USER MOD reduce.3.24.130724 H: found=0, std=0, add=862, rem=0, adj=26 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 -1 HIS :FLIP no HD1:sc= -1.08 F(o=-2.2,f=-1.7) USER MOD Set 1.2: A -3 HIS : no HE2:sc= -0.591 K(o=-1.7,f=-3.1) 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 37:sc= 1.23 USER MOD Single : A 6 GLN : amide:sc= -4.22! C(o=-4.2!,f=-16!) USER MOD Single : A -2 HIS :FLIP no HD1:sc= -0.606 F(o=-1.1,f=-0.61) USER MOD Single : A -4 HIS : no HD1:sc= 0 X(o=0,f=-0.002) USER MOD Single : A -5 HIS : no HD1:sc= -0.285 K(o=-0.28,f=-1.4) USER MOD Single : A -6 HIS : no HD1:sc= 0 X(o=0,f=-0.072) USER MOD Single : A -8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -8 MET N :NH3+ -179:sc= -0.146 (180deg=-0.146) USER MOD Single : A 13 CYS SG : rot -172:sc= 0.589 USER MOD Single : A 14 GLN : amide:sc= -1.2 X(o=-1.2,f=-0.88) USER MOD Single : A 16 GLN : amide:sc= -0.838 K(o=-0.84,f=-5.4!) USER MOD Single : A 17 THR OG1 : rot -101:sc= -0.391! USER MOD Single : A 20 TYR OH : rot 22:sc= 0.0489 USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 26 SER OG : rot 27:sc= 0.197 USER MOD Single : A 29 SER OG : rot -10:sc= 0.82 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -50:sc= -0.985 USER MOD Single : A 39 CYS SG : rot 95:sc= -1.48 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.298 K(o=-0.3,f=-4.5!) 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 74:sc= 0.662 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= -0.177 K(o=-0.18,f=-1.7!) 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 X(o=0,f=-0.019) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot -130:sc= -1.26 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 103 HIS :FLIP no HE2:sc= -4.28! C(o=-5.9!,f=-4.3!) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.00617) USER MOD Single : A 108 SER OG : rot 89:sc= 1.19 USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -8 25.316 -7.333 -7.264 1.00 0.00 N ATOM 2 CA MET A -8 23.908 -7.546 -7.693 1.00 0.00 C ATOM 3 C MET A -8 23.093 -8.229 -6.598 1.00 0.00 C ATOM 4 O MET A -8 21.907 -7.948 -6.427 1.00 0.00 O ATOM 5 CB MET A -8 23.909 -8.400 -8.964 1.00 0.00 C ATOM 6 CG MET A -8 24.366 -9.833 -8.741 1.00 0.00 C ATOM 7 SD MET A -8 24.252 -10.838 -10.234 1.00 0.00 S ATOM 8 CE MET A -8 23.554 -12.350 -9.573 1.00 0.00 C ATOM 0 H1 MET A -8 25.841 -6.852 -8.022 1.00 0.00 H new ATOM 0 H2 MET A -8 25.332 -6.746 -6.405 1.00 0.00 H new ATOM 0 H3 MET A -8 25.761 -8.252 -7.064 1.00 0.00 H new ATOM 0 HA MET A -8 23.444 -6.579 -7.890 1.00 0.00 H new ATOM 0 HB2 MET A -8 22.903 -8.411 -9.384 1.00 0.00 H new ATOM 0 HB3 MET A -8 24.559 -7.932 -9.704 1.00 0.00 H new ATOM 0 HG2 MET A -8 25.397 -9.831 -8.387 1.00 0.00 H new ATOM 0 HG3 MET A -8 23.760 -10.286 -7.956 1.00 0.00 H new ATOM 0 HE1 MET A -8 23.423 -13.073 -10.378 1.00 0.00 H new ATOM 0 HE2 MET A -8 24.226 -12.763 -8.821 1.00 0.00 H new ATOM 0 HE3 MET A -8 22.587 -12.136 -9.117 1.00 0.00 H new ATOM 20 N GLY A -7 23.736 -9.125 -5.857 1.00 0.00 N ATOM 21 CA GLY A -7 23.055 -9.832 -4.788 1.00 0.00 C ATOM 22 C GLY A -7 23.922 -9.997 -3.556 1.00 0.00 C ATOM 23 O GLY A -7 24.936 -10.694 -3.591 1.00 0.00 O ATOM 0 H GLY A -7 24.718 -9.375 -5.978 1.00 0.00 H new ATOM 0 HA2 GLY A -7 22.147 -9.291 -4.520 1.00 0.00 H new ATOM 0 HA3 GLY A -7 22.747 -10.814 -5.145 1.00 0.00 H new ATOM 27 N HIS A -6 23.522 -9.354 -2.462 1.00 0.00 N ATOM 28 CA HIS A -6 24.270 -9.434 -1.214 1.00 0.00 C ATOM 29 C HIS A -6 23.330 -9.410 -0.012 1.00 0.00 C ATOM 30 O HIS A -6 23.322 -10.333 0.800 1.00 0.00 O ATOM 31 CB HIS A -6 25.269 -8.279 -1.119 1.00 0.00 C ATOM 32 CG HIS A -6 26.624 -8.613 -1.664 1.00 0.00 C ATOM 33 ND1 HIS A -6 27.431 -9.594 -1.126 1.00 0.00 N ATOM 34 CD2 HIS A -6 27.314 -8.090 -2.705 1.00 0.00 C ATOM 35 CE1 HIS A -6 28.558 -9.659 -1.814 1.00 0.00 C ATOM 36 NE2 HIS A -6 28.511 -8.758 -2.776 1.00 0.00 N ATOM 0 H HIS A -6 22.685 -8.773 -2.416 1.00 0.00 H new ATOM 0 HA HIS A -6 24.815 -10.378 -1.206 1.00 0.00 H new ATOM 0 HB2 HIS A -6 24.871 -7.420 -1.659 1.00 0.00 H new ATOM 0 HB3 HIS A -6 25.369 -7.981 -0.075 1.00 0.00 H new ATOM 0 HD2 HIS A -6 26.984 -7.295 -3.358 1.00 0.00 H new ATOM 0 HE1 HIS A -6 29.378 -10.335 -1.621 1.00 0.00 H new ATOM 0 HE2 HIS A -6 29.246 -8.585 -3.462 1.00 0.00 H new ATOM 45 N HIS A -5 22.541 -8.346 0.092 1.00 0.00 N ATOM 46 CA HIS A -5 21.597 -8.201 1.194 1.00 0.00 C ATOM 47 C HIS A -5 20.158 -8.316 0.698 1.00 0.00 C ATOM 48 O HIS A -5 19.300 -7.506 1.051 1.00 0.00 O ATOM 49 CB HIS A -5 21.803 -6.857 1.896 1.00 0.00 C ATOM 50 CG HIS A -5 21.279 -6.828 3.298 1.00 0.00 C ATOM 51 ND1 HIS A -5 20.235 -7.621 3.727 1.00 0.00 N ATOM 52 CD2 HIS A -5 21.659 -6.096 4.373 1.00 0.00 C ATOM 53 CE1 HIS A -5 19.996 -7.378 5.004 1.00 0.00 C ATOM 54 NE2 HIS A -5 20.847 -6.458 5.419 1.00 0.00 N ATOM 0 H HIS A -5 22.536 -7.572 -0.573 1.00 0.00 H new ATOM 0 HA HIS A -5 21.781 -9.006 1.906 1.00 0.00 H new ATOM 0 HB2 HIS A -5 22.867 -6.623 1.910 1.00 0.00 H new ATOM 0 HB3 HIS A -5 21.312 -6.075 1.317 1.00 0.00 H new ATOM 0 HD2 HIS A -5 22.453 -5.364 4.402 1.00 0.00 H new ATOM 0 HE1 HIS A -5 19.234 -7.851 5.606 1.00 0.00 H new ATOM 0 HE2 HIS A -5 20.894 -6.078 6.364 1.00 0.00 H new ATOM 63 N HIS A -4 19.900 -9.329 -0.122 1.00 0.00 N ATOM 64 CA HIS A -4 18.564 -9.551 -0.665 1.00 0.00 C ATOM 65 C HIS A -4 18.112 -8.359 -1.502 1.00 0.00 C ATOM 66 O HIS A -4 18.625 -7.251 -1.350 1.00 0.00 O ATOM 67 CB HIS A -4 17.567 -9.804 0.465 1.00 0.00 C ATOM 68 CG HIS A -4 17.845 -11.051 1.244 1.00 0.00 C ATOM 69 ND1 HIS A -4 18.249 -11.043 2.562 1.00 0.00 N ATOM 70 CD2 HIS A -4 17.777 -12.355 0.883 1.00 0.00 C ATOM 71 CE1 HIS A -4 18.417 -12.286 2.979 1.00 0.00 C ATOM 72 NE2 HIS A -4 18.137 -13.100 1.979 1.00 0.00 N ATOM 0 H HIS A -4 20.597 -10.009 -0.425 1.00 0.00 H new ATOM 0 HA HIS A -4 18.602 -10.430 -1.309 1.00 0.00 H new ATOM 0 HB2 HIS A -4 17.577 -8.952 1.144 1.00 0.00 H new ATOM 0 HB3 HIS A -4 16.563 -9.865 0.045 1.00 0.00 H new ATOM 0 HD2 HIS A -4 17.493 -12.737 -0.086 1.00 0.00 H new ATOM 0 HE1 HIS A -4 18.730 -12.584 3.969 1.00 0.00 H new ATOM 0 HE2 HIS A -4 18.181 -14.118 2.014 1.00 0.00 H new ATOM 81 N HIS A -3 17.145 -8.596 -2.383 1.00 0.00 N ATOM 82 CA HIS A -3 16.621 -7.541 -3.243 1.00 0.00 C ATOM 83 C HIS A -3 15.102 -7.626 -3.342 1.00 0.00 C ATOM 84 O HIS A -3 14.552 -8.641 -3.771 1.00 0.00 O ATOM 85 CB HIS A -3 17.240 -7.636 -4.638 1.00 0.00 C ATOM 86 CG HIS A -3 16.892 -6.482 -5.526 1.00 0.00 C ATOM 87 ND1 HIS A -3 16.396 -5.286 -5.047 1.00 0.00 N ATOM 88 CD2 HIS A -3 16.970 -6.343 -6.872 1.00 0.00 C ATOM 89 CE1 HIS A -3 16.185 -4.464 -6.060 1.00 0.00 C ATOM 90 NE2 HIS A -3 16.524 -5.080 -7.177 1.00 0.00 N ATOM 0 H HIS A -3 16.709 -9.508 -2.520 1.00 0.00 H new ATOM 0 HA HIS A -3 16.886 -6.581 -2.801 1.00 0.00 H new ATOM 0 HB2 HIS A -3 18.324 -7.696 -4.542 1.00 0.00 H new ATOM 0 HB3 HIS A -3 16.910 -8.561 -5.111 1.00 0.00 H new ATOM 0 HD1 HIS A -3 16.220 -5.071 -4.066 1.00 0.00 H new ATOM 0 HD2 HIS A -3 17.318 -7.087 -7.574 1.00 0.00 H new ATOM 0 HE1 HIS A -3 15.800 -3.458 -5.986 1.00 0.00 H new ATOM 99 N HIS A -2 14.427 -6.552 -2.943 1.00 0.00 N ATOM 100 CA HIS A -2 12.971 -6.504 -2.989 1.00 0.00 C ATOM 101 C HIS A -2 12.494 -5.553 -4.081 1.00 0.00 C ATOM 102 O HIS A -2 11.433 -5.755 -4.674 1.00 0.00 O ATOM 103 CB HIS A -2 12.413 -6.065 -1.633 1.00 0.00 C ATOM 104 CG HIS A -2 10.964 -6.393 -1.447 1.00 0.00 C ATOM 105 ND1 HIS A -2 10.017 -5.813 -0.671 1.00 0.00 N flip ATOM 106 CD2 HIS A -2 10.336 -7.432 -2.102 1.00 0.00 C flip ATOM 107 CE1 HIS A -2 8.848 -6.505 -0.871 1.00 0.00 C flip ATOM 108 NE2 HIS A -2 9.067 -7.476 -1.738 1.00 0.00 N flip ATOM 0 H HIS A -2 14.866 -5.704 -2.584 1.00 0.00 H new ATOM 0 HA HIS A -2 12.604 -7.505 -3.218 1.00 0.00 H new ATOM 0 HB2 HIS A -2 12.990 -6.542 -0.840 1.00 0.00 H new ATOM 0 HB3 HIS A -2 12.550 -4.989 -1.524 1.00 0.00 H new ATOM 0 HD2 HIS A -2 10.808 -8.104 -2.803 1.00 0.00 H new ATOM 0 HE1 HIS A -2 7.902 -6.290 -0.396 1.00 0.00 H new ATOM 0 HE2 HIS A -2 8.374 -8.146 -2.070 1.00 0.00 H new ATOM 117 N HIS A -1 13.284 -4.516 -4.343 1.00 0.00 N ATOM 118 CA HIS A -1 12.947 -3.530 -5.366 1.00 0.00 C ATOM 119 C HIS A -1 11.704 -2.739 -4.971 1.00 0.00 C ATOM 120 O HIS A -1 11.796 -1.581 -4.566 1.00 0.00 O ATOM 121 CB HIS A -1 12.728 -4.218 -6.717 1.00 0.00 C ATOM 122 CG HIS A -1 13.610 -3.690 -7.806 1.00 0.00 C ATOM 123 ND1 HIS A -1 14.128 -4.297 -8.901 1.00 0.00 N flip ATOM 124 CD2 HIS A -1 14.062 -2.386 -7.843 1.00 0.00 C flip ATOM 125 CE1 HIS A -1 14.873 -3.358 -9.571 1.00 0.00 C flip ATOM 126 NE2 HIS A -1 14.817 -2.215 -8.914 1.00 0.00 N flip ATOM 0 H HIS A -1 14.164 -4.336 -3.860 1.00 0.00 H new ATOM 0 HA HIS A -1 13.782 -2.835 -5.455 1.00 0.00 H new ATOM 0 HB2 HIS A -1 12.904 -5.288 -6.604 1.00 0.00 H new ATOM 0 HB3 HIS A -1 11.686 -4.096 -7.013 1.00 0.00 H new ATOM 0 HD2 HIS A -1 13.834 -1.625 -7.111 1.00 0.00 H new ATOM 0 HE1 HIS A -1 15.417 -3.528 -10.488 1.00 0.00 H new ATOM 0 HE2 HIS A -1 15.278 -1.347 -9.187 1.00 0.00 H new ATOM 135 N MET A 0 10.542 -3.371 -5.095 1.00 0.00 N ATOM 136 CA MET A 0 9.280 -2.724 -4.752 1.00 0.00 C ATOM 137 C MET A 0 8.724 -3.276 -3.443 1.00 0.00 C ATOM 138 O MET A 0 9.347 -4.119 -2.798 1.00 0.00 O ATOM 139 CB MET A 0 8.261 -2.919 -5.876 1.00 0.00 C ATOM 140 CG MET A 0 8.335 -1.851 -6.955 1.00 0.00 C ATOM 141 SD MET A 0 7.709 -0.255 -6.397 1.00 0.00 S ATOM 142 CE MET A 0 8.232 0.805 -7.742 1.00 0.00 C ATOM 0 H MET A 0 10.447 -4.330 -5.430 1.00 0.00 H new ATOM 0 HA MET A 0 9.469 -1.658 -4.624 1.00 0.00 H new ATOM 0 HB2 MET A 0 8.418 -3.896 -6.332 1.00 0.00 H new ATOM 0 HB3 MET A 0 7.258 -2.924 -5.449 1.00 0.00 H new ATOM 0 HG2 MET A 0 9.370 -1.738 -7.278 1.00 0.00 H new ATOM 0 HG3 MET A 0 7.763 -2.178 -7.824 1.00 0.00 H new ATOM 0 HE1 MET A 0 7.917 1.829 -7.542 1.00 0.00 H new ATOM 0 HE2 MET A 0 9.318 0.770 -7.831 1.00 0.00 H new ATOM 0 HE3 MET A 0 7.780 0.462 -8.673 1.00 0.00 H new ATOM 152 N GLY A 1 7.545 -2.795 -3.059 1.00 0.00 N ATOM 153 CA GLY A 1 6.924 -3.251 -1.829 1.00 0.00 C ATOM 154 C GLY A 1 5.920 -2.255 -1.283 1.00 0.00 C ATOM 155 O GLY A 1 4.735 -2.563 -1.159 1.00 0.00 O ATOM 0 H GLY A 1 7.010 -2.098 -3.577 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.425 -4.204 -2.009 1.00 0.00 H new ATOM 0 HA3 GLY A 1 7.696 -3.431 -1.081 1.00 0.00 H new ATOM 159 N SER A 2 6.395 -1.056 -0.957 1.00 0.00 N ATOM 160 CA SER A 2 5.531 -0.012 -0.422 1.00 0.00 C ATOM 161 C SER A 2 4.681 0.609 -1.526 1.00 0.00 C ATOM 162 O SER A 2 3.455 0.494 -1.519 1.00 0.00 O ATOM 163 CB SER A 2 6.368 1.070 0.262 1.00 0.00 C ATOM 164 OG SER A 2 5.718 1.563 1.420 1.00 0.00 O ATOM 0 H SER A 2 7.373 -0.785 -1.055 1.00 0.00 H new ATOM 0 HA SER A 2 4.866 -0.466 0.312 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.342 0.663 0.534 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.548 1.889 -0.434 1.00 0.00 H new ATOM 0 HG SER A 2 6.275 2.252 1.839 1.00 0.00 H new ATOM 170 N ALA A 3 5.340 1.269 -2.474 1.00 0.00 N ATOM 171 CA ALA A 3 4.646 1.908 -3.585 1.00 0.00 C ATOM 172 C ALA A 3 3.835 0.893 -4.385 1.00 0.00 C ATOM 173 O ALA A 3 2.804 1.227 -4.966 1.00 0.00 O ATOM 174 CB ALA A 3 5.641 2.620 -4.488 1.00 0.00 C ATOM 0 H ALA A 3 6.354 1.375 -2.494 1.00 0.00 H new ATOM 0 HA ALA A 3 3.954 2.643 -3.174 1.00 0.00 H new ATOM 0 HB1 ALA A 3 5.109 3.093 -5.314 1.00 0.00 H new ATOM 0 HB2 ALA A 3 6.172 3.380 -3.916 1.00 0.00 H new ATOM 0 HB3 ALA A 3 6.356 1.898 -4.883 1.00 0.00 H new ATOM 180 N GLY A 4 4.309 -0.349 -4.407 1.00 0.00 N ATOM 181 CA GLY A 4 3.616 -1.393 -5.139 1.00 0.00 C ATOM 182 C GLY A 4 2.217 -1.643 -4.609 1.00 0.00 C ATOM 183 O GLY A 4 1.277 -1.824 -5.383 1.00 0.00 O ATOM 0 H GLY A 4 5.160 -0.651 -3.932 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.558 -1.117 -6.192 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.193 -2.316 -5.083 1.00 0.00 H new ATOM 187 N THR A 5 2.080 -1.654 -3.287 1.00 0.00 N ATOM 188 CA THR A 5 0.786 -1.885 -2.655 1.00 0.00 C ATOM 189 C THR A 5 -0.114 -0.662 -2.798 1.00 0.00 C ATOM 190 O THR A 5 -1.333 -0.786 -2.918 1.00 0.00 O ATOM 191 CB THR A 5 0.972 -2.227 -1.176 1.00 0.00 C ATOM 192 OG1 THR A 5 2.096 -1.551 -0.642 1.00 0.00 O ATOM 193 CG2 THR A 5 1.164 -3.707 -0.924 1.00 0.00 C ATOM 0 H THR A 5 2.849 -1.506 -2.633 1.00 0.00 H new ATOM 0 HA THR A 5 0.308 -2.726 -3.157 1.00 0.00 H new ATOM 0 HB THR A 5 0.051 -1.908 -0.688 1.00 0.00 H new ATOM 0 HG1 THR A 5 2.160 -0.658 -1.040 1.00 0.00 H new ATOM 0 HG21 THR A 5 1.290 -3.881 0.145 1.00 0.00 H new ATOM 0 HG22 THR A 5 0.290 -4.253 -1.280 1.00 0.00 H new ATOM 0 HG23 THR A 5 2.050 -4.055 -1.455 1.00 0.00 H new ATOM 201 N GLN A 6 0.495 0.518 -2.781 1.00 0.00 N ATOM 202 CA GLN A 6 -0.248 1.766 -2.908 1.00 0.00 C ATOM 203 C GLN A 6 -0.941 1.859 -4.264 1.00 0.00 C ATOM 204 O GLN A 6 -2.017 2.445 -4.383 1.00 0.00 O ATOM 205 CB GLN A 6 0.689 2.960 -2.718 1.00 0.00 C ATOM 206 CG GLN A 6 1.355 3.001 -1.352 1.00 0.00 C ATOM 207 CD GLN A 6 0.359 3.156 -0.221 1.00 0.00 C ATOM 208 OE1 GLN A 6 -0.398 4.126 -0.175 1.00 0.00 O ATOM 209 NE2 GLN A 6 0.353 2.199 0.698 1.00 0.00 N ATOM 0 H GLN A 6 1.503 0.637 -2.680 1.00 0.00 H new ATOM 0 HA GLN A 6 -1.013 1.783 -2.132 1.00 0.00 H new ATOM 0 HB2 GLN A 6 1.460 2.932 -3.488 1.00 0.00 H new ATOM 0 HB3 GLN A 6 0.125 3.881 -2.865 1.00 0.00 H new ATOM 0 HG2 GLN A 6 1.927 2.085 -1.204 1.00 0.00 H new