USER MOD reduce.3.24.130724 H: found=0, std=0, add=806, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 807 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 83 ASN : amide:sc= -1.31! C(o=-0.98!,f=-1.8!) USER MOD Set 1.2: A 96 THR OG1 : rot 180:sc= 0.331 USER MOD Set 2.1: A 73 SER OG : rot 109:sc= -0.68! USER MOD Set 2.2: A 82 HIS : no HE2:sc= -0.94! K(o=-1.6!,f=-4.7) USER MOD Set 3.1: A 30 SER OG : rot 37:sc= 0.85 USER MOD Set 3.2: A 46 LYS NZ :NH3+ -117:sc= 0.984 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0.111 USER MOD Single : A 17 ASN :FLIP amide:sc= 0.0893 F(o=-0.8,f=0.089) USER MOD Single : A 19 GLN : amide:sc= -0.0248 X(o=-0.025,f=0) USER MOD Single : A 29 SER OG : rot 101:sc= -0.288 USER MOD Single : A 32 THR OG1 : rot 173:sc= -1.12 USER MOD Single : A 33 TYR OH : rot 122:sc= -2! USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN :FLIP amide:sc= -0.395 F(o=-2.1,f=-0.39) USER MOD Single : A 37 SER OG : rot 44:sc= 0.0142 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 HIS :FLIP no HD1:sc= -8.33! C(o=-9.3!,f=-8.3!) USER MOD Single : A 45 SER OG : rot -57:sc= 0.312 USER MOD Single : A 47 SER OG : rot -23:sc= -4.82 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot -66:sc= 1.05 USER MOD Single : A 56 SER OG : rot 180:sc= -0.306 USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -1.09 K(o=-1.1,f=-2.6!) USER MOD Single : A 68 SER OG : rot 33:sc= 0.651 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc=-0.000908 X(o=-0.00091,f=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0.112 USER MOD Single : A 89 TYR OH : rot -140:sc= -0.497 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 76:sc= 1.88 USER MOD Single : A 97 TYR OH : rot -122:sc= -4.81! USER MOD Single : A 98 SER OG : rot 8:sc= 0.365 USER MOD Single : A 100 ASN : amide:sc= -5.84! C(o=-5.8!,f=-7.4!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 108 ASN :FLIP amide:sc= 0.693 F(o=-1.3,f=0.69) USER MOD Single : A 109 SER OG : rot 167:sc= -6.14! USER MOD Single : A 114 SER OG : rot 180:sc= -0.055 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 123 THR OG1 : rot 180:sc= -0.9 USER MOD Single : A 125 GLN :FLIP amide:sc= -0.665 F(o=-1.7!,f=-0.67) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 7 33.430 -5.446 0.050 1.00 0.00 N ATOM 2 CA ARG A 7 32.881 -4.653 -1.044 1.00 0.00 C ATOM 3 C ARG A 7 31.372 -4.490 -0.897 1.00 0.00 C ATOM 4 O ARG A 7 30.632 -4.560 -1.879 1.00 0.00 O ATOM 5 CB ARG A 7 33.208 -5.308 -2.388 1.00 0.00 C ATOM 6 CG ARG A 7 34.688 -5.598 -2.579 1.00 0.00 C ATOM 7 CD ARG A 7 35.126 -5.338 -4.012 1.00 0.00 C ATOM 8 NE ARG A 7 36.541 -4.987 -4.098 1.00 0.00 N ATOM 9 CZ ARG A 7 37.253 -5.073 -5.216 1.00 0.00 C ATOM 10 NH1 ARG A 7 36.685 -5.499 -6.336 1.00 0.00 N ATOM 11 NH2 ARG A 7 38.536 -4.734 -5.216 1.00 0.00 N ATOM 0 HA ARG A 7 33.338 -3.664 -1.008 1.00 0.00 H new ATOM 0 HB2 ARG A 7 32.650 -6.240 -2.474 1.00 0.00 H new ATOM 0 HB3 ARG A 7 32.867 -4.657 -3.193 1.00 0.00 H new ATOM 0 HG2 ARG A 7 35.272 -4.977 -1.900 1.00 0.00 H new ATOM 0 HG3 ARG A 7 34.893 -6.636 -2.317 1.00 0.00 H new ATOM 0 HD2 ARG A 7 34.936 -6.225 -4.616 1.00 0.00 H new ATOM 0 HD3 ARG A 7 34.526 -4.531 -4.433 1.00 0.00 H new ATOM 0 HE ARG A 7 37.008 -4.658 -3.253 1.00 0.00 H new ATOM 0 HH11 ARG A 7 35.699 -5.761 -6.340 1.00 0.00 H new ATOM 0 HH12 ARG A 7 37.234 -5.564 -7.193 1.00 0.00 H new ATOM 0 HH21 ARG A 7 38.977 -4.407 -4.356 1.00 0.00 H new ATOM 0 HH22 ARG A 7 39.081 -4.801 -6.076 1.00 0.00 H new ATOM 25 N ARG A 8 30.922 -4.269 0.334 1.00 0.00 N ATOM 26 CA ARG A 8 29.501 -4.092 0.608 1.00 0.00 C ATOM 27 C ARG A 8 29.101 -2.626 0.487 1.00 0.00 C ATOM 28 O ARG A 8 29.954 -1.743 0.398 1.00 0.00 O ATOM 29 CB ARG A 8 29.163 -4.609 2.009 1.00 0.00 C ATOM 30 CG ARG A 8 29.240 -6.122 2.134 1.00 0.00 C ATOM 31 CD ARG A 8 28.861 -6.585 3.532 1.00 0.00 C ATOM 32 NE ARG A 8 29.644 -5.910 4.563 1.00 0.00 N ATOM 33 CZ ARG A 8 29.451 -6.084 5.867 1.00 0.00 C ATOM 34 NH1 ARG A 8 28.504 -6.908 6.296 1.00 0.00 N ATOM 35 NH2 ARG A 8 30.204 -5.434 6.744 1.00 0.00 N ATOM 0 H ARG A 8 31.521 -4.208 1.157 1.00 0.00 H new ATOM 0 HA ARG A 8 28.941 -4.665 -0.131 1.00 0.00 H new ATOM 0 HB2 ARG A 8 29.847 -4.158 2.728 1.00 0.00 H new ATOM 0 HB3 ARG A 8 28.158 -4.281 2.276 1.00 0.00 H new ATOM 0 HG2 ARG A 8 28.575 -6.583 1.404 1.00 0.00 H new ATOM 0 HG3 ARG A 8 30.251 -6.457 1.900 1.00 0.00 H new ATOM 0 HD2 ARG A 8 27.801 -6.397 3.701 1.00 0.00 H new ATOM 0 HD3 ARG A 8 29.010 -7.662 3.610 1.00 0.00 H new ATOM 0 HE ARG A 8 30.380 -5.269 4.266 1.00 0.00 H new ATOM 0 HH11 ARG A 8 27.922 -7.410 5.625 1.00 0.00 H new ATOM 0 HH12 ARG A 8 28.358 -7.040 7.297 1.00 0.00 H new ATOM 0 HH21 ARG A 8 30.933 -4.799 6.419 1.00 0.00 H new ATOM 0 HH22 ARG A 8 30.054 -5.569 7.744 1.00 0.00 H new ATOM 49 N CYS A 9 27.797 -2.376 0.482 1.00 0.00 N ATOM 50 CA CYS A 9 27.278 -1.021 0.375 1.00 0.00 C ATOM 51 C CYS A 9 27.046 -0.418 1.757 1.00 0.00 C ATOM 52 O CYS A 9 26.937 -1.140 2.748 1.00 0.00 O ATOM 53 CB CYS A 9 25.974 -1.017 -0.423 1.00 0.00 C ATOM 54 SG CYS A 9 26.203 -1.184 -2.223 1.00 0.00 S ATOM 0 H CYS A 9 27.079 -3.097 0.551 1.00 0.00 H new ATOM 0 HA CYS A 9 28.017 -0.413 -0.147 1.00 0.00 H new ATOM 0 HB2 CYS A 9 25.342 -1.833 -0.071 1.00 0.00 H new ATOM 0 HB3 CYS A 9 25.439 -0.089 -0.220 1.00 0.00 H new ATOM 59 N PRO A 10 26.973 0.920 1.842 1.00 0.00 N ATOM 60 CA PRO A 10 26.760 1.617 3.112 1.00 0.00 C ATOM 61 C PRO A 10 25.381 1.337 3.697 1.00 0.00 C ATOM 62 O PRO A 10 24.549 0.686 3.065 1.00 0.00 O ATOM 63 CB PRO A 10 26.904 3.095 2.748 1.00 0.00 C ATOM 64 CG PRO A 10 26.622 3.159 1.288 1.00 0.00 C ATOM 65 CD PRO A 10 27.094 1.855 0.711 1.00 0.00 C ATOM 0 HA PRO A 10 27.465 1.292 3.877 1.00 0.00 H new ATOM 0 HB2 PRO A 10 26.204 3.711 3.313 1.00 0.00 H new ATOM 0 HB3 PRO A 10 27.905 3.462 2.973 1.00 0.00 H new ATOM 0 HG2 PRO A 10 25.558 3.303 1.103 1.00 0.00 H new ATOM 0 HG3 PRO A 10 27.142 3.999 0.828 1.00 0.00 H new ATOM 0 HD2 PRO A 10 26.481 1.544 -0.135 1.00 0.00 H new ATOM 0 HD3 PRO A 10 28.121 1.922 0.353 1.00 0.00 H new ATOM 73 N SER A 11 25.148 1.826 4.909 1.00 0.00 N ATOM 74 CA SER A 11 23.875 1.619 5.584 1.00 0.00 C ATOM 75 C SER A 11 22.702 1.967 4.667 1.00 0.00 C ATOM 76 O SER A 11 22.455 3.141 4.390 1.00 0.00 O ATOM 77 CB SER A 11 23.814 2.472 6.852 1.00 0.00 C ATOM 78 OG SER A 11 24.850 3.438 6.868 1.00 0.00 O ATOM 0 H SER A 11 25.826 2.369 5.444 1.00 0.00 H new ATOM 0 HA SER A 11 23.798 0.565 5.850 1.00 0.00 H new ATOM 0 HB2 SER A 11 22.847 2.971 6.912 1.00 0.00 H new ATOM 0 HB3 SER A 11 23.897 1.831 7.730 1.00 0.00 H new ATOM 0 HG SER A 11 24.788 3.971 7.688 1.00 0.00 H new ATOM 84 N PRO A 12 21.960 0.955 4.175 1.00 0.00 N ATOM 85 CA PRO A 12 20.812 1.183 3.293 1.00 0.00 C ATOM 86 C PRO A 12 19.825 2.179 3.893 1.00 0.00 C ATOM 87 O PRO A 12 19.769 2.356 5.110 1.00 0.00 O ATOM 88 CB PRO A 12 20.166 -0.200 3.144 1.00 0.00 C ATOM 89 CG PRO A 12 20.804 -1.056 4.184 1.00 0.00 C ATOM 90 CD PRO A 12 22.162 -0.475 4.443 1.00 0.00 C ATOM 0 HA PRO A 12 21.115 1.613 2.338 1.00 0.00 H new ATOM 0 HB2 PRO A 12 19.087 -0.146 3.289 1.00 0.00 H new ATOM 0 HB3 PRO A 12 20.334 -0.605 2.146 1.00 0.00 H new ATOM 0 HG2 PRO A 12 20.207 -1.067 5.096 1.00 0.00 H new ATOM 0 HG3 PRO A 12 20.883 -2.088 3.842 1.00 0.00 H new ATOM 0 HD2 PRO A 12 22.489 -0.652 5.467 1.00 0.00 H new ATOM 0 HD3 PRO A 12 22.918 -0.907 3.788 1.00 0.00 H new ATOM 98 N ARG A 13 19.060 2.840 3.031 1.00 0.00 N ATOM 99 CA ARG A 13 18.095 3.838 3.474 1.00 0.00 C ATOM 100 C ARG A 13 16.816 3.191 3.977 1.00 0.00 C ATOM 101 O ARG A 13 16.548 2.018 3.716 1.00 0.00 O ATOM 102 CB ARG A 13 17.771 4.801 2.331 1.00 0.00 C ATOM 103 CG ARG A 13 18.666 6.027 2.293 1.00 0.00 C ATOM 104 CD ARG A 13 17.963 7.204 1.639 1.00 0.00 C ATOM 105 NE ARG A 13 18.907 8.209 1.158 1.00 0.00 N ATOM 106 CZ ARG A 13 18.556 9.254 0.415 1.00 0.00 C ATOM 107 NH1 ARG A 13 17.287 9.429 0.070 1.00 0.00 N ATOM 108 NH2 ARG A 13 19.474 10.124 0.016 1.00 0.00 N ATOM 0 H ARG A 13 19.090 2.702 2.021 1.00 0.00 H new ATOM 0 HA ARG A 13 18.544 4.390 4.300 1.00 0.00 H new ATOM 0 HB2 ARG A 13 17.858 4.269 1.384 1.00 0.00 H new ATOM 0 HB3 ARG A 13 16.733 5.122 2.422 1.00 0.00 H new ATOM 0 HG2 ARG A 13 18.962 6.295 3.307 1.00 0.00 H new ATOM 0 HG3 ARG A 13 19.579 5.796 1.745 1.00 0.00 H new ATOM 0 HD2 ARG A 13 17.358 6.847 0.805 1.00 0.00 H new ATOM 0 HD3 ARG A 13 17.280 7.662 2.355 1.00 0.00 H new ATOM 0 HE ARG A 13 19.891 8.103 1.406 1.00 0.00 H new ATOM 0 HH11 ARG A 13 16.579 8.761 0.375 1.00 0.00 H new ATOM 0 HH12 ARG A 13 17.019 10.231 -0.500 1.00 0.00 H new ATOM 0 HH21 ARG A 13 20.451 9.992 0.279 1.00 0.00 H new ATOM 0 HH22 ARG A 13 19.203 10.925 -0.554 1.00 0.00 H new ATOM 122 N ASP A 14 16.018 3.983 4.680 1.00 0.00 N ATOM 123 CA ASP A 14 14.789 3.514 5.263 1.00 0.00 C ATOM 124 C ASP A 14 13.588 4.273 4.697 1.00 0.00 C ATOM 125 O ASP A 14 13.707 4.985 3.700 1.00 0.00 O ATOM 126 CB ASP A 14 14.886 3.698 6.773 1.00 0.00 C ATOM 127 CG ASP A 14 14.724 5.143 7.210 1.00 0.00 C ATOM 128 OD1 ASP A 14 15.002 6.046 6.393 1.00 0.00 O ATOM 129 OD2 ASP A 14 14.318 5.371 8.369 1.00 0.00 O ATOM 0 H ASP A 14 16.213 4.968 4.857 1.00 0.00 H new ATOM 0 HA ASP A 14 14.641 2.461 5.023 1.00 0.00 H new ATOM 0 HB2 ASP A 14 14.121 3.091 7.257 1.00 0.00 H new ATOM 0 HB3 ASP A 14 15.852 3.327 7.117 1.00 0.00 H new ATOM 134 N ILE A 15 12.438 4.126 5.346 1.00 0.00 N ATOM 135 CA ILE A 15 11.223 4.813 4.917 1.00 0.00 C ATOM 136 C ILE A 15 10.403 5.258 6.126 1.00 0.00 C ATOM 137 O ILE A 15 10.535 4.700 7.215 1.00 0.00 O ATOM 138 CB ILE A 15 10.364 3.926 3.997 1.00 0.00 C ATOM 139 CG1 ILE A 15 9.212 4.729 3.393 1.00 0.00 C ATOM 140 CG2 ILE A 15 9.832 2.725 4.755 1.00 0.00 C ATOM 141 CD1 ILE A 15 8.748 4.197 2.055 1.00 0.00 C ATOM 0 H ILE A 15 12.321 3.538 6.171 1.00 0.00 H new ATOM 0 HA ILE A 15 11.529 5.692 4.349 1.00 0.00 H new ATOM 0 HB ILE A 15 10.996 3.568 3.185 1.00 0.00 H new ATOM 0 HG12 ILE A 15 8.373 4.726 4.088 1.00 0.00 H new ATOM 0 HG13 ILE A 15 9.524 5.767 3.275 1.00 0.00 H new ATOM 0 HG21 ILE A 15 9.228 2.111 4.087 1.00 0.00 H new ATOM 0 HG22 ILE A 15 10.667 2.135 5.134 1.00 0.00 H new ATOM 0 HG23 ILE A 15 9.219 3.064 5.590 1.00 0.00 H new ATOM 0 HD11 ILE A 15 7.929 4.813 1.683 1.00 0.00 H new ATOM 0 HD12 ILE A 15 9.575 4.226 1.345 1.00 0.00 H new ATOM 0 HD13 ILE A 15 8.405 3.169 2.171 1.00 0.00 H new ATOM 153 N ASP A 16 9.582 6.287 5.938 1.00 0.00 N ATOM 154 CA ASP A 16 8.795 6.849 7.032 1.00 0.00 C ATOM 155 C ASP A 16 7.472 6.115 7.239 1.00 0.00 C ATOM 156 O ASP A 16 7.167 5.677 8.348 1.00 0.00 O ATOM 157 CB ASP A 16 8.522 8.332 6.771 1.00 0.00 C ATOM 158 CG ASP A 16 8.246 9.103 8.048 1.00 0.00 C ATOM 159 OD1 ASP A 16 7.106 9.026 8.553 1.00 0.00 O ATOM 160 OD2 ASP A 16 9.169 9.784 8.541 1.00 0.00 O ATOM 0 H ASP A 16 9.444 6.749 5.039 1.00 0.00 H new ATOM 0 HA ASP A 16 9.382 6.729 7.942 1.00 0.00 H new ATOM 0 HB2 ASP A 16 9.379 8.772 6.262 1.00 0.00 H new ATOM 0 HB3 ASP A 16 7.669 8.429 6.100 1.00 0.00 H new ATOM 165 N ASN A 17 6.669 6.023 6.184 1.00 0.00 N ATOM 166 CA ASN A 17 5.352 5.392 6.281 1.00 0.00 C ATOM 167 C ASN A 17 5.413 3.910 5.924 1.00 0.00 C ATOM 168 O ASN A 17 4.425 3.333 5.471 1.00 0.00 O ATOM 169 CB ASN A 17 4.335 6.099 5.373 1.00 0.00 C ATOM 170 CG ASN A 17 4.659 7.564 5.145 1.00 0.00 C ATOM 171 OD1 ASN A 17 5.568 7.829 4.214 1.00 0.00 O flip ATOM 172 ND2 ASN A 17 4.101 8.445 5.798 1.00 0.00 N flip ATOM 0 H ASN A 17 6.903 6.374 5.255 1.00 0.00 H new ATOM 0 HA ASN A 17 5.029 5.485 7.318 1.00 0.00 H new ATOM 0 HB2 ASN A 17 4.298 5.587 4.411 1.00 0.00 H new ATOM 0 HB3 ASN A 17 3.343 6.017 5.816 1.00 0.00 H new ATOM 0 HD21 ASN A 17 3.408 8.195 6.504 1.00 0.00 H new ATOM 0 HD22 ASN A 17 4.331 9.425 5.634 1.00 0.00 H new ATOM 179 N GLY A 18 6.565 3.293 6.154 1.00 0.00 N ATOM 180 CA GLY A 18 6.715 1.881 5.857 1.00 0.00 C ATOM 181 C GLY A 18 7.970 1.284 6.462 1.00 0.00 C ATOM 182 O GLY A 18 8.605 1.893 7.324 1.00 0.00 O ATOM 0 H GLY A 18 7.395 3.743 6.539 1.00 0.00 H new ATOM 0 HA2 GLY A 18 5.845 1.341 6.231 1.00 0.00 H new ATOM 0 HA3 GLY A 18 6.736 1.742 4.776 1.00 0.00 H new ATOM 186 N GLN A 19 8.338 0.096 5.994 1.00 0.00 N ATOM 187 CA GLN A 19 9.537 -0.583 6.473 1.00 0.00 C ATOM 188 C GLN A 19 10.357 -1.104 5.297 1.00 0.00 C ATOM 189 O GLN A 19 9.936 -1.001 4.144 1.00 0.00 O ATOM 190 CB GLN A 19 9.168 -1.743 7.404 1.00 0.00 C ATOM 191 CG GLN A 19 7.886 -1.515 8.190 1.00 0.00 C ATOM 192 CD GLN A 19 8.013 -1.929 9.643 1.00 0.00 