USER MOD reduce.3.24.130724 H: found=0, std=0, add=826, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 824 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 103 HIS : no HE2:sc= 0.405 K(o=1.2,f=-1.7!) USER MOD Set 1.2: A 107 GLN : amide:sc= 0.816 K(o=1.2,f=0.39) USER MOD Single : A 1 SER N :NH3+ 151:sc= 0.00734 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 1.25 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= 0.43 K(o=0.43,f=-9.5!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 79:sc= 1.15 USER MOD Single : A 24 MET CE :methyl 162:sc= -0.0804 (180deg=-0.361) USER MOD Single : A 33 CYS SG : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HE2:sc= 0.484 K(o=0.48,f=-1.6!) USER MOD Single : A 36 CYS SG : rot 180:sc= -0.0293 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 156:sc= 1.25 USER MOD Single : A 48 THR OG1 : rot 69:sc= 1.22 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 119:sc= 1.35 USER MOD Single : A 64 ASN : amide:sc= 1.62 K(o=1.6,f=-4.5!) USER MOD Single : A 65 THR OG1 : rot -21:sc= 1.09 USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 67 THR OG1 : rot 63:sc= 1.21 USER MOD Single : A 69 ASN : amide:sc= 0.849 K(o=0.85,f=-0.018) USER MOD Single : A 70 LYS NZ :NH3+ -169:sc= 1.23 (180deg=1.17) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 160:sc= 0.749 USER MOD Single : A 80 LYS NZ :NH3+ 166:sc= 2.14 (180deg=2.08) USER MOD Single : A 91 TYR OH : rot 174:sc= 1.24 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 76:sc= 1.25 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -1.091 2.198 14.579 1.00 0.00 N ATOM 2 CA SER A 1 -1.162 1.943 13.123 1.00 0.00 C ATOM 3 C SER A 1 -0.982 0.463 12.817 1.00 0.00 C ATOM 4 O SER A 1 -0.034 -0.162 13.298 1.00 0.00 O ATOM 5 CB SER A 1 -0.096 2.734 12.355 1.00 0.00 C ATOM 6 OG SER A 1 -0.145 4.115 12.682 1.00 0.00 O ATOM 0 H1 SER A 1 -0.729 3.159 14.746 1.00 0.00 H new ATOM 0 H2 SER A 1 -2.041 2.109 14.994 1.00 0.00 H new ATOM 0 H3 SER A 1 -0.453 1.506 15.022 1.00 0.00 H new ATOM 0 HA SER A 1 -2.150 2.269 12.799 1.00 0.00 H new ATOM 0 HB2 SER A 1 0.892 2.338 12.588 1.00 0.00 H new ATOM 0 HB3 SER A 1 -0.247 2.606 11.283 1.00 0.00 H new ATOM 0 HG SER A 1 0.549 4.594 12.183 1.00 0.00 H new ATOM 14 N ASP A 2 -1.876 -0.121 12.018 1.00 0.00 N ATOM 15 CA ASP A 2 -1.724 -1.475 11.451 1.00 0.00 C ATOM 16 C ASP A 2 -0.967 -1.413 10.106 1.00 0.00 C ATOM 17 O ASP A 2 -0.204 -2.319 9.766 1.00 0.00 O ATOM 18 CB ASP A 2 -3.104 -2.125 11.284 1.00 0.00 C ATOM 19 CG ASP A 2 -3.664 -2.569 12.647 1.00 0.00 C ATOM 20 OD1 ASP A 2 -3.378 -3.719 13.063 1.00 0.00 O ATOM 21 OD2 ASP A 2 -4.354 -1.772 13.331 1.00 0.00 O ATOM 0 H ASP A 2 -2.744 0.336 11.738 1.00 0.00 H new ATOM 0 HA ASP A 2 -1.136 -2.088 12.134 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -3.790 -1.419 10.816 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -3.028 -2.985 10.619 1.00 0.00 H new ATOM 26 N VAL A 3 -1.134 -0.303 9.378 1.00 0.00 N ATOM 27 CA VAL A 3 -0.362 0.086 8.190 1.00 0.00 C ATOM 28 C VAL A 3 1.061 0.506 8.587 1.00 0.00 C ATOM 29 O VAL A 3 1.264 1.218 9.576 1.00 0.00 O ATOM 30 CB VAL A 3 -1.093 1.249 7.490 1.00 0.00 C ATOM 31 CG1 VAL A 3 -0.289 1.913 6.370 1.00 0.00 C ATOM 32 CG2 VAL A 3 -2.404 0.757 6.874 1.00 0.00 C ATOM 0 H VAL A 3 -1.849 0.385 9.613 1.00 0.00 H new ATOM 0 HA VAL A 3 -0.281 -0.761 7.509 1.00 0.00 H new ATOM 0 HB VAL A 3 -1.257 1.988 8.274 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -0.875 2.720 5.931 1.00 0.00 H new ATOM 0 HG12 VAL A 3 0.637 2.318 6.778 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -0.056 1.175 5.603 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -2.910 1.588 6.383 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -2.192 -0.022 6.142 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -3.045 0.354 7.658 1.00 0.00 H new ATOM 42 N LEU A 4 2.053 0.095 7.794 1.00 0.00 N ATOM 43 CA LEU A 4 3.454 0.509 7.908 1.00 0.00 C ATOM 44 C LEU A 4 3.665 1.943 7.380 1.00 0.00 C ATOM 45 O LEU A 4 3.084 2.333 6.364 1.00 0.00 O ATOM 46 CB LEU A 4 4.327 -0.479 7.114 1.00 0.00 C ATOM 47 CG LEU A 4 4.266 -1.956 7.563 1.00 0.00 C ATOM 48 CD1 LEU A 4 5.086 -2.831 6.615 1.00 0.00 C ATOM 49 CD2 LEU A 4 4.814 -2.132 8.985 1.00 0.00 C ATOM 0 H LEU A 4 1.897 -0.559 7.027 1.00 0.00 H new ATOM 0 HA LEU A 4 3.737 0.503 8.960 1.00 0.00 H new ATOM 0 HB2 LEU A 4 4.035 -0.427 6.065 1.00 0.00 H new ATOM 0 HB3 LEU A 4 5.363 -0.145 7.174 1.00 0.00 H new ATOM 0 HG LEU A 4 3.219 -2.258 7.545 1.00 0.00 H new ATOM 0 HD11 LEU A 4 5.035 -3.869 6.942 1.00 0.00 H new ATOM 0 HD12 LEU A 4 4.684 -2.749 5.605 1.00 0.00 H new ATOM 0 HD13 LEU A 4 6.124 -2.500 6.621 1.00 0.00 H new ATOM 0 HD21 LEU A 4 4.756 -3.183 9.270 1.00 0.00 H new ATOM 0 HD22 LEU A 4 5.853 -1.803 9.018 1.00 0.00 H new ATOM 0 HD23 LEU A 4 4.223 -1.535 9.679 1.00 0.00 H new ATOM 61 N GLU A 5 4.541 2.717 8.015 1.00 0.00 N ATOM 62 CA GLU A 5 4.755 4.144 7.707 1.00 0.00 C ATOM 63 C GLU A 5 6.211 4.389 7.268 1.00 0.00 C ATOM 64 O GLU A 5 7.041 4.942 7.997 1.00 0.00 O ATOM 65 CB GLU A 5 4.291 5.025 8.882 1.00 0.00 C ATOM 66 CG GLU A 5 2.772 4.942 9.090 1.00 0.00 C ATOM 67 CD GLU A 5 2.316 5.788 10.299 1.00 0.00 C ATOM 68 OE1 GLU A 5 2.402 7.042 10.240 1.00 0.00 O ATOM 69 OE2 GLU A 5 1.843 5.212 11.309 1.00 0.00 O ATOM 0 H GLU A 5 5.135 2.374 8.770 1.00 0.00 H new ATOM 0 HA GLU A 5 4.138 4.436 6.857 1.00 0.00 H new ATOM 0 HB2 GLU A 5 4.801 4.713 9.794 1.00 0.00 H new ATOM 0 HB3 GLU A 5 4.577 6.060 8.695 1.00 0.00 H new ATOM 0 HG2 GLU A 5 2.262 5.287 8.191 1.00 0.00 H new ATOM 0 HG3 GLU A 5 2.481 3.903 9.242 1.00 0.00 H new ATOM 76 N LEU A 6 6.517 3.899 6.062 1.00 0.00 N ATOM 77 CA LEU A 6 7.843 3.959 5.440 1.00 0.00 C ATOM 78 C LEU A 6 8.197 5.383 4.957 1.00 0.00 C ATOM 79 O LEU A 6 7.330 6.236 4.741 1.00 0.00 O ATOM 80 CB LEU A 6 7.900 2.943 4.274 1.00 0.00 C ATOM 81 CG LEU A 6 7.557 1.490 4.666 1.00 0.00 C ATOM 82 CD1 LEU A 6 7.639 0.572 3.449 1.00 0.00 C ATOM 83 CD2 LEU A 6 8.499 0.936 5.734 1.00 0.00 C ATOM 0 H LEU A 6 5.826 3.435 5.473 1.00 0.00 H new ATOM 0 HA LEU A 6 8.589 3.697 6.190 1.00 0.00 H new ATOM 0 HB2 LEU A 6 7.211 3.267 3.494 1.00 0.00 H new ATOM 0 HB3 LEU A 6 8.901 2.962 3.843 1.00 0.00 H new ATOM 0 HG LEU A 6 6.543 1.516 5.066 1.00 0.00 H new ATOM 0 HD11 LEU A 6 7.394 -0.448 3.745 1.00 0.00 H new ATOM 0 HD12 LEU A 6 6.932 0.909 2.691 1.00 0.00 H new ATOM 0 HD13 LEU A 6 8.649 0.598 3.041 1.00 0.00 H new ATOM 0 HD21 LEU A 6 8.215 -0.089 5.974 1.00 0.00 H new ATOM 0 HD22 LEU A 6 9.522 0.950 5.359 1.00 0.00 H new ATOM 0 HD23 LEU A 6 8.433 1.551 6.632 1.00 0.00 H new ATOM 95 N THR A 7 9.494 5.642 4.772 1.00 0.00 N ATOM 96 CA THR A 7 10.066 6.963 4.445 1.00 0.00 C ATOM 97 C THR A 7 11.274 6.841 3.511 1.00 0.00 C ATOM 98 O THR A 7 11.792 5.748 3.282 1.00 0.00 O ATOM 99 CB THR A 7 10.515 7.714 5.715 1.00 0.00 C ATOM 100 OG1 THR A 7 11.570 7.022 6.344 1.00 0.00 O ATOM 101 CG2 THR A 7 9.410 7.908 6.753 1.00 0.00 C ATOM 0 H THR A 7 10.206 4.915 4.847 1.00 0.00 H new ATOM 0 HA THR A 7 9.273 7.521 3.947 1.00 0.00 H new ATOM 0 HB THR A 7 10.823 8.699 5.365 1.00 0.00 H new ATOM 0 HG1 THR A 7 11.847 7.509 7.148 1.00 0.00 H new ATOM 0 HG21 THR A 7 9.810 8.444 7.614 1.00 0.00 H new ATOM 0 HG22 THR A 7 8.595 8.483 6.314 1.00 0.00 H new ATOM 0 HG23 THR A 7 9.036 6.935 7.073 1.00 0.00 H new ATOM 109 N ASP A 8 11.764 7.967 2.993 1.00 0.00 N ATOM 110 CA ASP A 8 12.994 8.049 2.195 1.00 0.00 C ATOM 111 C ASP A 8 14.243 7.482 2.906 1.00 0.00 C ATOM 112 O