USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 657 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 Single : A 1 SER N :NH3+ 174:sc= -0.148 (180deg=-0.172) USER MOD Single : A 1 SER OG : rot 180:sc= -0.0121 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot -90:sc= -4.14! USER MOD Single : A 17 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0819) USER MOD Single : A 21 ASN : amide:sc= -6.77! C(o=-6.8!,f=-6.6!) USER MOD Single : A 22 ASN :FLIP amide:sc= -4.77! C(o=-9.7!,f=-4.8!) USER MOD Single : A 23 LYS NZ :NH3+ 156:sc= -2.42 (180deg=-3.71!) USER MOD Single : A 24 THR OG1 : rot -170:sc= -0.443 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 MET CE :methyl 131:sc= -0.844 (180deg=-1.95!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0863) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot -59:sc= -0.182 USER MOD Single : A 48 GLN : amide:sc= -0.28 K(o=-0.28,f=-0.79) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot -43:sc= 0.374 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 MET CE :methyl -175:sc= 0 (180deg=-0.05) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 79 SER OG : rot 180:sc= -0.414! USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 21.608 4.937 11.418 1.00 0.00 N ATOM 2 CA SER A 1 21.727 4.598 9.972 1.00 0.00 C ATOM 3 C SER A 1 20.769 3.454 9.637 1.00 0.00 C ATOM 4 O SER A 1 19.644 3.671 9.231 1.00 0.00 O ATOM 5 CB SER A 1 23.162 4.168 9.664 1.00 0.00 C ATOM 6 OG SER A 1 23.228 3.668 8.335 1.00 0.00 O ATOM 0 H1 SER A 1 22.329 5.643 11.669 1.00 0.00 H new ATOM 0 H2 SER A 1 20.662 5.326 11.607 1.00 0.00 H new ATOM 0 H3 SER A 1 21.750 4.079 11.989 1.00 0.00 H new ATOM 0 HA SER A 1 21.474 5.472 9.372 1.00 0.00 H new ATOM 0 HB2 SER A 1 23.840 5.013 9.781 1.00 0.00 H new ATOM 0 HB3 SER A 1 23.484 3.402 10.369 1.00 0.00 H new ATOM 0 HG SER A 1 24.147 3.393 8.134 1.00 0.00 H new ATOM 14 N ASP A 2 21.203 2.236 9.805 1.00 0.00 N ATOM 15 CA ASP A 2 20.316 1.079 9.498 1.00 0.00 C ATOM 16 C ASP A 2 19.266 0.937 10.602 1.00 0.00 C ATOM 17 O ASP A 2 19.009 -0.145 11.092 1.00 0.00 O ATOM 18 CB ASP A 2 21.152 -0.200 9.418 1.00 0.00 C ATOM 19 CG ASP A 2 20.283 -1.348 8.904 1.00 0.00 C ATOM 20 OD1 ASP A 2 20.035 -1.390 7.710 1.00 0.00 O ATOM 21 OD2 ASP A 2 19.878 -2.166 9.714 1.00 0.00 O ATOM 0 H ASP A 2 22.134 1.991 10.142 1.00 0.00 H new ATOM 0 HA ASP A 2 19.819 1.245 8.542 1.00 0.00 H new ATOM 0 HB2 ASP A 2 22.003 -0.049 8.754 1.00 0.00 H new ATOM 0 HB3 ASP A 2 21.554 -0.446 10.401 1.00 0.00 H new ATOM 26 N VAL A 3 18.659 2.024 11.000 1.00 0.00 N ATOM 27 CA VAL A 3 17.627 1.962 12.074 1.00 0.00 C ATOM 28 C VAL A 3 16.253 1.700 11.458 1.00 0.00 C ATOM 29 O VAL A 3 15.583 0.744 11.793 1.00 0.00 O ATOM 30 CB VAL A 3 17.591 3.290 12.819 1.00 0.00 C ATOM 31 CG1 VAL A 3 16.555 3.227 13.945 1.00 0.00 C ATOM 32 CG2 VAL A 3 18.971 3.582 13.412 1.00 0.00 C ATOM 0 H VAL A 3 18.835 2.956 10.625 1.00 0.00 H new ATOM 0 HA VAL A 3 17.877 1.156 12.763 1.00 0.00 H new ATOM 0 HB VAL A 3 17.318 4.083 12.123 1.00 0.00 H new ATOM 0 HG11 VAL A 3 16.534 4.180 14.474 1.00 0.00 H new ATOM 0 HG12 VAL A 3 15.571 3.025 13.523 1.00 0.00 H new ATOM 0 HG13 VAL A 3 16.822 2.432 14.641 1.00 0.00 H new ATOM 0 HG21 VAL A 3 18.944 4.532 13.945 1.00 0.00 H new ATOM 0 HG22 VAL A 3 19.246 2.786 14.104 1.00 0.00 H new ATOM 0 HG23 VAL A 3 19.707 3.636 12.610 1.00 0.00 H new ATOM 42 N TYR A 4 15.822 2.551 10.568 1.00 0.00 N ATOM 43 CA TYR A 4 14.483 2.363 9.942 1.00 0.00 C ATOM 44 C TYR A 4 14.502 1.114 9.056 1.00 0.00 C ATOM 45 O TYR A 4 13.469 0.582 8.701 1.00 0.00 O ATOM 46 CB TYR A 4 14.133 3.611 9.103 1.00 0.00 C ATOM 47 CG TYR A 4 13.442 4.647 9.967 1.00 0.00 C ATOM 48 CD1 TYR A 4 13.852 4.851 11.293 1.00 0.00 C ATOM 49 CD2 TYR A 4 12.386 5.402 9.442 1.00 0.00 C ATOM 50 CE1 TYR A 4 13.211 5.805 12.087 1.00 0.00 C ATOM 51 CE2 TYR A 4 11.743 6.358 10.238 1.00 0.00 C ATOM 52 CZ TYR A 4 12.156 6.560 11.561 1.00 0.00 C ATOM 53 OH TYR A 4 11.522 7.502 12.346 1.00 0.00 O ATOM 0 H TYR A 4 16.340 3.369 10.247 1.00 0.00 H new ATOM 0 HA TYR A 4 13.728 2.232 10.717 1.00 0.00 H new ATOM 0 HB2 TYR A 4 15.040 4.034 8.671 1.00 0.00 H new ATOM 0 HB3 TYR A 4 13.486 3.330 8.272 1.00 0.00 H new ATOM 0 HD1 TYR A 4 14.665 4.269 11.701 1.00 0.00 H new ATOM 0 HD2 TYR A 4 12.067 5.247 8.422 1.00 0.00 H new ATOM 0 HE1 TYR A 4 13.530 5.960 13.107 1.00 0.00 H new ATOM 0 HE2 TYR A 4 10.929 6.940 9.832 1.00 0.00 H new ATOM 0 HH TYR A 4 10.814 7.937 11.827 1.00 0.00 H new ATOM 63 N CYS A 5 15.662 0.638 8.699 1.00 0.00 N ATOM 64 CA CYS A 5 15.727 -0.578 7.843 1.00 0.00 C ATOM 65 C CYS A 5 15.224 -1.784 8.639 1.00 0.00 C ATOM 66 O CYS A 5 14.483 -2.607 8.139 1.00 0.00 O ATOM 67 CB CYS A 5 17.172 -0.822 7.406 1.00 0.00 C ATOM 68 SG CYS A 5 17.878 0.719 6.773 1.00 0.00 S ATOM 0 H CYS A 5 16.564 1.036 8.962 1.00 0.00 H new ATOM 0 HA CYS A 5 15.103 -0.435 6.961 1.00 0.00 H new ATOM 0 HB2 CYS A 5 17.761 -1.186 8.248 1.00 0.00 H new ATOM 0 HB3 CYS A 5 17.205 -1.593 6.636 1.00 0.00 H new ATOM 73 N GLU A 6 15.622 -1.895 9.877 1.00 0.00 N ATOM 74 CA GLU A 6 15.170 -3.050 10.705 1.00 0.00 C ATOM 75 C GLU A 6 13.736 -2.814 11.183 1.00 0.00 C ATOM 76 O GLU A 6 13.006 -3.744 11.465 1.00 0.00 O ATOM 77 CB GLU A 6 16.094 -3.198 11.917 1.00 0.00 C ATOM 78 CG GLU A 6 17.496 -3.589 11.445 1.00 0.00 C ATOM 79 CD GLU A 6 18.436 -3.676 12.649 1.00 0.00 C ATOM 80 OE1 GLU A 6 18.355 -2.809 13.503 1.00 0.00 O ATOM 81 OE2 GLU A 6 19.220 -4.610 12.697 1.00 0.00 O ATOM 0 H GLU A 6 16.240 -1.237 10.351 1.00 0.00 H new ATOM 0 HA GLU A 6 15.204 -3.960 10.105 1.00 0.00 H new ATOM 0 HB2 GLU A 6 16.134 -2.262 12.474 1.00 0.00 H new ATOM 0 HB3 GLU A 6 15.703 -3.956 12.596 1.00 0.00 H new ATOM 0 HG2 GLU A 6 17.462 -4.547 10.927 1.00 0.00 H new ATOM 0 HG3 GLU A 6 17.869 -2.854 10.732 1.00 0.00 H new ATOM 88 N VAL A 7 13.324 -1.579 11.280 1.00 0.00 N ATOM 89 CA VAL A 7 11.935 -1.286 11.744 1.00 0.00 C ATOM 90 C VAL A 7 10.971 -1.359 10.557 1.00 0.00 C ATOM 91 O VAL A 7 9.842 -1.785 10.688 1.00 0.00 O ATOM 92 CB VAL A 7 11.880 0.120 12.350 1.00 0.00 C ATOM 93 CG1 VAL A 7 10.490 0.366 12.937 1.00 0.00 C ATOM 94 CG2 VAL A 7 12.929 0.253 13.460 1.00 0.00 C ATOM 0 H VAL A 7 13.889 -0.759 11.058 1.00 0.00 H new ATOM 0 HA VAL A 7 11.647 -2.020 12.496 1.00 0.00 H new ATOM 0 HB VAL A 7 12.087 0.853 11.570 1.00 0.00 H new ATOM 0 HG11 VAL A 7 10.449 1.366 13.369 1.00 0.00 H new ATOM 0 HG12 VAL A 7 9.742 0.280 12.149 1.00 0.00 H new ATOM 0 HG13 VAL A 7 10.287 -0.372 13.712 1.00 0.00 H new ATOM 0 HG21 VAL A 7 12.883 1.255 13.886 1.00 0.00 H new ATOM 0 HG22 VAL A 7 12.729 -0.482 14.240 1.00 0.00 H new ATOM 0 HG23 VAL A 7 13.922 0.080 13.045 1.00 0.00 H new ATOM 104 N CYS A 8 11.407 -0.940 9.401 1.00 0.00 N ATOM 105 CA CYS A 8 10.515 -0.974 8.206 1.00 0.00 C ATOM 106 C CYS A 8 10.336 -2.420 7.731 1.00 0.00 C ATOM 107 O CYS A 8 9.372 -2.749 7.067 1.00 0.00 O ATOM 108 CB CYS A 8 11.140 -0.142 7.084 1.00 0.00 C ATOM 109 SG CYS A 8 12.561 -1.031 6.396 1.00 0.00 S ATOM 0 H CYS A 8 12.344 -0.575 9.231 1.00 0.00 H new ATOM 0 HA CYS A 8 9.541 -0.561 8.471 1.00 0.00 H new ATOM 0 HB2 CYS A 8 10.403 0.048 6.303 1.00 0.00 H new ATOM 0 HB3 CYS A 8 11.455 0.828 7.468 1.00 0.00 H new ATOM 114 N GLU A 9 11.257 -3.289 8.062 1.00 0.00 N ATOM 115 CA GLU A 9 11.123 -4.724 7.616 1.00 0.00 C ATOM 116 C GLU A 9 10.312 -5.510 8.647 1.00 0.00 C ATOM 117 O GLU A 9 9.600 -6.437 8.313 1.00 0.00 O ATOM 118 CB GLU A 9 12.501 -5.396 7.443 1.00 0.00 C ATOM 119 CG GLU A 9 13.285 -4.702 6.325 1.00 0.00 C ATOM 120 CD GLU A 9 14.754 -5.128 6.390 1.00 0.00 C ATOM 121 OE1 GLU A 9 15.039 -6.257 6.026 1.00 0.00 O ATOM 122 OE2 GLU A 9 15.567 -4.320 6.804 1.00 0.00 O ATOM 0 H GLU A 9 12.088 -3.079 8.614 1.00 0.00 H new ATOM 0 HA GLU A 9 10.615 -4.726 6.652 1.00 0.00 H new ATOM 0 HB2 GLU A 9 13.060 -5.344 8.377 1.00 0.00 H new ATOM 0 HB3 GLU A 9 12.373 -6.452 7.207 1.00 0.00 H new ATOM 0 HG2 GLU A 9 12.863 -4.962 5.355 1.00 0.00 H new ATOM 0 HG3 GLU A 9 13.204 -3.620 6.428 1.00 0.00 H new ATOM 129 N PHE A 10 10.415 -5.155 9.897 1.00 0.00 N ATOM 130 CA PHE A 10 9.655 -5.890 10.947 1.00 0.00 C ATOM 131 C PHE A 10 8.187 -5.454 10.935 1.00 0.00 C ATOM 132 O PHE A 10 7.310 -6.190 11.343 1.00 0.00 O ATOM 133 CB PHE A 10 10.266 -5.588 12.317 1.00 0.00 C ATOM 134 CG PHE A 10 9.437 -6.241 13.397 1.00 0.00 C ATOM 135 CD1 PHE A 10 9.723 -7.548 13.804 1.00 0.00 C ATOM 136 CD2 PHE A 10 8.381 -5.537 13.990 1.00 0.00 C ATOM 137 CE1 PHE A 10 8.955 -8.154 14.807 1.00 0.00 C ATOM 138 CE2 PHE A 10 7.613 -6.142 14.992 1.00 0.00 C ATOM 139 CZ PHE A 10 7.900 -7.451 15.400 1.00 0.00 C ATOM 0 H PHE A 10 10.993 -4.387 10.238 1.00 0.00 H new ATOM 0 HA PHE A 10 9.709 -6.960 10.746 1.00 0.00 H new ATOM 0 HB2 PHE A 10 11.291 -5.957 12.358 1.00 0.00 H new ATOM 0 HB3 PHE A 10 10.308 -4.511 12.478 1.00 0.00 H new ATOM 0 HD1 PHE A 10 10.536 -8.091 13.345 1.00 0.00 H new ATOM 0 HD2 PHE A 10 8.159 -4.528 13.674 1.00 0.00 H new ATOM 0 HE1 PHE A 10 9.177 -9.163 15.122 1.00 0.00 H new ATOM 0 HE2 PHE A 10 6.799 -5.600 15.450 1.00 0.00 H new ATOM 0 HZ PHE A 10 7.307 -7.918 16.172 1.00 0.00 H new ATOM 149 N LEU A 11 7.908 -4.260 10.484 1.00 0.00 N ATOM 150 CA LEU A 11 6.494 -3.779 10.464 1.00 0.00 C ATOM 151 C LEU A 11 5.790 -4.250 9.190 1.00 0.00 C ATOM 152 O LEU A 11 4.741 -4.861 9.244 1.00 0.00 O ATOM 153 CB LEU A 11 6.476 -2.249 10.510 1.00 0.00 C ATOM 154 CG LEU A 11 6.941 -1.755 11.887 1.00 0.00 C ATOM 155 CD1 LEU A 11 7.091 -0.230 11.843 1.00 0.00 C ATOM 156 CD2 LEU A 11 5.918 -2.147 12.977 1.00 0.00 C ATOM 0 H LEU A 11 8.597 -3.597 10.129 1.00 0.00 H new ATOM 0 HA LEU A 11 5.973 -4.185 11.331 1.00 0.00 H new ATOM 0 HB2 LEU A 11 7.126 -1.847 9.733 1.00 0.00 H new ATOM 0 HB3 LEU A 11 