.352 1.00 0.00 O ATOM 982 OE2 GLU A 64 1.725 3.449 9.244 1.00 0.00 O ATOM 0 H GLU A 64 4.608 0.078 5.719 1.00 0.00 H new ATOM 0 HA GLU A 64 4.269 2.752 4.861 1.00 0.00 H new ATOM 0 HB2 GLU A 64 2.728 1.483 6.358 1.00 0.00 H new ATOM 0 HB3 GLU A 64 3.953 1.485 7.612 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.791 3.840 7.926 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.923 4.068 6.421 1.00 0.00 H new ATOM 989 N VAL A 65 6.705 2.165 6.994 1.00 0.00 N ATOM 990 CA VAL A 65 7.900 2.741 7.598 1.00 0.00 C ATOM 991 C VAL A 65 9.011 2.912 6.567 1.00 0.00 C ATOM 992 O VAL A 65 9.859 3.794 6.695 1.00 0.00 O ATOM 993 CB VAL A 65 8.420 1.868 8.757 1.00 0.00 C ATOM 994 CG1 VAL A 65 9.556 2.567 9.487 1.00 0.00 C ATOM 995 CG2 VAL A 65 7.290 1.527 9.717 1.00 0.00 C ATOM 0 H VAL A 65 6.581 1.168 7.170 1.00 0.00 H new ATOM 0 HA VAL A 65 7.617 3.719 7.988 1.00 0.00 H new ATOM 0 HB VAL A 65 8.806 0.938 8.340 1.00 0.00 H new ATOM 0 HG11 VAL A 65 9.909 1.934 10.301 1.00 0.00 H new ATOM 0 HG12 VAL A 65 10.375 2.754 8.792 1.00 0.00 H new ATOM 0 HG13 VAL A 65 9.200 3.514 9.892 1.00 0.00 H new ATOM 0 HG21 VAL A 65 7.676 0.910 10.529 1.00 0.00 H new ATOM 0 HG22 VAL A 65 6.871 2.446 10.127 1.00 0.00 H new ATOM 0 HG23 VAL A 65 6.512 0.980 9.184 1.00 0.00 H new ATOM 1005 N SER A 66 9.000 2.063 5.544 1.00 0.00 N ATOM 1006 CA SER A 66 10.007 2.123 4.492 1.00 0.00 C ATOM 1007 C SER A 66 9.480 2.875 3.274 1.00 0.00 C ATOM 1008 O SER A 66 9.834 2.563 2.137 1.00 0.00 O ATOM 1009 CB SER A 66 10.436 0.711 4.086 1.00 0.00 C ATOM 1010 OG SER A 66 11.411 0.198 4.978 1.00 0.00 O ATOM 0 H SER A 66 8.305 1.326 5.422 1.00 0.00 H new ATOM 0 HA SER A 66 10.871 2.661 4.883 1.00 0.00 H new ATOM 0 HB2 SER A 66 9.567 0.053 4.074 1.00 0.00 H new ATOM 0 HB3 SER A 66 10.838 0.727 3.073 1.00 0.00 H new ATOM 0 HG SER A 66 11.667 -0.706 4.698 1.00 0.00 H new ATOM 1016 N GLY A 67 8.634 3.870 3.520 1.00 0.00 N ATOM 1017 CA GLY A 67 8.072 4.653 2.435 1.00 0.00 C ATOM 1018 C GLY A 67 6.820 4.027 1.853 1.00 0.00 C ATOM 1019 O GLY A 67 6.863 3.409 0.790 1.00 0.00 O ATOM 0 H GLY A 67 8.327 4.148 4.452 1.00 0.00 H new ATOM 0 HA2 GLY A 67 7.839 5.654 2.797 1.00 0.00 H new ATOM 0 HA3 GLY A 67 8.818 4.765 1.648 1.00 0.00 H new ATOM 1023 N GLY A 68 5.700 4.188 2.551 1.00 0.00 N ATOM 1024 CA GLY A 68 4.447 3.629 2.081 1.00 0.00 C ATOM 1025 C GLY A 68 3.610 4.640 1.321 1.00 0.00 C ATOM 1026 O GLY A 68 3.231 5.677 1.866 1.00 0.00 O ATOM 0 H GLY A 68 5.639 4.696 3.434 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.653 2.774 1.436 1.00 0.00 H new ATOM 0 HA3 GLY A 68 3.877 3.256 2.932 1.00 0.00 H new ATOM 1030 N THR A 69 3.324 4.340 0.058 1.00 0.00 N ATOM 1031 CA THR A 69 2.530 5.232 -0.779 1.00 0.00 C ATOM 1032 C THR A 69 1.319 4.503 -1.355 1.00 0.00 C ATOM 1033 O THR A 69 1.261 3.274 -1.348 1.00 0.00 O ATOM 1034 CB THR A 69 3.385 5.797 -1.913 1.00 0.00 C ATOM 1035 OG1 THR A 69 4.107 4.765 -2.560 1.00 0.00 O ATOM 1036 CG2 THR A 69 4.385 6.834 -1.448 1.00 0.00 C ATOM 0 H THR A 69 3.630 3.486 -0.408 1.00 0.00 H new ATOM 0 HA THR A 69 2.176 6.054 -0.156 1.00 0.00 H new ATOM 0 HB THR A 69 2.681 6.273 -2.595 1.00 0.00 H new ATOM 0 HG1 THR A 69 5.010 5.081 -2.771 1.00 0.00 H new ATOM 0 HG21 THR A 69 4.959 7.194 -2.302 1.00 0.00 H new ATOM 0 HG22 THR A 69 3.856 7.669 -0.988 1.00 0.00 H new ATOM 0 HG23 THR A 69 5.061 6.387 -0.719 1.00 0.00 H new ATOM 1044 N VAL A 70 0.355 5.272 -1.851 1.00 0.00 N ATOM 1045 CA VAL A 70 -0.855 4.700 -2.431 1.00 0.00 C ATOM 1046 C VAL A 70 -0.664 4.405 -3.916 1.00 0.00 C ATOM 1047 O VAL A 70 -1.225 3.446 -4.445 1.00 0.00 O ATOM 1048 CB VAL A 70 -2.063 5.641 -2.256 1.00 0.00 C ATOM 1049 CG1 VAL A 70 -3.342 4.963 -2.723 1.00 0.00 C ATOM 1050 CG2 VAL A 70 -2.187 6.088 -0.806 1.00 0.00 C ATOM 0 H VAL A 70 0.388 6.291 -1.863 