USER MOD reduce.3.24.130724 H: found=0, std=0, add=862, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 862 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 103 HIS : no HD1:sc= -7.13! C(o=-7.1!,f=-6.8!) USER MOD Set 1.2: A 107 LYS NZ :NH3+ -108:sc= 0.024 (180deg=0) USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0198 USER MOD Single : A 6 GLN : amide:sc= -0.139 K(o=-0.14,f=-1.7!) USER MOD Single : A -1 HIS : no HD1:sc= -0.0396 X(o=-0.04,f=-0.22) USER MOD Single : A -2 HIS : no HD1:sc= -0.184 X(o=-0.18,f=-0.38) USER MOD Single : A -3 HIS : no HD1:sc= -0.206 K(o=-0.21,f=-0.78) USER MOD Single : A -4 HIS : no HE2:sc= -0.345 K(o=-0.35,f=-3.5!) USER MOD Single : A -5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -6 HIS : no HD1:sc= -0.252 X(o=-0.25,f=-0.011) USER MOD Single : A -8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -8 MET N :NH3+ -173:sc= 0 (180deg=-0.0351) USER MOD Single : A 13 CYS SG : rot 118:sc= 0.234 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0.31) USER MOD Single : A 16 GLN : amide:sc= -0.823 K(o=-0.82,f=-3.4!) USER MOD Single : A 17 THR OG1 : rot 83:sc= 0.616 USER MOD Single : A 20 TYR OH : rot 40:sc= 0.423 USER MOD Single : A 24 HIS : no HD1:sc= -0.033 X(o=-0.033,f=0) USER MOD Single : A 26 SER OG : rot 35:sc= 0.0884 USER MOD Single : A 29 SER OG : rot 17:sc= 1.22 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -67:sc= 0.0135 USER MOD Single : A 39 CYS SG : rot 170:sc= -1.3 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 GLN :FLIP amide:sc= -0.426 F(o=-1.2,f=-0.43) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 THR OG1 : rot -84:sc= 0.104 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= -0.0701 K(o=-0.07,f=-0.96) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot -103:sc= 0.876 USER MOD Single : A 100 SER OG : rot 74:sc= 0.527 USER MOD Single : A 101 HIS : no HD1:sc= -1.38 X(o=-1.4,f=-1.1) USER MOD Single : A 104 SER OG : rot -84:sc= 1.18 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -8 -0.700 -22.963 3.267 1.00 0.00 N ATOM 2 CA MET A -8 -0.586 -24.429 3.054 1.00 0.00 C ATOM 3 C MET A -8 0.766 -24.952 3.530 1.00 0.00 C ATOM 4 O MET A -8 0.849 -26.011 4.153 1.00 0.00 O ATOM 5 CB MET A -8 -0.770 -24.722 1.565 1.00 0.00 C ATOM 6 CG MET A -8 -1.231 -26.141 1.275 1.00 0.00 C ATOM 7 SD MET A -8 -1.489 -26.442 -0.483 1.00 0.00 S ATOM 8 CE MET A -8 -1.154 -28.199 -0.578 1.00 0.00 C ATOM 0 H1 MET A -8 -1.668 -22.654 3.046 1.00 0.00 H new ATOM 0 H2 MET A -8 -0.483 -22.738 4.259 1.00 0.00 H new ATOM 0 H3 MET A -8 -0.029 -22.469 2.645 1.00 0.00 H new ATOM 0 HA MET A -8 -1.357 -24.935 3.635 1.00 0.00 H new ATOM 0 HB2 MET A -8 -1.497 -24.022 1.153 1.00 0.00 H new ATOM 0 HB3 MET A -8 0.173 -24.543 1.049 1.00 0.00 H new ATOM 0 HG2 MET A -8 -0.490 -26.844 1.655 1.00 0.00 H new ATOM 0 HG3 MET A -8 -2.159 -26.334 1.813 1.00 0.00 H new ATOM 0 HE1 MET A -8 -1.273 -28.537 -1.607 1.00 0.00 H new ATOM 0 HE2 MET A -8 -0.134 -28.393 -0.248 1.00 0.00 H new ATOM 0 HE3 MET A -8 -1.852 -28.738 0.063 1.00 0.00 H new ATOM 20 N GLY A -7 1.822 -24.202 3.234 1.00 0.00 N ATOM 21 CA GLY A -7 3.156 -24.606 3.639 1.00 0.00 C ATOM 22 C GLY A -7 4.206 -23.571 3.290 1.00 0.00 C ATOM 23 O GLY A -7 4.576 -22.746 4.126 1.00 0.00 O ATOM 0 H GLY A -7 1.778 -23.322 2.721 1.00 0.00 H new ATOM 0 HA2 GLY A -7 3.168 -24.783 4.715 1.00 0.00 H new ATOM 0 HA3 GLY A -7 3.408 -25.551 3.158 1.00 0.00 H new ATOM 27 N HIS A -6 4.689 -23.614 2.053 1.00 0.00 N ATOM 28 CA HIS A -6 5.705 -22.673 1.596 1.00 0.00 C ATOM 29 C HIS A -6 6.977 -22.797 2.427 1.00 0.00 C ATOM 30 O HIS A -6 7.010 -22.398 3.593 1.00 0.00 O ATOM 31 CB HIS A -6 5.172 -21.241 1.668 1.00 0.00 C ATOM 32 CG HIS A -6 4.066 -20.965 0.698 1.00 0.00 C ATOM 33 ND1 HIS A -6 3.766 -19.701 0.237 1.00 0.00 N ATOM 34 CD2 HIS A -6 3.181 -21.800 0.101 1.00 0.00 C ATOM 35 CE1 HIS A -6 2.747 -19.769 -0.602 1.00 0.00 C ATOM 36 NE2 HIS A -6 2.375 -21.032 -0.704 1.00 0.00 N ATOM 0 H HIS A -6 4.393 -24.290 1.349 1.00 0.00 H new ATOM 0 HA HIS A -6 5.946 -22.913 0.560 1.00 0.00 H new ATOM 0 HB2 HIS A -6 4.815 -21.045 2.679 1.00 0.00 H new ATOM 0 HB3 HIS A -6 5.991 -20.547 1.479 1.00 0.00 H new ATOM 0 HD2 HIS A -6 3.121 -22.870 0.233 1.00 0.00 H new ATOM 0 HE1 HIS A -6 2.295 -18.934 -1.117 1.00 0.00 H new ATOM 0 HE2 HIS A -6 1.613 -21.381 -1.286 1.00 0.00 H new ATOM 45 N HIS A -5 8.022 -23.351 1.822 1.00 0.00 N ATOM 46 CA HIS A -5 9.297 -23.526 2.507 1.00 0.00 C ATOM 47 C HIS A -5 10.272 -22.411 2.138 1.00 0.00 C ATOM 48 O HIS A -5 11.487 -22.610 2.136 1.00 0.00 O ATOM 49 CB HIS A -5 9.901 -24.890 2.161 1.00 0.00 C ATOM 50 CG HIS A -5 9.768 -25.899 3.259 1.00 0.00 C ATOM 51 ND1 HIS A -5 8.553 -26.277 3.789 1.00 0.00 N ATOM 52 CD2 HIS A -5 10.707 -26.610 3.928 1.00 0.00 C ATOM 53 CE1 HIS A -5 8.750 -27.177 4.737 1.00 0.00 C ATOM 54 NE2 HIS A -5 10.048 -27.396 4.839 1.00 0.00 N ATOM 0 H HIS A -5 8.011 -23.686 0.859 1.00 0.00 H new ATOM 0 HA HIS A -5 9.115 -23.480 3.581 1.00 0.00 H new ATOM 0 HB2 HIS A -5 9.417 -25.276 1.264 1.00 0.00 H new ATOM 0 HB3 HIS A -5 10.957 -24.761 1.923 1.00 0.00 H new ATOM 0 HD2 HIS A -5 11.775 -26.566 3.773 1.00 0.00 H new ATOM 0 HE1 HIS A -5 7.980 -27.652 5.327 1.00 0.00 H new ATOM 0 HE2 HIS A -5 10.490 -28.045 5.490 1.00 0.00 H new ATOM 63 N HIS A -4 9.731 -21.237 1.829 1.00 0.00 N ATOM 64 CA HIS A -4 10.553 -20.091 1.458 1.00 0.00 C ATOM 65 C HIS A -4 9.877 -18.784 1.860 1.00 0.00 C ATOM 66 O HIS A -4 8.672 -18.613 1.673 1.00 0.00 O ATOM 67 CB HIS A -4 10.826 -20.097 -0.049 1.00 0.00 C ATOM 68 CG HIS A -4 12.152 -20.688 -0.413 1.00 0.00 C ATOM 69 ND1 HIS A -4 12.477 -22.008 -0.187 1.00 0.00 N ATOM 70 CD2 HIS A -4 13.241 -20.129 -0.993 1.00 0.00 C ATOM 71 CE1 HIS A -4 13.708 -22.236 -0.611 1.00 0.00 C ATOM 72 NE2 HIS A -4 14.192 -21.113 -1.105 1.00 0.00 N ATOM 0 H HIS A -4 8.727 -21.054 1.828 1.00 0.00 H new ATOM 0 HA HIS A -4 11.501 -20.168 1.991 1.00 0.00 H new ATOM 0 HB2 HIS A -4 10.037 -20.657 -0.551 1.00 0.00 H new ATOM 0 HB3 HIS A -4 10.778 -19.074 -0.423 1.00 0.00 H new ATOM 0 HD1 HIS A -4 11.863 -22.701 0.241 1.00 0.00 H new ATOM 0 HD2 HIS A -4 13.342 -19.101 -1.308 1.00 0.00 H new ATOM 0 HE1 HIS A -4 14.229 -23.181 -0.561 1.00 0.00 H new ATOM 81 N HIS A -3 10.660 -17.864 2.414 1.00 0.00 N ATOM 82 CA HIS A -3 10.136 -16.572 2.843 1.00 0.00 C ATOM 83 C HIS A -3 9.878 -15.665 1.645 1.00 0.00 C ATOM 84 O HIS A -3 10.787 -15.371 0.868 1.00 0.00 O ATOM 85 CB HIS A -3 11.114 -15.898 3.806 1.00 0.00 C ATOM 86 CG HIS A -3 11.349 -16.677 5.064 1.00 0.00 C ATOM 87 ND1 HIS A -3 10.743 -17.888 5.323 1.00 0.00 N ATOM 88 CD2 HIS A -3 12.131 -16.412 6.137 1.00 0.00 C ATOM 89 CE1 HIS A -3 11.140 -18.333 6.502 1.00 0.00 C ATOM 90 NE2 HIS A -3 11.983 -17.457 7.015 1.00 0.00 N ATOM 0 H HIS A -3 11.659 -17.989 2.576 1.00 0.00 H new ATOM 0 HA HIS A -3 9.190 -16.743 3.356 1.00 0.00 H new ATOM 0 HB2 HIS A -3 12.067 -15.748 3.298 1.00 0.00 H new ATOM 0 HB3 HIS A -3 10.733 -14.910 4.066 1.00 0.00 H new ATOM 0 HD2 HIS A -3 12.755 -15.541 6.276 1.00 0.00 H new ATOM 0 HE1 HIS A -3 10.828 -19.257 6.967 1.00 0.00 H new ATOM 0 HE2 HIS A -3 12.449 -17.542 7.918 1.00 0.00 H new ATOM 99 N HIS A -2 8.633 -15.223 1.501 1.00 0.00 N ATOM 100 CA HIS A -2 8.255 -14.349 0.397 1.00 0.00 C ATOM 101 C HIS A -2 8.614 -12.898 0.706 1.00 0.00 C ATOM 102 O HIS A -2 8.564 -12.467 1.857 1.00 0.00 O ATOM 103 CB HIS A -2 6.755 -14.470 0.114 1.00 0.00 C ATOM 104 CG HIS A -2 6.443 -15.224 -1.141 1.00 0.00 C ATOM 105 ND1 HIS A -2 7.143 -15.052 -2.316 1.00 0.00 N ATOM 106 CD2 HIS A -2 5.498 -16.159 -1.401 1.00 0.00 C ATOM 107 CE1 HIS A -2 6.643 -15.848 -3.245 1.00 0.00 C ATOM 108 NE2 HIS A -2 5.645 -16.530 -2.714 1.00 0.00 N ATOM 0 H HIS A -2 7.869 -15.456 2.135 1.00 0.00 H new ATOM 0 HA HIS A -2 8.809 -14.660 -0.488 1.00 0.00 H new ATOM 0 HB2 HIS A -2 6.273 -14.967 0.956 1.00 0.00 H new ATOM 0 HB3 HIS A -2 6.325 -13.471 0.045 1.00 0.00 H new ATOM 0 HD2 HIS A -2 4.766 -16.541 -0.705 1.00 0.00 H new ATOM 0 HE1 HIS A -2 6.991 -15.927 -4.264 1.00 0.00 H new ATOM 0 HE2 HIS A -2 5.075 -17.221 -3.201 1.00 0.00 H new ATOM 117 N HIS A -1 8.975 -12.149 -0.333 1.00 0.00 N ATOM 118 CA HIS A -1 9.342 -10.748 -0.175 1.00 0.00 C ATOM 119 C HIS A -1 8.585 -9.872 -1.168 1.00 0.00 C ATOM 120 O HIS A -1 7.937 -10.375 -2.084 1.00 0.00 O ATOM 121 CB HIS A -1 10.850 -10.569 -0.364 1.00 0.00 C ATOM 122 CG HIS A -1 11.664 -11.093 0.779 1.00 0.00 C ATOM 123 ND1 HIS A -1 11.329 -10.882 2.101 1.00 0.00 N ATOM 124 CD2 HIS A -1 12.801 -11.829 0.794 1.00 0.00 C ATOM 125 CE1 HIS A -1 12.228 -11.460 2.878 1.00 0.00 C ATOM 126 NE2 HIS A -1 13.130 -12.042 2.111 1.00 0.00 N ATOM 0 H HIS A -1 9.021 -12.491 -1.293 1.00 0.00 H new ATOM 0 HA HIS A -1 9.071 -10.439 0.834 1.00 0.00 H new ATOM 0 HB2 HIS A -1 11.156 -11.076 -1.279 1.00 0.00 H new ATOM 0 HB3 HIS A -1 11.068 -9.509 -0.498 1.00 0.00 H new ATOM 0 HD2 HIS A -1 13.347 -12.182 -0.068 1.00 0.00 H new ATOM 0 HE1 HIS A -1 12.225 -11.457 3.958 1.00 0.00 H new ATOM 0 HE2 HIS A -1 13.940 -12.565 2.442 1.00 0.00 H new ATOM 135 N MET A 0 8.676 -8.559 -0.981 1.00 0.00 N ATOM 136 CA MET A 0 8.001 -7.613 -1.860 1.00 0.00 C ATOM 137 C MET A 0 6.490 -7.826 -1.830 1.00 0.00 C ATOM 138 O MET A 0 5.918 -8.423 -2.743 1.00 0.00 O ATOM 139 CB MET A 0 8.521 -7.756 -3.293 1.00 0.00 C ATOM 140 CG MET A 0 8.574 -6.441 -4.054 1.00 0.00 C ATOM 141 SD MET A 0 9.906 -6.397 -5.268 1.00 0.00 S ATOM 142 CE MET A 0 9.150 -5.422 -6.565 1.00 0.00 C ATOM 0 H MET A 0 9.211 -8.127 -0.228 1.00 0.00 H new ATOM 0 HA MET A 0 8.215 -6.606 -1.503 1.00 0.00 H new ATOM 0 HB2 MET A 0 9.520 -8.192 -3.267 1.00 0.00 H new ATOM 0 HB3 MET A 0 7.883 -8.454 -3.834 1.00 0.00 H new ATOM 0 HG2 MET A 0 7.622 -6.279 -4.559 1.00 0.00 H new ATOM 0 HG3 MET A 0 8.704 -5.621 -3.347 1.00 0.00 H new ATOM 0 HE1 MET A 0 9.853 -5.306 -7.390 1.00 0.00 H new ATOM 0 HE2 MET A 0 8.252 -5.925 -6.922 1.00 0.00 H new ATOM 0 HE3 MET A 0 8.884 -4.440 -6.174 1.00 0.00 H new ATOM 152 N GLY A 1 5.850 -7.332 -0.777 1.00 0.00 N ATOM 153 CA GLY A 1 4.412 -7.478 -0.648 1.00 0.00 C ATOM 154 C GLY A 1 3.765 -6.282 0.024 1.00 0.00 C ATOM 155 O GLY A 1 2.720 -6.410 0.662 1.00 0.00 O ATOM 0 H GLY A 1 6.301 -6.833 -0.010 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.974 -7.616 -1.636 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.191 -8.377 -0.073 1.00 0.00 H new ATOM 159 N SER A 2 4.388 -5.117 -0.120 1.00 0.00 N ATOM 160 CA SER A 2 3.867 -3.893 0.479 1.00 0.00 C ATOM 161 C SER A 2 3.792 -2.773 -0.555 1.00 0.00 C ATOM 162 O SER A 2 2.786 -2.069 -0.648 1.00 0.00 O ATOM 163 CB SER A 2 4.747 -3.462 1.654 1.00 0.00 C ATOM 164 OG SER A 2 6.111 -3.403 1.277 1.00 0.00 O ATOM 0 H SER A 2 5.253 -4.994 -0.646 1.00 0.00 H new ATOM 0 HA SER A 2 2.860 -4.094 0.844 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.424 -2.485 2.015 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.625 -4.163 2.480 1.00 0.00 H new ATOM 0 HG SER A 2 6.651 -3.124 2.046 1.00 0.00 H new ATOM 170 N ALA A 3 4.862 -2.614 -1.325 1.00 0.00 N ATOM 171 CA ALA A 3 4.917 -1.579 -2.350 1.00 0.00 C ATOM 172 C ALA A 3 4.027 -1.935 -3.537 1.00 0.00 C ATOM 173 O ALA A 3 3.431 -1.059 -4.164 1.00 0.00 O ATOM 174 CB ALA A 3 6.352 -1.367 -2.808 1.00 0.00 C ATOM 0 H ALA A 3 5.703 -3.188 -1.259 1.00 0.00 H new ATOM 0 HA ALA A 3 4.545 -0.651 -1.916 1.00 0.00 H new ATOM 0 HB1 ALA A 3 6.379 -0.592 -3.574 1.00 0.00 H new ATOM 0 HB2 ALA A 3 6.963 -1.060 -1.959 1.00 0.00 H new ATOM 0 HB3 ALA A 3 6.744 -2.297 -3.220 1.00 0.00 H new ATOM 180 N GLY A 4 3.943 -3.226 -3.840 1.00 0.00 N ATOM 181 CA GLY A 4 3.123 -3.675 -4.950 1.00 0.00 C ATOM 182 C GLY A 4 1.640 -3.602 -4.644 1.00 0.00 C ATOM 183 O GLY A 4 0.819 -3.432 -5.546 1.00 0.00 O ATOM 0 H GLY A 4 4.428 -3.969 -3.337 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.340 -3.066 -5.827 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.389 -4.702 -5.201 1.00 0.00 H new ATOM 187 N THR A 5 1.295 -3.733 -3.366 1.00 0.00 N ATOM 188 CA THR A 5 -0.099 -3.681 -2.941 1.00 0.00 C ATOM 189 C THR A 5 -0.696 -2.299 -3.190 1.00 0.00 C ATOM 190 O THR A 5 -1.904 -2.159 -3.377 1.00 0.00 O ATOM 191 CB THR A 5 -0.214 -4.039 -1.458 1.00 0.00 C ATOM 192 OG1 THR A 5 0.720 -5.045 -1.111 1.00 0.00 O ATOM 193 CG2 THR A 5 -1.590 -4.535 -1.068 1.00 0.00 C ATOM 0 H THR A 5 1.962 -3.876 -2.608 1.00 0.00 H new ATOM 0 HA THR A 5 -0.659 -4.408 -3.529 1.00 0.00 H new ATOM 0 HB THR A 5 -0.013 -3.112 -0.920 1.00 0.00 H new ATOM 0 HG1 THR A 5 0.632 -5.259 -0.159 1.00 0.00 H new ATOM 0 HG21 THR A 5 -1.604 -4.771 -0.004 1.00 0.00 H new ATOM 0 HG22 THR A 5 -2.329 -3.761 -1.277 1.00 0.00 H new ATOM 0 HG23 THR A 5 -1.830 -5.430 -1.642 1.00 0.00 H new ATOM 201 N GLN A 6 0.158 -1.281 -3.188 1.00 0.00 N ATOM 202 CA GLN A 6 -0.285 0.090 -3.412 1.00 0.00 C ATOM 203 C GLN A 6 -0.971 0.231 -4.768 1.00 0.00 C ATOM 204 O GLN A 6 -1.889 1.035 -4.929 1.00 0.00 O ATOM 205 CB GLN A 6 0.903 1.051 -3.328 1.00 0.00 C ATOM 206 CG GLN A 6 0.521 2.510 -3.516 1.00 0.00 C ATOM 207 CD GLN A 6 0.065 3.165 -2.227 1.00 0.00 C ATOM 208 OE1 GLN A 6 0.451 2.747 -1.135 1.00 0.00 O ATOM 209 NE2 GLN A 6 -0.760 4.198 -2.349 1.00 0.00 N ATOM 0 H GLN A 6 1.161 -1.380 -3.034 1.00 0.00 H new ATOM 0 HA GLN A 6 -1.006 0.341 -2.634 1.00 0.00 H new ATOM 0 HB2 GLN A 6 1.387 0.933 -2.358 1.00 0.00 H new ATOM 0 HB3 GLN A 6 1.636 0.776 -4.086 1.00 