USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 559 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 23 MET CE :methyl 155:sc= -1.87 (180deg=-5.12!) USER MOD Set 1.2: A 71 HIS :FLIP no HD1:sc= -1.63 F(o=-5.3!,f=-3.5) USER MOD Single : A 24 SER OG : rot -53:sc= 0.698 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -0.0026 X(o=-0.0026,f=-0.11) USER MOD Single : A 34 CYS SG : rot -28:sc= -3.51! USER MOD Single : A 35 SER OG : rot 94:sc= 0.0914 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=-0.093) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 91:sc= -4.17! USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -0.0128 X(o=-0.013,f=-0.0051) USER MOD Single : A 88 GLN :FLIP amide:sc= -3.61! F(o=-4.3,f=-3.6!) USER MOD Single : A 91 HIS : no HD1:sc=-0.00602 X(o=-0.006,f=-0.17) USER MOD Single : A 93 MET CE :methyl -102:sc= -0.0514 (180deg=-1.86!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 23 -4.208 -1.201 0.316 1.00 0.00 N ATOM 2 CA MET A 23 -3.891 0.183 0.622 1.00 0.00 C ATOM 3 C MET A 23 -2.769 0.701 -0.280 1.00 0.00 C ATOM 4 O MET A 23 -1.601 0.374 -0.075 1.00 0.00 O ATOM 5 CB MET A 23 -3.462 0.298 2.086 1.00 0.00 C ATOM 6 CG MET A 23 -2.516 -0.841 2.471 1.00 0.00 C ATOM 7 SD MET A 23 -3.313 -1.928 3.641 1.00 0.00 S ATOM 8 CE MET A 23 -3.165 -0.949 5.126 1.00 0.00 C ATOM 0 HA MET A 23 -4.782 0.787 0.447 1.00 0.00 H new ATOM 0 HB2 MET A 23 -2.969 1.256 2.250 1.00 0.00 H new ATOM 0 HB3 MET A 23 -4.342 0.278 2.729 1.00 0.00 H new ATOM 0 HG2 MET A 23 -2.226 -1.400 1.581 1.00 0.00 H new ATOM 0 HG3 MET A 23 -1.602 -0.435 2.904 1.00 0.00 H new ATOM 0 HE1 MET A 23 -3.953 -1.228 5.826 1.00 0.00 H new ATOM 0 HE2 MET A 23 -2.192 -1.128 5.584 1.00 0.00 H new ATOM 0 HE3 MET A 23 -3.259 0.108 4.876 1.00 0.00 H new ATOM 18 N SER A 24 -3.163 1.502 -1.260 1.00 0.00 N ATOM 19 CA SER A 24 -2.205 2.068 -2.194 1.00 0.00 C ATOM 20 C SER A 24 -1.862 3.502 -1.787 1.00 0.00 C ATOM 21 O SER A 24 -2.754 4.305 -1.518 1.00 0.00 O ATOM 22 CB SER A 24 -2.748 2.038 -3.625 1.00 0.00 C ATOM 23 OG SER A 24 -2.191 0.969 -4.385 1.00 0.00 O ATOM 0 H SER A 24 -4.132 1.772 -1.427 1.00 0.00 H new ATOM 0 HA SER A 24 -1.299 1.462 -2.164 1.00 0.00 H new ATOM 0 HB2 SER A 24 -3.833 1.937 -3.599 1.00 0.00 H new ATOM 0 HB3 SER A 24 -2.527 2.986 -4.116 1.00 0.00 H new ATOM 0 HG SER A 24 -1.213 1.014 -4.344 1.00 0.00 H new ATOM 29 N ILE A 25 -0.567 3.780 -1.754 1.00 0.00 N ATOM 30 CA ILE A 25 -0.094 5.103 -1.383 1.00 0.00 C ATOM 31 C ILE A 25 -0.364 6.076 -2.533 1.00 0.00 C ATOM 32 O ILE A 25 -0.246 5.710 -3.701 1.00 0.00 O ATOM 33 CB ILE A 25 1.374 5.048 -0.956 1.00 0.00 C ATOM 34 CG1 ILE A 25 2.293 4.896 -2.169 1.00 0.00 C ATOM 35 CG2 ILE A 25 1.602 3.943 0.078 1.00 0.00 C ATOM 36 CD1 ILE A 25 2.588 6.256 -2.806 1.00 0.00 C ATOM 0 H ILE A 25 0.170 3.111 -1.978 1.00 0.00 H new ATOM 0 HA ILE A 25 -0.640 5.473 -0.515 1.00 0.00 H new ATOM 0 HB ILE A 25 1.627 5.994 -0.478 1.00 0.00 H new ATOM 0 HG12 ILE A 25 3.227 4.422 -1.866 1.00 0.00 H new ATOM 0 HG13 ILE A 25 1.826 4.240 -2.904 1.00 0.00 H new ATOM 0 HG21 ILE A 25 2.653 3.925 0.365 1.00 0.00 H new ATOM 0 HG22 ILE A 25 0.989 4.136 0.958 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.327 2.980 -0.352 1.00 0.00 H new ATOM 0 HD11 ILE A 25 3.243 6.120 -3.666 1.00 0.00 H new ATOM 0 HD12 ILE A 25 1.655 6.716 -3.130 1.00 0.00 H new ATOM 0 HD13 ILE A 25 3.076 6.901 -2.076 1.00 0.00 H new ATOM 48 N GLU A 26 -0.720 7.297 -2.161 1.00 0.00 N ATOM 49 CA GLU A 26 -1.007 8.326 -3.147 1.00 0.00 C ATOM 50 C GLU A 26 -0.054 9.509 -2.972 1.00 0.00 C ATOM 51 O GLU A 26 0.570 9.658 -1.922 1.00 0.00 O ATOM 52 CB GLU A 26 -2.466 8.779 -3.058 1.00 0.00 C ATOM 53 CG GLU A 26 -3.082 8.918 -4.451 1.00 0.00 C ATOM 54 CD GLU A 26 -3.576 10.346 -4.692 1.00 0.00 C ATOM 55 OE1 GLU A 26 -4.585 10.713 -4.052 1.00 0.00 O ATOM 56 OE2 GLU A 26 -2.932 11.039 -5.510 1.00 0.00 O ATOM 0 H GLU A 26 -0.816 7.597 -1.191 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.852 7.904 -4.140 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.039 8.060 -2.473 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.523 9.733 -2.534 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.343 8.652 -5.207 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -3.912 8.219 -4.557 1.00 0.00 H new ATOM 63 N ILE A 27 0.029 10.321 -4.016 1.00 0.00 N ATOM 64 CA ILE A 27 0.896 11.487 -3.990 1.00 0.00 C ATOM 65 C ILE A 27 0.199 12.650 -4.698 1.00 0.00 C ATOM 66 O ILE A 27 -0.588 12.439 -5.619 1.00 0.00 O ATOM 67 CB ILE A 27 2.269 11.146 -4.572 1.00 0.00 C ATOM 68 CG1 ILE A 27 3.026 10.178 -3.661 1.00 0.00 C ATOM 69 CG2 ILE A 27 3.075 12.416 -4.855 1.00 0.00 C ATOM 70 CD1 ILE A 27 3.597 10.904 -2.442 1.00 0.00 C ATOM 0 H ILE A 27 -0.490 10.194 -4.885 1.00 0.00 H new ATOM 0 HA ILE A 27 1.080 11.803 -2.963 1.00 0.00 H new ATOM 0 HB ILE A 27 2.120 10.640 -5.526 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.357 9.382 -3.334 1.00 0.00 H new ATOM 0 HG13 ILE A 27 3.834 9.705 -4.219 1.00 0.00 H new ATOM 0 HG21 ILE A 27 4.047 12.146 -5.268 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.536 13.037 -5.571 1.00 0.00 H new ATOM 0 HG23 ILE A 27 3.217 12.971 -3.928 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.130 10.192 -1.811 1.00 0.00 H new ATOM 0 HD12 ILE A 27 4.285 11.683 -2.772 1.00 0.00 H new ATOM 0 HD13 ILE A 27 2.784 11.355 -1.873 1.00 0.00 H new ATOM 82 N ASP A 28 0.514 13.854 -4.241 1.00 0.00 N ATOM 83 CA ASP A 28 -0.072 15.051 -4.820 1.00 0.00 C ATOM 84 C ASP A 28 1.040 16.050 -5.148 1.00 0.00 C ATOM 85 O ASP A 28 1.396 16.883 -4.316 1.00 0.00 O ATOM 86 CB ASP A 28 -1.035 15.721 -3.839 1.00 0.00 C ATOM 87 CG ASP A 28 -2.251 16.391 -4.482 1.00 0.00 C ATOM 88 OD1 ASP A 28 -2.722 17.392 -3.900 1.00 0.00 O ATOM 89 OD2 ASP A 28 -2.682 15.887 -5.542 1.00 0.00 O ATOM 0 H ASP A 28 1.167 14.026 -3.477 1.00 0.00 H new ATOM 0 HA ASP A 28 -0.616 14.760 -5.719 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -1.385 14.972 -3.128 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -0.486 16.470 -3.268 1.00 0.00 H new ATOM 94 N SER A 29 1.557 15.933 -6.362 1.00 0.00 N ATOM 95 CA SER A 29 2.620 16.816 -6.811 1.00 0.00 C ATOM 96 C SER A 29 2.060 18.213 -7.085 1.00 0.00 C ATOM 97 O SER A 29 2.785 19.203 -7.004 1.00 0.00 O ATOM 98 CB SER A 29 3.304 16.263 -8.063 1.00 0.00 C ATOM 99 OG SER A 29 2.614 16.632 -9.254 1.00 0.00 O ATOM 0 H SER A 29 1.260 15.240 -7.049 1.00 0.00 H new ATOM 0 HA SER A 29 3.367 16.880 -6.020 1.00 0.00 H new ATOM 0 HB2 SER A 29 4.329 16.631 -8.109 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.358 15.176 -7.997 1.00 0.00 H new ATOM 0 HG SER A 29 3.082 16.262 -10.031 1.00 0.00 H new ATOM 105 N GLU A 30 0.774 18.248 -7.404 1.00 0.00 N ATOM 106 CA GLU A 30 0.109 19.508 -7.691 1.00 0.00 C ATOM 107 C GLU A 30 0.245 20.463 -6.503 1.00 0.00 C ATOM 108 O GLU A 30 0.650 21.612 -6.670 1.00 0.00 O ATOM 109 CB GLU A 30 -1.362 19.282 -8.046 1.00 0.00 C ATOM 110 CG GLU A 30 -1.670 19.792 -9.456 1.00 0.00 C ATOM 111 CD GLU A 30 -2.409 21.131 -9.405 1.00 0.00 C ATOM 112 OE1 GLU A 30 -3.417 21.251 -10.134 1.00 0.00 O ATOM 113 OE2 GLU A 30 -1.949 22.004 -8.638 1.00 0.00 O ATOM 0 H GLU A 30 0.175 17.425 -7.470 1.00 0.00 H new ATOM 0 HA GLU A 30 0.593 19.963 -8.555 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.597 18.220 -7.980 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -1.997 19.794 -7.323 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -0.742 19.906 -10.016 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.276 19.058 -9.988 1.00 0.00 H new ATOM 120 N GLN A 31 -0.100 19.951 -5.331 1.00 0.00 N ATOM 121 CA GLN A 31 -0.021 20.744 -4.116 1.00 0.00 C ATOM 122 C GLN A 31 1.264 20.418 -3.352 1.00 0.00 C ATOM 123 O GLN A 31 1.713 21.206 -2.521 1.00 0.00 O ATOM 124 CB GLN A 31 -1.253 20.523 -3.236 1.00 0.00 C ATOM 125 CG GLN A 31 -2.376 21.492 -3.611 1.00 0.00 C ATOM 126 CD GLN A 31 -3.071 22.036 -2.362 1.00 0.00 C ATOM 127 OE1 GLN A 31 -2.454 22.594 -1.469 1.00 0.00 O ATOM 128 NE2 GLN A 31 -4.387 21.843 -2.347 1.00 0.00 N ATOM 