ASP A 8 15.215 7.095 2.256 1.00 0.00 O ATOM 113 CB ASP A 8 13.201 9.524 1.813 1.00 0.00 C ATOM 114 CG ASP A 8 14.269 9.698 0.729 1.00 0.00 C ATOM 115 OD1 ASP A 8 14.011 9.269 -0.422 1.00 0.00 O ATOM 116 OD2 ASP A 8 15.328 10.313 1.006 1.00 0.00 O ATOM 0 H ASP A 8 11.308 8.871 3.118 1.00 0.00 H new ATOM 0 HA ASP A 8 12.871 7.422 1.312 1.00 0.00 H new ATOM 0 HB2 ASP A 8 12.258 9.942 1.461 1.00 0.00 H new ATOM 0 HB3 ASP A 8 13.490 10.090 2.699 1.00 0.00 H new ATOM 121 N ASP A 9 14.220 7.402 4.243 1.00 0.00 N ATOM 122 CA ASP A 9 15.291 6.825 5.068 1.00 0.00 C ATOM 123 C ASP A 9 15.303 5.283 5.088 1.00 0.00 C ATOM 124 O ASP A 9 16.354 4.690 5.343 1.00 0.00 O ATOM 125 CB ASP A 9 15.128 7.359 6.498 1.00 0.00 C ATOM 126 CG ASP A 9 16.336 7.045 7.397 1.00 0.00 C ATOM 127 OD1 ASP A 9 17.429 7.616 7.163 1.00 0.00 O ATOM 128 OD2 ASP A 9 16.183 6.262 8.363 1.00 0.00 O ATOM 0 H ASP A 9 13.435 7.746 4.796 1.00 0.00 H new ATOM 0 HA ASP A 9 16.242 7.123 4.627 1.00 0.00 H new ATOM 0 HB2 ASP A 9 14.979 8.438 6.462 1.00 0.00 H new ATOM 0 HB3 ASP A 9 14.230 6.928 6.941 1.00 0.00 H new ATOM 133 N ASN A 10 14.160 4.629 4.817 1.00 0.00 N ATOM 134 CA ASN A 10 14.008 3.177 5.018 1.00 0.00 C ATOM 135 C ASN A 10 13.282 2.385 3.909 1.00 0.00 C ATOM 136 O ASN A 10 13.476 1.167 3.837 1.00 0.00 O ATOM 137 CB ASN A 10 13.367 2.922 6.396 1.00 0.00 C ATOM 138 CG ASN A 10 11.928 3.411 6.552 1.00 0.00 C ATOM 139 OD1 ASN A 10 11.124 3.399 5.637 1.00 0.00 O ATOM 140 ND2 ASN A 10 11.547 3.840 7.733 1.00 0.00 N ATOM 0 H ASN A 10 13.323 5.087 4.456 1.00 0.00 H new ATOM 0 HA ASN A 10 15.022 2.780 4.967 1.00 0.00 H new ATOM 0 HB2 ASN A 10 13.392 1.851 6.597 1.00 0.00 H new ATOM 0 HB3 ASN A 10 13.981 3.403 7.158 1.00 0.00 H new ATOM 0 HD21 ASN A 10 10.588 4.158 7.875 1.00 0.00 H new ATOM 0 HD22 ASN A 10 12.210 3.855 8.508 1.00 0.00 H new ATOM 147 N PHE A 11 12.475 3.020 3.047 1.00 0.00 N ATOM 148 CA PHE A 11 11.597 2.326 2.094 1.00 0.00 C ATOM 149 C PHE A 11 12.337 1.301 1.225 1.00 0.00 C ATOM 150 O PHE A 11 11.895 0.160 1.080 1.00 0.00 O ATOM 151 CB PHE A 11 10.890 3.362 1.206 1.00 0.00 C ATOM 152 CG PHE A 11 10.114 2.737 0.059 1.00 0.00 C ATOM 153 CD1 PHE A 11 8.838 2.201 0.284 1.00 0.00 C ATOM 154 CD2 PHE A 11 10.705 2.615 -1.216 1.00 0.00 C ATOM 155 CE1 PHE A 11 8.159 1.536 -0.753 1.00 0.00 C ATOM 156 CE2 PHE A 11 10.024 1.964 -2.256 1.00 0.00 C ATOM 157 CZ PHE A 11 8.754 1.414 -2.022 1.00 0.00 C ATOM 0 H PHE A 11 12.413 4.037 2.991 1.00 0.00 H new ATOM 0 HA PHE A 11 10.868 1.764 2.677 1.00 0.00 H new ATOM 0 HB2 PHE A 11 10.208 3.951 1.819 1.00 0.00 H new ATOM 0 HB3 PHE A 11 11.632 4.051 0.802 1.00 0.00 H new ATOM 0 HD1 PHE A 11 8.376 2.299 1.255 1.00 0.00 H new ATOM 0 HD2 PHE A 11 11.688 3.025 -1.393 1.00 0.00 H new ATOM 0 HE1 PHE A 11 7.179 1.118 -0.575 1.00 0.00 H new ATOM 0 HE2 PHE A 11 10.476 1.886 -3.234 1.00 0.00 H new ATOM 0 HZ PHE A 11 8.234 0.898 -2.815 1.00 0.00 H new ATOM 167 N GLU A 12 13.503 1.682 0.702 1.00 0.00 N ATOM 168 CA GLU A 12 14.279 0.953 -0.316 1.00 0.00 C ATOM 169 C GLU A 12 14.858 -0.408 0.137 1.00 0.00 C ATOM 170 O GLU A 12 15.485 -1.123 -0.648 1.00 0.00 O ATOM 171 CB GLU A 12 15.401 1.858 -0.838 1.00 0.00 C ATOM 172 CG GLU A 12 14.860 3.092 -1.577 1.00 0.00 C ATOM 173 CD GLU A 12 15.999 3.902 -2.229 1.00 0.00 C ATOM 174 OE1 GLU A 12 16.843 4.486 -1.504 1.00 0.00 O ATOM 175 OE2 GLU A 12 16.065 3.961 -3.481 1.00 0.00 O ATOM 0 H GLU A 12 13.959 2.549 0.987 1.00 0.00 H new ATOM 0 HA GLU A 12 13.569 0.701 -1.104 1.00 0.00 H new ATOM 0 HB2 GLU A 12 16.022 2.181 -0.003 1.00 0.00 H new ATOM 0 HB3 GLU A 12 16.042 1.287 -1.510 1.00 0.00 H new ATOM 0 HG2 GLU A 12 14.151 2.777 -2.343 1.00 0.00 H new ATOM 0 HG3 GLU A 12 14.314 3.726 -0.878 1.00 0.00 H new ATOM 182 N SER A 13 14.659 -0.795 1.399 1.00 0.00 N ATOM 183 CA SER A 13 14.971 -2.139 1.929 1.00 0.00 C ATOM 184 C SER A 13 13.911 -2.690 2.897 1.00 0.00 C ATOM 185 O SER A 13 14.154 -3.660 3.616 1.00 0.00 O ATOM 186 CB SER A 13 16.384 -2.140 2.526 1.00 0.00 C ATOM 187 OG SER A 13 17.292 -1.806 1.486 1.00 0.00 O ATOM 0 H SER A 13 14.267 -0.172 2.105 1.00 0.00 H new ATOM 0 HA SER A 13 14.945 -2.837 1.092 1.00 0.00 H new ATOM 0 HB2 SER A 13 16.455 -1.420 3.342 1.00 0.00 H new ATOM 0 HB3 SER A 13 16.623 -3.119 2.943 1.00 0.00 H new ATOM 0 HG SER A 13 18.206 -1.797 1.840 1.00 0.00 H new ATOM 193 N ARG A 14 12.695 -2.119 2.871 1.00 0.00 N ATOM 194 CA ARG A 14 11.481 -2.620 3.554 1.00 0.00 C ATOM 195 C ARG A 14 10.417 -3.144 2.598 1.00 0.00 C ATOM 196 O ARG A 14 9.517 -3.848 3.049 1.00 0.00 O ATOM 197 CB ARG A 14 10.860 -1.502 4.392 1.00 0.00 C ATOM 198 CG ARG A 14 11.719 -1.083 5.599 1.00 0.00 C ATOM 199 CD ARG A 14 11.906 -2.199 6.641 1.00 0.00 C ATOM 200 NE ARG A 14 10.624 -2.716 7.175 1.00 0.00 N ATOM 201 CZ ARG A 14 9.884 -2.195 8.138 1.00 0.00 C ATOM 202 NH1 ARG A 14 10.191 -1.082 8.743 1.00 0.00 N ATOM 203 NH2 ARG A 14 8.799 -2.799 8.527 1.00 0.00 N ATOM 0 H ARG A 14 12.519 -1.259 2.352 1.00 0.00 H new ATOM 0 HA ARG A 14 11.808 -3.454 4.175 1.00 0.00 H new ATOM 0 HB2 ARG A 14 10.694 -0.632 3.756 1.00 0.00 H new ATOM 0 HB3 ARG A 14 9.883 -1.827 4.748 1.00 0.00 H new ATOM 0 HG2 ARG A 14 12.698 -0.762 5.243 1.00 0.00 H new ATOM 0 HG3 ARG A 14 11.257 -0.221 6.081 1.00 0.00 H new ATOM 0 HD2 ARG A 14 12.462 -3.020 6.189 1.00 0.00 H new ATOM 0 HD3 ARG A 14 12.510 -1.821 7.466 1.00 0.00 H new ATOM 0 HE ARG A 14 10.272 -3.574 6.750 1.00 0.00 H new ATOM 0 HH11 ARG A 14 11.035 -0.574 8.478 1.00 0.00 H new ATOM 0 HH12 ARG A 14 9.588 -0.720 9.481 1.00 0.00 H new ATOM 0 HH21 ARG A 14 8.518 -3.676 8.088 1.00 0.00 H new ATOM 0 HH22 ARG A 14 8.229 -2.395 9.270 1.00 0.00 H new ATOM 217 N ILE A 15 10.544 -2.900 1.289 1.00 0.00 N ATOM 218 CA ILE A 15 9.699 -3.540 0.264 1.00 0.00 C ATOM 219 C ILE A 15 9.703 -5.078 0.358 1.00 0.00 C ATOM 220 O ILE A 15 8.762 -5.747 -0.069 1.00 0.00 O ATOM 221 CB ILE A 15 10.040 -3.087 -1.173 1.00 0.00 C ATOM 222 CG1 ILE A 15 11.301 -3.719 -1.801 1.00 0.00 C ATOM 223 CG2 ILE A 15 10.105 -1.562 -1.260 1.00 0.00 C ATOM 224 CD1 ILE A 15 12.624 -3.412 -1.091 1.00 0.00 C ATOM 0 H ILE A 15 11.234 -2.254 0.906 1.00 0.00 H new ATOM 0 HA ILE A 15 8.688 -3.196 0.485 1.00 0.00 H new ATOM 0 HB ILE A 15 9.215 -3.468 -1.776 1.00 0.00 H new ATOM 0 HG12 ILE A 15 11.167 -4.800 -1.828 1.00 0.00 H new ATOM 0 HG13 ILE A 15 11.378 -3.381 -2.834 1.00 0.00 H new ATOM 0 HG21 ILE A 15 10.347 -1.266 -2.281 1.00 0.00 H new ATOM 0 HG22 ILE A 15 9.140 -1.140 -0.978 1.00 0.00 H new ATOM 0 HG23 ILE A 15 10.875 -1.191 -0.583 1.00 0.00 H new ATOM 0 HD11 ILE A 15 13.442 -3.905 -1.616 1.00 0.00 H new ATOM 0 HD12 ILE A 15 12.793 -2.335 -1.086 1.00 0.00 H new ATOM 0 HD13 ILE A 15 12.579 -3.777 -0.065 1.00 0.00 H new ATOM 236 N SER A 16 10.777 -5.616 0.947 1.00 0.00 N ATOM 237 CA SER A 16 11.031 -7.046 1.194 1.00 0.00 C ATOM 238 C SER A 16 10.251 -7.626 2.385 1.00 0.00 C ATOM 239 O SER A 16 10.293 -8.836 2.612 1.00 0.00 O ATOM 240 CB SER A 16 12.533 -7.283 1.424 1.00 0.00 C ATOM 241 OG SER A 16 13.294 -6.773 0.344 1.00 0.00 O ATOM 0 H SER A 16 11.541 -5.031 1.286 1.00 0.00 H new ATOM 0 HA SER A 16 10.681 -7.564 0.301 1.00 0.00 H new ATOM 0 HB2 SER A 16 12.843 -6.803 2.352 1.00 0.00 H new ATOM 0 HB3 SER A 16 12.724 -8.350 1.537 1.00 0.00 H new ATOM 0 HG SER A 16 14.246 -6.932 0.511 1.00 0.00 H new ATOM 247 N ASP A 17 9.534 -6.797 3.150 1.00 0.00 N ATOM 248 CA ASP A 17 8.743 -7.176 4.330 1.00 0.00 C ATOM 249 C ASP A 17 7.366 -7.777 3.942 1.00 0.00 C ATOM 250 O ASP A 17 6.305 -7.341 4.396 