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.052 3.769 -1.900 1.00 0.00 H new ATOM 0 HB VAL A 70 -1.902 6.525 -2.873 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -4.183 5.643 -2.591 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.250 4.699 -3.777 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -3.510 4.060 -2.136 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -3.045 6.752 -0.702 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -2.323 5.216 -0.167 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.281 6.617 -0.510 1.00 0.00 H new ATOM 1060 N ARG A 71 0.130 5.237 -4.582 1.00 0.00 N ATOM 1061 CA ARG A 71 0.394 5.067 -6.006 1.00 0.00 C ATOM 1062 C ARG A 71 1.047 3.716 -6.279 1.00 0.00 C ATOM 1063 O ARG A 71 0.797 3.090 -7.309 1.00 0.00 O ATOM 1064 CB ARG A 71 1.293 6.194 -6.518 1.00 0.00 C ATOM 1065 CG ARG A 71 0.982 6.620 -7.944 1.00 0.00 C ATOM 1066 CD ARG A 71 2.200 6.496 -8.846 1.00 0.00 C ATOM 1067 NE ARG A 71 1.841 6.537 -10.261 1.00 0.00 N ATOM 1068 CZ ARG A 71 1.572 7.658 -10.925 1.00 0.00 C ATOM 1069 NH1 ARG A 71 1.618 8.832 -10.306 1.00 0.00 N ATOM 1070 NH2 ARG A 71 1.254 7.608 -12.211 1.00 0.00 N ATOM 0 H ARG A 71 0.602 6.036 -4.158 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.559 5.104 -6.534 1.00 0.00 H new ATOM 0 HB2 ARG A 71 1.191 7.057 -5.859 1.00 0.00 H new ATOM 0 HB3 ARG A 71 2.333 5.872 -6.462 1.00 0.00 H new ATOM 0 HG2 ARG A 71 0.173 6.006 -8.339 1.00 0.00 H new ATOM 0 HG3 ARG A 71 0.630 7.652 -7.947 1.00 0.00 H new ATOM 0 HD2 ARG A 71 2.898 7.304 -8.626 1.00 0.00 H new ATOM 0 HD3 ARG A 71 2.717 5.561 -8.630 1.00 0.00 H new ATOM 0 HE ARG A 71 1.794 5.654 -10.770 1.00 0.00 H new ATOM 0 HH11 ARG A 71 1.861 8.878 -9.316 1.00 0.00 H new ATOM 0 HH12 ARG A 71 1.411 9.688 -10.820 1.00 0.00 H new ATOM 0 HH21 ARG A 71 1.215 6.709 -12.692 1.00 0.00 H new ATOM 0 HH22 ARG A 71 1.048 8.468 -12.719 1.00 0.00 H new ATOM 1084 N GLU A 72 1.887 3.272 -5.350 1.00 0.00 N ATOM 1085 CA GLU A 72 2.578 1.996 -5.489 1.00 0.00 C ATOM 1086 C GLU A 72 1.661 0.837 -5.109 1.00 0.00 C ATOM 1087 O GLU A 72 1.775 -0.261 -5.654 1.00 0.00 O ATOM 1088 CB GLU A 72 3.834 1.975 -4.616 1.00 0.00 C ATOM 1089 CG GLU A 72 4.942 2.885 -5.122 1.00 0.00 C ATOM 1090 CD GLU A 72 6.152 2.115 -5.613 1.00 0.00 C ATOM 1091 OE1 GLU A 72 6.107 1.599 -6.750 1.00 0.00 O ATOM 1092 OE2 GLU A 72 7.145 2.028 -4.860 1.00 0.00 O ATOM 0 H GLU A 72 2.106 3.778 -4.492 1.00 0.00 H new ATOM 0 HA GLU A 72 2.868 1.879 -6.533 1.00 0.00 H new ATOM 0 HB2 GLU A 72 3.566 2.272 -3.602 1.00 0.00 H new ATOM 0 HB3 GLU A 72 4.211 0.954 -4.561 1.00 0.00 H new ATOM 0 HG2 GLU A 72 4.557 3.504 -5.932 1.00 0.00 H new ATOM 0 HG3 GLU A 72 5.246 3.560 -4.322 1.00 0.00 H new ATOM 1099 N LEU A 73 0.753 1.091 -4.173 1.00 0.00 N ATOM 1100 CA LEU A 73 -0.183 0.069 -3.720 1.00 0.00 C ATOM 1101 C LEU A 73 -1.178 -0.285 -4.820 1.00 0.00 C ATOM 1102 O LEU A 73 -1.454 -1.459 -5.069 1.00 0.00 O ATOM 1103 CB LEU A 73 -0.931 0.548 -2.474 1.00 0.00 C ATOM 1104 CG LEU A 73 -1.794 -0.512 -1.789 1.00 0.00 C ATOM 1105 CD1 LEU A 73 -0.945 -1.698 -1.361 1.00 0.00 C ATOM 1106 CD2 LEU A 73 -2.520 0.085 -0.593 1.00 0.00 C ATOM 0 H LEU A 73 0.645 1.995 -3.714 1.00 0.00 H new ATOM 0 HA LEU A 73 0.388 -0.825 -3.471 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.204 0.923 -1.754 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -1.567 1.388 -2.752 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.538 -0.864 -2.503 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.577 -2.442 -0.875 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -0.471 -2.141 -2.237 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.177 -1.363 -0.663 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -3.130 -0.683 -0.117 