0.00 H new ATOM 0 HG2 GLN A 6 1.376 3.057 -3.914 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -0.276 2.580 -4.256 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -1.053 4.510 -3.275 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -1.100 4.680 -1.517 1.00 0.00 H new ATOM 218 N GLU A 7 -0.515 -0.550 -5.740 1.00 0.00 N ATOM 219 CA GLU A 7 -1.078 -0.506 -7.086 1.00 0.00 C ATOM 220 C GLU A 7 -2.550 -0.917 -7.083 1.00 0.00 C ATOM 221 O GLU A 7 -3.387 -0.251 -7.691 1.00 0.00 O ATOM 222 CB GLU A 7 -0.283 -1.419 -8.023 1.00 0.00 C ATOM 223 CG GLU A 7 0.073 -0.766 -9.349 1.00 0.00 C ATOM 224 CD GLU A 7 1.449 -1.164 -9.844 1.00 0.00 C ATOM 225 OE1 GLU A 7 2.442 -0.569 -9.377 1.00 0.00 O ATOM 226 OE2 GLU A 7 1.534 -2.071 -10.699 1.00 0.00 O ATOM 0 H GLU A 7 0.243 -1.222 -5.622 1.00 0.00 H new ATOM 0 HA GLU A 7 -1.011 0.521 -7.444 1.00 0.00 H new ATOM 0 HB2 GLU A 7 0.634 -1.730 -7.523 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -0.863 -2.322 -8.216 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -0.671 -1.041 -10.096 1.00 0.00 H new ATOM 0 HG3 GLU A 7 0.030 0.318 -9.239 1.00 0.00 H new ATOM 233 N GLU A 8 -2.858 -2.016 -6.402 1.00 0.00 N ATOM 234 CA GLU A 8 -4.231 -2.507 -6.331 1.00 0.00 C ATOM 235 C GLU A 8 -5.129 -1.522 -5.591 1.00 0.00 C ATOM 236 O GLU A 8 -6.319 -1.412 -5.884 1.00 0.00 O ATOM 237 CB GLU A 8 -4.276 -3.880 -5.653 1.00 0.00 C ATOM 238 CG GLU A 8 -3.875 -3.858 -4.187 1.00 0.00 C ATOM 239 CD GLU A 8 -4.702 -4.807 -3.342 1.00 0.00 C ATOM 240 OE1 GLU A 8 -5.303 -5.741 -3.914 1.00 0.00 O ATOM 241 OE2 GLU A 8 -4.750 -4.617 -2.109 1.00 0.00 O ATOM 0 H GLU A 8 -2.179 -2.582 -5.893 1.00 0.00 H new ATOM 0 HA GLU A 8 -4.604 -2.607 -7.350 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -5.285 -4.283 -5.737 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -3.615 -4.561 -6.190 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -2.821 -4.123 -4.098 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -3.983 -2.845 -3.800 1.00 0.00 H new ATOM 248 N LEU A 9 -4.554 -0.808 -4.628 1.00 0.00 N ATOM 249 CA LEU A 9 -5.307 0.166 -3.847 1.00 0.00 C ATOM 250 C LEU A 9 -5.644 1.395 -4.686 1.00 0.00 C ATOM 251 O LEU A 9 -6.743 1.943 -4.589 1.00 0.00 O ATOM 252 CB LEU A 9 -4.510 0.581 -2.608 1.00 0.00 C ATOM 253 CG LEU A 9 -5.333 0.721 -1.326 1.00 0.00 C ATOM 254 CD1 LEU A 9 -6.510 1.658 -1.547 1.00 0.00 C ATOM 255 CD2 LEU A 9 -5.815 -0.642 -0.851 1.00 0.00 C ATOM 0 H LEU A 9 -3.570 -0.886 -4.370 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.240 -0.301 -3.531 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.723 -0.154 -2.438 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.019 1.533 -2.812 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.696 1.149 -0.552 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -7.084 1.745 -0.624 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -6.142 2.641 -1.840 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -7.149 1.260 -2.335 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.399 -0.524 0.062 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.436 -1.097 -1.622 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -4.956 -1.283 -0.652 1.00 0.00 H new ATOM 267 N LEU A 10 -4.693 1.824 -5.509 1.00 0.00 N ATOM 268 CA LEU A 10 -4.888 2.989 -6.364 1.00 0.00 C ATOM 269 C LEU A 10 -6.007 2.747 -7.373 1.00 0.00 C ATOM 270 O LEU A 10 -6.840 3.620 -7.612 1.00 0.00 O ATOM 271 CB LEU A 10 -3.589 3.334 -7.096 1.00 0.00 C ATOM 272 CG LEU A 10 -3.271 4.829 -7.180 1.00 0.00 C ATOM 273 CD1 LEU A 10 -1.767 5.055 -7.163 1.00 0.00 C ATOM 274 CD2 LEU A 10 -3.887 5.433 -8.433 1.00 0.00 C ATOM 0 H LEU A 10 -3.779 1.382 -5.602 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.174 3.828 -5.730 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -2.763 2.830 -6.595 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.642 2.932 -8.108 1.00 0.00 H new ATOM 0 HG LEU A 10 -3.703 5.324 -6.310 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -1.559 6.123 -7.223 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.349 4.656 -6.239 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.313 4.548 -8.015 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.652 6.496 -8.478 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -3.483 4.934 -9.314 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -4.969 5.302 -8.406 1.00 0.00 H new ATOM 286 N ARG A 11 -6.017 1.557 -7.965 1.00 0.00 N ATOM 287 CA ARG A 11 -7.033 1.202 -8.950 1.00 0.00 C ATOM 288 C ARG A 11 -8.414 1.125 -8.308 1.00 0.00 C ATOM 289 O ARG A 11 -9.412 1.518 -8.912 1.00 0.00 O ATOM 290 CB ARG A 11 -6.689 -0.134 -9.611 1.00 0.00 C ATOM 291 CG ARG A 11 -5.313 -0.159 -10.255 1.00 0.00 C ATOM 292 CD ARG A 11 -5.241 0.774 -11.452 1.00 0.00 C ATOM 293 NE ARG A 11 -3.872 1.203 -11.729 1.00 0.00 N ATOM 294 CZ ARG A 11 -3.564 2.283 -12.446 1.00 0.00 C ATOM 295 NH1 ARG A 11 -4.522 3.044 -12.960 1.00 0.00 N ATOM 296 NH2 ARG A 11 -2.292 2.603 -12.649 1.00 0.00 N ATOM 0 H ARG A 11 -5.334 0.823 -7.780 1.00 0.00 H new ATOM 0 HA ARG A 11 -7.051 1.982 -9.711 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -6.745 -0.925 -8.863 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -7.440 -0.359 -10.369 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -4.561 0.131 -9.521 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -5.076 -1.175 -10.570 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -5.648 0.271 -12.329 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -5.865 1.649 -11.268 1.00 0.00 H new ATOM 0 HE ARG A 11 -3.108 0.643 -11.351 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -5.501 2.804 -12.807 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -4.279 3.869 -13.508 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -1.551 2.022 -12.256 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -2.055 3.430 -13.198 1.00 0.00 H new ATOM 310 N TRP A 12 -8.466 0.614 -7.083 1.00 0.00 N ATOM 311 CA TRP A 12 -9.726 0.483 -6.361 1.00 0.00 C ATOM 312 C TRP A 12 -10.354 1.849 -6.104 1.00 0.00 C ATOM 313 O TRP A 12 -11.570 2.014 -6.207 1.00 0.00 O ATOM 314 CB TRP A 12 -9.508 -0.247 -5.036 1.00 0.00 C ATOM 315 CG TRP A 12 -10.781 -0.544 -4.305 1.00 0.00 C ATOM 316 CD1 TRP A 12 -11.582 -1.638 -4.467 1.00 0.00 C ATOM 317 CD2 TRP A 12 -11.402 0.266 -3.299 1.00 0.00 C ATOM 318 NE1 TRP A 12 -12.663 -1.559 -3.621 1.00 0.00 N ATOM 319 CE2 TRP A 12 -12.574 -0.401 -2.895 1.00 0.00 C ATOM 320 CE3 TRP A 12 -11.080 1.486 -2.702 1.00 0.00 C ATOM 321 CZ2 TRP A 12 -13.425 0.115 -1.920 1.00 0.00 C ATOM 322 CZ3 TRP A 12 -11.925 1.998 -1.734 1.00 0.00 C ATOM 323 CH2 TRP A 12 -13.084 1.312 -1.352 1.00 0.00 C ATOM 0 H TRP A 12 -7.649 0.283 -6.569 1.00 0.00 H new ATOM 0 HA TRP A 12 -10.408 -0.099 -6.980 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -8.981 -1.182 -5.227 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -8.864 0.358 -4.398 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -11.394 -2.446 -5.158 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -13.409 -2.250 -3.546 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -10.187 2.021 -2.991 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -14.321 -0.411 -1.624 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -11.687 2.942 -1.266 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -13.723 1.737 -0.592 1.00 0.00 H new ATOM 334 N CYS A 13 -9.519 2.828 -5.768 1.00 0.00 N ATOM 335 CA CYS A 13 -9.999 4.177 -5.496 1.00 0.00 C ATOM 336 C CYS A 13 -10.561 4.821 -6.760 1.00 0.00 C ATOM 337 O CYS A 13 -11.630 5.428 -6.735 1.00 0.00 O ATOM 338 CB CYS A 13 -8.867 5.038 -4.931 1.00 0.00 C ATOM 339 SG CYS A 13 -9.430 6.535 -4.086 1.00 0.00 S ATOM 0 H CYS A 13 -8.510 2.712 -5.678 1.00 0.00 H new ATOM 0 HA CYS A 13 -10.799 4.110 -4.759 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -8.282 4.438 -4.234 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -8.200 5.322 -5.745 1.00 0.00 H new ATOM 0 HG CYS A 13 -9.081 6.485 -2.835 1.00 0.00 H new ATOM 345 N GLN A 14 -9.830 4.685 -7.861 1.00 0.00 N ATOM 346 CA GLN A 14 -10.256 5.254 -9.135 1.00 0.00 C ATOM 347 C GLN A 14 -11.543 4.596 -9.622 1.00 0.00 C ATOM 348 O GLN A 14 -12.419 5.260 -10.177 1.00 0.00 O ATOM 349 CB GLN A 14 -9.156 5.092 -10.185 1.00 0.00 C ATOM 350 CG GLN A 14 -9.513 5.688 -11.536 1.00 0.00 C ATOM 351 CD GLN A 14 -8.394 5.546 -12.549 1.00 0.00 C ATOM 352 OE1 GLN A 14 -7.414 6.291 -12.518 1.00 0.00 O ATOM 353 NE2 GLN A 14 -8.535 4.586 -13.456 1.00 0.00 N ATOM 0 H GLN A 14 -8.941 4.186 -7.897 1.00 0.00 H new ATOM 0 HA GLN A 14 -10.448 6.316 -8.983 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -8.244 5.563 -9.819 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -8.939 4.031 -10.311 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -10.409 5.200 -11.919 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -9.754 6.744 -11.411 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -9.364 3.991 -13.445 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -7.815 4.443 -14.164 1.00 0.00 H new ATOM 362 N GLU A 15 -11.652 3.288 -9.408 1.00 0.00 N ATOM 363 CA GLU A 15 -12.834 2.544 -9.825 1.00 0.00 C ATOM 364 C GLU A 15 -14.060 2.985 -9.029 1.00 0.00 C ATOM 365 O GLU A 15 -15.131 3.210 -9.590 1.00 0.00 O ATOM 366 CB GLU A 15 -12.608 1.042 -9.644 1.00 0.00 C ATOM 367 CG GLU A 15 -13.342 0.190 -10.667 1.00 0.00 C ATOM 368 CD GLU A 15 -14.847 0.331 -10.573 1.00 0.00 C ATOM 369 OE1 GLU A 15 -15.394 1.279 -11.174 1.00 0.00 O ATOM 370 OE2 GLU A 15 -15.481 -0.505 -9.895 1.00 0.00 O ATOM 0 H GLU A 15 -10.937 2.723 -8.949 1.00 0.00 H new ATOM 0 HA GLU A 15 -13.011 2.752 -10.880 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -11.540 0.833 -9.708 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -12.930 0.752 -8.644 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -13.017 0.471 -11.669 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -13.070 -0.856 -10.525 1.00 0.00 H new ATOM 377 N GLN A 16 -13.890 3.107 -7.715 1.00 0.00 N ATOM 378 CA GLN A 16 -14.979 3.521 -6.838 1.00 0.00 C ATOM 379 C GLN A 16 -15.358 4.977 -7.092 1.00 0.00 C ATOM 380 O GLN A 16 -16.527 5.351 -6.993 1.00 0.00 O ATOM 381 CB GLN A 16 -14.581 3.328 -5.374 1.00 0.00 C ATOM 382 CG GLN A 16 -15.548 2.454 -4.590 1.00 0.00 C ATOM 383 CD GLN A 16 -15.445 0.989 -4.967 1.00 0.00 C ATOM 384 OE1 GLN A 16 -15.162 0.651 -6.115 1.00 0.00 O ATOM 385 NE2 GLN A 16 -15.677 0.111 -3.998 1.00 0.00 N ATOM 0 H GLN A 16 -13.008 2.925 -7.235 1.00 0.00 H new ATOM 0 HA GLN A 16 -15.847 2.898 -7.055 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -13.587 2.883 -5.332 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -14.514 4.304 -4.893 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -15.351 2.566 -3.524 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -16.567 2.799 -4.764 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -15.909 0.437 -3.060 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -15.624 -0.889 -4.192 1.00 0.00 H new ATOM 394 N THR A 17 -14.362 5.794 -7.418 1.00 0.00 N ATOM 395 CA THR A 17 -14.588 7.209 -7.686 1.00 0.00 C ATOM 396 C THR A 17 -14.926 7.451 -9.157 1.00 0.00 C ATOM 397 O THR A 17 -15.015 8.596 -9.601 1.00 0.00 O ATOM 398 CB THR A 17 -13.353 8.024 -7.297 1.00 0.00 C ATOM 399 OG1 THR A 17 -13.009 7.798 -5.942 1.00 0.00 O ATOM 400 CG2 THR A 17 -13.535 9.515 -7.483 1.00 0.00 C ATOM 0 H THR A 17 -13.389 5.500 -7.503 1.00 0.00 H new ATOM 0 HA THR A 17 -15.438 7.530 -7.084 1.00 0.00 H new ATOM 0 HB THR A 17 -12.562 7.686 -7.967 1.00 0.00 H new ATOM 0 HG1 THR A 17 -12.481 6.975 -5.871 1.00 0.00 H new ATOM 0 HG21 THR A 17 -12.622 10.033 -7.189 1.00 0.00 H new ATOM 0 HG22 THR A 17 -13.751 9.727 -8.530 1.00 0.00 H new ATOM 0 HG23 THR A 17 -14.363 9.860 -6.864 1.00 0.00 H new ATOM 408 N ALA A 18 -15.114 6.371 -9.911 1.00 0.00 N ATOM 409 CA ALA A 18 -15.442 6.477 -11.328 1.00 0.00 C ATOM 410 C ALA A 18 -16.922 6.783 -11.527 1.00 0.00 C ATOM 411 O ALA A 18 -17.765 6.369 -10.732 1.00 0.00 O ATOM 412 CB ALA A 18 -15.067 5.193 -12.052 1.00 0.00 C ATOM 0 H ALA A 18 -15.045 5.414 -9.564 1.00 0.00 H new ATOM 0 HA ALA A 18 -14.867 7.302 -11.749 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -15.317 5.285 -13.109 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -13.997 5.015 -11.946 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -15.618 4.358 -11.620 1.00 0.00 H new ATOM 418 N GLY A 19 -17.232 7.512 -12.594 1.00 0.00 N ATOM 419 CA GLY A 19 -18.611 7.863 -12.881 1.00 0.00 C ATOM 420 C GLY A 19 -18.851 9.360 -12.844 1.00 0.00 C ATOM 421 O GLY A 19 -19.710 9.874 -13.559 1.00 0.00 O ATOM 0 H GLY A 19 -16.552 7.867 -13.266 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -18.883 7.479 -13.864 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -19.264 7.376 -12.157 1.00 0.00 H new ATOM 425 N TYR A 20 -18.089 10.059 -12.009 1.00 0.00 N ATOM 426 CA TYR A 20 -18.223 11.506 -11.884 1.00 0.00 C ATOM 427 C TYR A 20 -17.382 12.222 -12.941 1.00 0.00 C ATOM 428 O TYR A 20 -16.166 12.038 -13.003 1.00 0.00 O ATOM 429 CB TYR A 20 -17.799 11.959 -10.485 1.00 0.00 C ATOM 430 CG TYR A 20 -18.416 11.145 -9.369 1.00 0.00 C ATOM 431 CD1 TYR A 20 -17.894 9.908 -9.017 1.00 0.00 C ATOM 432 CD2 TYR A 20 -19.520 11.615 -8.668 1.00 0.00 C ATOM 433 CE1 TYR A 20 -18.454 9.160 -7.999 1.00 0.00 C ATOM 434 CE2 TYR A 20 -20.086 10.874 -7.648 1.00 0.00 C ATOM 435 CZ TYR A 20 -19.549 9.647 -7.317 1.00 0.00 C ATOM 436 OH TYR A 20 -20.110 8.905 -6.303 1.00 0.00 O ATOM 0 H TYR A 20 -17.373 9.648 -11.410 1.00 0.00 H new ATOM 0 HA TYR A 20 -19.270 11.765 -12.040 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -16.713 11.901 -10.408 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -18.073 13.006 -10.353 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -17.036 9.524 -9.548 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -19.943 12.575 -8.925 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -18.036 8.199 -7.739 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -20.944 11.253 -7.113 1.00 0.00 H new ATOM 0 HH TYR A 20 -19.400 8.483 -5.775 1.00 0.00 H new ATOM 446 N PRO A 21 -18.017 13.050 -13.793 1.00 0.00 N ATOM 447 CA PRO A 21 -17.312 13.786 -14.846 1.00 0.00 C ATOM 448 C PRO A 21 -16.510 14.962 -14.298 1.00 0.00 C ATOM 449 O PRO A 21 -17.064 15.869 -13.678 1.00 0.00 O ATOM 450 CB PRO A 21 -18.445 14.284 -15.743 1.00 0.00 C ATOM 451 CG PRO A 21 -19.610 14.425 -14.826 1.00 0.00 C ATOM 452 CD PRO A 21 -19.467 13.334 -13.799 1.00 0.00 C ATOM 0 HA PRO A 21 -16.581 13.162 -15.361 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -18.192 15.235 -16.212 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -18.655 13.578 -16.546 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -19.617 15.407 -14.353 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -20.549 14.327 -15.371 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -19.816 13.658 -12.819 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -20.047 12.451 -14.068 1.00 0.00 H new ATOM 460 N GLY A 22 -15.202 14.941 -14.533 1.00 0.00 N ATOM 461 CA GLY A 22 -14.346 16.011 -14.060 1.00 0.00 C ATOM 462 C GLY A 22 -13.487 15.583 -12.888 1.00 0.00 C ATOM 463 O GLY A 22 -12.394 16.113 -12.687 1.00 0.00 O ATOM 0 H GLY A 22 -14.720 14.201 -15.043 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -13.704 16.347 -14.874 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -14.960 16.862 -13.766 1.00 0.00 H new ATOM 467 N VAL A 23 -13.981 14.622 -12.116 1.00 0.00 N ATOM 468 CA VAL A 23 -13.248 14.126 -10.961 1.00 0.00 C ATOM 469 C VAL A 23 -12.147 13.162 -11.385 1.00 0.00 C ATOM 470 O VAL A 23 -12.412 12.130 -11.999 1.00 0.00 O ATOM 471 CB VAL A 23 -14.180 13.414 -9.965 1.00 0.00 C ATOM 472 CG1 VAL A 23 -13.437 13.080 -8.680 1.00 0.00 C ATOM 473 CG2 VAL A 23 -15.405 14.267 -9.671 1.00 0.00 C ATOM 0 H VAL A 23 -14.884 14.173 -12.270 1.00 0.00 H new ATOM 0 HA VAL A 23 -12.803 14.993 -10.473 1.00 0.00 H new ATOM 0 HB VAL A 23 -14.515 12.481 -10.418 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -14.113 12.577 -7.989 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -12.596 12.425 -8.906 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -13.069 13.999 -8.223 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -16.051 13.745 -8.965 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -15.091 15.218 -9.241 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -15.952 14.449 -10.596 1.00 0.00 H new ATOM 483 N HIS A 24 -10.911 13.509 -11.046 1.00 0.00 N ATOM 484 CA HIS A 24 -9.762 12.677 -11.382 1.00 0.00 C ATOM 485 C HIS A 24 -9.248 11.942 -10.148 1.00 0.00 C ATOM 486 O HIS A 24 -9.198 12.507 -9.055 1.00 0.00 O ATOM 487 CB HIS A 24 -8.646 13.533 -11.984 1.00 0.00 C ATOM 488 CG HIS A 24 -8.939 14.006 -13.373 1.00 0.00 C ATOM 489 ND1 HIS A 24 -8.616 15.270 -13.822 1.00 0.00 N ATOM 490 CD2 HIS A 24 -9.529 13.378 -14.420 1.00 0.00 C ATOM 491 CE1 HIS A 24 -8.996 15.399 -15.083 1.00 0.00 C ATOM 492 NE2 HIS A 24 -9.551 14.264 -15.467 1.00 0.00 N ATOM 0 H HIS A 24 -10.679 14.362 -10.538 1.00 0.00 H new ATOM 0 HA HIS A 24 -10.079 11.938 -12.118 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -8.476 14.398 -11.343 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -7.721 12.956 -11.993 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -9.911 12.368 -14.428 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -8.873 16.281 -15.693 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -9.934 14.076 -16.393 1.00 0.00 H new ATOM 501 N VAL A 25 -8.872 10.682 -10.330 1.00 0.00 N ATOM 502 CA VAL A 25 -8.367 9.871 -9.226 1.00 0.00 C ATOM 503 C VAL A 25 -7.017 9.250 -9.568 1.00 0.00 C ATOM 504 O VAL A 25 -6.949 8.135 -10.084 1.00 0.00 O ATOM 505 CB VAL A 25 -9.354 8.747 -8.857 1.00 0.00 C ATOM 506 CG1 VAL A 25 -8.905 8.036 -7.590 1.00 0.00 C ATOM 507 CG2 VAL A 25 -10.762 9.303 -8.695 1.00 0.00 C ATOM 0 H VAL A 25 -8.906 10.200 -11.228 1.00 0.00 H new ATOM 0 HA VAL A 25 -8.251 10.540 -8.373 1.00 0.00 H new ATOM 0 HB VAL A 25 -9.367 8.020 -9.669 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -9.615 7.246 -7.345 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.918 7.602 -7.747 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -8.860 8.751 -6.768 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -11.445 8.494 -8.435 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -10.768 10.052 -7.904 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -11.082 9.761 -9.631 1.00 0.00 H new ATOM 517 N SER A 26 -5.945 9.976 -9.269 1.00 0.00 N ATOM 518 CA SER A 26 -4.595 9.492 -9.538 1.00 0.00 C ATOM 519 C SER A 26 -3.590 10.105 -8.566 1.00 0.00 C ATOM 520 O SER A 26 -2.393 10.152 -8.844 1.00 0.00 O ATOM 521 CB SER A 26 -4.192 9.812 -10.978 1.00 0.00 C ATOM 522 OG SER A 26 -4.450 8.715 -11.837 1.00 0.00 O ATOM 0 H SER A 26 -5.984 10.901 -8.841 1.00 0.00 H new ATOM 0 HA SER A 26 -4.591 8.411 -9.400 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.741 10.687 -11.326 1.00 0.00 H new ATOM 0 HB3 SER A 26 -3.132 10.065 -11.014 1.00 0.00 H new ATOM 0 HG SER A 26 -5.261 8.252 -11.541 1.00 0.00 H new ATOM 528 N ASP A 27 -4.085 10.570 -7.423 1.00 0.00 N ATOM 529 CA ASP A 27 -3.230 11.175 -6.409 1.00 0.00 C ATOM 530 C ASP A 27 -3.635 10.712 -5.013 1.00 0.00 C ATOM 531 O ASP A 27 -4.822 10.652 -4.690 1.00 0.00 O ATOM 532 CB ASP A 27 -3.299 12.700 -6.494 1.00 0.00 C ATOM 533 CG ASP A 27 -3.042 13.212 -7.897 1.00 0.00 C ATOM 534 OD1 ASP A 27 -2.087 12.729 -8.541 1.00 0.00 O ATOM 535 OD2 ASP A 27 -3.799 14.096 -8.354 1.00 0.00 O ATOM 0 H ASP A 27 -5.074 10.539 -7.176 1.00 0.00 H new ATOM 0 HA ASP A 27 -2.205 10.856 -6.596 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -4.281 13.036 -6.162 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -2.567 13.133 -5.812 1.00 0.00 H new ATOM 540 N LEU A 28 -2.646 10.383 -4.191 1.00 0.00 N ATOM 541 CA LEU A 28 -2.905 9.923 -2.832 1.00 0.00 C ATOM 542 C LEU A 28 -2.781 11.070 -1.834 1.00 0.00 C ATOM 543 O LEU A 28 -2.284 10.889 -0.723 1.00 0.00 O ATOM 544 CB LEU A 28 -1.933 8.801 -2.461 1.00 0.00 C ATOM 545 CG LEU A 28 -2.383 7.397 -2.869 1.00 0.00 C ATOM 546 CD1 LEU A 28 -3.580 6.957 -2.038 1.00 0.00 C ATOM 547 CD2 LEU A 28 -2.715 7.353 -4.351 1.00 0.00 C ATOM 0 H LEU A 28 -1.658 10.426 -4.441 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.925 9.542 -2.792 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.969 9.007 -2.926 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.777 8.817 -1.382 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.562 6.705 -2.681 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.886 5.956 -2.342 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.307 6.948 -0.983 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -4.406 7.652 -2.193 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.033 6.347 -4.623 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.519 8.058 -4.565 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.832 7.623 -4.930 1.00 0.00 H new ATOM 559 N SER A 29 -3.237 12.252 -2.238 1.00 0.00 N ATOM 560 CA SER A 29 -3.179 13.428 -1.377 1.00 0.00 C ATOM 561 C SER A 29 -4.047 14.555 -1.930 1.00 0.00 C ATOM 562 O SER A 29 -5.090 14.883 -1.363 1.00 0.00 O ATOM 563 CB SER A 29 -1.734 13.908 -1.232 1.00 0.00 C ATOM 564 OG SER A 29 -1.054 13.182 -0.224 1.00 0.00 O ATOM 0 H SER A 29 -3.650 12.420 -3.155 1.00 0.00 H new ATOM 0 HA SER A 29 -3.563 13.147 -0.397 1.00 0.00 H new ATOM 0 HB2 SER A 29 -1.212 13.793 -2.182 1.00 0.00 H new ATOM 0 HB3 SER A 29 -1.723 14.971 -0.989 1.00 0.00 H new ATOM 0 HG SER A 29 -1.548 12.360 -0.023 1.00 0.00 H new ATOM 570 N SER A 30 -3.609 15.146 -3.036 1.00 0.00 N ATOM 571 CA SER A 30 -4.342 16.240 -3.664 1.00 0.00 C ATOM 572 C SER A 30 -5.762 15.816 -4.028 1.00 0.00 C ATOM 573 O SER A 30 -6.714 16.572 -3.836 1.00 0.00 O ATOM 574 CB SER A 30 -3.606 16.720 -4.917 1.00 0.00 C ATOM 575 OG SER A 30 -3.852 18.095 -5.157 1.00 0.00 O ATOM 0 H SER A 30 -2.748 14.885 -3.517 1.00 0.00 H new ATOM 0 HA SER A 30 -4.402 17.058 -2.946 1.00 0.00 H new ATOM 0 HB2 SER A 30 -2.535 16.554 -4.800 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.927 16.134 -5.778 1.00 0.00 H new ATOM 0 HG SER A 30 -3.370 18.378 -5.962 1.00 0.00 H new ATOM 581 N SER A 31 -5.896 14.606 -4.559 1.00 0.00 N ATOM 582 CA SER A 31 -7.201 14.082 -4.956 1.00 0.00 C ATOM 583 C SER A 31 -8.187 14.107 -3.788 1.00 0.00 C ATOM 584 O SER A 31 -9.401 14.141 -3.993 1.00 0.00 O ATOM 585 CB SER A 31 -7.059 12.655 -5.491 1.00 0.00 C ATOM 586 OG SER A 31 -7.537 12.559 -6.822 1.00 0.00 O ATOM 0 H SER A 31 -5.118 13.968 -4.725 1.00 0.00 H new ATOM 0 HA SER A 31 -7.593 14.723 -5.745 1.00 0.00 H new ATOM 0 HB2 SER A 31 -6.013 12.352 -5.454 1.00 0.00 H new ATOM 0 HB3 SER A 31 -7.613 11.967 -4.852 1.00 0.00 H new ATOM 0 HG SER A 31 -8.507 12.696 -6.832 1.00 0.00 H new ATOM 592 N TRP A 32 -7.661 14.088 -2.567 1.00 0.00 N ATOM 593 CA TRP A 32 -8.503 14.105 -1.373 1.00 0.00 C ATOM 594 C TRP A 32 -8.613 15.510 -0.782 1.00 0.00 C ATOM 595 O TRP A 32 -9.257 15.707 0.248 1.00 0.00 O ATOM 596 CB TRP A 32 -7.948 13.141 -0.325 1.00 0.00 C ATOM 597 CG TRP A 32 -7.673 11.771 -0.865 1.00 0.00 C ATOM 598 CD1 TRP A 32 -6.683 11.417 -1.735 1.00 0.00 C ATOM 599 CD2 TRP A 32 -8.400 10.571 -0.574 1.00 0.00 C ATOM 600 NE1 TRP A 32 -6.747 10.070 -2.001 1.00 0.00 N ATOM 601 CE2 TRP A 32 -7.793 9.530 -1.301 1.00 0.00 C ATOM 602 CE3 TRP A 32 -9.503 10.278 0.233 1.00 0.00 C ATOM 603 CZ2 TRP A 32 -8.253 8.216 -1.245 1.00 0.00 C ATOM 604 CZ3 TRP A 32 -9.959 8.973 0.287 1.00 0.00 C ATOM 605 CH2 TRP A 32 -9.335 7.957 -0.448 1.00 0.00 C ATOM 0 H TRP A 32 -6.659 14.061 -2.377 1.00 0.00 H new ATOM 0 HA TRP A 32 -9.503 13.786 -1.667 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -7.026 13.554 0.086 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -8.658 13.063 0.499 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -5.955 12.096 -2.154 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -6.118 9.557 -2.619 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -9.990 11.055 0.803 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -7.773 7.430 -1.810 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -10.811 8.734 0.906 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -9.716 6.948 -0.384 1.00 0.00 H new ATOM 616 N ALA A 33 -7.984 16.487 -1.435 1.00 0.00 N ATOM 617 CA ALA A 33 -8.018 17.869 -0.964 1.00 0.00 C ATOM 618 C ALA A 33 -9.453 18.357 -0.782 1.00 0.00 C ATOM 619 O ALA A 33 -9.852 18.738 0.318 1.00 0.00 O ATOM 620 CB ALA A 33 -7.270 18.773 -1.931 1.00 0.00 C ATOM 0 H ALA A 33 -7.446 16.346 -2.290 1.00 0.00 H new ATOM 0 HA ALA A 33 -7.526 17.906 0.008 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -7.303 19.800 -1.568 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -6.232 18.447 -2.005 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -7.738 18.720 -2.914 1.00 0.00 H new ATOM 626 N ASP A 34 -10.225 18.341 -1.865 1.00 0.00 N ATOM 627 CA ASP A 34 -11.615 18.783 -1.816 1.00 0.00 C ATOM 628 C ASP A 34 -12.522 17.696 -1.238 1.00 0.00 C ATOM 629 O ASP A 34 -13.722 17.909 -1.064 1.00 0.00 O ATOM 630 CB ASP A 34 -12.098 19.177 -3.214 1.00 0.00 C ATOM 631 CG ASP A 34 -11.865 18.084 -4.238 1.00 0.00 C ATOM 632 OD1 ASP A 34 -11.684 16.918 -3.831 1.00 0.00 O ATOM 633 OD2 ASP A 34 -11.861 18.395 -5.448 1.00 0.00 O ATOM 0 H ASP A 34 -9.913 18.028 -2.784 1.00 0.00 H new ATOM 0 HA ASP A 34 -11.665 19.653 -1.161 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -13.161 19.413 -3.174 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -11.582 20.083 -3.531 1.00 0.00 H new ATOM 638 N GLY A 35 -11.945 16.535 -0.937 1.00 0.00 N ATOM 639 CA GLY A 35 -12.723 15.444 -0.379 1.00 0.00 C ATOM 640 C GLY A 35 -13.574 14.743 -1.419 1.00 0.00 C ATOM 641 O GLY A 35 -14.612 14.168 -1.094 1.00 0.00 O ATOM 0 H GLY A 35 -10.954 16.332 -1.070 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -12.050 14.721 0.081 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -13.366 15.829 0.412 1.00 0.00 H new ATOM 645 N LEU A 36 -13.134 14.790 -2.673 1.00 0.00 N ATOM 646 CA LEU A 36 -13.867 14.156 -3.763 1.00 0.00 C ATOM 647 C LEU A 36 -13.844 12.636 -3.625 1.00 0.00 C ATOM 648 O LEU A 36 -14.854 11.968 -3.853 1.00 0.00 O ATOM 649 CB LEU A 36 -13.273 14.572 -5.112 1.00 0.00 C ATOM 650 CG LEU A 36 -14.113 15.577 -5.904 1.00 0.00 C ATOM 651 CD1 LEU A 36 -15.380 14.916 -6.426 1.00 0.00 C ATOM 652 CD2 LEU A 36 -14.454 16.787 -5.043 1.00 0.00 C ATOM 0 H LEU A 36 -12.275 15.260 -2.959 1.00 0.00 H new ATOM 0 HA LEU A 36 -14.904 14.488 -3.714 