5.470 -1.883 10.305 1.00 0.00 H new ATOM 0 HG LEU A 11 7.898 -2.218 12.130 1.00 0.00 H new ATOM 0 HD11 LEU A 11 7.421 0.131 12.817 1.00 0.00 H new ATOM 0 HD12 LEU A 11 7.827 0.042 11.087 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.131 0.223 11.594 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.264 -1.789 13.947 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.952 -1.697 12.748 1.00 0.00 H new ATOM 0 HD23 LEU A 11 5.816 -3.232 13.007 1.00 0.00 H new ATOM 168 N VAL A 12 6.339 -3.956 8.044 1.00 0.00 N ATOM 169 CA VAL A 12 5.674 -4.374 6.779 1.00 0.00 C ATOM 170 C VAL A 12 5.559 -5.901 6.715 1.00 0.00 C ATOM 171 O VAL A 12 4.686 -6.426 6.064 1.00 0.00 O ATOM 172 CB VAL A 12 6.472 -3.856 5.581 1.00 0.00 C ATOM 173 CG1 VAL A 12 6.667 -2.342 5.723 1.00 0.00 C ATOM 174 CG2 VAL A 12 7.842 -4.557 5.503 1.00 0.00 C ATOM 0 H VAL A 12 7.215 -3.447 7.929 1.00 0.00 H new ATOM 0 HA VAL A 12 4.670 -3.950 6.751 1.00 0.00 H new ATOM 0 HB VAL A 12 5.923 -4.071 4.665 1.00 0.00 H new ATOM 0 HG11 VAL A 12 7.235 -1.967 4.872 1.00 0.00 H new ATOM 0 HG12 VAL A 12 5.694 -1.851 5.754 1.00 0.00 H new ATOM 0 HG13 VAL A 12 7.210 -2.130 6.644 1.00 0.00 H new ATOM 0 HG21 VAL A 12 8.397 -4.177 4.645 1.00 0.00 H new ATOM 0 HG22 VAL A 12 8.404 -4.359 6.416 1.00 0.00 H new ATOM 0 HG23 VAL A 12 7.695 -5.631 5.393 1.00 0.00 H new ATOM 184 N LYS A 13 6.431 -6.609 7.387 1.00 0.00 N ATOM 185 CA LYS A 13 6.380 -8.109 7.377 1.00 0.00 C ATOM 186 C LYS A 13 5.303 -8.609 8.349 1.00 0.00 C ATOM 187 O LYS A 13 4.611 -9.571 8.076 1.00 0.00 O ATOM 188 CB LYS A 13 7.748 -8.647 7.798 1.00 0.00 C ATOM 189 CG LYS A 13 7.767 -10.205 7.782 1.00 0.00 C ATOM 190 CD LYS A 13 8.272 -10.755 9.127 1.00 0.00 C ATOM 191 CE LYS A 13 7.153 -10.681 10.169 1.00 0.00 C ATOM 192 NZ LYS A 13 7.615 -11.310 11.439 1.00 0.00 N ATOM 0 H LYS A 13 7.184 -6.211 7.948 1.00 0.00 H new ATOM 0 HA LYS A 13 6.132 -8.461 6.376 1.00 0.00 H new ATOM 0 HB2 LYS A 13 8.516 -8.264 7.126 1.00 0.00 H new ATOM 0 HB3 LYS A 13 7.992 -8.287 8.798 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.765 -10.584 7.581 1.00 0.00 H new ATOM 0 HG3 LYS A 13 8.409 -10.558 6.975 1.00 0.00 H new ATOM 0 HD2 LYS A 13 8.603 -11.787 9.008 1.00 0.00 H new ATOM 0 HD3 LYS A 13 9.135 -10.181 9.465 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.874 -9.642 10.346 1.00 0.00 H new ATOM 0 HE3 LYS A 13 6.264 -11.192 9.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.855 -11.260 12.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 7.861 -12.305 11.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 8.452 -10.804 11.793 1.00 0.00 H new ATOM 206 N GLU A 14 5.146 -7.974 9.478 1.00 0.00 N ATOM 207 CA GLU A 14 4.102 -8.434 10.442 1.00 0.00 C ATOM 208 C GLU A 14 2.723 -8.105 9.856 1.00 0.00 C ATOM 209 O GLU A 14 1.907 -8.971 9.600 1.00 0.00 O ATOM 210 CB GLU A 14 4.291 -7.708 11.781 1.00 0.00 C ATOM 211 CG GLU A 14 3.575 -8.476 12.896 1.00 0.00 C ATOM 212 CD GLU A 14 2.065 -8.449 12.653 1.00 0.00 C ATOM 213 OE1 GLU A 14 1.587 -7.458 12.126 1.00 0.00 O ATOM 214 OE2 GLU A 14 1.413 -9.417 13.002 1.00 0.00 O ATOM 0 H GLU A 14 5.689 -7.163 9.775 1.00 0.00 H new ATOM 0 HA GLU A 14 4.185 -9.508 10.609 1.00 0.00 H new ATOM 0 HB2 GLU A 14 5.353 -7.622 12.011 1.00 0.00 H new ATOM 0 HB3 GLU A 14 3.896 -6.694 11.714 1.00 0.00 H new ATOM 0 HG2 GLU A 14 3.930 -9.506 12.927 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.805 -8.030 13.864 1.00 0.00 H new ATOM 221 N VAL A 15 2.467 -6.852 9.618 1.00 0.00 N ATOM 222 CA VAL A 15 1.161 -6.452 9.027 1.00 0.00 C ATOM 223 C VAL A 15 0.832 -7.405 7.882 1.00 0.00 C ATOM 224 O VAL A 15 -0.288 -7.828 7.725 1.00 0.00 O ATOM 225 CB VAL A 15 1.248 -5.009 8.522 1.00 0.00 C ATOM 226 CG1 VAL A 15 2.149 -4.939 7.287 1.00 0.00 C ATOM 227 CG2 VAL A 15 -0.155 -4.515 8.168 1.00 0.00 C ATOM 0 H VAL A 15 3.109 -6.083 9.808 1.00 0.00 H new ATOM 0 HA VAL A 15 0.372 -6.506 9.777 1.00 0.00 H new ATOM 0 HB VAL A 15 1.673 -4.378 9.302 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.205 -3.909 6.935 1.00 0.00 H new ATOM 0 HG12 VAL A 15 3.148 -5.289 7.546 1.00 0.00 H new ATOM 0 HG13 VAL A 15 1.736 -5.570 6.499 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.099 -3.488 7.808 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -0.579 -5.150 7.390 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.789 -4.555 9.054 1.00 0.00 H new ATOM 237 N THR A 16 1.814 -7.783 7.109 1.00 0.00 N ATOM 238 CA THR A 16 1.554 -8.742 6.007 1.00 0.00 C ATOM 239 C THR A 16 0.872 -9.979 6.600 1.00 0.00 C ATOM 240 O THR A 16 -0.099 -10.473 6.071 1.00 0.00 O ATOM 241 CB THR A 16 2.891 -9.136 5.347 1.00 0.00 C ATOM 242 OG1 THR A 16 3.937 -8.554 6.081 1.00 0.00 O ATOM 243 CG2 THR A 16 2.934 -8.626 3.906 1.00 0.00 C ATOM 0 H THR A 16 2.780 -7.468 7.195 1.00 0.00 H new ATOM 0 HA THR A 16 0.910 -8.293 5.250 1.00 0.00 H new ATOM 0 HB THR A 16 2.993 -10.221 5.338 1.00 0.00 H new ATOM 0 HG1 THR A 16 4.140 -7.668 5.715 1.00 0.00 H new ATOM 0 HG21 THR A 16 3.882 -8.909 3.448 1.00 0.00 H new ATOM 0 HG22 THR A 16 2.112 -9.065 3.340 1.00 0.00 H new ATOM 0 HG23 THR A 16 2.839 -7.540 3.901 1.00 0.00 H new ATOM 251 N LYS A 17 1.379 -10.484 7.700 1.00 0.00 N ATOM 252 CA LYS A 17 0.755 -11.689 8.325 1.00 0.00 C ATOM 253 C LYS A 17 -0.758 -11.491 8.373 1.00 0.00 C ATOM 254 O LYS A 17 -1.523 -12.417 8.190 1.00 0.00 O ATOM 255 CB LYS A 17 1.298 -11.894 9.748 1.00 0.00 C ATOM 256 CG LYS A 17 2.759 -12.382 9.693 1.00 0.00 C ATOM 257 CD LYS A 17 2.804 -13.911 9.561 1.00 0.00 C ATOM 258 CE LYS A 17 4.259 -14.377 9.505 1.00 0.00 C ATOM 259 NZ LYS A 17 4.825 -14.073 8.160 1.00 0.00 N ATOM 0 H LYS A 17 2.194 -10.114 8.189 1.00 0.00 H new ATOM 0 HA LYS A 17 0.997 -12.571 7.733 1.00 0.00 H new ATOM 0 HB2 LYS A 17 1.239 -10.959 10.306 1.00 0.00 H new ATOM 0 HB3 LYS A 17 0.683 -12.621 10.279 1.00 0.00 H new ATOM 0 HG2 LYS A 17 3.272 -11.922 8.849 1.00 0.00 H new ATOM 0 HG3 LYS A 17 3.288 -12.072 10.594 1.00 0.00 H new ATOM 0 HD2 LYS A 17 2.295 -14.374 10.406 1.00 0.00 H new ATOM 0 HD3 LYS A 17 2.276 -14.224 8.660 1.00 0.00 H new ATOM 0 HE2 LYS A 17 4.842 -13.878 10.279 1.00 0.00 H new ATOM 0 HE3 LYS A 17 4.317 -15.447 9.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 5.751 -14.536 8.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 4.180 -14.426 7.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 4.939 -13.045 8.056 1.00 0.00 H new ATOM 273 N LEU A 18 -1.198 -10.277 8.594 1.00 0.00 N ATOM 274 CA LEU A 18 -2.680 -10.012 8.624 1.00 0.00 C ATOM 275 C LEU A 18 -3.117 -9.580 7.222 1.00 0.00 C ATOM 276 O LEU A 18 -3.993 -10.161 6.619 1.00 0.00 O ATOM 277 CB LEU A 18 -3.037 -8.906 9.658 1.00 0.00 C ATOM 278 CG LEU A 18 -1.849 -8.633 10.579 1.00 0.00 C ATOM 279 CD1 LEU A 18 -2.171 -7.416 11.445 1.00 0.00 C ATOM 280 CD2 LEU A 18 -1.605 -9.864 11.468 1.00 0.00 C ATOM 0 H LEU A 18 -0.606 -9.462 8.754 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.202 -10.920 8.925 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.320 -7.991 9.138 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.899 -9.216 10.248 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.952 -8.435 9.993 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.331 -7.209 12.108 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.350 -6.552 10.806 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.062 -7.618 12.040 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.758 -9.674 12.127 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.494 -10.062 12.067 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.390 -10.729 10.841 1.00 0.00 H new ATOM 292 N ILE A 19 -2.496 -8.570 6.694 1.00 0.00 N ATOM 293 CA ILE A 19 -2.844 -8.103 5.337 1.00 0.00 C ATOM 294 C ILE A 19 -2.801 -9.314 4.396 1.00 0.00 C ATOM 295 O ILE A 19 -3.381 -9.308 3.327 1.00 0.00 O ATOM 296 CB ILE A 19 -1.796 -7.037 4.940 1.00 0.00 C ATOM 297 CG1 ILE A 19 -2.380 -5.624 5.069 1.00 0.00 C ATOM 298 CG2 ILE A 19 -1.280 -7.230 3.511 1.00 0.00 C ATOM 299 CD1 ILE A 19 -1.249 -4.583 5.025 1.00 0.00 C ATOM 0 H ILE A 19 -1.753 -8.043 7.153 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.840 -7.663 5.285 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.959 -7.160 5.627 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -3.088 -5.439 4.261 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.933 -5.534 6.004 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -0.547 -6.457 3.281 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -0.813 -8.211 3.422 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.113 -7.160 2.811 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.672 -3.582 5.117 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.557 -4.762 5.848 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.715 -4.666 4.078 1.00 0.00 H new ATOM 311 N ASP A 20 -2.109 -10.349 4.793 1.00 0.00 N ATOM 312 CA ASP A 20 -2.014 -11.562 3.937 1.00 0.00 C ATOM 313 C ASP A 20 -3.416 -11.924 3.440 1.00 0.00 C ATOM 314 O ASP A 20 -3.681 -11.929 2.253 1.00 0.00 O ATOM 315 CB ASP A 20 -1.443 -12.728 4.752 1.00 0.00 C ATOM 316 CG ASP A 20 -1.524 -14.019 3.933 1.00 0.00 C ATOM 317 OD1 ASP A 20 -1.022 -14.024 2.821 1.00 0.00 O ATOM 318 OD2 ASP A 20 -2.087 -14.979 4.432 1.00 0.00 O ATOM 0 H ASP A 20 -1.604 -10.404 5.678 1.00 0.00 H new ATOM 0 HA ASP A 20 -1.357 -11.365 3.090 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -0.407 -12.522 5.023 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -1.999 -12.841 5.682 1.00 0.00 H new ATOM 323 N ASN A 21 -4.325 -12.210 4.342 1.00 0.00 N ATOM 324 CA ASN A 21 -5.712 -12.551 3.915 1.00 0.00 C ATOM 325 C ASN A 21 -6.707 -12.281 5.043 1.00 0.00 C ATOM 326 O ASN A 21 -7.618 -13.051 5.275 