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.791 0.465 0.123 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -3.160 0.902 -0.927 1.00 0.00 H new ATOM 1118 N VAL A 74 -1.715 0.739 -5.477 1.00 0.00 N ATOM 1119 CA VAL A 74 -2.680 0.537 -6.551 1.00 0.00 C ATOM 1120 C VAL A 74 -2.045 -0.201 -7.725 1.00 0.00 C ATOM 1121 O VAL A 74 -2.675 -1.056 -8.348 1.00 0.00 O ATOM 1122 CB VAL A 74 -3.255 1.875 -7.051 1.00 0.00 C ATOM 1123 CG1 VAL A 74 -4.377 1.637 -8.051 1.00 0.00 C ATOM 1124 CG2 VAL A 74 -3.745 2.719 -5.882 1.00 0.00 C ATOM 0 H VAL A 74 -1.498 1.717 -5.284 1.00 0.00 H new ATOM 0 HA VAL A 74 -3.490 -0.065 -6.140 1.00 0.00 H new ATOM 0 HB VAL A 74 -2.459 2.422 -7.556 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -4.770 2.595 -8.392 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -3.992 1.078 -8.904 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.174 1.067 -7.574 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.148 3.660 -6.256 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -4.525 2.179 -5.345 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.914 2.923 -5.207 1.00 0.00 H new ATOM 1134 N GLU A 75 -0.793 0.133 -8.020 1.00 0.00 N ATOM 1135 CA GLU A 75 -0.072 -0.498 -9.119 1.00 0.00 C ATOM 1136 C GLU A 75 0.252 -1.952 -8.791 1.00 0.00 C ATOM 1137 O GLU A 75 0.083 -2.840 -9.627 1.00 0.00 O ATOM 1138 CB GLU A 75 1.216 0.271 -9.419 1.00 0.00 C ATOM 1139 CG GLU A 75 1.076 1.269 -10.558 1.00 0.00 C ATOM 1140 CD GLU A 75 2.277 1.268 -11.484 1.00 0.00 C ATOM 1141 OE1 GLU A 75 2.363 0.364 -12.342 1.00 0.00 O ATOM 1142 OE2 GLU A 75 3.131 2.170 -11.352 1.00 0.00 O ATOM 0 H GLU A 75 -0.257 0.837 -7.513 1.00 0.00 H new ATOM 0 HA GLU A 75 -0.711 -0.478 -10.002 1.00 0.00 H new ATOM 0 HB2 GLU A 75 1.532 0.800 -8.520 1.00 0.00 H new ATOM 0 HB3 GLU A 75 2.005 -0.440 -9.664 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.179 1.036 -11.132 1.00 0.00 H new ATOM 0 HG3 GLU A 75 0.940 2.269 -10.146 1.00 0.00 H new ATOM 1149 N ALA A 76 0.718 -2.188 -7.569 1.00 0.00 N ATOM 1150 CA ALA A 76 1.065 -3.534 -7.131 1.00 0.00 C ATOM 1151 C ALA A 76 -0.143 -4.462 -7.198 1.00 0.00 C ATOM 1152 O ALA A 76 -0.008 -5.655 -7.468 1.00 0.00 O ATOM 1153 CB ALA A 76 1.628 -3.499 -5.717 1.00 0.00 C ATOM 0 H ALA A 76 0.864 -1.464 -6.865 1.00 0.00 H new ATOM 0 HA ALA A 76 1.827 -3.924 -7.805 1.00 0.00 H new ATOM 0 HB1 ALA A 76 1.883 -4.511 -5.402 1.00 0.00 H new ATOM 0 HB2 ALA A 76 2.522 -2.876 -5.697 1.00 0.00 H new ATOM 0 HB3 ALA A 76 0.882 -3.085 -5.039 1.00 0.00 H new ATOM 1159 N LEU A 77 -1.324 -3.904 -6.951 1.00 0.00 N ATOM 1160 CA LEU A 77 -2.558 -4.682 -6.985 1.00 0.00 C ATOM 1161 C LEU A 77 -2.927 -5.055 -8.416 1.00 0.00 C ATOM 1162 O LEU A 77 -3.456 -6.138 -8.669 1.00 0.00 O ATOM 1163 CB LEU A 77 -3.699 -3.893 -6.340 1.00 0.00 C ATOM 1164 CG LEU A 77 -3.576 -3.693 -4.829 1.00 0.00 C ATOM 1165 CD1 LEU A 77 -4.569 -2.646 -4.347 1.00 0.00 C ATOM 1166 CD2 LEU A 77 -3.791 -5.010 -4.099 1.00 0.00 C ATOM 0 H LEU A 77 -1.453 -2.918 -6.725 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.396 -5.600 -6.421 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.758 -2.915 -6.817 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -4.638 -4.406 -6.548 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.569 -3.338 -4.609 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -4.467 -2.517 -3.269 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.369 -1.698 -4.847 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -5.583 -2.972 -4.579 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.700 -4.850 -3.025 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.786 -5.393 -4.326 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.041 -5.732 -4.423 1.00 0.00 H new ATOM 1178 N ARG A 78 -2.644 -4.152 -9.349 1.00 0.00 