C ATOM 193 OE1 GLN A 19 7.344 -2.857 10.097 1.00 0.00 O ATOM 194 NE2 GLN A 19 8.876 -1.240 10.381 1.00 0.00 N ATOM 0 H GLN A 19 7.821 -0.418 5.281 1.00 0.00 H new ATOM 0 HA GLN A 19 10.134 0.137 7.032 1.00 0.00 H new ATOM 0 HB2 GLN A 19 9.064 -2.652 6.812 1.00 0.00 H new ATOM 0 HB3 GLN A 19 9.987 -1.910 8.103 1.00 0.00 H new ATOM 0 HG2 GLN A 19 7.615 -0.460 8.139 1.00 0.00 H new ATOM 0 HG3 GLN A 19 7.075 -2.076 7.726 1.00 0.00 H new ATOM 0 HE21 GLN A 19 9.410 -0.478 9.963 1.00 0.00 H new ATOM 0 HE22 GLN A 19 9.005 -1.473 11.366 1.00 0.00 H new ATOM 203 N LEU A 20 11.527 -1.662 5.588 1.00 0.00 N ATOM 204 CA LEU A 20 12.393 -2.193 4.541 1.00 0.00 C ATOM 205 C LEU A 20 12.697 -3.668 4.772 1.00 0.00 C ATOM 206 O LEU A 20 12.602 -4.170 5.892 1.00 0.00 O ATOM 207 CB LEU A 20 13.705 -1.404 4.464 1.00 0.00 C ATOM 208 CG LEU A 20 13.663 0.005 5.060 1.00 0.00 C ATOM 209 CD1 LEU A 20 13.617 -0.061 6.577 1.00 0.00 C ATOM 210 CD2 LEU A 20 12.470 0.775 4.522 1.00 0.00 C ATOM 0 H LEU A 20 11.896 -1.758 6.534 1.00 0.00 H new ATOM 0 HA LEU A 20 11.860 -2.090 3.596 1.00 0.00 H new ATOM 0 HB2 LEU A 20 14.481 -1.973 4.976 1.00 0.00 H new ATOM 0 HB3 LEU A 20 14.002 -1.328 3.418 1.00 0.00 H new ATOM 0 HG LEU A 20 14.571 0.531 4.766 1.00 0.00 H new ATOM 0 HD11 LEU A 20 13.588 0.950 6.984 1.00 0.00 H new ATOM 0 HD12 LEU A 20 12.726 -0.605 6.891 1.00 0.00 H new ATOM 0 HD13 LEU A 20 14.505 -0.575 6.946 1.00 0.00 H new ATOM 0 HD21 LEU A 20 12.456 1.775 4.957 1.00 0.00 H new ATOM 0 HD22 LEU A 20 12.546 0.852 3.437 1.00 0.00 H new ATOM 0 HD23 LEU A 20 11.551 0.252 4.785 1.00 0.00 H new ATOM 222 N ASP A 21 13.068 -4.352 3.697 1.00 0.00 N ATOM 223 CA ASP A 21 13.417 -5.766 3.761 1.00 0.00 C ATOM 224 C ASP A 21 14.788 -5.991 3.137 1.00 0.00 C ATOM 225 O ASP A 21 14.899 -6.296 1.950 1.00 0.00 O ATOM 226 CB ASP A 21 12.366 -6.608 3.036 1.00 0.00 C ATOM 227 CG ASP A 21 12.029 -7.883 3.783 1.00 0.00 C ATOM 228 OD1 ASP A 21 12.477 -8.964 3.347 1.00 0.00 O ATOM 229 OD2 ASP A 21 11.315 -7.801 4.805 1.00 0.00 O ATOM 0 H ASP A 21 13.135 -3.947 2.763 1.00 0.00 H new ATOM 0 HA ASP A 21 13.447 -6.072 4.807 1.00 0.00 H new ATOM 0 HB2 ASP A 21 11.459 -6.017 2.904 1.00 0.00 H new ATOM 0 HB3 ASP A 21 12.730 -6.860 2.040 1.00 0.00 H new ATOM 234 N ILE A 22 15.832 -5.797 3.935 1.00 0.00 N ATOM 235 CA ILE A 22 17.201 -5.916 3.445 1.00 0.00 C ATOM 236 C ILE A 22 17.676 -7.361 3.427 1.00 0.00 C ATOM 237 O ILE A 22 18.142 -7.886 4.438 1.00 0.00 O ATOM 238 CB ILE A 22 18.184 -5.075 4.280 1.00 0.00 C ATOM 239 CG1 ILE A 22 17.493 -3.773 4.744 1.00 0.00 C ATOM 240 CG2 ILE A 22 19.453 -4.811 3.471 1.00 0.00 C ATOM 241 CD1 ILE A 22 18.351 -2.522 4.714 1.00 0.00 C ATOM 0 H ILE A 22 15.757 -5.557 4.923 1.00 0.00 H new ATOM 0 HA ILE A 22 17.186 -5.536 2.423 1.00 0.00 H new ATOM 0 HB ILE A 22 18.480 -5.620 5.176 1.00 0.00 H new ATOM 0 HG12 ILE A 22 16.618 -3.605 4.116 1.00 0.00 H new ATOM 0 HG13 ILE A 22 17.132 -3.919 5.762 1.00 0.00 H new ATOM 0 HG21 ILE A 22 20.146 -4.216 4.065 1.00 0.00 H new ATOM 0 HG22 ILE A 22 19.922 -5.760 3.209 1.00 0.00 H new ATOM 0 HG23 ILE A 22 19.198 -4.269 2.560 1.00 0.00 H new ATOM 0 HD11 ILE A 22 17.765 -1.670 5.059 1.00 0.00 H new ATOM 0 HD12 ILE A 22 19.214 -2.657 5.366 1.00 0.00 H new ATOM 0 HD13 ILE A 22 18.691 -2.339 3.695 1.00 0.00 H new ATOM 253 N GLY A 23 17.582 -7.989 2.262 1.00 0.00 N ATOM 254 CA GLY A 23 18.056 -9.349 2.116 1.00 0.00 C ATOM 255 C GLY A 23 19.514 -9.402 1.691 1.00 0.00 C ATOM 256 O GLY A 23 20.015 -10.459 1.307 1.00 0.00 O ATOM 0 H GLY A 23 17.186 -7.580 1.416 1.00 0.00 H new ATOM 0 HA2 GLY A 23 17.935 -9.879 3.061 1.00 0.00 H new ATOM 0 HA3 GLY A 23 17.444 -9.869 1.378 1.00 0.00 H new ATOM 260 N GLY A 24 20.195 -8.257 1.752 1.00 0.00 N ATOM 261 CA GLY A 24 21.592 -8.201 1.362 1.00 0.00 C ATOM 262 C GLY A 24 22.077 -6.778 1.162 1.00 0.00 C ATOM 263 O GLY A 24 21.306 -5.905 0.766 1.00 0.00 O ATOM 0 H GLY A 24 19.802 -7.369 2.065 1.00 0.00 H new ATOM 0 HA2 GLY A 24 22.200 -8.686 2.126 1.00 0.00 H new ATOM 0 HA3 GLY A 24 21.732 -8.763 0.439 1.00 0.00 H new ATOM 267 N VAL A 25 23.356 -6.544 1.439 1.00 0.00 N ATOM 268 CA VAL A 25 23.942 -5.216 1.288 1.00 0.00 C ATOM 269 C VAL A 25 25.239 -5.258 0.480 1.00 0.00 C ATOM 270 O VAL A 25 25.999 -4.290 0.466 1.00 0.00 O ATOM 271 CB VAL A 25 24.226 -4.569 2.658 1.00 0.00 C ATOM 272 CG1 VAL A 25 22.957 -4.509 3.492 1.00 0.00 C ATOM 273 CG2 VAL A 25 25.321 -5.327 3.395 1.00 0.00 C ATOM 0 H VAL A 25 24.007 -7.257 1.769 1.00 0.00 H new ATOM 0 HA VAL A 25 23.209 -4.615 0.750 1.00 0.00 H new ATOM 0 HB VAL A 25 24.574 -3.550 2.491 1.00 0.00 H new ATOM 0 HG11 VAL A 25 23.176 -4.049 4.456 1.00 0.00 H new ATOM 0 HG12 VAL A 25 22.206 -3.916 2.970 1.00 0.00 H new ATOM 0 HG13 VAL A 25 22.577 -5.518 3.650 1.00 0.00 H new ATOM 0 HG21 VAL A 25 25.506 -4.853 4.359 1.00 0.00 H new ATOM 0 HG22 VAL A 25 25.007 -6.359 3.552 1.00 0.00 H new ATOM 0 HG23 VAL A 25 26.236 -5.312 2.803 1.00 0.00 H new ATOM 283 N ASP A 26 25.490 -6.379 -0.191 1.00 0.00 N ATOM 284 CA ASP A 26 26.692 -6.527 -1.003 1.00 0.00 C ATOM 285 C ASP A 26 26.411 -6.144 -2.450 1.00 0.00 C ATOM 286 O ASP A 26 25.286 -6.284 -2.930 1.00 0.00 O ATOM 287 CB ASP A 26 27.205 -7.966 -0.935 1.00 0.00 C ATOM 288 CG ASP A 26 26.128 -8.980 -1.265 1.00 0.00 C ATOM 289 OD1 ASP A 26 25.568 -8.911 -2.379 1.00 0.00 O ATOM 290 OD2 ASP A 26 25.844 -9.845 -0.409 1.00 0.00 O ATOM 0 H ASP A 26 24.878 -7.195 -0.188 1.00 0.00 H new ATOM 0 HA ASP A 26 27.457 -5.859 -0.607 1.00 0.00 H new ATOM 0 HB2 ASP A 26 28.037 -8.085 -1.629 1.00 0.00 H new ATOM 0 HB3 ASP A 26 27.592 -8.164 0.064 1.00 0.00 H new ATOM 295 N PHE A 27 27.437 -5.661 -3.145 1.00 0.00 N ATOM 296 CA PHE A 27 27.288 -5.261 -4.541 1.00 0.00 C ATOM 297 C PHE A 27 26.593 -6.354 -5.345 1.00 0.00 C ATOM 298 O PHE A 27 27.209 -7.351 -5.723 1.00 0.00 O ATOM 299 CB PHE A 27 28.648 -4.941 -5.160 1.00 0.00 C ATOM 300 CG PHE A 27 28.562 -3.983 -6.313 1.00 0.00 C ATOM 301 CD1 PHE A 27 27.721 -4.242 -7.384 1.00 0.00 C ATOM 302 CD2 PHE A 27 29.310 -2.817 -6.321 1.00 0.00 C ATOM 303 CE1 PHE A 27 27.634 -3.361 -8.444 1.00 0.00 C ATOM 304 CE2 PHE A 27 29.226 -1.931 -7.378 1.00 0.00 C ATOM 305 CZ PHE A 27 28.387 -2.203 -8.441 1.00 0.00 C ATOM 0 H PHE A 27 28.376 -5.537 -2.767 1.00 0.00 H new ATOM 0 HA PHE A 27 26.672 -4.362 -4.568 1.00 0.00 H new ATOM 0 HB2 PHE A 27 29.299 -4.520 -4.394 1.00 0.00 H new ATOM 0 HB3 PHE A 27 29.113 -5.867 -5.499 1.00 0.00 H new ATOM 0 HD1 PHE A 27 27.127 -5.144 -7.390 1.00 0.00 H new ATOM 0 HD2 PHE A 27 29.966 -2.598 -5.492 1.00 0.00 H new ATOM 0 HE1 PHE A 27 26.978 -3.577 -9.274 1.00 0.00 H new ATOM 0 HE2 PHE A 27 29.816 -1.026 -7.373 1.00 0.00 H new ATOM 0 HZ PHE A 27 28.320 -1.512 -9.268 1.00 0.00 H new ATOM 315 N GLY A 28 25.302 -6.164 -5.587 1.00 0.00 N ATOM 316 CA GLY A 28 24.531 -7.147 -6.321 1.00 0.00 C ATOM 317 C GLY A 28 23.273 -7.572 -5.583 1.00 0.00 C ATOM 318 O GLY A 28 22.518 -8.413 -6.072 1.00 0.00 O ATOM 0 H GLY A 28 24.775 -5.344 -5.287 1.00 0.00 H new ATOM 0 HA2 GLY A 28 24.257 -6.736 -7.293 1.00 0.00 H new ATOM 0 HA3 GLY A 28 25.151 -8.023 -6.509 1.00 0.00 H new ATOM 322 N SER A 29 23.045 -6.999 -4.401 1.00 0.00 N ATOM 323 CA SER A 29 21.865 -7.323 -3.615 1.00 0.00 C ATOM 324 C SER A 29 20.795 -6.257 -3.797 1.00 0.00 C ATOM 325 O SER A 29 21.051 -5.199 -4.372 1.00 0.00 O ATOM 326 CB SER A 29 22.230 -7.450 -2.135 1.00 0.00 C ATOM 327 OG SER A 29 22.293 -6.177 -1.513 1.00 0.00 O ATOM 0 H SER A 29 23.663 -6.310 -3.972 1.00 0.00 H new ATOM 0 HA SER A 29 21.471 -8.278 -3.964 1.00 0.00 H new ATOM 0 HB2 SER A 29 21.491 -8.070 -1.627 1.00 0.00 H new ATOM 0 HB3 SER A 29 23.191 -7.954 -2.036 1.00 0.00 H new ATOM 0 HG SER A 29 21.468 -6.018 -1.008 1.00 0.00 H new ATOM 333 N SER A 30 19.596 -6.539 -3.308 1.00 0.00 N ATOM 334 CA SER A 30 18.494 -5.597 -3.421 1.00 0.00 C ATOM 335 C SER A 30 17.621 -5.627 -2.176 1.00 0.00 C ATOM 336 O SER A 30 17.344 -6.689 -1.620 1.00 0.00 O ATOM 337 CB SER A 30 17.650 -5.905 -4.660 1.00 0.00 C ATOM 338 OG SER A 30 17.449 -7.300 -4.808 1.00 0.00 O ATOM 0 H SER A 30 19.363 -7.410 -2.831 1.00 0.00 H new ATOM 0 HA SER A 30 18.917 -4.597 -3.521 1.00 0.00 H new ATOM 0 HB2 SER A 30 16.686 -5.402 -4.581 1.00 0.00 H new ATOM 0 HB3 SER A 30 18.144 -5.510 -5.548 1.00 0.00 H new ATOM 0 HG SER A 30 17.335 -7.710 -3.925 1.00 0.00 H new ATOM 344 N ILE A 31 17.207 -4.448 -1.737 1.00 0.00 N ATOM 345 CA ILE A 31 16.346 -4.326 -0.568 1.00 0.00 C ATOM 346 C ILE A 31 14.886 -4.305 -1.007 1.00 0.00 C ATOM 347 O ILE A 31 14.596 -4.280 -2.202 1.00 0.00 O ATOM 348 CB ILE A 31 16.651 -3.053 0.260 1.00 0.00 C ATOM 349 CG1 ILE A 31 18.085 -2.567 0.044 1.00 0.00 C ATOM 350 CG2 ILE A 31 16.435 -3.318 1.735 1.00 0.00 C ATOM 351 CD1 ILE A 31 18.380 -1.262 0.749 1.00 0.00 C ATOM 0 H ILE A 31 17.454 -3.560 -2.173 1.00 0.00 H new ATOM 0 HA ILE A 31 16.541 -5.188 0.069 1.00 0.00 H new ATOM 0 HB ILE A 31 15.967 -2.276 -0.081 1.00 0.00 H new ATOM 0 HG12 ILE A 31 18.778 -3.330 0.398 1.00 0.00 H new ATOM 0 HG13 ILE A 31 18.264 -2.445 -1.024 1.00 0.00 H new ATOM 0 HG21 ILE A 31 16.654 -2.414 2.303 1.00 0.00 H new ATOM 0 HG22 ILE A 31 15.399 -3.611 1.904 1.00 0.00 H new ATOM 0 HG23 ILE A 31 17.097 -4.120 2.061 1.00 0.00 H new ATOM 0 HD11 ILE A 31 19.413 -0.970 0.557 1.00 0.00 H new ATOM 0 HD12 ILE A 31 17.709 -0.488 0.377 1.00 0.00 H new ATOM 0 HD13 ILE A 31 18.231 -1.386 1.822 1.00 0.00 H new ATOM 363 N THR A 32 13.969 -4.328 -0.048 1.00 0.00 N ATOM 364 CA THR A 32 12.548 -4.318 -0.367 1.00 0.00 C ATOM 365 C THR A 32 11.786 -3.353 0.530 1.00 0.00 C ATOM 366 O THR A 32 11.663 -3.571 1.735 1.00 0.00 O ATOM 367 CB THR A 32 11.962 -5.725 -0.239 1.00 0.00 C ATOM 368 OG1 THR A 32 12.995 -6.690 -0.142 1.00 0.00 O ATOM 369 CG2 THR A 32 11.078 -6.110 -1.404 1.00 0.00 C ATOM 0 H THR A 32 14.182 -4.354 0.949 1.00 0.00 H new ATOM 0 HA THR A 32 12.442 -3.980 -1.398 1.00 0.00 H new ATOM 0 HB THR A 32 11.354 -5.707 0.666 1.00 0.00 H new ATOM 0 HG1 THR A 32 12.605 -7.568 0.053 1.00 0.00 H new ATOM 0 HG21 THR A 32 10.694 -7.119 -1.252 1.00 0.00 H new ATOM 0 HG22 THR A 32 10.244 -5.411 -1.474 1.00 0.00 H new ATOM 0 HG23 THR A 32 11.657 -6.078 -2.327 1.00 0.00 H new ATOM 377 N TYR A 33 11.263 -2.291 -0.072 1.00 0.00 N ATOM 378 CA TYR A 33 10.504 -1.292 0.667 1.00 0.00 C ATOM 379 C TYR A 33 9.024 -1.658 0.713 1.00 0.00 C ATOM 380 O TYR A 33 8.466 -2.151 -0.267 1.00 0.00 O ATOM 381 CB TYR A 33 10.682 0.084 0.027 1.00 0.00 C ATOM 382 CG TYR A 33 11.919 0.811 0.498 1.00 0.00 C ATOM 383 CD1 TYR A 33 11.827 1.837 1.427 1.00 0.00 C ATOM 384 CD2 TYR A 33 13.177 0.469 0.017 1.00 0.00 C ATOM 385 CE1 TYR A 33 12.953 2.505 1.864 1.00 0.00 C ATOM 386 CE2 TYR A 33 14.308 1.134 0.447 1.00 0.00 C ATOM 387 CZ TYR A 33 14.191 2.152 1.369 1.00 0.00 C ATOM 388 OH TYR A 33 15.314 2.820 1.797 1.00 0.00 O ATOM 0 H TYR A 33 11.351 -2.101 -1.070 1.00 0.00 H new ATOM 0 HA TYR A 33 10.883 -1.263 1.689 1.00 0.00 H new ATOM 0 HB2 TYR A 33 10.728 -0.031 -1.056 1.00 0.00 H new ATOM 0 HB3 TYR A 33 9.806 0.694 0.246 1.00 0.00 H new ATOM 0 HD1 TYR A 33 10.859 2.118 1.815 1.00 0.00 H new ATOM 0 HD2 TYR A 33 13.272 -0.329 -0.704 1.00 0.00 H new ATOM 0 HE1 TYR A 33 12.865 3.300 2.590 1.00 0.00 H new ATOM 0 HE2 TYR A 33 15.279 0.858 0.063 1.00 0.00 H new ATOM 0 HH TYR A 33 15.941 2.182 2.198 1.00 0.00 H new ATOM 398 N SER A 34 8.397 -1.419 1.858 1.00 0.00 N ATOM 399 CA SER A 34 6.982 -1.725 2.033 1.00 0.00 C ATOM 400 C SER A 34 6.325 -0.721 2.974 1.00 0.00 C ATOM 401 O SER A 34 6.954 -0.235 3.911 1.00 0.00 O ATOM 402 CB SER A 34 6.811 -3.143 2.581 1.00 0.00 C ATOM 403 OG SER A 34 6.522 -4.062 1.542 1.00 0.00 O ATOM 0 H SER A 34 8.846 -1.014 2.680 1.00 0.00 H new ATOM 0 HA SER A 34 6.495 -1.658 1.060 1.00 0.00 H new ATOM 0 HB2 SER A 34 7.721 -3.448 3.098 1.00 0.00 H new ATOM 0 HB3 SER A 34 6.007 -3.157 3.317 1.00 0.00 H new ATOM 0 HG SER A 34 6.419 -4.961 1.919 1.00 0.00 H new ATOM 409 N CYS A 35 5.057 -0.415 2.719 1.00 0.00 N ATOM 410 CA CYS A 35 4.323 0.536 3.542 1.00 0.00 C ATOM 411 C CYS A 35 4.045 -0.040 4.927 1.00 0.00 C ATOM 412 O CYS A 35 4.231 -1.233 5.164 1.00 0.00 O ATOM 413 CB CYS A 35 3.008 0.917 2.862 1.00 0.00 C ATOM 414 SG CYS A 35 3.181 2.161 1.543 1.00 0.00 S ATOM 0 H CYS A 35 4.518 -0.812 1.949 1.00 0.00 H new ATOM 0 HA CYS A 35 4.938 1.428 3.659 1.00 0.00 H new ATOM 0 HB2 CYS A 35 2.556 0.019 2.441 1.00 0.00 H new ATOM 0 HB3 CYS A 35 2.319 1.297 3.616 1.00 0.00 H new ATOM 419 N ASN A 36 3.604 0.819 5.842 1.00 0.00 N ATOM 