0 H GLN A 31 -0.435 18.997 -5.197 1.00 0.00 H new ATOM 0 HA GLN A 31 0.002 21.798 -4.394 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -1.602 19.496 -3.345 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -0.985 20.659 -2.188 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -1.969 22.318 -4.194 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -3.103 20.984 -4.244 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -4.842 21.368 -3.127 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -4.941 22.170 -1.556 1.00 0.00 H new ATOM 137 N GLY A 32 1.820 19.256 -3.660 1.00 0.00 N ATOM 138 CA GLY A 32 3.044 18.816 -3.013 1.00 0.00 C ATOM 139 C GLY A 32 2.740 18.072 -1.712 1.00 0.00 C ATOM 140 O GLY A 32 3.612 17.929 -0.856 1.00 0.00 O ATOM 0 H GLY A 32 1.445 18.605 -4.350 1.00 0.00 H new ATOM 0 HA2 GLY A 32 3.602 18.165 -3.686 1.00 0.00 H new ATOM 0 HA3 GLY A 32 3.679 19.677 -2.804 1.00 0.00 H new ATOM 144 N VAL A 33 1.500 17.619 -1.603 1.00 0.00 N ATOM 145 CA VAL A 33 1.070 16.893 -0.420 1.00 0.00 C ATOM 146 C VAL A 33 1.019 15.397 -0.734 1.00 0.00 C ATOM 147 O VAL A 33 1.017 15.004 -1.900 1.00 0.00 O ATOM 148 CB VAL A 33 -0.269 17.445 0.075 1.00 0.00 C ATOM 149 CG1 VAL A 33 -1.016 16.404 0.911 1.00 0.00 C ATOM 150 CG2 VAL A 33 -0.070 18.741 0.864 1.00 0.00 C ATOM 0 H VAL A 33 0.779 17.741 -2.314 1.00 0.00 H new ATOM 0 HA VAL A 33 1.784 17.030 0.392 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.880 17.675 -0.798 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.964 16.822 1.250 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.206 15.519 0.304 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.411 16.129 1.775 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.037 19.112 1.204 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.568 18.548 1.726 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.401 19.488 0.224 1.00 0.00 H new ATOM 160 N CYS A 34 0.981 14.603 0.325 1.00 0.00 N ATOM 161 CA CYS A 34 0.930 13.158 0.177 1.00 0.00 C ATOM 162 C CYS A 34 -0.250 12.631 0.996 1.00 0.00 C ATOM 163 O CYS A 34 -0.530 13.135 2.082 1.00 0.00 O ATOM 164 CB CYS A 34 2.249 12.501 0.588 1.00 0.00 C ATOM 165 SG CYS A 34 2.930 13.337 2.067 1.00 0.00 S ATOM 0 H CYS A 34 0.984 14.933 1.290 1.00 0.00 H new ATOM 0 HA CYS A 34 0.784 12.903 -0.873 1.00 0.00 H new ATOM 0 HB2 CYS A 34 2.088 11.444 0.799 1.00 0.00 H new ATOM 0 HB3 CYS A 34 2.964 12.557 -0.233 1.00 0.00 H new ATOM 0 HG CYS A 34 2.526 14.572 2.092 1.00 0.00 H new ATOM 171 N SER A 35 -0.910 11.624 0.443 1.00 0.00 N ATOM 172 CA SER A 35 -2.053 11.024 1.109 1.00 0.00 C ATOM 173 C SER A 35 -2.146 9.539 0.753 1.00 0.00 C ATOM 174 O SER A 35 -2.131 9.177 -0.423 1.00 0.00 O ATOM 175 CB SER A 35 -3.350 11.742 0.732 1.00 0.00 C ATOM 176 OG SER A 35 -4.451 11.309 1.527 1.00 0.00 O ATOM 0 H SER A 35 -0.675 11.209 -0.459 1.00 0.00 H new ATOM 0 HA SER A 35 -1.913 11.125 2.185 1.00 0.00 H new ATOM 0 HB2 SER A 35 -3.217 12.817 0.852 1.00 0.00 H new ATOM 0 HB3 SER A 35 -3.570 11.563 -0.320 1.00 0.00 H new ATOM 0 HG SER A 35 -4.559 11.912 2.292 1.00 0.00 H new ATOM 182 N VAL A 36 -2.240 8.719 1.789 1.00 0.00 N ATOM 183 CA VAL A 36 -2.336 7.281 1.600 1.00 0.00 C ATOM 184 C VAL A 36 -3.800 6.853 1.710 1.00 0.00 C ATOM 185 O VAL A 36 -4.586 7.490 2.410 1.00 0.00 O ATOM 186 CB VAL A 36 -1.425 6.561 2.596 1.00 0.00 C ATOM 187 CG1 VAL A 36 -1.840 6.864 4.037 1.00 0.00 C ATOM 188 CG2 VAL A 36 -1.411 5.053 2.335 1.00 0.00 C ATOM 0 H VAL A 36 -2.252 9.023 2.763 1.00 0.00 H new ATOM 0 HA VAL A 36 -1.991 7.002 0.604 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.411 6.935 2.454 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.176 6.340 4.725 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.775 7.937 4.216 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.865 6.531 4.198 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.756 4.565 3.057 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.421 4.657 2.436 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.046 4.862 1.326 1.00 0.00 H new ATOM 198 N GLU A 37 -4.123 5.776 1.009 1.00 0.00 N ATOM 199 CA GLU A 37 -5.479 5.255 1.020 1.00 0.00 C ATOM 200 C GLU A 37 -5.544 3.959 1.830 1.00 0.00 C ATOM 201 O GLU A 37 -4.723 3.062 1.640 1.00 0.00 O ATOM 202 CB GLU A 37 -5.994 5.037 -0.405 1.00 0.00 C ATOM 203 CG GLU A 37 -6.269 6.372 -1.099 1.00 0.00 C ATOM 204 CD GLU A 37 -5.793 6.343 -2.553 1.00 0.00 C ATOM 205 OE1 GLU A 37 -6.492 6.951 -3.391 1.00 0.00 O ATOM 206 OE2 GLU A 37 -4.740 5.713 -2.792 1.00 0.00 O ATOM 0 H GLU A 37 -3.469 5.250 0.430 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.126 5.991 1.497 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -5.260 4.470 -0.978 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -6.907 4.442 -0.378 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -7.337 6.590 -1.066 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -5.763 7.175 -0.563 1.00 0.00 H new ATOM 213 N ILE A 38 -6.526 3.901 2.717 1.00 0.00 N ATOM 214 CA ILE A 38 -6.708 2.730 3.557 1.00 0.00 C ATOM 215 C ILE A 38 -8.199 2.546 3.852 1.00 0.00 C ATOM 216 O ILE A 38 -8.699 3.028 4.866 1.00 0.00 O ATOM 217 CB ILE A 38 -5.841 2.832 4.814 1.00 0.00 C ATOM 218 CG1 ILE A 38 -4.452 3.377 4.478 1.00 0.00 C ATOM 219 CG2 ILE A 38 -5.770 1.488 5.541 1.00 0.00 C ATOM 220 CD1 ILE A 38 -3.546 3.367 5.712 1.00 0.00 C ATOM 0 H ILE A 38 -7.204 4.647 2.872 1.00 0.00 H new ATOM 0 HA ILE A 38 -6.372 1.833 3.037 1.00 0.00 H new ATOM 0 HB ILE A 38 -6.309 3.542 5.496 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -4.003 2.776 3.688 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.539 4.394 4.095 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -5.148 1.588 6.430 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -6.774 1.179 5.833 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -5.338 0.738 4.878 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -2.564 3.759 5.446 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -3.986 3.989 6.492 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -3.441 2.346 6.078 1.00 0.00 H new ATOM 232 N GLU A 39 -8.866 1.846 2.946 1.00 0.00 N ATOM 233 CA GLU A 39 -10.288 1.592 3.095 1.00 0.00 C ATOM 234 C GLU A 39 -10.987 2.816 3.691 1.00 0.00 C ATOM 235 O GLU A 39 -11.900 2.680 4.503 1.00 0.00 O ATOM 236 CB GLU A 39 -10.536 0.349 3.952 1.00 0.00 C ATOM 237 CG GLU A 39 -9.729 0.408 5.250 1.00 0.00 C ATOM 238 CD GLU A 39 -10.136 -0.720 6.201 1.00 0.00 C ATOM 239 OE1 GLU A 39 -9.346 -1.683 6.311 1.00 0.00 O ATOM 240 OE2 GLU A 39 -11.228 -0.593 6.797 1.00 0.00 O ATOM 0 H GLU A 39 -8.447 1.447 2.106 1.00 0.00 H new ATOM 0 HA GLU A 39 -10.708 1.403 2.107 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -11.598 0.268 4.183 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -10.263 -0.545 3.390 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -8.665 0.332 5.025 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -9.884 1.371 5.735 1.00 0.00 H new ATOM 247 N GLY A 40 -10.530 3.984 3.264 1.00 0.00 N ATOM 248 CA GLY A 40 -11.099 5.231 3.745 1.00 0.00 C ATOM 249 C GLY A 40 -10.020 6.305 3.896 1.00 0.00 C ATOM 250 O GLY A 40 -9.786 6.805 4.995 1.00 0.00 O ATOM 0 H GLY A 40 -9.772 4.093 2.590 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -11.866 5.576 3.051 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -11.588 5.065 4.705 1.00 0.00 H new ATOM 254 N SER A 41 -9.389 6.627 2.776 1.00 0.00 N ATOM 255 CA SER A 41 -8.340 7.631 2.770 1.00 0.00 C ATOM 256 C SER A 41 -8.718 8.789 3.696 1.00 0.00 C ATOM 257 O SER A 41 -9.777 9.394 3.539 1.00 0.00 O ATOM 258 CB SER A 41 -8.080 8.149 1.353 1.00 0.00 C ATOM 259 OG SER A 41 -7.235 9.296 1.350 1.00 0.00 O ATOM 0 H SER A 41 -9.585 6.210 1.866 1.00 0.00 H new ATOM 0 HA SER A 41 -7.422 7.168 3.133 1.00 0.00 H new ATOM 0 HB2 SER A 41 -7.622 7.360 0.757 1.00 0.00 H new ATOM 0 HB3 SER A 41 -9.029 8.397 0.878 1.00 0.00 H new ATOM 0 HG SER A 41 -7.092 9.595 0.428 1.00 0.00 H new ATOM 265 N ARG A 42 -7.831 9.061 4.642 1.00 0.00 N ATOM 266 CA