N ATOM 1179 CA ARG A 78 -2.947 -4.386 -10.756 1.00 0.00 C ATOM 1180 C ARG A 78 -1.991 -5.416 -11.354 1.00 0.00 C ATOM 1181 O ARG A 78 -2.370 -6.196 -12.228 1.00 0.00 O ATOM 1182 CB ARG A 78 -2.864 -3.075 -11.542 1.00 0.00 C ATOM 1183 CG ARG A 78 -4.122 -2.763 -12.335 1.00 0.00 C ATOM 1184 CD ARG A 78 -4.143 -1.316 -12.802 1.00 0.00 C ATOM 1185 NE ARG A 78 -5.261 -1.046 -13.702 1.00 0.00 N ATOM 1186 CZ ARG A 78 -6.519 -0.892 -13.297 1.00 0.00 C ATOM 1187 NH1 ARG A 78 -6.823 -0.979 -12.008 1.00 0.00 N ATOM 1188 NH2 ARG A 78 -7.476 -0.651 -14.181 1.00 0.00 N ATOM 0 H ARG A 78 -2.205 -3.252 -9.156 1.00 0.00 H new ATOM 0 HA ARG A 78 -3.962 -4.777 -10.824 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -2.669 -2.257 -10.849 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -2.016 -3.123 -12.225 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -4.183 -3.426 -13.198 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -5.000 -2.960 -11.719 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -4.208 -0.657 -11.936 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -3.206 -1.085 -13.309 1.00 0.00 H new ATOM 0 HE ARG A 78 -5.066 -0.971 -14.700 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -6.091 -1.165 -11.323 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -7.789 -0.860 -11.703 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -7.249 -0.583 -15.173 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -8.440 -0.533 -13.870 1.00 0.00 H new ATOM 1202 N GLN A 79 -0.752 -5.412 -10.875 1.00 0.00 N ATOM 1203 CA GLN A 79 0.257 -6.347 -11.361 1.00 0.00 C ATOM 1204 C GLN A 79 -0.106 -7.780 -10.991 1.00 0.00 C ATOM 1205 O GLN A 79 0.152 -8.713 -11.750 1.00 0.00 O ATOM 1206 CB GLN A 79 1.630 -5.991 -10.787 1.00 0.00 C ATOM 1207 CG GLN A 79 2.294 -4.814 -11.482 1.00 0.00 C ATOM 1208 CD GLN A 79 3.806 -4.852 -11.378 1.00 0.00 C ATOM 1209 OE1 GLN A 79 4.436 -5.863 -11.688 1.00 0.00 O ATOM 1210 NE2 GLN A 79 4.397 -3.747 -10.938 1.00 0.00 N ATOM 0 H GLN A 79 -0.422 -4.773 -10.152 1.00 0.00 H new ATOM 0 HA GLN A 79 0.294 -6.271 -12.448 1.00 0.00 H new ATOM 0 HB2 GLN A 79 1.523 -5.763 -9.727 1.00 0.00 H new ATOM 0 HB3 GLN A 79 2.282 -6.861 -10.861 1.00 0.00 H new ATOM 0 HG2 GLN A 79 2.006 -4.808 -12.533 1.00 0.00 H new ATOM 0 HG3 GLN A 79 1.927 -3.885 -11.046 1.00 0.00 H new ATOM 0 HE21 GLN A 79 3.836 -2.932 -10.692 1.00 0.00 H new ATOM 0 HE22 GLN A 79 5.412 -3.714 -10.846 1.00 0.00 H new ATOM 1219 N MET A 80 -0.709 -7.948 -9.817 1.00 0.00 N ATOM 1220 CA MET A 80 -1.108 -9.267 -9.345 1.00 0.00 C ATOM 1221 C MET A 80 -2.463 -9.664 -9.922 1.00 0.00 C ATOM 1222 O MET A 80 -2.696 -10.830 -10.244 1.00 0.00 O ATOM 1223 CB MET A 80 -1.166 -9.289 -7.817 1.00 0.00 C ATOM 1224 CG MET A 80 0.196 -9.155 -7.155 1.00 0.00 C ATOM 1225 SD MET A 80 0.084 -8.977 -5.364 1.00 0.00 S ATOM 1226 CE MET A 80 -1.107 -10.256 -4.972 1.00 0.00 C ATOM 0 H MET A 80 -0.931 -7.186 -9.176 1.00 0.00 H new ATOM 0 HA MET A 80 -0.363 -9.987 -9.684 1.00 0.00 H new ATOM 0 HB2 MET A 80 -1.809 -8.478 -7.474 1.00 0.00 H new ATOM 0 HB3 MET A 80 -1.628 -10.221 -7.493 1.00 0.00 H new ATOM 0 HG2 MET A 80 0.799 -10.032 -7.392 1.00 0.00 H new ATOM 0 HG3 MET A 80 0.714 -8.291 -7.570 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.230 -10.320 -3.891 1.00 0.00 H new ATOM 0 HE2 MET A 80 -2.065 -10.015 -5.432 1.00 0.00 H new ATOM 0 HE3 MET A 80 -0.752 -11.213 -5.354 1.00 0.00 H new ATOM 1236 N GLY A 81 -3.355 -8.686 -10.052 1.00 0.00 N ATOM 1237 CA GLY A 81 -4.675 -8.953 -10.592 1.00 0.00 C ATOM 1238 C GLY A 81 -5.776 -8.724 -9.574 1.00 0.00 C ATOM 1239 O GLY A 81 -6.831 -9.356 -9.639 1.00 0.00 O ATOM 0 H GLY A 81 -3.187 -7.714 -9.793 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -4.846 -8.313 -11.458 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -4.718 -9.984 -10.944 1.00 0.00 H new ATOM 1243 N TYR A 82 -5.534 -7.819 -8.632 1.00 0.00 N ATOM 1244 CA TYR A 82 -6.514 -7.509 -7.599 1.00 0.00 C ATOM 1245 C TYR A 82 -7.556 -6.522 -8.118 1.00 0.00 C ATOM 1246 O TYR A 82 -7.232 -5.596 -8.861 1.00 0.00 O ATOM 1247 CB TYR A 82 -5.819 -6.933 -6.363 1.00 0.00 C ATOM 1248 CG TYR A 82 -5.553 -7.960 -5.284 1.00 0.00 C ATOM 1249 CD1 TYR A 82 -6.595 -8.669 -4.702 1.00 0.00 C ATOM 1250 CD2 TYR A 82 -4.260 -8.217 -4.848 1.00 0.00 C ATOM 1251 CE1 TYR A 82 -6.357 -9.608 -3.715 1.00 0.00 C ATOM 1252 CE2 TYR A 82 -4.012 -9.154 -3.863 1.00 0.00 C ATOM 1253 CZ TYR A 82 -5.063 -9.846 -3.300 1.00 0.00 C ATOM 1254 OH TYR A 82 -4.821 -10.779 -2.318 1.00 0.00 O ATOM 0 H TYR A 82 -4.666 -7.287 -8.563 1.00 0.00 H new ATOM 0 HA TYR A 82 -7.021 -8.434 -7.323 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -4.874 -6.482 -6.665 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -6.435 -6.135 -5.949 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -7.609 -8.484 -5.025 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -3.434 -7.676 -5.286 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -7.179 -10.151 -3.272 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -3.000 -9.343 -3.536 1.00 0.00 H new ATOM 0 HH TYR A 82 -5.640 -11.286 -2.140 1.00 0.00 H new ATOM 1264 N THR A 83 -8.808 -6.728 -7.722 1.00 0.00 N ATOM 1265 CA THR A 83 -9.898 -5.856 -8.148 1.00 0.00 C ATOM 1266 C THR A 83 -10.572 -5.202 -6.947 1.00 0.00 C ATOM 1267 O THR A 83 -10.834 -3.999 -6.949 1.00 0.00 O ATOM 1268 CB THR A 83 -10.926 -6.649 -8.956 1.00 0.00 C ATOM 1269 OG1 THR A 83 -10.298 -7.688 -9.686 1.00 0.00 O ATOM 1270 CG2 THR A 83 -11.699 -5.799 -9.940 1.00 0.00 C ATOM 0 H THR A 83 -9.093 -7.490 -7.107 1.00 0.00 H new ATOM 0 HA THR A 83 -9.478 -5.071 -8.778 1.00 0.00 H new ATOM 0 HB THR A 83 -11.624 -7.049 -8.220 1.00 0.00 H new ATOM 0 HG1 THR A 83 -10.973 -8.184 -10.195 1.00 0.00 H new ATOM 0 HG21 THR A 83 -12.411 -6.424 -10.480 1.00 0.00 H new ATOM 0 HG22 THR A 83 -12.237 -5.018 -9.402 1.00 0.00 H new ATOM 0 HG23 THR A 83 -11.007 -5.342 -10.648 1.00 0.00 H new ATOM 1278 N GLU A 84 -10.851 -6.002 -5.924 1.00 0.00 N ATOM 1279 CA GLU A 84 -11.496 -5.500 -4.716 1.00 0.00 C ATOM 1280 C GLU A 84 -10.527 -4.657 -3.892 1.00 0.00 C ATOM 1281 O GLU A 84 -10.932 -3.713 -3.213 1.00 0.00 O ATOM 1282 CB GLU A 84 -12.026 -6.665 -3.875 1.00 0.00 C ATOM 1283 CG GLU A 84 -13.541 -6.777 -3.878 1.00 0.00 C ATOM 1284 CD GLU A 84 -14.053 -7.812 -2.896 1.00 0.00 C ATOM 1285 OE1 GLU A 84 -14.126 -7.498 -1.689 1.00 0.00 O ATOM 1286 OE2 GLU A 84 -14.377 -8.936 -3.331 1.00 0.00 O ATOM 0 H GLU A 84 -10.641 -7.000 -5.907 1.00 0.00 H new ATOM 0 HA GLU A 84 -12.332 -4.868 -5.014 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -11.600 -7.596 -4.250 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -11.681 -6.547 -2.848 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -13.973 -5.806 -3.635 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -13.880 -7.035 -4.881 1.00 0.00 H new ATOM 1293 N ALA A 85 -9.246 -5.005 -3.957 1.00 0.00 N ATOM 1294 CA ALA A 85 -8.219 -4.280 -3.216 1.00 0.00 C ATOM 1295 C ALA A 85 -8.106 -2.839 -3.701 1.00 0.00 C ATOM 1296 O ALA A 85 -7.933 -1.918 -2.904 1.00 0.00 O ATOM 1297 CB ALA A 85 -6.879 -4.989 -3.344 1.00 0.00 C ATOM 0 H ALA A 85 -8.894 -5.783 -4.514 1.00 0.00 H new ATOM 0 HA ALA A 85 -8.509 -4.260 -2.165 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.121 -4.438 -2.787 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -6.962 -5.999 -2.943 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.592 -5.038 -4.394 1.00 0.00 H new ATOM 1303 N ILE A 86 -8.204 -2.651 -5.014 1.00 0.00 N ATOM 1304 CA ILE A 86 -8.113 -1.321 -5.604 1.00 0.00 C ATOM 