1.00 0.00 O ATOM 327 CB ASN A 21 -5.793 -14.021 3.509 1.00 0.00 C ATOM 328 CG ASN A 21 -4.752 -14.314 2.427 1.00 0.00 C ATOM 329 OD1 ASN A 21 -3.710 -14.874 2.707 1.00 0.00 O ATOM 330 ND2 ASN A 21 -4.989 -13.957 1.195 1.00 0.00 N ATOM 0 H ASN A 21 -4.164 -12.221 5.349 1.00 0.00 H new ATOM 0 HA ASN A 21 -5.967 -11.924 3.061 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.620 -14.658 4.376 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -6.792 -14.252 3.139 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -4.300 -14.148 0.467 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -5.863 -13.487 0.959 1.00 0.00 H new ATOM 337 N ASN A 22 -6.563 -11.180 5.726 1.00 0.00 N ATOM 338 CA ASN A 22 -7.525 -10.841 6.815 1.00 0.00 C ATOM 339 C ASN A 22 -8.591 -9.925 6.226 1.00 0.00 C ATOM 340 O ASN A 22 -9.754 -10.267 6.153 1.00 0.00 O ATOM 341 CB ASN A 22 -6.792 -10.116 7.941 1.00 0.00 C ATOM 342 CG ASN A 22 -5.761 -11.058 8.564 1.00 0.00 C ATOM 343 OD1 ASN A 22 -5.098 -11.886 7.800 1.00 0.00 O flip ATOM 344 ND2 ASN A 22 -5.554 -11.041 9.761 1.00 0.00 N flip ATOM 0 H ASN A 22 -5.819 -10.498 5.578 1.00 0.00 H new ATOM 0 HA ASN A 22 -7.979 -11.746 7.219 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -6.299 -9.224 7.554 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -7.503 -9.784 8.698 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -6.070 -10.396 10.359 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -4.864 -11.672 10.168 1.00 0.00 H new ATOM 351 N LYS A 23 -8.188 -8.770 5.775 1.00 0.00 N ATOM 352 CA LYS A 23 -9.152 -7.823 5.148 1.00 0.00 C ATOM 353 C LYS A 23 -9.129 -8.059 3.637 1.00 0.00 C ATOM 354 O LYS A 23 -8.101 -7.961 3.000 1.00 0.00 O ATOM 355 CB LYS A 23 -8.741 -6.380 5.485 1.00 0.00 C ATOM 356 CG LYS A 23 -7.384 -6.026 4.826 1.00 0.00 C ATOM 357 CD LYS A 23 -7.612 -5.289 3.491 1.00 0.00 C ATOM 358 CE LYS A 23 -6.418 -5.517 2.557 1.00 0.00 C ATOM 359 NZ LYS A 23 -6.438 -4.506 1.463 1.00 0.00 N ATOM 0 H LYS A 23 -7.224 -8.439 5.814 1.00 0.00 H new ATOM 0 HA LYS A 23 -10.162 -7.984 5.526 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -9.509 -5.688 5.140 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -8.667 -6.261 6.566 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -6.798 -5.400 5.499 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.808 -6.935 4.653 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -8.527 -5.648 3.020 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -7.744 -4.222 3.673 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -5.486 -5.443 3.117 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -6.458 -6.522 2.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -5.476 -4.383 1.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -7.069 -4.830 0.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -6.783 -3.598 1.836 1.00 0.00 H new ATOM 373 N THR A 24 -10.247 -8.395 3.055 1.00 0.00 N ATOM 374 CA THR A 24 -10.266 -8.655 1.587 1.00 0.00 C ATOM 375 C THR A 24 -10.337 -7.327 0.829 1.00 0.00 C ATOM 376 O THR A 24 -10.177 -6.266 1.399 1.00 0.00 O ATOM 377 CB THR A 24 -11.475 -9.527 1.240 1.00 0.00 C ATOM 378 OG1 THR A 24 -12.634 -9.003 1.871 1.00 0.00 O ATOM 379 CG2 THR A 24 -11.225 -10.959 1.728 1.00 0.00 C ATOM 0 H THR A 24 -11.144 -8.501 3.529 1.00 0.00 H new ATOM 0 HA THR A 24 -9.355 -9.178 1.296 1.00 0.00 H new ATOM 0 HB THR A 24 -11.624 -9.532 0.160 1.00 0.00 H new ATOM 0 HG1 THR A 24 -13.372 -9.641 1.782 1.00 0.00 H new ATOM 0 HG21 THR A 24 -12.085 -11.582 1.482 1.00 0.00 H new ATOM 0 HG22 THR A 24 -10.336 -11.359 1.241 1.00 0.00 H new ATOM 0 HG23 THR A 24 -11.077 -10.955 2.808 1.00 0.00 H new ATOM 387 N GLU A 25 -10.556 -7.377 -0.460 1.00 0.00 N ATOM 388 CA GLU A 25 -10.615 -6.117 -1.265 1.00 0.00 C ATOM 389 C GLU A 25 -12.054 -5.601 -1.340 1.00 0.00 C ATOM 390 O GLU A 25 -12.363 -4.726 -2.124 1.00 0.00 O ATOM 391 CB GLU A 25 -10.110 -6.393 -2.683 1.00 0.00 C ATOM 392 CG GLU A 25 -8.824 -7.221 -2.620 1.00 0.00 C ATOM 393 CD GLU A 25 -8.211 -7.319 -4.017 1.00 0.00 C ATOM 394 OE1 GLU A 25 -8.965 -7.294 -4.977 1.00 0.00 O ATOM 395 OE2 GLU A 25 -6.999 -7.420 -4.105 1.00 0.00 O ATOM 0 H GLU A 25 -10.697 -8.236 -0.991 1.00 0.00 H new ATOM 0 HA GLU A 25 -9.989 -5.365 -0.785 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -10.870 -6.927 -3.253 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -9.924 -5.453 -3.203 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -8.115 -6.760 -1.932 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.039 -8.218 -2.235 1.00 0.00 H new ATOM 402 N LYS A 26 -12.934 -6.119 -0.532 1.00 0.00 N ATOM 403 CA LYS A 26 -14.342 -5.641 -0.565 1.00 0.00 C ATOM 404 C LYS A 26 -14.439 -4.412 0.330 1.00 0.00 C ATOM 405 O LYS A 26 -15.022 -3.406 -0.026 1.00 0.00 O ATOM 406 CB LYS A 26 -15.271 -6.751 -0.052 1.00 0.00 C ATOM 407 CG LYS A 26 -14.750 -8.106 -0.517 1.00 0.00 C ATOM 408 CD LYS A 26 -14.609 -8.100 -2.040 1.00 0.00 C ATOM 409 CE LYS A 26 -14.349 -9.521 -2.519 1.00 0.00 C ATOM 410 NZ LYS A 26 -14.354 -9.556 -4.009 1.00 0.00 N ATOM 0 H LYS A 26 -12.739 -6.852 0.150 1.00 0.00 H new ATOM 0 HA LYS A 26 -14.641 -5.385 -1.581 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -15.322 -6.723 1.036 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -16.284 -6.592 -0.422 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -13.787 -8.317 -0.052 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -15.433 -8.897 -0.207 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -15.516 -7.707 -2.500 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -13.790 -7.446 -2.340 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -13.389 -9.873 -2.140 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -15.112 -10.193 -2.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -14.176 -10.528 -4.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -15.279 -9.237 -4.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -13.610 -8.927 -4.374 1.00 0.00 H new ATOM 424 N GLU A 27 -13.844 -4.485 1.486 1.00 0.00 N ATOM 425 CA GLU A 27 -13.873 -3.324 2.404 1.00 0.00 C ATOM 426 C GLU A 27 -12.983 -2.226 1.826 1.00 0.00 C ATOM 427 O GLU A 27 -13.043 -1.081 2.228 1.00 0.00 O ATOM 428 CB GLU A 27 -13.345 -3.737 3.780 1.00 0.00 C ATOM 429 CG GLU A 27 -14.245 -4.822 4.376 1.00 0.00 C ATOM 430 CD GLU A 27 -15.616 -4.227 4.701 1.00 0.00 C ATOM 431 OE1 GLU A 27 -15.656 -3.224 5.396 1.00 0.00 O ATOM 432 OE2 GLU A 27 -16.604 -4.783 4.249 1.00 0.00 O ATOM 0 H GLU A 27 -13.339 -5.301 1.832 1.00 0.00 H new ATOM 0 HA GLU A 27 -14.896 -2.962 2.512 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -12.323 -4.107 3.692 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -13.315 -2.872 4.443 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -14.353 -5.647 3.672 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -13.791 -5.230 5.279 1.00 0.00 H new ATOM 439 N ILE A 28 -12.148 -2.576 0.883 1.00 0.00 N ATOM 440 CA ILE A 28 -11.238 -1.576 0.270 1.00 0.00 C ATOM 441 C ILE A 28 -11.951 -0.848 -0.875 1.00 0.00 C ATOM 442 O ILE A 28 -12.302 0.309 -0.744 1.00 0.00 O ATOM 443 CB ILE A 28 -10.011 -2.298 -0.272 1.00 0.00 C ATOM 444 CG1 ILE A 28 -9.232 -2.964 0.873 1.00 0.00 C ATOM 445 CG2 ILE A 28 -9.122 -1.299 -1.003 1.00 0.00 C ATOM 446 CD1 ILE A 28 -8.796 -1.934 1.923 1.00 0.00 C ATOM 0 H ILE A 28 -12.060 -3.522 0.511 1.00 0.00 H new ATOM 0 HA ILE A 28 -10.941 -0.844 1.021 1.00 0.00 H new ATOM 0 HB ILE A 28 -10.329 -3.076 -0.966 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -9.853 -3.726 1.344 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -8.355 -3.472 0.472 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -8.242 -1.812 -1.393 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -9.678 -0.853 -1.828 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -8.809 -0.516 -0.312 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -8.247 -2.436 2.720 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -8.154 -1.187 1.456 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -9.676 -1.445 2.341 1.00 0.00 H new ATOM 458 N LEU A 29 -12.169 -1.502 -2.000 1.00 0.00 N ATOM 459 CA LEU A 29 -12.860 -0.825 -3.135 1.00 0.00 C ATOM 460 C LEU A 29 -14.057 -0.032 -2.598 1.00 0.00 C ATOM 461 O LEU A 29 -14.499 0.928 -3.197 1.00 0.00 O ATOM 462 CB LEU A 29 -13.332 -1.887 -4.135 1.00 0.00 C ATOM 463 CG LEU A 29 -12.243 -2.174 -5.183 1.00 0.00 C ATOM 464 CD1 LEU A 29 -12.040 -0.969 -6.124 1.00 0.00 C ATOM 465 CD2 LEU A 29 -10.916 -2.534 -4.504 1.00 0.00 C ATOM 0 H LEU A 29 -11.897 -2.470 -2.173 1.00 0.00 H new ATOM 0 HA LEU A 29 -12.178 -0.138 -3.636 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -13.584 -2.806 -3.605 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -14.240 -1.547 -4.632 1.00 0.00 H new ATOM 0 HG LEU A 29 -12.578 -3.023 -5.778 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -11.264 -1.203 -6.853 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -12.973 -0.752 -6.644 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -11.739 -0.099 -5.541 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -10.161 -2.733 -5.264 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -10.591 -1.703 -3.878 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -11.052 -3.422 -3.887 1.00 0.00 H new ATOM 477 N ASP A 30 -14.564 -0.413 -1.458 1.00 0.00 N ATOM 478 CA ASP A 30 -15.705 0.341 -0.872 1.00 0.00 C ATOM 479 C ASP A 30 -15.165 1.658 -0.326 1.00 0.00 C ATOM 480 O ASP A 30 -15.694 2.724 -0.583 1.00 0.00 O ATOM 481 CB ASP A 30 -16.330 -0.462 0.272 1.00 0.00 C ATOM 482 CG ASP A 30 -17.194 -1.587 -0.302 1.00 0.00 C ATOM 483 OD1 ASP A 30 -16.856 -2.083 -1.363 1.00 0.00 O ATOM 484 OD2 