420 CA ASN A 36 3.305 0.398 7.206 1.00 0.00 C ATOM 421 C ASN A 36 2.112 -0.551 7.236 1.00 0.00 C ATOM 422 O ASN A 36 2.274 -1.765 7.354 1.00 0.00 O ATOM 423 CB ASN A 36 3.023 1.618 8.086 1.00 0.00 C ATOM 424 CG ASN A 36 4.235 2.046 8.889 1.00 0.00 C ATOM 425 OD1 ASN A 36 4.677 3.282 8.682 1.00 0.00 O flip ATOM 426 ND2 ASN A 36 4.769 1.276 9.688 1.00 0.00 N flip ATOM 0 H ASN A 36 3.446 1.811 5.663 1.00 0.00 H new ATOM 0 HA ASN A 36 4.175 -0.131 7.595 1.00 0.00 H new ATOM 0 HB2 ASN A 36 2.696 2.447 7.458 1.00 0.00 H new ATOM 0 HB3 ASN A 36 2.202 1.390 8.766 1.00 0.00 H new ATOM 0 HD21 ASN A 36 4.397 0.335 9.816 1.00 0.00 H new ATOM 0 HD22 ASN A 36 5.584 1.579 10.222 1.00 0.00 H new ATOM 433 N SER A 37 0.914 0.014 7.134 1.00 0.00 N ATOM 434 CA SER A 37 -0.310 -0.777 7.146 1.00 0.00 C ATOM 435 C SER A 37 -1.457 0.000 6.511 1.00 0.00 C ATOM 436 O SER A 37 -1.601 1.203 6.729 1.00 0.00 O ATOM 437 CB SER A 37 -0.675 -1.170 8.579 1.00 0.00 C ATOM 438 OG SER A 37 -0.405 -2.541 8.817 1.00 0.00 O ATOM 0 H SER A 37 0.765 1.019 7.042 1.00 0.00 H new ATOM 0 HA SER A 37 -0.138 -1.682 6.564 1.00 0.00 H new ATOM 0 HB2 SER A 37 -0.111 -0.558 9.282 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.731 -0.968 8.757 1.00 0.00 H new ATOM 0 HG SER A 37 0.466 -2.775 8.432 1.00 0.00 H new ATOM 444 N GLY A 38 -2.267 -0.692 5.719 1.00 0.00 N ATOM 445 CA GLY A 38 -3.377 -0.044 5.048 1.00 0.00 C ATOM 446 C GLY A 38 -2.915 1.097 4.166 1.00 0.00 C ATOM 447 O GLY A 38 -3.649 2.060 3.944 1.00 0.00 O ATOM 0 H GLY A 38 -2.175 -1.690 5.530 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -3.913 -0.776 4.444 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -4.080 0.333 5.791 1.00 0.00 H new ATOM 451 N TYR A 39 -1.688 0.988 3.669 1.00 0.00 N ATOM 452 CA TYR A 39 -1.110 2.019 2.818 1.00 0.00 C ATOM 453 C TYR A 39 -0.762 1.463 1.442 1.00 0.00 C ATOM 454 O TYR A 39 -0.752 0.249 1.236 1.00 0.00 O ATOM 455 CB TYR A 39 0.152 2.584 3.472 1.00 0.00 C ATOM 456 CG TYR A 39 -0.081 3.843 4.273 1.00 0.00 C ATOM 457 CD1 TYR A 39 -1.216 3.991 5.059 1.00 0.00 C ATOM 458 CD2 TYR A 39 0.846 4.876 4.256 1.00 0.00 C ATOM 459 CE1 TYR A 39 -1.427 5.142 5.795 1.00 0.00 C ATOM 460 CE2 TYR A 39 0.645 6.028 4.991 1.00 0.00 C ATOM 461 CZ TYR A 39 -0.494 6.156 5.759 1.00 0.00 C ATOM 462 OH TYR A 39 -0.700 7.302 6.493 1.00 0.00 O ATOM 0 H TYR A 39 -1.073 0.193 3.842 1.00 0.00 H new ATOM 0 HA TYR A 39 -1.849 2.811 2.695 1.00 0.00 H new ATOM 0 HB2 TYR A 39 0.581 1.824 4.125 1.00 0.00 H new ATOM 0 HB3 TYR A 39 0.889 2.791 2.696 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -1.945 3.195 5.096 1.00 0.00 H new ATOM 0 HD2 TYR A 39 1.740 4.777 3.658 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -2.319 5.246 6.395 1.00 0.00 H new ATOM 0 HE2 TYR A 39 1.375 6.824 4.965 1.00 0.00 H new ATOM 0 HH TYR A 39 0.052 7.916 6.358 1.00 0.00 H new ATOM 472 N HIS A 40 -0.458 2.358 0.506 1.00 0.00 N ATOM 473 CA HIS A 40 -0.062 1.953 -0.836 1.00 0.00 C ATOM 474 C HIS A 40 1.257 2.613 -1.223 1.00 0.00 C ATOM 475 O HIS A 40 1.355 3.838 -1.290 1.00 0.00 O ATOM 476 CB HIS A 40 -1.154 2.293 -1.860 1.00 0.00 C ATOM 477 CG HIS A 40 -1.227 3.744 -2.226 1.00 0.00 C ATOM 478 ND1 HIS A 40 -1.205 4.856 -1.454 1.00 0.00 N flip ATOM 479 CD2 HIS A 40 -1.347 4.186 -3.527 1.00 0.00 C flip ATOM 480 CE1 HIS A 40 -1.307 5.936 -2.295 1.00 0.00 C flip ATOM 481 NE2 HIS A 40 -1.391 5.507 -3.539 1.00 0.00 N flip ATOM 0 H HIS A 40 -0.479 3.367 0.654 1.00 0.00 H new ATOM 0 HA HIS A 40 0.075 0.872 -0.837 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -0.981 1.711 -2.765 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -2.119 1.982 -1.461 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -1.397 3.552 -4.400 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -1.317 6.971 -1.987 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -1.475 6.094 -4.369 1.00 0.00 H new ATOM 490 N LEU A 41 2.274 1.792 -1.447 1.00 0.00 N ATOM 491 CA LEU A 41 3.592 2.288 -1.810 1.00 0.00 C ATOM 492 C LEU A 41 3.662 2.595 -3.298 1.00 0.00 C ATOM 493 O LEU A 41 3.353 1.745 -4.133 1.00 0.00 O ATOM 494 CB LEU A 41 4.659 1.259 -1.437 1.00 0.00 C ATOM 495 CG LEU A 41 6.086 1.641 -1.821 1.00 0.00 C ATOM 496 CD1 LEU A 41 7.081 0.956 -0.900 1.00 0.00 C ATOM 497 CD2 LEU A 41 6.360 1.283 -3.274 1.00 0.00 C ATOM 0 H LEU A 41 2.210 0.776 -1.383 1.00 0.00 H new ATOM 0 HA LEU A 41 3.776 3.211 -1.260 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.621 1.092 -0.361 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.411 0.311 -1.915 1.00 0.00 H new ATOM 0 HG LEU A 41 6.201 2.719 -1.709 1.00 0.00 H new ATOM 0 HD11 LEU A 41 8.095 1.238 -1.186 1.00 0.00 H new ATOM 0 HD12 LEU A 41 6.895 1.263 0.129 1.00 0.00 H new ATOM 0 HD13 LEU A 41 6.968 -0.125 -0.982 1.00 0.00 H new ATOM 0 HD21 LEU A 41 7.382 1.562 -3.531 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.231 0.210 -3.415 1.00 0.00 H new ATOM 0 HD23 LEU A 41 5.664 1.820 -3.919 1.00 0.00 H new ATOM 509 N ILE A 42 4.064 3.817 -3.626 1.00 0.00 N ATOM 510 CA ILE A 42 4.160 4.234 -5.018 1.00 0.00 C ATOM 511 C ILE A 42 5.611 4.299 -5.472 1.00 0.00 C ATOM 512 O ILE A 42 6.532 4.302 -4.655 1.00 0.00 O ATOM 513 CB ILE A 42 3.498 5.607 -5.263 1.00 0.00 C ATOM 514 CG1 ILE A 42 2.327 5.829 -4.301 1.00 0.00 C ATOM 515 CG2 ILE A 42 3.022 5.704 -6.701 1.00 0.00 C ATOM 516 CD1 ILE A 42 1.317 4.704 -4.320 1.00 0.00 C ATOM 0 H ILE A 42 4.328 4.533 -2.950 1.00 0.00 H new ATOM 0 HA ILE A 42 3.626 3.482 -5.599 1.00 0.00 H new ATOM 0 HB ILE A 42 4.240 6.384 -5.080 1.00 0.00 H new ATOM 0 HG12 ILE A 42 2.714 5.944 -3.289 1.00 0.00 H new ATOM 0 HG13 ILE A 42 1.826 6.762 -4.558 1.00 0.00 H new ATOM 0 HG21 ILE A 42 2.556 6.676 -6.865 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.872 5.591 -7.374 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.296 4.916 -6.898 1.00 0.00 H new ATOM 0 HD11 ILE A 42 0.514 4.924 -3.617 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.903 4.604 -5.323 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.805 3.772 -4.034 1.00 0.00 H new ATOM 528 N GLY A 43 5.804 4.352 -6.783 1.00 0.00 N ATOM 529 CA GLY A 43 7.145 4.417 -7.333 1.00 0.00 C ATOM 530 C GLY A 43 7.883 3.098 -7.220 1.00 0.00 C ATOM 531 O GLY A 43 7.342 2.046 -7.560 1.00 0.00 O ATOM 0 H GLY A 43 5.056 4.351 -7.476 1.00 0.00 H new ATOM 0 HA2 GLY A 43 7.090 4.711 -8.381 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.710 5.191 -6.814 1.00 0.00 H new ATOM 535 N GLU A 44 9.122 3.154 -6.741 1.00 0.00 N ATOM 536 CA GLU A 44 9.931 1.953 -6.576 1.00 0.00 C ATOM 537 C GLU A 44 9.581 1.241 -5.277 1.00 0.00 C ATOM 538 O GLU A 44 8.670 1.647 -4.559 1.00 0.00 O ATOM 539 CB GLU A 44 11.422 2.302 -6.584 1.00 0.00 C ATOM 540 CG GLU A 44 11.763 3.547 -5.781 1.00 0.00 C ATOM 541 CD GLU A 44 12.122 4.731 -6.659 1.00 0.00 C ATOM 542 OE1 GLU A 44 12.112 5.871 -6.150 1.00 0.00 O ATOM 543 OE2 GLU A 44 12.414 4.518 -7.855 1.00 0.00 O ATOM 0 H GLU A 44 9.587 4.018 -6.461 1.00 0.00 H new ATOM 0 HA GLU A 44 9.716 1.288 -7.413 1.00 0.00 H new ATOM 0 HB2 GLU A 44 11.986 1.458 -6.186 1.00 0.00 H new ATOM 0 HB3 GLU A 44 11.747 2.445 -7.615 1.00 0.00 H new ATOM 0 HG2 GLU A 44 10.914 3.812 -5.151 1.00 0.00 H new ATOM 0 HG3 GLU A 44 12.598 3.327 -5.115 1.00 0.00 H new ATOM 550 N SER A 45 10.324 0.185 -4.979 1.00 0.00 N ATOM 551 CA SER A 45 10.113 -0.585 -3.761 1.00 0.00 C ATOM 552 C SER A 45 11.252 -1.573 -3.553 1.00 0.00 C ATOM 553 O SER A 45 11.059 -2.646 -2.981 1.00 0.00 O ATOM 554 CB SER A 45 8.780 -1.332 -3.829 1.00 0.00 C ATOM 555 OG SER A 45 8.167 -1.401 -2.554 1.00 0.00 O ATOM 0 H SER A 45 11.082 -0.160 -5.567 1.00 0.00 H new ATOM 0 HA SER A 45 10.088 0.105 -2.918 1.00 0.00 H new ATOM 0 HB2 SER A 45 8.113 -0.829 -4.529 1.00 0.00 H new ATOM 0 HB3 SER A 45 8.943 -2.339 -4.212 1.00 0.00 H new ATOM 0 HG SER A 45 8.779 -1.829 -1.919 1.00 0.00 H new ATOM 561 N LYS A 46 12.442 -1.204 -4.017 1.00 0.00 N ATOM 562 CA LYS A 46 13.595 -2.072 -3.912 1.00 0.00 C ATOM 563 C LYS A 46 14.884 -1.310 -4.215 1.00 0.00 C ATOM 564 O LYS A 46 15.091 -0.846 -5.336 1.00 0.00 O ATOM 565 CB LYS A 46 13.435 -3.234 -4.886 1.00 0.00 C ATOM 566 CG LYS A 46 12.590 -4.374 -4.342 1.00 0.00 C ATOM 567 CD LYS A 46 13.016 -5.713 -4.919 1.00 0.00 C ATOM 568 CE LYS A 46 14.068 -6.383 -4.052 1.00 0.00 C ATOM 569 NZ LYS A 46 14.583 -7.636 -4.670 1.00 0.00 N ATOM 0 H LYS A 46 12.626 -0.308 -4.468 1.00 0.00 H new ATOM 0 HA LYS A 46 13.660 -2.449 -2.892 1.00 0.00 H new ATOM 0 HB2 LYS A 46 12.983 -2.865 -5.807 1.00 0.00 H new ATOM 0 HB3 LYS A 46 14.422 -3.617 -5.147 1.00 0.00 H new ATOM 0 HG2 LYS A 46 12.673 -4.403 -3.256 1.00 0.00 H new ATOM 0 HG3 LYS A 46 11.541 -4.194 -4.577 1.00 0.00 H new ATOM 0 HD2 LYS A 46 12.147 -6.365 -5.008 1.00 0.00 H new ATOM 0 HD3 LYS A 46 13.410 -5.568 -5.925 1.00 0.00 H new ATOM 0 HE2 LYS A 46 14.896 -5.693 -3.887 1.00 0.00 H new ATOM 0 HE3 LYS A 46 13.642 -6.609 -3.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 14.349 -8.445 -4.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 14.145 -7.768 -5.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 15.615 -7.571 -4.777 1.00 0.00 H new ATOM 583 N SER A 47 15.739 -1.173 -3.206 1.00 0.00 N ATOM 584 CA SER A 47 17.019 -0.492 -3.371 1.00 0.00 C ATOM 585 C SER A 47 18.051 -1.465 -3.907 1.00 0.00 C ATOM 586 O SER A 47 18.163 -2.583 -3.408 1.00 0.00 O ATOM 587 CB SER A 47 17.493 0.074 -2.031 1.00 0.00 C ATOM 588 OG SER A 47 18.181 1.301 -2.192 1.00 0.00 O ATOM 0 H SER A 47 15.568 -1.525 -2.264 1.00 0.00 H new ATOM 0 HA SER A 47 16.893 0.329 -4.077 1.00 0.00 H new ATOM 0 HB2 SER A 47 16.635 0.222 -1.375 1.00 0.00 H new ATOM 0 HB3 SER A 47 18.147 -0.648 -1.542 1.00 0.00 H new ATOM 0 HG SER A 47 18.535 1.360 -3.104 1.00 0.00 H new ATOM 594 N TYR A 48 18.794 -1.066 -4.934 1.00 0.00 N ATOM 595 CA TYR A 48 19.799 -1.976 -5.496 1.00 0.00 C ATOM 596 C TYR A 48 21.209 -1.543 -5.131 1.00 0.00 C ATOM 597 O TYR A 48 21.639 -0.432 -5.438 1.00 0.00 O ATOM 598 CB TYR A 48 19.647 -2.131 -7.012 1.00 0.00 C ATOM 599 CG TYR A 48 18.219 -2.012 -7.479 1.00 0.00 C ATOM 600 CD1 TYR A 48 17.854 -1.094 -8.454 1.00 0.00 C ATOM 601 CD2 TYR A 48 17.233 -2.821 -6.934 1.00 0.00 C ATOM 602 CE1 TYR A 48 16.543 -0.985 -8.874 1.00 0.00 C ATOM 603 CE2 TYR A 48 15.920 -2.722 -7.348 1.00 0.00 C ATOM 604 CZ TYR A 48 15.579 -1.802 -8.318 1.00 0.00 C ATOM 605 OH TYR A 48 14.271 -1.698 -8.735 1.00 0.00 O ATOM 0 H TYR A 48 18.729 -0.153 -5.385 1.00 0.00 H new ATOM 0 HA TYR A 48 19.624 -2.955 -5.049 1.00 0.00 H new ATOM 0 HB2 TYR A 48 20.250 -1.373 -7.511 1.00 0.00 H new ATOM 0 HB3 TYR A 48 20.042 -3.101 -7.313 1.00 0.00 H new ATOM 0 HD1 TYR A 48 18.607 -0.455 -8.891 1.00 0.00 H new ATOM 0 HD2 TYR A 48 17.497 -3.540 -6.173 1.00 0.00 H new ATOM 0 HE1 TYR A 48 16.274 -0.265 -9.633 1.00 0.00 H new ATOM 0 HE2 TYR A 48 15.164 -3.361 -6.915 1.00 0.00 H new ATOM 0 HH TYR A 48 13.719 -2.344 -8.246 1.00 0.00 H new ATOM 615 N CYS A 49 21.912 -2.441 -4.451 1.00 0.00 N ATOM 616 CA CYS A 49 23.273 -2.183 -4.003 1.00 0.00 C ATOM 617 C CYS A 49 24.234 -2.085 -5.180 1.00 0.00 C ATOM 618 O CYS A 49 24.442 -3.052 -5.913 1.00 0.00 O ATOM 619 CB CYS A 49 23.728 -3.289 -3.047 1.00 0.00 C ATOM 620 SG CYS A 49 25.484 -3.190 -2.571 1.00 0.00 S ATOM 0 H CYS A 49 21.557 -3.363 -4.196 1.00 0.00 H new ATOM 0 HA CYS A 49 23.280 -1.226 -3.480 1.00 0.00 H new ATOM 0 HB2 CYS A 49 23.116 -3.249 -2.146 1.00 0.00 H new ATOM 0 HB3 CYS A 49 23.544 -4.256 -3.515 1.00 0.00 H new ATOM 625 N GLU A 50 24.828 -0.910 -5.342 1.00 0.00 N ATOM 626 CA GLU A 50 25.782 -0.671 -6.417 1.00 0.00 C ATOM 627 C GLU A 50 26.678 0.511 -6.077 1.00 0.00 C ATOM 628 O GLU A 50 26.528 1.124 -5.025 1.00 0.00 O ATOM 629 CB GLU A 50 25.048 -0.404 -7.729 1.00 0.00 C ATOM 630 CG GLU A 50 24.880 -1.642 -8.593 1.00 0.00 C ATOM 631 CD GLU A 50 23.533 -1.693 -9.286 1.00 0.00 C ATOM 632 OE1 GLU A 50 23.052 -0.629 -9.729 1.00 0.00 O ATOM 633 OE2 GLU A 50 22.959 -2.798 -9.387 1.00 0.00 O ATOM 0 H GLU A 50 24.665 -0.104 -4.739 1.00 0.00 H new ATOM 0 HA GLU A 50 26.400 -1.561 -6.532 1.00 0.00 H new ATOM 0 HB2 GLU A 50 24.065 0.011 -7.508 1.00 0.00 H new ATOM 0 HB3 GLU A 50 25.593 0.352 -8.294 1.00 0.00 H new ATOM 0 HG2 GLU A 50 25.671 -1.667 -9.343 1.00 0.00 H new ATOM 0 HG3 GLU A 50 24.999 -2.531 -7.974 1.00 0.00 H new ATOM 640 N LEU A 51 27.601 0.833 -6.973 1.00 0.00 N ATOM 641 CA LEU A 51 28.505 1.949 -6.756 1.00 0.00 C ATOM 642 C LEU A 51 28.469 2.914 -7.938 1.00 0.00 C ATOM 643 O LEU