1305 C ILE A 86 -9.357 -0.496 -5.295 1.00 0.00 C ATOM 1306 O ILE A 86 -9.269 0.702 -5.024 1.00 0.00 O ATOM 1307 CB ILE A 86 -7.926 -1.395 -7.132 1.00 0.00 C ATOM 1308 CG1 ILE A 86 -6.793 -2.360 -7.484 1.00 0.00 C ATOM 1309 CG2 ILE A 86 -7.646 -0.010 -7.699 1.00 0.00 C ATOM 1310 CD1 ILE A 86 -6.548 -2.487 -8.972 1.00 0.00 C ATOM 0 H ILE A 86 -8.346 -3.403 -5.688 1.00 0.00 H new ATOM 0 HA ILE A 86 -7.241 -0.839 -5.162 1.00 0.00 H new ATOM 0 HB ILE A 86 -8.847 -1.770 -7.578 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -5.876 -2.023 -7.000 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -7.025 -3.344 -7.077 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -7.516 -0.078 -8.779 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -8.483 0.651 -7.475 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.738 0.391 -7.249 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -5.731 -3.187 -9.148 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -7.451 -2.853 -9.460 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -6.285 -1.512 -9.382 1.00 0.00 H new ATOM 1322 N GLU A 87 -10.518 -1.143 -5.338 1.00 0.00 N ATOM 1323 CA GLU A 87 -11.780 -0.468 -5.063 1.00 0.00 C ATOM 1324 C GLU A 87 -11.793 0.107 -3.650 1.00 0.00 C ATOM 1325 O GLU A 87 -12.374 1.165 -3.405 1.00 0.00 O ATOM 1326 CB GLU A 87 -12.950 -1.438 -5.240 1.00 0.00 C ATOM 1327 CG GLU A 87 -13.201 -1.828 -6.688 1.00 0.00 C ATOM 1328 CD GLU A 87 -14.376 -2.775 -6.840 1.00 0.00 C ATOM 1329 OE1 GLU A 87 -14.211 -3.978 -6.549 1.00 0.00 O ATOM 1330 OE2 GLU A 87 -15.461 -2.312 -7.252 1.00 0.00 O ATOM 0 H GLU A 87 -10.610 -2.134 -5.561 1.00 0.00 H new ATOM 0 HA GLU A 87 -11.886 0.353 -5.772 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -12.756 -2.339 -4.658 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -13.853 -0.984 -4.833 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -13.385 -0.929 -7.276 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -12.305 -2.297 -7.095 1.00 0.00 H new ATOM 1337 N VAL A 88 -11.148 -0.595 -2.725 1.00 0.00 N ATOM 1338 CA VAL A 88 -11.084 -0.153 -1.337 1.00 0.00 C ATOM 1339 C VAL A 88 -10.373 1.190 -1.220 1.00 0.00 C ATOM 1340 O VAL A 88 -10.672 1.986 -0.330 1.00 0.00 O ATOM 1341 CB VAL A 88 -10.358 -1.183 -0.451 1.00 0.00 C ATOM 1342 CG1 VAL A 88 -10.481 -0.806 1.017 1.00 0.00 C ATOM 1343 CG2 VAL A 88 -10.903 -2.584 -0.699 1.00 0.00 C ATOM 0 H VAL A 88 -10.662 -1.472 -2.911 1.00 0.00 H new ATOM 0 HA VAL A 88 -12.113 -0.049 -0.992 1.00 0.00 H new ATOM 0 HB VAL A 88 -9.301 -1.180 -0.715 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -9.962 -1.545 1.627 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -10.036 0.176 1.179 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -11.534 -0.778 1.298 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -10.377 -3.297 -0.064 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -11.968 -2.607 -0.466 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -10.755 -2.852 -1.745 1.00 0.00 H new ATOM 1353 N ILE A 89 -9.430 1.436 -2.123 1.00 0.00 N ATOM 1354 CA ILE A 89 -8.675 2.683 -2.120 1.00 0.00 C ATOM 1355 C ILE A 89 -9.289 3.699 -3.077 1.00 0.00 C ATOM 1356 O ILE A 89 -9.252 4.903 -2.827 1.00 0.00 O ATOM 1357 CB ILE A 89 -7.203 2.450 -2.512 1.00 0.00 C ATOM 1358 CG1 ILE A 89 -6.607 1.305 -1.690 1.00 0.00 C ATOM 1359 CG2 ILE A 89 -6.395 3.725 -2.318 1.00 0.00 C ATOM 1360 CD1 ILE A 89 -5.363 0.704 -2.306 1.00 0.00 C ATOM 0 H ILE A 89 -9.170 0.788 -2.867 1.00 0.00 H new ATOM 0 HA ILE A 89 -8.715 3.074 -1.103 1.00 0.00 H new ATOM 0 HB ILE A 89 -7.163 2.174 -3.566 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -6.368 1.671 -0.692 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -7.358 0.524 -1.572 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -5.357 