1.00 0.00 O ATOM 251 CB ASP A 17 8.636 -5.955 5.251 1.00 0.00 C ATOM 252 CG ASP A 17 8.234 -6.276 6.703 1.00 0.00 C ATOM 253 OD1 ASP A 17 8.101 -7.463 7.089 1.00 0.00 O ATOM 254 OD2 ASP A 17 8.130 -5.306 7.493 1.00 0.00 O ATOM 0 H ASP A 17 9.486 -5.797 2.956 1.00 0.00 H new ATOM 0 HA ASP A 17 9.246 -7.976 4.872 1.00 0.00 H new ATOM 0 HB2 ASP A 17 9.596 -5.439 5.260 1.00 0.00 H new ATOM 0 HB3 ASP A 17 7.906 -5.263 4.831 1.00 0.00 H new ATOM 259 N THR A 18 7.385 -8.725 2.998 1.00 0.00 N ATOM 260 CA THR A 18 6.225 -9.400 2.406 1.00 0.00 C ATOM 261 C THR A 18 5.419 -10.207 3.426 1.00 0.00 C ATOM 262 O THR A 18 5.945 -10.682 4.437 1.00 0.00 O ATOM 263 CB THR A 18 6.660 -10.333 1.252 1.00 0.00 C ATOM 264 OG1 THR A 18 7.602 -11.305 1.666 1.00 0.00 O ATOM 265 CG2 THR A 18 7.306 -9.579 0.097 1.00 0.00 C ATOM 0 H THR A 18 8.263 -9.061 2.604 1.00 0.00 H new ATOM 0 HA THR A 18 5.581 -8.608 2.023 1.00 0.00 H new ATOM 0 HB THR A 18 5.732 -10.806 0.930 1.00 0.00 H new ATOM 0 HG1 THR A 18 7.845 -11.871 0.904 1.00 0.00 H new ATOM 0 HG21 THR A 18 7.591 -10.284 -0.684 1.00 0.00 H new ATOM 0 HG22 THR A 18 6.597 -8.857 -0.308 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.193 -9.056 0.455 1.00 0.00 H new ATOM 273 N GLY A 19 4.141 -10.419 3.110 1.00 0.00 N ATOM 274 CA GLY A 19 3.228 -11.293 3.859 1.00 0.00 C ATOM 275 C GLY A 19 3.181 -12.725 3.320 1.00 0.00 C ATOM 276 O GLY A 19 3.886 -13.075 2.372 1.00 0.00 O ATOM 0 H GLY A 19 3.697 -9.977 2.305 1.00 0.00 H new ATOM 0 HA2 GLY A 19 3.535 -11.316 4.905 1.00 0.00 H new ATOM 0 HA3 GLY A 19 2.225 -10.868 3.830 1.00 0.00 H new ATOM 280 N SER A 20 2.323 -13.557 3.921 1.00 0.00 N ATOM 281 CA SER A 20 2.144 -14.981 3.556 1.00 0.00 C ATOM 282 C SER A 20 1.704 -15.202 2.097 1.00 0.00 C ATOM 283 O SER A 20 1.974 -16.264 1.531 1.00 0.00 O ATOM 284 CB SER A 20 1.120 -15.650 4.480 1.00 0.00 C ATOM 285 OG SER A 20 1.473 -15.510 5.847 1.00 0.00 O ATOM 0 H SER A 20 1.720 -13.262 4.689 1.00 0.00 H new ATOM 0 HA SER A 20 3.129 -15.432 3.672 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.137 -15.210 4.312 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.043 -16.708 4.231 1.00 0.00 H new ATOM 0 HG SER A 20 1.234 -14.611 6.156 1.00 0.00 H new ATOM 291 N ALA A 21 1.061 -14.205 1.476 1.00 0.00 N ATOM 292 CA ALA A 21 0.720 -14.190 0.050 1.00 0.00 C ATOM 293 C ALA A 21 1.933 -14.147 -0.902 1.00 0.00 C ATOM 294 O ALA A 21 1.779 -14.390 -2.104 1.00 0.00 O ATOM 295 CB ALA A 21 -0.202 -12.985 -0.209 1.00 0.00 C ATOM 0 H ALA A 21 0.756 -13.364 1.966 1.00 0.00 H new ATOM 0 HA ALA A 21 0.224 -15.135 -0.171 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.470 -12.952 -1.265 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.106 -13.083 0.392 1.00 0.00 H new ATOM 0 HB3 ALA A 21 0.316 -12.065 0.062 1.00 0.00 H new ATOM 301 N GLY A 22 3.132 -13.820 -0.399 1.00 0.00 N ATOM 302 CA GLY A 22 4.365 -13.729 -1.189 1.00 0.00 C ATOM 303 C GLY A 22 4.628 -12.334 -1.761 1.00 0.00 C ATOM 304 O GLY A 22 5.432 -12.202 -2.674 1.00 0.00 O ATOM 0 H GLY A 22 3.273 -13.607 0.589 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.209 -14.021 -0.564 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.314 -14.445 -2.010 1.00 0.00 H new ATOM 308 N LEU A 23 3.956 -11.291 -1.253 1.00 0.00 N ATOM 309 CA LEU A 23 4.127 -9.898 -1.702 1.00 0.00 C ATOM 310 C LEU A 23 3.897 -8.865 -0.585 1.00 0.00 C ATOM 311 O LEU A 23 3.465 -9.212 0.516 1.00 0.00 O ATOM 312 CB LEU A 23 3.244 -9.665 -2.954 1.00 0.00 C ATOM 313 CG LEU A 23 1.712 -9.644 -2.755 1.00 0.00 C ATOM 314 CD1 LEU A 23 1.214 -8.294 -2.238 1.00 0.00 C ATOM 315 CD2 LEU A 23 1.023 -9.897 -4.093 1.00 0.00 C ATOM 0 H LEU A 23 3.267 -11.391 -0.507 1.00 0.00 H new ATOM 0 HA LEU A 23 5.170 -9.744 -1.980 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.538 -8.715 -3.400 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.478 -10.444 -3.680 1.00 0.00 H new ATOM 0 HG LEU A 23 1.477 -10.416 -2.023 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.132 -8.329 -2.114 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.682 -8.077 -1.278 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.473 -7.513 -2.953 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.058 -9.882 -3.954 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.308 -9.120 -4.802 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.326 -10.870 -4.480 1.00 0.00 H new ATOM 327 N MET A 24 4.166 -7.597 -0.881 1.00 0.00 N ATOM 328 CA MET A 24 3.831 -6.422 -0.061 1.00 0.00 C ATOM 329 C MET A 24 3.068 -5.396 -0.929 1.00 0.00 C ATOM 330 O MET A 24 3.299 -5.312 -2.140 1.00 0.00 O ATOM 331 CB MET A 24 5.133 -5.799 0.485 1.00 0.00 C ATOM 332 CG MET A 24 4.882 -4.806 1.636 1.00 0.00 C ATOM 333 SD MET A 24 6.213 -3.620 1.956 1.00 0.00 S ATOM 334 CE MET A 24 5.994 -2.514 0.532 1.00 0.00 C ATOM 0 H MET A 24 4.648 -7.341 -1.742 1.00 0.00 H new ATOM 0 HA MET A 24 3.199 -6.717 0.777 1.00 0.00 H new ATOM 0 HB2 MET A 24 5.792 -6.594 0.834 1.00 0.00 H new ATOM 0 HB3 MET A 24 5.653 -5.286 -0.324 1.00 0.00 H new ATOM 0 HG2 MET A 24 3.970 -4.250 1.419 1.00 0.00 H new ATOM 0 HG3 MET A 24 4.700 -5.374 2.548 1.00 0.00 H new ATOM 0 HE1 MET A 24 6.499 -1.568 0.725 1.00 0.00 H new ATOM 0 HE2 MET A 24 6.420 -2.978 -0.358 1.00 0.00 H new ATOM 0 HE3 MET A 24 4.931 -2.332 0.373 1.00 0.00 H new ATOM 344 N LEU A 25 2.202 -4.591 -0.311 1.00 0.00 N ATOM 345 CA LEU A 25 1.403 -3.541 -0.959 1.00 0.00 C ATOM 346 C LEU A 25 1.753 -2.177 -0.331 1.00 0.00 C ATOM 347 O LEU A 25 1.876 -2.067 0.890 1.00 0.00 O ATOM 348 CB LEU A 25 -0.086 -3.898 -0.768 1.00 0.00 C ATOM 349 CG LEU A 25 -1.064 -3.462 -1.877 1.00 0.00 C ATOM 350 CD1 LEU A 25 -2.473 -3.948 -1.523 1.00 0.00 C ATOM 351 CD2 LEU A 25 -1.143 -1.953 -2.097 1.00 0.00 C ATOM 0 H LEU A 25 2.029 -4.652 0.692 1.00 0.00 H new ATOM 0 HA LEU A 25 1.616 -3.474 -2.026 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.162 -4.980 -0.657 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.421 -3.457 0.171 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.680 -3.904 -2.796 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.170 -3.643 -2.304 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.473 -5.035 -1.441 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.780 -3.512 -0.572 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.854 -1.738 -2.895 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.471 -1.468 -1.178 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.160 -1.574 -2.376 1.00 0.00 H new ATOM 363 N VAL A 26 1.905 -1.129 -1.138 1.00 0.00 N ATOM 364 CA VAL A 26 2.198 0.242 -0.677 1.00 0.00 C ATOM 365 C VAL A 26 1.349 1.267 -1.423 1.00 0.00 C ATOM 366 O VAL A 26 1.073 1.094 -2.607 1.00 0.00 O ATOM 367 CB VAL A 26 3.707 0.560 -0.784 1.00 0.00 C ATOM 368 CG1 VAL A 26 4.249 0.433 -2.211 1.00 0.00 C ATOM 369 CG2 VAL A 26 4.078 1.952 -0.251 1.00 0.00 C ATOM 0 H VAL A 26 1.828 -1.202 -2.152 1.00 0.00 H new ATOM 0 HA VAL A 26 1.930 0.304 0.378 1.00 0.00 H new ATOM 0 HB VAL A 26 4.173 -0.196 -0.153 1.00 0.00 H new ATOM 0 HG11 VAL A 26 5.313 0.669 -2.218 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.101 -0.587 -2.567 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.719 1.126 -2.864 1.00 0.00 H new ATOM 0 HG21 VAL A 26 5.152 2.108 -0.357 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.543 2.713 -0.818 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.803 2.024 0.801 1.00 0.00 H new ATOM 379 N GLU A 27 0.970 2.348 -0.744 1.00 0.00 