ATOM 0 HG3 GLN A 6 2.064 3.828 -1.323 1.00 0.00 H new ATOM 0 HE21 GLN A 6 0.998 1.413 0.620 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -0.297 2.249 1.483 1.00 0.00 H new ATOM 218 N GLU A 7 -0.311 1.286 -5.284 1.00 0.00 N ATOM 219 CA GLU A 7 -0.863 1.312 -6.634 1.00 0.00 C ATOM 220 C GLU A 7 -2.200 0.581 -6.701 1.00 0.00 C ATOM 221 O GLU A 7 -3.166 1.085 -7.274 1.00 0.00 O ATOM 222 CB GLU A 7 0.122 0.684 -7.621 1.00 0.00 C ATOM 223 CG GLU A 7 -0.178 1.014 -9.074 1.00 0.00 C ATOM 224 CD GLU A 7 0.905 0.530 -10.019 1.00 0.00 C ATOM 225 OE1 GLU A 7 1.995 1.137 -10.033 1.00 0.00 O ATOM 226 OE2 GLU A 7 0.663 -0.459 -10.743 1.00 0.00 O ATOM 0 H GLU A 7 0.581 0.798 -5.202 1.00 0.00 H new ATOM 0 HA GLU A 7 -1.031 2.354 -6.905 1.00 0.00 H new ATOM 0 HB2 GLU A 7 1.130 1.023 -7.381 1.00 0.00 H new ATOM 0 HB3 GLU A 7 0.111 -0.398 -7.493 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -1.129 0.563 -9.356 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -0.293 2.093 -9.181 1.00 0.00 H new ATOM 233 N GLU A 8 -2.252 -0.613 -6.115 1.00 0.00 N ATOM 234 CA GLU A 8 -3.476 -1.408 -6.117 1.00 0.00 C ATOM 235 C GLU A 8 -4.562 -0.744 -5.278 1.00 0.00 C ATOM 236 O GLU A 8 -5.751 -0.871 -5.573 1.00 0.00 O ATOM 237 CB GLU A 8 -3.197 -2.821 -5.596 1.00 0.00 C ATOM 238 CG GLU A 8 -2.779 -2.862 -4.135 1.00 0.00 C ATOM 239 CD GLU A 8 -3.039 -4.211 -3.494 1.00 0.00 C ATOM 240 OE1 GLU A 8 -3.848 -4.986 -4.047 1.00 0.00 O ATOM 241 OE2 GLU A 8 -2.437 -4.492 -2.437 1.00 0.00 O ATOM 0 H GLU A 8 -1.465 -1.049 -5.635 1.00 0.00 H new ATOM 0 HA GLU A 8 -3.832 -1.475 -7.145 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -4.092 -3.430 -5.726 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -2.412 -3.274 -6.202 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -1.718 -2.625 -4.057 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -3.319 -2.092 -3.584 1.00 0.00 H new ATOM 248 N LEU A 9 -4.150 -0.035 -4.231 1.00 0.00 N ATOM 249 CA LEU A 9 -5.093 0.647 -3.354 1.00 0.00 C ATOM 250 C LEU A 9 -5.764 1.811 -4.077 1.00 0.00 C ATOM 251 O LEU A 9 -6.987 1.951 -4.047 1.00 0.00 O ATOM 252 CB LEU A 9 -4.380 1.152 -2.097 1.00 0.00 C ATOM 253 CG LEU A 9 -4.489 0.234 -0.878 1.00 0.00 C ATOM 254 CD1 LEU A 9 -3.327 -0.746 -0.845 1.00 0.00 C ATOM 255 CD2 LEU A 9 -4.535 1.053 0.403 1.00 0.00 C ATOM 0 H LEU A 9 -3.171 0.081 -3.971 1.00 0.00 H new ATOM 0 HA LEU A 9 -5.863 -0.068 -3.063 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.325 1.298 -2.330 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.787 2.129 -1.835 1.00 0.00 H new ATOM 0 HG LEU A 9 -5.416 -0.334 -0.955 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.420 -1.391 0.028 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -3.339 -1.355 -1.749 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.388 -0.195 -0.791 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.613 0.384 1.260 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -3.625 1.647 0.488 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.400 1.715 0.380 1.00 0.00 H new ATOM 267 N LEU A 10 -4.957 2.641 -4.729 1.00 0.00 N ATOM 268 CA LEU A 10 -5.474 3.790 -5.462 1.00 0.00 C ATOM 269 C LEU A 10 -6.363 3.340 -6.616 1.00 0.00 C ATOM 270 O LEU A 10 -7.386 3.962 -6.906 1.00 0.00 O ATOM 271 CB LEU A 10 -4.319 4.645 -5.990 1.00 0.00 C ATOM 272 CG LEU A 10 -4.470 6.150 -5.763 1.00 0.00 C ATOM 273 CD1 LEU A 10 -4.376 6.476 -4.280 1.00 0.00 C ATOM 274 CD2 LEU A 10 -3.416 6.917 -6.546 1.00 0.00 C ATOM 0 H LEU A 10 -3.943 2.539 -4.765 1.00 0.00 H new ATOM 0 HA LEU A 10 -6.075 4.389 -4.778 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -3.395 4.313 -5.516 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.212 4.463 -7.059 1.00 0.00 H new ATOM 0 HG LEU A 10 -5.453 6.455 -6.122 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -4.485 7.551 -4.136 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -5.168 5.955 -3.742 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.407 6.156 -3.898 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.540 7.986 -6.372 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.423 6.608 -6.219 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.529 6.707 -7.610 1.00 0.00 H new ATOM 286 N ARG A 11 -5.965 2.256 -7.273 1.00 0.00 N ATOM 287 CA ARG A 11 -6.722 1.720 -8.398 1.00 0.00 C ATOM 288 C ARG A 11 -8.136 1.337 -7.973 1.00 0.00 C ATOM 289 O ARG A 11 -9.103 1.606 -8.685 1.00 0.00 O ATOM 290 CB ARG A 11 -6.005 0.501 -8.986 1.00 0.00 C ATOM 291 CG ARG A 11 -5.156 0.826 -10.203 1.00 0.00 C ATOM 292 CD ARG A 11 -6.018 1.138 -11.416 1.00 0.00 C ATOM 293 NE ARG A 11 -6.532 -0.075 -12.048 1.00 0.00 N ATOM 294 CZ ARG A 11 -5.815 -0.848 -12.861 1.00 0.00 C ATOM 295 NH1 ARG A 11 -4.557 -0.539 -13.144 1.00 0.00 N ATOM 296 NH2 ARG A 11 -6.360 -1.934 -13.392 1.00 0.00 N ATOM 0 H ARG A 11 -5.121 1.731 -7.045 1.00 0.00 H new ATOM 0 HA ARG A 11 -6.791 2.497 -9.160 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -5.371 0.057 -8.219 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -6.746 -0.250 -9.260 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -4.514 1.679 -9.983 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -4.502 -0.017 -10.427 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -6.852 1.771 -11.115 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -5.433 1.705 -12.141 1.00 0.00 H new ATOM 0 HE ARG A 11 -7.496 -0.345 -11.855 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -4.133 0.295 -12.738 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -4.013 -1.136 -13.768 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -7.327 -2.176 -13.177 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -5.812 -2.527 -14.015 1.00 0.00 H new ATOM 310 N TRP A 12 -8.252 0.708 -6.807 1.00 0.00 N ATOM 311 CA TRP A 12 -9.550 0.291 -6.291 1.00 0.00 C ATOM 312 C TRP A 12 -10.406 1.499 -5.923 1.00 0.00 C ATOM 313 O TRP A 12 -11.619 1.498 -6.129 1.00 0.00 O ATOM 314 CB TRP A 12 -9.372 -0.613 -5.070 1.00 0.00 C ATOM 315 CG TRP A 12 -10.625 -1.337 -4.681 1.00 0.00 C ATOM 316 CD1 TRP A 12 -10.970 -2.614 -5.019 1.00 0.00 C ATOM 317 CD2 TRP A 12 -11.699 -0.828 -3.883 1.00 0.00 C ATOM 318 NE1 TRP A 12 -12.195 -2.929 -4.480 1.00 0.00 N ATOM 319 CE2 TRP A 12 -12.661 -1.850 -3.778 1.00 0.00 C ATOM 320 CE3 TRP A 12 -11.940 0.393 -3.246 1.00 0.00 C ATOM 321 CZ2 TRP A 12 -13.845 -1.686 -3.063 1.00 0.00 C ATOM 322 CZ3 TRP A 12 -13.115 0.553 -2.536 1.00 0.00 C ATOM 323 CH2 TRP A 12 -14.054 -0.481 -2.448 1.00 0.00 C ATOM 0 H TRP A 12 -7.463 0.477 -6.203 1.00 0.00 H new ATOM 0 HA TRP A 12 -10.061 -0.267 -7.076 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -8.589 -1.342 -5.278 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -9.032 -0.011 -4.227 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -10.369 -3.279 -5.621 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -12.678 -3.821 -4.586 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -11.221 1.197 -3.308 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -14.572 -2.481 -2.996 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -13.312 1.492 -2.041 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -14.962 -0.325 -1.884 1.00 0.00 H new ATOM 334 N CYS A 13 -9.767 2.526 -5.372 1.00 0.00 N ATOM 335 CA CYS A 13 -10.472 3.738 -4.970 1.00 0.00 C ATOM 336 C CYS A 13 -10.985 4.503 -6.186 1.00 0.00 C ATOM 337 O CYS A 13 -12.132 4.949 -6.209 1.00 0.00 O ATOM 338 CB CYS A 13 -9.551 4.636 -4.140 1.00 0.00 C ATOM 339 SG CYS A 13 -10.384 5.490 -2.781 1.00 0.00 S ATOM 0 H CYS A 13 -8.763 2.543 -5.194 1.00 0.00 H new ATOM 0 HA CYS A 13 -11.328 3.444 -4.363 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -8.741 4.031 -3.733 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -9.096 5.377 -4.797 1.00 0.00 H new ATOM 0 HG CYS A 13 -9.568 6.346 -2.241 1.00 0.00 H new ATOM 345 N GLN A 14 -10.130 4.655 -7.192 1.00 0.00 N ATOM 346 CA GLN A 14 -10.500 5.369 -8.410 1.00 0.00 C ATOM 347 C GLN A 14 -11.601 4.630 -9.165 1.00 0.00 C ATOM 348 O GLN A 14 -12.470 5.251 -9.777 1.00 0.00 O ATOM 349 CB GLN A 14 -9.280 5.550 -9.313 1.00 0.00 C ATOM 350 CG GLN A 14 -8.666 4.240 -9.776 1.00 0.00 C ATOM 351 CD GLN A 14 -7.473 4.446 -10.691 1.00 0.00 C ATOM 352 OE1 GLN A 14 -7.589 4.339 -11.913 1.00 0.00 O ATOM 353 NE2 GLN A 14 -6.319 4.741 -10.104 1.00 0.00 N ATOM 0 H GLN A 14 -9.176 4.294 -7.188 1.00 0.00 H new ATOM 0 HA GLN A 14 -10.879 6.350 -8.122 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -9.568 6.135 -10.186 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -8.525 6.126 -8.778 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -8.356 3.661 -8.906 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -9.422 3.653 -10.297 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -6.269 4.820 -9.088 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -5.483 4.889 -10.669 1.00 0.00 H new ATOM 362 N GLU A 15 -11.559 3.302 -9.119 1.00 0.00 N ATOM 363 CA GLU A 15 -12.556 2.484 -9.800 1.00 0.00 C ATOM 364 C GLU A 15 -13.941 2.706 -9.201 1.00 0.00 C ATOM 365 O GLU A 15 -14.921 2.877 -9.924 1.00 0.00 O ATOM 366 CB GLU A 15 -12.179 1.004 -9.712 1.00 0.00 C ATOM 367 CG GLU A 15 -13.155 0.084 -10.427 1.00 0.00 C ATOM 368 CD GLU A 15 -13.026 0.157 -11.937 1.00 0.00 C ATOM 369 OE1 GLU A 15 -11.881 0.171 -12.434 1.00 0.00 O ATOM 370 OE2 GLU A 15 -14.071 0.202 -12.620 1.00 0.00 O ATOM 0 H GLU A 15 -10.847 2.771 -8.618 1.00 0.00 H new ATOM 0 HA GLU A 15 -12.581 2.782 -10.848 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -11.185 0.865 -10.136 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -12.121 0.714 -8.663 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -12.987 -0.942 -10.101 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -14.173 0.347 -10.140 1.00 0.00 H new ATOM 377 N GLN A 16 -14.011 2.702 -7.874 1.00 0.00 N ATOM 378 CA GLN A 16 -15.276 2.904 -7.176 1.00 0.00 C ATOM 379 C GLN A 16 -15.747 4.348 -7.314 1.00 0.00 C ATOM 380 O GLN A 16 -16.948 4.624 -7.308 1.00 0.00 O ATOM 381 CB GLN A 16 -15.130 2.542 -5.697 1.00 0.00 C ATOM 382 CG GLN A 16 -15.096 1.045 -5.438 1.00 0.00 C ATOM 383 CD GLN A 16 -16.447 0.387 -5.631 1.00 0.00 C ATOM 384 OE1 GLN A 16 -17.285 0.876 -6.391 1.00 0.00 O ATOM 385 NE2 GLN A 16 -16.669 -0.726 -4.942 1.00 0.00 N ATOM 0 H GLN A 16 -13.208 2.561 -7.261 1.00 0.00 H new ATOM 0 HA GLN A 16 -16.022 2.252 -7.630 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -14.215 2.990 -5.310 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -15.959 2.980 -5.141 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -14.372 0.581 -6.107 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -14.751 0.864 -4.420 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -15.947 -1.096 -4.324 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -17.562 -1.211 -5.031 1.00 0.00 H new ATOM 394 N THR A 17 -14.796 5.267 -7.438 1.00 0.00 N ATOM 395 CA THR A 17 -15.110 6.685 -7.578 1.00 0.00 C ATOM 396 C THR A 17 -15.271 7.077 -9.046 1.00 0.00 C ATOM 397 O THR A 17 -15.401 8.258 -9.368 1.00 0.00 O ATOM 398 CB THR A 17 -14.016 7.534 -6.930 1.00 0.00 C ATOM 399 OG1 THR A 17 -12.734 7.073 -7.307 1.00 0.00 O ATOM 400 CG2 THR A 17 -14.077 7.535 -5.418 1.00 0.00 C ATOM 0 H THR A 17 -13.798 5.055 -7.444 1.00 0.00 H new ATOM 0 HA THR A 17 -16.058 6.869 -7.072 1.00 0.00 H new ATOM 0 HB THR A 17 -14.190 8.549 -7.286 1.00 0.00 H new ATOM 0 HG1 THR A 17 -12.352 6.537 -6.581 1.00 0.00 H new ATOM 0 HG21 THR A 17 -13.274 8.156 -5.022 1.00 0.00 H new ATOM 0 HG22 THR A 17 -15.038 7.934 -5.093 1.00 0.00 H new ATOM 0 HG23 THR A 17 -13.964 6.516 -5.049 1.00 0.00 H new ATOM 408 N ALA A 18 -15.262 6.087 -9.934 1.00 0.00 N ATOM 409 CA ALA A 18 -15.406 6.343 -11.362 1.00 0.00 C ATOM 410 C ALA A 18 -16.873 6.508 -11.745 1.00 0.00 C ATOM 411 O ALA A 18 -17.728 5.736 -11.312 1.00 0.00 O ATOM 412 CB ALA A 18 -14.774 5.218 -12.167 1.00 0.00 C ATOM 0 H ALA A 18 -15.157 5.102 -9.690 1.00 0.00 H new ATOM 0 HA ALA A 18 -14.889 7.275 -11.592 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -14.889 5.423 -13.231 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -13.714 5.148 -11.924 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -15.265 4.276 -11.924 1.00 0.00 H new ATOM 418 N GLY A 19 -17.158 7.519 -12.558 1.00 0.00 N ATOM 419 CA GLY A 19 -18.523 7.767 -12.985 1.00 0.00 C ATOM 420 C GLY A 19 -18.895 9.235 -12.917 1.00 0.00 C ATOM 421 O GLY A 19 -19.739 9.703 -13.682 1.00 0.00 O ATOM 0 H GLY A 19 -16.468 8.172 -12.929 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -18.651 7.410 -14.007 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -19.206 7.193 -12.359 1.00 0.00 H new ATOM 425 N TYR A 20 -18.267 9.962 -11.999 1.00 0.00 N ATOM 426 CA TYR A 20 -18.538 11.384 -11.835 1.00 0.00 C ATOM 427 C TYR A 20 -17.858 12.199 -12.934 1.00 0.00 C ATOM 428 O TYR A 20 -16.713 11.927 -13.298 1.00 0.00 O ATOM 429 CB TYR A 20 -18.060 11.861 -10.461 1.00 0.00 C ATOM 430 CG TYR A 20 -18.648 11.078 -9.307 1.00 0.00 C ATOM 431 CD1 TYR A 20 -18.121 9.846 -8.939 1.00 0.00 C ATOM 432 CD2 TYR A 20 -19.729 11.571 -8.586 1.00 0.00 C ATOM 433 CE1 TYR A 20 -18.655 9.128 -7.886 1.00 0.00 C ATOM 434 CE2 TYR A 20 -20.268 10.859 -7.532 1.00 0.00 C ATOM 435 CZ TYR A 20 -19.727 9.639 -7.186 1.00 0.00 C ATOM 