3.545 -2.599 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -6.808 4.516 -2.944 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -6.440 4.029 -1.272 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -4.995 -0.101 -1.670 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -5.601 0.307 -3.293 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -4.595 1.472 -2.399 1.00 0.00 H new ATOM 1372 N GLN A 90 -9.854 3.205 -4.174 1.00 0.00 N ATOM 1373 CA GLN A 90 -10.476 4.070 -5.169 1.00 0.00 C ATOM 1374 C GLN A 90 -11.815 4.602 -4.667 1.00 0.00 C ATOM 1375 O GLN A 90 -12.170 5.754 -4.918 1.00 0.00 O ATOM 1376 CB GLN A 90 -10.677 3.312 -6.482 1.00 0.00 C ATOM 1377 CG GLN A 90 -9.401 3.155 -7.295 1.00 0.00 C ATOM 1378 CD GLN A 90 -9.632 2.431 -8.607 1.00 0.00 C ATOM 1379 OE1 GLN A 90 -10.242 1.362 -8.641 1.00 0.00 O ATOM 1380 NE2 GLN A 90 -9.144 3.012 -9.697 1.00 0.00 N ATOM 0 H GLN A 90 -9.894 2.210 -4.396 1.00 0.00 H new ATOM 0 HA GLN A 90 -9.811 4.916 -5.344 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -11.083 2.324 -6.263 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -11.420 3.835 -7.084 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -8.980 4.140 -7.497 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -8.665 2.608 -6.707 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -8.645 3.898 -9.622 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -9.268 2.572 -10.609 1.00 0.00 H new ATOM 1389 N ALA A 91 -12.553 3.757 -3.956 1.00 0.00 N ATOM 1390 CA ALA A 91 -13.851 4.141 -3.419 1.00 0.00 C ATOM 1391 C ALA A 91 -13.697 4.933 -2.124 1.00 0.00 C ATOM 1392 O ALA A 91 -14.497 5.821 -1.828 1.00 0.00 O ATOM 1393 CB ALA A 91 -14.712 2.909 -3.186 1.00 0.00 C ATOM 0 H ALA A 91 -12.273 2.801 -3.738 1.00 0.00 H new ATOM 0 HA ALA A 91 -14.343 4.782 -4.151 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -15.679 3.212 -2.784 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -14.859 2.384 -4.130 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -14.216 2.247 -2.476 1.00 0.00 H new ATOM 1399 N ALA A 92 -12.663 4.606 -1.357 1.00 0.00 N ATOM 1400 CA ALA A 92 -12.403 5.287 -0.094 1.00 0.00 C ATOM 1401 C ALA A 92 -11.781 6.659 -0.329 1.00 0.00 C ATOM 1402 O ALA A 92 -12.304 7.675 0.128 1.00 0.00 O ATOM 1403 CB ALA A 92 -11.498 4.438 0.787 1.00 0.00 C ATOM 0 H ALA A 92 -11.991 3.874 -1.588 1.00 0.00 H new ATOM 0 HA ALA A 92 -13.355 5.431 0.416 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -11.312 4.959 1.726 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -11.981 3.482 0.991 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -10.551 4.264 0.275 1.00 0.00 H new ATOM 1409 N SER A 93 -10.660 6.680 -1.042 1.00 0.00 N ATOM 1410 CA SER A 93 -9.966 7.928 -1.337 1.00 0.00 C ATOM 1411 C SER A 93 -10.116 8.298 -2.809 1.00 0.00 C ATOM 1412 O SER A 93 -9.642 7.582 -3.692 1.00 0.00 O ATOM 1413 CB SER A 93 -8.484 7.809 -0.978 1.00 0.00 C ATOM 1414 OG SER A 93 -8.018 6.483 -1.165 1.00 0.00 O ATOM 0 H SER A 93 -10.213 5.848 -1.426 1.00 0.00 H new ATOM 0 HA SER A 93 -10.416 8.717 -0.734 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.901 8.493 -1.595 1.00 0.00 H new ATOM 0 HB3 SER A 93 -8.333 8.108 0.059 1.00 0.00 H new ATOM 0 HG SER A 93 -8.266 6.172 -2.061 1.00 0.00 H new ATOM 1420 N SER A 94 -10.778 9.421 -3.067 1.00 0.00 N ATOM 1421 CA SER A 94 -10.990 9.886 -4.433 1.00 0.00 C ATOM 1422 C SER A 94 -10.693 11.378 -4.554 1.00 0.00 C ATOM 1423 O SER A 94 -9.880 11.793 -5.380 1.00 0.00 O ATOM 1424 CB SER A 94 -12.428 9.603 -4.873 1.00 0.00 C ATOM 1425 OG SER A 94 -12.530 8.338 -5.501 1.00 0.00 O ATOM 0 H SER A 94 -11.177 10.026 -2.349 1.00 0.00 H new ATOM 0 HA SER A 94 -10.304 9.344 -5.084 1.00 0.00 H new ATOM 0 HB2 SER A 94 -13.090 9.637 -4.007 1.00 0.00 H