N ATOM 380 CA GLU A 27 0.217 3.491 -1.272 1.00 0.00 C ATOM 381 C GLU A 27 1.065 4.759 -1.090 1.00 0.00 C ATOM 382 O GLU A 27 1.136 5.335 0.001 1.00 0.00 O ATOM 383 CB GLU A 27 -1.152 3.601 -0.575 1.00 0.00 C ATOM 384 CG GLU A 27 -1.950 4.829 -1.030 1.00 0.00 C ATOM 385 CD GLU A 27 -3.295 4.918 -0.285 1.00 0.00 C ATOM 386 OE1 GLU A 27 -3.352 5.564 0.787 1.00 0.00 O ATOM 387 OE2 GLU A 27 -4.307 4.367 -0.784 1.00 0.00 O ATOM 0 H GLU A 27 1.191 2.459 0.246 1.00 0.00 H new ATOM 0 HA GLU A 27 0.016 3.357 -2.335 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.732 2.700 -0.777 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.003 3.649 0.504 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -1.369 5.733 -0.848 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.128 4.775 -2.104 1.00 0.00 H new ATOM 394 N PHE A 28 1.751 5.183 -2.150 1.00 0.00 N ATOM 395 CA PHE A 28 2.409 6.486 -2.154 1.00 0.00 C ATOM 396 C PHE A 28 1.349 7.584 -2.329 1.00 0.00 C ATOM 397 O PHE A 28 0.446 7.447 -3.160 1.00 0.00 O ATOM 398 CB PHE A 28 3.453 6.564 -3.264 1.00 0.00 C ATOM 399 CG PHE A 28 4.559 5.523 -3.312 1.00 0.00 C ATOM 400 CD1 PHE A 28 4.308 4.228 -3.809 1.00 0.00 C ATOM 401 CD2 PHE A 28 5.874 5.885 -2.968 1.00 0.00 C ATOM 402 CE1 PHE A 28 5.360 3.310 -3.943 1.00 0.00 C ATOM 403 CE2 PHE A 28 6.928 4.965 -3.101 1.00 0.00 C ATOM 404 CZ PHE A 28 6.670 3.678 -3.601 1.00 0.00 C ATOM 0 H PHE A 28 1.865 4.647 -3.010 1.00 0.00 H new ATOM 0 HA PHE A 28 2.926 6.629 -1.205 1.00 0.00 H new ATOM 0 HB2 PHE A 28 2.924 6.526 -4.216 1.00 0.00 H new ATOM 0 HB3 PHE A 28 3.926 7.544 -3.202 1.00 0.00 H new ATOM 0 HD1 PHE A 28 3.304 3.942 -4.087 1.00 0.00 H new ATOM 0 HD2 PHE A 28 6.076 6.879 -2.598 1.00 0.00 H new ATOM 0 HE1 PHE A 28 5.161 2.315 -4.311 1.00 0.00 H new ATOM 0 HE2 PHE A 28 7.932 5.246 -2.820 1.00 0.00 H new ATOM 0 HZ PHE A 28 7.479 2.973 -3.722 1.00 0.00 H new ATOM 414 N PHE A 29 1.436 8.671 -1.556 1.00 0.00 N ATOM 415 CA PHE A 29 0.367 9.680 -1.471 1.00 0.00 C ATOM 416 C PHE A 29 0.888 11.079 -1.092 1.00 0.00 C ATOM 417 O PHE A 29 2.032 11.219 -0.669 1.00 0.00 O ATOM 418 CB PHE A 29 -0.659 9.161 -0.443 1.00 0.00 C ATOM 419 CG PHE A 29 -1.940 9.964 -0.291 1.00 0.00 C ATOM 420 CD1 PHE A 29 -2.769 10.196 -1.404 1.00 0.00 C ATOM 421 CD2 PHE A 29 -2.343 10.425 0.982 1.00 0.00 C ATOM 422 CE1 PHE A 29 -3.993 10.868 -1.248 1.00 0.00 C ATOM 423 CE2 PHE A 29 -3.567 11.097 1.135 1.00 0.00 C ATOM 424 CZ PHE A 29 -4.394 11.318 0.020 1.00 0.00 C ATOM 0 H PHE A 29 2.246 8.879 -0.972 1.00 0.00 H new ATOM 0 HA PHE A 29 -0.091 9.810 -2.452 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.928 8.141 -0.716 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.171 9.112 0.530 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -2.463 9.856 -2.382 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -1.708 10.260 1.840 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -4.627 11.039 -2.106 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.873 11.444 2.111 1.00 0.00 H new ATOM 0 HZ PHE A 29 -5.336 11.833 0.139 1.00 0.00 H new ATOM 434 N ALA A 30 0.056 12.119 -1.192 1.00 0.00 N ATOM 435 CA ALA A 30 0.351 13.457 -0.664 1.00 0.00 C ATOM 436 C ALA A 30 -0.887 13.980 0.110 1.00 0.00 C ATOM 437 O ALA A 30 -1.882 14.347 -0.523 1.00 0.00 O ATOM 438 CB ALA A 30 0.751 14.389 -1.812 1.00 0.00 C ATOM 0 H ALA A 30 -0.854 12.056 -1.648 1.00 0.00 H new ATOM 0 HA ALA A 30 1.191 13.418 0.030 1.00 0.00 H new ATOM 0 HB1 ALA A 30 0.969 15.381 -1.416 1.00 0.00 H new ATOM 0 HB2 ALA A 30 1.637 13.994 -2.310 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -0.068 14.456 -2.528 1.00 0.00 H new ATOM 444 N PRO A 31 -0.866 13.977 1.461 1.00 0.00 N ATOM 445 CA PRO A 31 -2.054 14.260 2.265 1.00 0.00 C ATOM 446 C PRO A 31 -2.437 15.744 2.325 1.00 0.00 C ATOM 447 O PRO A 31 -3.585 16.060 2.643 1.00 0.00 O ATOM 448 CB PRO A 31 -1.722 13.701 3.651 1.00 0.00 C ATOM 449 CG PRO A 31 -0.206 13.849 3.744 1.00 0.00 C ATOM 450 CD PRO A 31 0.243 13.568 2.313 1.00 0.00 C ATOM 0 HA PRO A 31 -2.935 13.798 1.819 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -2.228 14.258 4.440 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -2.030 12.660 3.748 1.00 0.00 H new ATOM 0 HG2 PRO A 31 0.085 14.847 4.072 1.00 0.00 H new ATOM 0 HG3 PRO A 31 0.228 13.142 4.451 1.00 0.00 H new ATOM 0 HD2 PRO A 31 1.148 14.125 2.071 1.00 0.00 H new ATOM 0 HD3 PRO A 31 0.473 12.511 2.176 1.00 0.00 H new ATOM 458 N TRP A 32 -1.501 16.655 2.023 1.00 0.00 N ATOM 459 CA TRP A 32 -1.676 18.118 2.011 1.00 0.00 C ATOM 460 C TRP A 32 -2.513 18.671 3.189 1.00 0.00 C ATOM 461 O TRP A 32 -3.392 19.523 3.020 1.00 0.00 O ATOM 462 CB TRP A 32 -2.169 18.552 0.616 1.00 0.00 C ATOM 463 CG TRP A 32 -1.220 18.312 -0.519 1.00 0.00 C ATOM 464 CD1 TRP A 32 -1.440 17.484 -1.568 1.00 0.00 C ATOM 465 CD2 TRP A 32 0.097 18.902 -0.757 1.00 0.00 C ATOM 466 NE1 TRP A 32 -0.362 17.518 -2.430 1.00 0.00 N ATOM 467 CE2 TRP A 32 0.619 18.372 -1.975 1.00 0.00 C ATOM 468 CE3 TRP A 32 0.912 19.835 -0.067 1.00 0.00 C ATOM 469 CZ2 TRP A 32 1.883 18.725 -2.474 1.00 0.00 C ATOM 470 CZ3 TRP A 32 2.172 20.212 -0.569 1.00 0.00 C ATOM 471 CH2 TRP A 32 2.662 19.655 -1.767 1.00 0.00 C ATOM 0 H TRP A 32 -0.553 16.380 1.767 1.00 0.00 H new ATOM 0 HA TRP A 32 -0.705 18.581 2.188 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -3.100 18.028 0.402 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -2.403 19.616 0.650 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -2.328 16.885 -1.709 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -0.300 16.979 -3.294 1.00 0.00 H new ATOM 0 HE3 TRP A 32 0.560 20.264 0.860 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 2.251 18.287 -3.390 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 2.768 20.934 -0.031 1.00 0.00 H new ATOM 0 HH2 TRP A 32 3.634 19.943 -2.140 1.00 0.00 H new ATOM 482 N CYS A 33 -2.233 18.158 4.397 1.00 0.00 N ATOM 483 CA CYS A 33 -2.845 18.533 5.682 1.00 0.00 C ATOM 484 C CYS A 33 -4.392 18.421 5.741 1.00 0.00 C ATOM 485 O CYS A 33 -5.035 19.165 6.487 1.00 0.00 O ATOM 486 CB CYS A 33 -2.311 19.916 6.112 1.00 0.00 C ATOM 487 SG CYS A 33 -0.489 19.939 6.160 1.00 0.00 S ATOM 0 H CYS A 33 -1.531 17.426 4.510 1.00 0.00 H new ATOM 0 HA CYS A 33 -2.536 17.786 6.413 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -2.668 20.677 5.418 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -2.706 20.171 7.096 1.00 0.00 H new ATOM 0 HG CYS A 33 -0.079 21.118 6.523 1.00 0.00 H new ATOM 493 N GLY A 34 -5.006 17.498 4.987 1.00 0.00 N ATOM 494 CA GLY A 34 -6.470 17.278 5.038 1.00 0.00 C ATOM 495 C GLY A 34 -7.034 16.018 4.365 1.00 0.00 C ATOM 496 O GLY A 34 -8.152 15.609 4.694 1.00 0.00 O ATOM 0 H GLY A 34 -4.516 16.888 4.332 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -6.768 17.259 6.086 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -6.954 18.143 4.585 1.00 0.00 H new ATOM 500 N HIS A 35 -6.296 15.371 3.462 1.00 0.00 N ATOM 501 CA HIS A 35 -6.795 14.241 2.666 1.00 0.00 C ATOM 502 C HIS A 35 -6.468 12.860 3.269 1.00 0.00 C ATOM 503 O HIS A 35 -7.083 11.865 2.882 1.00 0.00 O ATOM 504 CB HIS A 35 -6.261 14.362 1.229 1.00 0.00 C ATOM 505 CG HIS A 35 -6.487 15.720 0.613 1.00 0.00 C ATOM 506 ND1 HIS A 35 -5.633 16.795 0.691 1.00 0.00 N ATOM 507 CD2 HIS A 35 -7.595 16.139 -0.079 1.00 0.00 C ATOM 508 CE1 HIS A 35 -6.195 17.837 0.061 1.00 0.00 C ATOM 509 NE2 HIS A 35 -7.399 17.483 -0.433 1.00 0.00 N ATOM 0 H HIS A 35 -5.327 15.616 3.258 1.00 0.00 