436 OH TYR A 20 -20.262 8.926 -6.137 1.00 0.00 O ATOM 0 H TYR A 20 -17.567 9.589 -11.358 1.00 0.00 H new ATOM 0 HA TYR A 20 -19.615 11.534 -11.910 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -16.973 11.791 -10.420 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -18.316 12.914 -10.342 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -17.281 9.443 -9.485 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -20.155 12.527 -8.854 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -18.235 8.171 -7.613 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -21.109 11.256 -6.982 1.00 0.00 H new ATOM 0 HH TYR A 20 -19.595 8.293 -5.798 1.00 0.00 H new ATOM 446 N PRO A 21 -18.554 13.210 -13.485 1.00 0.00 N ATOM 447 CA PRO A 21 -18.007 14.057 -14.547 1.00 0.00 C ATOM 448 C PRO A 21 -16.984 15.060 -14.025 1.00 0.00 C ATOM 449 O PRO A 21 -17.339 16.154 -13.584 1.00 0.00 O ATOM 450 CB PRO A 21 -19.240 14.783 -15.083 1.00 0.00 C ATOM 451 CG PRO A 21 -20.166 14.857 -13.918 1.00 0.00 C ATOM 452 CD PRO A 21 -19.929 13.606 -13.115 1.00 0.00 C ATOM 0 HA PRO A 21 -17.473 13.476 -15.298 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -18.986 15.777 -15.452 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -19.690 14.240 -15.914 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -19.969 15.747 -13.320 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -21.203 14.917 -14.248 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -20.018 13.794 -12.045 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -20.651 12.828 -13.363 1.00 0.00 H new ATOM 460 N GLY A 22 -15.711 14.680 -14.075 1.00 0.00 N ATOM 461 CA GLY A 22 -14.656 15.559 -13.605 1.00 0.00 C ATOM 462 C GLY A 22 -13.777 14.906 -12.552 1.00 0.00 C ATOM 463 O GLY A 22 -12.815 15.511 -12.080 1.00 0.00 O ATOM 0 H GLY A 22 -15.391 13.780 -14.432 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -14.039 15.864 -14.450 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -15.100 16.465 -13.192 1.00 0.00 H new ATOM 467 N VAL A 23 -14.106 13.672 -12.184 1.00 0.00 N ATOM 468 CA VAL A 23 -13.336 12.948 -11.181 1.00 0.00 C ATOM 469 C VAL A 23 -12.052 12.381 -11.779 1.00 0.00 C ATOM 470 O VAL A 23 -12.088 11.588 -12.720 1.00 0.00 O ATOM 471 CB VAL A 23 -14.158 11.800 -10.562 1.00 0.00 C ATOM 472 CG1 VAL A 23 -14.554 10.787 -11.627 1.00 0.00 C ATOM 473 CG2 VAL A 23 -13.380 11.129 -9.438 1.00 0.00 C ATOM 0 H VAL A 23 -14.898 13.154 -12.564 1.00 0.00 H new ATOM 0 HA VAL A 23 -13.082 13.663 -10.398 1.00 0.00 H new ATOM 0 HB VAL A 23 -15.070 12.221 -10.139 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -15.133 9.985 -11.169 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -15.156 11.279 -12.391 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -13.657 10.371 -12.085 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -13.977 10.322 -9.014 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -12.448 10.723 -9.832 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -13.157 11.861 -8.662 1.00 0.00 H new ATOM 483 N HIS A 24 -10.921 12.795 -11.221 1.00 0.00 N ATOM 484 CA HIS A 24 -9.619 12.332 -11.689 1.00 0.00 C ATOM 485 C HIS A 24 -8.773 11.833 -10.521 1.00 0.00 C ATOM 486 O HIS A 24 -7.704 12.374 -10.237 1.00 0.00 O ATOM 487 CB HIS A 24 -8.889 13.459 -12.423 1.00 0.00 C ATOM 488 CG HIS A 24 -9.201 13.520 -13.886 1.00 0.00 C ATOM 489 ND1 HIS A 24 -10.003 14.494 -14.446 1.00 0.00 N ATOM 490 CD2 HIS A 24 -8.815 12.721 -14.909 1.00 0.00 C ATOM 491 CE1 HIS A 24 -10.096 14.290 -15.748 1.00 0.00 C ATOM 492 NE2 HIS A 24 -9.384 13.222 -16.054 1.00 0.00 N ATOM 0 H HIS A 24 -10.879 13.452 -10.442 1.00 0.00 H new ATOM 0 HA HIS A 24 -9.777 11.504 -12.380 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -9.153 14.412 -11.963 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -7.814 13.329 -12.294 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -8.178 11.852 -14.838 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -10.659 14.895 -16.444 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -9.274 12.832 -16.990 1.00 0.00 H new ATOM 501 N VAL A 25 -9.262 10.800 -9.844 1.00 0.00 N ATOM 502 CA VAL A 25 -8.557 10.227 -8.704 1.00 0.00 C ATOM 503 C VAL A 25 -7.325 9.447 -9.148 1.00 0.00 C ATOM 504 O VAL A 25 -7.432 8.316 -9.624 1.00 0.00 O ATOM 505 CB VAL A 25 -9.474 9.296 -7.888 1.00 0.00 C ATOM 506 CG1 VAL A 25 -8.775 8.836 -6.617 1.00 0.00 C ATOM 507 CG2 VAL A 25 -10.788 9.989 -7.561 1.00 0.00 C ATOM 0 H VAL A 25 -10.146 10.342 -10.066 1.00 0.00 H new ATOM 0 HA VAL A 25 -8.245 11.062 -8.076 1.00 0.00 H new ATOM 0 HB VAL A 25 -9.695 8.416 -8.492 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -9.438 8.179 -6.054 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.865 8.296 -6.877 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -8.520 9.703 -6.008 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -11.421 9.315 -6.984 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -10.590 10.888 -6.978 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -11.296 10.261 -8.486 1.00 0.00 H new ATOM 517 N SER A 26 -6.155 10.055 -8.986 1.00 0.00 N ATOM 518 CA SER A 26 -4.900 9.415 -9.365 1.00 0.00 C ATOM 519 C SER A 26 -3.753 9.886 -8.475 1.00 0.00 C ATOM 520 O SER A 26 -2.585 9.795 -8.851 1.00 0.00 O ATOM 521 CB SER A 26 -4.577 9.707 -10.831 1.00 0.00 C ATOM 522 OG SER A 26 -5.216 8.776 -11.690 1.00 0.00 O ATOM 0 H SER A 26 -6.049 10.991 -8.595 1.00 0.00 H new ATOM 0 HA SER A 26 -5.017 8.339 -9.232 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.897 10.718 -11.083 1.00 0.00 H new ATOM 0 HB3 SER A 26 -3.499 9.667 -10.984 1.00 0.00 H new ATOM 0 HG SER A 26 -6.024 8.431 -11.256 1.00 0.00 H new ATOM 528 N ASP A 27 -4.095 10.386 -7.292 1.00 0.00 N ATOM 529 CA ASP A 27 -3.095 10.867 -6.345 1.00 0.00 C ATOM 530 C ASP A 27 -3.441 10.430 -4.925 1.00 0.00 C ATOM 531 O ASP A 27 -4.613 10.369 -4.553 1.00 0.00 O ATOM 532 CB ASP A 27 -2.989 12.391 -6.411 1.00 0.00 C ATOM 533 CG ASP A 27 -2.476 12.877 -7.753 1.00 0.00 C ATOM 534 OD1 ASP A 27 -1.548 12.244 -8.299 1.00 0.00 O ATOM 535 OD2 ASP A 27 -3.004 13.889 -8.259 1.00 0.00 O ATOM 0 H ASP A 27 -5.058 10.469 -6.966 1.00 0.00 H new ATOM 0 HA ASP A 27 -2.133 10.433 -6.617 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -3.968 12.829 -6.219 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -2.323 12.741 -5.622 1.00 0.00 H new ATOM 540 N LEU A 28 -2.417 10.126 -4.135 1.00 0.00 N ATOM 541 CA LEU A 28 -2.622 9.693 -2.758 1.00 0.00 C ATOM 542 C LEU A 28 -2.489 10.866 -1.789 1.00 0.00 C ATOM 543 O LEU A 28 -1.995 10.703 -0.672 1.00 0.00 O ATOM 544 CB LEU A 28 -1.618 8.595 -2.394 1.00 0.00 C ATOM 545 CG LEU A 28 -2.217 7.378 -1.689 1.00 0.00 C ATOM 546 CD1 LEU A 28 -1.293 6.177 -1.820 1.00 0.00 C ATOM 547 CD2 LEU A 28 -2.487 7.689 -0.224 1.00 0.00 C ATOM 0 H LEU A 28 -1.440 10.171 -4.423 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.633 9.294 -2.675 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.122 8.260 -3.305 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.849 9.025 -1.753 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.165 7.135 -2.168 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.736 5.320 -1.312 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.151 5.940 -2.875 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.329 6.409 -1.367 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.913 6.811 0.262 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.553 7.959 0.269 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.189 8.520 -0.152 1.00 0.00 H new ATOM 559 N SER A 29 -2.932 12.044 -2.219 1.00 0.00 N ATOM 560 CA SER A 29 -2.860 13.237 -1.384 1.00 0.00 C ATOM 561 C SER A 29 -3.722 14.361 -1.954 1.00 0.00 C ATOM 562 O SER A 29 -4.769 14.697 -1.401 1.00 0.00 O ATOM 563 CB SER A 29 -1.411 13.710 -1.255 1.00 0.00 C ATOM 564 OG SER A 29 -0.614 12.747 -0.589 1.00 0.00 O ATOM 0 H SER A 29 -3.344 12.197 -3.140 1.00 0.00 H new ATOM 0 HA SER A 29 -3.242 12.977 -0.397 1.00 0.00 H new ATOM 0 HB2 SER A 29 -1.000 13.904 -2.246 1.00 0.00 H new ATOM 0 HB3 SER A 29 -1.381 14.652 -0.708 1.00 0.00 H new ATOM 0 HG SER A 29 -1.191 12.055 -0.204 1.00 0.00 H new ATOM 570 N SER A 30 -3.269 14.943 -3.061 1.00 0.00 N ATOM 571 CA SER A 30 -3.990 16.037 -3.706 1.00 0.00 C ATOM 572 C SER A 30 -5.417 15.627 -4.063 1.00 0.00 C ATOM 573 O SER A 30 -6.361 16.388 -3.856 1.00 0.00 O ATOM 574 CB SER A 30 -3.249 16.486 -4.966 1.00 0.00 C ATOM 575 OG SER A 30 -2.339 17.534 -4.677 1.00 0.00 O ATOM 0 H SER A 30 -2.404 14.675 -3.531 1.00 0.00 H new ATOM 0 HA SER A 30 -4.040 16.866 -3.000 1.00 0.00 H new ATOM 0 HB2 SER A 30 -2.711 15.641 -5.396 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.967 16.820 -5.715 1.00 0.00 H new ATOM 0 HG SER A 30 -1.877 17.802 -5.499 1.00 0.00 H new ATOM 581 N SER A 31 -5.564 14.424 -4.609 1.00 0.00 N ATOM 582 CA SER A 31 -6.875 13.917 -5.004 1.00 0.00 C ATOM 583 C SER A 31 -7.857 13.948 -3.834 1.00 0.00 C ATOM 584 O SER A 31 -9.062 14.099 -4.031 1.00 0.00 O ATOM 585 CB SER A 31 -6.748 12.490 -5.543 1.00 0.00 C ATOM 586 OG SER A 31 -6.917 12.460 -6.950 1.00 0.00 O ATOM 0 H SER A 31 -4.792 13.782 -4.788 1.00 0.00 H new ATOM 0 HA SER A 31 -7.263 14.565 -5.790 1.00 0.00 H new ATOM 0 HB2 SER A 31 -5.770 12.085 -5.282 1.00 0.00 H new ATOM 0 HB3 SER A 31 -7.494 11.851 -5.070 1.00 0.00 H new ATOM 0 HG SER A 31 -7.733 12.946 -7.192 1.00 0.00 H new ATOM 592 N TRP A 32 -7.335 13.803 -2.620 1.00 0.00 N ATOM 593 CA TRP A 32 -8.171 13.814 -1.424 1.00 0.00 C ATOM 594 C TRP A 32 -8.348 15.232 -0.877 1.00 0.00 C ATOM 595 O TRP A 32 -9.028 15.434 0.129 1.00 0.00 O ATOM 596 CB TRP A 32 -7.563 12.913 -0.348 1.00 0.00 C ATOM 597 CG TRP A 32 -7.247 11.532 -0.839 1.00 0.00 C ATOM 598 CD1 TRP A 32 -6.179 11.159 -1.604 1.00 0.00 C ATOM 599 CD2 TRP A 32 -8.007 10.341 -0.600 1.00 0.00 C ATOM 600 NE1 TRP A 32 -6.229 9.809 -1.857 1.00 0.00 N ATOM 601 CE2 TRP A 32 -7.340 9.285 -1.249 1.00 0.00 C ATOM 602 CE3 TRP A 32 -9.184 10.066 0.100 1.00 0.00 C ATOM 603 CZ2 TRP A 32 -7.814 7.975 -1.221 1.00 0.00 C ATOM 604 CZ3 TRP A 32 -9.653 8.764 0.129 1.00 0.00 C ATOM 605 CH2 TRP A 32 -8.968 7.734 -0.526 1.00 0.00 C ATOM 0 H TRP A 32 -6.339 13.677 -2.438 1.00 0.00 H new ATOM 0 HA TRP A 32 -9.154 13.434 -1.702 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -6.650 13.375 0.029 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -8.255 12.843 0.491 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -5.408 11.827 -1.958 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -5.550 9.283 -2.407 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -9.718 10.855 0.609 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -7.290 7.179 -1.729 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -10.563 8.539 0.666 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -9.358 6.728 -0.482 1.00 0.00 H new ATOM 616 N ALA A 33 -7.732 16.209 -1.540 1.00 0.00 N ATOM 617 CA ALA A 33 -7.824 17.602 -1.115 1.00 0.00 C ATOM 618 C ALA A 33 -9.276 18.040 -0.949 1.00 0.00 C ATOM 619 O ALA A 33 -9.687 18.457 0.134 1.00 0.00 O ATOM 620 CB ALA A 33 -7.112 18.502 -2.112 1.00 0.00 C ATOM 0 H ALA A 33 -7.164 16.060 -2.374 1.00 0.00 H new ATOM 0 HA ALA A 33 -7.337 17.689 -0.144 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -7.187 19.539 -1.785 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -6.062 18.217 -2.175 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -7.576 18.397 -3.093 1.00 0.00 H new ATOM 626 N ASP A 34 -10.047 17.944 -2.026 1.00 0.00 N ATOM 627 CA ASP A 34 -11.453 18.334 -1.993 1.00 0.00 C ATOM 628 C ASP A 34 -12.318 17.242 -1.360 1.00 0.00 C ATOM 629 O ASP A 34 -13.509 17.444 -1.128 1.00 0.00 O ATOM 630 CB ASP A 34 -11.954 18.643 -3.408 1.00 0.00 C ATOM 631 CG ASP A 34 -11.615 17.545 -4.396 1.00 0.00 C ATOM 632 OD1 ASP A 34 -11.455 16.384 -3.963 1.00 0.00 O ATOM 633 OD2 ASP A 34 -11.511 17.844 -5.604 1.00 0.00 O ATOM 0 H ASP A 34 -9.724 17.601 -2.931 1.00 0.00 H new ATOM 0 HA ASP A 34 -11.535 19.232 -1.380 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -13.034 18.785 -3.384 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -11.516 19.581 -3.748 1.00 0.00 H new ATOM 638 N GLY A 35 -11.715 16.089 -1.080 1.00 0.00 N ATOM 639 CA GLY A 35 -12.453 14.995 -0.473 1.00 0.00 C ATOM 640 C GLY A 35 -13.411 14.331 -1.443 1.00 0.00 C ATOM 641 O GLY A 35 -14.494 13.896 -1.054 1.00 0.00 O ATOM 0 H GLY A 35 -10.731 15.893 -1.262 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -11.750 14.252 -0.096 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -13.011 15.370 0.385 1.00 0.00 H new ATOM 645 N LEU A 36 -13.012 14.256 -2.707 1.00 0.00 N ATOM 646 CA LEU A 36 -13.843 13.644 -3.736 1.00 0.00 C ATOM 647 C LEU A 36 -13.835 12.122 -3.615 1.00 0.00 C ATOM 648 O LEU A 36 -14.806 11.457 -3.980 1.00 0.00 O ATOM 649 CB LEU A 36 -13.359 14.063 -5.127 1.00 0.00 C ATOM 650 CG LEU A 36 -14.211 15.135 -5.812 1.00 0.00 C ATOM 651 CD1 LEU A 36 -15.593 14.589 -6.138 1.00 0.00 C ATOM 652 CD2 LEU A 36 -14.317 16.377 -4.936 1.00 0.00 C ATOM 0 H LEU A 36 -12.117 14.612 -3.044 1.00 0.00 H new ATOM 0 HA LEU A 36 -14.866 13.992 -3.595 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -12.336 14.431 -5.044 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -13.329 13.181 -5.766 1.00 0.00 H new ATOM 0 HG LEU A 36 -13.724 15.417 -6.746 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -16.185 15.364 -6.624 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -15.498 13.733 -6.806 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -16.088 14.278 -5.218 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -14.926 17.127 -5.440 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -14.780 16.113 -3.985 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -13.321 16.781 -4.755 1.00 0.00 H new ATOM 664 N ALA A 37 -12.735 11.573 -3.108 1.00 0.00 N ATOM 665 CA ALA A 37 -12.609 10.128 -2.946 1.00 0.00 C ATOM 666 C ALA A 37 -13.589 9.600 -1.904 1.00 0.00 C ATOM 667 O ALA A 37 -14.286 8.612 -2.136 1.00 0.00 O ATOM 668 CB ALA A 37 -11.182 9.765 -2.563 1.00 0.00 C ATOM 0 H ALA A 37 -11.920 12.105 -2.803 1.00 0.00 H new ATOM 0 HA ALA A 37 -12.851 9.659 -3.900 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -11.101 8.684 -2.445 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -10.500 10.097 -3.345 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -10.922 10.253 -1.624 1.00 0.00 H new ATOM 674 N LEU A 38 -13.643 10.269 -0.756 1.00 0.00 N ATOM 675 CA LEU A 38 -14.542 9.867 0.320 1.00 0.00 C ATOM 676 C LEU A 38 -15.986 10.196 -0.039 1.00 0.00 C ATOM 677 O LEU A 38 -16.909 9.464 0.317 1.00 0.00 O ATOM 678 CB LEU A 38 -14.158 10.568 1.625 1.00 0.00 C ATOM 679 CG LEU A 38 -13.154 9.807 2.498 1.00 0.00 C ATOM 680 CD1 LEU A 38 -11.806 10.513 2.502 1.00 0.00 C ATOM 681 CD2 LEU A 38 -13.683 9.660 3.917 1.00 0.00 C ATOM 0 H LEU A 38 -13.076 11.091 -0.547 1.00 0.00 H new ATOM 0 HA LEU A 38 -14.451 8.789 0.457 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -13.740 11.546 1.385 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -15.063 10.742 2.206 1.00 0.00 H new ATOM 0 HG LEU A 38 -13.019 8.811 2.076 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -11.106 9.958 3.127 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -11.420 10.566 1.484 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -11.925 11.522 2.898 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -12.957 9.117 4.522 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -13.848 10.648 4.348 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -14.624 9.110 3.899 1.00 0.00 H new ATOM 693 N CYS A 39 -16.168 11.304 -0.747 1.00 0.00 N ATOM 694 CA CYS A 39 -17.496 11.740 -1.160 1.00 0.00 C ATOM 695 C CYS A 39 -18.077 10.801 -2.212 1.00 0.00 C ATOM 696 O CYS A 39 -19.219 10.354 -2.099 1.00 0.00 O ATOM 697 CB CYS A 39 -17.431 13.164 -1.711 1.00 0.00 C ATOM 698 SG CYS A 39 -17.487 14.450 -0.441 1.00 0.00 S ATOM 0 H CYS A 39 -15.411 11.918 -1.048 1.00 0.00 H new ATOM 0 HA CYS A 39 -18.148 11.721 -0.287 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -16.513 13.277 -2.288 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -18.261 13.313 -2.401 1.00 0.00 H new ATOM 0 HG CYS A 39 -16.276 14.813 -0.137 1.00 0.00 H new ATOM 704 N ALA A 40 -17.284 10.510 -3.239 1.00 0.00 N ATOM 705 CA ALA A 40 -17.718 9.627 -4.315 1.00 0.00 C ATOM 706 C ALA A 40 -18.096 8.247 -3.782 1.00 0.00 C ATOM 707 O ALA A 40 -19.087 7.658 -4.210 1.00 0.00 O ATOM 708 CB ALA A 40 -16.628 9.507 -5.368 1.00 0.00 C ATOM 0 H ALA A 40 -16.337 10.873 -3.348 1.00 0.00 H new ATOM 0 HA ALA A 40 -18.606 10.064 -4.772 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -16.964 8.845 -6.166 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -16.411 10.492 -5.781 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -15.726 9.098 -4.913 1.00 0.00 H new ATOM 714 N LEU A 41 -17.299 7.738 -2.848 1.00 0.00 N ATOM 715 CA LEU A 41 -17.552 6.425 -2.262 1.00 0.00 C ATOM 716 C LEU A 41 -18.901 6.395 -1.548 1.00 0.00 C ATOM 717 O LEU A 41 -19.729 5.519 -1.801 1.00 0.00 O ATOM 718 CB LEU A 41 -16.437 6.054 -1.282 1.00 0.00 C ATOM 719 CG LEU A 41 -15.089 5.725 -1.928 1.00 0.00 C ATOM 720 CD1 LEU A 41 -13.992 5.677 -0.876 1.00 0.00 C ATOM 721 CD2 LEU A 41 -15.168 4.405 -2.679 1.00 0.00 C ATOM 0 H LEU A 41 -16.474 8.213 -2.481 1.00 0.00 H new ATOM 0 HA LEU A 41 -17.573 5.695 -3.071 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -16.297 6.881 -0.585 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -16.761 5.194 -0.695 1.00 0.00 H new ATOM 0 HG LEU A 41 -14.846 6.513 -2.641 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -13.041 5.442 -1.353 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -13.920 6.645 -0.381 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -14.228 4.909 -0.139 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -14.201 4.186 -3.132 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -15.433 3.607 -1.985 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -15.927 4.475 -3.458 1.00 0.00 H new ATOM 733 N VAL A 42 -19.113 7.354 -0.652 1.00 0.00 N ATOM 734 CA VAL A 42 -20.358 7.435 0.101 1.00 0.00 C ATOM 735 C VAL A 42 -21.552 7.648 -0.827 1.00 0.00 C ATOM 736 O VAL A 42 -22.556 6.944 -0.733 1.00 0.00 O ATOM 737 CB VAL A 42 -20.317 8.574 1.137 1.00 0.00 C ATOM 738 CG1 VAL A 42 -21.553 8.538 2.023 1.00 0.00 C ATOM 739 CG2 VAL A 42 -19.049 8.490 1.976 1.00 0.00 C ATOM 0 H VAL A 42 -18.438 8.086 -0.430 1.00 0.00 H new ATOM 0 HA VAL A 42 -20.472 6.485 0.622 1.00 0.00 H new ATOM 0 HB VAL A 42 -20.310 9.524 0.602 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -21.505 9.351 2.748 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -22.445 8.653 1.408 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -21.596 7.584 2.549 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -19.039 9.303 2.702 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -19.022 7.535 2.500 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -18.177 8.572 1.327 1.00 0.00 H new ATOM 749 N TYR A 43 -21.433 8.626 -1.720 1.00 0.00 N ATOM 750 CA TYR A 43 -22.502 8.935 -2.666 1.00 0.00 C ATOM 751 C TYR A 43 -22.903 7.697 -3.464 1.00 0.00 C ATOM 752 O TYR A 43 -24.083 7.490 -3.754 1.00 0.00 O ATOM 753 CB TYR A 43 -22.056 10.044 -3.619 1.00 0.00 C ATOM 754 CG TYR A 43 -23.180 10.620 -4.452 1.00 0.00 C ATOM 755 CD1 TYR A 43 -24.112 11.484 -3.892 1.00 0.00 C ATOM 756 CD2 TYR A 43 -23.308 10.299 -5.798 1.00 0.00 C ATOM 757 CE1 TYR A 43 -25.139 12.013 -4.650 1.00 0.00 C ATOM 758 CE2 TYR A 43 -24.332 10.824 -6.561 1.00 0.00 C ATOM 759 CZ TYR A 43 -25.245 11.679 -5.984 1.00 0.00 C ATOM 760 OH TYR A 43 -26.267 12.204 -6.741 1.00 0.00 O ATOM 0 H TYR A 43 -20.607 9.218 -1.809 1.00 0.00 H new ATOM 0 HA TYR A 43 -23.369 9.273 -2.098 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -21.597 10.846 -3.040 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -21.287 9.651 -4.284 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -24.033 11.747 -2.847 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -22.595 9.628 -6.254 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -25.855 12.685 -4.200 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -24.417 10.565 -7.606 1.00 0.00 H new ATOM 0 HH TYR A 43 -26.198 11.870 -7.660 1.00 0.00 H new ATOM 770 N ARG A 44 -21.917 6.881 -3.818 1.00 0.00 N ATOM 771 CA ARG A 44 -22.169 5.666 -4.586 1.00 0.00 C ATOM 772 C ARG A 44 -23.023 4.684 -3.790 1.00 0.00 C ATOM 773 O ARG A 44 -23.951 4.079 -4.326 1.00 0.00 O ATOM 774 CB ARG A 44 -20.847 5.005 -4.980 1.00 0.00 C ATOM 775 CG ARG A 44 -20.889 4.327 -6.340 1.00 0.00 C ATOM 776 CD ARG A 44 -21.493 2.934 -6.252 1.00 0.00 C ATOM 777 NE ARG A 44 -20.534 1.952 -5.746 1.00 0.00 N ATOM 778 CZ ARG A 44 -20.867 0.723 -5.360 1.00 0.00 C ATOM 779 NH1 ARG A 44 -22.130 0.321 -5.416 1.00 0.00 N ATOM 780 NH2 ARG A 44 -19.932 -0.106 -4.913 1.00 0.00 N ATOM 0 H ARG A 44 -20.936 7.038 -3.586 1.00 0.00 H new ATOM 0 HA ARG A 44 -22.714 5.944 -5.488 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -20.060 5.759 -4.983 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -20.579 4.267 -4.223 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -21.472 4.934 -7.032 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -19.880 4.262 -6.746 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -22.366 2.958 -5.600 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -21.841 2.627 -7.238 1.00 0.00 H new ATOM 0 HE ARG A 44 -19.553 2.225 -5.686 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -22.852 0.955 -5.757 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -22.379 -0.622 -5.119 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -18.960 0.199 -4.866 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -20.185 -1.049 -4.617 1.00 0.00 H new ATOM 794 N LEU A 45 -22.704 4.530 -2.510 1.00 0.00 N ATOM 795 CA LEU A 45 -23.442 3.619 -1.643 1.00 0.00 C ATOM 796 C LEU A 45 -24.786 4.218 -1.237 1.00 0.00 C ATOM 797 O LEU A 45 -25.759 3.495 -1.021 1.00 0.00 O ATOM 798 CB LEU A 45 -22.617 3.291 -0.397 1.00 0.00 C ATOM 799 CG LEU A 45 -21.650 2.118 -0.558 1.00 0.00 C ATOM 800 CD1 LEU A 45 -20.630 2.413 -1.647 1.00 0.00 C ATOM 801 CD2 LEU A 45 -20.955 1.817 0.762 1.00 0.00 C ATOM 0 H LEU A 45 -21.939 5.024 -2.050 1.00 0.00 H new ATOM 0 HA LEU A 45 -23.631 2.701 -2.199 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -22.048 4.176 -0.112 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -23.298 3.072 0.425 1.00 0.00 H new ATOM 0 HG LEU A 45 -22.220 1.238 -0.854 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -19.950 1.567 -1.747 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -21.145 2.579 -2.593 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -20.063 3.305 -1.382 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -20.270 0.979 0.630 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -20.396 2.695 1.087 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -21.700 1.561 1.515 1.00 0.00 H new ATOM 813 N GLN A 46 -24.834 5.543 -1.137 1.00 0.00 N ATOM 814 CA GLN A 46 -26.060 6.237 -0.759 1.00 0.00 C ATOM 815 C GLN A 46 -26.106 7.632 -1.379 1.00 0.00 C ATOM 816 O GLN A 46 -25.866 8.630 -0.700 1.00 0.00 O ATOM 817 CB GLN A 46 -26.168 6.335 0.764 1.00 0.00 C ATOM 818 CG GLN A 46 -27.010 5.231 1.386 1.00 0.00 C ATOM 819 CD GLN A 46 -26.306 4.537 2.536 1.00 0.00 C ATOM 820 OE1 GLN A 46 -25.124 4.206 2.446 1.00 0.00 O ATOM 821 NE2 GLN A 46 -27.032 4.311 3.624 1.00 0.00 N ATOM 0 H GLN A 46 -24.039 6.157 -1.312 1.00 0.00 H new ATOM 0 HA GLN A 46 -26.906 5.663 -1.137 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -25.167 6.303 1.194 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -26.598 7.301 1.028 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -27.950 5.653 1.742 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -27.260 4.496 0.621 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -28.009 4.603 3.655 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -26.613 3.846 4.429 1.00 0.00 H new ATOM 830 N PRO A 47 -26.416 7.717 -2.684 1.00 0.00 N ATOM 831 CA PRO A 47 -26.491 8.997 -3.396 1.00 0.00 C ATOM 832 C PRO A 47 -27.732 9.798 -3.018 1.00 0.00 C ATOM 833 O PRO A 47 -27.736 11.027 -3.092 1.00 0.00 O ATOM 834 CB PRO A 47 -26.552 8.578 -4.865 1.00 0.00 C ATOM 835 CG PRO A 47 -27.175 7.226 -4.844 1.00 0.00 C ATOM 836 CD PRO A 47 -26.715 6.574 -3.570 1.00 0.00 C ATOM 0 HA PRO A 47 -25.650 9.648 -3.158 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -27.145 9.279 -5.453 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -25.558 8.550 -5.311 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -28.262 7.298 -4.875 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -26.869 6.643 -5.713 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -27.487 5.930 -3.148 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -25.835 5.952 -3.733 1.00 0.00 H new ATOM 844 N GLY A 48 -28.783 9.095 -2.616 1.00 0.00 N ATOM 845 CA GLY A 48 -30.017 9.756 -2.234 1.00 0.00 C ATOM 846 C GLY A 48 -29.892 10.507 -0.923 1.00 0.00 C ATOM 847 O GLY A 48 -30.595 11.493 -0.697 1.00 0.00 O ATOM 0 H GLY A 48 -28.803 8.078 -2.547 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -30.312 10.451 -3.020 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -30.812 9.015 -2.150 1.00 0.00 H new ATOM 851 N LEU A 49 -28.999 10.039 -0.057 1.00 0.00 N ATOM 852 CA LEU A 49 -28.790 10.673 1.239 1.00 0.00 C ATOM 853 C LEU A 49 -27.479 11.456 1.267 1.00 0.00 C ATOM 854 O LEU A 49 -26.891 11.658 2.329 1.00 0.00 O ATOM 855 CB LEU A 49 -28.790 9.621 2.351 1.00 0.00 C ATOM 856 CG LEU A 49 -30.006 8.694 2.365 1.00 0.00 C ATOM 857 CD1 LEU A 49 -29.785 7.540 3.330 1.00 0.00 C ATOM 858 CD2 LEU A 49 -31.262 9.468 2.735 1.00 0.00 C ATOM 0 H LEU A 49 -28.410 9.224 -0.229 1.00 0.00 H new ATOM 0 HA LEU A 49 -29.610 11.372 1.404 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -27.890 9.013 2.255 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -28.730 10.131 3.313 1.00 0.00 H new ATOM 0 HG LEU A 49 -30.138 8.284 1.364 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -30.660 6.891 3.327 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -28.909 6.970 3.021 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -29.627 7.931 4.335 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -32.117 8.792 2.740 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -31.140 9.907 3.725 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -31.429 10.260 2.005 1.00 0.00 H