ASP A 30 -18.178 -1.932 0.330 1.00 0.00 O ATOM 0 H ASP A 30 -14.239 -1.210 -0.910 1.00 0.00 H new ATOM 0 HA ASP A 30 -16.466 0.520 -1.632 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -15.548 -0.878 0.907 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -16.936 0.191 0.900 1.00 0.00 H new ATOM 489 N ALA A 31 -14.102 1.587 0.427 1.00 0.00 N ATOM 490 CA ALA A 31 -13.507 2.820 0.996 1.00 0.00 C ATOM 491 C ALA A 31 -13.346 3.862 -0.101 1.00 0.00 C ATOM 492 O ALA A 31 -13.517 5.037 0.124 1.00 0.00 O ATOM 493 CB ALA A 31 -12.158 2.498 1.613 1.00 0.00 C ATOM 0 H ALA A 31 -13.621 0.722 0.671 1.00 0.00 H new ATOM 0 HA ALA A 31 -14.164 3.218 1.769 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -11.723 3.406 2.030 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -12.287 1.760 2.405 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -11.494 2.096 0.847 1.00 0.00 H new ATOM 499 N PHE A 32 -13.036 3.447 -1.292 1.00 0.00 N ATOM 500 CA PHE A 32 -12.895 4.440 -2.384 1.00 0.00 C ATOM 501 C PHE A 32 -14.289 4.947 -2.750 1.00 0.00 C ATOM 502 O PHE A 32 -14.484 6.107 -3.043 1.00 0.00 O ATOM 503 CB PHE A 32 -12.223 3.790 -3.595 1.00 0.00 C ATOM 504 CG PHE A 32 -10.753 3.593 -3.299 1.00 0.00 C ATOM 505 CD1 PHE A 32 -10.345 2.576 -2.426 1.00 0.00 C ATOM 506 CD2 PHE A 32 -9.797 4.423 -3.901 1.00 0.00 C ATOM 507 CE1 PHE A 32 -8.983 2.391 -2.157 1.00 0.00 C ATOM 508 CE2 PHE A 32 -8.437 4.236 -3.631 1.00 0.00 C ATOM 509 CZ PHE A 32 -8.030 3.219 -2.760 1.00 0.00 C ATOM 0 H PHE A 32 -12.876 2.475 -1.555 1.00 0.00 H new ATOM 0 HA PHE A 32 -12.273 5.275 -2.061 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -12.693 2.832 -3.817 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -12.348 4.418 -4.477 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -11.080 1.935 -1.961 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -10.111 5.207 -4.574 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -8.668 1.608 -1.483 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -7.701 4.876 -4.095 1.00 0.00 H new ATOM 0 HZ PHE A 32 -6.980 3.073 -2.553 1.00 0.00 H new ATOM 519 N ASP A 33 -15.277 4.099 -2.704 1.00 0.00 N ATOM 520 CA ASP A 33 -16.647 4.572 -3.018 1.00 0.00 C ATOM 521 C ASP A 33 -17.127 5.419 -1.846 1.00 0.00 C ATOM 522 O ASP A 33 -18.252 5.878 -1.807 1.00 0.00 O ATOM 523 CB ASP A 33 -17.582 3.377 -3.218 1.00 0.00 C ATOM 524 CG ASP A 33 -17.041 2.484 -4.335 1.00 0.00 C ATOM 525 OD1 ASP A 33 -16.566 3.025 -5.321 1.00 0.00 O ATOM 526 OD2 ASP A 33 -17.109 1.276 -4.186 1.00 0.00 O ATOM 0 H ASP A 33 -15.195 3.111 -2.465 1.00 0.00 H new ATOM 0 HA ASP A 33 -16.645 5.159 -3.936 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -17.665 2.808 -2.292 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -18.584 3.724 -3.469 1.00 0.00 H new ATOM 531 N LYS A 34 -16.260 5.626 -0.887 1.00 0.00 N ATOM 532 CA LYS A 34 -16.609 6.443 0.316 1.00 0.00 C ATOM 533 C LYS A 34 -15.619 7.605 0.439 1.00 0.00 C ATOM 534 O LYS A 34 -15.952 8.754 0.229 1.00 0.00 O ATOM 535 CB LYS A 34 -16.483 5.554 1.561 1.00 0.00 C ATOM 536 CG LYS A 34 -17.574 4.464 1.555 1.00 0.00 C ATOM 537 CD LYS A 34 -17.093 3.217 2.323 1.00 0.00 C ATOM 538 CE LYS A 34 -16.467 3.621 3.664 1.00 0.00 C ATOM 539 NZ LYS A 34 -16.622 2.503 4.638 1.00 0.00 N ATOM 0 H LYS A 34 -15.309 5.257 -0.887 1.00 0.00 H new ATOM 0 HA LYS A 34 -17.624 6.830 0.224 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -15.497 5.090 1.587 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -16.573 6.162 2.461 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -18.485 4.850 2.011 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -17.821 4.194 0.528 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -17.932 2.542 2.495 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -16.363 2.672 1.724 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -15.411 3.857 3.529 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -16.948 4.521 4.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -16.198 2.774 5.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -17.633 2.298 4.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -16.143 1.655 4.272 1.00 0.00 H new ATOM 553 N MET A 35 -14.404 7.296 0.780 1.00 0.00 N ATOM 554 CA MET A 35 -13.355 8.341 0.931 1.00 0.00 C ATOM 555 C MET A 35 -13.146 9.045 -0.417 1.00 0.00 C ATOM 556 O MET A 35 -13.138 10.258 -0.497 1.00 0.00 O ATOM 557 CB MET A 35 -12.071 7.639 1.447 1.00 0.00 C ATOM 558 CG MET A 35 -10.782 8.133 0.757 1.00 0.00 C ATOM 559 SD MET A 35 -9.404 7.069 1.252 1.00 0.00 S ATOM 560 CE MET A 35 -10.006 5.541 0.478 1.00 0.00 C ATOM 0 H MET A 35 -14.085 6.345 0.965 1.00 0.00 H new ATOM 0 HA MET A 35 -13.641 9.111 1.647 1.00 0.00 H new ATOM 0 HB2 MET A 35 -11.984 7.801 2.521 1.00 0.00 H new ATOM 0 HB3 MET A 35 -12.167 6.564 1.294 1.00 0.00 H new ATOM 0 HG2 MET A 35 -10.903 8.113 -0.326 1.00 0.00 H new ATOM 0 HG3 MET A 35 -10.578 9.167 1.036 1.00 0.00 H new ATOM 0 HE1 MET A 35 -9.205 5.090 -0.108 1.00 0.00 H new ATOM 0 HE2 MET A 35 -10.327 4.843 1.252 1.00 0.00 H new ATOM 0 HE3 MET A 35 -10.848 5.771 -0.175 1.00 0.00 H new ATOM 570 N CYS A 36 -12.978 8.299 -1.479 1.00 0.00 N ATOM 571 CA CYS A 36 -12.775 8.940 -2.809 1.00 0.00 C ATOM 572 C CYS A 36 -14.146 9.299 -3.384 1.00 0.00 C ATOM 573 O CYS A 36 -14.310 9.509 -4.569 1.00 0.00 O ATOM 574 CB CYS A 36 -12.018 7.974 -3.736 1.00 0.00 C ATOM 575 SG CYS A 36 -11.884 8.692 -5.393 1.00 0.00 S ATOM 0 H CYS A 36 -12.973 7.279 -1.481 1.00 0.00 H new ATOM 0 HA CYS A 36 -12.179 9.848 -2.714 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -11.024 7.774 -3.335 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -12.540 7.018 -3.785 1.00 0.00 H new ATOM 580 N SER A 37 -15.136 9.389 -2.528 1.00 0.00 N ATOM 581 CA SER A 37 -16.512 9.754 -2.980 1.00 0.00 C ATOM 582 C SER A 37 -16.705 11.263 -2.798 1.00 0.00 C ATOM 583 O SER A 37 -17.145 11.961 -3.690 1.00 0.00 O ATOM 584 CB SER A 37 -17.543 9.003 -2.133 1.00 0.00 C ATOM 585 OG SER A 37 -18.781 8.962 -2.829 1.00 0.00 O ATOM 0 H SER A 37 -15.046 9.223 -1.526 1.00 0.00 H new ATOM 0 HA SER A 37 -16.643 9.485 -4.028 1.00 0.00 H new ATOM 0 HB2 SER A 37 -17.194 7.991 -1.928 1.00 0.00 H new ATOM 0 HB3 SER A 37 -17.670 9.498 -1.170 1.00 0.00 H new ATOM 0 HG SER A 37 -19.443 8.480 -2.291 1.00 0.00 H new ATOM 591 N LYS A 38 -16.377 11.758 -1.636 1.00 0.00 N ATOM 592 CA LYS A 38 -16.529 13.213 -1.358 1.00 0.00 C ATOM 593 C LYS A 38 -15.548 14.012 -2.221 1.00 0.00 C ATOM 594 O LYS A 38 -15.730 15.190 -2.453 1.00 0.00 O ATOM 595 CB LYS A 38 -16.223 13.471 0.120 1.00 0.00 C ATOM 596 CG LYS A 38 -14.831 12.922 0.459 1.00 0.00 C ATOM 597 CD LYS A 38 -14.613 12.966 1.972 1.00 0.00 C ATOM 598 CE LYS A 38 -13.138 12.706 2.282 1.00 0.00 C ATOM 599 NZ LYS A 38 -12.943 12.642 3.758 1.00 0.00 N ATOM 0 H LYS A 38 -16.006 11.210 -0.860 1.00 0.00 H new ATOM 0 HA LYS A 38 -17.548 13.523 -1.590 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -16.265 14.540 0.330 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -16.976 12.994 0.747 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -14.736 11.898 0.098 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -14.065 13.510 -0.046 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -14.913 13.937 2.365 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -15.236 12.218 2.462 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -12.818 11.771 1.822 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -12.521 13.498 1.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -11.940 12.465 3.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -13.233 13.545 4.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -13.520 11.871 4.151 1.00 0.00 H new ATOM 613 N LEU A 39 -14.504 13.378 -2.681 1.00 0.00 N ATOM 614 CA LEU A 39 -13.490 14.094 -3.518 1.00 0.00 C ATOM 615 C LEU A 39 -14.216 14.979 -4.565 1.00 0.00 C ATOM 616 O LEU A 39 -15.277 14.605 -5.025 1.00 0.00 O ATOM 617 CB LEU A 39 -12.605 13.036 -4.254 1.00 0.00 C ATOM 618 CG LEU A 39 -11.081 13.230 -3.955 1.00 0.00 C ATOM 619 CD1 LEU A 39 -10.557 12.070 -3.105 1.00 0.00 C ATOM 620 CD2 LEU A 39 -10.299 13.283 -5.274 1.00 0.00 C ATOM 0 H LEU A 39 -14.306 12.391 -2.514 1.00 0.00 H new ATOM 0 HA LEU A 39 -12.865 14.724 -2.885 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -12.909 12.035 -3.949 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -12.775 13.107 -5.328 1.00 0.00 H new ATOM 0 HG LEU A 39 -10.947 14.164 -3.409 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -9.496 12.217 -2.904 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -11.103 12.034 -2.163 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -10.698 11.132 -3.642 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -9.238 13.418 -5.063 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -10.444 12.351 -5.821 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -10.658 14.117 -5.877 1.00 0.00 H new ATOM 632 N PRO A 40 -13.632 16.109 -4.948 1.00 0.00 N ATOM 633 CA PRO A 40 -14.259 16.967 -5.967 1.00 0.00 C ATOM 634 C PRO A 40 -14.463 16.143 -7.245 1.00 0.00 C ATOM 635 O PRO A 40 -13.560 15.474 -7.705 1.00 0.00 O ATOM 636 CB PRO A 40 -13.261 18.127 -6.191 1.00 0.00 C ATOM 637 CG PRO A 40 -12.091 17.937 -5.188 1.00 0.00 C ATOM 638 CD PRO A 40 -12.343 16.621 -4.423 1.00 0.00 C ATOM 0 HA PRO A 40 -15.235 17.352 -5.670 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -12.891 18.122 -7.216 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -13.749 19.089 -6.033 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -11.138 17.897 -5.715 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -12.039 18.778 -4.497 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -11.537 15.907 -4.592 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -12.396 16.794 -3.348 1.00 0.00 H new ATOM 646 N LYS A 41 -15.643 16.184 -7.806 1.00 0.00 N ATOM 647 CA LYS A 41 -15.940 15.403 -9.045 1.00 0.00 C ATOM 648 C LYS A 41 -14.737 15.368 -9.985 1.00 0.00 C ATOM 649 O LYS A 41 -14.381 14.337 -10.522 1.00 0.00 O ATOM 650 CB LYS A 41 -17.104 16.064 -9.764 1.00 0.00 C ATOM 651 CG LYS A 41 -17.591 15.156 -10.893 1.00 0.00 C ATOM 652 CD LYS A 41 -18.840 15.779 -11.562 1.00 0.00 C ATOM 653 CE LYS A 41 -18.806 15.532 -13.073 1.00 0.00 C ATOM 654 NZ LYS A 41 -18.858 14.066 -13.339 1.00 0.00 N ATOM 0 H LYS A 41 -16.426 16.734 -7.453 1.00 0.00 H new ATOM 0 HA LYS A 41 -16.182 14.379 -8.761 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -17.916 16.257 -9.063 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -16.795 17.029 -10.167 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -16.800 15.021 -11.631 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -17.832 14.168 -10.500 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -19.745 15.346 -11.135 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -18.874 16.850 -11.361 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -19.649 16.029 -13.552 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -17.899 15.958 -13.