H new ATOM 0 HA HIS A 35 -7.883 14.299 2.668 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -5.193 14.145 1.228 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -6.741 13.606 0.607 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -4.723 16.799 1.152 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -8.464 15.541 -0.310 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -5.749 18.816 -0.036 1.00 0.00 H new ATOM 517 N CYS A 36 -5.562 12.786 4.261 1.00 0.00 N ATOM 518 CA CYS A 36 -5.271 11.544 4.992 1.00 0.00 C ATOM 519 C CYS A 36 -6.502 11.040 5.762 1.00 0.00 C ATOM 520 O CYS A 36 -6.861 9.868 5.679 1.00 0.00 O ATOM 521 CB CYS A 36 -4.087 11.802 5.943 1.00 0.00 C ATOM 522 SG CYS A 36 -3.474 10.245 6.647 1.00 0.00 S ATOM 0 H CYS A 36 -5.013 13.586 4.576 1.00 0.00 H new ATOM 0 HA CYS A 36 -5.008 10.761 4.281 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -3.284 12.303 5.403 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -4.398 12.471 6.745 1.00 0.00 H new ATOM 0 HG CYS A 36 -2.476 10.492 7.442 1.00 0.00 H new ATOM 528 N LYS A 37 -7.197 11.951 6.457 1.00 0.00 N ATOM 529 CA LYS A 37 -8.380 11.678 7.308 1.00 0.00 C ATOM 530 C LYS A 37 -9.520 10.952 6.581 1.00 0.00 C ATOM 531 O LYS A 37 -10.285 10.210 7.204 1.00 0.00 O ATOM 532 CB LYS A 37 -8.905 13.014 7.865 1.00 0.00 C ATOM 533 CG LYS A 37 -7.898 13.730 8.784 1.00 0.00 C ATOM 534 CD LYS A 37 -8.346 15.165 9.104 1.00 0.00 C ATOM 535 CE LYS A 37 -9.688 15.268 9.853 1.00 0.00 C ATOM 536 NZ LYS A 37 -9.622 14.712 11.230 1.00 0.00 N ATOM 0 H LYS A 37 -6.946 12.940 6.446 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.049 11.008 8.102 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -9.158 13.672 7.033 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -9.826 12.832 8.419 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -7.787 13.168 9.711 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -6.919 13.752 8.305 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -7.573 15.647 9.703 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -8.422 15.724 8.171 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -9.992 16.313 9.902 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -10.456 14.739 9.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -10.551 14.807 11.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -9.359 13.707 11.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -8.910 15.233 11.781 1.00 0.00 H new ATOM 550 N ARG A 38 -9.620 11.174 5.263 1.00 0.00 N ATOM 551 CA ARG A 38 -10.699 10.685 4.386 1.00 0.00 C ATOM 552 C ARG A 38 -10.467 9.284 3.807 1.00 0.00 C ATOM 553 O ARG A 38 -11.421 8.685 3.306 1.00 0.00 O ATOM 554 CB ARG A 38 -10.914 11.729 3.268 1.00 0.00 C ATOM 555 CG ARG A 38 -11.509 13.041 3.814 1.00 0.00 C ATOM 556 CD ARG A 38 -11.547 14.130 2.736 1.00 0.00 C ATOM 557 NE ARG A 38 -12.431 15.253 3.126 1.00 0.00 N ATOM 558 CZ ARG A 38 -12.158 16.270 3.926 1.00 0.00 C ATOM 559 NH1 ARG A 38 -10.999 16.451 4.498 1.00 0.00 N ATOM 560 NH2 ARG A 38 -13.078 17.155 4.176 1.00 0.00 N ATOM 0 H ARG A 38 -8.924 11.721 4.756 1.00 0.00 H new ATOM 0 HA ARG A 38 -11.595 10.572 4.996 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -9.963 11.938 2.778 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -11.579 11.317 2.509 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -12.518 12.858 4.184 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -10.916 13.386 4.661 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -10.538 14.504 2.560 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -11.896 13.701 1.797 1.00 0.00 H new ATOM 0 HE ARG A 38 -13.370 15.240 2.727 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -10.242 15.787 4.337 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -10.850 17.257 5.106 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -14.003 17.062 3.756 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -12.875 17.942 4.792 1.00 0.00 H new ATOM 574 N LEU A 39 -9.246 8.744 3.920 1.00 0.00 N ATOM 575 CA LEU A 39 -8.858 7.445 3.354 1.00 0.00 C ATOM 576 C LEU A 39 -8.092 6.521 4.324 1.00 0.00 C ATOM 577 O LEU A 39 -8.183 5.299 4.205 1.00 0.00 O ATOM 578 CB LEU A 39 -8.023 7.748 2.098 1.00 0.00 C ATOM 579 CG LEU A 39 -7.566 6.499 1.322 1.00 0.00 C ATOM 580 CD1 LEU A 39 -8.744 5.680 0.799 1.00 0.00 C ATOM 581 CD2 LEU A 39 -6.716 6.964 0.143 1.00 0.00 C ATOM 0 H LEU A 39 -8.485 9.207 4.417 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.762 6.882 3.124 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.608 8.381 1.431 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.143 8.321 2.391 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.000 5.858 1.998 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.371 4.810 0.259 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -9.359 5.351 1.637 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.344 6.294 0.128 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -6.378 6.098 -0.426 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -7.311 7.611 -0.501 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.851 7.515 0.513 1.00 0.00 H new ATOM 593 N ALA A 40 -7.384 7.080 5.308 1.00 0.00 N ATOM 594 CA ALA A 40 -6.613 6.316 6.290 1.00 0.00 C ATOM 595 C ALA A 40 -7.410 5.208 7.019 1.00 0.00 C ATOM 596 O ALA A 40 -6.877 4.098 7.113 1.00 0.00 O ATOM 597 CB ALA A 40 -5.942 7.283 7.274 1.00 0.00 C ATOM 0 H ALA A 40 -7.330 8.089 5.446 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.853 5.767 5.734 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.367 6.716 8.006 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.276 7.952 6.729 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.705 7.869 7.786 1.00 0.00 H new ATOM 603 N PRO A 41 -8.668 5.415 7.483 1.00 0.00 N ATOM 604 CA PRO A 41 -9.391 4.371 8.214 1.00 0.00 C ATOM 605 C PRO A 41 -9.787 3.189 7.317 1.00 0.00 C ATOM 606 O PRO A 41 -9.965 2.090 7.840 1.00 0.00 O ATOM 607 CB PRO A 41 -10.616 5.059 8.832 1.00 0.00 C ATOM 608 CG PRO A 41 -10.874 6.240 7.903 1.00 0.00 C ATOM 609 CD PRO A 41 -9.472 6.631 7.445 1.00 0.00 C ATOM 0 HA PRO A 41 -8.756 3.929 8.982 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -11.474 4.388 8.874 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -10.418 5.388 9.852 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -11.510 5.961 7.063 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -11.372 7.059 8.421 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -9.495 7.049 6.439 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -9.050 7.395 8.098 1.00 0.00 H new ATOM 617 N GLU A 42 -9.875 3.371 5.993 1.00 0.00 N ATOM 618 CA GLU A 42 -10.107 2.252 5.068 1.00 0.00 C ATOM 619 C GLU A 42 -8.827 1.443 4.808 1.00 0.00 C ATOM 620 O GLU A 42 -8.852 0.215 4.736 1.00 0.00 O ATOM 621 CB GLU A 42 -10.671 2.766 3.733 1.00 0.00 C ATOM 622 CG GLU A 42 -12.090 3.331 3.894 1.00 0.00 C ATOM 623 CD GLU A 42 -12.736 3.600 2.524 1.00 0.00 C ATOM 624 OE1 GLU A 42 -13.004 2.622 1.784 1.00 0.00 O ATOM 625 OE2 GLU A 42 -12.991 4.779 2.188 1.00 0.00 O ATOM 0 H GLU A 42 -9.789 4.280 5.538 1.00 0.00 H new ATOM 0 HA GLU A 42 -10.832 1.591 5.542 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -10.015 3.540 3.335 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -10.683 1.953 3.007 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -12.703 2.628 4.457 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -12.054 4.255 4.471 1.00 