new ATOM 870 N LEU A 50 -27.023 11.893 0.097 1.00 0.00 N ATOM 871 CA LEU A 50 -25.781 12.650 0.001 1.00 0.00 C ATOM 872 C LEU A 50 -25.867 13.716 -1.089 1.00 0.00 C ATOM 873 O LEU A 50 -26.750 13.674 -1.947 1.00 0.00 O ATOM 874 CB LEU A 50 -24.610 11.706 -0.280 1.00 0.00 C ATOM 875 CG LEU A 50 -23.849 11.233 0.962 1.00 0.00 C ATOM 876 CD1 LEU A 50 -24.362 9.876 1.417 1.00 0.00 C ATOM 877 CD2 LEU A 50 -22.356 11.173 0.681 1.00 0.00 C ATOM 0 H LEU A 50 -27.493 11.736 -0.794 1.00 0.00 H new ATOM 0 HA LEU A 50 -25.617 13.152 0.954 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -24.987 10.832 -0.812 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -23.910 12.208 -0.948 1.00 0.00 H new ATOM 0 HG LEU A 50 -24.019 11.951 1.764 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -23.810 9.556 2.301 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -25.422 9.950 1.659 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -24.222 9.148 0.618 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -21.831 10.835 1.574 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -22.167 10.477 -0.136 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -21.998 12.164 0.403 1.00 0.00 H new ATOM 889 N GLU A 51 -24.939 14.668 -1.051 1.00 0.00 N ATOM 890 CA GLU A 51 -24.900 15.748 -2.035 1.00 0.00 C ATOM 891 C GLU A 51 -23.497 16.346 -2.125 1.00 0.00 C ATOM 892 O GLU A 51 -23.322 17.563 -2.042 1.00 0.00 O ATOM 893 CB GLU A 51 -25.913 16.836 -1.670 1.00 0.00 C ATOM 894 CG GLU A 51 -27.358 16.414 -1.872 1.00 0.00 C ATOM 895 CD GLU A 51 -28.265 17.583 -2.200 1.00 0.00 C ATOM 896 OE1 GLU A 51 -27.874 18.737 -1.922 1.00 0.00 O ATOM 897 OE2 GLU A 51 -29.369 17.347 -2.737 1.00 0.00 O ATOM 0 H GLU A 51 -24.202 14.714 -0.348 1.00 0.00 H new ATOM 0 HA GLU A 51 -25.162 15.333 -3.008 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -25.769 17.120 -0.628 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -25.714 17.722 -2.272 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -27.410 15.681 -2.677 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -27.719 15.921 -0.969 1.00 0.00 H new ATOM 904 N PRO A 52 -22.471 15.491 -2.297 1.00 0.00 N ATOM 905 CA PRO A 52 -21.076 15.935 -2.393 1.00 0.00 C ATOM 906 C PRO A 52 -20.839 16.879 -3.567 1.00 0.00 C ATOM 907 O PRO A 52 -19.832 17.584 -3.610 1.00 0.00 O ATOM 908 CB PRO A 52 -20.290 14.634 -2.591 1.00 0.00 C ATOM 909 CG PRO A 52 -21.294 13.642 -3.062 1.00 0.00 C ATOM 910 CD PRO A 52 -22.586 14.029 -2.406 1.00 0.00 C ATOM 0 HA PRO A 52 -20.776 16.499 -1.510 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -19.491 14.763 -3.321 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -19.822 14.311 -1.661 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -21.385 13.662 -4.148 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -21.003 12.629 -2.786 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -23.448 13.735 -3.005 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -22.701 13.558 -1.430 1.00 0.00 H new ATOM 918 N SER A 53 -21.767 16.892 -4.518 1.00 0.00 N ATOM 919 CA SER A 53 -21.644 17.759 -5.684 1.00 0.00 C ATOM 920 C SER A 53 -21.472 19.211 -5.255 1.00 0.00 C ATOM 921 O SER A 53 -20.670 19.950 -5.824 1.00 0.00 O ATOM 922 CB SER A 53 -22.875 17.618 -6.581 1.00 0.00 C ATOM 923 OG SER A 53 -22.728 16.536 -7.483 1.00 0.00 O ATOM 0 H SER A 53 -22.608 16.315 -4.505 1.00 0.00 H new ATOM 0 HA SER A 53 -20.761 17.456 -6.247 1.00 0.00 H new ATOM 0 HB2 SER A 53 -23.761 17.464 -5.966 1.00 0.00 H new ATOM 0 HB3 SER A 53 -23.030 18.542 -7.139 1.00 0.00 H new ATOM 0 HG SER A 53 -23.529 16.466 -8.044 1.00 0.00 H new ATOM 929 N GLU A 54 -22.232 19.608 -4.242 1.00 0.00 N ATOM 930 CA GLU A 54 -22.170 20.968 -3.721 1.00 0.00 C ATOM 931 C GLU A 54 -20.869 21.206 -2.956 1.00 0.00 C ATOM 932 O GLU A 54 -20.172 22.192 -3.188 1.00 0.00 O ATOM 933 CB GLU A 54 -23.370 21.236 -2.809 1.00 0.00 C ATOM 934 CG GLU A 54 -24.016 22.594 -3.036 1.00 0.00 C ATOM 935 CD GLU A 54 -25.524 22.508 -3.168 1.00 0.00 C ATOM 936 OE1 GLU A 54 -26.195 22.249 -2.146 1.00 0.00 O ATOM 937 OE2 GLU A 54 -26.034 22.699 -4.291 1.00 0.00 O ATOM 0 H GLU A 54 -22.901 19.005 -3.763 1.00 0.00 H new ATOM 0 HA GLU A 54 -22.199 21.656 -4.566 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -24.116 20.457 -2.966 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -23.049 21.165 -1.770 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -23.765 23.255 -2.206 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -23.601 23.043 -3.938 1.00 0.00 H new ATOM 944 N LEU A 55 -20.558 20.297 -2.037 1.00 0.00 N ATOM 945 CA LEU A 55 -19.350 20.402 -1.223 1.00 0.00 C ATOM 946 C LEU A 55 -18.090 20.068 -2.021 1.00 0.00 C ATOM 947 O LEU A 55 -16.975 20.268 -1.541 1.00 0.00 O ATOM 948 CB LEU A 55 -19.452 19.473 -0.011 1.00 0.00 C ATOM 949 CG LEU A 55 -20.735 19.619 0.811 1.00 0.00 C ATOM 950 CD1 LEU A 55 -21.238 18.257 1.265 1.00 0.00 C ATOM 951 CD2 LEU A 55 -20.499 20.527 2.009 1.00 0.00 C ATOM 0 H LEU A 55 -21.128 19.476 -1.836 1.00 0.00 H new ATOM 0 HA LEU A 55 -19.270 21.437 -0.891 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -19.375 18.442 -0.355 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -18.598 19.656 0.641 1.00 0.00 H new ATOM 0 HG LEU A 55 -21.498 20.073 0.179 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -22.151 18.382 1.848 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -21.446 17.637 0.393 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -20.478 17.775 1.880 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -21.421 20.620 2.582 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -19.720 20.100 2.641 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -20.186 21.512 1.663 1.00 0.00 H new ATOM 963 N GLN A 56 -18.266 19.548 -3.231 1.00 0.00 N ATOM 964 CA GLN A 56 -17.133 19.178 -4.074 1.00 0.00 C ATOM 965 C GLN A 56 -16.256 20.390 -4.379 1.00 0.00 C ATOM 966 O GLN A 56 -15.037 20.272 -4.493 1.00 0.00 O ATOM 967 CB GLN A 56 -17.624 18.548 -5.378 1.00 0.00 C ATOM 968 CG GLN A 56 -16.501 18.124 -6.312 1.00 0.00 C ATOM 969 CD GLN A 56 -16.560 18.827 -7.654 1.00 0.00 C ATOM 970 OE1 GLN A 56 -17.311 18.428 -8.544 1.00 0.00 O ATOM 971 NE2 GLN A 56 -15.765 19.879 -7.807 1.00 0.00 N ATOM 0 H GLN A 56 -19.179 19.373 -3.650 1.00 0.00 H new ATOM 0 HA GLN A 56 -16.533 18.449 -3.529 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -18.237 17.678 -5.143 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -18.266 19.260 -5.896 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -15.542 18.333 -5.839 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -16.551 17.046 -6.468 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -15.158 20.175 -7.042 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -15.761 20.391 -8.689 1.00 0.00 H new ATOM 980 N GLY A 57 -16.884 21.552 -4.511 1.00 0.00 N ATOM 981 CA GLY A 57 -16.138 22.763 -4.804 1.00 0.00 C ATOM 982 C GLY A 57 -16.340 23.846 -3.758 1.00 0.00 C ATOM 983 O GLY A 57 -15.528 24.763 -3.645 1.00 0.00 O ATOM 0 H GLY A 57 -17.892 21.678 -4.421 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -15.077 22.523 -4.872 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -16.442 23.145 -5.779 1.00 0.00 H new ATOM 987 N LEU A 58 -17.424 23.742 -2.994 1.00 0.00 N ATOM 988 CA LEU A 58 -17.724 24.722 -1.956 1.00 0.00 C ATOM 989 C LEU A 58 -16.593 24.804 -0.937 1.00 0.00 C ATOM 990 O LEU A 58 -16.313 25.870 -0.388 1.00 0.00 O ATOM 991 CB LEU A 58 -19.035 24.365 -1.253 1.00 0.00 C ATOM 992 CG LEU A 58 -20.214 25.271 -1.599 1.00 0.00 C ATOM 993 CD1 LEU A 58 -20.882 24.811 -2.885 1.00 0.00 C ATOM 994 CD2 LEU A 58 -21.217 25.302 -0.456 1.00 0.00 C ATOM 0 H LEU A 58 -18.108 22.990 -3.074 1.00 0.00 H new ATOM 0 HA LEU A 58 -17.828 25.697 -2.433 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -19.298 23.338 -1.505 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -18.874 24.398 -0.175 1.00 0.00 H new ATOM 0 HG LEU A 58 -19.837 26.282 -1.752 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -21.720 25.469 -3.115 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -20.161 24.843 -3.701 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -21.245 23.791 -2.762 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -22.050 25.953 -0.721 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -21.588 24.294 -0.270 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -20.732 25.681 0.443 1.00 0.00 H new ATOM 1006 N GLY A 59 -15.948 23.672 -0.688 1.00 0.00 N ATOM 1007 CA GLY A 59 -14.855 23.636 0.266 1.00 0.00 C ATOM 1008 C GLY A 59 -14.304 22.237 0.466 1.00 0.00 C ATOM 1009 O GLY A 59 -15.060 21.266 0.499 1.00 0.00 O ATOM 0 H GLY A 59 -16.162 22.778 -1.129 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -14.055 24.292 -0.078 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -15.199 24.028 1.223 1.00 0.00 H new ATOM 1013 N ALA A 60 -12.987 22.135 0.598 1.00 0.00 N ATOM 1014 CA ALA A 60 -12.337 20.846 0.794 1.00 0.00 C ATOM 1015 C ALA A 60 -12.689 20.253 2.155 1.00 0.00 C ATOM 1016 O ALA A 60 -13.213 19.143 2.243 1.00 0.00 O ATOM 1017 CB ALA A 60 -10.828 20.990 0.651 1.00 0.00 C ATOM 0 H ALA A 60 -12.348 22.930 0.573 1.00 0.00 H new ATOM 0 HA ALA A 60 -12.700 20.163 0.026 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -10.354 20.020 0.800 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -10.591 21.361 -0.346 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -10.457 21.693 1.397 1.00 0.00 H new ATOM 1023 N LEU A 61 -12.397 21.002 3.215 1.00 0.00 N ATOM 1024 CA LEU A 61 -12.681 20.548 4.573 1.00 0.00 C ATOM 1025 C LEU A 61 -14.175 20.305 4.765 1.00 0.00 C ATOM 1026 O LEU A 61 -14.576 19.365 5.453 1.00 0.00 O ATOM 1027 CB LEU A 61 -12.184 21.577 5.589 1.00 0.00 C ATOM 1028 CG LEU A 61 -11.603 20.987 6.875 1.00 0.00 C ATOM 1029 CD1 LEU A 61 -10.181 20.500 6.643 1.00 0.00 C ATOM 1030 CD2 LEU A 61 -11.642 22.014 7.996 1.00 0.00 C ATOM 0 H LEU A 61 -11.965 21.924 3.160 1.00 0.00 H new ATOM 0 HA LEU A 61 -12.156 19.606 4.733 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -11.422 22.195 5.114 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -13.012 22.236 5.851 1.00 0.00 H new ATOM 0 HG LEU A 61 -12.213 20.133 7.170 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -9.784 20.083 7.569 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -10.181 19.732 5.870 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -9.558 21.335 6.324 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -11.225 21.578 8.904 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -11.055 22.887 7.710 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -12.674 22.314 8.179 1.00 0.00 H new ATOM 1042 N GLU A 62 -14.993 21.156 4.156 1.00 0.00 N ATOM 1043 CA GLU A 62 -16.443 21.031 4.264 1.00 0.00 C ATOM 1044 C GLU A 62 -16.920 19.704 3.684 1.00 0.00 C ATOM 1045 O GLU A 62 -17.773 19.032 4.266 1.00 0.00 O ATOM 1046 CB GLU A 62 -17.130 22.193 3.542 1.00 0.00 C ATOM 1047 CG GLU A 62 -17.514 23.339 4.464 1.00 0.00 C ATOM 1048 CD GLU A 62 -16.316 23.964 5.149 1.00 0.00 C ATOM 1049 OE1 GLU A 62 -15.488 23.209 5.704 1.00 0.00 O ATOM 1050 OE2 GLU A 62 -16.202 25.208 5.131 1.00 0.00 O ATOM 0 H GLU A 62 -14.678 21.939 3.583 1.00 0.00 H new ATOM 0 HA GLU A 62 -16.708 21.060 5.321 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -16.466 22.570 2.764 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -18.026 21.822 3.044 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -18.038 24.103 3.889 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -18.210 22.975 5.219 1.00 0.00 H new ATOM 1057 N ALA A 63 -16.366 19.332 2.537 1.00 0.00 N ATOM 1058 CA ALA A 63 -16.736 18.084 1.878 1.00 0.00 C ATOM 1059 C ALA A 63 -16.287 16.875 2.692 1.00 0.00 C ATOM 1060 O ALA A 63 -17.034 15.909 2.848 1.00 0.00 O ATOM 1061 CB ALA A 63 -16.139 18.030 0.479 1.00 0.00 C ATOM 0 H ALA A 63 -15.659 19.876 2.043 1.00 0.00 H new ATOM 0 HA ALA A 63 -17.823 18.053 1.801 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -16.423 17.094 -0.002 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -16.514 18.868 -0.109 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -15.053 18.090 0.544 1.00 0.00 H new ATOM 1067 N THR A 64 -15.064 16.935 3.209 1.00 0.00 N ATOM 1068 CA THR A 64 -14.518 15.841 4.004 1.00 0.00 C ATOM 1069 C THR A 64 -15.266 15.697 5.325 1.00 0.00 C ATOM 1070 O THR A 64 -15.702 14.605 5.687 1.00 0.00 O ATOM 1071 CB THR A 64 -13.030 16.072 4.272 1.00 0.00 C ATOM 1072 OG1 THR A 64 -12.392 16.612 3.127 1.00 0.00 O ATOM 1073 CG2 THR A 64 -12.288 14.811 4.659 1.00 0.00 C ATOM 0 H THR A 64 -14.433 17.728 3.092 1.00 0.00 H new ATOM 0 HA THR A 64 -14.641 14.919 3.436 1.00 0.00 H new ATOM 0 HB THR A 64 -12.992 16.768 5.110 1.00 0.00 H new ATOM 0 HG1 THR A 64 -12.653 17.550 3.019 1.00 0.00 H new ATOM 0 HG21 THR A 64 -11.238 15.046 4.835 1.00 0.00 H new ATOM 0 HG22 THR A 64 -12.724 14.397 5.568 1.00 0.00 H new ATOM 0 HG23 THR A 64 -12.366 14.081 3.853 1.00 0.00 H new ATOM 1081 N ALA A 65 -15.408 16.806 6.045 1.00 0.00 N ATOM 1082 CA ALA A 65 -16.103 16.801 7.326 1.00 0.00 C ATOM 1083 C ALA A 65 -17.564 16.395 7.160 1.00 0.00 C ATOM 1084 O ALA A 65 -18.091 15.603 7.941 1.00 0.00 O ATOM 1085 CB ALA A 65 -16.005 18.168 7.987 1.00 0.00 C ATOM 0 H ALA A 65 -15.051 17.719 5.762 1.00 0.00 H new ATOM 0 HA ALA A 65 -15.620 16.064 7.968 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -16.529 18.148 8.943 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -14.957 18.418 8.153 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -16.459 18.918 7.340 1.00 0.00 H new ATOM 1091 N TRP A 66 -18.211 16.941 6.138 1.00 0.00 N ATOM 1092 CA TRP A 66 -19.611 16.633 5.868 1.00 0.00 C ATOM 1093 C TRP A 66 -19.774 15.177 5.443 1.00 0.00 C ATOM 1094 O TRP A 66 -20.705 14.495 5.870 1.00 0.00 O ATOM 1095 CB TRP A 66 -20.160 17.558 4.780 1.00 0.00 C ATOM 1096 CG TRP A 66 -21.655 17.545 4.689 1.00 0.00 C ATOM 1097 CD1 TRP A 66 -22.521 18.392 5.318 1.00 0.00 C ATOM 1098 CD2 TRP A 66 -22.460 16.640 3.926 1.00 0.00 C ATOM 1099 NE1 TRP A 66 -23.816 18.068 4.992 1.00 0.00 N ATOM 1100 CE2 TRP A 66 -23.805 16.997 4.138 1.00 0.00 C ATOM 1101 CE3 TRP A 66 -22.175 15.564 3.081 1.00 0.00 C ATOM 1102 CZ2 TRP A 66 -24.860 16.316 3.538 1.00 0.00 C ATOM 1103 CZ3 TRP A 66 -23.224 14.887 2.486 1.00 0.00 C ATOM 1104 CH2 TRP A 66 -24.552 15.266 2.716 1.00 0.00 C ATOM 0 H TRP A 66 -17.790 17.599 5.482 1.00 0.00 H new ATOM 0 HA TRP A 66 -20.175 16.791 6.787 1.00 0.00 H new ATOM 0 HB2 TRP A 66 -19.824 18.576 4.975 1.00 0.00 H new ATOM 0 HB3 TRP A 66 -19.742 17.263 3.817 1.00 0.00 H new ATOM 0 HD1 TRP A 66 -22.231 19.198 5.975 1.00 0.00 H new ATOM 0 HE1 TRP A 66 -24.650 18.547 5.331 1.00 0.00 H new ATOM 0 HE3 TRP A 66 -21.153 15.266 2.896 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 -25.885 16.606 3.715 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 -23.015 14.052 1.833 1.00 0.00 H new ATOM 0 HH2 TRP A 66 -25.349 14.719 2.235 1.00 0.00 H new ATOM 1115 N ALA A 67 -18.862 14.710 4.598 1.00 0.00 N ATOM 1116 CA ALA A 67 -18.902 13.335 4.112 1.00 0.00 C ATOM 1117 C ALA A 67 -18.631 12.345 5.239 1.00 0.00 C ATOM 1118 O ALA A 67 -19.228 11.270 5.289 1.00 0.00 O ATOM 1119 CB ALA A 67 -17.896 13.145 2.987 1.00 0.00 C ATOM 0 H ALA A 67 -18.086 15.263 4.235 1.00 0.00 H new ATOM 0 HA ALA A 67 -19.903 13.141 3.727 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -17.936 12.115 2.633 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -18.137 13.820 2.166 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -16.893 13.364 3.355 1.00 0.00 H new ATOM 1125 N LEU A 68 -17.724 12.713 6.140 1.00 0.00 N ATOM 1126 CA LEU A 68 -17.371 11.853 7.264 1.00 0.00 C ATOM 1127 C LEU A 68 -18.560 11.654 8.199 1.00 0.00 C ATOM 1128 O LEU A 68 -18.848 10.534 8.622 1.00 0.00 O ATOM 1129 CB LEU A 68 -16.196 12.452 8.039 1.00 0.00 C ATOM 1130 CG LEU A 68 -14.816 12.175 7.439 1.00 0.00 C ATOM 1131 CD1 LEU A 68 -13.741 12.928 8.205 1.00 0.00 C ATOM 1132 CD2 LEU A 68 -14.526 10.681 7.439 1.00 0.00 C ATOM 0 H LEU A 68 -17.221 13.600 6.113 1.00 0.00 H new ATOM 0 HA LEU A 68 -17.082 10.881 6.865 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -16.337 13.531 8.105 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -16.217 12.064 9.058 1.00 0.00 H new ATOM 0 HG LEU A 68 -14.811 12.526 6.407 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -12.766 12.719 7.764 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -13.940 13.998 8.154 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -13.744 12.607 9.247 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -13.541 10.502 7.009 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -14.549 10.306 8.462 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -15.280 10.164 6.846 1.00 0.00 H new ATOM 1144 N LYS A 69 -19.244 12.747 8.525 1.00 0.00 N ATOM 1145 CA LYS A 69 -20.397 12.686 9.417 1.00 0.00 C ATOM 1146 C LYS A 69 -21.541 11.899 8.785 1.00 0.00 C ATOM 1147 O LYS A 69 -22.122 11.016 9.416 1.00 0.00 O ATOM 1148 CB LYS A 69 -20.867 14.100 9.771 1.00 0.00 C ATOM 1149 CG LYS A 69 -21.147 14.295 11.253 1.00 0.00 C ATOM 1150 CD LYS A 69 -22.604 14.015 11.588 1.00 0.00 C ATOM 1151 CE LYS A 69 -23.387 15.301 11.796 1.00 0.00 C ATOM 1152 NZ LYS A 69 -24.743 15.231 11.188 1.00 0.00 N ATOM 0 H LYS A 69 -19.021 13.683 8.186 1.00 0.00 H new ATOM 0 HA LYS A 69 -20.091 12.171 10.328 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -20.108 14.816 9.456 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -21.772 14.325 9.206 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -20.505 13.634 11.835 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -20.897 15.316 11.540 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -23.059 13.438 10.783 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -22.660 13.404 12.489 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -23.478 15.502 12.863 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -22.837 16.135 11.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -25.244 16.128 11.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -24.657 15.065 10.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -25.278 14.451 11.621 1.00 0.00 H new ATOM 1166 N VAL A 70 -21.858 12.220 7.535 1.00 0.00 N ATOM 1167 CA VAL A 70 -22.932 11.539 6.822 1.00 0.00 C ATOM 1168 C VAL A 70 -22.558 10.091 6.525 1.00 0.00 C ATOM 1169 O VAL A 70 -23.398 9.195 6.612 1.00 0.00 O ATOM 1170 CB VAL A 70 -23.276 12.253 5.500 1.00 0.00 C ATOM 1171 CG1 VAL A 70 -23.805 13.652 5.770 1.00 0.00 C ATOM 1172 CG2 VAL A 70 -22.061 12.302 4.585 1.00 0.00 C ATOM 0 H VAL A 70 -21.387 12.946 6.996 1.00 0.00 H new ATOM 0 HA VAL A 70 -23.807 11.561 7.472 1.00 0.00 H new ATOM 0 HB VAL A 70 -24.058 11.685 4.996 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -24.042 14.140 4.825 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -24.705 13.589 6.382 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -23.048 14.232 6.298 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -22.324 12.810 3.657 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -21.255 12.844 5.079 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -21.732 11.287 4.362 1.00 0.00 H new ATOM 1182 N ALA A 71 -21.293 9.868 6.181 1.00 0.00 N ATOM 1183 CA ALA A 71 -20.811 8.525 5.880 1.00 0.00 C ATOM 1184 C ALA A 71 -21.094 7.585 7.043 1.00 0.00 C ATOM 1185 O ALA A 71 -21.553 6.460 6.850 1.00 0.00 O ATOM 1186 CB ALA A 71 -19.322 8.553 5.569 1.00 0.00 C ATOM 0 H ALA A 71 -20.585 10.598 6.104 1.00 0.00 H new ATOM 0 HA ALA A 71 -21.341 8.156 5.002 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -18.978 7.543 5.347 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -19.142 9.196 4.707 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -18.778 8.940 6.430 1.00 0.00 H new ATOM 1192 N GLU A 72 -20.828 8.063 8.251 1.00 0.00 N ATOM 1193 CA GLU A 72 -21.066 7.279 9.455 1.00 0.00 C ATOM 1194 C GLU A 72 -22.563 7.121 9.699 1.00 0.00 C ATOM 1195 O GLU A 72 -23.026 6.072 10.144 1.00 0.00 O ATOM 1196 CB GLU A 72 -20.404 7.945 10.663 1.00 0.00 C ATOM 1197 CG GLU A 72 -20.379 7.065 11.903 1.00 0.00 C ATOM 1198 CD GLU A 72 -20.674 7.841 13.172 1.00 0.00 C ATOM 1199 OE1 GLU A 72 -21.705 8.546 13.210 1.00 0.00 O ATOM 1200 OE2 GLU A 72 -19.875 7.743 14.126 1.00 0.00 O ATOM 0 H GLU A 72 -20.446 8.993 8.423 1.00 0.00 H new ATOM 0 HA GLU A 72 -20.628 6.291 9.316 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -19.382 8.220 10.402 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -20.934 8.869 10.894 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -21.111 6.265 11.792 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -19.401 6.592 11.989 1.00 0.00 H new ATOM 1207 N ASN A 73 -23.317 8.177 9.411 1.00 0.00 N ATOM 1208 CA ASN A 73 -24.762 8.158 9.606 1.00 0.00 C ATOM 1209 C ASN A 73 -25.440 7.211 8.620 1.00 0.00 C ATOM 1210 O ASN A 73 -26.360 6.476 8.982 1.00 0.00 O ATOM 1211 CB ASN A 73 -25.334 9.569 9.453 1.00 0.00 C ATOM 1212 CG ASN A 73 -26.331 9.910 10.544 1.00 0.00 C ATOM 1213 OD1 ASN A 73 -26.825 9.030 11.247 1.00 0.00 O ATOM 1214 ND2 ASN A 73 -26.632 11.196 10.687 1.00 0.00 N ATOM 0 H ASN A 73 -22.952 9.055 9.042 1.00 0.00 H new ATOM 0 HA ASN A 73 -24.960 7.797 10.615 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -24.519 10.292 9.470 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -25.819 9.658 8.481 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -27.298 11.487 11.403 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -26.198 11.892 10.081 1.00 0.00 H new ATOM 1221 N GLU A 74 -24.984 7.236 7.372 1.00 0.00 N ATOM 1222 CA GLU A 74 -25.550 6.383 6.333 1.00 0.00 C ATOM 1223 C GLU A 74 -24.984 4.966 6.401 1.00 0.00 C ATOM 1224 O GLU A 74 -25.714 3.988 6.243 1.00 0.00 O ATOM 1225 CB GLU A 74 -25.284 6.985 4.953 1.00 0.00 C ATOM 1226 CG GLU A 74 -26.410 7.876 4.450 1.00 0.00 C ATOM 1227 CD GLU A 74 -26.084 9.352 4.576 1.00 0.00 C ATOM 1228 OE1 GLU A 74 -24.911 9.721 4.362 1.00 0.00 O ATOM 1229 OE2 GLU A 74 -27.004 10.138 4.887 1.00 0.00 O ATOM 0 H GLU A 74 -24.224 7.838 7.055 1.00 0.00 H new ATOM 0 HA GLU A 74 -26.625 6.324 6.501 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -24.362 7.565 4.990 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -25.124 6.178 4.238 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -26.616 7.641 3.406 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -27.319 7.659 5.011 1.00 0.00 H new ATOM 1236 N LEU A 75 -23.677 4.866 6.619 1.00 0.00 N ATOM 1237 CA LEU A 75 -23.010 3.570 6.690 1.00 0.00 C ATOM 1238 C LEU A 75 -22.687 3.181 8.131 1.00 0.00 C ATOM 1239 O LEU A 75 -23.201 2.187 8.645 1.00 0.00 O ATOM 1240 CB LEU A 75 -21.725 3.593 5.855 1.00 0.00 C ATOM 1241 CG LEU A 75 -21.673 2.573 4.716 1.00 0.00 C ATOM 1242 CD1 LEU A 75 -21.567 1.161 5.269 1.00 0.00 C ATOM 1243 CD2 LEU A 75 -22.895 2.708 3.822 1.00 0.00 C ATOM 0 H LEU A 75 -23.058 5.666 6.750 1.00 0.00 H new ATOM 0 HA LEU A 75 -23.693 2.823 6.286 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -21.601 4.591 5.434 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -20.877 3.419 6.517 1.00 0.00 H new ATOM 0 HG LEU A 75 -20.786 2.773 4.115 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -21.531 0.449 4.444 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -20.659 1.071 5.866 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -22.434 0.949 5.894 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -22.840 1.974 3.018 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -23.797 2.535 4.410 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -22.926 3.711 3.397 1.00 0.00 H new ATOM 1255 N GLY A 76 -21.829 3.966 8.775 1.00 0.00 N ATOM 1256 CA GLY A 76 -21.451 3.681 10.149 1.00 0.00 C ATOM 1257 C GLY A 76 -19.972 3.381 10.293 1.00 0.00 C ATOM 1258 O GLY A 76 -19.578 2.553 11.113 1.00 0.00 O ATOM 0 H GLY A 76 -21.389 4.793 8.372 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -21.709 4.533 10.778 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -22.028 2.831 10.513 1.00 0.00 H new ATOM 1262 N ILE A 77 -19.152 4.058 9.496 1.00 0.00 N ATOM 1263 CA ILE A 77 -17.709 3.860 9.541 1.00 0.00 C ATOM 1264 C ILE A 77 -17.072 4.704 10.640 1.00 0.00 C ATOM 1265 O ILE A 77 -17.331 5.903 10.743 1.00 0.00 O ATOM 1266 CB ILE A 77 -17.047 4.210 8.194 1.00 0.00 C ATOM 1267 CG1 ILE A 77 -17.823 3.570 7.039 1.00 0.00 C ATOM 1268 CG2 ILE A 77 -15.595 3.756 8.181 1.00 0.00 C ATOM 1269 CD1 ILE A 77 -17.858 2.058 7.098 1.00 0.00 C ATOM 0 H ILE A 77 -19.462 4.748 8.812 1.00 0.00 H new ATOM 0 HA ILE A 77 -17.544 2.804 9.753 1.00 0.00 H new ATOM 0 HB ILE A 77 -17.068 5.292 8.066 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -18.845 3.949 7.044 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -17.373 3.878 6.095 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -15.143 4.011 7.223 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -15.051 4.254 8.983 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -15.550 2.677 8.328 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -18.424 1.674 6.249 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -16.840 1.669 7.062 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -18.335 1.741 8.026 1.00 0.00 H new ATOM 1281 N THR A 78 -16.243 4.069 11.462 1.00 0.00 N ATOM 1282 CA THR A 78 -15.575 4.762 12.557 1.00 0.00 C ATOM 1283 C THR A 78 -14.448 5.653 12.033 1.00 0.00 C ATOM 1284 O THR A 78 -13.464 5.159 11.481 1.00 0.00 O ATOM 1285 CB THR A 78 -15.015 3.750 13.560 1.00 0.00 C ATOM 1286 OG1 THR A 78 -14.157 4.388 14.491 1.00 0.00 O ATOM 1287 CG2 THR A 78 -14.232 2.630 12.910 1.00 0.00 C ATOM 0 H THR A 78 -16.018 3.077 11.391 1.00 0.00 H new ATOM 0 HA THR A 78 -16.310 5.393 13.057 1.00 0.00 H new ATOM 0 HB THR A 78 -15.888 3.322 14.054 1.00 0.00 H new ATOM 0 HG1 THR A 78 -13.811 3.725 15.124 1.00 0.00 H new ATOM 0 HG21 THR A 78 -13.864 1.950 13.678 1.00 0.00 H new ATOM 0 HG22 THR A 78 -14.879 2.085 12.222 1.00 0.00 H new ATOM 0 HG23 THR A 78 -13.388 3.047 12.361 1.00 0.00 H new ATOM 1295 N PRO A 79 -14.575 6.984 12.197 1.00 0.00 N ATOM 1296 CA PRO A 79 -13.558 7.935 11.735 1.00 0.00 C ATOM 1297 C PRO A 79 -12.187 7.657 12.341 1.00 0.00 C ATOM 1298 O PRO A 79 -12.068 7.407 13.541 1.00 0.00 O ATOM 1299 CB PRO A 79 -14.085 9.293 12.209 1.00 0.00 C ATOM 1300 CG PRO A 79 -15.548 9.091 12.402 1.00 0.00 C ATOM 1301 CD PRO A 79 -15.712 7.666 12.841 1.00 0.00 C ATOM 0 HA PRO A 79 -13.412 7.876 10.656 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -13.603 9.602 13.137 