ARG A 42 -8.058 10.135 5.594 1.00 0.00 C ATOM 267 C ARG A 42 -6.726 10.641 6.152 1.00 0.00 C ATOM 268 O ARG A 42 -6.573 10.790 7.363 1.00 0.00 O ATOM 269 CB ARG A 42 -8.944 9.667 6.751 1.00 0.00 C ATOM 270 CG ARG A 42 -8.422 8.357 7.345 1.00 0.00 C ATOM 271 CD ARG A 42 -9.346 7.853 8.456 1.00 0.00 C ATOM 272 NE ARG A 42 -8.627 6.882 9.310 1.00 0.00 N ATOM 273 CZ ARG A 42 -8.999 6.558 10.556 1.00 0.00 C ATOM 274 NH1 ARG A 42 -10.083 7.126 11.101 1.00 0.00 N ATOM 275 NH2 ARG A 42 -8.286 5.666 11.257 1.00 0.00 N ATOM 0 H ARG A 42 -6.954 8.556 4.770 1.00 0.00 H new ATOM 0 HA ARG A 42 -8.565 10.943 5.067 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -8.974 10.435 7.524 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -9.966 9.529 6.398 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -8.345 7.603 6.561 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -7.418 8.508 7.742 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -9.695 8.692 9.059 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -10.229 7.384 8.021 1.00 0.00 H new ATOM 0 HE ARG A 42 -7.796 6.431 8.926 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -10.626 7.805 10.568 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -10.366 6.879 12.049 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -7.460 5.234 10.842 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -8.569 5.419 12.205 1.00 0.00 H new ATOM 289 N HIS A 43 -5.797 10.891 5.242 1.00 0.00 N ATOM 290 CA HIS A 43 -4.483 11.376 5.628 1.00 0.00 C ATOM 291 C HIS A 43 -4.198 12.703 4.922 1.00 0.00 C ATOM 292 O HIS A 43 -4.990 13.153 4.095 1.00 0.00 O ATOM 293 CB HIS A 43 -3.411 10.319 5.357 1.00 0.00 C ATOM 294 CG HIS A 43 -3.436 9.158 6.323 1.00 0.00 C ATOM 295 ND1 HIS A 43 -4.234 8.043 6.135 1.00 0.00 N ATOM 296 CD2 HIS A 43 -2.751 8.951 7.484 1.00 0.00 C ATOM 297 CE1 HIS A 43 -4.032 7.210 7.145 1.00 0.00 C ATOM 298 NE2 HIS A 43 -3.113 7.774 7.980 1.00 0.00 N ATOM 0 H HIS A 43 -5.928 10.767 4.238 1.00 0.00 H new ATOM 0 HA HIS A 43 -4.462 11.563 6.702 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -3.539 9.938 4.344 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -2.430 10.792 5.399 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -2.036 9.629 7.925 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -4.511 6.252 7.283 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -2.762 7.360 8.843 1.00 0.00 H new ATOM 306 N ARG A 44 -3.064 13.292 5.272 1.00 0.00 N ATOM 307 CA ARG A 44 -2.665 14.559 4.682 1.00 0.00 C ATOM 308 C ARG A 44 -1.377 15.066 5.334 1.00 0.00 C ATOM 309 O ARG A 44 -1.316 15.229 6.552 1.00 0.00 O ATOM 310 CB ARG A 44 -3.761 15.613 4.847 1.00 0.00 C ATOM 311 CG ARG A 44 -3.944 16.421 3.561 1.00 0.00 C ATOM 312 CD ARG A 44 -5.227 17.252 3.612 1.00 0.00 C ATOM 313 NE ARG A 44 -4.945 18.644 3.197 1.00 0.00 N ATOM 314 CZ ARG A 44 -4.493 19.597 4.023 1.00 0.00 C ATOM 315 NH1 ARG A 44 -4.268 19.314 5.314 1.00 0.00 N ATOM 316 NH2 ARG A 44 -4.265 20.834 3.559 1.00 0.00 N ATOM 0 H ARG A 44 -2.409 12.915 5.957 1.00 0.00 H new ATOM 0 HA ARG A 44 -2.496 14.391 3.618 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -4.700 15.127 5.112 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -3.505 16.283 5.668 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -3.087 17.078 3.415 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -3.977 15.746 2.705 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -5.980 16.814 2.957 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -5.637 17.241 4.622 1.00 0.00 H new ATOM 0 HE ARG A 44 -5.105 18.894 2.221 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -4.441 18.373 5.667 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -3.924 20.040 5.943 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -4.436 21.050 2.577 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -3.921 21.559 4.188 1.00 0.00 H new ATOM 330 N ALA A 45 -0.379 15.300 4.495 1.00 0.00 N ATOM 331 CA ALA A 45 0.904 15.785 4.974 1.00 0.00 C ATOM 332 C ALA A 45 1.812 16.080 3.779 1.00 0.00 C ATOM 333 O ALA A 45 1.516 15.676 2.655 1.00 0.00 O ATOM 334 CB ALA A 45 1.514 14.757 5.930 1.00 0.00 C ATOM 0 H ALA A 45 -0.433 15.163 3.486 1.00 0.00 H new ATOM 0 HA ALA A 45 0.779 16.714 5.530 1.00 0.00 H new ATOM 0 HB1 ALA A 45 2.477 15.121 6.289 1.00 0.00 H new ATOM 0 HB2 ALA A 45 0.844 14.605 6.777 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.656 13.812 5.406 1.00 0.00 H new ATOM 340 N PRO A 46 2.928 16.801 4.069 1.00 0.00 N ATOM 341 CA PRO A 46 3.881 17.155 3.031 1.00 0.00 C ATOM 342 C PRO A 46 4.726 15.946 2.626 1.00 0.00 C ATOM 343 O PRO A 46 5.091 15.129 3.470 1.00 0.00 O ATOM 344 CB PRO A 46 4.707 18.285 3.624 1.00 0.00 C ATOM 345 CG PRO A 46 4.498 18.209 5.128 1.00 0.00 C ATOM 346 CD PRO A 46 3.311 17.296 5.388 1.00 0.00 C ATOM 0 HA PRO A 46 3.397 17.475 2.108 1.00 0.00 H new ATOM 0 HB2 PRO A 46 5.761 18.173 3.370 1.00 0.00 H new ATOM 0 HB3 PRO A 46 4.386 19.250 3.233 1.00 0.00 H new ATOM 0 HG2 PRO A 46 5.391 17.823 5.619 1.00 0.00 H new ATOM 0 HG3 PRO A 46 4.313 19.202 5.538 1.00 0.00 H new ATOM 0 HD2 PRO A 46 3.580 16.477 6.055 1.00 0.00 H new ATOM 0 HD3 PRO A 46 2.492 17.837 5.861 1.00 0.00 H new ATOM 354 N VAL A 47 5.011 15.869 1.335 1.00 0.00 N ATOM 355 CA VAL A 47 5.806 14.773 0.808 1.00 0.00 C ATOM 356 C VAL A 47 7.190 14.791 1.461 1.00 0.00 C ATOM 357 O VAL A 47 7.868 13.767 1.515 1.00 0.00 O ATOM 358 CB VAL A 47 5.865 14.856 -0.719 1.00 0.00 C ATOM 359 CG1 VAL A 47 7.118 14.162 -1.258 1.00 0.00 C ATOM 360 CG2 VAL A 47 4.600 14.269 -1.349 1.00 0.00 C ATOM 0 H VAL A 47 4.706 16.548 0.638 1.00 0.00 H new ATOM 0 HA VAL A 47 5.344 13.816 1.051 1.00 0.00 H new ATOM 0 HB VAL A 47 5.920 15.909 -0.995 1.00 0.00 H new ATOM 0 HG11 VAL A 47 7.135 14.236 -2.345 1.00 0.00 H new ATOM 0 HG12 VAL A 47 8.006 14.643 -0.848 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.107 13.112 -0.966 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.667 14.340 -2.435 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.501 13.223 -1.059 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.729 14.825 -1.002 1.00 0.00 H new ATOM 370 N ASP A 48 7.566 15.968 1.941 1.00 0.00 N ATOM 371 CA ASP A 48 8.856 16.133 2.589 1.00 0.00 C ATOM 372 C ASP A 48 8.779 15.588 4.016 1.00 0.00 C ATOM 373 O ASP A 48 9.763 15.629 4.754 1.00 0.00 O ATOM 374 CB ASP A 48 9.248 17.610 2.667 1.00 0.00 C ATOM 375 CG ASP A 48 8.310 18.484 3.502 1.00 0.00 C ATOM 376 OD1 ASP A 48 7.879 19.527 2.966 1.00 0.00 O ATOM 377 OD2 ASP A 48 8.046 18.090 4.659 1.00 0.00 O ATOM 0 H ASP A 48 7.000 16.815 1.894 1.00 0.00 H new ATOM 0 HA ASP A 48 9.599 15.593 2.003 1.00 0.00 H new ATOM 0 HB2 ASP A 48 10.253 17.682 3.082 1.00 0.00 H new ATOM 0 HB3 ASP A 48 9.291 18.013 1.655 1.00 0.00 H new ATOM 382 N SER A 49 7.601 15.091 4.363 1.00 0.00 N ATOM 383 CA SER A 49 7.383 14.538 5.689 1.00 0.00 C ATOM 384 C SER A 49 7.070 13.044 5.588 1.00 0.00 C ATOM 385 O SER A 49 6.286 12.516 6.376 1.00 0.00 O ATOM 386 CB SER A 49 6.250 15.270 6.411 1.00 0.00 C ATOM 387 OG SER A 49 6.740 16.140 7.429 1.00 0.00 O ATOM 0 H SER A 49 6.787 15.060 3.749 1.00 0.00 H new ATOM 0 HA SER A 49 8.295 14.673 6.270 1.00 0.00 H new ATOM 0 HB2 SER A 49 5.672 15.846 5.688 1.00 0.00 H new ATOM 0 HB3 SER A 49 5.571 14.541 6.853 1.00 0.00 H new ATOM 0 HG SER A 49 5.987 16.590 7.865 1.00 0.00 H new ATOM 393 N LEU A 50 7.698 12.404 4.613 1.00 0.00 N ATOM 394 CA LEU A 50 7.497 10.982 4.399 1.00 0.00 C ATOM 395 C LEU A 50 8.744 10.220 4.853 1.00 0.00 C ATOM 396 O LEU A 50 9.808 10.812 5.027 1.00 0.00 O ATOM 397 CB LEU A 50 7.104 10.708 2.946 1.00 0.00 C ATOM 398 CG LEU A 50 5.764 11.291 2.492 1.00 0.00 C ATOM 399 CD1 LEU A 50 5.622 11.218 0.971 1.00 0.00 C ATOM 400 CD2 LEU A 50 4.598 10.608 3.210 1.00 0.00 C ATOM 0 H LEU A 50 8.347 12.845 3.962 1.00 0.00 H new ATOM 0 HA LEU A 50 6.665 10.621 5.003 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.887 11.102 2.298 1.00 0.00 H new ATOM 0 HB3 LEU A 50 7.078 9.629 2.795 1.00 0.00 H new ATOM 0 HG LEU A 50 5.739 12.345 2.767 