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -19.022 13.903 -14.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -17.956 13.630 -13.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -19.632 13.641 -12.790 1.00 0.00 H new ATOM 668 N SER A 42 -14.120 16.486 -10.198 1.00 0.00 N ATOM 669 CA SER A 42 -12.949 16.530 -11.116 1.00 0.00 C ATOM 670 C SER A 42 -11.929 15.465 -10.717 1.00 0.00 C ATOM 671 O SER A 42 -11.625 14.562 -11.476 1.00 0.00 O ATOM 672 CB SER A 42 -12.292 17.908 -11.026 1.00 0.00 C ATOM 673 OG SER A 42 -11.422 18.088 -12.135 1.00 0.00 O ATOM 0 H SER A 42 -14.374 17.379 -9.776 1.00 0.00 H new ATOM 0 HA SER A 42 -13.287 16.340 -12.135 1.00 0.00 H new ATOM 0 HB2 SER A 42 -13.054 18.687 -11.017 1.00 0.00 H new ATOM 0 HB3 SER A 42 -11.734 17.997 -10.094 1.00 0.00 H new ATOM 0 HG SER A 42 -11.001 18.971 -12.080 1.00 0.00 H new ATOM 679 N LEU A 43 -11.391 15.563 -9.534 1.00 0.00 N ATOM 680 CA LEU A 43 -10.384 14.559 -9.100 1.00 0.00 C ATOM 681 C LEU A 43 -11.092 13.305 -8.593 1.00 0.00 C ATOM 682 O LEU A 43 -10.453 12.336 -8.252 1.00 0.00 O ATOM 683 CB LEU A 43 -9.506 15.143 -7.984 1.00 0.00 C ATOM 684 CG LEU A 43 -8.372 15.982 -8.578 1.00 0.00 C ATOM 685 CD1 LEU A 43 -8.945 17.262 -9.178 1.00 0.00 C ATOM 686 CD2 LEU A 43 -7.381 16.322 -7.467 1.00 0.00 C ATOM 0 H LEU A 43 -11.604 16.291 -8.853 1.00 0.00 H new ATOM 0 HA LEU A 43 -9.753 14.299 -9.950 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -10.113 15.759 -7.320 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -9.091 14.336 -7.380 1.00 0.00 H new ATOM 0 HG LEU A 43 -7.863 15.423 -9.364 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -8.137 17.859 -9.601 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -9.658 17.009 -9.963 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -9.450 17.834 -8.400 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.567 16.920 -7.876 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -7.890 16.887 -6.686 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -6.978 15.401 -7.045 1.00 0.00 H new ATOM 698 N SER A 44 -12.401 13.289 -8.568 1.00 0.00 N ATOM 699 CA SER A 44 -13.107 12.064 -8.116 1.00 0.00 C ATOM 700 C SER A 44 -13.134 11.143 -9.319 1.00 0.00 C ATOM 701 O SER A 44 -13.197 9.933 -9.212 1.00 0.00 O ATOM 702 CB SER A 44 -14.539 12.396 -7.667 1.00 0.00 C ATOM 703 OG SER A 44 -15.438 12.190 -8.751 1.00 0.00 O ATOM 0 H SER A 44 -13.002 14.067 -8.840 1.00 0.00 H new ATOM 0 HA SER A 44 -12.606 11.606 -7.263 1.00 0.00 H new ATOM 0 HB2 SER A 44 -14.821 11.767 -6.822 1.00 0.00 H new ATOM 0 HB3 SER A 44 -14.594 13.430 -7.327 1.00 0.00 H new ATOM 0 HG SER A 44 -15.182 12.765 -9.502 1.00 0.00 H new ATOM 709 N GLU A 45 -13.051 11.737 -10.478 1.00 0.00 N ATOM 710 CA GLU A 45 -13.042 10.947 -11.722 1.00 0.00 C ATOM 711 C GLU A 45 -11.628 10.424 -11.941 1.00 0.00 C ATOM 712 O GLU A 45 -11.421 9.281 -12.297 1.00 0.00 O ATOM 713 CB GLU A 45 -13.458 11.833 -12.899 1.00 0.00 C ATOM 714 CG GLU A 45 -14.956 12.128 -12.815 1.00 0.00 C ATOM 715 CD GLU A 45 -15.746 10.854 -13.123 1.00 0.00 C ATOM 716 OE1 GLU A 45 -15.994 10.603 -14.291 1.00 0.00 O ATOM 717 OE2 GLU A 45 -16.090 10.152 -12.187 1.00 0.00 O ATOM 0 H GLU A 45 -12.989 12.747 -10.608 1.00 0.00 H new ATOM 0 HA GLU A 45 -13.743 10.115 -11.648 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -12.892 12.765 -12.884 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -13.227 11.335 -13.841 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -15.210 12.494 -11.820 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -15.223 12.914 -13.522 1.00 0.00 H new ATOM 724 N GLU A 46 -10.647 11.257 -11.717 1.00 0.00 N ATOM 725 CA GLU A 46 -9.241 10.809 -11.902 1.00 0.00 C ATOM 726 C GLU A 46 -8.835 9.913 -10.728 1.00 0.00 C ATOM 727 O GLU A 46 -7.959 9.078 -10.845 1.00 0.00 O ATOM 728 CB GLU A 46 -8.312 12.025 -11.966 1.00 0.00 C ATOM 729 CG GLU A 46 -8.451 12.706 -13.330 1.00 0.00 C ATOM 730 CD GLU A 46 -9.902 13.142 -13.539 1.00 0.00 C ATOM 731 OE1 GLU A 46 -10.707 12.301 -13.903 1.00 0.00 O ATOM 732 OE2 GLU A 46 -10.183 14.312 -13.334 1.00 0.00 O ATOM 0 H GLU A 46 -10.760 12.225 -11.415 1.00 0.00 H new ATOM 0 HA GLU A 46 -9.160 10.249 -12.834 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -8.561 12.727 -11.170 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -7.279 11.715 -11.806 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -7.789 13.570 -13.386 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -8.148 12.021 -14.122 1.00 0.00 H new ATOM 739 N CYS A 47 -9.471 10.073 -9.598 1.00 0.00 N ATOM 740 CA CYS A 47 -9.127 9.225 -8.420 1.00 0.00 C ATOM 741 C CYS A 47 -9.704 7.826 -8.640 1.00 0.00 C ATOM 742 O CYS A 47 -9.207 6.848 -8.117 1.00 0.00 O ATOM 743 CB CYS A 47 -9.736 9.843 -7.155 1.00 0.00 C ATOM 744 SG CYS A 47 -9.915 8.603 -5.844 1.00 0.00 S ATOM 0 H CYS A 47 -10.214 10.754 -9.440 1.00 0.00 H new ATOM 0 HA CYS A 47 -8.045 9.164 -8.303 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -9.104 10.659 -6.804 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -10.710 10.273 -7.389 1.00 0.00 H new ATOM 749 N GLN A 48 -10.751 7.723 -9.420 1.00 0.00 N ATOM 750 CA GLN A 48 -11.362 6.400 -9.687 1.00 0.00 C ATOM 751 C GLN A 48 -10.672 5.811 -10.907 1.00 0.00 C ATOM 752 O GLN A 48 -10.790 4.640 -11.212 1.00 0.00 O ATOM 753 CB GLN A 48 -12.860 6.577 -9.956 1.00 0.00 C ATOM 754 CG GLN A 48 -13.610 6.702 -8.623 1.00 0.00 C ATOM 755 CD GLN A 48 -13.750 5.320 -7.980 1.00 0.00 C ATOM 756 OE1 GLN A 48 -14.089 4.360 -8.644 1.00 0.00 O ATOM 757 NE2 GLN A 48 -13.502 5.179 -6.707 1.00 0.00 N ATOM 0 H GLN A 48 -11.207 8.509 -9.883 1.00 0.00 H new ATOM 0 HA GLN A 48 -11.243 5.734 -8.832 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -13.028 7.466 -10.564 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -13.241 5.727 -10.521 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -13.072 7.373 -7.953 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -14.595 7.139 -8.788 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -13.218 5.985 -6.150 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -13.593 4.263 -6.268 1.00 0.00 H new ATOM 766 N GLU A 49 -9.929 6.617 -11.607 1.00 0.00 N ATOM 767 CA GLU A 49 -9.214 6.096 -12.790 1.00 0.00 C ATOM 768 C GLU A 49 -8.023 5.277 -12.293 1.00 0.00 C ATOM 769 O GLU A 49 -7.707 4.225 -12.819 1.00 0.00 O ATOM 770 CB GLU A 49 -8.721 7.257 -13.666 1.00 0.00 C ATOM 771 CG GLU A 49 -9.856 7.742 -14.575 1.00 0.00 C ATOM 772 CD GLU A 49 -9.506 9.118 -15.145 1.00 0.00 C ATOM 773 OE1 GLU A 49 -8.350 9.323 -15.478 1.00 0.00 O ATOM 774 OE2 GLU A 49 -10.399 9.943 -15.240 1.00 0.00 O ATOM 0 H GLU A 49 -9.789 7.608 -11.409 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.880 5.477 -13.391 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.372 8.076 -13.037 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -7.873 6.934 -14.269 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -10.015 7.031 -15.386 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -10.788 7.797 -14.012 1.00 0.00 H new ATOM 781 N VAL A 50 -7.359 5.751 -11.271 1.00 0.00 N ATOM 782 CA VAL A 50 -6.191 4.997 -10.743 1.00 0.00 C ATOM 783 C VAL A 50 -6.663 3.825 -9.889 1.00 0.00 C ATOM 784 O VAL A 50 -6.151 2.741 -10.013 1.00 0.00 O ATOM 785 CB VAL A 50 -5.302 5.898 -9.897 1.00 0.00 C ATOM 786 CG1 VAL A 50 -4.001 5.146 -9.600 1.00 0.00 C ATOM 787 CG2 VAL A 50 -4.997 7.188 -10.661 1.00 0.00 C ATOM 0 H VAL A 50 -7.575 6.621 -10.784 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.619 4.627 -11.594 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.805 6.157 -8.965 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -3.348 5.774 -8.994 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.227 4.228 -9.058 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.501 4.900 -10.537 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.361 7.830 -10.052 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -4.484 6.947 -11.592 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -5.929 7.708 -10.884 1.00 0.00 H new ATOM 797 N VAL A 51 -7.631 4.014 -9.020 1.00 0.00 N ATOM 798 CA VAL A 51 -8.103 2.862 -8.181 1.00 0.00 C ATOM 799 C VAL A 51 -8.331 1.671 -9.113 1.00 0.00 C ATOM 800 O VAL A 51 -7.980 0.549 -8.805 1.00 0.00 O ATOM 801 CB VAL A 51 -9.401 3.247 -7.436 1.00 0.00 C ATOM 