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -13.888 10.072 11.473 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -15.942 9.778 13.151 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -16.094 9.280 11.478 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -15.676 7.572 13.926 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -16.667 7.252 12.517 1.00 0.00 H new ATOM 1309 N VAL A 80 -11.155 7.702 11.506 1.00 0.00 N ATOM 1310 CA VAL A 80 -9.792 7.455 11.962 1.00 0.00 C ATOM 1311 C VAL A 80 -8.849 8.591 11.567 1.00 0.00 C ATOM 1312 O VAL A 80 -7.653 8.540 11.854 1.00 0.00 O ATOM 1313 CB VAL A 80 -9.244 6.132 11.393 1.00 0.00 C ATOM 1314 CG1 VAL A 80 -7.911 5.785 12.037 1.00 0.00 C ATOM 1315 CG2 VAL A 80 -10.250 5.007 11.594 1.00 0.00 C ATOM 0 H VAL A 80 -11.236 7.907 10.510 1.00 0.00 H new ATOM 0 HA VAL A 80 -9.836 7.392 13.049 1.00 0.00 H new ATOM 0 HB VAL A 80 -9.082 6.258 10.322 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -7.540 4.848 11.623 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -7.192 6.580 11.837 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -8.044 5.678 13.114 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -9.846 4.080 11.186 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -10.446 4.880 12.659 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -11.180 5.254 11.081 1.00 0.00 H new ATOM 1325 N VAL A 81 -9.388 9.617 10.910 1.00 0.00 N ATOM 1326 CA VAL A 81 -8.585 10.757 10.486 1.00 0.00 C ATOM 1327 C VAL A 81 -9.418 12.034 10.458 1.00 0.00 C ATOM 1328 O VAL A 81 -10.647 11.984 10.413 1.00 0.00 O ATOM 1329 CB VAL A 81 -7.974 10.526 9.090 1.00 0.00 C ATOM 1330 CG1 VAL A 81 -6.976 9.379 9.126 1.00 0.00 C ATOM 1331 CG2 VAL A 81 -9.067 10.258 8.066 1.00 0.00 C ATOM 0 H VAL A 81 -10.375 9.680 10.661 1.00 0.00 H new ATOM 0 HA VAL A 81 -7.780 10.866 11.213 1.00 0.00 H new ATOM 0 HB VAL A 81 -7.443 11.430 8.793 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -6.555 9.231 8.131 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -6.175 9.615 9.827 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -7.481 8.467 9.446 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -8.616 10.097 7.087 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -9.629 9.370 8.357 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -9.740 11.114 8.020 1.00 0.00 H new ATOM 1341 N SER A 82 -8.741 13.178 10.485 1.00 0.00 N ATOM 1342 CA SER A 82 -9.421 14.467 10.463 1.00 0.00 C ATOM 1343 C SER A 82 -9.443 15.047 9.052 1.00 0.00 C ATOM 1344 O SER A 82 -8.639 14.665 8.203 1.00 0.00 O ATOM 1345 CB SER A 82 -8.737 15.446 11.419 1.00 0.00 C ATOM 1346 OG SER A 82 -8.095 14.759 12.480 1.00 0.00 O ATOM 0 H SER A 82 -7.723 13.238 10.522 1.00 0.00 H new ATOM 0 HA SER A 82 -10.450 14.312 10.789 1.00 0.00 H new ATOM 0 HB2 SER A 82 -8.006 16.042 10.873 1.00 0.00 H new ATOM 0 HB3 SER A 82 -9.475 16.139 11.824 1.00 0.00 H new ATOM 0 HG SER A 82 -7.664 15.407 13.076 1.00 0.00 H new ATOM 1352 N ALA A 83 -10.367 15.971 8.811 1.00 0.00 N ATOM 1353 CA ALA A 83 -10.493 16.602 7.503 1.00 0.00 C ATOM 1354 C ALA A 83 -9.244 17.406 7.157 1.00 0.00 C ATOM 1355 O ALA A 83 -8.749 17.349 6.032 1.00 0.00 O ATOM 1356 CB ALA A 83 -11.724 17.496 7.465 1.00 0.00 C ATOM 0 H ALA A 83 -11.039 16.299 9.504 1.00 0.00 H new ATOM 0 HA ALA A 83 -10.604 15.815 6.758 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -11.806 17.961 6.483 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -12.614 16.898 7.659 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -11.635 18.271 8.227 1.00 0.00 H new ATOM 1362 N GLN A 84 -8.740 18.157 8.133 1.00 0.00 N ATOM 1363 CA GLN A 84 -7.549 18.973 7.931 1.00 0.00 C ATOM 1364 C GLN A 84 -6.365 18.117 7.494 1.00 0.00 C ATOM 1365 O GLN A 84 -5.544 18.543 6.681 1.00 0.00 O ATOM 1366 CB GLN A 84 -7.199 19.728 9.215 1.00 0.00 C ATOM 1367 CG GLN A 84 -6.854 18.818 10.381 1.00 0.00 C ATOM 1368 CD GLN A 84 -6.289 19.577 11.566 1.00 0.00 C ATOM 1369 OE1 GLN A 84 -5.284 20.278 11.449 1.00 0.00 O ATOM 1370 NE2 GLN A 84 -6.935 19.441 12.719 1.00 0.00 N ATOM 0 H GLN A 84 -9.138 18.216 9.070 1.00 0.00 H new ATOM 0 HA GLN A 84 -7.764 19.691 7.140 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -6.355 20.389 9.019 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -8.041 20.361 9.496 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -7.748 18.278 10.693 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -6.130 18.072 10.053 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -7.764 18.850 12.772 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -6.601 19.928 13.551 1.00 0.00 H new ATOM 1379 N ALA A 85 -6.284 16.906 8.036 1.00 0.00 N ATOM 1380 CA ALA A 85 -5.203 15.989 7.701 1.00 0.00 C ATOM 1381 C ALA A 85 -5.318 15.507 6.259 1.00 0.00 C ATOM 1382 O ALA A 85 -4.330 15.471 5.525 1.00 0.00 O ATOM 1383 CB ALA A 85 -5.198 14.806 8.657 1.00 0.00 C ATOM 0 H ALA A 85 -6.955 16.538 8.710 1.00 0.00 H new ATOM 0 HA ALA A 85 -4.260 16.527 7.802 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -4.385 14.129 8.394 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.058 15.163 9.677 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.148 14.276 8.586 1.00 0.00 H new ATOM 1389 N VAL A 86 -6.530 15.135 5.861 1.00 0.00 N ATOM 1390 CA VAL A 86 -6.775 14.654 4.506 1.00 0.00 C ATOM 1391 C VAL A 86 -6.455 15.729 3.473 1.00 0.00 C ATOM 1392 O VAL A 86 -5.765 15.471 2.488 1.00 0.00 O ATOM 1393 CB VAL A 86 -8.236 14.203 4.325 1.00 0.00 C ATOM 1394 CG1 VAL A 86 -8.425 13.525 2.977 1.00 0.00 C ATOM 1395 CG2 VAL A 86 -8.655 13.280 5.460 1.00 0.00 C ATOM 0 H VAL A 86 -7.358 15.157 6.457 1.00 0.00 H new ATOM 0 HA VAL A 86 -6.117 13.799 4.352 1.00 0.00 H new ATOM 0 HB VAL A 86 -8.875 15.086 4.352 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -9.464 13.214 2.869 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -8.170 14.223 2.180 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -7.776 12.651 2.915 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -9.690 12.972 5.315 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -8.012 12.400 5.469 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -8.563 13.807 6.410 1.00 0.00 H new ATOM 1405 N VAL A 87 -6.964 16.935 3.704 1.00 0.00 N ATOM 1406 CA VAL A 87 -6.735 18.048 2.792 1.00 0.00 C ATOM 1407 C VAL A 87 -5.258 18.428 2.745 1.00 0.00 C ATOM 1408 O VAL A 87 -4.761 18.901 1.724 1.00 0.00 O ATOM 1409 CB VAL A 87 -7.561 19.286 3.197 1.00 0.00 C ATOM 1410 CG1 VAL A 87 -7.380 20.407 2.183 1.00 0.00 C ATOM 1411 CG2 VAL A 87 -9.031 18.924 3.341 1.00 0.00 C ATOM 0 H VAL A 87 -7.538 17.166 4.515 1.00 0.00 H new ATOM 0 HA VAL A 87 -7.052 17.716 1.803 1.00 0.00 H new ATOM 0 HB VAL A 87 -7.199 19.639 4.163 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -7.971 21.271 2.487 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -6.328 20.686 2.133 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -7.712 20.067 1.202 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -9.598 19.810 3.627 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -9.407 18.544 2.391 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -9.144 18.158 4.108 1.00 0.00 H new ATOM 1421 N ALA A 88 -4.561 18.219 3.859 1.00 0.00 N ATOM 1422 CA ALA A 88 -3.142 18.542 3.941 1.00 0.00 C ATOM 1423 C ALA A 88 -2.277 17.411 3.387 1.00 0.00 C ATOM 1424 O ALA A 88 -1.084 17.596 3.143 1.00 0.00 O ATOM 1425 CB ALA A 88 -2.755 18.845 5.380 1.00 0.00 C ATOM 0 H ALA A 88 -4.956 17.828 4.715 1.00 0.00 H new ATOM 0 HA ALA A 88 -2.965 19.427 3.329 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -1.693 19.085 5.428 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -3.335 19.694 5.742 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -2.959 17.974 6.003 1.00 0.00 H new ATOM 1431 N GLY A 89 -2.879 16.241 3.190 1.00 0.00 N ATOM 1432 CA GLY A 89 -2.140 15.106 2.666 1.00 0.00 C ATOM 1433 C GLY A 89 -0.917 14.774 3.497 1.00 0.00 C ATOM 1434 O GLY A 89 0.082 14.279 2.974 1.00 0.00 O ATOM 0 H GLY A 89 -3.864 16.059 3.384 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.796 14.236 2.628 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -1.832 15.319 1.642 1.00 0.00 H new ATOM 1438 N SER A 90 -0.992 15.050 4.795 1.00 0.00 N ATOM 1439 CA SER A 90 0.119 14.780 5.701 1.00 0.00 C ATOM 1440 C SER A 90 -0.191 13.591 6.606 1.00 0.00 C ATOM 1441 O SER A 90 0.202 13.569 7.772 1.00 0.00 O ATOM 1442 CB SER A 90 0.423 16.016 6.550 1.00 0.00 C ATOM 1443 OG SER A 90 1.309 16.892 5.874 1.00 0.00 O ATOM 0 H SER A 90 -1.811 15.461 5.243 1.00 0.00 H new ATOM 0 HA SER A 90 0.994 14.536 5.099 1.00 0.00 H new ATOM 0 HB2 SER A 90 -0.505 16.539 6.782 1.00 0.00 H new ATOM 0 HB3 SER A 90 0.862 15.710 7.499 1.00 0.00 H new ATOM 0 HG SER A 90 1.487 17.675 6.436 1.00 0.00 H new ATOM 1449 N ASP A 91 -0.894 12.604 6.061 1.00 0.00 N ATOM 1450 CA ASP A 91 -1.252 11.413 6.821 1.00 0.00 C ATOM 1451 C ASP A 91 -1.535 10.233 5.892 1.00 0.00 C ATOM 1452 O ASP A 91 -2.649 9.709 5.860 1.00 0.00 O ATOM 1453 CB ASP A 91 -2.474 11.693 7.699 1.00 0.00 C ATOM 1454 CG ASP A 91 -2.413 10.961 9.026 1.00 0.00 C ATOM 1455 OD1 ASP A 91 -1.492 11.247 9.819 1.00 0.00 O ATOM 1456 OD2 ASP A 91 -3.285 10.102 9.272 1.00 0.00 O ATOM 0 H ASP A 91 -1.227 12.606 5.097 1.00 0.00 H new ATOM 0 HA ASP A 91 -0.407 11.152 7.458 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -2.549 12.765 7.882 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -3.377 11.397 7.165 1.00 0.00 H new ATOM 1461 N PRO A 92 -0.524 9.796 5.121 1.00 0.00 N ATOM 1462 CA PRO A 92 -0.673 8.671 4.191 1.00 0.00 C ATOM 1463 C PRO A 92 -1.140 7.401 4.894 1.00 0.00 C ATOM 1464 O PRO A 92 -2.010 6.686 4.396 1.00 0.00 O ATOM 1465 CB PRO A 92 0.738 8.476 3.625 1.00 0.00 C ATOM 1466 CG PRO A 92 1.418 9.785 3.832 1.00 0.00 C ATOM 1467 CD PRO A 92 0.838 10.358 5.094 1.00 0.00 C ATOM 0 HA PRO A 92 -1.425 8.874 3.429 1.00 0.00 H new ATOM 0 HB2 PRO A 92 1.263 7.672 4.141 1.00 0.00 H new ATOM 0 HB3 PRO A 92 0.707 8.210 2.568 1.00 0.00 H new ATOM 0 HG2 PRO A 92 2.496 9.654 3.922 1.00 0.00 H new ATOM 0 HG3 PRO A 92 1.247 10.451 2.986 1.00 0.00 H new ATOM 0 HD2 PRO A 92 1.413 10.064 5.972 1.00 0.00 H new ATOM 0 HD3 PRO A 92 0.824 11.448 5.073 1.00 0.00 H new ATOM 1475 N LEU A 93 -0.559 7.130 6.060 1.00 0.00 N ATOM 1476 CA LEU A 93 -0.916 5.948 6.836 1.00 0.00 C ATOM 1477 C LEU A 93 -2.403 5.950 7.176 1.00 0.00 C ATOM 1478 O LEU A 93 -3.069 4.919 7.099 1.00 0.00 O ATOM 1479 CB LEU A 93 -0.083 5.886 8.119 1.00 0.00 C ATOM 1480 CG LEU A 93 1.126 4.949 8.061 1.00 0.00 C ATOM 1481 CD1 LEU A 93 0.676 3.506 7.902 1.00 0.00 C ATOM 1482 CD2 LEU A 93 2.054 5.349 6.925 1.00 0.00 C ATOM 0 H LEU A 93 0.161 7.713 6.487 1.00 0.00 H new ATOM 0 HA LEU A 93 -0.703 5.066 6.231 1.00 0.00 H new ATOM 0 HB2 LEU A 93 0.266 6.891 8.356 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -0.729 5.571 8.939 1.00 0.00 H new ATOM 0 HG LEU A 93 1.674 5.035 8.999 1.00 0.00 H new ATOM 0 HD11 LEU A 93 1.549 2.855 7.863 1.00 0.00 H new ATOM 0 HD12 LEU A 93 0.051 3.224 8.749 1.00 0.00 H new ATOM 0 HD13 LEU A 93 0.104 3.403 6.980 1.00 0.00 H new ATOM 0 HD21 LEU A 93 2.908 4.673 6.898 1.00 0.00 H new ATOM 0 HD22 LEU A 93 1.516 5.292 5.979 1.00 0.00 H new ATOM 0 HD23 LEU A 93 2.404 6.369 7.083 1.00 0.00 H new ATOM 1494 N GLY A 94 -2.916 7.117 7.552 1.00 0.00 N ATOM 1495 CA GLY A 94 -4.322 7.231 7.894 1.00 0.00 C ATOM 1496 C GLY A 94 -5.227 6.932 6.716 1.00 0.00 C ATOM 1497 O GLY A 94 -6.279 6.314 6.874 1.00 0.00 O ATOM 0 H GLY A 94 -2.384 7.984 7.626 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -4.552 6.545 8.709 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -4.524 8.238 8.258 1.00 0.00 H new ATOM 1501 N LEU A 95 -4.817 7.373 5.531 1.00 0.00 N ATOM 1502 CA LEU A 95 -5.597 7.149 4.319 1.00 0.00 C ATOM 1503 C LEU A 95 -5.759 5.657 4.044 1.00 0.00 C ATOM 1504 O LEU A 95 -6.842 5.196 3.682 1.00 0.00 O ATOM 1505 CB LEU A 95 -4.932 7.836 3.124 1.00 0.00 C ATOM 1506 CG LEU A 95 -5.538 9.185 2.732 1.00 0.00 C ATOM 1507 CD1 LEU A 95 -4.903 10.309 3.533 1.00 0.00 C ATOM 1508 CD2 LEU A 95 -5.372 9.428 1.240 1.00 0.00 C ATOM 0 H LEU A 95 -3.949 7.888 5.384 1.00 0.00 H new ATOM 0 HA LEU A 95 -6.587 7.580 4.468 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -3.876 7.982 3.350 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -4.985 7.168 2.265 1.00 0.00 H new ATOM 0 HG LEU A 95 -6.604 9.164 2.960 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -5.347 11.260 3.240 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -5.075 10.140 4.596 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -3.831 10.334 3.338 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -5.808 10.392 0.978 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -4.312 9.429 0.987 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -5.877 8.638 0.684 1.00 0.00 H new ATOM 1520 N ILE A 96 -4.675 4.906 4.215 1.00 0.00 N ATOM 1521 CA ILE A 96 -4.701 3.466 3.983 1.00 0.00 C ATOM 1522 C ILE A 96 -5.643 2.770 4.960 1.00 0.00 C ATOM 1523 O ILE A 96 -6.441 1.919 4.570 1.00 0.00 O ATOM 1524 CB ILE A 96 -3.296 2.846 4.113 1.00 0.00 C ATOM 1525 CG1 ILE A 96 -2.291 3.615 3.253 1.00 0.00 C ATOM 1526 CG2 ILE A 96 -3.326 1.377 3.716 1.00 0.00 C ATOM 1527 CD1 ILE A 96 -2.678 3.695 1.793 1.00 0.00 C ATOM 0 H