A 51 28.240 2.506 -9.077 1.00 0.00 O ATOM 644 CB LEU A 51 29.929 1.430 -6.491 1.00 0.00 C ATOM 645 CG LEU A 51 30.883 1.380 -7.693 1.00 0.00 C ATOM 646 CD1 LEU A 51 31.370 2.776 -8.051 1.00 0.00 C ATOM 647 CD2 LEU A 51 32.063 0.472 -7.389 1.00 0.00 C ATOM 0 H LEU A 51 27.742 0.338 -7.854 1.00 0.00 H new ATOM 0 HA LEU A 51 28.178 2.503 -5.876 1.00 0.00 H new ATOM 0 HB2 LEU A 51 30.382 2.058 -5.724 1.00 0.00 H new ATOM 0 HB3 LEU A 51 29.852 0.425 -6.076 1.00 0.00 H new ATOM 0 HG LEU A 51 30.340 0.977 -8.548 1.00 0.00 H new ATOM 0 HD11 LEU A 51 32.045 2.718 -8.905 1.00 0.00 H new ATOM 0 HD12 LEU A 51 30.517 3.405 -8.305 1.00 0.00 H new ATOM 0 HD13 LEU A 51 31.898 3.206 -7.200 1.00 0.00 H new ATOM 0 HD21 LEU A 51 32.732 0.445 -8.249 1.00 0.00 H new ATOM 0 HD22 LEU A 51 32.602 0.854 -6.522 1.00 0.00 H new ATOM 0 HD23 LEU A 51 31.702 -0.535 -7.178 1.00 0.00 H new ATOM 659 N GLY A 52 28.686 4.194 -7.658 1.00 0.00 N ATOM 660 CA GLY A 52 28.661 5.190 -8.715 1.00 0.00 C ATOM 661 C GLY A 52 28.804 6.609 -8.205 1.00 0.00 C ATOM 662 O GLY A 52 28.230 7.540 -8.771 1.00 0.00 O ATOM 0 H GLY A 52 28.878 4.559 -6.725 1.00 0.00 H new ATOM 0 HA2 GLY A 52 29.466 4.982 -9.420 1.00 0.00 H new ATOM 0 HA3 GLY A 52 27.724 5.102 -9.266 1.00 0.00 H new ATOM 666 N SER A 53 29.576 6.778 -7.143 1.00 0.00 N ATOM 667 CA SER A 53 29.805 8.096 -6.567 1.00 0.00 C ATOM 668 C SER A 53 31.292 8.429 -6.573 1.00 0.00 C ATOM 669 O SER A 53 31.945 8.440 -5.529 1.00 0.00 O ATOM 670 CB SER A 53 29.254 8.153 -5.142 1.00 0.00 C ATOM 671 OG SER A 53 28.371 9.249 -4.980 1.00 0.00 O ATOM 0 H SER A 53 30.056 6.018 -6.661 1.00 0.00 H new ATOM 0 HA SER A 53 29.283 8.836 -7.174 1.00 0.00 H new ATOM 0 HB2 SER A 53 28.731 7.224 -4.913 1.00 0.00 H new ATOM 0 HB3 SER A 53 30.078 8.238 -4.433 1.00 0.00 H new ATOM 0 HG SER A 53 28.031 9.262 -4.061 1.00 0.00 H new ATOM 677 N THR A 54 31.824 8.686 -7.761 1.00 0.00 N ATOM 678 CA THR A 54 33.240 8.994 -7.911 1.00 0.00 C ATOM 679 C THR A 54 34.093 7.813 -7.460 1.00 0.00 C ATOM 680 O THR A 54 35.245 7.983 -7.060 1.00 0.00 O ATOM 681 CB THR A 54 33.602 10.242 -7.103 1.00 0.00 C ATOM 682 OG1 THR A 54 33.872 9.903 -5.754 1.00 0.00 O ATOM 683 CG2 THR A 54 32.515 11.294 -7.106 1.00 0.00 C ATOM 0 H THR A 54 31.297 8.687 -8.634 1.00 0.00 H new ATOM 0 HA THR A 54 33.440 9.188 -8.965 1.00 0.00 H new ATOM 0 HB THR A 54 34.484 10.657 -7.590 1.00 0.00 H new ATOM 0 HG1 THR A 54 33.052 9.578 -5.328 1.00 0.00 H new ATOM 0 HG21 THR A 54 32.837 12.151 -6.515 1.00 0.00 H new ATOM 0 HG22 THR A 54 32.319 11.612 -8.130 1.00 0.00 H new ATOM 0 HG23 THR A 54 31.604 10.878 -6.675 1.00 0.00 H new ATOM 691 N GLY A 55 33.514 6.617 -7.520 1.00 0.00 N ATOM 692 CA GLY A 55 34.226 5.423 -7.107 1.00 0.00 C ATOM 693 C GLY A 55 33.769 4.915 -5.753 1.00 0.00 C ATOM 694 O GLY A 55 34.472 4.137 -5.106 1.00 0.00 O ATOM 0 H GLY A 55 32.562 6.455 -7.848 1.00 0.00 H new ATOM 0 HA2 GLY A 55 34.082 4.641 -7.853 1.00 0.00 H new ATOM 0 HA3 GLY A 55 35.295 5.635 -7.070 1.00 0.00 H new ATOM 698 N SER A 56 32.588 5.352 -5.321 1.00 0.00 N ATOM 699 CA SER A 56 32.044 4.931 -4.036 1.00 0.00 C ATOM 700 C SER A 56 30.766 4.124 -4.220 1.00 0.00 C ATOM 701 O SER A 56 30.136 4.165 -5.276 1.00 0.00 O ATOM 702 CB SER A 56 31.762 6.143 -3.150 1.00 0.00 C ATOM 703 OG SER A 56 30.996 5.778 -2.015 1.00 0.00 O ATOM 0 H SER A 56 31.992 5.996 -5.842 1.00 0.00 H new ATOM 0 HA SER A 56 32.789 4.299 -3.552 1.00 0.00 H new ATOM 0 HB2 SER A 56 32.703 6.590 -2.829 1.00 0.00 H new ATOM 0 HB3 SER A 56 31.229 6.901 -3.724 1.00 0.00 H new ATOM 0 HG SER A 56 30.831 6.571 -1.463 1.00 0.00 H new ATOM 709 N MET A 57 30.382 3.409 -3.171 1.00 0.00 N ATOM 710 CA MET A 57 29.197 2.572 -3.199 1.00 0.00 C ATOM 711 C MET A 57 27.951 3.354 -2.805 1.00 0.00 C ATOM 712 O MET A 57 27.965 4.149 -1.865 1.00 0.00 O ATOM 713 CB MET A 57 29.385 1.378 -2.266 1.00 0.00 C ATOM 714 CG MET A 57 30.768 0.762 -2.370 1.00 0.00 C ATOM 715 SD MET A 57 31.787 1.089 -0.919 1.00 0.00 S ATOM 716 CE MET A 57 33.328 0.316 -1.408 1.00 0.00 C ATOM 0 H MET A 57 30.882 3.395 -2.282 1.00 0.00 H new ATOM 0 HA MET A 57 29.057 2.218 -4.220 1.00 0.00 H new ATOM 0 HB2 MET A 57 29.210 1.695 -1.238 1.00 0.00 H new ATOM 0 HB3 MET A 57 28.636 0.620 -2.498 1.00 0.00 H new ATOM 0 HG2 MET A 57 30.672 -0.315 -2.506 1.00 0.00 H new ATOM 0 HG3 MET A 57 31.269 1.152 -3.256 1.00 0.00 H new ATOM 0 HE1 MET A 57 34.063 0.434 -0.612 1.00 0.00 H new ATOM 0 HE2 MET A 57 33.160 -0.745 -1.593 1.00 0.00 H new ATOM 0 HE3 MET A 57 33.700 0.788 -2.317 1.00 0.00 H new ATOM 726 N VAL A 58 26.879 3.109 -3.538 1.00 0.00 N ATOM 727 CA VAL A 58 25.601 3.765 -3.300 1.00 0.00 C ATOM 728 C VAL A 58 24.462 2.750 -3.354 1.00 0.00 C ATOM 729 O VAL A 58 24.696 1.551 -3.499 1.00 0.00 O ATOM 730 CB VAL A 58 25.347 4.869 -4.341 1.00 0.00 C ATOM 731 CG1 VAL A 58 26.231 6.076 -4.067 1.00 0.00 C ATOM 732 CG2 VAL A 58 25.585 4.332 -5.741 1.00 0.00 C ATOM 0 H VAL A 58 26.868 2.449 -4.316 1.00 0.00 H new ATOM 0 HA VAL A 58 25.639 4.216 -2.308 1.00 0.00 H new ATOM 0 HB VAL A 58 24.308 5.189 -4.266 1.00 0.00 H new ATOM 0 HG11 VAL A 58 26.037 6.846 -4.814 1.00 0.00 H new ATOM 0 HG12 VAL A 58 26.012 6.470 -3.074 1.00 0.00 H new ATOM 0 HG13 VAL A 58 27.278 5.779 -4.116 1.00 0.00 H new ATOM 0 HG21 VAL A 58 25.402 5.122 -6.470 1.00 0.00 H new ATOM 0 HG22 VAL A 58 26.616 3.989 -5.829 1.00 0.00 H new ATOM 0 HG23 VAL A 58 24.908 3.499 -5.931 1.00 0.00 H new ATOM 742 N TRP A 59 23.228 3.231 -3.245 1.00 0.00 N ATOM 743 CA TRP A 59 22.065 2.352 -3.292 1.00 0.00 C ATOM 744 C TRP A 59 21.047 2.847 -4.316 1.00 0.00 C ATOM 745 O TRP A 59 20.637 4.007 -4.288 1.00 0.00 O ATOM 746 CB TRP A 59 21.405 2.263 -1.914 1.00 0.00 C ATOM 747 CG TRP A 59 22.060 1.279 -0.991 1.00 0.00 C ATOM 748 CD1 TRP A 59 23.065 1.535 -0.105 1.00 0.00 C ATOM 749 CD2 TRP A 59 21.736 -0.109 -0.842 1.00 0.00 C ATOM 750 NE1 TRP A 59 23.393 0.391 0.581 1.00 0.00 N ATOM 751 CE2 TRP A 59 22.593 -0.633 0.145 1.00 0.00 C ATOM 752 CE3 TRP A 59 20.812 -0.964 -1.451 1.00 0.00 C ATOM 753 CZ2 TRP A 59 22.550 -1.969 0.534 1.00 0.00 C ATOM 754 CZ3 TRP A 59 20.771 -2.289 -1.061 1.00 0.00 C ATOM 755 CH2 TRP A 59 21.633 -2.778 -0.078 1.00 0.00 C ATOM 0 H TRP A 59 23.008 4.220 -3.124 1.00 0.00 H new ATOM 0 HA TRP A 59 22.408 1.361 -3.590 1.00 0.00 H new ATOM 0 HB2 TRP A 59 21.421 3.249 -1.449 1.00 0.00 H new ATOM 0 HB3 TRP A 59 20.358 1.987 -2.040 1.00 0.00 H new ATOM 0 HD1 TRP A 59 23.535 2.497 0.037 1.00 0.00 H new ATOM 0 HE1 TRP A 59 24.114 0.316 1.298 1.00 0.00 H new ATOM 0 HE3 TRP A 59 20.142 -0.595 -2.213 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 23.217 -2.353 1.292 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 20.060 -2.957 -1.524 1.00 0.00 H new ATOM 0 HH2 TRP A 59 21.574 -3.818 0.206 1.00 0.00 H new ATOM 766 N ASN A 60 20.630 1.954 -5.210 1.00 0.00 N ATOM 767 CA ASN A 60 19.635 2.293 -6.221 1.00 0.00 C ATOM 768 C ASN A 60 18.277 2.496 -5.566 1.00 0.00 C ATOM 769 O ASN A 60 18.099 2.117 -4.416 1.00 0.00 O ATOM 770 CB ASN A 60 19.551 1.190 -7.265 1.00 0.00 C ATOM 771 CG ASN A 60 20.343 1.504 -8.513 1.00 0.00 C ATOM 772 OD1 ASN A 60 19.945 1.144 -9.620 1.00 0.00 O ATOM 773 ND2 ASN A 60 21.463 2.189 -8.347 1.00 0.00 N ATOM 0 H ASN A 60 20.966 0.992 -5.254 1.00 0.00 H new ATOM 0 HA ASN A 60 19.933 3.219 -6.712 1.00 0.00 H new ATOM 0 HB2 ASN A 60 19.916 0.258 -6.833 1.00 0.00 H new ATOM 0 HB3 ASN A 60 18.507 1.029 -7.534 1.00 0.00 H new ATOM 0 HD21 ASN A 60 22.033 2.438 -9.155 1.00 0.00 H new ATOM 0 HD22 ASN A 60 21.756 2.468 -7.411 1.00 0.00 H new ATOM 780 N PRO A 61 17.317 3.112 -6.292 1.00 0.00 N ATOM 781 CA PRO A 61 15.966 3.412 -5.824 1.00 0.00 C ATOM 782 C PRO A 61 15.541 2.638 -4.579 1.00 0.00 C ATOM 783 O PRO A 61 15.149 1.475 -4.657 1.00 0.00 O ATOM 784 CB PRO A 61 15.144 3.016 -7.045 1.00 0.00 C ATOM 785 CG PRO A 61 16.039 3.302 -8.224 1.00 0.00 C ATOM 786 CD PRO A 61 17.439 3.528 -7.687 1.00 0.00 C ATOM 0 HA PRO A 61 15.852 4.446 -5.499 1.00 0.00 H new ATOM 0 HB2 PRO A 61 14.863 1.963 -7.008 1.00 0.00 H new ATOM 0 HB3 PRO A 61 14.219 3.590 -7.102 1.00 0.00 H new ATOM 0 HG2 PRO A 61 16.027 2.468 -8.926 1.00 0.00 H new ATOM 0 HG3 PRO A 61 15.690 4.180 -8.767 1.00 0.00 H new ATOM 0 HD2 PRO A 61 18.179 2.935 -8.223 1.00 0.00 H new ATOM 0 HD3 PRO A 61 17.743 4.571 -7.774 1.00 0.00 H new ATOM 794 N GLU A 62 15.623 3.307 -3.429 1.00 0.00 N ATOM 795 CA GLU A 62 15.295 2.689 -2.150 1.00 0.00 C ATOM 796 C GLU A 62 13.935 3.150 -1.631 1.00 0.00 C ATOM 797 O GLU A 62 12.943 2.440 -1.770 1.00 0.00 O ATOM 798 CB GLU A 62 16.375 2.989 -1.091 1.00 0.00 C ATOM 799 CG GLU A 62 17.535 3.853 -1.578 1.00 0.00 C ATOM 800 CD GLU A 62 18.808 3.621 -0.788 1.00 0.00 C ATOM 801 OE1 GLU A 62 18.931 2.547 -0.162 1.00 0.00 O ATOM 802 OE2 GLU A 62 19.682 4.513 -0.794 1.00 0.00 O ATOM 0 H GLU A 62 15.916 4.282 -3.360 1.00 0.00 H new ATOM 0 HA GLU A 62 15.254 1.614 -2.324 1.00 0.00 H new ATOM 0 HB2 GLU A 62 15.903 3.486 -0.243 1.00 0.00 H new ATOM 0 HB3 GLU A 62 16.775 2.044 -0.724 1.00 0.00 H new ATOM 0 HG2 GLU A 62 17.722 3.643 -2.631 1.00 0.00 H new ATOM 0 HG3 GLU A 62 17.255 4.904 -1.507 1.00 0.00 H new ATOM 809 N ALA A 63 13.912 4.322 -0.994 1.00 0.00 N ATOM 810 CA ALA A 63 12.695 4.849 -0.377 1.00 0.00 C ATOM 811 C ALA A 63 11.728 5.437 -1.401 1.00 0.00 C ATOM 812 O ALA A 63 11.941 6.541 -1.900 1.00 0.00 O ATOM 813 CB ALA A 63 13.055 5.903 0.659 1.00 0.00 C ATOM 0 H ALA A 63 14.727 4.926 -0.892 1.00 0.00 H new ATOM 0 HA ALA A 63 12.188 4.012 0.103 1.00 0.00 H new ATOM 0 HB1 ALA A 63 12.144 6.291 1.115 1.00 0.00 H new ATOM 0 HB2 ALA A 63 13.684 5.456 1.429 1.00 0.00 H new ATOM 0 HB3 ALA A 63 13.595 6.718 0.177 1.00 0.00 H new ATOM 819 N PRO A 64 10.609 4.740 -1.676 1.00 0.00 N ATOM 820 CA PRO A 64 9.586 5.202 -2.603 1.00 0.00 C ATOM 821 C PRO A 64 8.520 6.023 -1.883 1.00 0.00 C ATOM 822 O PRO A 64 8.776 6.576 -0.813 1.00 0.00 O ATOM 823 CB PRO A 64 8.988 3.888 -3.141 1.00 0.00 C ATOM 824 CG PRO A 64 9.629 2.786 -2.348 1.00 0.00 C ATOM 825 CD PRO A 64 10.238 3.432 -1.139 1.00 0.00 C ATOM 0 HA PRO A 64 9.981 5.852 -3.384 1.00 0.00 H new ATOM 0 HB2 PRO A 64 7.905 3.875 -3.022 1.00 0.00 H new ATOM 0 HB3 PRO A 64 9.193 3.773 -4.205 1.00 0.00 H new ATOM 0 HG2 PRO A 64 8.892 2.037 -2.058 1.00 0.00 H new ATOM 0 HG3 PRO A 64 10.389 2.274 -2.939 1.00 0.00 H new ATOM 0 HD2 PRO A 64 9.530 3.511 -0.314 1.00 0.00 H new ATOM 0 HD3 PRO A 64 11.101 2.879 -0.767 1.00 0.00 H new ATOM 833 N ILE A 65 7.319 6.081 -2.450 1.00 0.00 N ATOM 834 CA ILE A 65 6.226 6.817 -1.829 1.00 0.00 C ATOM 835 C ILE A 65 5.325 5.881 -1.034 1.00 0.00 C ATOM 836 O ILE A 65 5.393 4.662 -1.183 1.00 0.00 O ATOM 837 CB ILE A 65 5.374 7.562 -2.867 1.00 0.00 C ATOM 838 CG1 ILE A 65 6.257 8.122 -3.983 1.00 0.00 C ATOM 839 CG2 ILE A 65 4.583 8.674 -2.202 1.00 0.00 C ATOM 840 CD1 ILE A 65 7.094 9.308 -3.556 1.00 0.00 C ATOM 0 H ILE A 65 7.080 5.630 -3.333 1.00 0.00 H new ATOM 0 HA ILE A 65 6.682 7.548 -1.161 1.00 0.00 H new ATOM 0 HB ILE A 65 4.671 6.856 -3.309 1.00 0.00 H new ATOM 0 HG12 ILE A 65 6.917 7.333 -4.343 1.00 0.00 H new ATOM 0 HG13 ILE A 65 5.626 8.417 -4.821 1.00 0.00 H new ATOM 0 HG21 ILE A 65 3.984 9.193 -2.951 1.00 0.00 H new ATOM 0 HG22 ILE A 65 3.926 8.249 -1.443 1.00 0.00 H new ATOM 0 HG23 ILE A 65 5.270 9.380 -1.734 1.00 0.00 H new ATOM 0 HD11 ILE A 65 7.694 9.652 -4.398 1.00 0.00 H new ATOM 0 HD12 ILE A 65 6.440 10.114 -3.224 1.00 0.00 H new ATOM 0 HD13 ILE A 65 7.752 9.014 -2.738 1.00 0.00 H new ATOM 852 N CYS A 66 4.477 6.459 -0.195 1.00 0.00 N ATOM 853 CA CYS A 66 3.560 5.679 0.622 1.00 0.00 C ATOM 854 C CYS A 66 2.428 6.550 1.153 1.00 0.00 C ATOM 855 O CYS A 66 2.653 7.675 1.601 1.00 0.00 O ATOM 856 CB CYS A 66 4.308 5.034 1.787 1.00 0.00 C ATOM 857 SG CYS A 66 4.795 3.303 1.492 1.00 0.00 S ATOM 0 H CYS A 66 4.405 7.468 -0.063 1.00 0.00 H new ATOM 0 HA CYS A 66 3.130 4.898 -0.005 1.00 0.00 H new ATOM 0 HB2 CYS A 66 5.202 5.620 2.000 1.00 0.00 H new ATOM 0 HB3 CYS A 66 3.679 5.077 2.676 1.00 0.00 H new ATOM 862 N GLU A 67 1.211 6.022 1.103 1.00 0.00 N ATOM 863 CA GLU A 67 0.043 6.749 1.583 1.00 0.00 C ATOM 864 C GLU A 67 -1.066 5.784 1.986 1.00 0.00 C ATOM 865 O GLU A 67 -0.960 4.577 1.774 1.00 0.00 O ATOM 866 CB GLU A 67 -0.466 7.707 0.504 1.00 0.00 C ATOM 867 CG GLU A 67 -0.659 9.131 0.999 1.00 0.00 C ATOM 868 CD GLU A 67 0.218 10.128 0.268 1.00 0.00 C ATOM 869 OE1 GLU A 67 -0.334 11.047 -0.373 1.00 0.00 O ATOM 870 OE2 GLU A 67 1.458 9.990 0.336 1.00 0.00 O ATOM 0 H GLU