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.661 11.639 0.675 1.00 0.00 H new ATOM 0 HD12 LEU A 50 6.426 11.785 0.503 1.00 0.00 H new ATOM 0 HD13 LEU A 50 5.677 10.178 0.650 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.657 11.041 2.869 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.608 9.541 2.987 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.697 10.755 4.286 1.00 0.00 H new ATOM 412 N ARG A 51 8.571 8.919 5.032 1.00 0.00 N ATOM 413 CA ARG A 51 9.669 8.070 5.462 1.00 0.00 C ATOM 414 C ARG A 51 9.359 6.604 5.156 1.00 0.00 C ATOM 415 O ARG A 51 8.241 6.142 5.382 1.00 0.00 O ATOM 416 CB ARG A 51 9.931 8.226 6.962 1.00 0.00 C ATOM 417 CG ARG A 51 11.250 7.561 7.360 1.00 0.00 C ATOM 418 CD ARG A 51 12.238 8.590 7.912 1.00 0.00 C ATOM 419 NE ARG A 51 12.872 8.073 9.145 1.00 0.00 N ATOM 420 CZ ARG A 51 13.902 8.665 9.766 1.00 0.00 C ATOM 421 NH1 ARG A 51 14.420 9.798 9.273 1.00 0.00 N ATOM 422 NH2 ARG A 51 14.413 8.124 10.880 1.00 0.00 N ATOM 0 H ARG A 51 7.687 8.432 4.887 1.00 0.00 H new ATOM 0 HA ARG A 51 10.560 8.378 4.914 1.00 0.00 H new ATOM 0 HB2 ARG A 51 9.960 9.284 7.222 1.00 0.00 H new ATOM 0 HB3 ARG A 51 9.111 7.782 7.526 1.00 0.00 H new ATOM 0 HG2 ARG A 51 11.062 6.793 8.110 1.00 0.00 H new ATOM 0 HG3 ARG A 51 11.685 7.062 6.494 1.00 0.00 H new ATOM 0 HD2 ARG A 51 13.001 8.810 7.166 1.00 0.00 H new ATOM 0 HD3 ARG A 51 11.721 9.526 8.124 1.00 0.00 H new ATOM 0 HE ARG A 51 12.502 7.212 9.548 1.00 0.00 H new ATOM 0 HH11 ARG A 51 14.031 10.210 8.425 1.00 0.00 H new ATOM 0 HH12 ARG A 51 15.204 10.248 9.746 1.00 0.00 H new ATOM 0 HH21 ARG A 51 14.018 7.262 11.256 1.00 0.00 H new ATOM 0 HH22 ARG A 51 15.197 8.574 11.353 1.00 0.00 H new ATOM 436 N ILE A 52 10.367 5.913 4.645 1.00 0.00 N ATOM 437 CA ILE A 52 10.216 4.508 4.305 1.00 0.00 C ATOM 438 C ILE A 52 10.867 3.651 5.393 1.00 0.00 C ATOM 439 O ILE A 52 11.924 4.002 5.914 1.00 0.00 O ATOM 440 CB ILE A 52 10.758 4.235 2.901 1.00 0.00 C ATOM 441 CG1 ILE A 52 9.963 5.008 1.846 1.00 0.00 C ATOM 442 CG2 ILE A 52 10.791 2.734 2.608 1.00 0.00 C ATOM 443 CD1 ILE A 52 10.071 4.334 0.476 1.00 0.00 C ATOM 0 H ILE A 52 11.292 6.300 4.458 1.00 0.00 H new ATOM 0 HA ILE A 52 9.161 4.236 4.273 1.00 0.00 H new ATOM 0 HB ILE A 52 11.786 4.594 2.856 1.00 0.00 H new ATOM 0 HG12 ILE A 52 8.916 5.067 2.145 1.00 0.00 H new ATOM 0 HG13 ILE A 52 10.334 6.031 1.783 1.00 0.00 H new ATOM 0 HG21 ILE A 52 11.180 2.568 1.604 1.00 0.00 H new ATOM 0 HG22 ILE A 52 11.434 2.236 3.333 1.00 0.00 H new ATOM 0 HG23 ILE A 52 9.782 2.327 2.678 1.00 0.00 H new ATOM 0 HD11 ILE A 52 9.497 4.903 -0.256 1.00 0.00 H new ATOM 0 HD12 ILE A 52 11.116 4.299 0.169 1.00 0.00 H new ATOM 0 HD13 ILE A 52 9.676 3.320 0.537 1.00 0.00 H new ATOM 455 N GLY A 53 10.208 2.545 5.703 1.00 0.00 N ATOM 456 CA GLY A 53 10.709 1.635 6.719 1.00 0.00 C ATOM 457 C GLY A 53 10.605 0.182 6.254 1.00 0.00 C ATOM 458 O GLY A 53 10.127 -0.089 5.153 1.00 0.00 O ATOM 0 H GLY A 53 9.331 2.258 5.268 1.00 0.00 H new ATOM 0 HA2 GLY A 53 11.748 1.874 6.946 1.00 0.00 H new ATOM 0 HA3 GLY A 53 10.143 1.767 7.641 1.00 0.00 H new ATOM 462 N THR A 54 11.059 -0.716 7.116 1.00 0.00 N ATOM 463 CA THR A 54 11.023 -2.136 6.807 1.00 0.00 C ATOM 464 C THR A 54 10.275 -2.901 7.901 1.00 0.00 C ATOM 465 O THR A 54 10.386 -2.570 9.080 1.00 0.00 O ATOM 466 CB THR A 54 12.463 -2.613 6.607 1.00 0.00 C ATOM 467 OG1 THR A 54 12.969 -1.769 5.577 1.00 0.00 O ATOM 468 CG2 THR A 54 12.536 -4.019 6.007 1.00 0.00 C ATOM 0 H THR A 54 11.454 -0.488 8.028 1.00 0.00 H new ATOM 0 HA THR A 54 10.472 -2.327 5.886 1.00 0.00 H new ATOM 0 HB THR A 54 12.986 -2.599 7.563 1.00 0.00 H new ATOM 0 HG1 THR A 54 13.387 -0.978 5.978 1.00 0.00 H new ATOM 0 HG21 THR A 54 13.580 -4.309 5.886 1.00 0.00 H new ATOM 0 HG22 THR A 54 12.038 -4.725 6.672 1.00 0.00 H new ATOM 0 HG23 THR A 54 12.042 -4.026 5.035 1.00 0.00 H new ATOM 476 N ASP A 55 9.531 -3.908 7.470 1.00 0.00 N ATOM 477 CA ASP A 55 8.765 -4.723 8.398 1.00 0.00 C ATOM 478 C ASP A 55 9.299 -6.156 8.373 1.00 0.00 C ATOM 479 O ASP A 55 9.012 -6.914 7.447 1.00 0.00 O ATOM 480 CB ASP A 55 7.287 -4.763 8.005 1.00 0.00 C ATOM 481 CG ASP A 55 6.307 -4.467 9.143 1.00 0.00 C ATOM 482 OD1 ASP A 55 5.150 -4.925 9.029 1.00 0.00 O ATOM 483 OD2 ASP A 55 6.738 -3.789 10.101 1.00 0.00 O ATOM 0 H ASP A 55 9.442 -4.179 6.491 1.00 0.00 H new ATOM 0 HA ASP A 55 8.863 -4.285 9.391 1.00 0.00 H new ATOM 0 HB2 ASP A 55 7.120 -4.042 7.205 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.061 -5.749 7.598 1.00 0.00 H new ATOM 488 N ALA A 56 10.068 -6.485 9.401 1.00 0.00 N ATOM 489 CA ALA A 56 10.646 -7.814 9.508 1.00 0.00 C ATOM 490 C ALA A 56 9.530 -8.832 9.752 1.00 0.00 C ATOM 491 O ALA A 56 9.759 -10.039 9.683 1.00 0.00 O ATOM 492 CB ALA A 56 11.699 -7.825 10.618 1.00 0.00 C ATOM 0 H ALA A 56 10.304 -5.854 10.167 1.00 0.00 H new ATOM 0 HA ALA A 56 11.148 -8.091 8.581 1.00 0.00 H new ATOM 0 HB1 ALA A 56 12.133 -8.822 10.698 1.00 0.00 H new ATOM 0 HB2 ALA A 56 12.484 -7.106 10.382 1.00 0.00 H new ATOM 0 HB3 ALA A 56 11.232 -7.555 11.565 1.00 0.00 H new ATOM 498 N GLU A 57 8.346 -8.308 10.034 1.00 0.00 N ATOM 499 CA GLU A 57 7.194 -9.156 10.289 1.00 0.00 C ATOM 500 C GLU A 57 6.873 -10.002 9.055 1.00 0.00 C ATOM 501 O GLU A 57 6.529 -11.176 9.176 1.00 0.00 O ATOM 502 CB GLU A 57 5.983 -8.323 10.713 1.00 0.00 C ATOM 503 CG GLU A 57 5.079 -9.112 11.661 1.00 0.00 C ATOM 504 CD GLU A 57 3.615 -9.024 11.224 1.00 0.00 C ATOM 505 OE1 GLU A 57 2.932 -10.067 11.314 1.00 0.00 O ATOM 506 OE2 GLU A 57 3.212 -7.916 10.811 1.00 0.00 O ATOM 0 H GLU A 57 8.160 -7.307 10.091 1.00 0.00 H new ATOM 0 HA GLU A 57 7.438 -9.828 11.112 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.319 -7.409 11.202 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.417 -8.023 9.831 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.393 -10.156 11.684 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.183 -8.725 12.675 1.00 0.00 H new ATOM 513 N ALA A 58 6.999 -9.371 7.897 1.00 0.00 N ATOM 514 CA ALA A 58 6.727 -10.051 6.641 1.00 0.00 C ATOM 515 C ALA A 58 7.859 -9.763 5.654 1.00 0.00 C ATOM 516 O ALA A 58 7.728 -10.025 4.460 1.00 0.00 O ATOM 517 CB ALA A 58 5.362 -9.611 6.108 1.00 0.00 C ATOM 0 H ALA A 58 7.286 -8.397 7.802 1.00 0.00 H new ATOM 0 HA ALA A 58 6.687 -11.130 6.790 1.00 0.00 H new ATOM 0 HB1 ALA A 58 5.158 -10.121 5.166 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.589 -9.865 6.833 1.00 0.00 H new ATOM 0 HB3 ALA A 58 5.366 -8.533 5.944 1.00 0.00 H new ATOM 523 N ARG A 59 8.946 -9.227 6.190 1.00 0.00 N ATOM 524 CA ARG A 59 10.101 -8.900 5.371 1.00 0.00 C ATOM 525 C ARG A 59 9.679 -8.042 4.177 1.00 0.00 C ATOM 526 O ARG A 59 10.037 -8.338 3.038 1.00 0.00 O ATOM 527 CB ARG A 59 10.791 -10.167 4.862 1.00 0.00 C ATOM 528 CG ARG A 59 11.716 -10.756 5.930 1.00 0.00 C ATOM 529 CD ARG A 59 11.468 -12.256 6.103 1.00 0.00 C ATOM 530 NE ARG A 59 12.501 -12.840 6.988 1.00 0.00 N ATOM 531 CZ ARG A 59 13.782 -13.013 6.635 1.00 0.00 C ATOM 532 NH1 ARG A 59 14.196 -12.648 5.414 1.00 0.00 N ATOM 533 NH2 ARG A 59 14.649 -13.551 7.504 1.00 0.00 N ATOM 0 H ARG A 59 9.051 -9.011 7.181 1.00 0.00 H new ATOM 0 HA ARG A 59 10.802 -8.343 5.993 1.00 0.00 H new ATOM 0 HB2 ARG A 59 10.041 -10.905 4.579 1.00 0.00 H new ATOM 0 HB3 ARG A 59 11.366 -9.937 3.965 1.00 0.00 H new ATOM 0 HG2 ARG A 59 12.756 -10.586 5.650 1.00 0.00 H new ATOM 0 HG3 ARG A 59 11.554 -10.245 6.879 1.00 0.00 H new ATOM 0 HD2 ARG A 59 10.478 -12.423 6.526 1.00 0.00 H new ATOM 0 HD3 ARG A 59 11.487 -12.751 5.132 1.00 0.00 H new ATOM 0 HE ARG A 59 12.220 -13.129 7.925 1.00 0.00 H new ATOM 0 HH11 ARG A 59 13.536 -12.238 4.753 1.00 0.00 H new ATOM 0 HH12 ARG A 59 15.171 -12.780 5.146 1.00 0.00 H new ATOM 0 HH21 ARG A 59 14.334 -13.829 8.433 1.00 0.00 H new ATOM 0 HH22 ARG A 59 15.624 -13.683 7.236 1.00 0.00 H new ATOM 547 N LEU A 60 8.924 -6.996 4.478 1.00 0.00 N ATOM 548 CA LEU A 60 8.450 -6.093 3.443 1.00 0.00 C ATOM 549 C LEU A 60 8.687 -4.648 3.886 1.00 0.00 C ATOM 550 O LEU A 60 8.926 -4.387 5.064 1.00 0.00 O ATOM 551 CB LEU