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -12.286 15.001 -4.941 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -13.132 13.679 -5.721 1.00 0.00 H new ATOM 0 HG LEU A 36 -13.527 15.920 -6.757 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -15.966 15.644 -6.987 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -15.114 14.084 -7.078 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -15.969 14.545 -5.587 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -15.051 17.490 -5.624 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -15.021 16.464 -4.170 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -13.534 17.274 -4.719 1.00 0.00 H new ATOM 664 N ALA A 37 -12.689 12.093 -3.254 1.00 0.00 N ATOM 665 CA ALA A 37 -12.538 10.653 -3.091 1.00 0.00 C ATOM 666 C ALA A 37 -13.495 10.113 -2.031 1.00 0.00 C ATOM 667 O ALA A 37 -14.173 9.107 -2.247 1.00 0.00 O ATOM 668 CB ALA A 37 -11.101 10.311 -2.727 1.00 0.00 C ATOM 0 H ALA A 37 -11.844 12.630 -3.061 1.00 0.00 H new ATOM 0 HA ALA A 37 -12.786 10.179 -4.041 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -11.003 9.232 -2.608 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -10.434 10.651 -3.519 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -10.835 10.805 -1.792 1.00 0.00 H new ATOM 674 N LEU A 38 -13.543 10.786 -0.886 1.00 0.00 N ATOM 675 CA LEU A 38 -14.415 10.372 0.206 1.00 0.00 C ATOM 676 C LEU A 38 -15.883 10.542 -0.171 1.00 0.00 C ATOM 677 O LEU A 38 -16.700 9.651 0.055 1.00 0.00 O ATOM 678 CB LEU A 38 -14.103 11.180 1.468 1.00 0.00 C ATOM 679 CG LEU A 38 -12.632 11.183 1.889 1.00 0.00 C ATOM 680 CD1 LEU A 38 -12.243 12.538 2.460 1.00 0.00 C ATOM 681 CD2 LEU A 38 -12.367 10.079 2.902 1.00 0.00 C ATOM 0 H LEU A 38 -12.989 11.620 -0.691 1.00 0.00 H new ATOM 0 HA LEU A 38 -14.232 9.316 0.403 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -14.422 12.210 1.309 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -14.700 10.785 2.290 1.00 0.00 H new ATOM 0 HG LEU A 38 -12.020 10.995 1.007 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -11.194 12.521 2.754 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -12.396 13.309 1.705 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -12.860 12.756 3.331 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -11.316 10.095 3.191 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -12.988 10.237 3.784 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -12.607 9.113 2.458 1.00 0.00 H new ATOM 693 N CYS A 39 -16.209 11.694 -0.747 1.00 0.00 N ATOM 694 CA CYS A 39 -17.578 11.985 -1.155 1.00 0.00 C ATOM 695 C CYS A 39 -18.058 10.988 -2.205 1.00 0.00 C ATOM 696 O CYS A 39 -19.170 10.466 -2.119 1.00 0.00 O ATOM 697 CB CYS A 39 -17.674 13.412 -1.702 1.00 0.00 C ATOM 698 SG CYS A 39 -18.740 14.503 -0.731 1.00 0.00 S ATOM 0 H CYS A 39 -15.543 12.442 -0.942 1.00 0.00 H new ATOM 0 HA CYS A 39 -18.221 11.895 -0.279 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -16.673 13.842 -1.744 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -18.047 13.373 -2.725 1.00 0.00 H new ATOM 0 HG CYS A 39 -18.593 15.729 -1.138 1.00 0.00 H new ATOM 704 N ALA A 40 -17.213 10.729 -3.199 1.00 0.00 N ATOM 705 CA ALA A 40 -17.548 9.797 -4.268 1.00 0.00 C ATOM 706 C ALA A 40 -17.905 8.420 -3.711 1.00 0.00 C ATOM 707 O ALA A 40 -18.856 7.784 -4.165 1.00 0.00 O ATOM 708 CB ALA A 40 -16.392 9.686 -5.250 1.00 0.00 C ATOM 0 H ALA A 40 -16.289 11.153 -3.285 1.00 0.00 H new ATOM 0 HA ALA A 40 -18.422 10.184 -4.791 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -16.655 8.987 -6.044 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -16.187 10.665 -5.682 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -15.505 9.326 -4.729 1.00 0.00 H new ATOM 714 N LEU A 41 -17.134 7.966 -2.729 1.00 0.00 N ATOM 715 CA LEU A 41 -17.368 6.664 -2.113 1.00 0.00 C ATOM 716 C LEU A 41 -18.741 6.609 -1.449 1.00 0.00 C ATOM 717 O LEU A 41 -19.529 5.698 -1.706 1.00 0.00 O ATOM 718 CB LEU A 41 -16.279 6.361 -1.082 1.00 0.00 C ATOM 719 CG LEU A 41 -14.891 6.086 -1.664 1.00 0.00 C ATOM 720 CD1 LEU A 41 -13.811 6.438 -0.654 1.00 0.00 C ATOM 721 CD2 LEU A 41 -14.771 4.631 -2.089 1.00 0.00 C ATOM 0 H LEU A 41 -16.342 8.479 -2.342 1.00 0.00 H new ATOM 0 HA LEU A 41 -17.336 5.910 -2.900 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -16.207 7.204 -0.395 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -16.587 5.496 -0.495 1.00 0.00 H new ATOM 0 HG LEU A 41 -14.756 6.714 -2.545 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -12.830 6.236 -1.085 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -13.884 7.495 -0.397 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -13.943 5.836 0.245 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -13.778 4.453 -2.501 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -14.927 3.985 -1.225 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -15.523 4.410 -2.847 1.00 0.00 H new ATOM 733 N VAL A 42 -19.020 7.587 -0.593 1.00 0.00 N ATOM 734 CA VAL A 42 -20.296 7.647 0.108 1.00 0.00 C ATOM 735 C VAL A 42 -21.456 7.782 -0.873 1.00 0.00 C ATOM 736 O VAL A 42 -22.439 7.046 -0.792 1.00 0.00 O ATOM 737 CB VAL A 42 -20.338 8.824 1.102 1.00 0.00 C ATOM 738 CG1 VAL A 42 -21.629 8.801 1.910 1.00 0.00 C ATOM 739 CG2 VAL A 42 -19.128 8.790 2.026 1.00 0.00 C ATOM 0 H VAL A 42 -18.379 8.348 -0.369 1.00 0.00 H new ATOM 0 HA VAL A 42 -20.397 6.713 0.660 1.00 0.00 H new ATOM 0 HB VAL A 42 -20.308 9.752 0.532 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -21.638 9.640 2.605 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -22.482 8.879 1.236 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -21.692 7.867 2.468 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -19.176 9.629 2.720 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -19.124 7.855 2.587 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -18.216 8.861 1.434 1.00 0.00 H new ATOM 749 N TYR A 43 -21.334 8.727 -1.799 1.00 0.00 N ATOM 750 CA TYR A 43 -22.372 8.959 -2.799 1.00 0.00 C ATOM 751 C TYR A 43 -22.666 7.689 -3.589 1.00 0.00 C ATOM 752 O TYR A 43 -23.815 7.411 -3.933 1.00 0.00 O ATOM 753 CB TYR A 43 -21.950 10.079 -3.749 1.00 0.00 C ATOM 754 CG TYR A 43 -23.046 10.520 -4.693 1.00 0.00 C ATOM 755 CD1 TYR A 43 -24.055 11.375 -4.265 1.00 0.00 C ATOM 756 CD2 TYR A 43 -23.073 10.081 -6.011 1.00 0.00 C ATOM 757 CE1 TYR A 43 -25.058 11.779 -5.123 1.00 0.00 C ATOM 758 CE2 TYR A 43 -24.075 10.483 -6.876 1.00 0.00 C ATOM 759 CZ TYR A 43 -25.064 11.333 -6.427 1.00 0.00 C ATOM 760 OH TYR A 43 -26.063 11.734 -7.284 1.00 0.00 O ATOM 0 H TYR A 43 -20.527 9.345 -1.879 1.00 0.00 H new ATOM 0 HA TYR A 43 -23.282 9.256 -2.278 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -21.621 10.937 -3.162 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -21.092 9.745 -4.333 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -24.054 11.729 -3.245 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -22.300 9.416 -6.366 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -25.835 12.442 -4.774 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -24.083 10.133 -7.898 1.00 0.00 H new ATOM 0 HH TYR A 43 -25.919 11.331 -8.166 1.00 0.00 H new ATOM 770 N ARG A 44 -21.620 6.923 -3.879 1.00 0.00 N ATOM 771 CA ARG A 44 -21.766 5.684 -4.633 1.00 0.00 C ATOM 772 C ARG A 44 -22.631 4.680 -3.874 1.00 0.00 C ATOM 773 O ARG A 44 -23.484 4.014 -4.461 1.00 0.00 O ATOM 774 CB ARG A 44 -20.390 5.079 -4.927 1.00 0.00 C ATOM 775 CG ARG A 44 -19.985 5.176 -6.387 1.00 0.00 C ATOM 776 CD ARG A 44 -19.123 3.995 -6.804 1.00 0.00 C ATOM 777 NE ARG A 44 -19.781 2.717 -6.545 1.00 0.00 N ATOM 778 CZ ARG A 44 -20.785 2.239 -7.274 1.00 0.00 C ATOM 779 NH1 ARG A 44 -21.251 2.930 -8.308 1.00 0.00 N ATOM 780 NH2 ARG A 44 -21.327 1.067 -6.971 1.00 0.00 N ATOM 0 H ARG A 44 -20.662 7.139 -3.603 1.00 0.00 H new ATOM 0 HA ARG A 44 -22.261 5.916 -5.576 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -19.642 5.584 -4.316 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -20.391 4.031 -4.627 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -20.877 5.215 -7.012 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -19.438 6.104 -6.553 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -18.890 4.074 -7.866 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -18.176 4.030 -6.266 1.00 0.00 H new ATOM 0 HE ARG A 44 -19.451 2.158 -5.758 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -20.839 3.832 -8.546 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -22.021 2.559 -8.864 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -20.974 0.531 -6.178 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -22.097 0.701 -7.531 1.00 0.00 H new ATOM 794 N LEU A 45 -22.406 4.578 -2.568 1.00 0.00 N ATOM 795 CA LEU A 45 -23.166 3.655 -1.734 1.00 0.00 C ATOM 796 C LEU A 45 -24.525 4.245 -1.363 1.00 0.00 C ATOM 797 O LEU A 45 -25.525 3.531 -1.301 1.00 0.00 O ATOM 798 CB LEU A 45 -22.379 3.315 -0.467 1.00 0.00 C ATOM 799 CG LEU A 45 -21.371 2.176 -0.621 1.00 0.00 C ATOM 800 CD1 LEU A 45 -20.285 2.555 -1.616 1.00 0.00 C ATOM 801 CD2 LEU A 45 -20.762 1.819 0.727 1.00 0.00 C ATOM 0 H LEU A 45 -21.705 5.122 -2.065 1.00 0.00 H new ATOM 0 HA LEU A 45 -23.333 2.742 -2.305 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -21.848 4.208 -0.136 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -23.084 3.052 0.322 1.00 0.00 H new ATOM 0 HG LEU A 45 -21.895 1.301 -1.004 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -19.577 1.732 -1.713 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -20.736 2.761 -2.586 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -19.762 3.444 -1.263 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -20.047 1.006 0.599 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -20.252 2.690 1.138 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -21.550 1.504 1.411 1.00 0.00 H new ATOM 813 N GLN A 46 -24.551 5.550 -1.122 1.00 0.00 N ATOM 814 CA GLN A 46 -25.785 6.240 -0.761 1.00 0.00 C ATOM 815 C GLN A 46 -25.871 7.596 -1.458 1.00 0.00 C ATOM 816 O GLN A 46 -25.707 8.640 -0.828 1.00 0.00 O ATOM 817 CB GLN A 46 -25.871 6.421 0.756 1.00 0.00 C ATOM 818 CG GLN A 46 -26.701 5.355 1.452 1.00 0.00 C ATOM 819 CD GLN A 46 -28.184 5.496 1.171 1.00 0.00 C ATOM 820 OE1 GLN A 46 -28.840 6.403 1.886 1.00 0.00 O flip ATOM 821 NE2 GLN A 46 -28.735 4.797 0.320 1.00 0.00 N flip ATOM 0 H GLN A 46 -23.730 6.154 -1.170 1.00 0.00 H new ATOM 0 HA GLN A 46 -26.625 5.629 -1.091 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -24.863 6.413 1.172 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -26.298 7.400 0.973 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -26.366 4.370 1.128 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -26.532 5.412 2.527 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -28.193 4.112 -0.207 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -29.734 4.903 0.142 1.00 0.00 H new ATOM 830 N PRO A 47 -26.125 7.595 -2.778 1.00 0.00 N ATOM 831 CA PRO A 47 -26.230 8.829 -3.563 1.00 0.00 C ATOM 832 C PRO A 47 -27.509 9.603 -3.260 1.00 0.00 C ATOM 833 O PRO A 47 -27.565 10.820 -3.435 1.00 0.00 O ATOM 834 CB PRO A 47 -26.237 8.330 -5.008 1.00 0.00 C ATOM 835 CG PRO A 47 -26.794 6.951 -4.927 1.00 0.00 C ATOM 836 CD PRO A 47 -26.332 6.393 -3.608 1.00 0.00 C ATOM 0 HA PRO A 47 -25.419 9.523 -3.341 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -26.850 8.968 -5.645 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -25.233 8.328 -5.431 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -27.882 6.966 -4.984 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -26.440 6.338 -5.756 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -27.076 5.727 -3.171 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -25.413 5.817 -3.716 1.00 0.00 H new ATOM 844 N GLY A 48 -28.532 8.887 -2.809 1.00 0.00 N ATOM 845 CA GLY A 48 -29.797 9.523 -2.492 1.00 0.00 C ATOM 846 C GLY A 48 -29.716 10.406 -1.262 1.00 0.00 C ATOM 847 O GLY A 48 -30.344 11.463 -1.208 1.00 0.00 O ATOM 0 H GLY A 48 -28.509 7.879 -2.657 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -30.121 10.122 -3.343 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -30.555 8.756 -2.334 1.00 0.00 H new ATOM 851 N LEU A 49 -28.948 9.968 -0.271 1.00 0.00 N ATOM 852 CA LEU A 49 -28.797 10.727 0.966 1.00 0.00 C ATOM 853 C LEU A 49 -27.467 11.477 0.996 1.00 0.00 C ATOM 854 O LEU A 49 -26.898 11.704 2.062 1.00 0.00 O ATOM 855 CB LEU A 49 -28.901 9.793 2.176 1.00 0.00 C ATOM 856 CG LEU A 49 -30.088 10.066 3.101 1.00 0.00 C ATOM 857 CD1 LEU A 49 -30.538 8.785 3.784 1.00 0.00 C ATOM 858 CD2 LEU A 49 -29.725 11.123 4.131 1.00 0.00 C ATOM 0 H LEU A 49 -28.422 9.095 -0.299 1.00 0.00 H new ATOM 0 HA LEU A 49 -29.601 11.461 1.010 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -28.967 8.765 1.819 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -27.982 9.871 2.756 1.00 0.00 H new ATOM 0 HG LEU A 49 -30.916 10.441 2.499 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -31.383 8.999 4.438 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -30.838 8.057 3.030 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -29.716 8.379 4.374 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -30.580 11.306 4.782 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -28.883 