ILE A 96 -3.770 5.270 4.513 1.00 0.00 H new ATOM 0 HA ILE A 96 -5.060 3.318 2.965 1.00 0.00 H new ATOM 0 HB ILE A 96 -2.981 2.915 5.154 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -2.186 4.625 3.648 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -1.315 3.137 3.336 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -2.326 0.953 3.813 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -4.013 0.838 4.368 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -3.660 1.286 2.682 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -1.919 4.254 1.246 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -2.755 2.689 1.381 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -3.639 4.200 1.699 1.00 0.00 H new ATOM 1539 N ALA A 97 -5.546 3.139 6.234 1.00 0.00 N ATOM 1540 CA ALA A 97 -6.391 2.550 7.267 1.00 0.00 C ATOM 1541 C ALA A 97 -7.869 2.749 6.948 1.00 0.00 C ATOM 1542 O ALA A 97 -8.676 1.832 7.097 1.00 0.00 O ATOM 1543 CB ALA A 97 -6.057 3.147 8.625 1.00 0.00 C ATOM 0 H ALA A 97 -4.891 3.843 6.575 1.00 0.00 H new ATOM 0 HA ALA A 97 -6.194 1.478 7.295 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -6.695 2.698 9.386 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -5.012 2.947 8.863 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -6.224 4.224 8.600 1.00 0.00 H new ATOM 1549 N TYR A 98 -8.216 3.956 6.507 1.00 0.00 N ATOM 1550 CA TYR A 98 -9.596 4.276 6.166 1.00 0.00 C ATOM 1551 C TYR A 98 -10.033 3.531 4.909 1.00 0.00 C ATOM 1552 O TYR A 98 -11.110 2.934 4.871 1.00 0.00 O ATOM 1553 CB TYR A 98 -9.755 5.785 5.964 1.00 0.00 C ATOM 1554 CG TYR A 98 -10.967 6.364 6.658 1.00 0.00 C ATOM 1555 CD1 TYR A 98 -11.278 6.011 7.965 1.00 0.00 C ATOM 1556 CD2 TYR A 98 -11.801 7.263 6.007 1.00 0.00 C ATOM 1557 CE1 TYR A 98 -12.385 6.538 8.603 1.00 0.00 C ATOM 1558 CE2 TYR A 98 -12.910 7.796 6.638 1.00 0.00 C ATOM 1559 CZ TYR A 98 -13.196 7.430 7.935 1.00 0.00 C ATOM 1560 OH TYR A 98 -14.299 7.958 8.567 1.00 0.00 O ATOM 0 H TYR A 98 -7.560 4.726 6.378 1.00 0.00 H new ATOM 0 HA TYR A 98 -10.233 3.958 6.992 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -8.861 6.289 6.332 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -9.823 5.995 4.897 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -10.644 5.313 8.492 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -11.580 7.551 4.990 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -12.613 6.252 9.619 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -13.548 8.495 6.117 1.00 0.00 H new ATOM 0 HH TYR A 98 -15.085 7.860 7.990 1.00 0.00 H new ATOM 1570 N LEU A 99 -9.191 3.569 3.882 1.00 0.00 N ATOM 1571 CA LEU A 99 -9.489 2.898 2.622 1.00 0.00 C ATOM 1572 C LEU A 99 -9.634 1.393 2.830 1.00 0.00 C ATOM 1573 O LEU A 99 -10.419 0.734 2.147 1.00 0.00 O ATOM 1574 CB LEU A 99 -8.391 3.181 1.595 1.00 0.00 C ATOM 1575 CG LEU A 99 -8.887 3.470 0.179 1.00 0.00 C ATOM 1576 CD1 LEU A 99 -7.744 3.964 -0.696 1.00 0.00 C ATOM 1577 CD2 LEU A 99 -9.524 2.229 -0.426 1.00 0.00 C ATOM 0 H LEU A 99 -8.296 4.058 3.897 1.00 0.00 H new ATOM 0 HA LEU A 99 -10.435 3.288 2.246 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -7.804 4.033 1.939 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -7.718 2.324 1.560 1.00 0.00 H new ATOM 0 HG LEU A 99 -9.643 4.254 0.232 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -8.116 4.165 -1.701 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -7.331 4.879 -0.272 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -6.966 3.202 -0.742 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -9.872 2.453 -1.434 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -8.789 1.425 -0.466 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -10.369 1.918 0.188 1.00 0.00 H new ATOM 1589 N SER A 100 -8.874 0.855 3.778 1.00 0.00 N ATOM 1590 CA SER A 100 -8.917 -0.571 4.075 1.00 0.00 C ATOM 1591 C SER A 100 -10.260 -0.958 4.686 1.00 0.00 C ATOM 1592 O SER A 100 -10.794 -2.031 4.403 1.00 0.00 O ATOM 1593 CB SER A 100 -7.781 -0.948 5.029 1.00 0.00 C ATOM 1594 OG SER A 100 -7.348 -2.279 4.804 1.00 0.00 O ATOM 0 H SER A 100 -8.221 1.386 4.354 1.00 0.00 H new ATOM 0 HA SER A 100 -8.793 -1.117 3.140 1.00 0.00 H new ATOM 0 HB2 SER A 100 -6.945 -0.262 4.893 1.00 0.00 H new ATOM 0 HB3 SER A 100 -8.117 -0.841 6.060 1.00 0.00 H new ATOM 0 HG SER A 100 -6.621 -2.496 5.424 1.00 0.00 H new ATOM 1600 N HIS A 101 -10.800 -0.079 5.524 1.00 0.00 N ATOM 1601 CA HIS A 101 -12.081 -0.329 6.173 1.00 0.00 C ATOM 1602 C HIS A 101 -13.230 -0.195 5.178 1.00 0.00 C ATOM 1603 O HIS A 101 -14.157 -1.005 5.170 1.00 0.00 O ATOM 1604 CB HIS A 101 -12.282 0.639 7.341 1.00 0.00 C ATOM 1605 CG HIS A 101 -12.193 -0.018 8.684 1.00 0.00 C ATOM 1606 ND1 HIS A 101 -13.179 -0.843 9.184 1.00 0.00 N ATOM 1607 CD2 HIS A 101 -11.230 0.031 9.632 1.00 0.00 C ATOM 1608 CE1 HIS A 101 -12.825 -1.272 10.382 1.00 0.00 C ATOM 1609 NE2 HIS A 101 -11.646 -0.757 10.678 1.00 0.00 N ATOM 0 H HIS A 101 -10.370 0.813 5.769 1.00 0.00 H new ATOM 0 HA HIS A 101 -12.075 -1.350 6.555 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -11.533 1.428 7.281 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -13.257 1.117 7.243 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -10.305 0.586 9.577 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -13.402 -1.932 11.012 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -11.128 -0.918 11.542 1.00 0.00 H new ATOM 1618 N PHE A 102 -13.160 0.833 4.337 1.00 0.00 N ATOM 1619 CA PHE A 102 -14.194 1.073 3.338 1.00 0.00 C ATOM 1620 C PHE A 102 -14.189 -0.022 2.277 1.00 0.00 C ATOM 1621 O PHE A 102 -15.243 -0.474 1.832 1.00 0.00 O ATOM 1622 CB PHE A 102 -13.986 2.438 2.678 1.00 0.00 C ATOM 1623 CG PHE A 102 -14.543 3.581 3.476 1.00 0.00 C ATOM 1624 CD1 PHE A 102 -14.084 3.839 4.757 1.00 0.00 C ATOM 1625 CD2 PHE A 102 -15.529 4.399 2.945 1.00 0.00 C ATOM 1626 CE1 PHE A 102 -14.594 4.890 5.494 1.00 0.00 C ATOM 1627 CE2 PHE A 102 -16.044 5.452 3.678 1.00 0.00 C ATOM 1628 CZ PHE A 102 -15.576 5.698 4.954 1.00 0.00 C ATOM 0 H PHE A 102 -12.399 1.512 4.328 1.00 0.00 H new ATOM 0 HA PHE A 102 -15.161 1.063 3.841 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -12.919 2.599 2.524 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -14.453 2.431 1.693 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -13.317 3.210 5.185 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -15.899 4.211 1.948 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -14.226 5.080 6.491 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -16.812 6.082 3.253 1.00 0.00 H new ATOM 0 HZ PHE A 102 -15.977 6.520 5.528 1.00 0.00 H new ATOM 1638 N HIS A 103 -12.995 -0.447 1.878 1.00 0.00 N ATOM 1639 CA HIS A 103 -12.851 -1.491 0.867 1.00 0.00 C ATOM 1640 C HIS A 103 -13.415 -2.818 1.368 1.00 0.00 C ATOM 1641 O HIS A 103 -14.219 -3.456 0.690 1.00 0.00 O ATOM 1642 CB HIS A 103 -11.379 -1.659 0.487 1.00 0.00 C ATOM 1643 CG HIS A 103 -11.150 -2.688 -0.578 1.00 0.00 C ATOM 1644 ND1 HIS A 103 -12.025 -3.417 -1.309 1.00 0.00 N flip ATOM 1645 CD2 HIS A 103 -9.892 -3.072 -0.994 1.00 0.00 C flip ATOM 1646 CE1 HIS A 103 -11.287 -4.218 -2.146 1.00 0.00 C flip ATOM 1647 NE2 HIS A 103 -10.004 -3.990 -1.937 1.00 0.00 N flip ATOM 0 H HIS A 103 -12.112 -0.085 2.239 1.00 0.00 H new ATOM 0 HA HIS A 103 -13.416 -1.189 -0.015 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -10.989 -0.701 0.145 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -10.812 -1.935 1.376 1.00 0.00 H new ATOM 0 HD1 HIS A 103 -13.043 -3.379 -1.250 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -8.961 -2.683 -0.609 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -11.691 -4.921 -2.860 1.00 0.00 H new ATOM 1656 N SER A 104 -12.982 -3.230 2.556 1.00 0.00 N ATOM 1657 CA SER A 104 -13.440 -4.482 3.146 1.00 0.00 C ATOM 1658 C SER A 104 -14.960 -4.504 3.282 1.00 0.00 C ATOM 1659 O SER A 104 -15.597 -5.534 3.065 1.00 0.00 O ATOM 1660 CB SER A 104 -12.793 -4.691 4.516 1.00 0.00 C ATOM 1661 OG SER A 104 -13.086 -5.980 5.027 1.00 0.00 O ATOM 0 H SER A 104 -12.314 -2.714 3.129 1.00 0.00 H new ATOM 0 HA SER A 104 -13.143 -5.293 2.481 1.00 0.00 H new ATOM 0 HB2 SER A 104 -11.713 -4.565 4.435 1.00 0.00 H new ATOM 0 HB3 SER A 104 -13.151 -3.931 5.211 1.00 0.00 H new ATOM 0 HG SER A 104 -12.660 -6.089 5.903 1.00 0.00 H new ATOM 1667 N ALA A 105 -15.535 -3.361 3.641 1.00 0.00 N ATOM 1668 CA ALA A 105 -16.980 -3.252 3.809 1.00 0.00 C ATOM 1669 C ALA A 105 -17.678 -3.095 2.462 1.00 0.00 C ATOM 1670 O ALA A 105 -18.704 -3.727 2.207 1.00 0.00 O ATOM 1671 CB ALA A 105 -17.318 -2.083 4.721 1.00 0.00 C ATOM 0 H ALA A 105 -15.023 -2.497 3.821 1.00 0.00 H new ATOM 0 HA ALA A 105 -17.339 -4.173 4.269 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -18.400 -2.013 4.838 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -16.857 -2.238 5.697 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -16.940 -1.159 4.283 1.00 0.00 H new ATOM 1677 N PHE A 106 -17.120 -2.247 1.605 1.00 0.00 N ATOM 1678 CA PHE A 106 -17.694 -2.007 0.285 1.00 0.00 C ATOM 1679 C PHE A 106 -17.611 -3.262 -0.579 1.00 0.00 C ATOM 1680 O PHE A 106 -18.469 -3.500 -1.429 1.00 0.00 O ATOM 1681 CB PHE A 106 -16.970 -0.849 -0.406 1.00 0.00 C ATOM 1682 CG PHE A 106 -17.402 0.511 0.071 1.00 0.00 C ATOM 1683 CD1 PHE A 106 -17.659 0.746 1.414 1.00 0.00 C ATOM 1684 CD2 PHE A 106 -17.547 1.557 -0.826 1.00 0.00 C ATOM 1685 CE1 PHE A 106 -18.053 1.997 1.850 1.00 0.00 C ATOM 1686 CE2 PHE A 106 -17.942 2.809 -0.394 1.00 0.00 C ATOM 1687 CZ PHE A 106 -18.193 3.029 0.945 1.00 0.00 C ATOM 0 H PHE A 106 -16.272 -1.715 1.800 1.00 0.00 H new ATOM 0 HA PHE A 106 -18.744 -1.744 0.414 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -15.897 -0.956 -0.245 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -17.139 -0.917 -1.481 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -17.550 -0.058 2.127 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -17.349 1.392 -1.875 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -18.251 2.167 2.898 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -18.054 3.615 -1.104 1.00 0.00 H new ATOM 0 HZ PHE A 106 -18.499 4.008 1.284 1.00 0.00 H new ATOM 1697 N LYS A 107 -16.571 -4.059 -0.357 1.00 0.00 N ATOM 1698 CA LYS A 107 -16.375 -5.290 -1.116 1.00 0.00 C ATOM 1699 C LYS A 107 -17.384 -6.355 -0.696 1.00 0.00 C ATOM 1700 O LYS A 107 -18.135 -6.872 -1.522 1.00 0.00 O ATOM 1701 CB LYS A 107 -14.953 -5.814 -0.923 1.00 0.00 C ATOM 1702 CG LYS A 107 -14.536 -6.841 -1.962 1.00 0.00 C ATOM 1703 CD LYS A 107 -13.475 -7.786 -1.419 1.00 0.00 C ATOM 1704 CE LYS A 107 -12.605 -8.350 -2.533 1.00 0.00 C ATOM 1705 NZ LYS A 107 -11.189 -7.908 -2.407 1.00 0.00 N ATOM 0 H LYS A 107 -15.851 -3.875 0.342 1.00 0.00 H new ATOM 0 HA LYS A 107 -16.530 -5.064 -2.171 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -14.258 -4.975 -0.955 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -14.870 -6.259 0.069 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -15.407 -7.414 -2.278 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -14.152 -6.331 -2.845 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -12.849 -7.257 -0.700 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -13.956 -8.604 -0.882 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -12.649 -9.439 -2.512 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -13.000 -8.033 -3.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -10.705 -8.029 -3.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -11.161 -6.906 -2.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -10.710 -8.480 -1.683 1.00 0.00 H new ATOM 1719 N SER A 108 -17.393 -6.677 0.593 1.00 0.00 N ATOM 1720 CA SER A 108 -18.309 -7.681 1.122 1.00 0.00 C ATOM 1721 C SER A 108 -19.759 -7.236 0.959 1.00 0.00 C ATOM 1722 O SER A 108 -20.590 -7.976 0.430 1.00 0.00 O ATOM 1723 CB SER A 108 -18.009 -7.947 2.599 1.00 0.00 C ATOM 1724 OG SER A 108 -16.617 -8.097 2.819 1.00 0.00 O ATOM 0 H SER A 108 -16.777 -6.258 1.290 1.00 0.00 H new ATOM 0 HA SER A 108 -18.165 -8.601 0.556 1.00 0.00 H new ATOM 0 HB2 SER A 108 -18.389 -7.124 3.204 1.00 0.00 H new ATOM 0 HB3 SER A 108 -18.530 -8.848 2.922 1.00 0.00 H new ATOM 0 HG SER A 108 -16.219 -7.221 3.007 1.00 0.00 H new ATOM 1730 N MET A 109 -20.055 -6.024 1.415 1.00 0.00 N ATOM 1731 CA MET A 109 -21.405 -5.481 1.320 1.00 0.00 C ATOM 1732 C MET A 109 -21.546 -4.588 0.091 1.00 0.00 C ATOM 1733 O MET A 109 -22.598 -4.668 -0.579 1.00 0.00 O ATOM 1734 CB MET A 109 -21.748 -4.688 2.582 1.00 0.00 C ATOM 1735 CG MET A 109 -23.237 -4.636 2.883 1.00 0.00 C ATOM 1736 SD MET A 109 -23.584 -4.486 4.647 1.00 0.00 S ATOM 1737 CE MET A 109 -23.681 -2.705 4.822 1.00 0.00 C ATOM 1738 OXT MET A 109 -20.607 -3.816 -0.190 1.00 0.00 O ATOM 0 H MET A 109 -19.379 -5.399 1.854 1.00 0.00 H new ATOM 0 HA MET A 109 -22.100 -6.315 1.223 1.00 0.00 H new ATOM 0 HB2 MET A 109 -21.229 -5.132 3.432 1.00 0.00 H new ATOM 0 HB3 MET A 109 -21.372 -3.671 2.475 1.00 0.00 H new ATOM 0 HG2 MET A 109 -23.681 -3.791 2.356 1.00 0.00 H new ATOM 0 HG3 MET A 109 -23.713 -5.538 2.498 1.00 0.00 H new ATOM 0 HE1 MET A 109 -23.891 -2.452 5.861 1.00 0.00 H new ATOM 0 HE2 MET A 109 -22.732 -2.258 4.525 1.00 0.00 H new ATOM 0 HE3 MET A 109 -24.478 -2.320 4.187 1.00 0.00 H new TER 1748 MET A 109