A 60 6.992 -6.397 3.094 1.00 0.00 C ATOM 552 CG LEU A 60 5.941 -5.516 3.773 1.00 0.00 C ATOM 553 CD1 LEU A 60 4.618 -5.550 3.006 1.00 0.00 C ATOM 554 CD2 LEU A 60 5.762 -5.910 5.241 1.00 0.00 C ATOM 0 H LEU A 60 8.629 -6.754 5.424 1.00 0.00 H new ATOM 0 HA LEU A 60 9.012 -6.241 2.521 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.871 -6.306 2.015 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.787 -7.436 3.351 1.00 0.00 H new ATOM 0 HG LEU A 60 6.296 -4.486 3.756 1.00 0.00 H new ATOM 0 HD11 LEU A 60 3.889 -4.916 3.510 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.776 -5.185 1.991 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.245 -6.573 2.970 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.010 -5.269 5.701 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.439 -6.949 5.302 1.00 0.00 H new ATOM 0 HD23 LEU A 60 6.709 -5.793 5.767 1.00 0.00 H new ATOM 566 N SER A 61 8.614 -3.746 2.918 1.00 0.00 N ATOM 567 CA SER A 61 8.818 -2.334 3.192 1.00 0.00 C ATOM 568 C SER A 61 7.507 -1.697 3.660 1.00 0.00 C ATOM 569 O SER A 61 6.431 -2.075 3.200 1.00 0.00 O ATOM 570 CB SER A 61 9.352 -1.604 1.958 1.00 0.00 C ATOM 571 OG SER A 61 8.463 -1.710 0.850 1.00 0.00 O ATOM 0 H SER A 61 8.416 -3.966 1.942 1.00 0.00 H new ATOM 0 HA SER A 61 9.562 -2.244 3.984 1.00 0.00 H new ATOM 0 HB2 SER A 61 9.508 -0.552 2.198 1.00 0.00 H new ATOM 0 HB3 SER A 61 10.323 -2.016 1.685 1.00 0.00 H new ATOM 0 HG SER A 61 8.838 -1.230 0.082 1.00 0.00 H new ATOM 577 N VAL A 62 7.642 -0.742 4.568 1.00 0.00 N ATOM 578 CA VAL A 62 6.482 -0.049 5.103 1.00 0.00 C ATOM 579 C VAL A 62 6.614 1.449 4.823 1.00 0.00 C ATOM 580 O VAL A 62 7.661 1.910 4.371 1.00 0.00 O ATOM 581 CB VAL A 62 6.323 -0.367 6.591 1.00 0.00 C ATOM 582 CG1 VAL A 62 5.694 -1.748 6.792 1.00 0.00 C ATOM 583 CG2 VAL A 62 7.664 -0.263 7.320 1.00 0.00 C ATOM 0 H VAL A 62 8.537 -0.432 4.947 1.00 0.00 H new ATOM 0 HA VAL A 62 5.572 -0.393 4.612 1.00 0.00 H new ATOM 0 HB VAL A 62 5.650 0.374 7.022 1.00 0.00 H new ATOM 0 HG11 VAL A 62 5.592 -1.950 7.858 1.00 0.00 H new ATOM 0 HG12 VAL A 62 4.711 -1.772 6.323 1.00 0.00 H new ATOM 0 HG13 VAL A 62 6.331 -2.507 6.338 1.00 0.00 H new ATOM 0 HG21 VAL A 62 7.523 -0.494 8.376 1.00 0.00 H new ATOM 0 HG22 VAL A 62 8.370 -0.970 6.885 1.00 0.00 H new ATOM 0 HG23 VAL A 62 8.055 0.749 7.219 1.00 0.00 H new ATOM 593 N LEU A 63 5.537 2.168 5.102 1.00 0.00 N ATOM 594 CA LEU A 63 5.519 3.605 4.886 1.00 0.00 C ATOM 595 C LEU A 63 5.145 4.308 6.192 1.00 0.00 C ATOM 596 O LEU A 63 4.343 3.794 6.970 1.00 0.00 O ATOM 597 CB LEU A 63 4.604 3.959 3.712 1.00 0.00 C ATOM 598 CG LEU A 63 3.881 5.304 3.807 1.00 0.00 C ATOM 599 CD1 LEU A 63 2.852 5.294 4.940 1.00 0.00 C ATOM 600 CD2 LEU A 63 4.879 6.454 3.950 1.00 0.00 C ATOM 0 H LEU A 63 4.670 1.782 5.476 1.00 0.00 H new ATOM 0 HA LEU A 63 6.510 3.961 4.605 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.199 3.953 2.799 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.856 3.173 3.611 1.00 0.00 H new ATOM 0 HG LEU A 63 3.335 5.465 2.877 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.352 6.262 4.986 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.114 4.513 4.755 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.356 5.100 5.887 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.339 7.398 4.015 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.471 6.311 4.854 1.00 0.00 H new ATOM 0 HD23 LEU A 63 5.539 6.473 3.083 1.00 0.00 H new ATOM 612 N TYR A 64 5.743 5.474 6.392 1.00 0.00 N ATOM 613 CA TYR A 64 5.482 6.253 7.590 1.00 0.00 C ATOM 614 C TYR A 64 4.835 7.595 7.241 1.00 0.00 C ATOM 615 O TYR A 64 5.444 8.425 6.568 1.00 0.00 O ATOM 616 CB TYR A 64 6.847 6.510 8.231 1.00 0.00 C ATOM 617 CG TYR A 64 7.209 5.520 9.341 1.00 0.00 C ATOM 618 CD1 TYR A 64 7.498 4.207 9.027 1.00 0.00 C ATOM 619 CD2 TYR A 64 7.247 5.940 10.655 1.00 0.00 C ATOM 620 CE1 TYR A 64 7.839 3.276 10.071 1.00 0.00 C ATOM 621 CE2 TYR A 64 7.588 5.009 11.698 1.00 0.00 C ATOM 622 CZ TYR A 64 7.867 3.723 11.355 1.00 0.00 C ATOM 623 OH TYR A 64 8.190 2.843 12.341 1.00 0.00 O ATOM 0 H TYR A 64 6.407 5.898 5.744 1.00 0.00 H new ATOM 0 HA TYR A 64 4.802 5.720 8.254 1.00 0.00 H new ATOM 0 HB2 TYR A 64 7.614 6.469 7.457 1.00 0.00 H new ATOM 0 HB3 TYR A 64 6.861 7.520 8.640 1.00 0.00 H new ATOM 0 HD1 TYR A 64 7.468 3.878 7.999 1.00 0.00 H new ATOM 0 HD2 TYR A 64 7.021 6.967 10.901 1.00 0.00 H new ATOM 0 HE1 TYR A 64 8.067 2.246 9.840 1.00 0.00 H new ATOM 0 HE2 TYR A 64 7.622 5.325 12.730 1.00 0.00 H new ATOM 0 HH TYR A 64 8.172 3.301 13.207 1.00 0.00 H new ATOM 633 N ILE A 65 3.610 7.766 7.714 1.00 0.00 N ATOM 634 CA ILE A 65 2.873 8.993 7.461 1.00 0.00 C ATOM 635 C ILE A 65 2.362 9.558 8.787 1.00 0.00 C ATOM 636 O ILE A 65 1.443 9.005 9.389 1.00 0.00 O ATOM 637 CB ILE A 65 1.770 8.752 6.428 1.00 0.00 C ATOM 638 CG1 ILE A 65 1.198 10.077 5.919 1.00 0.00 C ATOM 639 CG2 ILE A 65 0.682 7.836 6.992 1.00 0.00 C ATOM 640 CD1 ILE A 65 2.078 10.666 4.814 1.00 0.00 C ATOM 0 H ILE A 65 3.108 7.075 8.272 1.00 0.00 H new ATOM 0 HA ILE A 65 3.527 9.748 7.024 1.00 0.00 H new ATOM 0 HB ILE A 65 2.209 8.240 5.571 1.00 0.00 H new ATOM 0 HG12 ILE A 65 0.188 9.919 5.540 1.00 0.00 H new ATOM 0 HG13 ILE A 65 1.122 10.785 6.744 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -0.090 7.681 6.238 1.00 0.00 H new ATOM 0 HG22 ILE A 65 1.120 6.876 7.266 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.239 8.298 7.875 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.649 11.607 4.470 1.00 0.00 H new ATOM 0 HD12 ILE A 65 3.080 10.845 5.204 1.00 0.00 H new ATOM 0 HD13 ILE A 65 2.132 9.966 3.980 1.00 0.00 H new ATOM 652 N ASP A 66 2.979 10.654 9.204 1.00 0.00 N ATOM 653 CA ASP A 66 2.598 11.301 10.448 1.00 0.00 C ATOM 654 C ASP A 66 3.272 10.583 11.618 1.00 0.00 C ATOM 655 O ASP A 66 3.159 11.015 12.764 1.00 0.00 O ATOM 656 CB ASP A 66 1.084 11.235 10.661 1.00 0.00 C ATOM 657 CG ASP A 66 0.491 12.402 11.453 1.00 0.00 C ATOM 658 OD1 ASP A 66 -0.637 12.228 11.961 1.00 0.00 O ATOM 659 OD2 ASP A 66 1.180 13.442 11.532 1.00 0.00 O ATOM 0 H ASP A 66 3.741 11.110 8.702 1.00 0.00 H new ATOM 0 HA ASP A 66 2.910 12.344 10.396 1.00 0.00 H new ATOM 0 HB2 ASP A 66 0.597 11.192 9.687 1.00 0.00 H new ATOM 0 HB3 ASP A 66 0.845 10.306 11.178 1.00 0.00 H new ATOM 664 N GLY A 67 3.959 9.499 11.290 1.00 0.00 N ATOM 665 CA GLY A 67 4.651 8.717 12.300 1.00 0.00 C ATOM 666 C GLY A 67 3.961 7.369 12.518 1.00 0.00 C ATOM 667 O GLY A 67 4.214 6.692 13.514 1.00 0.00 O ATOM 0 H GLY A 67 4.051 9.144 10.338 1.00 0.00 H new ATOM 0 HA2 GLY A 67 5.685 8.555 11.995 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.679 9.271 13.238 1.00 0.00 H new ATOM 671 N LYS A 68 3.103 7.019 11.571 1.00 0.00 N ATOM 672 CA LYS A 68 2.375 5.764 11.647 1.00 0.00 C ATOM 673 C LYS A 68 3.147 4.684 10.886 1.00 0.00 C ATOM 674 O LYS A 68 4.114 4.984 10.187 1.00 0.00 O ATOM 675 CB LYS A 68 0.936 5.949 11.161 1.00 0.00 C ATOM 676 CG LYS A 68 0.879 6.021 9.633 1.00 0.00 C ATOM 677 CD LYS A 68 -0.006 4.909 9.065 1.00 0.00 C ATOM 678 CE LYS A 68 -1.449 5.055 9.551 1.00 0.00 C ATOM 679 NZ LYS A 68 -1.893 3.820 10.235 1.00 0.00 N ATOM 0 H LYS A 68 2.896 7.583 10.747 1.00 0.00 H new ATOM 0 HA LYS A 68 2.297 5.431 12.682 1.00 0.00 H new ATOM 0 HB2 LYS A 68 0.320 5.121 11.513 1.00 0.00 H new ATOM 0 HB3 LYS A 68 0.519 6.861 11.588 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.492 6.992 9.325 1.00 0.00 H new ATOM 0 HG3 LYS A 68 1.885 5.935 9.223 1.00 0.00 H new ATOM 0 HD2 LYS A 68 0.020 4.940 7.976 1.00 0.00 H new ATOM 0 HD3 LYS A 68 0.386 3.938 9.366 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -1.526 5.903 10.232 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -2.104 5.265 8.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -2.875 3.936 10.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -1.839 3.019 9.