10.775 4.728 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -29.452 12.048 3.623 1.00 0.00 H new ATOM 870 N LEU A 50 -26.978 11.859 -0.179 1.00 0.00 N ATOM 871 CA LEU A 50 -25.716 12.584 -0.279 1.00 0.00 C ATOM 872 C LEU A 50 -25.796 13.688 -1.332 1.00 0.00 C ATOM 873 O LEU A 50 -26.728 13.727 -2.136 1.00 0.00 O ATOM 874 CB LEU A 50 -24.576 11.618 -0.618 1.00 0.00 C ATOM 875 CG LEU A 50 -23.756 11.134 0.580 1.00 0.00 C ATOM 876 CD1 LEU A 50 -23.184 12.316 1.348 1.00 0.00 C ATOM 877 CD2 LEU A 50 -24.606 10.263 1.493 1.00 0.00 C ATOM 0 H LEU A 50 -27.435 11.679 -1.073 1.00 0.00 H new ATOM 0 HA LEU A 50 -25.517 13.048 0.687 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -24.996 10.750 -1.126 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -23.905 12.107 -1.324 1.00 0.00 H new ATOM 0 HG LEU A 50 -22.926 10.533 0.208 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -22.604 11.952 2.196 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -22.539 12.899 0.691 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -23.999 12.944 1.708 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -24.006 9.928 2.339 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -25.457 10.839 1.857 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -24.965 9.396 0.938 1.00 0.00 H new ATOM 889 N GLU A 51 -24.810 14.581 -1.318 1.00 0.00 N ATOM 890 CA GLU A 51 -24.759 15.687 -2.268 1.00 0.00 C ATOM 891 C GLU A 51 -23.319 16.167 -2.451 1.00 0.00 C ATOM 892 O GLU A 51 -22.991 17.317 -2.157 1.00 0.00 O ATOM 893 CB GLU A 51 -25.642 16.843 -1.788 1.00 0.00 C ATOM 894 CG GLU A 51 -27.075 16.762 -2.290 1.00 0.00 C ATOM 895 CD GLU A 51 -27.461 17.950 -3.149 1.00 0.00 C ATOM 896 OE1 GLU A 51 -27.183 17.919 -4.366 1.00 0.00 O ATOM 897 OE2 GLU A 51 -28.045 18.911 -2.605 1.00 0.00 O ATOM 0 H GLU A 51 -24.034 14.559 -0.657 1.00 0.00 H new ATOM 0 HA GLU A 51 -25.135 15.334 -3.228 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -25.648 16.857 -0.698 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -25.203 17.785 -2.116 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -27.203 15.845 -2.866 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -27.751 16.700 -1.438 1.00 0.00 H new ATOM 904 N PRO A 52 -22.437 15.280 -2.943 1.00 0.00 N ATOM 905 CA PRO A 52 -21.021 15.600 -3.164 1.00 0.00 C ATOM 906 C PRO A 52 -20.822 16.768 -4.122 1.00 0.00 C ATOM 907 O PRO A 52 -19.904 17.570 -3.956 1.00 0.00 O ATOM 908 CB PRO A 52 -20.447 14.312 -3.770 1.00 0.00 C ATOM 909 CG PRO A 52 -21.632 13.562 -4.271 1.00 0.00 C ATOM 910 CD PRO A 52 -22.744 13.893 -3.322 1.00 0.00 C ATOM 0 HA PRO A 52 -20.534 15.908 -2.239 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -19.749 14.532 -4.578 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -19.900 13.734 -3.025 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -21.883 13.859 -5.289 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -21.439 12.489 -4.291 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -23.721 13.809 -3.797 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -22.751 13.228 -2.458 1.00 0.00 H new ATOM 918 N SER A 53 -21.684 16.857 -5.129 1.00 0.00 N ATOM 919 CA SER A 53 -21.595 17.926 -6.116 1.00 0.00 C ATOM 920 C SER A 53 -21.591 19.296 -5.444 1.00 0.00 C ATOM 921 O SER A 53 -20.910 20.218 -5.896 1.00 0.00 O ATOM 922 CB SER A 53 -22.761 17.835 -7.102 1.00 0.00 C ATOM 923 OG SER A 53 -22.531 18.650 -8.239 1.00 0.00 O ATOM 0 H SER A 53 -22.451 16.203 -5.283 1.00 0.00 H new ATOM 0 HA SER A 53 -20.656 17.806 -6.657 1.00 0.00 H new ATOM 0 HB2 SER A 53 -22.898 16.800 -7.414 1.00 0.00 H new ATOM 0 HB3 SER A 53 -23.683 18.144 -6.610 1.00 0.00 H new ATOM 0 HG SER A 53 -23.289 18.574 -8.855 1.00 0.00 H new ATOM 929 N GLU A 54 -22.358 19.426 -4.368 1.00 0.00 N ATOM 930 CA GLU A 54 -22.445 20.688 -3.641 1.00 0.00 C ATOM 931 C GLU A 54 -21.161 20.979 -2.867 1.00 0.00 C ATOM 932 O GLU A 54 -20.603 22.070 -2.962 1.00 0.00 O ATOM 933 CB GLU A 54 -23.636 20.663 -2.681 1.00 0.00 C ATOM 934 CG GLU A 54 -24.484 21.924 -2.733 1.00 0.00 C ATOM 935 CD GLU A 54 -25.396 22.061 -1.529 1.00 0.00 C ATOM 936 OE1 GLU A 54 -25.930 21.030 -1.068 1.00 0.00 O ATOM 937 OE2 GLU A 54 -25.575 23.200 -1.048 1.00 0.00 O ATOM 0 H GLU A 54 -22.928 18.675 -3.980 1.00 0.00 H new ATOM 0 HA GLU A 54 -22.585 21.483 -4.373 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -24.263 19.803 -2.915 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -23.270 20.523 -1.664 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -23.831 22.795 -2.791 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -25.086 21.916 -3.642 1.00 0.00 H new ATOM 944 N LEU A 55 -20.704 20.000 -2.095 1.00 0.00 N ATOM 945 CA LEU A 55 -19.493 20.152 -1.290 1.00 0.00 C ATOM 946 C LEU A 55 -18.224 19.985 -2.124 1.00 0.00 C ATOM 947 O LEU A 55 -17.120 20.238 -1.640 1.00 0.00 O ATOM 948 CB LEU A 55 -19.495 19.141 -0.142 1.00 0.00 C ATOM 949 CG LEU A 55 -20.832 18.995 0.589 1.00 0.00 C ATOM 950 CD1 LEU A 55 -21.149 17.528 0.839 1.00 0.00 C ATOM 951 CD2 LEU A 55 -20.808 19.766 1.900 1.00 0.00 C ATOM 0 H LEU A 55 -21.154 19.089 -2.008 1.00 0.00 H new ATOM 0 HA LEU A 55 -19.494 21.165 -0.889 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -19.205 18.167 -0.535 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -18.733 19.433 0.581 1.00 0.00 H new ATOM 0 HG LEU A 55 -21.616 19.412 -0.043 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -22.103 17.446 1.360 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -21.208 17.001 -0.113 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -20.363 17.085 1.450 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -21.766 19.652 2.407 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -20.012 19.378 2.536 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -20.628 20.822 1.698 1.00 0.00 H new ATOM 963 N GLN A 56 -18.377 19.542 -3.366 1.00 0.00 N ATOM 964 CA GLN A 56 -17.234 19.326 -4.245 1.00 0.00 C ATOM 965 C GLN A 56 -16.449 20.613 -4.481 1.00 0.00 C ATOM 966 O GLN A 56 -15.224 20.585 -4.603 1.00 0.00 O ATOM 967 CB GLN A 56 -17.704 18.754 -5.584 1.00 0.00 C ATOM 968 CG GLN A 56 -16.573 18.482 -6.563 1.00 0.00 C ATOM 969 CD GLN A 56 -16.899 18.932 -7.972 1.00 0.00 C ATOM 970 OE1 GLN A 56 -17.091 18.113 -8.871 1.00 0.00 O ATOM 971 NE2 GLN A 56 -16.965 20.244 -8.173 1.00 0.00 N ATOM 0 H GLN A 56 -19.280 19.325 -3.787 1.00 0.00 H new ATOM 0 HA GLN A 56 -16.570 18.615 -3.754 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -18.246 17.826 -5.402 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -18.408 19.451 -6.040 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -15.672 18.992 -6.222 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -16.352 17.415 -6.569 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -16.799 20.887 -7.399 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -17.182 20.607 -9.101 1.00 0.00 H new ATOM 980 N GLY A 57 -17.154 21.735 -4.554 1.00 0.00 N ATOM 981 CA GLY A 57 -16.489 23.005 -4.786 1.00 0.00 C ATOM 982 C GLY A 57 -16.780 24.041 -3.715 1.00 0.00 C ATOM 983 O GLY A 57 -16.166 25.107 -3.698 1.00 0.00 O ATOM 0 H GLY A 57 -18.168 21.790 -4.458 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -15.413 22.839 -4.838 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -16.799 23.397 -5.755 1.00 0.00 H new ATOM 987 N LEU A 58 -17.717 23.737 -2.822 1.00 0.00 N ATOM 988 CA LEU A 58 -18.075 24.663 -1.755 1.00 0.00 C ATOM 989 C LEU A 58 -16.976 24.741 -0.702 1.00 0.00 C ATOM 990 O LEU A 58 -16.808 25.764 -0.040 1.00 0.00 O ATOM 991 CB LEU A 58 -19.394 24.246 -1.108 1.00 0.00 C ATOM 992 CG LEU A 58 -20.578 25.151 -1.443 1.00 0.00 C ATOM 993 CD1 LEU A 58 -21.332 24.626 -2.654 1.00 0.00 C ATOM 994 CD2 LEU A 58 -21.509 25.283 -0.247 1.00 0.00 C ATOM 0 H LEU A 58 -18.239 22.861 -2.816 1.00 0.00 H new ATOM 0 HA LEU A 58 -18.194 25.652 -2.196 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -19.631 23.229 -1.419 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -19.263 24.226 -0.026 1.00 0.00 H new ATOM 0 HG LEU A 58 -20.191 26.141 -1.686 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -22.171 25.286 -2.874 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -20.662 24.592 -3.513 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -21.705 23.623 -2.444 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -22.346 25.932 -0.507 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -21.886 24.299 0.031 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -20.964 25.713 0.593 1.00 0.00 H new ATOM 1006 N GLY A 59 -16.230 23.652 -0.549 1.00 0.00 N ATOM 1007 CA GLY A 59 -15.158 23.627 0.428 1.00 0.00 C ATOM 1008 C GLY A 59 -14.612 22.234 0.665 1.00 0.00 C ATOM 1009 O GLY A 59 -15.339 21.246 0.554 1.00 0.00 O ATOM 0 H GLY A 59 -16.348 22.790 -1.082 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -14.350 24.276 0.091 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -15.522 24.035 1.371 1.00 0.00 H new ATOM 1013 N ALA A 60 -13.326 22.154 0.996 1.00 0.00 N ATOM 1014 CA ALA A 60 -12.679 20.875 1.254 1.00 0.00 C ATOM 1015 C ALA A 60 -13.067 20.333 2.625 1.00 0.00 C ATOM 1016 O ALA A 60 -13.591 19.226 2.740 1.00 0.00 O ATOM 1017 CB ALA A 60 -11.167 21.019 1.151 1.00 0.00 C ATOM 0 H ALA A 60 -12.712 22.963 1.092 1.00 0.00 H new ATOM 0 HA ALA A 60 -13.018 20.164 0.500 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -10.696 20.056 1.346 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -10.901 21.357 0.149 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -10.820 21.748 1.884 1.00 0.00 H new ATOM 1023 N LEU A 61 -12.806 21.124 3.660 1.00 0.00 N ATOM 1024 CA LEU A 61 -13.130 20.726 5.026 1.00 0.00 C ATOM 1025 C LEU A 61 -14.625 20.470 5.175 1.00 0.00 C ATOM 1026 O LEU A 61 -15.041 19.556 5.888 1.00 0.00 O ATOM 1027 CB LEU A 61 -12.679 21.807 6.013 1.00 0.00 C ATOM 1028 CG LEU A 61 -11.320 21.559 6.668 1.00 0.00 C ATOM 1029 CD1 LEU A 61 -10.206 22.169 5.833 1.00 0.00 C ATOM 1030 CD2 LEU A 61 -11.299 22.123 8.081 1.00 0.00 C ATOM 0 H LEU A 61 -12.372 22.043 3.580 1.00 0.00 H new ATOM 0 HA LEU A 61 -12.599 19.800 5.248 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -12.644 22.763 5.490 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -13.431 21.899 6.796 1.00 0.00 H new ATOM 0 HG LEU A 61 -11.156 20.483 6.725 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -9.246 21.982 6.315 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -10.207 21.719 4.840 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -10.365 23.244 5.744 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -10.324 21.938 8.532 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -11.485 23.196 8.047 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -12.073 21.639 8.677 1.00 0.00 H new ATOM 1042 N GLU A 62 -15.430 21.285 4.500 1.00 0.00 N ATOM 1043 CA GLU A 62 -16.880 21.146 4.556 1.00 0.00 C ATOM 1044 C GLU A 62 -17.322 19.812 3.965 1.00 0.00 C ATOM 1045 O GLU A 62 -18.134 19.099 4.553 1.00 0.00 O ATOM 1046 CB GLU A 62 -17.553 22.297 3.807 1.00 0.00 C ATOM 1047 CG GLU A 62 -18.955 22.610 4.305 1.00 0.00 C ATOM 1048 CD GLU A 62 -19.772 23.388 3.292 1.00 0.00 C ATOM 1049 OE1 GLU A 62 -19.485 24.588 3.095 1.00 0.00 O ATOM 1050 OE2 GLU A 62 -20.698 22.798 2.697 1.00 0.00 O ATOM 0 H GLU A 62 -15.102 22.048 3.908 1.00 0.00 H new ATOM 0 HA GLU A 62 -17.183 21.177 5.603 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -16.935 23.190 3.900 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -17.600 22.051 2.746 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -19.469 21.679 4.543 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -18.889 23.183 5.230 1.00 0.00 H new ATOM 1057 N ALA A 63 -16.778 19.479 2.798 1.00 0.00 N ATOM 1058 CA ALA A 63 -17.115 18.229 2.127 1.00 0.00 C ATOM 1059 C ALA A 63 -16.675 17.027 2.953 1.00 0.00 C ATOM 1060 O ALA A 63 -17.405 16.043 3.073 1.00 0.00 O ATOM 1061 CB ALA A 63 -16.478 18.186 0.745 1.00 0.00 C ATOM 0 H ALA A 63 -16.103 20.057 2.298 1.00 0.00 H new ATOM 0 HA ALA A 63 -18.199 18.183 2.018 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -16.737 17.248 0.254 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -16.846 19.021 0.149 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -15.395 18.258 0.841 1.00 0.00 H new ATOM 1067 N THR A 64 -15.477 17.113 3.523 1.00 0.00 N ATOM 1068 CA THR A 64 -14.940 16.031 4.339 1.00 0.00 C ATOM 1069 C THR A 64 -15.786 15.826 5.592 1.00 0.00 C ATOM 1070 O THR A 64 -16.191 14.707 5.903 1.00 0.00 O ATOM 1071 CB THR A 64 -13.493 16.327 4.729 1.00 0.00 C ATOM 1072 OG1 THR A 64 -13.267 17.724 4.803 1.00 0.00 O ATOM 1073 CG2 THR A 64 -12.481 15.752 3.761 1.00 0.00 C ATOM 0 H THR A 64 -14.860 17.921 3.435 1.00 0.00 H new ATOM 0 HA THR A 64 -14.968 15.115 3.749 1.00 0.00 H new ATOM 0 HB THR A 64 -13.355 15.852 5.700 1.00 0.00 H new ATOM 0 HG1 THR A 64 -13.074 18.072 3.907 1.00 0.00 H new ATOM 0 HG21 THR A 64 -11.474 15.999 4.098 1.00 0.00 H new ATOM 0 HG22 THR A 64 -12.593 14.669 3.718 1.00 0.00 H new ATOM 0 HG23 THR A 64 -12.646 16.174 2.769 1.00 0.00 H new ATOM 1081 N ALA A 65 -16.047 16.915 6.308 1.00 0.00 N ATOM 1082 CA ALA A 65 -16.843 16.853 7.527 1.00 0.00 C ATOM 1083 C ALA A 65 -18.248 16.332 7.241 1.00 0.00 C ATOM 1084 O ALA A 65 -18.775 15.502 7.980 1.00 0.00 O ATOM 1085 CB ALA A 65 -16.912 18.225 8.182 1.00 0.00 C ATOM 0 H ALA A 65 -15.719 17.850 6.065 1.00 0.00 H new ATOM 0 HA ALA A 65 -16.358 16.158 8.212 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -17.510 18.164 9.092 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -15.905 18.560 8.431 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -17.371 18.934 7.493 1.00 0.00 H new ATOM 1091 N TRP A 66 -18.849 16.826 6.163 1.00 0.00 N ATOM 1092 CA TRP A 66 -20.192 16.408 5.779 1.00 0.00 C ATOM 1093 C TRP A 66 -20.206 14.944 5.351 1.00 0.00 C ATOM 1094 O TRP A 66 -21.040 14.162 5.808 1.00 0.00 O ATOM 1095 CB TRP A 66 -20.719 17.287 4.643 1.00 0.00 C ATOM 1096 CG TRP A 66 -22.178 17.604 4.764 1.00 0.00 C ATOM 1097 CD1 TRP A 66 -22.742 18.599 5.512 1.00 0.00 C ATOM 1098 CD2 TRP A 66 -23.261 16.923 4.120 1.00 0.00 C ATOM 1099 NE1 TRP A 66 -24.108 18.577 5.372 1.00 0.00 N ATOM 1100 CE2 TRP A 66 -24.452 17.558 4.523 1.00 0.00 C ATOM 1101 CE3 TRP A 66 -23.341 15.839 3.242 1.00 0.00 C ATOM 1102 CZ2 TRP A 66 -25.705 17.144 4.077 1.00 0.00 C ATOM 1103 CZ3 TRP A 66 -24.586 15.429 2.800 1.00 0.00 C ATOM 1104 CH2 TRP A 66 -25.752 16.080 3.218 1.00 0.00 C ATOM 0 H TRP A 66 -18.427 17.516 5.541 1.00 0.00 H new ATOM 0 HA TRP A 66 -20.841 16.521 6.648 1.00 0.00 H new ATOM 0 HB2 TRP A 66 -20.153 18.218 4.622 1.00 0.00 H new ATOM 0 HB3 TRP A 66 -20.542 16.784 3.692 1.00 0.00 H new ATOM 0 HD1 TRP A 66 -22.194 19.300 6.124 1.00 0.00 H new ATOM 0 HE1 TRP A 66 -24.761 19.216 5.826 1.00 0.00 H new ATOM 0 HE3 TRP A 66 -22.447 15.330 2.914 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 -26.607 17.645 4.398 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 -24.659 14.592 2.121 1.00 0.00 H new ATOM 0 HH2 TRP A 66 -26.709 15.735 2.855 1.00 0.00 H new ATOM 1115 N ALA A 67 -19.275 14.580 4.475 1.00 0.00 N ATOM 1116 CA ALA A 67 -19.179 13.211 3.985 1.00 0.00 C ATOM 1117 C ALA A 67 -18.841 12.246 5.115 1.00 0.00 C ATOM 1118 O ALA A 67 -19.359 11.130 5.167 1.00 0.00 O ATOM 1119 CB ALA A 67 -18.136 13.118 2.880 1.00 0.00 C ATOM 0 H ALA A 67 -18.576 15.215 4.090 1.00 0.00 H new ATOM 0 HA ALA A 67 -20.150 12.928 3.579 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -18.075 12.090 2.523 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -18.420 13.772 2.056 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -17.165 13.426 3.269 1.00 0.00 H new ATOM 1125 N LEU A 68 -17.967 12.679 6.017 1.00 0.00 N ATOM 1126 CA LEU A 68 -17.558 11.851 7.145 1.00 0.00 C ATOM 1127 C LEU A 68 -18.730 11.589 8.085 1.00 0.00 C ATOM 1128 O LEU A 68 -18.953 10.457 8.515 1.00 0.00 O ATOM 1129 CB LEU A 68 -16.417 12.524 7.911 1.00 0.00 C ATOM 1130 CG LEU A 68 -15.767 11.662 8.993 1.00 0.00 C ATOM 1131 CD1 LEU A 68 -15.246 10.363 8.400 1.00 0.00 C ATOM 1132 CD2 LEU A 68 -14.645 12.426 9.680 1.00 0.00 C ATOM 0 H LEU A 68 -17.528 13.599 5.989 1.00 0.00 H new ATOM 0 HA LEU A 68 -17.211 10.895 6.753 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -15.649 12.825 7.198 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -16.798 13.435 8.373 1.00 0.00 H new ATOM 0 HG LEU A 68 -16.523 11.418 9.739 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -14.787 9.763 9.186 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -16.073 9.808 7.956 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -14.504 10.585 7.633 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -14.193 11.797 10.447 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -13.889 12.701 8.945 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -15.048 13.328 10.141 1.00 0.00 H new ATOM 1144 N LYS A 69 -19.476 12.643 8.403 1.00 0.00 N ATOM 1145 CA LYS A 69 -20.624 12.525 9.296 1.00 0.00 C ATOM 1146 C LYS A 69 -21.715 11.659 8.673 1.00 0.00 C ATOM 1147 O LYS A 69 -22.242 10.750 9.314 1.00 0.00 O ATOM 1148 CB LYS A 69 -21.179 13.912 9.629 1.00 0.00 C ATOM 1149 CG LYS A 69 -21.209 14.213 11.119 1.00 0.00 C ATOM 1150 CD LYS A 69 -22.162 15.355 11.437 1.00 0.00 C ATOM 1151 CE LYS A 69 -22.795 15.184 12.809 1.00 0.00 C ATOM 1152 NZ LYS A 69 -24.023 16.012 12.961 1.00 0.00 N ATOM 0 H LYS A 69 -19.306 13.587 8.056 1.00 0.00 H new ATOM 0 HA LYS A 69 -20.291 12.044 10.216 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -20.574 14.667 9.126 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -22.190 13.995 9.229 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -21.513 13.320 11.666 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -20.206 14.469 11.460 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -21.623 16.302 11.399 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -22.943 15.402 10.678 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -23.043 14.134 12.966 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -22.074 15.460 13.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -24.424 15.867 13.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -23.782 17.016 12.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -24.722 15.732 12.243 1.00 0.00 H new ATOM 1166 N VAL A 70 -22.049 11.945 7.419 1.00 0.00 N ATOM 1167 CA VAL A 70 -23.076 11.189 6.713 1.00 0.00 C ATOM 1168 C VAL A 70 -22.611 9.764 6.430 1.00 0.00 C ATOM 1169 O VAL A 70 -23.393 8.819 6.519 1.00 0.00 O ATOM 1170 CB VAL A 70 -23.469 11.865 5.386 1.00 0.00 C ATOM 1171 CG1 VAL A 70 -24.097 13.227 5.646 1.00 0.00 C ATOM 1172 CG2 VAL A 70 -22.261 11.992 4.471 1.00 0.00 C ATOM 0 H VAL A 70 -21.624 12.694 6.872 1.00 0.00 H new ATOM 0 HA VAL A 70 -23.949 11.162 7.365 1.00 0.00 H new ATOM 0 HB VAL A 70 -24.208 11.239 4.886 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -24.368 13.690 4.697 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -24.990 13.105 6.259 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -23.383 13.863 6.169 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -22.559 12.472 3.539 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -21.496 12.594 4.960 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -21.861 11.001 4.257 1.00 0.00 H new ATOM 1182 N ALA A 71 -21.334 9.617 6.088 1.00 0.00 N ATOM 1183 CA ALA A 71 -20.774 8.303 5.794 1.00 0.00 C ATOM 1184 C ALA A 71 -20.995 7.351 6.962 1.00 0.00 C ATOM 1185 O ALA A 71 -21.423 6.213 6.777 1.00 0.00 O ATOM 1186 CB ALA A 71 -19.288 8.418 5.482 1.00 0.00 C ATOM 0 H ALA A 71 -20.671 10.388 6.008 1.00 0.00 H new ATOM 0 HA ALA A 71 -21.286 7.901 4.920 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -18.884 7.429 5.265 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -19.147 9.066 4.617 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -18.768 8.842 6.341 1.00 0.00 H new ATOM 1192 N GLU A 72 -20.710 7.832 8.166 1.00 0.00 N ATOM 1193 CA GLU A 72 -20.893 7.031 9.370 1.00 0.00 C ATOM 1194 C GLU A 72 -22.376 6.825 9.656 1.00 0.00 C ATOM 1195 O GLU A 72 -22.789 5.759 10.105 1.00 0.00 O ATOM 1196 CB GLU A 72 -20.212 7.699 10.566 1.00 0.00 C ATOM 1197 CG GLU A 72 -20.732 9.095 10.863 1.00 0.00 C ATOM 1198 CD GLU A 72 -20.256 9.623 12.203 1.00 0.00 C ATOM 1199 OE1 GLU A 72 -20.225 8.837 13.172 1.00 0.00 O ATOM 1200 OE2 GLU A 72 -19.915 10.822 12.282 1.00 0.00 O ATOM 0 H GLU A 72 -20.352 8.772 8.335 1.00 0.00 H new ATOM 0 HA GLU A 72 -20.433 6.057 9.206 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -20.351 7.074 11.448 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -19.139 7.752 10.379 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -20.409 9.774 10.074 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -21.822 9.083 10.848 1.00 0.00 H new ATOM 1207 N ASN A 73 -23.170 7.857 9.398 1.00 0.00 N ATOM 1208 CA ASN A 73 -24.608 7.789 9.637 1.00 0.00 C ATOM 1209 C ASN A 73 -25.288 6.837 8.657 1.00 0.00 C ATOM 1210 O ASN A 73 -26.174 6.071 9.035 1.00 0.00 O ATOM 1211 CB ASN A 73 -25.227 9.181 9.522 1.00 0.00 C ATOM 1212 CG ASN A 73 -26.518 9.306 10.307 1.00 0.00 C ATOM 1213 OD1 ASN A 73 -26.647 8.756 11.401 1.00 0.00 O ATOM 1214 ND2 ASN A 73 -27.483 10.030 9.751 1.00 0.00 N ATOM 0 H ASN A 73 -22.845 8.749 9.024 1.00 0.00 H new ATOM 0 HA ASN A 73 -24.762 7.407 10.646 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -24.514 9.923 9.880 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -25.420 9.404 8.473 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -28.374 10.148 10.233 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -27.333 10.468 8.842 1.00 0.00 H new ATOM 1221 N GLU A 74 -24.876 6.897 7.396 1.00 0.00 N ATOM 1222 CA GLU A 74 -25.451 6.047 6.359 1.00 0.00 C ATOM 1223 C GLU A 74 -24.844 4.646 6.372 1.00 0.00 C ATOM 1224 O GLU A 74 -25.551 3.652 6.212 1.00 0.00 O ATOM 1225 CB GLU A 74 -25.251 6.686 4.983 1.00 0.00 C ATOM 1226 CG GLU A 74 -25.900 8.051 4.846 1.00 0.00 C ATOM 1227 CD GLU A 74 -27.375 8.034 5.200 1.00 0.00 C ATOM 1228 OE1 GLU A 74 -28.035 7.006 4.936 1.00 0.00 O ATOM 1229 OE2 GLU A 74 -27.868 9.045 5.742 1.00 0.00 O ATOM 0 H GLU A 74 -24.144 7.527 7.066 1.00 0.00 H new ATOM 0 HA GLU A 74 -26.517 5.952 6.567 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -24.183 6.780 4.787 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -25.658 6.022 4.221 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -25.383 8.761 5.492 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -25.780 8.405 3.822 1.00 0.00 H new ATOM 1236 N LEU A 75 -23.526 4.574 6.539 1.00 0.00 N ATOM 1237 CA LEU A 75 -22.827 3.293 6.545 1.00 0.00 C ATOM 1238 C LEU A 75 -22.597 2.774 7.962 1.00 0.00 C ATOM 1239 O LEU A 75 -23.003 1.659 8.296 1.00 0.00 O ATOM 1240 CB LEU A 75 -21.484 3.422 5.822 1.00 0.00 C ATOM 1241 CG LEU A 75 -20.794 2.098 5.495 1.00 0.00 C ATOM 1242 CD1 LEU A 75 -20.017 2.207 4.193 1.00 0.00 C ATOM 1243 CD2 LEU A 75 -19.875 1.682 6.634 1.00 0.00 C ATOM 0 H LEU A 75 -22.922 5.385 6.672 1.00 0.00 H new ATOM 0 HA LEU A 75 -23.460 2.575 6.024 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -21.640 3.972 4.894 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -20.813 4.021 6.438 1.00 0.00 H new ATOM 0 HG LEU A 75 -21.559 1.332 5.373 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -19.533 1.255 3.977 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -20.700 2.459 3.382 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -19.260 2.986 4.285 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -19.392 0.737 6.385 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -19.116 2.449 6.787 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -20.458 1.561 7.547 1.00 0.00 H new ATOM 1255 N GLY A 76 -21.942 3.580 8.792 1.00 0.00 N ATOM 1256 CA GLY A 76 -21.668 3.171 10.159 1.00 0.00 C ATOM 1257 C GLY A 76 -20.196 2.894 10.397 1.00 0.00 C ATOM 1258 O GLY A 76 -19.841 2.067 11.235 1.00 0.00 O ATOM 0 H GLY A 76 -21.597 4.507 8.544 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -22.003 3.951 10.843 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -22.245 2.276 10.390 1.00 0.00 H new ATOM 1262 N ILE A 77 -19.337 3.589 9.657 1.00 0.00 N ATOM 1263 CA ILE A 77 -17.897 3.415 9.793 1.00 0.00 C ATOM 1264 C ILE A 77 -17.299 4.462 10.729 1.00 0.00 C ATOM 1265 O ILE A 77 -17.533 5.660 10.566 1.00 0.00 O ATOM 1266 CB ILE A 77 -17.188 3.495 8.424 1.00 0.00 C ATOM 1267 CG1 ILE A 77 -15.699 3.175 8.571 1.00 0.00 C ATOM 1268 CG2 ILE A 77 -17.384 4.871 7.800 1.00 0.00 C ATOM 1269 CD1 ILE A 77 -15.175 2.232 7.511 1.00 0.00 C ATOM 0 H ILE A 77 -19.614 4.278 8.957 1.00 0.00 H new ATOM 0 HA ILE A 77 -17.738 2.424 10.217 1.00 0.00 H new ATOM 0 HB ILE A 77 -17.633 2.753 7.761 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -15.131 4.104 8.532 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -15.525 2.736 9.554 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -16.877 4.909 6.836 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -18.448 5.058 7.658 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -16.967 5.632 8.459 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -14.113 2.050 7.678 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -15.717 1.288 7.564 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -15.316 2.677 6.526 1.00 0.00 H new ATOM 1281 N THR A 78 -16.530 4.002 11.708 1.00 0.00 N ATOM 1282 CA THR A 78 -15.901 4.898 12.672 1.00 0.00 C ATOM 1283 C THR A 78 -14.729 5.644 12.036 1.00 0.00 C ATOM 1284 O THR A 78 -13.825 5.025 11.474 1.00 0.00 O ATOM 1285 CB THR A 78 -15.417 4.109 13.890 1.00 0.00 C ATOM 1286 OG1 THR A 78 -16.488 3.398 14.485 1.00 0.00 O ATOM 1287 CG2 THR A 78 -14.795 4.981 14.960 1.00 0.00 C ATOM 0 H THR A 78 -16.326 3.014 11.856 1.00 0.00 H new ATOM 0 HA THR A 78 -16.644 5.629 12.992 1.00 0.00 H new ATOM 0 HB THR A 78 -14.655 3.429 13.509 1.00 0.00 H new ATOM 0 HG1 THR A 78 -16.158 2.899 15.261 1.00 0.00 H new ATOM 0 HG21 THR A 78 -14.473 4.359 15.795 1.00 0.00 H new ATOM 0 HG22 THR A 78 -13.934 5.506 14.546 1.00 0.00 H new ATOM 0 HG23 THR A 78 -15.529 5.707 15.310 1.00 0.00 H new ATOM 1295 N PRO A 79 -14.725 6.988 12.115 1.00 0.00 N ATOM 1296 CA PRO A 79 -13.652 7.808 11.538 1.00 0.00 C ATOM 1297 C PRO A 79 -12.272 7.387 12.034 1.00 0.00 C ATOM 1298 O PRO A 79 -12.081 7.118 13.220 1.00 0.00 O ATOM 1299 CB PRO A 79 -13.982 9.224 12.019 1.00 0.00 C ATOM 1300 CG PRO A 79 -15.447 9.203 12.283 1.00 0.00 C ATOM 1301 CD PRO A 79 -15.760 7.814 12.764 1.00 0.00 C ATOM 0 HA PRO A 79 -13.608 7.713 10.453 