802 CG1 VAL A 51 -10.622 3.072 -8.343 1.00 0.00 C ATOM 803 CG2 VAL A 51 -9.576 2.361 -6.202 1.00 0.00 C ATOM 0 H VAL A 51 -8.108 4.901 -8.857 1.00 0.00 H new ATOM 0 HA VAL A 51 -7.361 2.601 -7.426 1.00 0.00 H new ATOM 0 HB VAL A 51 -9.321 4.293 -7.139 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -11.524 3.349 -7.797 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -10.518 3.711 -9.220 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -10.694 2.031 -8.659 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -10.493 2.638 -5.682 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -9.635 1.317 -6.509 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -8.725 2.495 -5.534 1.00 0.00 H new ATOM 813 N ASP A 52 -8.870 1.922 -10.276 1.00 0.00 N ATOM 814 CA ASP A 52 -9.058 0.813 -11.242 1.00 0.00 C ATOM 815 C ASP A 52 -7.668 0.270 -11.572 1.00 0.00 C ATOM 816 O ASP A 52 -7.462 -0.921 -11.683 1.00 0.00 O ATOM 817 CB ASP A 52 -9.728 1.338 -12.515 1.00 0.00 C ATOM 818 CG ASP A 52 -9.937 0.183 -13.495 1.00 0.00 C ATOM 819 OD1 ASP A 52 -9.035 -0.077 -14.276 1.00 0.00 O ATOM 820 OD2 ASP A 52 -10.995 -0.423 -13.450 1.00 0.00 O ATOM 0 H ASP A 52 -9.184 2.839 -10.593 1.00 0.00 H new ATOM 0 HA ASP A 52 -9.693 0.033 -10.822 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -10.685 1.800 -12.271 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -9.109 2.110 -12.973 1.00 0.00 H new ATOM 825 N THR A 53 -6.702 1.150 -11.706 1.00 0.00 N ATOM 826 CA THR A 53 -5.312 0.701 -12.001 1.00 0.00 C ATOM 827 C THR A 53 -4.625 0.253 -10.703 1.00 0.00 C ATOM 828 O THR A 53 -3.677 -0.508 -10.723 1.00 0.00 O ATOM 829 CB THR A 53 -4.534 1.822 -12.699 1.00 0.00 C ATOM 830 OG1 THR A 53 -5.175 2.130 -13.930 1.00 0.00 O ATOM 831 CG2 THR A 53 -3.099 1.367 -12.982 1.00 0.00 C ATOM 0 H THR A 53 -6.821 2.160 -11.623 1.00 0.00 H new ATOM 0 HA THR A 53 -5.338 -0.153 -12.678 1.00 0.00 H new ATOM 0 HB THR A 53 -4.511 2.701 -12.055 1.00 0.00 H new ATOM 0 HG1 THR A 53 -4.685 2.848 -14.383 1.00 0.00 H new ATOM 0 HG21 THR A 53 -2.554 2.170 -13.478 1.00 0.00 H new ATOM 0 HG22 THR A 53 -2.604 1.119 -12.043 1.00 0.00 H new ATOM 0 HG23 THR A 53 -3.116 0.488 -13.627 1.00 0.00 H new ATOM 839 N TYR A 54 -5.108 0.710 -9.572 1.00 0.00 N ATOM 840 CA TYR A 54 -4.509 0.317 -8.256 1.00 0.00 C ATOM 841 C TYR A 54 -5.628 -0.129 -7.314 1.00 0.00 C ATOM 842 O TYR A 54 -5.999 0.591 -6.407 1.00 0.00 O ATOM 843 CB TYR A 54 -3.805 1.512 -7.617 1.00 0.00 C ATOM 844 CG TYR A 54 -2.551 1.846 -8.381 1.00 0.00 C ATOM 845 CD1 TYR A 54 -2.657 2.365 -9.663 1.00 0.00 C ATOM 846 CD2 TYR A 54 -1.293 1.667 -7.799 1.00 0.00 C ATOM 847 CE1 TYR A 54 -1.515 2.716 -10.382 1.00 0.00 C ATOM 848 CE2 TYR A 54 -0.139 2.007 -8.515 1.00 0.00 C ATOM 849 CZ TYR A 54 -0.250 2.536 -9.809 1.00 0.00 C ATOM 850 OH TYR A 54 0.885 2.882 -10.515 1.00 0.00 O ATOM 0 H TYR A 54 -5.902 1.347 -9.504 1.00 0.00 H new ATOM 0 HA TYR A 54 -3.793 -0.488 -8.423 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -4.473 2.373 -7.605 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -3.558 1.286 -6.580 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -3.632 2.498 -10.108 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -1.211 1.267 -6.799 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -1.606 3.125 -11.377 1.00 0.00 H new ATOM 0 HE2 TYR A 54 0.835 1.862 -8.072 1.00 0.00 H new ATOM 0 HH TYR A 54 1.678 2.694 -9.971 1.00 0.00 H new ATOM 860 N GLY A 55 -6.175 -1.297 -7.516 1.00 0.00 N ATOM 861 CA GLY A 55 -7.278 -1.778 -6.623 1.00 0.00 C ATOM 862 C GLY A 55 -7.111 -3.270 -6.334 1.00 0.00 C ATOM 863 O GLY A 55 -6.976 -3.676 -5.204 1.00 0.00 O ATOM 0 H GLY A 55 -5.908 -1.942 -8.260 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -7.271 -1.216 -5.689 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -8.243 -1.598 -7.096 1.00 0.00 H new ATOM 867 N SER A 56 -7.134 -4.097 -7.340 1.00 0.00 N ATOM 868 CA SER A 56 -6.981 -5.563 -7.096 1.00 0.00 C ATOM 869 C SER A 56 -5.492 -5.926 -7.061 1.00 0.00 C ATOM 870 O SER A 56 -5.112 -6.981 -6.593 1.00 0.00 O ATOM 871 CB SER A 56 -7.680 -6.341 -8.210 1.00 0.00 C ATOM 872 OG SER A 56 -8.893 -5.683 -8.551 1.00 0.00 O ATOM 0 H SER A 56 -7.251 -3.827 -8.317 1.00 0.00 H new ATOM 0 HA SER A 56 -7.434 -5.822 -6.139 1.00 0.00 H new ATOM 0 HB2 SER A 56 -7.032 -6.410 -9.084 1.00 0.00 H new ATOM 0 HB3 SER A 56 -7.885 -7.361 -7.884 1.00 0.00 H new ATOM 0 HG SER A 56 -9.344 -6.178 -9.267 1.00 0.00 H new ATOM 878 N SER A 57 -4.645 -5.052 -7.538 1.00 0.00 N ATOM 879 CA SER A 57 -3.179 -5.335 -7.522 1.00 0.00 C ATOM 880 C SER A 57 -2.592 -4.740 -6.251 1.00 0.00 C ATOM 881 O SER A 57 -2.255 -5.455 -5.337 1.00 0.00 O ATOM 882 CB SER A 57 -2.504 -4.697 -8.738 1.00 0.00 C ATOM 883 OG SER A 57 -2.903 -5.389 -9.915 1.00 0.00 O ATOM 0 H SER A 57 -4.906 -4.151 -7.939 1.00 0.00 H new ATOM 0 HA SER A 57 -3.012 -6.412 -7.554 1.00 0.00 H new ATOM 0 HB2 SER A 57 -2.779 -3.645 -8.810 1.00 0.00 H new ATOM 0 HB3 SER A 57 -1.420 -4.737 -8.629 1.00 0.00 H new ATOM 0 HG SER A 57 -2.473 -4.981 -10.696 1.00 0.00 H new ATOM 889 N ILE A 58 -2.492 -3.429 -6.192 1.00 0.00 N ATOM 890 CA ILE A 58 -1.944 -2.727 -4.980 1.00 0.00 C ATOM 891 C ILE A 58 -2.185 -3.565 -3.729 1.00 0.00 C ATOM 892 O ILE A 58 -1.313 -3.739 -2.900 1.00 0.00 O ATOM 893 CB ILE A 58 -2.664 -1.383 -4.846 1.00 0.00 C ATOM 894 CG1 ILE A 58 -2.095 -0.579 -3.661 1.00 0.00 C ATOM 895 CG2 ILE A 58 -4.165 -1.604 -4.636 1.00 0.00 C ATOM 896 CD1 ILE A 58 -3.023 0.609 -3.359 1.00 0.00 C ATOM 0 H ILE A 58 -2.773 -2.804 -6.948 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.870 -2.577 -5.090 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.506 -0.820 -5.766 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -2.006 -1.218 -2.783 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.093 -0.221 -3.897 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -4.665 -0.640 -4.542 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.576 -2.145 -5.489 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -4.324 -2.185 -3.727 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -2.623 1.180 -2.521 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -3.089 1.252 -4.237 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.016 0.239 -3.105 1.00 0.00 H new ATOM 908 N LEU A 59 -3.363 -4.091 -3.597 1.00 0.00 N ATOM 909 CA LEU A 59 -3.658 -4.934 -2.401 1.00 0.00 C ATOM 910 C LEU A 59 -3.072 -6.340 -2.606 1.00 0.00 C ATOM 911 O LEU A 59 -2.396 -6.864 -1.751 1.00 0.00 O ATOM 912 CB LEU A 59 -5.179 -5.087 -2.153 1.00 0.00 C ATOM 913 CG LEU A 59 -5.932 -3.795 -2.476 1.00 0.00 C ATOM 914 CD1 LEU A 59 -7.433 -4.085 -2.585 1.00 0.00 C ATOM 915 CD2 LEU A 59 -5.680 -2.746 -1.382 1.00 0.00 C ATOM 0 H LEU A 59 -4.133 -3.979 -4.256 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.210 -4.436 -1.541 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.569 -5.900 -2.766 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.353 -5.361 -1.112 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.571 -3.403 -3.427 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -7.966 -3.162 -2.815 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -7.606 -4.812 -3.378 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -7.796 -4.487 -1.639 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.221 -1.831 -1.623 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -6.027 -3.130 -0.423 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.613 -2.531 -1.323 1.00 0.00 H new ATOM 927 N SER A 60 -3.365 -6.963 -3.724 1.00 0.00 N ATOM 928 CA SER A 60 -2.870 -8.357 -3.974 1.00 0.00 C ATOM 929 C SER A 60 -1.404 -8.372 -4.422 1.00 0.00 C ATOM 930 O SER A 60 -0.858 -9.413 -4.728 1.00 0.00 O ATOM 931 CB SER A 60 -3.730 -9.000 -5.062 1.00 0.00 C ATOM 932 OG SER A 60 -3.504 -10.403 -5.071 1.00 0.00 O ATOM 0 H SER A 60 -3.927 -6.565 -4.476 1.00 0.00 H new ATOM 0 HA SER A 60 -2.941 -8.914 -3.040 1.00 0.00 H new ATOM 0 HB2 SER A 60 -4.784 -8.791 -4.879 1.00 0.00 H new ATOM 0 HB3 SER A 60 -3.484 -8.574 -6.035 1.00 0.00 H new ATOM 0 HG SER A 60 -2.545 -10.580 -4.978 1.00 0.00 H new ATOM 938 N ILE A 61 -0.774 -7.235 -4.499 1.00 0.00 N ATOM 939 CA ILE A 61 0.647 -7.177 -4.968 1.00 0.00 C ATOM 940 C ILE A 61 1.602 -7.123 -3.768 1.00 0.00 C ATOM 941 O ILE A 61 2.473 -7.956 -3.630 1.00 0.00 O ATOM 942 CB ILE A 61 0.768 -5.939 -5.893 1.00 0.00 C ATOM 943 CG1 ILE A 61 1.811 -6.165 -7.000 1.00 0.00 C ATOM 944 CG2 ILE A 61 1.096 -4.662 -5.117 1.00 0.00 C ATOM 945 CD1 ILE A 61 3.231 -6.111 -6.444 1.00 0.00 C ATOM 0 H ILE A 61 -1.182 -6.332 -4.256 1.00 0.00 H new ATOM 0 HA ILE A 61 0.926 -8.070 -5.528 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.211 -5.806 -6.354 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.640 -7.132 -7.472 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.692 -5.407 -7.774 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.170 -3.824 -5.810 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.307 -4.464 -4.392 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.045 -4.787 -4.596 1.00 0.00 H new ATOM 0 HD11 ILE A 61 3.944 -6.274 -7.252 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.409 -5.134 -5.995 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.355 -6.886 -5.688 1.00 0.00 H new ATOM 957 N LEU A 62 1.449 -6.167 -2.906 1.00 0.00 N ATOM 958 CA LEU A 62 2.356 -6.065 -1.723 1.00 0.00 C ATOM 959 C LEU A 62 2.277 -7.335 -0.873 1.00 0.00 C ATOM 960 O LEU A 62 2.880 -7.418 0.179 1.00 0.00 O ATOM 961 CB LEU A 62 1.973 -4.845 -0.889 1.00 0.00 C ATOM 962 CG LEU A 62 2.166 -3.580 -1.736 1.00 0.00 C ATOM 963 CD1 LEU A 62 1.644 -2.363 -0.966 1.00 0.00 C ATOM 964 CD2 LEU A 62 3.649 -3.385 -2.097 1.00 0.00 C ATOM 0 H LEU A 62 0.732 -5.444 -2.964 1.00 0.00 H new ATOM 0 HA LEU A 62 3.382 -5.953 -2.073 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.937 -4.924 -0.561 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.589 -4.794 0.009 1.00 0.00 H new ATOM 0 HG LEU A 62 1.604 -3.690 -2.663 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.781 -1.465 -1.568 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.584 -2.496 -0.750 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.195 -2.260 -0.031 1.00 0.00 H new ATOM 0 HD21 LEU A 62 3.762 -2.482 -2.697 1.00 0.00 H new ATOM 0 HD22 LEU A 62 4.236 -3.289 -1.184 1.00 0.00 H new ATOM 0 HD23 LEU A 62 4.001 -4.245 -2.666 1.00 0.00 H new ATOM 976 N LEU A 63 1.533 -8.325 -1.306 1.00 0.00 N ATOM 977 CA LEU A 63 1.414 -9.580 -0.502 1.00 0.00 C ATOM 978 C LEU A 63 2.385 -10.657 -1.009 1.00 0.00 C ATOM 979 O LEU A 63 3.067 -11.290 -0.227 1.00 0.00 O ATOM 980 CB LEU A 63 -0.022 -10.136 -0.602 1.00 0.00 C ATOM 981 CG LEU A 63 -1.047 -9.016 -0.841 1.00 0.00 C ATOM 982 CD1 LEU A 63 -2.452 -9.586 -0.599 1.00 0.00 C ATOM 983 CD2 LEU A 63 -0.801 -7.808 0.098 1.00 0.00 C ATOM 0 H LEU A 63 1.005 -8.317 -2.179 1.00 0.00 H new ATOM 0 HA LEU A 63 1.657 -9.334 0.532 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -0.077 -10.860 -1.415 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -0.271 -10.668 0.316 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.947 -8.659 -1.866 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.195 -8.805 -0.764 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.634 -10.411 -1.288 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.527 -9.947 0.427 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.545 -7.036 -0.100 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -0.881 -8.132 1.136 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.196 -7.405 -0.081 1.00 0.00 H new ATOM 995 N GLU A 64 2.413 -10.913 -2.300 1.00 0.00 N ATOM 996 CA GLU A 64 3.301 -12.005 -2.834 1.00 0.00 C ATOM 997 C GLU A 64 4.160 -11.522 -3.991 1.00 0.00 C ATOM 998 O GLU A 64 5.370 -11.620 -3.948 1.00 0.00 O ATOM 999 CB GLU A 64 2.423 -13.144 -3.335 1.00 0.00 C ATOM 1000 CG GLU A 64 1.636 -13.739 -2.165 1.00 0.00 C ATOM 1001 CD GLU A 64 2.591 -14.493 -1.238 1.00 0.00 C ATOM 1002 OE1 GLU A 64 3.396 -15.257 -1.743 1.00 0.00 O ATOM 1003 OE2 GLU A 64 2.500 -14.292 -0.037 1.00 0.00 O ATOM 0 H GLU A 64 1.864 -10.418 -3.003 1.00 0.00 H new ATOM 0 HA GLU A 64 3.960 -12.329 -2.028 1.00 0.00 H new ATOM 0 HB2 GLU A 64 1.737 -12.779 -4.099 1.00 0.00 H new ATOM 0 HB3 GLU A 64 3.039 -13.913 -3.801 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.128 -12.947 -1.615 1.00 0.00 H new ATOM 0 HG3 GLU A 64 0.865 -14.414 -2.537 1.00 0.00 H new ATOM 1010 N GLU A 65 3.570 -11.000 -5.032 1.00 0.00 N ATOM 1011 CA GLU A 65 4.402 -10.522 -6.173 1.00 0.00 C ATOM 1012 C GLU A 65 5.479 -9.599 -5.621 1.00 0.00 C ATOM 1013 O GLU A 65 6.412 -9.212 -6.296 1.00 0.00 O ATOM 1014 CB GLU A 65 3.521 -9.770 -7.175 1.00 0.00 C ATOM 1015 CG GLU A 65 2.317 -10.638 -7.541 1.00 0.00 C ATOM 1016 CD GLU A 65 1.468 -9.921 -8.592 1.00 0.00 C ATOM 1017 OE1 GLU A 65 0.637 -9.116 -8.204 1.00 0.00 O ATOM 1018 OE2 GLU A 65 1.662 -10.191 -9.765 1.00 0.00 O ATOM 0 H GLU A 65 2.563 -10.885 -5.142 1.00 0.00 H new ATOM 0 HA GLU A 65 4.864 -11.365 -6.687 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.186 -8.826 -6.745 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.094 -9.527 -8.070 1.00 0.00 H new ATOM 0 HG2 GLU A 65 2.654 -11.601 -7.926 1.00 0.00 H new ATOM 0 HG3 GLU A 65 1.719 -10.841 -6.653 1.00 0.00 H new ATOM 1025 N VAL A 66 5.327 -9.250 -4.382 1.00 0.00 N ATOM 1026 CA VAL A 66 6.279 -8.352 -3.699 1.00 0.00 C ATOM 1027 C VAL A 66 6.442 -8.812 -2.242 1.00 0.00 C ATOM 1028 O VAL A 66 5.501 -8.806 -1.474 1.00 0.00 O ATOM 1029 CB VAL A 66 5.658 -6.957 -3.768 1.00 0.00 C ATOM 1030 CG1 VAL A 66 6.093 -6.077 -2.604 1.00 0.00 C ATOM 1031 CG2 VAL A 66 6.028 -6.309 -5.089 1.00 0.00 C ATOM 0 H VAL A 66 4.553 -9.563 -3.796 1.00 0.00 H new ATOM 0 HA VAL A 66 7.267 -8.357 -4.159 1.00 0.00 H new ATOM 0 HB VAL A 66 4.576 -7.064 -3.697 1.00 0.00 H new ATOM 0 HG11 VAL A 66 5.627 -5.096 -2.696 1.00 0.00 H new ATOM 0 HG12 VAL A 66 5.787 -6.538 -1.665 1.00 0.00 H new ATOM 0 HG13 VAL A 66 7.177 -5.966 -2.617 1.00 0.00 H new ATOM 0 HG21 VAL A 66 5.587 -5.314 -5.142 1.00 0.00 H new ATOM 0 HG22 VAL A 66 7.113 -6.230 -5.164 1.00 0.00 H new ATOM 0 HG23 VAL A 66 5.651 -6.917 -5.911 1.00 0.00 H new ATOM 1041 N SER A 67 7.628 -9.196 -1.851 1.00 0.00 N ATOM 1042 CA SER A 67 7.831 -9.632 -0.440 1.00 0.00 C ATOM 1043 C SER A 67 7.801 -8.377 0.454 1.00 0.00 C ATOM 1044 O SER A 67 8.138 -7.311 -0.012 1.00 0.00 O ATOM 1045 CB SER A 67 9.190 -10.332 -0.319 1.00 0.00 C ATOM 1046 OG SER A 67 9.042 -11.702 -0.670 1.00 0.00 O ATOM 0 H SER A 67 8.458 -9.226 -2.443 1.00 0.00 H new ATOM 0 HA SER A 67 7.050 -10.327 -0.133 1.00 0.00 H new ATOM 0 HB2 SER A 67 9.919 -9.853 -0.973 1.00 0.00 H new ATOM 0 HB3 SER A 67 9.569 -10.244 0.699 1.00 0.00 H new ATOM 0 HG SER A 67 9.908 -12.154 -0.596 1.00 0.00 H new ATOM 1052 N PRO A 68 7.400 -8.518 1.705 1.00 0.00 N ATOM 1053 CA PRO A 68 7.333 -7.363 2.625 1.00 0.00 C ATOM 1054 C PRO A 68 8.682 -6.622 2.673 1.00 0.00 C ATOM 1055 O PRO A 68 8.731 -5.404 2.700 1.00 0.00 O ATOM 1056 CB PRO A 68 6.956 -7.973 3.994 1.00 0.00 C ATOM 1057 CG PRO A 68 6.844 -9.513 3.811 1.00 0.00 C ATOM 1058 CD PRO A 68 6.997 -9.809 2.307 1.00 0.00 C ATOM 0 HA PRO A 68 6.605 -6.616 2.308 1.00 0.00 H new ATOM 0 HB2 PRO A 68 7.711 -7.731 4.742 1.00 0.00 H new ATOM 0 HB3 PRO A 68 6.012 -7.560 4.349 1.00 0.00 H new ATOM 0 HG2 PRO A 68 7.617 -10.025 4.384 1.00 0.00 H new ATOM 0 HG3 PRO A 68 5.883 -9.875 4.178 1.00 0.00 H new ATOM 0 HD2 PRO A 68 7.748 -10.579 2.130 1.00 0.00 H new ATOM 0 HD3 PRO A 68 6.062 -10.171 1.878 1.00 0.00 H new ATOM 1066 N GLU A 69 9.772 -7.338 2.683 1.00 0.00 N ATOM 1067 CA GLU A 69 11.101 -6.661 2.732 1.00 0.00 C ATOM 1068 C GLU A 69 11.288 -5.802 1.478 1.00 0.00 C ATOM 1069 O GLU A 69 11.693 -4.657 1.553 1.00 0.00 O ATOM 1070 CB GLU A 69 12.210 -7.718 2.815 1.00 0.00 C ATOM 1071 CG GLU A 69 13.588 -7.036 2.842 1.00 0.00 C ATOM 1072 CD GLU A 69 14.018 -6.668 1.419 1.00 0.00 C ATOM 1073 OE1 GLU A 69 14.157 -7.572 0.611 1.00 0.00 O ATOM 1074 OE2 GLU A 69 14.203 -5.490 1.163 1.00 0.00 O ATOM 0 H GLU A 69 9.802 -8.357 2.660 1.00 0.00 H new ATOM 0 HA GLU A 69 11.151 -6.019 3.612 1.00 0.00 H new ATOM 0 HB2 GLU A 69 12.078 -8.325 3.711 1.00 0.00 H new ATOM 0 HB3 GLU A 69 12.146 -8.392 1.961 1.00 0.00 H new ATOM 0 HG2 GLU A 69 13.548 -6.140 3.462 1.00 0.00 H new ATOM 0 HG3 GLU A 69 14.324 -7.702 3.292 1.00 0.00 H new ATOM 1081 N LEU A 70 10.993 -6.338 0.326 1.00 0.00 N ATOM 1082 CA LEU A 70 11.151 -5.546 -0.922 1.00 0.00 C ATOM 1083 C LEU A 70 10.435 -4.204 -0.745 1.00 0.00 C ATOM 1084 O LEU A 70 10.953 -3.158 -1.080 1.00 0.00 O ATOM 1085 CB LEU A 70 10.535 -6.339 -2.087 1.00 0.00 C ATOM 1086 CG LEU A 70 10.353 -5.446 -3.317 1.00 0.00 C ATOM 1087 CD1 LEU A 70 11.691 -4.807 -3.698 1.00 0.00 C ATOM 1088 CD2 LEU A 70 9.853 -6.297 -4.489 1.00 0.00 C ATOM 0 H LEU A 70 10.650 -7.290 0.197 1.00 0.00 H new ATOM 0 HA LEU A 70 12.204 -5.360 -1.136 1.00 0.00 H new ATOM 0 HB2 LEU A 70 11.177 -7.184 -2.337 1.00 0.00 H new ATOM 0 HB3 LEU A 70 9.572 -6.749 -1.784 1.00 0.00 H new ATOM 0 HG LEU A 70 9.630 -4.663 -3.089 1.00 0.00 H new ATOM 0 HD11 LEU A 70 11.555 -4.173 -4.574 1.00 0.00 H new ATOM 0 HD12 LEU A 70 12.056 -4.204 -2.867 1.00 0.00 H new ATOM 0 HD13 LEU A 70 12.416 -5.589 -3.925 1.00 0.00 H new ATOM 0 HD21 LEU A 70 9.722 -5.665 -5.367 1.00 0.00 H new ATOM 0 HD22 LEU A 70 10.582 -7.077 -4.709 1.00 0.00 H new ATOM 0 HD23 LEU A 70 8.899 -6.755 -4.226 1.00 0.00 H new ATOM 1100 N VAL A 71 9.242 -4.225 -0.218 1.00 0.00 N ATOM 1101 CA VAL A 71 8.491 -2.954 -0.020 1.00 0.00 C ATOM 1102 C VAL A 71 9.405 -1.916 0.615 1.00 0.00 C ATOM 1103 O VAL A 71 9.684 -0.892 0.026 1.00 0.00 O ATOM 1104 CB VAL A 71 7.295 -3.211 0.892 1.00 0.00 C ATOM 1105 CG1 VAL A 71 6.350 -2.009 0.865 1.00 0.00 C ATOM 1106 CG2 VAL A 71 6.564 -4.448 0.392 1.00 0.00 C ATOM 0 H VAL A 71 8.754 -5.068 0.084 1.00 0.00 H new ATOM 0 HA VAL A 71 8.141 -2.583 -0.983 1.00 0.00 H new ATOM 0 HB VAL A 71 7.636 -3.364 1.916 1.00 0.00 H new ATOM 0 HG11 VAL A 71 5.499 -2.201 1.519 1.00 0.00 H new ATOM 0 HG12 VAL A 71 6.880 -1.121 1.210 1.00 0.00 H new ATOM 0 HG13 VAL A 71 5.996 -1.847 -0.153 1.00 0.00 H new ATOM 0 HG21 VAL A 71 5.705 -4.647 1.033 1.00 0.00 H new ATOM 0 HG22 VAL A 71 6.223 -4.281 -0.630 1.00 0.00 H new ATOM 0 HG23 VAL A 71 7.239 -5.303 0.414 1.00 0.00 H new ATOM 1116 N CYS A 72 9.885 -2.173 1.807 1.00 0.00 N ATOM 1117 CA CYS A 72 10.797 -1.179 2.467 1.00 0.00 C ATOM 1118 C CYS A 72 11.816 -0.685 1.442 1.00 0.00 C ATOM 1119 O CYS A 72 12.315 0.420 1.527 1.00 0.00 O ATOM 1120 CB CYS A 72 11.525 -1.806 3.658 1.00 0.00 C ATOM 1121 SG CYS A 72 12.567 -0.546 4.436 1.00 0.00 S ATOM 0 H CYS A 72 9.690 -3.015 2.348 1.00 0.00 H new ATOM 0 HA CYS A 72 10.200 -0.345 2.837 1.00 0.00 H new ATOM 0 HB2 CYS A 72 10.805 -2.197 4.377 1.00 0.00 H new ATOM 0 HB3 CYS A 72 12.134 -2.647 3.327 1.00 0.00 H new ATOM 1126 N SER A 73 12.098 -1.485 0.447 1.00 0.00 N ATOM 1127 CA SER A 73 13.048 -1.047 -0.609 1.00 0.00 C ATOM 1128 C SER A 73 12.278 -0.144 -1.586 1.00 0.00 C ATOM 1129 O SER A 73 12.667 0.978 -1.844 1.00 0.00 O ATOM 1130 CB SER A 73 13.630 -2.275 -1.332 1.00 0.00 C ATOM 1131 OG SER A 73 15.049 -2.232 -1.248 1.00 0.00 O ATOM 0 H SER A 73 11.711 -2.420 0.323 1.00 0.00 H new ATOM 0 HA SER A 73 13.882 -0.494 -0.177 1.00 0.00 H new ATOM 0 HB2 SER A 73 13.254 -3.192 -0.879 1.00 0.00 H new ATOM 