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -1.278 3.636 11.053 1.00 0.00 H new ATOM 693 N ARG A 69 2.692 3.451 11.049 1.00 0.00 N ATOM 694 CA ARG A 69 3.327 2.325 10.386 1.00 0.00 C ATOM 695 C ARG A 69 2.274 1.433 9.726 1.00 0.00 C ATOM 696 O ARG A 69 1.444 0.837 10.410 1.00 0.00 O ATOM 697 CB ARG A 69 4.143 1.492 11.377 1.00 0.00 C ATOM 698 CG ARG A 69 5.120 0.570 10.644 1.00 0.00 C ATOM 699 CD ARG A 69 4.443 -0.746 10.253 1.00 0.00 C ATOM 700 NE ARG A 69 5.167 -1.886 10.857 1.00 0.00 N ATOM 701 CZ ARG A 69 4.947 -2.344 12.097 1.00 0.00 C ATOM 702 NH1 ARG A 69 4.023 -1.760 12.872 1.00 0.00 N ATOM 703 NH2 ARG A 69 5.652 -3.385 12.562 1.00 0.00 N ATOM 0 H ARG A 69 1.891 3.207 11.631 1.00 0.00 H new ATOM 0 HA ARG A 69 3.997 2.724 9.625 1.00 0.00 H new ATOM 0 HB2 ARG A 69 4.694 2.153 12.046 1.00 0.00 H new ATOM 0 HB3 ARG A 69 3.472 0.898 11.997 1.00 0.00 H new ATOM 0 HG2 ARG A 69 5.496 1.069 9.751 1.00 0.00 H new ATOM 0 HG3 ARG A 69 5.980 0.365 11.281 1.00 0.00 H new ATOM 0 HD2 ARG A 69 3.406 -0.745 10.588 1.00 0.00 H new ATOM 0 HD3 ARG A 69 4.427 -0.848 9.168 1.00 0.00 H new ATOM 0 HE ARG A 69 5.878 -2.353 10.294 1.00 0.00 H new ATOM 0 HH11 ARG A 69 3.488 -0.967 12.518 1.00 0.00 H new ATOM 0 HH12 ARG A 69 3.855 -2.108 13.816 1.00 0.00 H new ATOM 0 HH21 ARG A 69 6.356 -3.829 11.972 1.00 0.00 H new ATOM 0 HH22 ARG A 69 5.485 -3.734 13.506 1.00 0.00 H new ATOM 717 N LEU A 70 2.342 1.370 8.405 1.00 0.00 N ATOM 718 CA LEU A 70 1.404 0.561 7.645 1.00 0.00 C ATOM 719 C LEU A 70 2.163 -0.210 6.563 1.00 0.00 C ATOM 720 O LEU A 70 3.348 0.030 6.340 1.00 0.00 O ATOM 721 CB LEU A 70 0.268 1.429 7.099 1.00 0.00 C ATOM 722 CG LEU A 70 0.380 1.833 5.628 1.00 0.00 C ATOM 723 CD1 LEU A 70 -0.533 0.972 4.752 1.00 0.00 C ATOM 724 CD2 LEU A 70 0.105 3.327 5.447 1.00 0.00 C ATOM 0 H LEU A 70 3.032 1.866 7.841 1.00 0.00 H new ATOM 0 HA LEU A 70 0.928 -0.178 8.290 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.671 0.893 7.237 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.209 2.336 7.701 1.00 0.00 H new ATOM 0 HG LEU A 70 1.404 1.652 5.301 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.434 1.280 3.711 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -0.248 -0.076 4.849 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.568 1.098 5.071 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.191 3.588 4.392 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.902 3.557 5.796 1.00 0.00 H new ATOM 0 HD23 LEU A 70 0.829 3.903 6.023 1.00 0.00 H new ATOM 736 N HIS A 71 1.448 -1.122 5.920 1.00 0.00 N ATOM 737 CA HIS A 71 2.039 -1.930 4.867 1.00 0.00 C ATOM 738 C HIS A 71 1.586 -1.407 3.503 1.00 0.00 C ATOM 739 O HIS A 71 0.400 -1.454 3.178 1.00 0.00 O ATOM 740 CB HIS A 71 1.713 -3.411 5.072 1.00 0.00 C ATOM 741 CG HIS A 71 0.237 -3.705 5.187 1.00 0.00 C ATOM 742 ND1 HIS A 71 -0.620 -3.568 6.239 1.00 0.00 N flip ATOM 743 CD2 HIS A 71 -0.513 -4.202 4.135 1.00 0.00 C flip ATOM 744 CE1 HIS A 71 -1.828 -3.959 5.851 1.00 0.00 C flip ATOM 745 NE2 HIS A 71 -1.763 -4.353 4.547 1.00 0.00 N flip ATOM 0 H HIS A 71 0.465 -1.319 6.108 1.00 0.00 H new ATOM 0 HA HIS A 71 3.125 -1.847 4.906 1.00 0.00 H new ATOM 0 HB2 HIS A 71 2.123 -3.981 4.238 1.00 0.00 H new ATOM 0 HB3 HIS A 71 2.214 -3.761 5.974 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -0.142 -4.428 3.146 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -2.716 -3.964 6.466 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -2.541 -4.703 3.987 1.00 0.00 H new ATOM 753 N ILE A 72 2.554 -0.919 2.741 1.00 0.00 N ATOM 754 CA ILE A 72 2.270 -0.387 1.419 1.00 0.00 C ATOM 755 C ILE A 72 2.865 -1.318 0.360 1.00 0.00 C ATOM 756 O ILE A 72 3.607 -2.243 0.689 1.00 0.00 O ATOM 757 CB ILE A 72 2.754 1.060 1.308 1.00 0.00 C ATOM 758 CG1 ILE A 72 4.281 1.134 1.377 1.00 0.00 C ATOM 759 CG2 ILE A 72 2.089 1.943 2.366 1.00 0.00 C ATOM 760 CD1 ILE A 72 4.838 2.014 0.256 1.00 0.00 C ATOM 0 H ILE A 72 3.536 -0.881 3.014 1.00 0.00 H new ATOM 0 HA ILE A 72 1.194 -0.353 1.245 1.00 0.00 H new ATOM 0 HB ILE A 72 2.457 1.446 0.333 1.00 0.00 H new ATOM 0 HG12 ILE A 72 4.586 1.534 2.344 1.00 0.00 H new ATOM 0 HG13 ILE A 72 4.701 0.131 1.300 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.450 2.966 2.265 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.008 1.925 2.228 1.00 0.00 H new ATOM 0 HG23 ILE A 72 2.334 1.568 3.360 1.00 0.00 H new ATOM 0 HD11 ILE A 72 5.925 2.050 0.328 1.00 0.00 H new ATOM 0 HD12 ILE A 72 4.552 1.598 -0.710 1.00 0.00 H new ATOM 0 HD13 ILE A 72 4.435 3.022 0.350 1.00 0.00 H new ATOM 772 N SER A 73 2.519 -1.040 -0.888 1.00 0.00 N ATOM 773 CA SER A 73 3.010 -1.841 -1.996 1.00 0.00 C ATOM 774 C SER A 73 4.484 -1.524 -2.259 1.00 0.00 C ATOM 775 O SER A 73 4.946 -0.421 -1.970 1.00 0.00 O ATOM 776 CB SER A 73 2.182 -1.600 -3.260 1.00 0.00 C ATOM 777 OG SER A 73 1.607 -2.804 -3.760 1.00 0.00 O ATOM 0 H SER A 73 1.905 -0.271 -1.156 1.00 0.00 H new ATOM 0 HA SER A 73 2.914 -2.893 -1.726 1.00 0.00 H new ATOM 0 HB2 SER A 73 1.390 -0.883 -3.043 1.00 0.00 H new ATOM 0 HB3 SER A 73 2.814 -1.154 -4.028 1.00 0.00 H new ATOM 0 HG SER A 73 1.085 -2.607 -4.566 1.00 0.00 H new ATOM 783 N GLU A 74 5.181 -2.510 -2.804 1.00 0.00 N ATOM 784 CA GLU A 74 6.592 -2.349 -3.109 1.00 0.00 C ATOM 785 C GLU A 74 6.797 -1.179 -4.073 1.00 0.00 C ATOM 786 O GLU A 74 7.534 -0.241 -3.769 1.00 0.00 O ATOM 787 CB GLU A 74 7.180 -3.641 -3.681 1.00 0.00 C ATOM 788 CG GLU A 74 8.018 -4.374 -2.631 1.00 0.00 C ATOM 789 CD GLU A 74 9.021 -5.321 -3.294 1.00 0.00 C ATOM 790 OE1 GLU A 74 9.159 -6.451 -2.780 1.00 0.00 O ATOM 791 OE2 GLU A 74 9.626 -4.892 -4.300 1.00 0.00 O ATOM 0 H GLU A 74 4.795 -3.423 -3.042 1.00 0.00 H new ATOM 0 HA GLU A 74 7.121 -2.127 -2.182 1.00 0.00 H new ATOM 0 HB2 GLU A 74 6.375 -4.290 -4.026 1.00 0.00 H new ATOM 0 HB3 GLU A 74 7.798 -3.411 -4.549 1.00 0.00 H new ATOM 0 HG2 GLU A 74 8.549 -3.649 -2.014 1.00 0.00 H new ATOM 0 HG3 GLU A 74 7.363 -4.939 -1.967 1.00 0.00 H new ATOM 798 N GLU A 75 6.133 -1.272 -5.216 1.00 0.00 N ATOM 799 CA GLU A 75 6.233 -0.233 -6.226 1.00 0.00 C ATOM 800 C GLU A 75 5.773 1.110 -5.654 1.00 0.00 C ATOM 801 O GLU A 75 6.357 2.150 -5.954 1.00 0.00 O ATOM 802 CB GLU A 75 5.429 -0.602 -7.474 1.00 0.00 C ATOM 803 CG GLU A 75 5.580 0.466 -8.559 1.00 0.00 C ATOM 804 CD GLU A 75 6.469 -0.033 -9.700 1.00 0.00 C ATOM 805 OE1 GLU A 75 6.119 0.263 -10.863 1.00 0.00 O ATOM 806 OE2 GLU A 75 7.478 -0.700 -9.384 1.00 0.00 O ATOM 0 H GLU A 75 5.524 -2.051 -5.465 1.00 0.00 H new ATOM 0 HA GLU A 75 7.278 -0.141 -6.522 1.00 0.00 H new ATOM 0 HB2 GLU A 75 5.767 -1.565 -7.857 1.00 0.00 H new ATOM 0 HB3 GLU A 75 4.377 -0.714 -7.213 1.00 0.00 H new ATOM 0 HG2 GLU A 75 4.598 0.735 -8.949 1.00 0.00 H new ATOM 0 HG3 GLU A 75 6.010 1.370 -8.127 1.00 0.00 H new ATOM 813 N ASP A 76 4.729 1.043 -4.841 1.00 0.00 N ATOM 814 CA ASP A 76 4.183 2.241 -4.225 1.00 0.00 C ATOM 815 C ASP A 76 5.206 2.816 -3.244 1.00 0.00 C ATOM 816 O ASP A 76 5.226 4.021 -2.998 1.00 0.00 O ATOM 817 CB ASP A 76 2.905 1.925 -3.445 1.00 0.00 C ATOM 818 CG ASP A 76 1.602 2.230 -4.186 1.00 0.00 C ATOM 819 OD1 ASP A 76 0.656 1.430 -4.024 1.00 0.00 O ATOM 820 OD2 ASP A 76 1.582 3.257 -4.899 1.00 0.00 O ATOM 0 H ASP A 76 4.247 0.179 -4.595 1.00 0.00 H new ATOM 0 HA ASP A 76 3.955 2.954 -5.017 1.00 0.00 H new ATOM 0 HB2 ASP A 76 2.913 0.869 -3.176 1.00 0.00 H new ATOM 0 HB3 ASP A 76 2.917 2.491 -2.514 1.00 0.00 H new ATOM 825 N ALA A 77 6.031 1.927 -2.710 1.00 0.00 N ATOM 826 CA ALA A 77 7.054 2.332 -1.761 1.00 0.00 C ATOM 827 C ALA A 77 8.194 3.025 -2.511 1.00 0.00 C ATOM 828 O ALA A 77 8.883 3.875 -1.951 1.00 0.00 O ATOM 829 CB ALA A 77 7.532 1.110 -0.974 1.00 0.00 C ATOM 0 H ALA A 77 6.012 0.928 -2.916 1.00 0.00 H new ATOM 0 HA ALA A 77 6.650 3.046 -1.043 1.00 0.00 H new ATOM 0 HB1 ALA A 77 8.300 1.413 -0.262 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.691 0.672 -0.436 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.946 0.373 -1.662 1.00 0.00 H new ATOM 835 N GLN A 78 8.356 2.635 -3.767 1.00 0.00 N ATOM 836 CA GLN A 78 9.400 3.208 -4.599 1.00 0.00 C ATOM 837 C GLN A 78 8.998 4.610 -5.064 1.00 0.00 C ATOM 838 O GLN A 78 9.814 5.530 -5.048 1.00 0.00 O ATOM 839 CB GLN A 78 9.708 2.302 -5.793 1.00 0.00 C ATOM 840 CG GLN A 