0.00 H new ATOM 632 N TYR A 43 -7.683 2.119 4.704 1.00 0.00 N ATOM 633 CA TYR A 43 -6.396 1.458 4.475 1.00 0.00 C ATOM 634 C TYR A 43 -5.906 0.704 5.735 1.00 0.00 C ATOM 635 O TYR A 43 -5.381 -0.404 5.640 1.00 0.00 O ATOM 636 CB TYR A 43 -5.411 2.518 3.964 1.00 0.00 C ATOM 637 CG TYR A 43 -4.237 1.968 3.187 1.00 0.00 C ATOM 638 CD1 TYR A 43 -4.430 1.317 1.948 1.00 0.00 C ATOM 639 CD2 TYR A 43 -2.935 2.143 3.689 1.00 0.00 C ATOM 640 CE1 TYR A 43 -3.323 0.813 1.233 1.00 0.00 C ATOM 641 CE2 TYR A 43 -1.827 1.649 2.982 1.00 0.00 C ATOM 642 CZ TYR A 43 -2.021 0.981 1.754 1.00 0.00 C ATOM 643 OH TYR A 43 -0.933 0.519 1.077 1.00 0.00 O ATOM 0 H TYR A 43 -7.621 3.135 4.775 1.00 0.00 H new ATOM 0 HA TYR A 43 -6.491 0.680 3.718 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -5.952 3.221 3.330 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -5.033 3.083 4.816 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -5.427 1.205 1.547 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -2.786 2.661 4.625 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -3.470 0.302 0.293 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -0.830 1.780 3.376 1.00 0.00 H new ATOM 0 HH TYR A 43 -0.139 1.026 1.348 1.00 0.00 H new ATOM 653 N GLU A 44 -6.182 1.242 6.934 1.00 0.00 N ATOM 654 CA GLU A 44 -5.990 0.566 8.231 1.00 0.00 C ATOM 655 C GLU A 44 -6.904 -0.656 8.378 1.00 0.00 C ATOM 656 O GLU A 44 -6.482 -1.719 8.839 1.00 0.00 O ATOM 657 CB GLU A 44 -6.340 1.527 9.370 1.00 0.00 C ATOM 658 CG GLU A 44 -5.338 2.670 9.502 1.00 0.00 C ATOM 659 CD GLU A 44 -4.222 2.321 10.506 1.00 0.00 C ATOM 660 OE1 GLU A 44 -3.339 1.488 10.189 1.00 0.00 O ATOM 661 OE2 GLU A 44 -4.227 2.874 11.630 1.00 0.00 O ATOM 0 H GLU A 44 -6.556 2.186 7.033 1.00 0.00 H new ATOM 0 HA GLU A 44 -4.948 0.251 8.274 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -7.335 1.939 9.200 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -6.380 0.973 10.308 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.899 2.887 8.528 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.854 3.573 9.827 1.00 0.00 H new ATOM 668 N ALA A 45 -8.161 -0.503 7.972 1.00 0.00 N ATOM 669 CA ALA A 45 -9.138 -1.596 7.965 1.00 0.00 C ATOM 670 C ALA A 45 -8.671 -2.747 7.059 1.00 0.00 C ATOM 671 O ALA A 45 -8.683 -3.898 7.490 1.00 0.00 O ATOM 672 CB ALA A 45 -10.526 -1.076 7.582 1.00 0.00 C ATOM 0 H ALA A 45 -8.536 0.384 7.637 1.00 0.00 H new ATOM 0 HA ALA A 45 -9.215 -2.003 8.973 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -11.237 -1.902 7.582 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -10.844 -0.323 8.303 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -10.486 -0.632 6.587 1.00 0.00 H new ATOM 678 N ALA A 46 -8.179 -2.458 5.848 1.00 0.00 N ATOM 679 CA ALA A 46 -7.561 -3.455 4.975 1.00 0.00 C ATOM 680 C ALA A 46 -6.340 -4.143 5.618 1.00 0.00 C ATOM 681 O ALA A 46 -6.245 -5.371 5.609 1.00 0.00 O ATOM 682 CB ALA A 46 -7.173 -2.772 3.664 1.00 0.00 C ATOM 0 H ALA A 46 -8.200 -1.520 5.447 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.286 -4.249 4.793 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.710 -3.500 2.998 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -8.065 -2.362 3.190 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.468 -1.966 3.868 1.00 0.00 H new ATOM 688 N ALA A 47 -5.438 -3.374 6.233 1.00 0.00 N ATOM 689 CA ALA A 47 -4.247 -3.899 6.911 1.00 0.00 C ATOM 690 C ALA A 47 -4.599 -4.791 8.117 1.00 0.00 C ATOM 691 O ALA A 47 -3.915 -5.778 8.384 1.00 0.00 O ATOM 692 CB ALA A 47 -3.372 -2.714 7.336 1.00 0.00 C ATOM 0 H ALA A 47 -5.514 -2.358 6.275 1.00 0.00 H new ATOM 0 HA ALA A 47 -3.702 -4.539 6.217 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.480 -3.083 7.843 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -3.079 -2.144 6.455 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.934 -2.071 8.013 1.00 0.00 H new ATOM 698 N THR A 48 -5.696 -4.476 8.818 1.00 0.00 N ATOM 699 CA THR A 48 -6.255 -5.276 9.923 1.00 0.00 C ATOM 700 C THR A 48 -6.929 -6.552 9.406 1.00 0.00 C ATOM 701 O THR A 48 -6.717 -7.631 9.961 1.00 0.00 O ATOM 702 CB THR A 48 -7.279 -4.447 10.724 1.00 0.00 C ATOM 703 OG1 THR A 48 -6.722 -3.213 11.120 1.00 0.00 O ATOM 704 CG2 THR A 48 -7.733 -5.155 12.001 1.00 0.00 C ATOM 0 H THR A 48 -6.238 -3.633 8.629 1.00 0.00 H new ATOM 0 HA THR A 48 -5.426 -5.559 10.572 1.00 0.00 H new ATOM 0 HB THR A 48 -8.130 -4.306 10.058 1.00 0.00 H new ATOM 0 HG1 THR A 48 -6.583 -2.649 10.331 1.00 0.00 H new ATOM 0 HG21 THR A 48 -8.453 -4.529 12.528 1.00 0.00 H new ATOM 0 HG22 THR A 48 -8.199 -6.106 11.744 1.00 0.00 H new ATOM 0 HG23 THR A 48 -6.871 -5.335 12.643 1.00 0.00 H new ATOM 712 N ARG A 49 -7.712 -6.450 8.319 1.00 0.00 N ATOM 713 CA ARG A 49 -8.465 -7.570 7.717 1.00 0.00 C ATOM 714 C ARG A 49 -7.574 -8.595 6.995 1.00 0.00 C ATOM 715 O ARG A 49 -7.974 -9.750 6.839 1.00 0.00 O ATOM 716 CB ARG A 49 -9.553 -7.012 6.778 1.00 0.00 C ATOM 717 CG ARG A 49 -10.702 -6.364 7.577 1.00 0.00 C ATOM 718 CD ARG A 49 -11.620 -5.498 6.701 1.00 0.00 C ATOM 719 NE ARG A 49 -12.472 -6.307 5.801 1.00 0.00 N ATOM 720 CZ ARG A 49 -13.318 -5.830 4.896 1.00 0.00 C ATOM 721 NH1 ARG A 49 -13.499 -4.558 4.699 1.00 0.00 N ATOM 722 NH2 ARG A 49 -14.025 -6.613 4.137 1.00 0.00 N ATOM 0 H ARG A 49 -7.844 -5.569 7.822 1.00 0.00 H new ATOM 0 HA ARG A 49 -8.931 -8.122 8.533 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -9.114 -6.275 6.106 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -9.947 -7.816 6.156 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -11.293 -7.146 8.054 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -10.283 -5.750 8.375 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -12.253 -4.884 7.341 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -11.012 -4.817 6.106 1.00 0.00 H new ATOM 0 HE ARG A 49 -12.403 -7.321 5.883 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -12.979 -3.877 5.252 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -14.161 -4.241 3.991 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -13.938 -7.625 4.227 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -14.666 -6.215 3.451 1.00 0.00 H new ATOM 736 N LEU A 50 -6.364 -8.190 6.610 1.00 0.00 N ATOM 737 CA LEU A 50 -5.375 -8.979 5.861 1.00 0.00 C ATOM 738 C LEU A 50 -4.067 -9.198 6.643 1.00 0.00 C ATOM 739 O LEU A 50 -3.076 -9.654 6.064 1.00 0.00 O ATOM 740 CB LEU A 50 -5.118 -8.285 4.506 1.00 0.00 C ATOM 741 CG LEU A 50 -6.373 -8.069 3.637 1.00 0.00 C ATOM 742 CD1 LEU A 50 -5.991 -7.349 2.345 1.00 0.00 C ATOM 743 CD2 LEU A 50 -7.048 -9.399 3.299 1.00 0.00 C ATOM 0 H LEU A 50 -6.025 -7.252 6.822 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.781 -9.977 5.696 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.653 -7.317 4.693 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.401 -8.880 3.940 1.00 0.00 H new ATOM 0 HG LEU A 50 -7.077 -7.461 4.205 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -6.882 -7.199 1.735 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.548 -6.382 2.584 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.270 -7.951 1.792 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.930 -9.214 2.686 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -6.351 -10.032 2.750 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -7.346 -9.900 4.220 1.00 0.00 H new ATOM 755 N LYS A 51 -4.051 -8.887 7.948 1.00 0.00 N ATOM 756 CA LYS A 51 -2.883 -8.965 8.849 1.00 0.00 C ATOM 757 C LYS A 51 -2.177 -10.327 8.784 1.00 0.00 C ATOM 758 O LYS A 51 -2.769 -11.359 9.101 1.00 0.00 O ATOM 759 CB LYS A 51 -3.328 -8.604 10.275 1.00 0.00 C ATOM 760 CG LYS A 51 -2.143 -8.418 11.236 1.00 0.00 C ATOM 761 CD LYS A 51 -2.559 -7.828 12.596 1.00 0.00 C ATOM 762 CE LYS A 51 -3.568 -8.684 13.384 1.00 0.00 C ATOM 763 NZ LYS A 51 -2.966 -9.941 13.902 1.00 0.00 N ATOM 0 H LYS A 51 -4.888 -8.559 8.429 1.00 0.00 H new ATOM 0 HA LYS A 51 -2.136 -8.244 8.517 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -3.915 -7.686 10.247 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -3.981 -9.389 10.657 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -1.658 -9.381 11.397 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.405 -7.763 10.772 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -1.666 -7.689 13.206 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.990 -6.840 12.432 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -3.960 -8.102 14.218 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -4.413 -8.928 12.