A 67 1.008 5.093 0.735 1.00 0.00 H new ATOM 0 HA GLU A 67 0.338 7.325 2.460 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.239 7.712 -0.328 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.414 7.334 0.116 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.704 9.415 0.877 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -0.439 9.173 2.066 1.00 0.00 H new ATOM 877 N SER A 68 -2.129 6.325 2.570 1.00 0.00 N ATOM 878 CA SER A 68 -3.258 5.512 3.002 1.00 0.00 C ATOM 879 C SER A 68 -4.187 5.204 1.835 1.00 0.00 C ATOM 880 O SER A 68 -4.843 6.095 1.294 1.00 0.00 O ATOM 881 CB SER A 68 -4.029 6.222 4.116 1.00 0.00 C ATOM 882 OG SER A 68 -4.534 7.470 3.672 1.00 0.00 O ATOM 0 H SER A 68 -2.232 7.323 2.755 1.00 0.00 H new ATOM 0 HA SER A 68 -2.868 4.569 3.386 1.00 0.00 H new ATOM 0 HB2 SER A 68 -4.852 5.592 4.451 1.00 0.00 H new ATOM 0 HB3 SER A 68 -3.375 6.375 4.974 1.00 0.00 H new ATOM 0 HG SER A 68 -4.766 7.410 2.722 1.00 0.00 H new ATOM 888 N VAL A 69 -4.236 3.932 1.458 1.00 0.00 N ATOM 889 CA VAL A 69 -5.080 3.477 0.359 1.00 0.00 C ATOM 890 C VAL A 69 -6.477 4.089 0.438 1.00 0.00 C ATOM 891 O VAL A 69 -7.340 3.603 1.169 1.00 0.00 O ATOM 892 CB VAL A 69 -5.205 1.947 0.366 1.00 0.00 C ATOM 893 CG1 VAL A 69 -5.713 1.476 1.715 1.00 0.00 C ATOM 894 CG2 VAL A 69 -3.873 1.295 0.036 1.00 0.00 C ATOM 0 H VAL A 69 -3.695 3.190 1.902 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.603 3.801 -0.566 1.00 0.00 H new ATOM 0 HB VAL A 69 -5.921 1.652 -0.401 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -5.799 0.389 1.712 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.015 1.783 2.494 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -6.691 1.917 1.910 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -3.986 0.211 0.047 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -3.546 1.616 -0.953 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -3.130 1.590 0.777 1.00 0.00 H new ATOM 904 N LYS A 70 -6.690 5.158 -0.319 1.00 0.00 N ATOM 905 CA LYS A 70 -7.974 5.851 -0.321 1.00 0.00 C ATOM 906 C LYS A 70 -9.001 5.130 -1.191 1.00 0.00 C ATOM 907 O LYS A 70 -8.752 4.853 -2.365 1.00 0.00 O ATOM 908 CB LYS A 70 -7.797 7.287 -0.820 1.00 0.00 C ATOM 909 CG LYS A 70 -7.592 8.298 0.295 1.00 0.00 C ATOM 910 CD LYS A 70 -8.913 8.882 0.766 1.00 0.00 C ATOM 911 CE LYS A 70 -8.724 9.785 1.974 1.00 0.00 C ATOM 912 NZ LYS A 70 -8.272 11.148 1.581 1.00 0.00 N ATOM 0 H LYS A 70 -5.990 5.565 -0.940 1.00 0.00 H new ATOM 0 HA LYS A 70 -8.344 5.861 0.704 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -6.942 7.325 -1.495 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -8.675 7.572 -1.400 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -7.085 7.819 1.133 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -6.942 9.100 -0.055 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -9.371 9.448 -0.045 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -9.600 8.074 1.018 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -9.662 9.858 2.524 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -7.993 9.340 2.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -8.155 11.734 2.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -7.364 11.081 1.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -8.982 11.583 0.957 1.00 0.00 H new ATOM 926 N CYS A 71 -10.166 4.853 -0.612 1.00 0.00 N ATOM 927 CA CYS A 71 -11.253 4.199 -1.335 1.00 0.00 C ATOM 928 C CYS A 71 -12.424 5.159 -1.490 1.00 0.00 C ATOM 929 O CYS A 71 -12.997 5.612 -0.502 1.00 0.00 O ATOM 930 CB CYS A 71 -11.731 2.925 -0.617 1.00 0.00 C ATOM 931 SG CYS A 71 -10.676 2.352 0.760 1.00 0.00 S ATOM 0 H CYS A 71 -10.382 5.072 0.360 1.00 0.00 H new ATOM 0 HA CYS A 71 -10.871 3.914 -2.315 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -12.735 3.101 -0.232 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -11.807 2.123 -1.351 1.00 0.00 H new ATOM 936 N GLN A 72 -12.792 5.451 -2.729 1.00 0.00 N ATOM 937 CA GLN A 72 -13.887 6.374 -2.990 1.00 0.00 C ATOM 938 C GLN A 72 -15.217 5.765 -2.557 1.00 0.00 C ATOM 939 O GLN A 72 -15.252 4.843 -1.742 1.00 0.00 O ATOM 940 CB GLN A 72 -13.919 6.753 -4.476 1.00 0.00 C ATOM 941 CG GLN A 72 -14.564 5.705 -5.373 1.00 0.00 C ATOM 942 CD GLN A 72 -13.672 5.296 -6.529 1.00 0.00 C ATOM 943 OE1 GLN A 72 -13.866 5.735 -7.663 1.00 0.00 O ATOM 944 NE2 GLN A 72 -12.687 4.452 -6.246 1.00 0.00 N ATOM 0 H GLN A 72 -12.352 5.065 -3.564 1.00 0.00 H new ATOM 0 HA GLN A 72 -13.725 7.281 -2.407 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -14.459 7.693 -4.588 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -12.899 6.929 -4.817 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -14.808 4.825 -4.779 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -15.503 6.096 -5.765 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -12.564 4.114 -5.292 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -12.054 4.142 -6.983 1.00 0.00 H new ATOM 953 N SER A 73 -16.311 6.288 -3.099 1.00 0.00 N ATOM 954 CA SER A 73 -17.640 5.793 -2.762 1.00 0.00 C ATOM 955 C SER A 73 -17.694 4.270 -2.864 1.00 0.00 C ATOM 956 O SER A 73 -17.139 3.684 -3.794 1.00 0.00 O ATOM 957 CB SER A 73 -18.683 6.415 -3.691 1.00 0.00 C ATOM 958 OG SER A 73 -19.834 5.596 -3.787 1.00 0.00 O ATOM 0 H SER A 73 -16.304 7.054 -3.773 1.00 0.00 H new ATOM 0 HA SER A 73 -17.861 6.078 -1.733 1.00 0.00 H new ATOM 0 HB2 SER A 73 -18.964 7.400 -3.319 1.00 0.00 H new ATOM 0 HB3 SER A 73 -18.252 6.559 -4.682 1.00 0.00 H new ATOM 0 HG SER A 73 -20.579 6.023 -3.315 1.00 0.00 H new ATOM 964 N PRO A 74 -18.347 3.602 -1.897 1.00 0.00 N ATOM 965 CA PRO A 74 -18.457 2.142 -1.896 1.00 0.00 C ATOM 966 C PRO A 74 -19.095 1.626 -3.183 1.00 0.00 C ATOM 967 O PRO A 74 -19.717 2.386 -3.924 1.00 0.00 O ATOM 968 CB PRO A 74 -19.339 1.834 -0.679 1.00 0.00 C ATOM 969 CG PRO A 74 -19.256 3.051 0.181 1.00 0.00 C ATOM 970 CD PRO A 74 -19.039 4.212 -0.750 1.00 0.00 C ATOM 0 HA PRO A 74 -17.483 1.656 -1.842 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -20.367 1.633 -0.979 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -18.983 0.951 -0.148 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -20.171 3.182 0.759 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -18.437 2.967 0.895 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -19.982 4.671 -1.047 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -18.437 4.993 -0.286 1.00 0.00 H new ATOM 978 N PRO A 75 -18.918 0.329 -3.484 1.00 0.00 N ATOM 979 CA PRO A 75 -19.464 -0.283 -4.696 1.00 0.00 C ATOM 980 C PRO A 75 -20.865 0.218 -5.031 1.00 0.00 C ATOM 981 O PRO A 75 -21.589 0.700 -4.159 1.00 0.00 O ATOM 982 CB PRO A 75 -19.492 -1.764 -4.338 1.00 0.00 C ATOM 983 CG PRO A 75 -18.335 -1.945 -3.415 1.00 0.00 C ATOM 984 CD PRO A 75 -18.183 -0.648 -2.659 1.00 0.00 C ATOM 0 HA PRO A 75 -18.873 -0.047 -5.581 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -20.431 -2.039 -3.857 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -19.394 -2.389 -5.225 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -18.511 -2.775 -2.730 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -17.427 -2.178 -3.972 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -18.602 -0.719 -1.655 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -17.135 -0.370 -2.548 1.00 0.00 H new ATOM 992 N SER A 76 -21.238 0.104 -6.301 1.00 0.00 N ATOM 993 CA SER A 76 -22.553 0.539 -6.756 1.00 0.00 C ATOM 994 C SER A 76 -23.432 -0.662 -7.086 1.00 0.00 C ATOM 995 O SER A 76 -23.465 -1.127 -8.225 1.00 0.00 O ATOM 996 CB SER A 76 -22.420 1.441 -7.984 1.00 0.00 C ATOM 997 OG SER A 76 -21.908 2.714 -7.630 1.00 0.00 O ATOM 0 H SER A 76 -20.647 -0.287 -7.035 1.00 0.00 H new ATOM 0 HA SER A 76 -23.022 1.104 -5.951 1.00 0.00 H new ATOM 0 HB2 SER A 76 -21.761 0.971 -8.714 1.00 0.00 H new ATOM 0 HB3 SER A 76 -23.393 1.557 -8.461 1.00 0.00 H new ATOM 0 HG SER A 76 -21.831 3.271 -8.433 1.00 0.00 H new ATOM 1003 N ILE A 77 -24.137 -1.165 -6.078 1.00 0.00 N ATOM 1004 CA ILE A 77 -25.006 -2.321 -6.255 1.00 0.00 C ATOM 1005 C ILE A 77 -26.229 -1.971 -7.096 1.00 0.00 C ATOM 1006 O ILE A 77 -26.369 -0.843 -7.568 1.00 0.00 O ATOM 1007 CB ILE A 77 -25.466 -2.888 -4.898 1.00 0.00 C ATOM 1008 CG1 ILE A 77 -26.361 -1.883 -4.165 1.00 0.00 C ATOM 1009 CG2 ILE A 77 -24.260 -3.251 -4.046 1.00 0.00 C ATOM 1010 CD1 ILE A 77 -27.271 -2.523 -3.138 1.00 0.00 C ATOM 0 H ILE A 77 -24.123 -0.789 -5.130 1.00 0.00 H new ATOM 0 HA ILE A 77 -24.422 -3.079 -6.777 1.00 0.00 H new ATOM 0 HB ILE A 77 -26.050 -3.791 -5.080 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -25.733 -1.142 -3.671 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -26.969 -1.349 -4.896 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -24.597 -3.651 -3.090 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -23.662 -4.002 -4.563 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -23.655 -2.361 -3.874 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -27.876 -1.754 -2.658 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -27.924 -3.244 -3.630 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -26.669 -3.033 -2.386 1.00 0.00 H new ATOM 1022 N SER A 78 -27.112 -2.947 -7.277 1.00 0.00 N ATOM 1023 CA SER A 78 -28.327 -2.742 -8.054 1.00 0.00 C ATOM 1024 C SER A 78 -29.535 -2.588 -7.138 1.00 0.00 C ATOM 1025 O SER A 78 -29.588 -3.181 -6.062 1.00 0.00 O ATOM 1026 CB SER A 78 -28.548 -3.914 -9.014 1.00 0.00 C ATOM 1027 OG SER A 78 -27.322 -4.357 -9.571 1.00 0.00 O ATOM 0 H SER A 78 -27.008 -3.887 -6.896 1.00 0.00 H new ATOM 0 HA SER A 78 -28.210 -1.825 -8.632 1.00 0.00 H new ATOM 0 HB2 SER A 78 -29.028 -4.737 -8.484 1.00 0.00 H new ATOM 0 HB3 SER A 78 -29.225 -3.611 -9.813 1.00 0.00 H new ATOM 0 HG SER A 78 -27.491 -5.107 -10.179 1.00 0.00 H new ATOM 1033 N ASN A 79 -30.498 -1.781 -7.567 1.00 0.00 N ATOM 1034 CA ASN A 79 -31.706 -1.554 -6.789 1.00 0.00 C ATOM 1035 C ASN A 79 -31.371 -1.159 -5.355 1.00 0.00 C ATOM 1036 O ASN A 79 -32.137 -1.435 -4.432 1.00 0.00 O ATOM 1037 CB ASN A 79 -32.574 -2.811 -6.790 1.00 0.00 C ATOM 1038 CG ASN A 79 -32.735 -3.403 -8.174 1.00 0.00 C ATOM 1039 OD1 ASN A 79 -33.357 -2.802 -9.051 1.00 0.00 O ATOM 1040 ND2 ASN A 79 -32.182 -4.591 -8.376 1.00 0.00 N ATOM 0 H ASN A 79 -30.464 -1.273 -8.451 1.00 0.00 H new ATOM 0 HA ASN A 79 -32.255 -0.734 -7.251 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -32.130 -3.556 -6.129 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -33.557 -2.570 -6.385 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -32.263 -5.043 -9.287 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -31.676 -5.053 -7.621 1.00 0.00 H new ATOM 1047 N GLY A 80 -30.229 -0.505 -5.175 1.00 0.00 N ATOM 1048 CA GLY A 80 -29.826 -0.083 -3.846 1.00 0.00 C ATOM 1049 C GLY A 80 -28.790 1.022 -3.862 1.00 0.00 C ATOM 1050 O GLY A 80 -28.575 1.671 -4.886 1.00 0.00 O ATOM 0 H GLY A 80 -29.578 -0.260 -5.921 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -30.704 0.258 -3.298 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -29.426 -0.940 -3.305 1.00 0.00 H new ATOM 1054 N ARG A 81 -28.159 1.244 -2.714 1.00 0.00 N ATOM 1055 CA ARG A 81 -27.147 2.281 -2.576 1.00 0.00 C ATOM 1056 C ARG A 81 -26.331 2.063 -1.310 1.00 0.00 C ATOM 1057 O ARG A 81 -26.507 1.066 -0.609 1.00 0.00 O ATOM 1058 CB ARG A 81 -27.797 3.667 -2.552 1.00 0.00 C ATOM 1059 CG ARG A 81 -29.165 3.702 -1.888 1.00 0.00 C ATOM 1060 CD ARG A 81 -29.973 4.904 -2.348 1.00 0.00 C ATOM 1061 NE ARG A 81 -30.588 5.617 -1.231 1.00 0.00 N ATOM 1062 CZ ARG A 81 -29.927 6.456 -0.439 1.00 0.00 C ATOM 1063 NH1 ARG A 81 -30.557 7.067 0.555 1.00 0.00 N ATOM 1064 NH2 ARG A 81 -28.636 6.682 -0.639 1.00 0.00 N ATOM 0 H ARG A 81 -28.334 0.714 -1.860 1.00 0.00 H new ATOM 0 HA ARG A 81 -26.480 2.224 -3.436 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -27.135 4.358 -2.030 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -27.893 4.029 -3.576 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -29.708 2.786 -2.121 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -29.045 3.735 -0.805 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -29.325 5.586 -2.899 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -30.750 4.575 -3.038 1.00 0.00 H new ATOM 0 HE ARG A 81 -31.580 5.463 -1.049 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -31.550 6.894 0.713 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -30.049 7.710 1.162 