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -13.421 9.477 12.919 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -13.726 9.968 11.264 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -15.719 9.946 13.032 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -16.010 9.440 11.380 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -15.708 7.743 13.850 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -16.763 7.504 12.472 1.00 0.00 H new ATOM 1309 N VAL A 80 -11.312 7.334 11.116 1.00 0.00 N ATOM 1310 CA VAL A 80 -9.948 6.947 11.457 1.00 0.00 C ATOM 1311 C VAL A 80 -8.978 8.115 11.282 1.00 0.00 C ATOM 1312 O VAL A 80 -7.882 8.110 11.843 1.00 0.00 O ATOM 1313 CB VAL A 80 -9.468 5.762 10.598 1.00 0.00 C ATOM 1314 CG1 VAL A 80 -8.107 5.274 11.069 1.00 0.00 C ATOM 1315 CG2 VAL A 80 -10.486 4.634 10.630 1.00 0.00 C ATOM 0 H VAL A 80 -11.454 7.554 10.130 1.00 0.00 H new ATOM 0 HA VAL A 80 -9.961 6.646 12.505 1.00 0.00 H new ATOM 0 HB VAL A 80 -9.368 6.103 9.567 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -7.786 4.437 10.449 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -7.382 6.084 10.988 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -8.176 4.951 12.108 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -10.130 3.805 10.018 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -10.621 4.295 11.657 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -11.438 4.992 10.238 1.00 0.00 H new ATOM 1325 N VAL A 81 -9.386 9.115 10.505 1.00 0.00 N ATOM 1326 CA VAL A 81 -8.551 10.284 10.263 1.00 0.00 C ATOM 1327 C VAL A 81 -9.382 11.562 10.276 1.00 0.00 C ATOM 1328 O VAL A 81 -10.590 11.531 10.042 1.00 0.00 O ATOM 1329 CB VAL A 81 -7.812 10.179 8.916 1.00 0.00 C ATOM 1330 CG1 VAL A 81 -6.801 11.305 8.770 1.00 0.00 C ATOM 1331 CG2 VAL A 81 -7.137 8.823 8.781 1.00 0.00 C ATOM 0 H VAL A 81 -10.290 9.138 10.033 1.00 0.00 H new ATOM 0 HA VAL A 81 -7.817 10.321 11.068 1.00 0.00 H new ATOM 0 HB VAL A 81 -8.544 10.275 8.114 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -6.290 11.213 7.812 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -7.316 12.265 8.816 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -6.072 11.246 9.578 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -6.620 8.768 7.823 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.418 8.693 9.590 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -7.889 8.035 8.834 1.00 0.00 H new ATOM 1341 N SER A 82 -8.728 12.687 10.549 1.00 0.00 N ATOM 1342 CA SER A 82 -9.409 13.976 10.591 1.00 0.00 C ATOM 1343 C SER A 82 -9.467 14.607 9.203 1.00 0.00 C ATOM 1344 O SER A 82 -8.703 14.240 8.311 1.00 0.00 O ATOM 1345 CB SER A 82 -8.700 14.917 11.565 1.00 0.00 C ATOM 1346 OG SER A 82 -8.715 14.398 12.882 1.00 0.00 O ATOM 0 H SER A 82 -7.728 12.732 10.744 1.00 0.00 H new ATOM 0 HA SER A 82 -10.430 13.810 10.936 1.00 0.00 H new ATOM 0 HB2 SER A 82 -7.670 15.069 11.243 1.00 0.00 H new ATOM 0 HB3 SER A 82 -9.186 15.893 11.550 1.00 0.00 H new ATOM 0 HG SER A 82 -8.253 15.019 13.484 1.00 0.00 H new ATOM 1352 N ALA A 83 -10.378 15.559 9.031 1.00 0.00 N ATOM 1353 CA ALA A 83 -10.537 16.241 7.752 1.00 0.00 C ATOM 1354 C ALA A 83 -9.292 17.054 7.406 1.00 0.00 C ATOM 1355 O ALA A 83 -8.835 17.053 6.264 1.00 0.00 O ATOM 1356 CB ALA A 83 -11.764 17.140 7.784 1.00 0.00 C ATOM 0 H ALA A 83 -11.017 15.875 9.760 1.00 0.00 H new ATOM 0 HA ALA A 83 -10.673 15.485 6.978 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -11.871 17.643 6.823 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -12.651 16.538 7.979 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -11.650 17.884 8.572 1.00 0.00 H new ATOM 1362 N GLN A 84 -8.752 17.749 8.400 1.00 0.00 N ATOM 1363 CA GLN A 84 -7.562 18.568 8.200 1.00 0.00 C ATOM 1364 C GLN A 84 -6.382 17.713 7.747 1.00 0.00 C ATOM 1365 O GLN A 84 -5.548 18.158 6.958 1.00 0.00 O ATOM 1366 CB GLN A 84 -7.207 19.308 9.493 1.00 0.00 C ATOM 1367 CG GLN A 84 -7.078 20.812 9.315 1.00 0.00 C ATOM 1368 CD GLN A 84 -6.706 21.521 10.602 1.00 0.00 C ATOM 1369 OE1 GLN A 84 -6.482 20.886 11.633 1.00 0.00 O ATOM 1370 NE2 GLN A 84 -6.638 22.847 10.550 1.00 0.00 N ATOM 0 H GLN A 84 -9.119 17.762 9.352 1.00 0.00 H new ATOM 0 HA GLN A 84 -7.778 19.297 7.419 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -7.972 19.103 10.241 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -6.268 18.914 9.882 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -6.322 21.021 8.558 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -8.021 21.212 8.943 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -6.831 23.334 9.675 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -6.392 23.378 11.385 1.00 0.00 H new ATOM 1379 N ALA A 85 -6.315 16.487 8.253 1.00 0.00 N ATOM 1380 CA ALA A 85 -5.234 15.573 7.902 1.00 0.00 C ATOM 1381 C ALA A 85 -5.330 15.131 6.446 1.00 0.00 C ATOM 1382 O ALA A 85 -4.336 15.134 5.719 1.00 0.00 O ATOM 1383 CB ALA A 85 -5.247 14.364 8.824 1.00 0.00 C ATOM 0 H ALA A 85 -6.996 16.103 8.908 1.00 0.00 H new ATOM 0 HA ALA A 85 -4.291 16.105 8.027 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -4.435 13.690 8.551 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.116 14.691 9.855 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.199 13.843 8.727 1.00 0.00 H new ATOM 1389 N VAL A 86 -6.530 14.746 6.023 1.00 0.00 N ATOM 1390 CA VAL A 86 -6.748 14.301 4.652 1.00 0.00 C ATOM 1391 C VAL A 86 -6.643 15.460 3.667 1.00 0.00 C ATOM 1392 O VAL A 86 -6.004 15.341 2.622 1.00 0.00 O ATOM 1393 CB VAL A 86 -8.117 13.613 4.487 1.00 0.00 C ATOM 1394 CG1 VAL A 86 -8.172 12.329 5.298 1.00 0.00 C ATOM 1395 CG2 VAL A 86 -9.245 14.552 4.887 1.00 0.00 C ATOM 0 H VAL A 86 -7.365 14.733 6.609 1.00 0.00 H new ATOM 0 HA VAL A 86 -5.964 13.576 4.433 1.00 0.00 H new ATOM 0 HB VAL A 86 -8.246 13.358 3.435 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -9.146 11.858 5.168 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -7.392 11.649 4.956 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -8.017 12.558 6.352 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -10.202 14.045 4.762 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -9.122 14.844 5.930 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -9.220 15.440 4.256 1.00 0.00 H new ATOM 1405 N VAL A 87 -7.272 16.581 4.005 1.00 0.00 N ATOM 1406 CA VAL A 87 -7.243 17.760 3.144 1.00 0.00 C ATOM 1407 C VAL A 87 -5.817 18.273 2.966 1.00 0.00 C ATOM 1408 O VAL A 87 -5.466 18.799 1.910 1.00 0.00 O ATOM 1409 CB VAL A 87 -8.120 18.895 3.709 1.00 0.00 C ATOM 1410 CG1 VAL A 87 -8.140 20.083 2.760 1.00 0.00 C ATOM 1411 CG2 VAL A 87 -9.534 18.398 3.976 1.00 0.00 C ATOM 0 H VAL A 87 -7.807 16.699 4.866 1.00 0.00 H new ATOM 0 HA VAL A 87 -7.642 17.455 2.177 1.00 0.00 H new ATOM 0 HB VAL A 87 -7.687 19.221 4.655 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -8.765 20.872 3.178 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -7.125 20.457 2.624 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -8.544 19.772 1.797 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -10.137 19.214 4.374 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -9.976 18.041 3.046 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -9.503 17.583 4.699 1.00 0.00 H new ATOM 1421 N ALA A 88 -5.003 18.117 4.003 1.00 0.00 N ATOM 1422 CA ALA A 88 -3.615 18.566 3.958 1.00 0.00 C ATOM 1423 C ALA A 88 -2.711 17.523 3.305 1.00 0.00 C ATOM 1424 O ALA A 88 -1.567 17.817 2.953 1.00 0.00 O ATOM 1425 CB ALA A 88 -3.122 18.890 5.360 1.00 0.00 C ATOM 0 H ALA A 88 -5.278 17.684 4.884 1.00 0.00 H new ATOM 0 HA ALA A 88 -3.575 19.469 3.349 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -2.085 19.224 5.313 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -3.739 19.680 5.789 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -3.188 17.999 5.984 1.00 0.00 H new ATOM 1431 N GLY A 89 -3.224 16.305 3.142 1.00 0.00 N ATOM 1432 CA GLY A 89 -2.442 15.247 2.529 1.00 0.00 C ATOM 1433 C GLY A 89 -1.127 15.004 3.243 1.00 0.00 C ATOM 1434 O GLY A 89 -0.158 14.549 2.635 1.00 0.00 O ATOM 0 H GLY A 89 -4.166 16.034 3.424 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -3.024 14.326 2.525 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -2.244 15.503 1.488 1.00 0.00 H new ATOM 1438 N SER A 90 -1.092 15.306 4.536 1.00 0.00 N ATOM 1439 CA SER A 90 0.115 15.118 5.333 1.00 0.00 C ATOM 1440 C SER A 90 -0.045 13.944 6.293 1.00 0.00 C ATOM 1441 O SER A 90 0.445 13.980 7.422 1.00 0.00 O ATOM 1442 CB SER A 90 0.439 16.391 6.116 1.00 0.00 C ATOM 1443 OG SER A 90 -0.126 17.532 5.491 1.00 0.00 O ATOM 0 H SER A 90 -1.886 15.682 5.055 1.00 0.00 H new ATOM 0 HA SER A 90 0.938 14.899 4.653 1.00 0.00 H new ATOM 0 HB2 SER A 90 0.057 16.303 7.133 1.00 0.00 H new ATOM 0 HB3 SER A 90 1.520 16.511 6.190 1.00 0.00 H new ATOM 0 HG SER A 90 0.094 18.333 6.011 1.00 0.00 H new ATOM 1449 N ASP A 91 -0.734 12.901 5.838 1.00 0.00 N ATOM 1450 CA ASP A 91 -0.956 11.716 6.656 1.00 0.00 C ATOM 1451 C ASP A 91 -1.091 10.469 5.784 1.00 0.00 C ATOM 1452 O ASP A 91 -2.144 9.831 5.756 1.00 0.00 O ATOM 1453 CB ASP A 91 -2.210 11.894 7.516 1.00 0.00 C ATOM 1454 CG ASP A 91 -1.895 12.452 8.889 1.00 0.00 C ATOM 1455 OD1 ASP A 91 -1.606 13.664 8.985 1.00 0.00 O ATOM 1456 OD2 ASP A 91 -1.934 11.679 9.869 1.00 0.00 O ATOM 0 H ASP A 91 -1.148 12.854 4.907 1.00 0.00 H new ATOM 0 HA ASP A 91 -0.093 11.586 7.308 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -2.905 12.561 7.006 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -2.712 10.933 7.624 1.00 0.00 H new ATOM 1461 N PRO A 92 -0.021 10.104 5.057 1.00 0.00 N ATOM 1462 CA PRO A 92 -0.025 8.927 4.183 1.00 0.00 C ATOM 1463 C PRO A 92 -0.454 7.662 4.918 1.00 0.00 C ATOM 1464 O PRO A 92 -1.229 6.861 4.397 1.00 0.00 O ATOM 1465 CB PRO A 92 1.432 8.811 3.728 1.00 0.00 C ATOM 1466 CG PRO A 92 1.981 10.190 3.856 1.00 0.00 C ATOM 1467 CD PRO A 92 1.275 10.808 5.032 1.00 0.00 C ATOM 0 HA PRO A 92 -0.733 9.035 3.361 1.00 0.00 H new ATOM 0 HB2 PRO A 92 1.985 8.106 4.348 1.00 0.00 H new ATOM 0 HB3 PRO A 92 1.498 8.452 2.701 1.00 0.00 H new ATOM 0 HG2 PRO A 92 3.059 10.168 4.015 1.00 0.00 H new ATOM 0 HG3 PRO A 92 1.805 10.766 2.948 1.00 0.00 H new ATOM 0 HD2 PRO A 92 1.831 10.661 5.958 1.00 0.00 H new ATOM 0 HD3 PRO A 92 1.147 11.883 4.905 1.00 0.00 H new ATOM 1475 N LEU A 93 0.055 7.490 6.135 1.00 0.00 N ATOM 1476 CA LEU A 93 -0.276 6.323 6.942 1.00 0.00 C ATOM 1477 C LEU A 93 -1.758 6.315 7.305 1.00 0.00 C ATOM 1478 O LEU A 93 -2.408 5.269 7.279 1.00 0.00 O ATOM 1479 CB LEU A 93 0.577 6.300 8.215 1.00 0.00 C ATOM 1480 CG LEU A 93 1.422 5.039 8.405 1.00 0.00 C ATOM 1481 CD1 LEU A 93 2.670 5.099 7.537 1.00 0.00 C ATOM 1482 CD2 LEU A 93 1.797 4.866 9.869 1.00 0.00 C ATOM 0 H LEU A 93 0.697 8.144 6.582 1.00 0.00 H new ATOM 0 HA LEU A 93 -0.062 5.431 6.354 1.00 0.00 H new ATOM 0 HB2 LEU A 93 1.240 7.165 8.206 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -0.081 6.412 9.077 1.00 0.00 H new ATOM 0 HG LEU A 93 0.831 4.177 8.097 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.260 4.194 7.684 1.00 0.00 H new ATOM 0 HD12 LEU A 93 2.381 5.177 6.489 1.00 0.00 H new ATOM 0 HD13 LEU A 93 3.265 5.969 7.815 1.00 0.00 H new ATOM 0 HD21 LEU A 93 2.398 3.964 9.987 1.00 0.00 H new ATOM 0 HD22 LEU A 93 2.371 5.731 10.202 1.00 0.00 H new ATOM 0 HD23 LEU A 93 0.891 4.779 10.469 1.00 0.00 H new ATOM 1494 N GLY A 94 -2.286 7.487 7.641 1.00 0.00 N ATOM 1495 CA GLY A 94 -3.687 7.592 8.002 1.00 0.00 C ATOM 1496 C GLY A 94 -4.609 7.337 6.827 1.00 0.00 C ATOM 1497 O GLY A 94 -5.641 6.681 6.971 1.00 0.00 O ATOM 0 H GLY A 94 -1.769 8.366 7.670 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -3.909 6.878 8.796 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -3.882 8.586 8.404 1.00 0.00 H new ATOM 1501 N LEU A 95 -4.237 7.854 5.661 1.00 0.00 N ATOM 1502 CA LEU A 95 -5.037 7.678 4.455 1.00 0.00 C ATOM 1503 C LEU A 95 -5.192 6.199 4.116 1.00 0.00 C ATOM 1504 O LEU A 95 -6.277 5.745 3.754 1.00 0.00 O ATOM 1505 CB LEU A 95 -4.398 8.424 3.281 1.00 0.00 C ATOM 1506 CG LEU A 95 -5.357 9.300 2.472 1.00 0.00 C ATOM 1507 CD1 LEU A 95 -5.440 10.695 3.074 1.00 0.00 C ATOM 1508 CD2 LEU A 95 -4.914 9.370 1.018 1.00 0.00 C ATOM 0 H LEU A 95 -3.385 8.399 5.526 1.00 0.00 H new ATOM 0 HA LEU A 95 -6.028 8.092 4.641 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -3.593 9.051 3.664 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -3.943 7.694 2.611 1.00 0.00 H new ATOM 0 HG LEU A 95 -6.350 8.851 2.508 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -6.126 11.305 2.486 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -5.802 10.628 4.100 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -4.451 11.153 3.068 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -5.607 9.997 0.456 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -3.912 9.796 0.963 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -4.905 8.367 0.592 1.00 0.00 H new ATOM 1520 N ILE A 96 -4.099 5.451 4.237 1.00 0.00 N ATOM 1521 CA ILE A 96 -4.114 4.024 3.946 1.00 0.00 C ATOM 1522 C ILE A 96 -4.956 3.266 4.965 1.00 0.00 C ATOM 1523 O ILE A 96 -5.708 2.357 4.613 1.00 0.00 O ATOM 1524 CB ILE A 96 -2.688 3.437 3.932 1.00 0.00 C ATOM 1525 CG1 ILE A 96 -1.784 4.256 3.009 1.00 0.00 C ATOM 1526 CG2 ILE A 96 -2.718 1.980 