0 HB3 SER A 73 13.315 -2.282 -2.375 1.00 0.00 H new ATOM 0 HG SER A 73 15.428 -3.012 -1.705 1.00 0.00 H new ATOM 1137 N MET A 74 11.174 -0.617 -2.115 1.00 0.00 N ATOM 1138 CA MET A 74 10.383 0.235 -3.050 1.00 0.00 C ATOM 1139 C MET A 74 10.092 1.571 -2.364 1.00 0.00 C ATOM 1140 O MET A 74 10.174 2.622 -2.970 1.00 0.00 O ATOM 1141 CB MET A 74 9.050 -0.448 -3.396 1.00 0.00 C ATOM 1142 CG MET A 74 9.275 -1.602 -4.381 1.00 0.00 C ATOM 1143 SD MET A 74 7.726 -1.963 -5.254 1.00 0.00 S ATOM 1144 CE MET A 74 6.840 -2.749 -3.883 1.00 0.00 C ATOM 0 H MET A 74 10.792 -1.547 -1.940 1.00 0.00 H new ATOM 0 HA MET A 74 10.952 0.388 -3.967 1.00 0.00 H new ATOM 0 HB2 MET A 74 8.581 -0.825 -2.487 1.00 0.00 H new ATOM 0 HB3 MET A 74 8.364 0.280 -3.830 1.00 0.00 H new ATOM 0 HG2 MET A 74 10.054 -1.338 -5.096 1.00 0.00 H new ATOM 0 HG3 MET A 74 9.619 -2.488 -3.847 1.00 0.00 H new ATOM 0 HE1 MET A 74 5.883 -3.130 -4.239 1.00 0.00 H new ATOM 0 HE2 MET A 74 7.435 -3.574 -3.490 1.00 0.00 H new ATOM 0 HE3 MET A 74 6.668 -2.017 -3.094 1.00 0.00 H new ATOM 1154 N LEU A 75 9.757 1.539 -1.103 1.00 0.00 N ATOM 1155 CA LEU A 75 9.466 2.810 -0.383 1.00 0.00 C ATOM 1156 C LEU A 75 10.722 3.684 -0.390 1.00 0.00 C ATOM 1157 O LEU A 75 10.661 4.877 -0.175 1.00 0.00 O ATOM 1158 CB LEU A 75 9.050 2.512 1.064 1.00 0.00 C ATOM 1159 CG LEU A 75 7.824 1.585 1.089 1.00 0.00 C ATOM 1160 CD1 LEU A 75 7.423 1.309 2.545 1.00 0.00 C ATOM 1161 CD2 LEU A 75 6.650 2.240 0.338 1.00 0.00 C ATOM 0 H LEU A 75 9.673 0.691 -0.542 1.00 0.00 H new ATOM 0 HA LEU A 75 8.649 3.332 -0.882 1.00 0.00 H new ATOM 0 HB2 LEU A 75 9.878 2.045 1.598 1.00 0.00 H new ATOM 0 HB3 LEU A 75 8.821 3.443 1.582 1.00 0.00 H new ATOM 0 HG LEU A 75 8.074 0.645 0.597 1.00 0.00 H new ATOM 0 HD11 LEU A 75 6.554 0.652 2.565 1.00 0.00 H new ATOM 0 HD12 LEU A 75 8.252 0.830 3.066 1.00 0.00 H new ATOM 0 HD13 LEU A 75 7.178 2.249 3.039 1.00 0.00 H new ATOM 0 HD21 LEU A 75 5.787 1.575 0.362 1.00 0.00 H new ATOM 0 HD22 LEU A 75 6.394 3.185 0.817 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.938 2.424 -0.697 1.00 0.00 H new ATOM 1173 N HIS A 76 11.860 3.101 -0.658 1.00 0.00 N ATOM 1174 CA HIS A 76 13.116 3.899 -0.705 1.00 0.00 C ATOM 1175 C HIS A 76 13.500 4.350 0.712 1.00 0.00 C ATOM 1176 O HIS A 76 14.067 5.408 0.903 1.00 0.00 O ATOM 1177 CB HIS A 76 12.889 5.120 -1.628 1.00 0.00 C ATOM 1178 CG HIS A 76 14.093 5.359 -2.500 1.00 0.00 C ATOM 1179 ND1 HIS A 76 15.181 6.107 -2.080 1.00 0.00 N ATOM 1180 CD2 HIS A 76 14.389 4.949 -3.775 1.00 0.00 C ATOM 1181 CE1 HIS A 76 16.074 6.124 -3.087 1.00 0.00 C ATOM 1182 NE2 HIS A 76 15.639 5.434 -4.145 1.00 0.00 N ATOM 0 H HIS A 76 11.972 2.105 -0.846 1.00 0.00 H new ATOM 0 HA HIS A 76 13.933 3.295 -1.100 1.00 0.00 H new ATOM 0 HB2 HIS A 76 12.010 4.953 -2.251 1.00 0.00 H new ATOM 0 HB3 HIS A 76 12.689 6.006 -1.025 1.00 0.00 H new ATOM 0 HD2 HIS A 76 13.749 4.342 -4.397 1.00 0.00 H new ATOM 0 HE1 HIS A 76 17.026 6.633 -3.045 1.00 0.00 H new ATOM 0 HE2 HIS A 76 16.120 5.293 -5.033 1.00 0.00 H new ATOM 1190 N LEU A 77 13.200 3.552 1.704 1.00 0.00 N ATOM 1191 CA LEU A 77 13.551 3.926 3.108 1.00 0.00 C ATOM 1192 C LEU A 77 14.932 3.344 3.445 1.00 0.00 C ATOM 1193 O LEU A 77 15.572 3.754 4.394 1.00 0.00 O ATOM 1194 CB LEU A 77 12.478 3.357 4.089 1.00 0.00 C ATOM 1195 CG LEU A 77 11.732 4.493 4.801 1.00 0.00 C ATOM 1196 CD1 LEU A 77 10.727 5.133 3.841 1.00 0.00 C ATOM 1197 CD2 LEU A 77 10.990 3.939 6.021 1.00 0.00 C ATOM 0 H LEU A 77 12.726 2.655 1.602 1.00 0.00 H new ATOM 0 HA LEU A 77 13.576 5.011 3.208 1.00 0.00 H new ATOM 0 HB2 LEU A 77 11.768 2.738 3.540 1.00 0.00 H new ATOM 0 HB3 LEU A 77 12.958 2.713 4.826 1.00 0.00 H new ATOM 0 HG LEU A 77 12.452 5.245 5.125 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.199 5.939 4.351 1.00 0.00 H new ATOM 0 HD12 LEU A 77 11.255 5.535 2.976 1.00 0.00 H new ATOM 0 HD13 LEU A 77 10.010 4.382 3.511 1.00 0.00 H new ATOM 0 HD21 LEU A 77 10.461 4.749 6.524 1.00 0.00 H new ATOM 0 HD22 LEU A 77 10.274 3.183 5.699 1.00 0.00 H new ATOM 0 HD23 LEU A 77 11.706 3.490 6.710 1.00 0.00 H new ATOM 1209 N CYS A 78 15.388 2.385 2.686 1.00 0.00 N ATOM 1210 CA CYS A 78 16.716 1.770 2.976 1.00 0.00 C ATOM 1211 C CYS A 78 17.269 1.093 1.703 1.00 0.00 C ATOM 1212 O CYS A 78 17.240 -0.116 1.595 1.00 0.00 O ATOM 1213 CB CYS A 78 16.537 0.708 4.063 1.00 0.00 C ATOM 1214 SG CYS A 78 16.391 1.525 5.672 1.00 0.00 S ATOM 0 H CYS A 78 14.899 2.000 1.878 1.00 0.00 H new ATOM 0 HA CYS A 78 17.411 2.542 3.306 1.00 0.00 H new ATOM 0 HB2 CYS A 78 15.647 0.111 3.862 1.00 0.00 H new ATOM 0 HB3 CYS A 78 17.386 0.024 4.064 1.00 0.00 H new ATOM 1219 N SER A 79 17.761 1.842 0.734 1.00 0.00 N ATOM 1220 CA SER A 79 18.295 1.199 -0.503 1.00 0.00 C ATOM 1221 C SER A 79 19.329 0.129 -0.130 1.00 0.00 C ATOM 1222 O SER A 79 19.474 -0.242 1.018 1.00 0.00 O ATOM 1223 CB SER A 79 18.958 2.262 -1.378 1.00 0.00 C ATOM 1224 OG SER A 79 19.683 1.625 -2.423 1.00 0.00 O ATOM 0 H SER A 79 17.812 2.861 0.753 1.00 0.00 H new ATOM 0 HA SER A 79 17.476 0.731 -1.048 1.00 0.00 H new ATOM 0 HB2 SER A 79 18.203 2.927 -1.797 1.00 0.00 H new ATOM 0 HB3 SER A 79 19.628 2.878 -0.778 1.00 0.00 H new ATOM 0 HG SER A 79 20.108 2.304 -2.987 1.00 0.00 H new ATOM 1230 N GLY A 80 20.058 -0.366 -1.092 1.00 0.00 N ATOM 1231 CA GLY A 80 21.081 -1.409 -0.786 1.00 0.00 C ATOM 1232 C GLY A 80 22.191 -0.786 0.053 1.00 0.00 C ATOM 1233 O GLY A 80 22.692 -1.376 0.990 1.00 0.00 O ATOM 0 H GLY A 80 19.991 -0.096 -2.073 1.00 0.00 H new ATOM 0 HA2 GLY A 80 20.623 -2.239 -0.248 1.00 0.00 H new ATOM 0 HA3 GLY A 80 21.491 -1.816 -1.710 1.00 0.00 H new ATOM 1237 N LEU A 81 22.563 0.418 -0.279 1.00 0.00 N ATOM 1238 CA LEU A 81 23.622 1.142 0.468 1.00 0.00 C ATOM 1239 C LEU A 81 23.049 2.475 0.895 1.00 0.00 C ATOM 1240 O LEU A 81 21.874 2.734 0.726 1.00 0.00 O ATOM 1241 CB LEU A 81 24.830 1.369 -0.453 1.00 0.00 C ATOM 1242 CG LEU A 81 24.360 1.655 -1.882 1.00 0.00 C ATOM 1243 CD1 LEU A 81 23.406 2.861 -1.910 1.00 0.00 C ATOM 1244 CD2 LEU A 81 25.581 1.947 -2.759 1.00 0.00 C ATOM 0 H LEU A 81 22.165 0.942 -1.058 1.00 0.00 H new ATOM 0 HA LEU A 81 23.946 0.569 1.337 1.00 0.00 H new ATOM 0 HB2 LEU A 81 25.426 2.204 -0.084 1.00 0.00 H new ATOM 0 HB3 LEU A 81 25.474 0.490 -0.443 1.00 0.00 H new ATOM 0 HG LEU A 81 23.825 0.784 -2.260 1.00 0.00 H new ATOM 0 HD11 LEU A 81 23.084 3.047 -2.935 1.00 0.00 H new ATOM 0 HD12 LEU A 81 22.535 2.651 -1.289 1.00 0.00 H new ATOM 0 HD13 LEU A 81 23.921 3.742 -1.526 1.00 0.00 H new ATOM 0 HD21 LEU A 81 25.256 2.152 -3.779 1.00 0.00 H new ATOM 0 HD22 LEU A 81 26.112 2.814 -2.366 1.00 0.00 H new ATOM 0 HD23 LEU A 81 26.246 1.083 -2.757 1.00 0.00 H new ATOM 1256 N VAL A 82 23.856 3.347 1.412 1.00 0.00 N ATOM 1257 CA VAL A 82 23.311 4.673 1.794 1.00 0.00 C ATOM 1258 C VAL A 82 23.249 5.550 0.524 1.00 0.00 C ATOM 1259 O VAL A 82 24.237 5.657 -0.174 1.00 0.00 O ATOM 1260 CB VAL A 82 24.199 5.353 2.841 1.00 0.00 C ATOM 1261 CG1 VAL A 82 23.886 4.784 4.226 1.00 0.00 C ATOM 1262 CG2 VAL A 82 25.674 5.115 2.506 1.00 0.00 C ATOM 0 H VAL A 82 24.851 3.206 1.585 1.00 0.00 H new ATOM 0 HA VAL A 82 22.319 4.544 2.227 1.00 0.00 H new ATOM 0 HB VAL A 82 24.001 6.425 2.837 1.00 0.00 H new ATOM 0 HG11 VAL A 82 24.518 5.269 4.970 1.00 0.00 H new ATOM 0 HG12 VAL A 82 22.839 4.966 4.466 1.00 0.00 H new ATOM 0 HG13 VAL A 82 24.078 3.711 4.230 1.00 0.00 H new ATOM 0 HG21 VAL A 82 26.300 5.601 3.254 1.00 0.00 H new ATOM 0 HG22 VAL A 82 25.878 4.044 2.502 1.00 0.00 H new ATOM 0 HG23 VAL A 82 25.895 5.530 1.523 1.00 0.00 H new ATOM 1272 N PRO A 83 22.109 6.153 0.232 1.00 0.00 N ATOM 1273 CA PRO A 83 21.983 6.990 -0.969 1.00 0.00 C ATOM 1274 C PRO A 83 23.131 8.013 -1.029 1.00 0.00 C ATOM 1275 O PRO A 83 23.389 8.716 -0.073 1.00 0.00 O ATOM 1276 CB PRO A 83 20.621 7.691 -0.825 1.00 0.00 C ATOM 1277 CG PRO A 83 19.865 6.965 0.311 1.00 0.00 C ATOM 1278 CD PRO A 83 20.882 6.068 1.043 1.00 0.00 C ATOM 0 HA PRO A 83 22.039 6.409 -1.889 1.00 0.00 H new ATOM 0 HB2 PRO A 83 20.752 8.747 -0.589 1.00 0.00 H new ATOM 0 HB3 PRO A 83 20.059 7.640 -1.758 1.00 0.00 H new ATOM 0 HG2 PRO A 83 19.424 7.685 1.000 1.00 0.00 H new ATOM 0 HG3 PRO A 83 19.047 6.368 -0.093 1.00 0.00 H new ATOM 0 HD2 PRO A 83 21.056 6.416 2.061 1.00 0.00 H new ATOM 0 HD3 PRO A 83 20.525 5.041 1.114 1.00 0.00 H new ATOM 1286 N ARG A 84 23.814 8.115 -2.137 1.00 0.00 N ATOM 1287 CA ARG A 84 24.924 9.108 -2.227 1.00 0.00 C ATOM 1288 C ARG A 84 24.329 10.518 -2.287 1.00 0.00 C ATOM 1289 O ARG A 84 23.141 10.628 -2.542 1.00 0.00 O ATOM 1290 CB ARG A 84 25.757 8.845 -3.491 1.00 0.00 C ATOM 1291 CG ARG A 84 26.747 7.705 -3.234 1.00 0.00 C ATOM 1292 CD ARG A 84 25.979 6.411 -2.974 1.00 0.00 C ATOM 1293 NE ARG A 84 26.923 5.242 -2.980 1.00 0.00 N ATOM 1294 CZ ARG A 84 27.637 4.933 -4.030 1.00 0.00 C ATOM 1295 NH1 ARG A 84 27.442 5.541 -5.168 1.00 0.00 N ATOM 1296 NH2 ARG A 84 28.521 3.975 -3.951 1.00 0.00 N ATOM 1297 OXT ARG A 84 25.072 11.463 -2.076 1.00 0.00 O ATOM 0 H ARG A 84 23.654 7.559 -2.977 1.00 0.00 H new ATOM 0 HA ARG A 84 25.568 9.016 -1.352 1.00 0.00 H new ATOM 0 HB2 ARG A 84 25.101 8.588 -4.323 1.00 0.00 H new ATOM 0 HB3 ARG A 84 26.295 9.749 -3.777 1.00 0.00 H new ATOM 0 HG2 ARG A 84 27.407 7.582 -4.093 1.00 0.00 H new ATOM 0 HG3 ARG A 84 27.378 7.944 -2.378 1.00 0.00 H new ATOM 0 HD2 ARG A 84 25.466 6.470 -2.014 1.00 0.00 H new ATOM 0 HD3 ARG A 84 25.213 6.274 -3.737 1.00 0.00 H new ATOM 0 HE ARG A 84 27.009 4.672 -2.139 1.00 0.00 H new ATOM 0 HH11 ARG A 84 26.727 6.265 -5.244 1.00 0.00 H new ATOM 0 HH12 ARG A 84 28.005 5.293 -5.982 1.00 0.00 H new ATOM 0 HH21 ARG A 84 28.651 3.472 -3.073 1.00 0.00 H new ATOM 0 HH22 ARG A 84 29.081 3.729 -4.767 1.00 0.00 H new TER 1311 ARG A 84