78 11.141 2.515 -6.287 1.00 0.00 C ATOM 841 CD GLN A 78 11.160 2.870 -7.775 1.00 0.00 C ATOM 842 OE1 GLN A 78 10.694 2.126 -8.623 1.00 0.00 O ATOM 843 NE2 GLN A 78 11.724 4.044 -8.045 1.00 0.00 N ATOM 0 H GLN A 78 7.782 1.929 -4.228 1.00 0.00 H new ATOM 0 HA GLN A 78 10.309 3.290 -4.003 1.00 0.00 H new ATOM 0 HB2 GLN A 78 9.569 1.259 -5.508 1.00 0.00 H new ATOM 0 HB3 GLN A 78 9.006 2.508 -6.601 1.00 0.00 H new ATOM 0 HG2 GLN A 78 11.613 3.313 -5.713 1.00 0.00 H new ATOM 0 HG3 GLN A 78 11.726 1.611 -6.117 1.00 0.00 H new ATOM 0 HE21 GLN A 78 12.094 4.618 -7.288 1.00 0.00 H new ATOM 0 HE22 GLN A 78 11.786 4.370 -9.009 1.00 0.00 H new ATOM 852 N ARG A 79 7.742 4.728 -5.467 1.00 0.00 N ATOM 853 CA ARG A 79 7.223 6.001 -5.935 1.00 0.00 C ATOM 854 C ARG A 79 7.187 7.014 -4.789 1.00 0.00 C ATOM 855 O ARG A 79 7.333 8.215 -5.012 1.00 0.00 O ATOM 856 CB ARG A 79 5.814 5.844 -6.511 1.00 0.00 C ATOM 857 CG ARG A 79 5.800 6.136 -8.013 1.00 0.00 C ATOM 858 CD ARG A 79 4.407 6.571 -8.474 1.00 0.00 C ATOM 859 NE ARG A 79 4.418 6.844 -9.928 1.00 0.00 N ATOM 860 CZ ARG A 79 4.796 8.009 -10.471 1.00 0.00 C ATOM 861 NH1 ARG A 79 5.197 9.017 -9.684 1.00 0.00 N ATOM 862 NH2 ARG A 79 4.773 8.168 -11.802 1.00 0.00 N ATOM 0 H ARG A 79 7.068 3.962 -5.479 1.00 0.00 H new ATOM 0 HA ARG A 79 7.887 6.360 -6.721 1.00 0.00 H new ATOM 0 HB2 ARG A 79 5.454 4.831 -6.330 1.00 0.00 H new ATOM 0 HB3 ARG A 79 5.130 6.521 -5.999 1.00 0.00 H new ATOM 0 HG2 ARG A 79 6.524 6.918 -8.242 1.00 0.00 H new ATOM 0 HG3 ARG A 79 6.108 5.247 -8.563 1.00 0.00 H new ATOM 0 HD2 ARG A 79 3.680 5.791 -8.247 1.00 0.00 H new ATOM 0 HD3 ARG A 79 4.097 7.463 -7.930 1.00 0.00 H new ATOM 0 HE ARG A 79 4.119 6.098 -10.557 1.00 0.00 H new ATOM 0 HH11 ARG A 79 5.215 8.897 -8.671 1.00 0.00 H new ATOM 0 HH12 ARG A 79 5.485 9.904 -10.098 1.00 0.00 H new ATOM 0 HH21 ARG A 79 4.468 7.402 -12.402 1.00 0.00 H new ATOM 0 HH22 ARG A 79 5.061 9.055 -12.215 1.00 0.00 H new ATOM 876 N LEU A 80 6.992 6.492 -3.587 1.00 0.00 N ATOM 877 CA LEU A 80 6.935 7.336 -2.405 1.00 0.00 C ATOM 878 C LEU A 80 8.227 8.149 -2.302 1.00 0.00 C ATOM 879 O LEU A 80 8.188 9.352 -2.048 1.00 0.00 O ATOM 880 CB LEU A 80 6.636 6.496 -1.161 1.00 0.00 C ATOM 881 CG LEU A 80 5.221 6.620 -0.592 1.00 0.00 C ATOM 882 CD1 LEU A 80 5.001 5.627 0.550 1.00 0.00 C ATOM 883 CD2 LEU A 80 4.926 8.059 -0.166 1.00 0.00 C ATOM 0 H LEU A 80 6.871 5.495 -3.406 1.00 0.00 H new ATOM 0 HA LEU A 80 6.114 8.049 -2.485 1.00 0.00 H new ATOM 0 HB2 LEU A 80 6.819 5.449 -1.402 1.00 0.00 H new ATOM 0 HB3 LEU A 80 7.345 6.773 -0.381 1.00 0.00 H new ATOM 0 HG LEU A 80 4.512 6.366 -1.380 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.988 5.736 0.937 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.141 4.611 0.181 1.00 0.00 H new ATOM 0 HD13 LEU A 80 5.717 5.825 1.348 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.914 8.120 0.235 1.00 0.00 H new ATOM 0 HD22 LEU A 80 5.639 8.365 0.600 1.00 0.00 H new ATOM 0 HD23 LEU A 80 5.015 8.719 -1.029 1.00 0.00 H new ATOM 895 N VAL A 81 9.340 7.460 -2.504 1.00 0.00 N ATOM 896 CA VAL A 81 10.641 8.104 -2.437 1.00 0.00 C ATOM 897 C VAL A 81 10.800 9.049 -3.630 1.00 0.00 C ATOM 898 O VAL A 81 11.197 10.201 -3.465 1.00 0.00 O ATOM 899 CB VAL A 81 11.744 7.047 -2.361 1.00 0.00 C ATOM 900 CG1 VAL A 81 13.105 7.647 -2.721 1.00 0.00 C ATOM 901 CG2 VAL A 81 11.782 6.392 -0.979 1.00 0.00 C ATOM 0 H VAL A 81 9.368 6.462 -2.714 1.00 0.00 H new ATOM 0 HA VAL A 81 10.723 8.706 -1.532 1.00 0.00 H new ATOM 0 HB VAL A 81 11.516 6.272 -3.093 1.00 0.00 H new ATOM 0 HG11 VAL A 81 13.871 6.874 -2.659 1.00 0.00 H new ATOM 0 HG12 VAL A 81 13.071 8.044 -3.736 1.00 0.00 H new ATOM 0 HG13 VAL A 81 13.344 8.451 -2.025 1.00 0.00 H new ATOM 0 HG21 VAL A 81 12.575 5.645 -0.952 1.00 0.00 H new ATOM 0 HG22 VAL A 81 11.974 7.152 -0.221 1.00 0.00 H new ATOM 0 HG23 VAL A 81 10.824 5.912 -0.777 1.00 0.00 H new ATOM 911 N VAL A 82 10.481 8.526 -4.805 1.00 0.00 N ATOM 912 CA VAL A 82 10.583 9.308 -6.025 1.00 0.00 C ATOM 913 C VAL A 82 9.825 10.625 -5.846 1.00 0.00 C ATOM 914 O VAL A 82 10.257 11.666 -6.339 1.00 0.00 O ATOM 915 CB VAL A 82 10.083 8.488 -7.216 1.00 0.00 C ATOM 916 CG1 VAL A 82 9.959 9.360 -8.468 1.00 0.00 C ATOM 917 CG2 VAL A 82 10.993 7.285 -7.474 1.00 0.00 C ATOM 0 H VAL A 82 10.152 7.570 -4.938 1.00 0.00 H new ATOM 0 HA VAL A 82 11.624 9.557 -6.233 1.00 0.00 H new ATOM 0 HB VAL A 82 9.090 8.111 -6.970 1.00 0.00 H new ATOM 0 HG11 VAL A 82 9.602 8.753 -9.300 1.00 0.00 H new ATOM 0 HG12 VAL A 82 9.253 10.169 -8.280 1.00 0.00 H new ATOM 0 HG13 VAL A 82 10.934 9.780 -8.717 1.00 0.00 H new ATOM 0 HG21 VAL A 82 10.615 6.719 -8.326 1.00 0.00 H new ATOM 0 HG22 VAL A 82 12.004 7.633 -7.689 1.00 0.00 H new ATOM 0 HG23 VAL A 82 11.009 6.645 -6.592 1.00 0.00 H new ATOM 927 N ALA A 83 8.708 10.537 -5.139 1.00 0.00 N ATOM 928 CA ALA A 83 7.886 11.709 -4.888 1.00 0.00 C ATOM 929 C ALA A 83 8.685 12.719 -4.063 1.00 0.00 C ATOM 930 O ALA A 83 8.391 13.914 -4.085 1.00 0.00 O ATOM 931 CB ALA A 83 6.590 11.284 -4.196 1.00 0.00 C ATOM 0 H ALA A 83 8.353 9.672 -4.732 1.00 0.00 H new ATOM 0 HA ALA A 83 7.611 12.194 -5.825 1.00 0.00 H new ATOM 0 HB1 ALA A 83 5.973 12.163 -4.007 1.00 0.00 H new ATOM 0 HB2 ALA A 83 6.046 10.590 -4.837 1.00 0.00 H new ATOM 0 HB3 ALA A 83 6.826 10.796 -3.250 1.00 0.00 H new ATOM 937 N GLY A 84 9.678 12.204 -3.354 1.00 0.00 N ATOM 938 CA GLY A 84 10.521 13.046 -2.523 1.00 0.00 C ATOM 939 C GLY A 84 10.549 12.540 -1.080 1.00 0.00 C ATOM 940 O GLY A 84 11.170 13.155 -0.214 1.00 0.00 O ATOM 0 H GLY A 84 9.918 11.213 -3.338 1.00 0.00 H new ATOM 0 HA2 GLY A 84 11.534 13.063 -2.926 1.00 0.00 H new ATOM 0 HA3 GLY A 84 10.152 14.071 -2.545 1.00 0.00 H new ATOM 944 N ALA A 85 9.868 11.424 -0.864 1.00 0.00 N ATOM 945 CA ALA A 85 9.806 10.828 0.459 1.00 0.00 C ATOM 946 C ALA A 85 11.194 10.314 0.847 1.00 0.00 C ATOM 947 O ALA A 85 12.019 10.028 -0.020 1.00 0.00 O ATOM 948 CB ALA A 85 8.750 9.722 0.473 1.00 0.00 C ATOM 0 H ALA A 85 9.354 10.917 -1.584 1.00 0.00 H new ATOM 0 HA ALA A 85 9.509 11.570 1.200 1.00 0.00 H new ATOM 0 HB1 ALA A 85 8.704 9.275 1.466 1.00 0.00 H new ATOM 0 HB2 ALA A 85 7.778 10.144 0.220 1.00 0.00 H new ATOM 0 HB3 ALA A 85 9.015 8.957 -0.257 1.00 0.00 H new ATOM 954 N GLU A 86 11.409 10.212 2.150 1.00 0.00 N ATOM 955 CA GLU A 86 12.683 9.737 2.664 1.00 0.00 C ATOM 956 C GLU A 86 12.877 8.259 2.317 1.00 0.00 C ATOM 957 O GLU A 86 11.919 7.489 2.308 1.00 0.00 O ATOM 958 CB GLU A 86 12.785 9.964 4.173 1.00 0.00 C ATOM 959 CG GLU A 86 14.041 10.764 4.524 1.00 0.00 C ATOM 960 CD GLU A 86 14.007 12.150 3.876 1.00 0.00 C ATOM 961 OE1 GLU A 86 14.559 12.269 2.761 1.00 0.00 O ATOM 962 OE2 GLU A 86 13.429 13.059 4.510 1.00 0.00 O ATOM 0 H GLU A 86 10.722 10.450 2.866 1.00 0.00 H new ATOM 0 HA GLU A 86 13.480 10.309 2.190 1.00 0.00 H new ATOM 0 HB2 GLU A 86 11.901 10.496 4.525 1.00 0.00 H new ATOM 0 HB3 GLU A 86 12.806 9.004 4.688 1.00 0.00 H new ATOM 0 HG2 GLU A 86 14.121 10.866 5.606 1.00 0.00 H new ATOM 0 HG3 GLU A 86 14.926 10.224 4.189 1.00 0.00 H new ATOM 969 N ASP A 87 14.125 7.908 2.040 1.00 0.00 N ATOM 970 CA ASP A 87 14.457 6.537 1.694 1.00 0.00 C ATOM 971 C ASP A 87 15.392 5.959 2.758 1.00 0.00 C ATOM 972 O ASP A 87 16.549 6.364 2.860 1.00 0.00 O ATOM 973 CB ASP A 87 15.176 6.468 0.345 1.00 0.00 C ATOM 974 CG ASP A 87 14.745 5.312 -0.559 1.00 0.00 C ATOM 975 OD1 ASP A 87 13.914 4.504 -0.091 1.00 0.00 O ATOM 976 OD2 ASP A 87 15.256 5.262 -1.699 1.00 0.00 O ATOM 0 H ASP A 87 14.918 8.550 2.048 1.00 0.00 H new ATOM 0 HA ASP A 87 13.528 5.969 1.637 1.00 0.00 H new ATOM 0 HB2 ASP A 87 15.011 7.406 -0.186 1.00 0.00 H new ATOM 0 HB3 ASP A 87 16.248 6.388 0.525 1.00 0.00 H new ATOM 981 N GLN A 88 14.855 5.021 3.525 1.00 0.00 N ATOM 982 CA GLN A 88 15.627 4.383 4.578 1.00 0.00 C ATOM 983 C GLN A 88 15.663 2.868 4.366 1.00 0.00 C ATOM 984 O GLN A 88 16.422 2.163 5.029 1.00 0.00 O ATOM 985 CB GLN A 88 15.064 4.730 5.958 1.00 0.00 C ATOM 986 CG GLN A 88 14.738 6.222 6.057 1.00 0.00 C ATOM 987 CD GLN A 88 15.947 7.074 5.665 1.00 0.00 C ATOM 988 