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -3.685 -10.481 14.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -2.615 -10.511 13.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -2.176 -9.711 14.538 1.00 0.00 H new ATOM 777 N GLY A 52 -0.918 -10.328 8.340 1.00 0.00 N ATOM 778 CA GLY A 52 -0.077 -11.520 8.158 1.00 0.00 C ATOM 779 C GLY A 52 -0.213 -12.198 6.788 1.00 0.00 C ATOM 780 O GLY A 52 0.708 -12.894 6.353 1.00 0.00 O ATOM 0 H GLY A 52 -0.435 -9.466 8.087 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.965 -11.239 8.307 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.325 -12.245 8.933 1.00 0.00 H new ATOM 784 N ILE A 53 -1.329 -11.982 6.077 1.00 0.00 N ATOM 785 CA ILE A 53 -1.538 -12.473 4.703 1.00 0.00 C ATOM 786 C ILE A 53 -0.869 -11.516 3.706 1.00 0.00 C ATOM 787 O ILE A 53 -0.074 -11.947 2.877 1.00 0.00 O ATOM 788 CB ILE A 53 -3.043 -12.665 4.370 1.00 0.00 C ATOM 789 CG1 ILE A 53 -3.854 -13.298 5.526 1.00 0.00 C ATOM 790 CG2 ILE A 53 -3.125 -13.539 3.103 1.00 0.00 C ATOM 791 CD1 ILE A 53 -5.358 -13.450 5.241 1.00 0.00 C ATOM 0 H ILE A 53 -2.123 -11.455 6.442 1.00 0.00 H new ATOM 0 HA ILE A 53 -1.076 -13.457 4.622 1.00 0.00 H new ATOM 0 HB ILE A 53 -3.493 -11.685 4.210 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -3.438 -14.281 5.749 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -3.726 -12.687 6.420 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -4.170 -13.697 2.837 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.613 -13.038 2.282 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.650 -14.501 3.294 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -5.848 -13.902 6.104 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -5.793 -12.469 5.049 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -5.500 -14.087 4.368 1.00 0.00 H new ATOM 803 N VAL A 54 -1.117 -10.207 3.837 1.00 0.00 N ATOM 804 CA VAL A 54 -0.418 -9.139 3.109 1.00 0.00 C ATOM 805 C VAL A 54 -0.389 -7.859 3.957 1.00 0.00 C ATOM 806 O VAL A 54 -1.445 -7.271 4.212 1.00 0.00 O ATOM 807 CB VAL A 54 -1.024 -8.920 1.703 1.00 0.00 C ATOM 808 CG1 VAL A 54 -2.541 -8.712 1.654 1.00 0.00 C ATOM 809 CG2 VAL A 54 -0.353 -7.739 0.990 1.00 0.00 C ATOM 0 H VAL A 54 -1.831 -9.850 4.472 1.00 0.00 H new ATOM 0 HA VAL A 54 0.616 -9.441 2.940 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.825 -9.863 1.194 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -2.855 -8.569 0.620 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.042 -9.587 2.067 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.807 -7.832 2.239 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.799 -7.608 0.004 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.496 -6.831 1.576 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.713 -7.937 0.883 1.00 0.00 H new ATOM 819 N PRO A 55 0.792 -7.406 4.437 1.00 0.00 N ATOM 820 CA PRO A 55 0.909 -6.106 5.083 1.00 0.00 C ATOM 821 C PRO A 55 0.812 -4.969 4.055 1.00 0.00 C ATOM 822 O PRO A 55 1.205 -5.110 2.890 1.00 0.00 O ATOM 823 CB PRO A 55 2.266 -6.131 5.796 1.00 0.00 C ATOM 824 CG PRO A 55 3.107 -7.070 4.933 1.00 0.00 C ATOM 825 CD PRO A 55 2.089 -8.060 4.371 1.00 0.00 C ATOM 0 HA PRO A 55 0.100 -5.922 5.790 1.00 0.00 H new ATOM 0 HB2 PRO A 55 2.707 -5.136 5.853 1.00 0.00 H new ATOM 0 HB3 PRO A 55 2.175 -6.499 6.818 1.00 0.00 H new ATOM 0 HG2 PRO A 55 3.620 -6.530 4.138 1.00 0.00 H new ATOM 0 HG3 PRO A 55 3.873 -7.575 5.521 1.00 0.00 H new ATOM 0 HD2 PRO A 55 2.336 -8.328 3.344 1.00 0.00 H new ATOM 0 HD3 PRO A 55 2.087 -8.984 4.950 1.00 0.00 H new ATOM 833 N LEU A 56 0.326 -3.821 4.523 1.00 0.00 N ATOM 834 CA LEU A 56 0.126 -2.594 3.745 1.00 0.00 C ATOM 835 C LEU A 56 1.030 -1.486 4.295 1.00 0.00 C ATOM 836 O LEU A 56 1.268 -1.416 5.501 1.00 0.00 O ATOM 837 CB LEU A 56 -1.359 -2.182 3.829 1.00 0.00 C ATOM 838 CG LEU A 56 -2.239 -2.637 2.654 1.00 0.00 C ATOM 839 CD1 LEU A 56 -2.241 -4.154 2.439 1.00 0.00 C ATOM 840 CD2 LEU A 56 -3.671 -2.200 2.944 1.00 0.00 C ATOM 0 H LEU A 56 0.048 -3.713 5.498 1.00 0.00 H new ATOM 0 HA LEU A 56 0.387 -2.764 2.700 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.778 -2.584 4.751 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.413 -1.096 3.902 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.831 -2.185 1.750 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.883 -4.401 1.594 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.226 -4.494 2.235 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.616 -4.648 3.335 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -4.319 -2.511 2.125 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.012 -2.661 3.871 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -3.707 -1.115 3.044 1.00 0.00 H new ATOM 852 N ALA A 57 1.493 -0.593 3.416 1.00 0.00 N ATOM 853 CA ALA A 57 2.401 0.503 3.752 1.00 0.00 C ATOM 854 C ALA A 57 2.032 1.821 3.055 1.00 0.00 C ATOM 855 O ALA A 57 1.281 1.812 2.078 1.00 0.00 O ATOM 856 CB ALA A 57 3.834 0.079 3.388 1.00 0.00 C ATOM 0 H ALA A 57 1.240 -0.614 2.428 1.00 0.00 H new ATOM 0 HA ALA A 57 2.319 0.697 4.821 1.00 0.00 H new ATOM 0 HB1 ALA A 57 4.525 0.886 3.632 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.104 -0.814 3.953 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.890 -0.136 2.321 1.00 0.00 H new ATOM 862 N LYS A 58 2.616 2.939 3.508 1.00 0.00 N ATOM 863 CA LYS A 58 2.507 4.264 2.869 1.00 0.00 C ATOM 864 C LYS A 58 3.865 4.964 2.760 1.00 0.00 C ATOM 865 O LYS A 58 4.781 4.664 3.524 1.00 0.00 O ATOM 866 CB LYS A 58 1.540 5.165 3.655 1.00 0.00 C ATOM 867 CG LYS A 58 0.096 4.661 3.640 1.00 0.00 C ATOM 868 CD LYS A 58 -0.891 5.651 4.287 1.00 0.00 C ATOM 869 CE LYS A 58 -0.577 5.922 5.767 1.00 0.00 C ATOM 870 NZ LYS A 58 -1.523 6.909 6.356 1.00 0.00 N ATOM 0 H LYS A 58 3.192 2.951 4.350 1.00 0.00 H new ATOM 0 HA LYS A 58 2.125 4.097 1.862 1.00 0.00 H new ATOM 0 HB2 LYS A 58 1.881 5.239 4.688 1.00 0.00 H new ATOM 0 HB3 LYS A 58 1.571 6.171 3.237 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -0.208 4.474 2.610 1.00 0.00 H new ATOM 0 HG3 LYS A 58 0.044 3.708 4.166 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -0.868 6.592 3.737 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.903 5.256 4.201 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -0.629 4.988 6.327 1.00 0.00 H new ATOM 0 HE3 LYS A 58 0.443 6.294 5.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -1.282 7.068 7.