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -28.148 6.212 -1.401 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -28.131 7.326 -0.030 1.00 0.00 H new ATOM 1078 N HIS A 82 -25.438 2.999 -1.023 1.00 0.00 N ATOM 1079 CA HIS A 82 -24.580 2.895 0.150 1.00 0.00 C ATOM 1080 C HIS A 82 -24.778 4.075 1.098 1.00 0.00 C ATOM 1081 O HIS A 82 -25.380 5.085 0.734 1.00 0.00 O ATOM 1082 CB HIS A 82 -23.115 2.811 -0.276 1.00 0.00 C ATOM 1083 CG HIS A 82 -22.764 3.736 -1.400 1.00 0.00 C ATOM 1084 ND1 HIS A 82 -22.413 3.290 -2.658 1.00 0.00 N ATOM 1085 CD2 HIS A 82 -22.716 5.088 -1.455 1.00 0.00 C ATOM 1086 CE1 HIS A 82 -22.163 4.328 -3.436 1.00 0.00 C ATOM 1087 NE2 HIS A 82 -22.339 5.429 -2.731 1.00 0.00 N ATOM 0 H HIS A 82 -25.288 3.837 -1.584 1.00 0.00 H new ATOM 0 HA HIS A 82 -24.857 1.986 0.683 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -22.482 3.038 0.582 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -22.890 1.787 -0.575 1.00 0.00 H new ATOM 0 HD1 HIS A 82 -22.356 2.312 -2.942 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -22.933 5.771 -0.647 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -21.865 4.283 -4.473 1.00 0.00 H new ATOM 1096 N ASN A 83 -24.263 3.933 2.316 1.00 0.00 N ATOM 1097 CA ASN A 83 -24.373 4.978 3.329 1.00 0.00 C ATOM 1098 C ASN A 83 -23.094 5.813 3.381 1.00 0.00 C ATOM 1099 O ASN A 83 -22.224 5.680 2.520 1.00 0.00 O ATOM 1100 CB ASN A 83 -24.661 4.349 4.695 1.00 0.00 C ATOM 1101 CG ASN A 83 -26.113 3.943 4.850 1.00 0.00 C ATOM 1102 OD1 ASN A 83 -26.915 4.099 3.930 1.00 0.00 O ATOM 1103 ND2 ASN A 83 -26.457 3.416 6.019 1.00 0.00 N ATOM 0 H ASN A 83 -23.763 3.100 2.626 1.00 0.00 H new ATOM 0 HA ASN A 83 -25.198 5.639 3.065 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -24.026 3.474 4.830 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -24.399 5.058 5.481 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -27.420 3.122 6.182 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -25.758 3.305 6.754 1.00 0.00 H new ATOM 1110 N GLY A 84 -22.983 6.678 4.388 1.00 0.00 N ATOM 1111 CA GLY A 84 -21.814 7.531 4.502 1.00 0.00 C ATOM 1112 C GLY A 84 -22.011 8.848 3.788 1.00 0.00 C ATOM 1113 O GLY A 84 -22.157 9.892 4.421 1.00 0.00 O ATOM 0 H GLY A 84 -23.679 6.802 5.123 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -21.600 7.716 5.555 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -20.947 7.018 4.086 1.00 0.00 H new ATOM 1117 N TYR A 85 -22.065 8.771 2.465 1.00 0.00 N ATOM 1118 CA TYR A 85 -22.261 9.908 1.612 1.00 0.00 C ATOM 1119 C TYR A 85 -21.021 10.771 1.601 1.00 0.00 C ATOM 1120 O TYR A 85 -21.086 11.982 1.393 1.00 0.00 O ATOM 1121 CB TYR A 85 -23.469 10.685 2.071 1.00 0.00 C ATOM 1122 CG TYR A 85 -24.736 9.862 2.152 1.00 0.00 C ATOM 1123 CD1 TYR A 85 -24.913 8.737 1.355 1.00 0.00 C ATOM 1124 CD2 TYR A 85 -25.752 10.205 3.034 1.00 0.00 C ATOM 1125 CE1 TYR A 85 -26.067 7.982 1.433 1.00 0.00 C ATOM 1126 CE2 TYR A 85 -26.910 9.455 3.117 1.00 0.00 C ATOM 1127 CZ TYR A 85 -27.062 8.345 2.315 1.00 0.00 C ATOM 1128 OH TYR A 85 -28.213 7.596 2.395 1.00 0.00 O ATOM 0 H TYR A 85 -21.970 7.892 1.956 1.00 0.00 H new ATOM 0 HA TYR A 85 -22.440 9.571 0.591 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -23.262 11.112 3.052 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -23.633 11.519 1.388 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -24.135 8.448 0.663 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -25.635 11.073 3.666 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -26.189 7.111 0.806 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -27.692 9.738 3.807 1.00 0.00 H new ATOM 0 HH TYR A 85 -28.812 7.987 3.066 1.00 0.00 H new ATOM 1138 N GLU A 86 -19.886 10.125 1.817 1.00 0.00 N ATOM 1139 CA GLU A 86 -18.622 10.809 1.807 1.00 0.00 C ATOM 1140 C GLU A 86 -18.075 10.866 0.389 1.00 0.00 C ATOM 1141 O GLU A 86 -18.749 10.467 -0.560 1.00 0.00 O ATOM 1142 CB GLU A 86 -17.628 10.104 2.730 1.00 0.00 C ATOM 1143 CG GLU A 86 -17.527 10.734 4.108 1.00 0.00 C ATOM 1144 CD GLU A 86 -16.110 11.141 4.463 1.00 0.00 C ATOM 1145 OE1 GLU A 86 -15.690 10.890 5.612 1.00 0.00 O ATOM 1146 OE2 GLU A 86 -15.421 11.711 3.591 1.00 0.00 O ATOM 0 H GLU A 86 -19.824 9.124 2.001 1.00 0.00 H new ATOM 0 HA GLU A 86 -18.769 11.826 2.171 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -17.922 9.060 2.838 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -16.643 10.111 2.263 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -18.174 11.610 4.151 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -17.896 10.029 4.853 1.00 0.00 H new ATOM 1153 N ASP A 87 -16.852 11.348 0.248 1.00 0.00 N ATOM 1154 CA ASP A 87 -16.223 11.427 -1.060 1.00 0.00 C ATOM 1155 C ASP A 87 -15.062 10.449 -1.162 1.00 0.00 C ATOM 1156 O ASP A 87 -14.680 10.036 -2.257 1.00 0.00 O ATOM 1157 CB ASP A 87 -15.737 12.850 -1.338 1.00 0.00 C ATOM 1158 CG ASP A 87 -16.873 13.792 -1.686 1.00 0.00 C ATOM 1159 OD1 ASP A 87 -16.668 14.680 -2.540 1.00 0.00 O ATOM 1160 OD2 ASP A 87 -17.968 13.643 -1.103 1.00 0.00 O ATOM 0 H ASP A 87 -16.277 11.689 1.018 1.00 0.00 H new ATOM 0 HA ASP A 87 -16.968 11.159 -1.809 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -15.210 13.229 -0.462 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -15.019 12.832 -2.158 1.00 0.00 H new ATOM 1165 N PHE A 88 -14.517 10.068 -0.014 1.00 0.00 N ATOM 1166 CA PHE A 88 -13.402 9.144 0.025 1.00 0.00 C ATOM 1167 C PHE A 88 -13.366 8.388 1.346 1.00 0.00 C ATOM 1168 O PHE A 88 -13.968 8.807 2.335 1.00 0.00 O ATOM 1169 CB PHE A 88 -12.095 9.902 -0.173 1.00 0.00 C ATOM 1170 CG PHE A 88 -11.682 10.017 -1.607 1.00 0.00 C ATOM 1171 CD1 PHE A 88 -12.010 11.139 -2.348 1.00 0.00 C ATOM 1172 CD2 PHE A 88 -10.967 9.001 -2.214 1.00 0.00 C ATOM 1173 CE1 PHE A 88 -11.631 11.246 -3.670 1.00 0.00 C ATOM 1174 CE2 PHE A 88 -10.584 9.100 -3.534 1.00 0.00 C ATOM 1175 CZ PHE A 88 -10.916 10.224 -4.266 1.00 0.00 C ATOM 0 H PHE A 88 -14.833 10.388 0.902 1.00 0.00 H new ATOM 0 HA PHE A 88 -13.529 8.420 -0.780 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -12.197 10.902 0.249 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -11.305 9.400 0.385 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -12.569 11.940 -1.886 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -10.706 8.120 -1.647 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -11.892 12.126 -4.238 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -10.025 8.300 -3.996 1.00 0.00 H new ATOM 0 HZ PHE A 88 -10.618 10.304 -5.301 1.00 0.00 H new ATOM 1185 N TYR A 89 -12.660 7.268 1.349 1.00 0.00 N ATOM 1186 CA TYR A 89 -12.525 6.442 2.540 1.00 0.00 C ATOM 1187 C TYR A 89 -11.110 5.882 2.626 1.00 0.00 C ATOM 1188 O TYR A 89 -10.343 5.972 1.667 1.00 0.00 O ATOM 1189 CB TYR A 89 -13.558 5.310 2.524 1.00 0.00 C ATOM 1190 CG TYR A 89 -14.992 5.799 2.471 1.00 0.00 C ATOM 1191 CD1 TYR A 89 -15.829 5.664 3.572 1.00 0.00 C ATOM 1192 CD2 TYR A 89 -15.506 6.401 1.326 1.00 0.00 C ATOM 1193 CE1 TYR A 89 -17.138 6.110 3.533 1.00 0.00 C ATOM 1194 CE2 TYR A 89 -16.817 6.850 1.281 1.00 0.00 C ATOM 1195 CZ TYR A 89 -17.625 6.701 2.387 1.00 0.00 C ATOM 1196 OH TYR A 89 -18.927 7.146 2.347 1.00 0.00 O ATOM 0 H TYR A 89 -12.167 6.907 0.532 1.00 0.00 H new ATOM 0 HA TYR A 89 -12.709 7.057 3.421 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -13.369 4.669 1.663 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -13.425 4.695 3.414 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -15.451 5.203 4.473 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -14.873 6.520 0.459 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -17.776 5.996 4.397 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -17.202 7.314 0.385 1.00 0.00 H new ATOM 0 HH TYR A 89 -19.316 6.940 1.471 1.00 0.00 H new ATOM 1206 N THR A 90 -10.751 5.335 3.780 1.00 0.00 N ATOM 1207 CA THR A 90 -9.403 4.811 3.975 1.00 0.00 C ATOM 1208 C THR A 90 -9.416 3.409 4.571 1.00 0.00 C ATOM 1209 O THR A 90 -10.474 2.841 4.837 1.00 0.00 O ATOM 1210 CB THR A 90 -8.601 5.749 4.878 1.00 0.00 C ATOM 1211 OG1 THR A 90 -9.382 6.170 5.983 1.00 0.00 O ATOM 1212 CG2 THR A 90 -8.105 6.986 4.165 1.00 0.00 C ATOM 0 H THR A 90 -11.366 5.242 4.588 1.00 0.00 H new ATOM 0 HA THR A 90 -8.931 4.751 2.994 1.00 0.00 H new ATOM 0 HB THR A 90 -7.738 5.169 5.204 1.00 0.00 H new ATOM 0 HG1 THR A 90 -8.851 6.768 6.550 1.00 0.00 H new ATOM 0 HG21 THR A 90 -7.544 7.608 4.863 1.00 0.00 H new ATOM 0 HG22 THR A 90 -7.458 6.694 3.338 1.00 0.00 H new ATOM 0 HG23 THR A 90 -8.955 7.549 3.780 1.00 0.00 H new ATOM 1220 N ASP A 91 -8.221 2.859 4.772 1.00 0.00 N ATOM 1221 CA ASP A 91 -8.071 1.528 5.336 1.00 0.00 C ATOM 1222 C ASP A 91 -8.616 1.475 6.750 1.00 0.00 C ATOM 1223 O ASP A 91 -7.935 1.833 7.711 1.00 0.00 O ATOM 1224 CB ASP A 91 -6.602 1.106 5.329 1.00 0.00 C ATOM 1225 CG ASP A 91 -5.691 2.175 5.900 1.00 0.00 C ATOM 1226 OD1 ASP A 91 -5.621 3.273 5.309 1.00 0.00 O ATOM 1227 OD2 ASP A 91 -5.049 1.915 6.940 1.00 0.00 O ATOM 0 H ASP A 91 -7.339 3.321 4.550 1.00 0.00 H new ATOM 0 HA ASP A 91 -8.642 0.835 4.718 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -6.488 0.189 5.906 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -6.297 0.880 4.307 1.00 0.00 H new ATOM 1232 N GLY A 92 -9.854 1.031 6.861 1.00 0.00 N ATOM 1233 CA GLY A 92 -10.486 0.914 8.156 1.00 0.00 C ATOM 1234 C GLY A 92 -11.821 1.630 8.235 1.00 0.00 C ATOM 1235 O GLY A 92 -12.347 1.847 9.327 1.00 0.00 O ATOM 0 H GLY A 92 -10.437 0.748 6.073 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -10.632 -0.141 8.388 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -9.818 1.318 8.917 1.00 0.00 H new ATOM 1239 N SER A 93 -12.375 2.000 7.083 1.00 0.00 N ATOM 1240 CA SER A 93 -13.667 2.675 7.050 1.00 0.00 C ATOM 1241 C SER A 93 -14.786 1.666 6.833 1.00 0.00 C ATOM 1242 O SER A 93 -14.557 0.576 6.312 1.00 0.00 O ATOM 1243 CB SER A 93 -13.694 3.738 5.948 1.00 0.00 C ATOM 1244 OG SER A 93 -12.383 4.136 5.589 1.00 0.00 O ATOM 0 H SER A 93 -11.953 1.845 6.168 1.00 0.00 H new ATOM 0 HA SER A 93 -13.820 3.168 8.010 1.00 0.00 H new ATOM 0 HB2 SER A 93 -14.210 3.345 5.072 1.00 0.00 H new ATOM 0 HB3 SER A 93 -14.260 4.605 6.289 1.00 0.00 H new ATOM 0 HG SER A 93 -11.973 3.444 5.030 1.00 0.00 H new ATOM 1250 N VAL A 94 -15.994 2.027 7.248 1.00 0.00 N ATOM 1251 CA VAL A 94 -17.138 1.141 7.104 1.00 0.00 C ATOM 1252 C VAL A 94 -18.354 1.896 6.583 1.00 0.00 C ATOM 1253 O VAL A 94 -18.507 3.095 6.815 1.00 0.00 O ATOM 1254 CB VAL A 94 -17.484 0.453 8.440 1.00 0.00 C ATOM 1255 CG1 VAL A 94 -16.326 -0.418 8.894 1.00 0.00 C ATOM 1256 CG2 VAL A 94 -18.758 -0.372 8.319 1.00 0.00 C ATOM 0 H VAL A 94 -16.205 2.924 7.685 1.00 0.00 H new ATOM 0 HA VAL A 94 -16.864 0.375 6.379 1.00 0.00 H new ATOM 0 HB VAL A 94 -17.658 1.227 9.188 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -16.581 -0.899 9.838 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -16.127 -1.180 8.141 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -15.438 0.199 9.029 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -18.977 -0.845 9.276 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -19.587 0.278 8.037 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -18.623 -1.140 7.557 1.00 0.00 H new ATOM 1266 N VAL A 95 -19.217 1.176 5.878 1.00 0.00 N ATOM 1267 CA VAL A 95 -20.425 1.761 5.318 1.00 0.00 C ATOM 1268 C VAL A 95 -21.548 0.738 5.255 1.00 0.00 C ATOM 1269 O VAL A 95 -21.313 -0.448 5.023 1.00 0.00 O ATOM 1270 CB VAL A 95 -20.178 2.315 3.905 1.00 0.00 C ATOM 1271 CG1 VAL A 95 -21.357 3.149 3.438 1.00 0.00 C ATOM 1272 CG2 VAL A 95 -18.898 3.132 3.871 1.00 0.00 C ATOM 0 H VAL A 95 -19.101 0.182 5.681 1.00 0.00 H new ATOM 0 HA VAL A 95 -20.714 2.580 5.977 1.00 0.00 H new ATOM 0 HB VAL A 95 -20.068 1.472 3.222 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -21.159 3.530 2.436 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -22.255 2.532 3.421 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -21.505 3.985 4.122 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -18.738 3.517 2.864 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -18.980 3.965 4.569 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -18.056 2.501 4.156 1.00 0.00 H new ATOM 1282 N THR A 96 -22.769 1.207 5.462 1.00 0.00 N ATOM 1283 CA THR A 96 -23.939 0.343 5.417 1.00 0.00 C ATOM 1284 C THR A 96 -24.728 0.575 4.137 1.00 0.00 C ATOM 1285 O THR A 96 -25.056 