OE1 GLN A 88 15.633 8.294 5.239 1.00 0.00 O flip ATOM 989 NE2 GLN A 88 17.089 6.652 5.744 1.00 0.00 N flip ATOM 0 H GLN A 88 13.895 4.688 3.438 1.00 0.00 H new ATOM 0 HA GLN A 88 16.648 4.761 4.533 1.00 0.00 H new ATOM 0 HB2 GLN A 88 14.164 4.144 6.146 1.00 0.00 H new ATOM 0 HB3 GLN A 88 15.787 4.460 6.728 1.00 0.00 H new ATOM 0 HG2 GLN A 88 13.896 6.458 5.406 1.00 0.00 H new ATOM 0 HG3 GLN A 88 14.432 6.464 7.075 1.00 0.00 H new ATOM 0 HE21 GLN A 88 17.260 5.704 6.080 1.00 0.00 H new ATOM 0 HE22 GLN A 88 17.872 7.247 5.474 1.00 0.00 H new ATOM 998 N ARG A 89 14.833 2.412 3.440 1.00 0.00 N ATOM 999 CA ARG A 89 14.760 0.994 3.132 1.00 0.00 C ATOM 1000 C ARG A 89 15.974 0.567 2.304 1.00 0.00 C ATOM 1001 O ARG A 89 16.600 -0.451 2.593 1.00 0.00 O ATOM 1002 CB ARG A 89 13.482 0.662 2.359 1.00 0.00 C ATOM 1003 CG ARG A 89 12.568 -0.251 3.178 1.00 0.00 C ATOM 1004 CD ARG A 89 12.943 -1.721 2.981 1.00 0.00 C ATOM 1005 NE ARG A 89 12.843 -2.082 1.549 1.00 0.00 N ATOM 1006 CZ ARG A 89 13.346 -3.206 1.021 1.00 0.00 C ATOM 1007 NH1 ARG A 89 13.988 -4.085 1.802 1.00 0.00 N ATOM 1008 NH2 ARG A 89 13.208 -3.451 -0.289 1.00 0.00 N ATOM 0 H ARG A 89 14.205 3.000 2.892 1.00 0.00 H new ATOM 0 HA ARG A 89 14.751 0.450 4.077 1.00 0.00 H new ATOM 0 HB2 ARG A 89 12.954 1.582 2.110 1.00 0.00 H new ATOM 0 HB3 ARG A 89 13.738 0.176 1.417 1.00 0.00 H new ATOM 0 HG2 ARG A 89 12.641 0.008 4.234 1.00 0.00 H new ATOM 0 HG3 ARG A 89 11.531 -0.094 2.882 1.00 0.00 H new ATOM 0 HD2 ARG A 89 13.957 -1.897 3.339 1.00 0.00 H new ATOM 0 HD3 ARG A 89 12.282 -2.356 3.571 1.00 0.00 H new ATOM 0 HE ARG A 89 12.361 -1.435 0.925 1.00 0.00 H new ATOM 0 HH11 ARG A 89 14.094 -3.899 2.799 1.00 0.00 H new ATOM 0 HH12 ARG A 89 14.371 -4.941 1.399 1.00 0.00 H new ATOM 0 HH21 ARG A 89 12.720 -2.782 -0.884 1.00 0.00 H new ATOM 0 HH22 ARG A 89 13.591 -4.307 -0.691 1.00 0.00 H new ATOM 1022 N ARG A 90 16.270 1.368 1.291 1.00 0.00 N ATOM 1023 CA ARG A 90 17.398 1.087 0.419 1.00 0.00 C ATOM 1024 C ARG A 90 17.930 2.383 -0.196 1.00 0.00 C ATOM 1025 O ARG A 90 17.424 3.466 0.095 1.00 0.00 O ATOM 1026 CB ARG A 90 17.000 0.124 -0.702 1.00 0.00 C ATOM 1027 CG ARG A 90 17.098 -1.330 -0.237 1.00 0.00 C ATOM 1028 CD ARG A 90 18.530 -1.679 0.174 1.00 0.00 C ATOM 1029 NE ARG A 90 18.679 -1.559 1.642 1.00 0.00 N ATOM 1030 CZ ARG A 90 19.706 -2.067 2.337 1.00 0.00 C ATOM 1031 NH1 ARG A 90 20.680 -2.733 1.702 1.00 0.00 N ATOM 1032 NH2 ARG A 90 19.759 -1.909 3.666 1.00 0.00 N ATOM 0 H ARG A 90 15.748 2.212 1.055 1.00 0.00 H new ATOM 0 HA ARG A 90 18.177 0.622 1.023 1.00 0.00 H new ATOM 0 HB2 ARG A 90 15.981 0.338 -1.025 1.00 0.00 H new ATOM 0 HB3 ARG A 90 17.648 0.278 -1.565 1.00 0.00 H new ATOM 0 HG2 ARG A 90 16.425 -1.493 0.604 1.00 0.00 H new ATOM 0 HG3 ARG A 90 16.774 -1.994 -1.038 1.00 0.00 H new ATOM 0 HD2 ARG A 90 18.771 -2.694 -0.142 1.00 0.00 H new ATOM 0 HD3 ARG A 90 19.233 -1.014 -0.327 1.00 0.00 H new ATOM 0 HE ARG A 90 17.955 -1.058 2.157 1.00 0.00 H new ATOM 0 HH11 ARG A 90 20.640 -2.853 0.690 1.00 0.00 H new ATOM 0 HH12 ARG A 90 21.462 -3.120 2.231 1.00 0.00 H new ATOM 0 HH21 ARG A 90 19.018 -1.402 4.149 1.00 0.00 H new ATOM 0 HH22 ARG A 90 20.541 -2.296 4.195 1.00 0.00 H new ATOM 1046 N HIS A 91 18.944 2.230 -1.034 1.00 0.00 N ATOM 1047 CA HIS A 91 19.551 3.375 -1.692 1.00 0.00 C ATOM 1048 C HIS A 91 18.649 3.848 -2.833 1.00 0.00 C ATOM 1049 O HIS A 91 18.317 3.073 -3.729 1.00 0.00 O ATOM 1050 CB HIS A 91 20.971 3.045 -2.156 1.00 0.00 C ATOM 1051 CG HIS A 91 21.829 4.260 -2.417 1.00 0.00 C ATOM 1052 ND1 HIS A 91 22.097 5.211 -1.448 1.00 0.00 N ATOM 1053 CD2 HIS A 91 22.477 4.667 -3.546 1.00 0.00 C ATOM 1054 CE1 HIS A 91 22.871 6.145 -1.981 1.00 0.00 C ATOM 1055 NE2 HIS A 91 23.105 5.806 -3.281 1.00 0.00 N ATOM 0 H HIS A 91 19.361 1.330 -1.273 1.00 0.00 H new ATOM 0 HA HIS A 91 19.645 4.199 -0.984 1.00 0.00 H new ATOM 0 HB2 HIS A 91 21.455 2.427 -1.400 1.00 0.00 H new ATOM 0 HB3 HIS A 91 20.915 2.449 -3.067 1.00 0.00 H new ATOM 0 HD2 HIS A 91 22.479 4.150 -4.494 1.00 0.00 H new ATOM 0 HE1 HIS A 91 23.250 7.021 -1.475 1.00 0.00 H new ATOM 0 HE2 HIS A 91 23.670 6.340 -3.941 1.00 0.00 H new ATOM 1063 N LEU A 92 18.277 5.118 -2.764 1.00 0.00 N ATOM 1064 CA LEU A 92 17.420 5.703 -3.780 1.00 0.00 C ATOM 1065 C LEU A 92 17.862 5.211 -5.160 1.00 0.00 C ATOM 1066 O LEU A 92 18.884 5.653 -5.683 1.00 0.00 O ATOM 1067 CB LEU A 92 17.398 7.228 -3.650 1.00 0.00 C ATOM 1068 CG LEU A 92 16.032 7.896 -3.820 1.00 0.00 C ATOM 1069 CD1 LEU A 92 15.832 9.006 -2.787 1.00 0.00 C ATOM 1070 CD2 LEU A 92 15.846 8.405 -5.251 1.00 0.00 C ATOM 0 H LEU A 92 18.554 5.758 -2.020 1.00 0.00 H new ATOM 0 HA LEU A 92 16.389 5.379 -3.640 1.00 0.00 H new ATOM 0 HB2 LEU A 92 17.791 7.495 -2.669 1.00 0.00 H new ATOM 0 HB3 LEU A 92 18.079 7.646 -4.391 1.00 0.00 H new ATOM 0 HG LEU A 92 15.261 7.147 -3.641 1.00 0.00 H new ATOM 0 HD11 LEU A 92 14.853 9.464 -2.930 1.00 0.00 H new ATOM 0 HD12 LEU A 92 15.892 8.584 -1.784 1.00 0.00 H new ATOM 0 HD13 LEU A 92 16.608 9.762 -2.910 1.00 0.00 H new ATOM 0 HD21 LEU A 92 14.867 8.875 -5.346 1.00 0.00 H new ATOM 0 HD22 LEU A 92 16.623 9.134 -5.482 1.00 0.00 H new ATOM 0 HD23 LEU A 92 15.915 7.569 -5.947 1.00 0.00 H new ATOM 1082 N MET A 93 17.070 4.302 -5.710 1.00 0.00 N ATOM 1083 CA MET A 93 17.367 3.745 -7.019 1.00 0.00 C ATOM 1084 C MET A 93 16.447 4.337 -8.088 1.00 0.00 C ATOM 1085 O MET A 93 15.566 5.138 -7.780 1.00 0.00 O ATOM 1086 CB MET A 93 17.191 2.225 -6.979 1.00 0.00 C ATOM 1087 CG MET A 93 15.735 1.849 -6.695 1.00 0.00 C ATOM 1088 SD MET A 93 15.661 0.653 -5.372 1.00 0.00 S ATOM 1089 CE MET A 93 14.022 -0.003 -5.639 1.00 0.00 C ATOM 0 H MET A 93 16.223 3.938 -5.273 1.00 0.00 H new ATOM 0 HA MET A 93 18.397 3.994 -7.274 1.00 0.00 H new ATOM 0 HB2 MET A 93 17.503 1.794 -7.930 1.00 0.00 H new ATOM 0 HB3 MET A 93 17.837 1.801 -6.210 1.00 0.00 H new ATOM 0 HG2 MET A 93 15.167 2.739 -6.424 1.00 0.00 H new ATOM 0 HG3 MET A 93 15.275 1.438 -7.594 1.00 0.00 H new ATOM 0 HE1 MET A 93 13.333 0.433 -4.915 1.00 0.00 H new ATOM 0 HE2 MET A 93 13.691 0.243 -6.648 1.00 0.00 H new ATOM 0 HE3 MET A 93 14.039 -1.086 -5.517 1.00 0.00 H new ATOM 1099 N ALA A 94 16.683 3.920 -9.323 1.00 0.00 N ATOM 1100 CA ALA A 94 15.887 4.399 -10.440 1.00 0.00 C ATOM 1101 C ALA A 94 15.653 3.250 -11.424 1.00 0.00 C ATOM 1102 O ALA A 94 14.513 2.853 -11.659 1.00 0.00 O ATOM 1103 CB ALA A 94 16.589 5.591 -11.093 1.00 0.00 C ATOM 0 H ALA A 94 17.415 3.255 -9.575 1.00 0.00 H new ATOM 0 HA ALA A 94 14.911 4.743 -10.096 1.00 0.00 H new ATOM 0 HB1 ALA A 94 15.992 5.950 -11.931 1.00 0.00 H new ATOM 0 HB2 ALA A 94 16.705 6.390 -10.361 1.00 0.00 H new ATOM 0 HB3 ALA A 94 17.571 5.283 -11.453 1.00 0.00 H new ATOM 1109 N ASP A 95 16.750 2.749 -11.972 1.00 0.00 N ATOM 1110 CA ASP A 95 16.678 1.655 -12.924 1.00 0.00 C ATOM 1111 C ASP A 95 17.720 0.596 -12.557 1.00 0.00 C ATOM 1112 O ASP A 95 18.606 0.848 -11.742 1.00 0.00 O ATOM 1113 CB ASP A 95 16.977 2.140 -14.344 1.00 0.00 C ATOM 1114 CG ASP A 95 15.815 2.849 -15.043 1.00 0.00 C ATOM 1115 OD1 ASP A 95 15.660 2.620 -16.262 1.00 0.00 O ATOM 1116 OD2 ASP A 95 15.109 3.606 -14.342 1.00 0.00 O ATOM 0 H ASP A 95 17.694 3.081 -11.774 1.00 0.00 H new ATOM 0 HA ASP A 95 15.670 1.243 -12.888 1.00 0.00 H new ATOM 0 HB2 ASP A 95 17.829 2.819 -14.308 1.00 0.00 H new ATOM 0 HB3 ASP A 95 17.277 1.284 -14.949 1.00 0.00 H new ATOM 1121 N ASP A 96 17.580 -0.567 -13.177 1.00 0.00 N ATOM 1122 CA ASP A 96 18.498 -1.664 -12.926 1.00 0.00 C ATOM 1123 C ASP A 96 19.096 -2.137 -14.253 1.00 0.00 C ATOM 1124 O ASP A 96 18.365 -2.495 -15.175 1.00 0.00 O ATOM 1125 CB ASP A 96 17.776 -2.851 -12.284 1.00 0.00 C ATOM 1126 CG ASP A 96 17.373 -2.649 -10.822 1.00 0.00 C ATOM 1127 OD1 ASP A 96 18.293 -2.647 -9.976 1.00 0.00 O ATOM 1128 OD2 ASP A 96 16.155 -2.500 -10.584 1.00 0.00 O ATOM 0 H ASP A 96 16.844 -0.773 -13.853 1.00 0.00 H new ATOM 0 HA ASP A 96 19.275 -1.305 -12.250 1.00 0.00 H new ATOM 0 HB2 ASP A 96 16.880 -3.070 -12.865 1.00 0.00 H new ATOM 0 HB3 ASP A 96 18.420 -3.728 -12.350 1.00 0.00 H new TER 1133 ASP A 96