3.495 1.00 0.00 C ATOM 1527 CD1 ILE A 96 -0.319 4.191 3.386 1.00 0.00 C ATOM 0 H ILE A 96 -3.192 5.811 4.535 1.00 0.00 H new ATOM 0 HA ILE A 96 -4.555 3.907 2.956 1.00 0.00 H new ATOM 0 HB ILE A 96 -2.283 3.485 4.943 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -1.904 3.899 1.986 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -2.109 5.296 3.024 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -1.704 1.581 3.490 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -3.331 1.405 4.188 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -3.140 1.909 2.493 1.00 0.00 H new ATOM 0 HD11 ILE A 96 0.263 4.794 2.689 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -0.186 4.575 4.397 1.00 0.00 H new ATOM 0 HD13 ILE A 96 0.022 3.157 3.343 1.00 0.00 H new ATOM 1539 N ALA A 97 -4.826 3.646 6.232 1.00 0.00 N ATOM 1540 CA ALA A 97 -5.576 3.003 7.305 1.00 0.00 C ATOM 1541 C ALA A 97 -7.077 3.167 7.097 1.00 0.00 C ATOM 1542 O ALA A 97 -7.843 2.218 7.270 1.00 0.00 O ATOM 1543 CB ALA A 97 -5.160 3.573 8.652 1.00 0.00 C ATOM 0 H ALA A 97 -4.208 4.396 6.541 1.00 0.00 H new ATOM 0 HA ALA A 97 -5.349 1.937 7.289 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -5.727 3.085 9.445 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -4.095 3.399 8.808 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -5.359 4.645 8.671 1.00 0.00 H new ATOM 1549 N TYR A 98 -7.492 4.373 6.729 1.00 0.00 N ATOM 1550 CA TYR A 98 -8.903 4.659 6.500 1.00 0.00 C ATOM 1551 C TYR A 98 -9.409 3.933 5.258 1.00 0.00 C ATOM 1552 O TYR A 98 -10.500 3.362 5.262 1.00 0.00 O ATOM 1553 CB TYR A 98 -9.124 6.167 6.349 1.00 0.00 C ATOM 1554 CG TYR A 98 -10.561 6.592 6.556 1.00 0.00 C ATOM 1555 CD1 TYR A 98 -11.310 6.086 7.609 1.00 0.00 C ATOM 1556 CD2 TYR A 98 -11.166 7.499 5.695 1.00 0.00 C ATOM 1557 CE1 TYR A 98 -12.623 6.472 7.801 1.00 0.00 C ATOM 1558 CE2 TYR A 98 -12.478 7.892 5.881 1.00 0.00 C ATOM 1559 CZ TYR A 98 -13.202 7.375 6.935 1.00 0.00 C ATOM 1560 OH TYR A 98 -14.510 7.762 7.123 1.00 0.00 O ATOM 0 H TYR A 98 -6.871 5.169 6.583 1.00 0.00 H new ATOM 0 HA TYR A 98 -9.465 4.302 7.363 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -8.492 6.692 7.065 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -8.802 6.475 5.354 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -10.859 5.379 8.290 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -10.602 7.903 4.867 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -13.193 6.068 8.625 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -12.934 8.600 5.205 1.00 0.00 H new ATOM 0 HH TYR A 98 -15.084 7.298 6.478 1.00 0.00 H new ATOM 1570 N LEU A 99 -8.610 3.959 4.197 1.00 0.00 N ATOM 1571 CA LEU A 99 -8.975 3.303 2.947 1.00 0.00 C ATOM 1572 C LEU A 99 -9.196 1.808 3.161 1.00 0.00 C ATOM 1573 O LEU A 99 -10.033 1.193 2.502 1.00 0.00 O ATOM 1574 CB LEU A 99 -7.888 3.524 1.893 1.00 0.00 C ATOM 1575 CG LEU A 99 -8.067 4.775 1.031 1.00 0.00 C ATOM 1576 CD1 LEU A 99 -6.755 5.154 0.361 1.00 0.00 C ATOM 1577 CD2 LEU A 99 -9.153 4.551 -0.010 1.00 0.00 C ATOM 0 H LEU A 99 -7.704 4.428 4.178 1.00 0.00 H new ATOM 0 HA LEU A 99 -9.908 3.743 2.594 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -6.923 3.583 2.396 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -7.855 2.652 1.239 1.00 0.00 H new ATOM 0 HG LEU A 99 -8.372 5.598 1.677 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -6.902 6.046 -0.248 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -6.002 5.355 1.123 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -6.420 4.333 -0.273 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -9.268 5.450 -0.615 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -8.875 3.715 -0.652 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -10.095 4.327 0.490 1.00 0.00 H new ATOM 1589 N SER A 100 -8.440 1.232 4.090 1.00 0.00 N ATOM 1590 CA SER A 100 -8.552 -0.190 4.393 1.00 0.00 C ATOM 1591 C SER A 100 -9.910 -0.509 5.008 1.00 0.00 C ATOM 1592 O SER A 100 -10.492 -1.560 4.742 1.00 0.00 O ATOM 1593 CB SER A 100 -7.434 -0.619 5.343 1.00 0.00 C ATOM 1594 OG SER A 100 -6.171 -0.572 4.701 1.00 0.00 O ATOM 0 H SER A 100 -7.743 1.728 4.646 1.00 0.00 H new ATOM 0 HA SER A 100 -8.458 -0.744 3.459 1.00 0.00 H new ATOM 0 HB2 SER A 100 -7.425 0.033 6.217 1.00 0.00 H new ATOM 0 HB3 SER A 100 -7.626 -1.630 5.701 1.00 0.00 H new ATOM 0 HG SER A 100 -5.889 0.361 4.602 1.00 0.00 H new ATOM 1600 N HIS A 101 -10.409 0.404 5.835 1.00 0.00 N ATOM 1601 CA HIS A 101 -11.700 0.220 6.489 1.00 0.00 C ATOM 1602 C HIS A 101 -12.839 0.319 5.478 1.00 0.00 C ATOM 1603 O HIS A 101 -13.758 -0.500 5.482 1.00 0.00 O ATOM 1604 CB HIS A 101 -11.887 1.262 7.595 1.00 0.00 C ATOM 1605 CG HIS A 101 -12.300 0.670 8.907 1.00 0.00 C ATOM 1606 ND1 HIS A 101 -11.880 -0.571 9.340 1.00 0.00 N ATOM 1607 CD2 HIS A 101 -13.099 1.157 9.886 1.00 0.00 C ATOM 1608 CE1 HIS A 101 -12.404 -0.820 10.527 1.00 0.00 C ATOM 1609 NE2 HIS A 101 -13.147 0.209 10.881 1.00 0.00 N ATOM 0 H HIS A 101 -9.939 1.279 6.068 1.00 0.00 H new ATOM 0 HA HIS A 101 -11.719 -0.776 6.933 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -10.954 1.809 7.730 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -12.638 1.986 7.279 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -13.604 2.112 9.885 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -12.249 -1.716 11.109 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -13.672 0.289 11.752 1.00 0.00 H new ATOM 1618 N PHE A 102 -12.771 1.327 4.615 1.00 0.00 N ATOM 1619 CA PHE A 102 -13.794 1.533 3.598 1.00 0.00 C ATOM 1620 C PHE A 102 -13.758 0.420 2.556 1.00 0.00 C ATOM 1621 O PHE A 102 -14.798 -0.009 2.055 1.00 0.00 O ATOM 1622 CB PHE A 102 -13.601 2.891 2.917 1.00 0.00 C ATOM 1623 CG PHE A 102 -14.422 3.990 3.528 1.00 0.00 C ATOM 1624 CD1 PHE A 102 -14.265 4.330 4.862 1.00 0.00 C ATOM 1625 CD2 PHE A 102 -15.348 4.685 2.767 1.00 0.00 C ATOM 1626 CE1 PHE A 102 -15.019 5.341 5.427 1.00 0.00 C ATOM 1627 CE2 PHE A 102 -16.105 5.697 3.326 1.00 0.00 C ATOM 1628 CZ PHE A 102 -15.940 6.026 4.659 1.00 0.00 C ATOM 0 H PHE A 102 -12.017 2.014 4.600 1.00 0.00 H new ATOM 0 HA PHE A 102 -14.767 1.515 4.089 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -12.547 3.166 2.965 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -13.859 2.799 1.862 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -13.545 3.799 5.467 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -15.480 4.433 1.725 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -14.888 5.595 6.468 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -16.825 6.230 2.723 1.00 0.00 H new ATOM 0 HZ PHE A 102 -16.530 6.817 5.098 1.00 0.00 H new ATOM 1638 N HIS A 103 -12.555 -0.042 2.233 1.00 0.00 N ATOM 1639 CA HIS A 103 -12.383 -1.105 1.250 1.00 0.00 C ATOM 1640 C HIS A 103 -13.047 -2.395 1.718 1.00 0.00 C ATOM 1641 O HIS A 103 -13.827 -3.003 0.986 1.00 0.00 O ATOM 1642 CB HIS A 103 -10.895 -1.349 0.990 1.00 0.00 C ATOM 1643 CG HIS A 103 -10.621 -2.057 -0.301 1.00 0.00 C ATOM 1644 ND1 HIS A 103 -9.348 -2.256 -0.794 1.00 0.00 N ATOM 1645 CD2 HIS A 103 -11.464 -2.615 -1.201 1.00 0.00 C ATOM 1646 CE1 HIS A 103 -9.421 -2.905 -1.942 1.00 0.00 C ATOM 1647 NE2 HIS A 103 -10.692 -3.136 -2.212 1.00 0.00 N ATOM 0 H HIS A 103 -11.685 0.303 2.638 1.00 0.00 H new ATOM 0 HA HIS A 103 -12.862 -0.789 0.323 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -10.373 -0.392 0.988 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -10.482 -1.935 1.811 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -12.542 -2.645 -1.137 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -8.582 -3.197 -2.556 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -11.044 -3.622 -3.037 1.00 0.00 H new ATOM 1656 N SER A 104 -12.732 -2.809 2.941 1.00 0.00 N ATOM 1657 CA SER A 104 -13.296 -4.029 3.506 1.00 0.00 C ATOM 1658 C SER A 104 -14.806 -3.902 3.680 1.00 0.00 C ATOM 1659 O SER A 104 -15.556 -4.826 3.365 1.00 0.00 O ATOM 1660 CB SER A 104 -12.641 -4.344 4.852 1.00 0.00 C ATOM 1661 OG SER A 104 -12.525 -3.177 5.648 1.00 0.00 O ATOM 0 H SER A 104 -12.088 -2.317 3.560 1.00 0.00 H new ATOM 0 HA SER A 104 -13.096 -4.846 2.812 1.00 0.00 H new ATOM 0 HB2 SER A 104 -13.232 -5.092 5.381 1.00 0.00 H new ATOM 0 HB3 SER A 104 -11.654 -4.775 4.687 1.00 0.00 H new ATOM 0 HG SER A 104 -11.711 -2.692 5.400 1.00 0.00 H new ATOM 1667 N ALA A 105 -15.245 -2.756 4.187 1.00 0.00 N ATOM 1668 CA ALA A 105 -16.666 -2.513 4.405 1.00 0.00 C ATOM 1669 C ALA A 105 -17.425 -2.456 3.083 1.00 0.00 C ATOM 1670 O ALA A 105 -18.503 -3.037 2.949 1.00 0.00 O ATOM 1671 CB ALA A 105 -16.867 -1.221 5.184 1.00 0.00 C ATOM 0 H ALA A 105 -14.638 -1.981 4.455 1.00 0.00 H new ATOM 0 HA ALA A 105 -17.064 -3.344 4.987 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -17.933 -1.052 5.340 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -16.367 -1.297 6.149 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -16.446 -0.388 4.622 1.00 0.00 H new ATOM 1677 N PHE A 106 -16.856 -1.754 2.108 1.00 0.00 N ATOM 1678 CA PHE A 106 -17.479 -1.621 0.797 1.00 0.00 C ATOM 1679 C PHE A 106 -17.535 -2.968 0.080 1.00 0.00 C ATOM 1680 O PHE A 106 -18.441 -3.220 -0.715 1.00 0.00 O ATOM 1681 CB PHE A 106 -16.707 -0.609 -0.052 1.00 0.00 C ATOM 1682 CG PHE A 106 -17.042 0.823 0.262 1.00 0.00 C ATOM 1683 CD1 PHE A 106 -17.191 1.245 1.574 1.00 0.00 C ATOM 1684 CD2 PHE A 106 -17.208 1.746 -0.756 1.00 0.00 C ATOM 1685 CE1 PHE A 106 -17.496 2.561 1.863 1.00 0.00 C ATOM 1686 CE2 PHE A 106 -17.514 3.063 -0.475 1.00 0.00 C ATOM 1687 CZ PHE A 106 -17.659 3.472 0.837 1.00 0.00 C ATOM 0 H PHE A 106 -15.964 -1.268 2.202 1.00 0.00 H new ATOM 0 HA PHE A 106 -18.499 -1.265 0.939 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -15.638 -0.764 0.096 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -16.914 -0.799 -1.105 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -17.067 0.537 2.380 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -17.097 1.432 -1.783 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -17.607 2.877 2.890 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -17.640 3.772 -1.280 1.00 0.00 H new ATOM 0 HZ PHE A 106 -17.899 4.501 1.060 1.00 0.00 H new ATOM 1697 N LYS A 107 -16.562 -3.828 0.365 1.00 0.00 N ATOM 1698 CA LYS A 107 -16.504 -5.147 -0.254 1.00 0.00 C ATOM 1699 C LYS A 107 -17.577 -6.069 0.320 1.00 0.00 C ATOM 1700 O LYS A 107 -18.054 -6.979 -0.357 1.00 0.00 O ATOM 1701 CB LYS A 107 -15.119 -5.767 -0.053 1.00 0.00 C ATOM 1702 CG LYS A 107 -14.415 -6.114 -1.356 1.00 0.00 C ATOM 1703 CD LYS A 107 -12.959 -5.677 -1.338 1.00 0.00 C ATOM 1704 CE LYS A 107 -12.136 -6.520 -0.377 1.00 0.00 C ATOM 1705 NZ LYS A 107 -10.705 -6.110 -0.363 1.00 0.00 N ATOM 0 H LYS A 107 -15.804 -3.635 1.020 1.00 0.00 H new ATOM 0 HA LYS A 107 -16.690 -5.027 -1.321 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -14.498 -5.073 0.513 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -15.218 -6.670 0.549 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -14.471 -7.189 -1.525 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -14.930 -5.633 -2.188 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -12.542 -5.756 -2.342 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -12.896 -4.628 -1.049 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -12.549 -6.432 0.628 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -12.210 -7.570 -0.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -10.132 -6.835 -0.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -10.599 -5.202 -0.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -10.383 -6.006 0.621 1.00 0.00 H new ATOM 1719 N SER A 108 -17.951 -5.828 1.573 1.00 0.00 N ATOM 1720 CA SER A 108 -18.966 -6.637 2.237 1.00 0.00 C ATOM 1721 C SER A 108 -20.334 -5.966 2.163 1.00 0.00 C ATOM 1722 O SER A 108 -21.115 -6.016 3.113 1.00 0.00 O ATOM 1723 CB SER A 108 -18.582 -6.877 3.699 1.00 0.00 C ATOM 1724 OG SER A 108 -17.764 -8.027 3.828 1.00 0.00 O ATOM 0 H SER A 108 -17.566 -5.079 2.148 1.00 0.00 H new ATOM 0 HA SER A 108 -19.024 -7.595 1.721 1.00 0.00 H new ATOM 0 HB2 SER A 108 -18.054 -6.006 4.088 1.00 0.00 H new ATOM 0 HB3 SER A 108 -19.483 -6.998 4.300 1.00 0.00 H new ATOM 0 HG SER A 108 -17.531 -8.158 4.771 1.00 0.00 H new ATOM 1730 N MET A 109 -20.618 -5.336 1.027 1.00 0.00 N ATOM 1731 CA MET A 109 -21.891 -4.654 0.827 1.00 0.00 C ATOM 1732 C MET A 109 -22.699 -5.323 -0.281 1.00 0.00 C ATOM 1733 O MET A 109 -22.240 -5.299 -1.443 1.00 0.00 O ATOM 1734 CB MET A 109 -21.657 -3.181 0.487 1.00 0.00 C ATOM 1735 CG MET A 109 -22.815 -2.276 0.872 1.00 0.00 C ATOM 1736 SD MET A 109 -23.902 -1.908 -0.520 1.00 0.00 S ATOM 1737 CE MET A 109 -25.449 -1.603 0.330 1.00 0.00 C ATOM 1738 OXT MET A 109 -23.782 -5.864 0.022 1.00 0.00 O ATOM 0 H MET A 109 -19.983 -5.284 0.231 1.00 0.00 H new ATOM 0 HA MET A 109 -22.459 -4.719 1.755 1.00 0.00 H new ATOM 0 HB2 MET A 109 -20.755 -2.839 0.994 1.00 0.00 H new ATOM 0 HB3 MET A 109 -21.475 -3.088 -0.584 1.00 0.00 H new ATOM 0 HG2 MET A 109 -23.394 -2.750 1.664 1.00 0.00 H new ATOM 0 HG3 MET A 109 -22.423 -1.344 1.278 1.00 0.00 H new ATOM 0 HE1 MET A 109 -26.223 -1.361 -0.399 1.00 0.00 H new ATOM 0 HE2 MET A 109 -25.740 -2.494 0.887 1.00 0.00 H new ATOM 0 HE3 MET A 109 -25.327 -0.768 1.020 1.00 0.00 H new TER 1748 MET A 109