1.710 3.792 1.00 0.00 O ATOM 1286 CB THR A 96 -24.830 0.586 6.636 1.00 0.00 C ATOM 1287 OG1 THR A 96 -24.454 1.780 7.301 1.00 0.00 O ATOM 1288 CG2 THR A 96 -24.779 -0.540 7.644 1.00 0.00 C ATOM 0 H THR A 96 -22.976 2.185 5.664 1.00 0.00 H new ATOM 0 HA THR A 96 -23.599 -0.693 5.432 1.00 0.00 H new ATOM 0 HB THR A 96 -25.845 0.656 6.246 1.00 0.00 H new ATOM 0 HG1 THR A 96 -25.036 1.920 8.077 1.00 0.00 H new ATOM 0 HG21 THR A 96 -25.433 -0.306 8.484 1.00 0.00 H new ATOM 0 HG22 THR A 96 -25.111 -1.465 7.173 1.00 0.00 H new ATOM 0 HG23 THR A 96 -23.757 -0.661 8.002 1.00 0.00 H new ATOM 1296 N TYR A 97 -25.018 -0.509 3.429 1.00 0.00 N ATOM 1297 CA TYR A 97 -25.754 -0.429 2.175 1.00 0.00 C ATOM 1298 C TYR A 97 -27.255 -0.510 2.413 1.00 0.00 C ATOM 1299 O TYR A 97 -27.707 -1.032 3.432 1.00 0.00 O ATOM 1300 CB TYR A 97 -25.319 -1.553 1.239 1.00 0.00 C ATOM 1301 CG TYR A 97 -24.107 -1.219 0.405 1.00 0.00 C ATOM 1302 CD1 TYR A 97 -22.938 -0.756 0.995 1.00 0.00 C ATOM 1303 CD2 TYR A 97 -24.126 -1.389 -0.972 1.00 0.00 C ATOM 1304 CE1 TYR A 97 -21.828 -0.459 0.233 1.00 0.00 C ATOM 1305 CE2 TYR A 97 -23.017 -1.096 -1.739 1.00 0.00 C ATOM 1306 CZ TYR A 97 -21.870 -0.635 -1.131 1.00 0.00 C ATOM 1307 OH TYR A 97 -20.766 -0.340 -1.893 1.00 0.00 O ATOM 0 H TYR A 97 -24.754 -1.455 3.703 1.00 0.00 H new ATOM 0 HA TYR A 97 -25.531 0.533 1.715 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -25.107 -2.444 1.831 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -26.147 -1.801 0.575 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -22.898 -0.627 2.066 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -25.022 -1.756 -1.450 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -20.929 -0.090 0.705 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -23.048 -1.227 -2.811 1.00 0.00 H new ATOM 0 HH TYR A 97 -21.003 0.331 -2.567 1.00 0.00 H new ATOM 1317 N SER A 98 -28.024 -0.005 1.456 1.00 0.00 N ATOM 1318 CA SER A 98 -29.478 -0.020 1.560 1.00 0.00 C ATOM 1319 C SER A 98 -30.130 -0.014 0.182 1.00 0.00 C ATOM 1320 O SER A 98 -29.599 0.567 -0.762 1.00 0.00 O ATOM 1321 CB SER A 98 -29.959 1.184 2.364 1.00 0.00 C ATOM 1322 OG SER A 98 -29.643 1.042 3.738 1.00 0.00 O ATOM 0 H SER A 98 -27.666 0.419 0.600 1.00 0.00 H new ATOM 0 HA SER A 98 -29.769 -0.937 2.072 1.00 0.00 H new ATOM 0 HB2 SER A 98 -29.499 2.092 1.974 1.00 0.00 H new ATOM 0 HB3 SER A 98 -31.037 1.297 2.246 1.00 0.00 H new ATOM 0 HG SER A 98 -29.077 0.252 3.863 1.00 0.00 H new ATOM 1328 N CYS A 99 -31.291 -0.654 0.077 1.00 0.00 N ATOM 1329 CA CYS A 99 -32.018 -0.715 -1.186 1.00 0.00 C ATOM 1330 C CYS A 99 -32.673 0.627 -1.503 1.00 0.00 C ATOM 1331 O CYS A 99 -32.842 1.468 -0.620 1.00 0.00 O ATOM 1332 CB CYS A 99 -33.077 -1.815 -1.139 1.00 0.00 C ATOM 1333 SG CYS A 99 -32.412 -3.469 -0.757 1.00 0.00 S ATOM 0 H CYS A 99 -31.748 -1.137 0.851 1.00 0.00 H new ATOM 0 HA CYS A 99 -31.303 -0.945 -1.976 1.00 0.00 H new ATOM 0 HB2 CYS A 99 -33.825 -1.554 -0.390 1.00 0.00 H new ATOM 0 HB3 CYS A 99 -33.589 -1.854 -2.101 1.00 0.00 H new ATOM 1338 N ASN A 100 -33.043 0.821 -2.766 1.00 0.00 N ATOM 1339 CA ASN A 100 -33.661 2.070 -3.199 1.00 0.00 C ATOM 1340 C ASN A 100 -35.170 2.065 -2.955 1.00 0.00 C ATOM 1341 O ASN A 100 -35.666 2.764 -2.072 1.00 0.00 O ATOM 1342 CB ASN A 100 -33.373 2.311 -4.682 1.00 0.00 C ATOM 1343 CG ASN A 100 -31.895 2.236 -5.003 1.00 0.00 C ATOM 1344 OD1 ASN A 100 -31.061 2.774 -4.273 1.00 0.00 O ATOM 1345 ND2 ASN A 100 -31.561 1.564 -6.097 1.00 0.00 N ATOM 0 H ASN A 100 -32.926 0.130 -3.507 1.00 0.00 H new ATOM 0 HA ASN A 100 -33.229 2.878 -2.608 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -33.909 1.573 -5.278 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -33.755 3.291 -4.969 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -30.580 1.477 -6.363 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -32.285 1.134 -6.673 1.00 0.00 H new ATOM 1352 N SER A 101 -35.897 1.293 -3.759 1.00 0.00 N ATOM 1353 CA SER A 101 -37.351 1.224 -3.646 1.00 0.00 C ATOM 1354 C SER A 101 -37.775 0.487 -2.380 1.00 0.00 C ATOM 1355 O SER A 101 -38.853 0.735 -1.839 1.00 0.00 O ATOM 1356 CB SER A 101 -37.942 0.529 -4.874 1.00 0.00 C ATOM 1357 OG SER A 101 -38.227 1.463 -5.901 1.00 0.00 O ATOM 0 H SER A 101 -35.503 0.707 -4.495 1.00 0.00 H new ATOM 0 HA SER A 101 -37.731 2.244 -3.589 1.00 0.00 H new ATOM 0 HB2 SER A 101 -37.242 -0.220 -5.244 1.00 0.00 H new ATOM 0 HB3 SER A 101 -38.854 0.002 -4.594 1.00 0.00 H new ATOM 0 HG SER A 101 -38.602 0.994 -6.675 1.00 0.00 H new ATOM 1363 N GLY A 102 -36.931 -0.429 -1.920 1.00 0.00 N ATOM 1364 CA GLY A 102 -37.239 -1.184 -0.720 1.00 0.00 C ATOM 1365 C GLY A 102 -37.023 -2.677 -0.895 1.00 0.00 C ATOM 1366 O GLY A 102 -37.778 -3.487 -0.356 1.00 0.00 O ATOM 0 H GLY A 102 -36.039 -0.662 -2.356 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -36.617 -0.825 0.100 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -38.276 -1.002 -0.437 1.00 0.00 H new ATOM 1370 N TYR A 103 -35.989 -3.040 -1.645 1.00 0.00 N ATOM 1371 CA TYR A 103 -35.661 -4.436 -1.880 1.00 0.00 C ATOM 1372 C TYR A 103 -35.133 -5.083 -0.608 1.00 0.00 C ATOM 1373 O TYR A 103 -35.111 -4.462 0.455 1.00 0.00 O ATOM 1374 CB TYR A 103 -34.612 -4.546 -2.991 1.00 0.00 C ATOM 1375 CG TYR A 103 -35.191 -4.475 -4.385 1.00 0.00 C ATOM 1376 CD1 TYR A 103 -35.434 -5.631 -5.117 1.00 0.00 C ATOM 1377 CD2 TYR A 103 -35.487 -3.252 -4.973 1.00 0.00 C ATOM 1378 CE1 TYR A 103 -35.957 -5.569 -6.395 1.00 0.00 C ATOM 1379 CE2 TYR A 103 -36.014 -3.182 -6.249 1.00 0.00 C ATOM 1380 CZ TYR A 103 -36.249 -4.342 -6.955 1.00 0.00 C ATOM 1381 OH TYR A 103 -36.772 -4.277 -8.226 1.00 0.00 O ATOM 0 H TYR A 103 -35.361 -2.379 -2.103 1.00 0.00 H new ATOM 0 HA TYR A 103 -36.568 -4.958 -2.186 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -33.882 -3.746 -2.869 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -34.074 -5.487 -2.878 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -35.211 -6.593 -4.680 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -35.302 -2.340 -4.424 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -36.136 -6.476 -6.953 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -36.241 -2.223 -6.691 1.00 0.00 H new ATOM 0 HH TYR A 103 -36.921 -3.340 -8.471 1.00 0.00 H new ATOM 1391 N SER A 104 -34.699 -6.330 -0.724 1.00 0.00 N ATOM 1392 CA SER A 104 -34.143 -7.052 0.412 1.00 0.00 C ATOM 1393 C SER A 104 -32.631 -7.170 0.274 1.00 0.00 C ATOM 1394 O SER A 104 -32.132 -8.002 -0.485 1.00 0.00 O ATOM 1395 CB SER A 104 -34.769 -8.443 0.523 1.00 0.00 C ATOM 1396 OG SER A 104 -36.170 -8.391 0.312 1.00 0.00 O ATOM 0 H SER A 104 -34.721 -6.863 -1.593 1.00 0.00 H new ATOM 0 HA SER A 104 -34.372 -6.493 1.319 1.00 0.00 H new ATOM 0 HB2 SER A 104 -34.313 -9.110 -0.208 1.00 0.00 H new ATOM 0 HB3 SER A 104 -34.562 -8.861 1.508 1.00 0.00 H new ATOM 0 HG SER A 104 -36.546 -9.293 0.387 1.00 0.00 H new ATOM 1402 N LEU A 105 -31.905 -6.325 0.999 1.00 0.00 N ATOM 1403 CA LEU A 105 -30.455 -6.318 0.928 1.00 0.00 C ATOM 1404 C LEU A 105 -29.885 -7.716 1.066 1.00 0.00 C ATOM 1405 O LEU A 105 -30.206 -8.451 2.000 1.00 0.00 O ATOM 1406 CB LEU A 105 -29.851 -5.406 1.985 1.00 0.00 C ATOM 1407 CG LEU A 105 -28.608 -4.657 1.509 1.00 0.00 C ATOM 1408 CD1 LEU A 105 -28.922 -3.186 1.298 1.00 0.00 C ATOM 1409 CD2 LEU A 105 -27.458 -4.839 2.484 1.00 0.00 C ATOM 0 H LEU A 105 -32.300 -5.638 1.641 1.00 0.00 H new ATOM 0 HA LEU A 105 -30.189 -5.932 -0.056 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -30.602 -4.682 2.301 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -29.593 -6.001 2.861 1.00 0.00 H new ATOM 0 HG LEU A 105 -28.299 -5.078 0.552 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -28.025 -2.668 0.959 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -29.705 -3.085 0.547 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -29.261 -2.748 2.237 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -26.585 -4.296 2.122 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -27.746 -4.453 3.462 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -27.217 -5.899 2.569 1.00 0.00 H new ATOM 1421 N ILE A 106 -29.040 -8.066 0.117 1.00 0.00 N ATOM 1422 CA ILE A 106 -28.387 -9.362 0.107 1.00 0.00 C ATOM 1423 C ILE A 106 -27.051 -9.277 0.836 1.00 0.00 C ATOM 1424 O ILE A 106 -26.448 -8.212 0.912 1.00 0.00 O ATOM 1425 CB ILE A 106 -28.174 -9.853 -1.339 1.00 0.00 C ATOM 1426 CG1 ILE A 106 -29.523 -10.124 -2.003 1.00 0.00 C ATOM 1427 CG2 ILE A 106 -27.306 -11.104 -1.376 1.00 0.00 C ATOM 1428 CD1 ILE A 106 -30.331 -11.198 -1.310 1.00 0.00 C ATOM 0 H ILE A 106 -28.787 -7.464 -0.666 1.00 0.00 H new ATOM 0 HA ILE A 106 -29.028 -10.078 0.621 1.00 0.00 H new ATOM 0 HB ILE A 106 -27.654 -9.070 -1.891 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -30.102 -9.200 -2.022 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -29.357 -10.417 -3.039 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -27.174 -11.425 -2.409 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -26.333 -10.885 -0.938 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -27.789 -11.899 -0.808 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -31.276 -11.338 -1.835 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -29.772 -12.134 -1.314 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -30.528 -10.898 -0.281 1.00 0.00 H new ATOM 1440 N GLY A 107 -26.604 -10.397 1.385 1.00 0.00 N ATOM 1441 CA GLY A 107 -25.353 -10.403 2.118 1.00 0.00 C ATOM 1442 C GLY A 107 -25.412 -9.521 3.348 1.00 0.00 C ATOM 1443 O GLY A 107 -26.331 -9.636 4.160 1.00 0.00 O ATOM 0 H GLY A 107 -27.081 -11.297 1.337 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -25.112 -11.424 2.415 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -24.549 -10.062 1.466 1.00 0.00 H new ATOM 1447 N ASN A 108 -24.440 -8.629 3.477 1.00 0.00 N ATOM 1448 CA ASN A 108 -24.388 -7.712 4.609 1.00 0.00 C ATOM 1449 C ASN A 108 -24.345 -6.262 4.136 1.00 0.00 C ATOM 1450 O ASN A 108 -23.730 -5.949 3.117 1.00 0.00 O ATOM 1451 CB ASN A 108 -23.167 -8.010 5.482 1.00 0.00 C ATOM 1452 CG ASN A 108 -22.964 -9.496 5.703 1.00 0.00 C ATOM 1453 OD1 ASN A 108 -23.947 -10.141 6.320 1.00 0.00 O flip ATOM 1454 ND2 ASN A 108 -21.937 -10.058 5.325 1.00 0.00 N flip ATOM 0 H ASN A 108 -23.675 -8.520 2.811 1.00 0.00 H new ATOM 0 HA ASN A 108 -25.293 -7.857 5.200 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -22.277 -7.590 5.013 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -23.283 -7.515 6.446 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -21.207 -9.523 4.855 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -21.816 -11.059 5.482 1.00 0.00 H new ATOM 1461 N SER A 109 -25.005 -5.382 4.882 1.00 0.00 N ATOM 1462 CA SER A 109 -25.037 -3.963 4.545 1.00 0.00 C ATOM 1463 C SER A 109 -23.686 -3.314 4.818 1.00 0.00 C ATOM 1464 O SER A 109 -23.274 -2.391 4.115 1.00 0.00 O ATOM 1465 CB SER A 109 -26.136 -3.253 5.340 1.00 0.00 C ATOM 1466 OG SER A 109 -25.808 -1.894 5.576 1.00 0.00 O ATOM 0 H SER A 109 -25.525 -5.627 5.725 1.00 0.00 H new ATOM 0 HA SER A 109 -25.255 -3.868 3.481 1.00 0.00 H new ATOM 0 HB2 SER A 109 -27.078 -3.312 4.794 1.00 0.00 H new ATOM 0 HB3 SER A 109 -26.286 -3.763 6.291 1.00 0.00 H new ATOM 0 HG SER A 109 -26.602 -1.416 5.895 1.00 0.00 H new ATOM 1472 N GLY A 110 -22.999 -3.812 5.836 1.00 0.00 N ATOM 1473 CA GLY A 110 -21.703 -3.270 6.194 1.00 0.00 C ATOM 1474 C GLY A 110 -20.635 -3.572 5.160 1.00 0.00 C ATOM 1475 O GLY A 110 -20.555 -4.688 4.646 1.00 0.00 O ATOM 0 H GLY A 110 -23.317 -4.584 6.422 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -21.787 -2.190 6.318 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -21.396 -3.679 7.157 1.00 0.00 H new ATOM 1479 N VAL A 111 -19.809 -2.575 4.859 1.00 0.00 N ATOM 1480 CA VAL A 111 -18.727 -2.735 3.893 1.00 0.00 C ATOM 1481 C VAL A 111 -17.423 -2.182 4.454 1.00 0.00 C ATOM 1482 O VAL A 111 -17.326 -0.995 4.761 1.00 0.00 O ATOM 1483 CB VAL A 111 -19.037 -2.033 2.562 1.00 0.00 C ATOM 1484 CG1 VAL A 111 -18.183 -2.608 1.443 1.00 0.00 C ATOM 1485 CG2 VAL A 111 -20.515 -2.143 2.222 1.00 0.00 C ATOM 0 H VAL A 111 -19.869 -1.644 5.272 1.00 0.00 H new ATOM 0 HA VAL A 111 -18.627 -3.804 3.705 1.00 0.00 H new ATOM 0 HB VAL A 111 -18.794 -0.976 2.671 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -18.417 -2.098 0.508 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -17.129 -2.466 1.680 