new ATOM 0 HB3 SER A 94 -12.761 10.381 -5.560 1.00 0.00 H new ATOM 0 HG SER A 94 -12.300 7.634 -4.859 1.00 0.00 H new ATOM 1431 N SER A 95 -11.358 12.178 -3.725 1.00 0.00 N ATOM 1432 CA SER A 95 -11.168 13.625 -3.738 1.00 0.00 C ATOM 1433 C SER A 95 -11.660 14.227 -5.051 1.00 0.00 C ATOM 1434 O SER A 95 -12.734 14.826 -5.107 1.00 0.00 O ATOM 1435 CB SER A 95 -9.691 13.972 -3.521 1.00 0.00 C ATOM 1436 OG SER A 95 -9.523 14.786 -2.373 1.00 0.00 O ATOM 0 H SER A 95 -12.034 11.848 -3.036 1.00 0.00 H new ATOM 0 HA SER A 95 -11.754 14.050 -2.923 1.00 0.00 H new ATOM 0 HB2 SER A 95 -9.111 13.056 -3.409 1.00 0.00 H new ATOM 0 HB3 SER A 95 -9.303 14.490 -4.398 1.00 0.00 H new ATOM 0 HG SER A 95 -8.572 14.992 -2.255 1.00 0.00 H new ATOM 1442 N GLY A 96 -10.868 14.063 -6.107 1.00 0.00 N ATOM 1443 CA GLY A 96 -11.242 14.596 -7.404 1.00 0.00 C ATOM 1444 C GLY A 96 -10.447 13.973 -8.538 1.00 0.00 C ATOM 1445 O GLY A 96 -10.776 12.881 -8.999 1.00 0.00 O ATOM 0 H GLY A 96 -9.975 13.571 -6.087 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -12.305 14.423 -7.572 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -11.090 15.675 -7.408 1.00 0.00 H new ATOM 1449 N PRO A 97 -9.385 14.648 -9.012 1.00 0.00 N ATOM 1450 CA PRO A 97 -8.550 14.137 -10.103 1.00 0.00 C ATOM 1451 C PRO A 97 -7.642 12.997 -9.653 1.00 0.00 C ATOM 1452 O PRO A 97 -6.671 13.214 -8.929 1.00 0.00 O ATOM 1453 CB PRO A 97 -7.719 15.354 -10.507 1.00 0.00 C ATOM 1454 CG PRO A 97 -7.622 16.171 -9.266 1.00 0.00 C ATOM 1455 CD PRO A 97 -8.914 15.959 -8.524 1.00 0.00 C ATOM 0 HA PRO A 97 -9.146 13.720 -10.915 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -6.733 15.059 -10.866 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -8.198 15.911 -11.312 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -6.770 15.861 -8.661 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -7.478 17.225 -9.504 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -8.760 15.953 -7.445 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -9.634 16.749 -8.739 1.00 0.00 H new ATOM 1463 N SER A 98 -7.966 11.783 -10.086 1.00 0.00 N ATOM 1464 CA SER A 98 -7.180 10.609 -9.728 1.00 0.00 C ATOM 1465 C SER A 98 -6.609 9.935 -10.971 1.00 0.00 C ATOM 1466 O SER A 98 -7.350 9.552 -11.877 1.00 0.00 O ATOM 1467 CB SER A 98 -8.037 9.614 -8.943 1.00 0.00 C ATOM 1468 OG SER A 98 -9.242 9.326 -9.631 1.00 0.00 O ATOM 0 H SER A 98 -8.768 11.587 -10.685 1.00 0.00 H new ATOM 0 HA SER A 98 -6.351 10.937 -9.101 1.00 0.00 H new ATOM 0 HB2 SER A 98 -7.476 8.693 -8.783 1.00 0.00 H new ATOM 0 HB3 SER A 98 -8.265 10.023 -7.959 1.00 0.00 H new ATOM 0 HG SER A 98 -9.095 9.407 -10.597 1.00 0.00 H new ATOM 1474 N SER A 99 -5.288 9.794 -11.009 1.00 0.00 N ATOM 1475 CA SER A 99 -4.618 9.165 -12.142 1.00 0.00 C ATOM 1476 C SER A 99 -4.653 7.646 -12.019 1.00 0.00 C ATOM 1477 O SER A 99 -4.023 7.071 -11.131 1.00 0.00 O ATOM 1478 CB SER A 99 -3.171 9.649 -12.239 1.00 0.00 C ATOM 1479 OG SER A 99 -2.547 9.162 -13.415 1.00 0.00 O ATOM 0 H SER A 99 -4.660 10.107 -10.268 1.00 0.00 H new ATOM 0 HA SER A 99 -5.149 9.450 -13.050 1.00 0.00 H new ATOM 0 HB2 SER A 99 -3.148 10.739 -12.236 1.00 0.00 H new ATOM 0 HB3 SER A 99 -2.614 9.316 -11.363 1.00 0.00 H new ATOM 0 HG SER A 99 -1.623 9.487 -13.454 1.00 0.00 H new ATOM 1485 N GLY A 100 -5.390 7.000 -12.917 1.00 0.00 N ATOM 1486 CA GLY A 100 -5.491 5.553 -12.891 1.00 0.00 C ATOM 1487 C GLY A 100 -6.913 5.067 -13.086 1.00 0.00 C ATOM 1488 O GLY A 100 -7.844 5.891 -12.965 1.00 0.00 O ATOM 1489 OXT GLY A 100 -7.096 3.863 -13.364 1.00 0.00 O ATOM 0 H GLY A 100 -5.919 7.453 -13.662 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -4.857 5.134 -13.672 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -5.111 5.183 -11.939 1.00 0.00 H new TER 1493 GLY A 100