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -18.391 -3.673 1.337 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -20.709 -1.638 1.276 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -20.791 -3.194 2.136 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -21.105 -1.676 3.010 1.00 0.00 H new ATOM 1495 N LEU A 112 -16.425 -3.049 4.595 1.00 0.00 N ATOM 1496 CA LEU A 112 -15.137 -2.642 5.145 1.00 0.00 C ATOM 1497 C LEU A 112 -14.241 -2.028 4.076 1.00 0.00 C ATOM 1498 O LEU A 112 -13.803 -2.710 3.150 1.00 0.00 O ATOM 1499 CB LEU A 112 -14.424 -3.838 5.785 1.00 0.00 C ATOM 1500 CG LEU A 112 -12.958 -3.593 6.165 1.00 0.00 C ATOM 1501 CD1 LEU A 112 -12.254 -4.911 6.452 1.00 0.00 C ATOM 1502 CD2 LEU A 112 -12.867 -2.663 7.366 1.00 0.00 C ATOM 0 H LEU A 112 -16.483 -4.034 4.337 1.00 0.00 H new ATOM 0 HA LEU A 112 -15.333 -1.886 5.906 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -14.971 -4.131 6.681 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -14.469 -4.680 5.094 1.00 0.00 H new ATOM 0 HG LEU A 112 -12.458 -3.115 5.323 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -11.215 -4.718 6.720 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -12.753 -5.418 7.278 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -12.288 -5.543 5.564 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -11.820 -2.500 7.622 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -13.334 -1.708 7.123 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -13.382 -3.113 8.215 1.00 0.00 H new ATOM 1514 N CYS A 113 -13.942 -0.744 4.234 1.00 0.00 N ATOM 1515 CA CYS A 113 -13.043 -0.055 3.323 1.00 0.00 C ATOM 1516 C CYS A 113 -11.601 -0.328 3.723 1.00 0.00 C ATOM 1517 O CYS A 113 -11.096 0.254 4.685 1.00 0.00 O ATOM 1518 CB CYS A 113 -13.307 1.448 3.350 1.00 0.00 C ATOM 1519 SG CYS A 113 -12.095 2.438 2.417 1.00 0.00 S ATOM 0 H CYS A 113 -14.310 -0.161 4.985 1.00 0.00 H new ATOM 0 HA CYS A 113 -13.217 -0.424 2.312 1.00 0.00 H new ATOM 0 HB2 CYS A 113 -14.302 1.638 2.946 1.00 0.00 H new ATOM 0 HB3 CYS A 113 -13.314 1.785 4.386 1.00 0.00 H new ATOM 1524 N SER A 114 -10.958 -1.244 3.011 1.00 0.00 N ATOM 1525 CA SER A 114 -9.586 -1.620 3.323 1.00 0.00 C ATOM 1526 C SER A 114 -8.752 -1.788 2.058 1.00 0.00 C ATOM 1527 O SER A 114 -9.278 -2.070 0.983 1.00 0.00 O ATOM 1528 CB SER A 114 -9.568 -2.914 4.137 1.00 0.00 C ATOM 1529 OG SER A 114 -8.353 -3.622 3.954 1.00 0.00 O ATOM 0 H SER A 114 -11.363 -1.739 2.216 1.00 0.00 H new ATOM 0 HA SER A 114 -9.145 -0.816 3.912 1.00 0.00 H new ATOM 0 HB2 SER A 114 -9.701 -2.683 5.194 1.00 0.00 H new ATOM 0 HB3 SER A 114 -10.407 -3.544 3.841 1.00 0.00 H new ATOM 0 HG SER A 114 -8.370 -4.444 4.488 1.00 0.00 H new ATOM 1535 N GLY A 115 -7.444 -1.608 2.204 1.00 0.00 N ATOM 1536 CA GLY A 115 -6.538 -1.750 1.079 1.00 0.00 C ATOM 1537 C GLY A 115 -6.941 -0.905 -0.115 1.00 0.00 C ATOM 1538 O GLY A 115 -6.527 -1.178 -1.242 1.00 0.00 O ATOM 0 H GLY A 115 -6.993 -1.365 3.086 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -5.532 -1.471 1.392 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -6.500 -2.797 0.780 1.00 0.00 H new ATOM 1542 N GLY A 116 -7.740 0.128 0.130 1.00 0.00 N ATOM 1543 CA GLY A 116 -8.180 0.992 -0.948 1.00 0.00 C ATOM 1544 C GLY A 116 -9.376 0.435 -1.697 1.00 0.00 C ATOM 1545 O GLY A 116 -9.774 0.977 -2.729 1.00 0.00 O ATOM 0 H GLY A 116 -8.090 0.381 1.054 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -8.435 1.971 -0.542 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -7.357 1.141 -1.647 1.00 0.00 H new ATOM 1549 N GLU A 117 -9.953 -0.648 -1.183 1.00 0.00 N ATOM 1550 CA GLU A 117 -11.110 -1.265 -1.813 1.00 0.00 C ATOM 1551 C GLU A 117 -12.198 -1.539 -0.787 1.00 0.00 C ATOM 1552 O GLU A 117 -12.013 -1.312 0.409 1.00 0.00 O ATOM 1553 CB GLU A 117 -10.708 -2.568 -2.503 1.00 0.00 C ATOM 1554 CG GLU A 117 -10.188 -3.629 -1.548 1.00 0.00 C ATOM 1555 CD GLU A 117 -8.730 -3.968 -1.790 1.00 0.00 C ATOM 1556 OE1 GLU A 117 -8.417 -4.503 -2.875 1.00 0.00 O ATOM 1557 OE2 GLU A 117 -7.901 -3.698 -0.896 1.00 0.00 O ATOM 0 H GLU A 117 -9.636 -1.114 -0.333 1.00 0.00 H new ATOM 0 HA GLU A 117 -11.500 -0.573 -2.559 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -11.569 -2.965 -3.040 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -9.940 -2.353 -3.247 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -10.311 -3.281 -0.522 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -10.789 -4.532 -1.652 1.00 0.00 H new ATOM 1564 N TRP A 118 -13.330 -2.037 -1.262 1.00 0.00 N ATOM 1565 CA TRP A 118 -14.452 -2.340 -0.392 1.00 0.00 C ATOM 1566 C TRP A 118 -14.712 -3.841 -0.345 1.00 0.00 C ATOM 1567 O TRP A 118 -14.713 -4.513 -1.377 1.00 0.00 O ATOM 1568 CB TRP A 118 -15.695 -1.607 -0.883 1.00 0.00 C ATOM 1569 CG TRP A 118 -15.613 -0.124 -0.704 1.00 0.00 C ATOM 1570 CD1 TRP A 118 -15.193 0.789 -1.627 1.00 0.00 C ATOM 1571 CD2 TRP A 118 -15.954 0.618 0.471 1.00 0.00 C ATOM 1572 NE1 TRP A 118 -15.256 2.055 -1.099 1.00 0.00 N ATOM 1573 CE2 TRP A 118 -15.721 1.977 0.188 1.00 0.00 C ATOM 1574 CE3 TRP A 118 -16.438 0.267 1.735 1.00 0.00 C ATOM 1575 CZ2 TRP A 118 -15.953 2.982 1.121 1.00 0.00 C ATOM 1576 CZ3 TRP A 118 -16.669 1.267 2.661 1.00 0.00 C ATOM 1577 CH2 TRP A 118 -16.428 2.611 2.349 1.00 0.00 C ATOM 0 H TRP A 118 -13.494 -2.240 -2.248 1.00 0.00 H new ATOM 0 HA TRP A 118 -14.210 -2.006 0.617 1.00 0.00 H new ATOM 0 HB2 TRP A 118 -15.848 -1.831 -1.939 1.00 0.00 H new ATOM 0 HB3 TRP A 118 -16.566 -1.984 -0.347 1.00 0.00 H new ATOM 0 HD1 TRP A 118 -14.860 0.551 -2.626 1.00 0.00 H new ATOM 0 HE1 TRP A 118 -14.999 2.914 -1.585 1.00 0.00 H new ATOM 0 HE3 TRP A 118 -16.628 -0.767 1.983 1.00 0.00 H new ATOM 0 HZ2 TRP A 118 -15.765 4.019 0.884 1.00 0.00 H new ATOM 0 HZ3 TRP A 118 -17.041 1.008 3.641 1.00 0.00 H new ATOM 0 HH2 TRP A 118 -16.621 3.370 3.093 1.00 0.00 H new ATOM 1588 N SER A 119 -14.927 -4.361 0.857 1.00 0.00 N ATOM 1589 CA SER A 119 -15.171 -5.786 1.036 1.00 0.00 C ATOM 1590 C SER A 119 -16.541 -6.041 1.655 1.00 0.00 C ATOM 1591 O SER A 119 -17.029 -5.249 2.462 1.00 0.00 O ATOM 1592 CB SER A 119 -14.082 -6.400 1.918 1.00 0.00 C ATOM 1593 OG SER A 119 -13.246 -5.397 2.469 1.00 0.00 O ATOM 0 H SER A 119 -14.937 -3.818 1.721 1.00 0.00 H new ATOM 0 HA SER A 119 -15.149 -6.255 0.052 1.00 0.00 H new ATOM 0 HB2 SER A 119 -14.542 -6.976 2.721 1.00 0.00 H new ATOM 0 HB3 SER A 119 -13.482 -7.095 1.330 1.00 0.00 H new ATOM 0 HG SER A 119 -12.560 -5.815 3.030 1.00 0.00 H new ATOM 1599 N ASP A 120 -17.150 -7.158 1.271 1.00 0.00 N ATOM 1600 CA ASP A 120 -18.453 -7.548 1.796 1.00 0.00 C ATOM 1601 C ASP A 120 -19.577 -6.657 1.267 1.00 0.00 C ATOM 1602 O ASP A 120 -20.447 -6.233 2.029 1.00 0.00 O ATOM 1603 CB ASP A 120 -18.437 -7.504 3.323 1.00 0.00 C ATOM 1604 CG ASP A 120 -19.061 -8.737 3.946 1.00 0.00 C ATOM 1605 OD1 ASP A 120 -18.463 -9.828 3.829 1.00 0.00 O ATOM 1606 OD2 ASP A 120 -20.146 -8.612 4.550 1.00 0.00 O ATOM 0 H ASP A 120 -16.759 -7.813 0.594 1.00 0.00 H new ATOM 0 HA ASP A 120 -18.649 -8.565 1.457 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -17.408 -7.407 3.670 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -18.973 -6.618 3.663 1.00 0.00 H new ATOM 1611 N PRO A 121 -19.601 -6.386 -0.050 1.00 0.00 N ATOM 1612 CA PRO A 121 -20.654 -5.577 -0.664 1.00 0.00 C ATOM 1613 C PRO A 121 -21.934 -6.387 -0.868 1.00 0.00 C ATOM 1614 O PRO A 121 -21.886 -7.520 -1.347 1.00 0.00 O ATOM 1615 CB PRO A 121 -20.047 -5.181 -2.005 1.00 0.00 C ATOM 1616 CG PRO A 121 -19.151 -6.320 -2.354 1.00 0.00 C ATOM 1617 CD PRO A 121 -18.621 -6.858 -1.047 1.00 0.00 C ATOM 0 HA PRO A 121 -20.944 -4.725 -0.050 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -20.817 -5.034 -2.762 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -19.491 -4.246 -1.930 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -19.696 -7.091 -2.899 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -18.336 -5.990 -2.998 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -18.555 -7.946 -1.059 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -17.621 -6.480 -0.835 1.00 0.00 H new ATOM 1625 N PRO A 122 -23.096 -5.830 -0.491 1.00 0.00 N ATOM 1626 CA PRO A 122 -24.372 -6.524 -0.599 1.00 0.00 C ATOM 1627 C PRO A 122 -25.086 -6.276 -1.913 1.00 0.00 C ATOM 1628 O PRO A 122 -24.562 -5.628 -2.818 1.00 0.00 O ATOM 1629 CB PRO A 122 -25.180 -5.920 0.541 1.00 0.00 C ATOM 1630 CG PRO A 122 -24.637 -4.537 0.724 1.00 0.00 C ATOM 1631 CD PRO A 122 -23.257 -4.498 0.111 1.00 0.00 C ATOM 0 HA PRO A 122 -24.241 -7.605 -0.553 1.00 0.00 H new ATOM 0 HB2 PRO A 122 -26.243 -5.896 0.300 1.00 0.00 H new ATOM 0 HB3 PRO A 122 -25.073 -6.508 1.453 1.00 0.00 H new ATOM 0 HG2 PRO A 122 -25.288 -3.805 0.246 1.00 0.00 H new ATOM 0 HG3 PRO A 122 -24.592 -4.281 1.783 1.00 0.00 H new ATOM 0 HD2 PRO A 122 -23.175 -3.710 -0.637 1.00 0.00 H new ATOM 0 HD3 PRO A 122 -22.492 -4.305 0.863 1.00 0.00 H new ATOM 1639 N THR A 123 -26.303 -6.789 -1.990 1.00 0.00 N ATOM 1640 CA THR A 123 -27.149 -6.604 -3.160 1.00 0.00 C ATOM 1641 C THR A 123 -28.533 -6.152 -2.730 1.00 0.00 C ATOM 1642 O THR A 123 -28.713 -5.660 -1.618 1.00 0.00 O ATOM 1643 CB THR A 123 -27.243 -7.898 -3.973 1.00 0.00 C ATOM 1644 OG1 THR A 123 -26.266 -8.830 -3.545 1.00 0.00 O ATOM 1645 CG2 THR A 123 -27.056 -7.685 -5.459 1.00 0.00 C ATOM 0 H THR A 123 -26.732 -7.343 -1.248 1.00 0.00 H new ATOM 0 HA THR A 123 -26.703 -5.837 -3.793 1.00 0.00 H new ATOM 0 HB THR A 123 -28.251 -8.276 -3.801 1.00 0.00 H new ATOM 0 HG1 THR A 123 -26.343 -9.651 -4.075 1.00 0.00 H new ATOM 0 HG21 THR A 123 -27.134 -8.641 -5.976 1.00 0.00 H new ATOM 0 HG22 THR A 123 -27.826 -7.008 -5.829 1.00 0.00 H new ATOM 0 HG23 THR A 123 -26.073 -7.252 -5.644 1.00 0.00 H new ATOM 1653 N CYS A 124 -29.508 -6.308 -3.611 1.00 0.00 N ATOM 1654 CA CYS A 124 -30.873 -5.926 -3.291 1.00 0.00 C ATOM 1655 C CYS A 124 -31.863 -6.671 -4.168 1.00 0.00 C ATOM 1656 O CYS A 124 -32.199 -6.230 -5.267 1.00 0.00 O ATOM 1657 CB CYS A 124 -31.061 -4.417 -3.445 1.00 0.00 C ATOM 1658 SG CYS A 124 -30.586 -3.458 -1.971 1.00 0.00 S ATOM 0 H CYS A 124 -29.381 -6.694 -4.547 1.00 0.00 H new ATOM 0 HA CYS A 124 -31.063 -6.196 -2.252 1.00 0.00 H new ATOM 0 HB2 CYS A 124 -30.472 -4.073 -4.295 1.00 0.00 H new ATOM 0 HB3 CYS A 124 -32.106 -4.213 -3.677 1.00 0.00 H new ATOM 1663 N GLN A 125 -32.323 -7.808 -3.670 1.00 0.00 N ATOM 1664 CA GLN A 125 -33.269 -8.632 -4.397 1.00 0.00 C ATOM 1665 C GLN A 125 -34.531 -8.861 -3.579 1.00 0.00 C ATOM 1666 O GLN A 125 -34.534 -8.702 -2.359 1.00 0.00 O ATOM 1667 CB GLN A 125 -32.629 -9.973 -4.751 1.00 0.00 C ATOM 1668 CG GLN A 125 -31.764 -9.920 -5.998 1.00 0.00 C ATOM 1669 CD GLN A 125 -30.570 -10.851 -5.920 1.00 0.00 C ATOM 1670 OE1 GLN A 125 -29.479 -10.368 -5.335 1.00 0.00 O flip ATOM 1671 NE2 GLN A 125 -30.626 -11.991 -6.379 1.00 0.00 N flip ATOM 0 H GLN A 125 -32.053 -8.181 -2.760 1.00 0.00 H new ATOM 0 HA GLN A 125 -33.544 -8.110 -5.313 1.00 0.00 H new ATOM 0 HB2 GLN A 125 -32.022 -10.310 -3.911 1.00 0.00 H new ATOM 0 HB3 GLN A 125 -33.414 -10.715 -4.894 1.00 0.00 H new ATOM 0 HG2 GLN A 125 -32.368 -10.182 -6.866 1.00 0.00 H new ATOM 0 HG3 GLN A 125 -31.414 -8.899 -6.150 1.00 0.00 H new ATOM 0 HE21 GLN A 125 -31.484 -12.322 -6.820 1.00 0.00 H new ATOM 0 HE22 GLN A 125 -29.814 -12.606 -6.318 1.00 0.00 H new ATOM 1680 N ILE A 126 -35.601 -9.233 -4.264 1.00 0.00 N ATOM 1681 CA ILE A 126 -36.875 -9.493 -3.608 1.00 0.00 C ATOM 1682 C ILE A 126 -36.986 -10.957 -3.202 1.00 0.00 C ATOM 1683 O ILE A 126 -37.829 -11.694 -3.714 1.00 0.00 O ATOM 1684 CB ILE A 126 -38.062 -9.128 -4.516 1.00 0.00 C ATOM 1685 CG1 ILE A 126 -37.942 -7.678 -4.982 1.00 0.00 C ATOM 1686 CG2 ILE A 126 -39.377 -9.348 -3.786 1.00 0.00 C ATOM 1687 CD1 ILE A 126 -37.914 -6.679 -3.846 1.00 0.00 C ATOM 0 H ILE A 126 -35.613 -9.362 -5.276 1.00 0.00 H new ATOM 0 HA ILE A 126 -36.910 -8.866 -2.717 1.00 0.00 H new ATOM 0 HB ILE A 126 -38.045 -9.777 -5.392 1.00 0.00 H new ATOM 0 HG12 ILE A 126 -37.033 -7.569 -5.574 1.00 0.00 H new ATOM 0 HG13 ILE A 126 -38.780 -7.445 -5.639 1.00 0.00 H new ATOM 0 HG21 ILE A 126 -40.206 -9.085 -4.443 1.00 0.00 H new ATOM 0 HG22 ILE A 126 -39.462 -10.395 -3.496 1.00 0.00 H new ATOM 0 HG23 ILE A 126 -39.407 -8.722 -2.894 1.00 0.00 H new ATOM 0 HD11 ILE A 126 -37.827 -5.670 -4.250 1.00 0.00 H new ATOM 0 HD12 ILE A 126 -38.834 -6.760 -3.267 1.00 0.00 H new ATOM 0 HD13 ILE A 126 -37.060 -6.886 -3.201 1.00 0.00 H new TER 1699 ILE A 126