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -1.455 7.807 5.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -2.494 6.542 6.289 1.00 0.00 H new ATOM 884 N VAL A 59 3.948 5.937 1.842 1.00 0.00 N ATOM 885 CA VAL A 59 5.056 6.903 1.688 1.00 0.00 C ATOM 886 C VAL A 59 4.471 8.262 1.273 1.00 0.00 C ATOM 887 O VAL A 59 3.746 8.359 0.282 1.00 0.00 O ATOM 888 CB VAL A 59 6.081 6.432 0.628 1.00 0.00 C ATOM 889 CG1 VAL A 59 7.214 7.451 0.448 1.00 0.00 C ATOM 890 CG2 VAL A 59 6.733 5.093 0.984 1.00 0.00 C ATOM 0 H VAL A 59 3.212 6.083 1.151 1.00 0.00 H new ATOM 0 HA VAL A 59 5.580 6.985 2.640 1.00 0.00 H new ATOM 0 HB VAL A 59 5.504 6.324 -0.291 1.00 0.00 H new ATOM 0 HG11 VAL A 59 7.915 7.087 -0.304 1.00 0.00 H new ATOM 0 HG12 VAL A 59 6.797 8.405 0.124 1.00 0.00 H new ATOM 0 HG13 VAL A 59 7.736 7.586 1.395 1.00 0.00 H new ATOM 0 HG21 VAL A 59 7.442 4.815 0.204 1.00 0.00 H new ATOM 0 HG22 VAL A 59 7.258 5.185 1.935 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.964 4.325 1.067 1.00 0.00 H new ATOM 900 N ASP A 60 4.773 9.323 2.023 1.00 0.00 N ATOM 901 CA ASP A 60 4.228 10.667 1.784 1.00 0.00 C ATOM 902 C ASP A 60 5.115 11.466 0.813 1.00 0.00 C ATOM 903 O ASP A 60 6.147 11.998 1.214 1.00 0.00 O ATOM 904 CB ASP A 60 4.062 11.402 3.128 1.00 0.00 C ATOM 905 CG ASP A 60 3.067 10.687 4.061 1.00 0.00 C ATOM 906 OD1 ASP A 60 1.852 10.649 3.741 1.00 0.00 O ATOM 907 OD2 ASP A 60 3.493 10.180 5.127 1.00 0.00 O ATOM 0 H ASP A 60 5.407 9.277 2.820 1.00 0.00 H new ATOM 0 HA ASP A 60 3.250 10.572 1.313 1.00 0.00 H new ATOM 0 HB2 ASP A 60 5.031 11.477 3.622 1.00 0.00 H new ATOM 0 HB3 ASP A 60 3.718 12.420 2.944 1.00 0.00 H new ATOM 912 N CYS A 61 4.736 11.575 -0.463 1.00 0.00 N ATOM 913 CA CYS A 61 5.497 12.226 -1.538 1.00 0.00 C ATOM 914 C CYS A 61 5.921 13.675 -1.221 1.00 0.00 C ATOM 915 O CYS A 61 7.059 14.067 -1.488 1.00 0.00 O ATOM 916 CB CYS A 61 4.629 12.200 -2.809 1.00 0.00 C ATOM 917 SG CYS A 61 5.373 13.012 -4.252 1.00 0.00 S ATOM 0 H CYS A 61 3.849 11.195 -0.792 1.00 0.00 H new ATOM 0 HA CYS A 61 6.428 11.673 -1.667 1.00 0.00 H new ATOM 0 HB2 CYS A 61 4.413 11.162 -3.064 1.00 0.00 H new ATOM 0 HB3 CYS A 61 3.675 12.680 -2.591 1.00 0.00 H new ATOM 922 N THR A 62 5.019 14.459 -0.612 1.00 0.00 N ATOM 923 CA THR A 62 5.283 15.853 -0.189 1.00 0.00 C ATOM 924 C THR A 62 6.385 15.961 0.882 1.00 0.00 C ATOM 925 O THR A 62 7.062 16.987 0.993 1.00 0.00 O ATOM 926 CB THR A 62 3.978 16.516 0.279 1.00 0.00 C ATOM 927 OG1 THR A 62 4.152 17.904 0.438 1.00 0.00 O ATOM 928 CG2 THR A 62 3.418 15.953 1.592 1.00 0.00 C ATOM 0 H THR A 62 4.073 14.145 -0.394 1.00 0.00 H new ATOM 0 HA THR A 62 5.663 16.389 -1.059 1.00 0.00 H new ATOM 0 HB THR A 62 3.258 16.294 -0.508 1.00 0.00 H new ATOM 0 HG1 THR A 62 3.547 18.381 -0.168 1.00 0.00 H new ATOM 0 HG21 THR A 62 2.497 16.477 1.849 1.00 0.00 H new ATOM 0 HG22 THR A 62 3.210 14.890 1.472 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.149 16.092 2.389 1.00 0.00 H new ATOM 936 N ALA A 63 6.611 14.876 1.632 1.00 0.00 N ATOM 937 CA ALA A 63 7.637 14.767 2.682 1.00 0.00 C ATOM 938 C ALA A 63 8.826 13.851 2.306 1.00 0.00 C ATOM 939 O ALA A 63 9.826 13.806 3.029 1.00 0.00 O ATOM 940 CB ALA A 63 6.923 14.292 3.957 1.00 0.00 C ATOM 0 H ALA A 63 6.068 14.020 1.523 1.00 0.00 H new ATOM 0 HA ALA A 63 8.101 15.742 2.831 1.00 0.00 H new ATOM 0 HB1 ALA A 63 7.648 14.197 4.766 1.00 0.00 H new ATOM 0 HB2 ALA A 63 6.159 15.017 4.238 1.00 0.00 H new ATOM 0 HB3 ALA A 63 6.455 13.325 3.773 1.00 0.00 H new ATOM 946 N ASN A 64 8.743 13.122 1.181 1.00 0.00 N ATOM 947 CA ASN A 64 9.696 12.101 0.719 1.00 0.00 C ATOM 948 C ASN A 64 9.865 12.122 -0.812 1.00 0.00 C ATOM 949 O ASN A 64 9.743 11.134 -1.542 1.00 0.00 O ATOM 950 CB ASN A 64 9.248 10.718 1.154 1.00 0.00 C ATOM 951 CG ASN A 64 9.065 10.533 2.652 1.00 0.00 C ATOM 952 OD1 ASN A 64 9.972 10.159 3.380 1.00 0.00 O ATOM 953 ND2 ASN A 64 7.871 10.759 3.149 1.00 0.00 N ATOM 0 H ASN A 64 7.964 13.237 0.533 1.00 0.00 H new ATOM 0 HA ASN A 64 10.659 12.336 1.173 1.00 0.00 H new ATOM 0 HB2 ASN A 64 8.305 10.488 0.659 1.00 0.00 H new ATOM 0 HB3 ASN A 64 9.979 9.990 0.802 1.00 0.00 H new ATOM 0 HD21 ASN A 64 7.699 10.622 4.145 1.00 0.00 H new ATOM 0 HD22 ASN A 64 7.115 11.071 2.539 1.00 0.00 H new ATOM 960 N THR A 65 10.104 13.324 -1.291 1.00 0.00 N ATOM 961 CA THR A 65 10.101 13.715 -2.717 1.00 0.00 C ATOM 962 C THR A 65 11.224 13.047 -3.520 1.00 0.00 C ATOM 963 O THR A 65 11.027 12.709 -4.688 1.00 0.00 O ATOM 964 CB THR A 65 10.156 15.243 -2.861 1.00 0.00 C ATOM 965 OG1 THR A 65 9.148 15.843 -2.067 1.00 0.00 O ATOM 966 CG2 THR A 65 9.933 15.712 -4.299 1.00 0.00 C ATOM 0 H THR A 65 10.319 14.110 -0.677 1.00 0.00 H new ATOM 0 HA THR A 65 9.163 13.356 -3.140 1.00 0.00 H new ATOM 0 HB THR A 65 11.155 15.539 -2.541 1.00 0.00 H new ATOM 0 HG1 THR A 65 8.447 15.185 -1.877 1.00 0.00 H new ATOM 0 HG21 THR A 65 9.983 16.800 -4.339 1.00 0.00 H new ATOM 0 HG22 THR A 65 10.704 15.290 -4.943 1.00 0.00 H new ATOM 0 HG23 THR A 65 8.953 15.381 -4.642 1.00 0.00 H new ATOM 974 N ASN A 66 12.360 12.756 -2.884 1.00 0.00 N ATOM 975 CA ASN A 66 13.456 11.979 -3.479 1.00 0.00 C ATOM 976 C ASN A 66 13.024 10.548 -3.852 1.00 0.00 C ATOM 977 O ASN A 66 13.322 10.087 -4.956 1.00 0.00 O ATOM 978 CB ASN A 66 14.641 11.957 -2.495 1.00 0.00 C ATOM 979 CG ASN A 66 15.324 13.306 -2.309 1.00 0.00 C ATOM 980 OD1 ASN A 66 15.471 14.098 -3.232 1.00 0.00 O ATOM 981 ND2 ASN A 66 15.756 13.611 -1.108 1.00 0.00 N ATOM 0 H ASN A 66 12.550 13.056 -1.928 1.00 0.00 H new ATOM 0 HA ASN A 66 13.755 12.460 -4.410 1.00 0.00 H new ATOM 0 HB2 ASN A 66 14.287 11.605 -1.526 1.00 0.00 H new ATOM 0 HB3 ASN A 66 15.378 11.235 -2.847 1.00 0.00 H new ATOM 0 HD21 ASN A 66 16.214 14.507 -0.943 1.00 0.00 H new ATOM 0 HD22 ASN A 66 15.634 12.952 -0.339 1.00 0.00 H new ATOM 988 N THR A 67 12.272 9.869 -2.982 1.00 0.00 N ATOM 989 CA THR A 67 11.674 8.552 -3.278 1.00 0.00 C ATOM 990 C THR A 67 10.486 8.669 -4.245 1.00 0.00 C ATOM 991 O THR A 67 10.295 7.803 -5.093 1.00 0.00 O ATOM 992 CB THR A 67 11.282 7.850 -1.965 1.00 0.00 C ATOM 993 OG1 THR A 67 12.450 7.364 -1.341 1.00 0.00 O ATOM 994 CG2 THR A 67 10.357 6.642 -2.130 1.00 0.00 C ATOM 0 H THR A 67 12.056 10.214 -2.047 1.00 0.00 H new ATOM 0 HA THR A 67 12.419 7.939 -3.785 1.00 0.00 H new ATOM 0 HB THR A 67 10.749 8.605 -1.387 1.00 0.00 H new ATOM 0 HG1 THR A 67 13.034 8.116 -1.108 1.00 0.00 H new ATOM 0 HG21 THR A 67 10.138 6.215 -1.151 1.00 0.00 H new ATOM 0 HG22 THR A 67 9.428 6.957 -2.605 1.00 0.00 H new ATOM 0 HG23 THR A 67 10.846 5.892 -2.751 1.00 0.00 H new ATOM 1002 N CYS A 68 9.700 9.747 -4.177 1.00 0.00 N ATOM 1003 CA CYS A 68 8.515 9.943 -5.026 1.00 0.00 C ATOM 1004 C CYS A 68 8.863 10.151 -6.511 1.00 0.00 C ATOM 1005 O CYS A 68 8.324 9.473 -7.385 1.00 0.00 O ATOM 1006 CB CYS A 68 7.748 11.148 -4.480 1.00 0.00 C ATOM 1007 SG CYS A 68 6.166 11.475 -5.302 1.00 0.00 S ATOM 0 H CYS A 68 9.867 10.516 -3.527 1.00 0.00 H new ATOM 0 HA CYS A 68 7.908 9.038 -4.991 1.00 0.00 H new ATOM 0 HB2 CYS A 68 7.564 10.993 -3.417 1.00 0.00 H new ATOM 0 HB3 CYS A 68 8.378 12.033 -4.569 1.00 0.00 H new ATOM 1012 N ASN A 69 9.771 11.087 -6.815 1.00 0.00 N ATOM 1013 CA ASN A 69 10.110 11.455 -8.202 1.00 0.00 C ATOM 1014 C ASN A 69 10.904 10.362 -8.934 1.00 0.00 C ATOM 1015 O ASN A 69 10.716 10.139 -10.133 1.00 0.00 O ATOM 1016 CB ASN A 69 10.841 12.807 -8.208 1.00 0.00 C ATOM 1017 CG ASN A 69 12.357 12.748 -8.091 1.00 0.00 C ATOM 1018 OD1 ASN A 69 13.081 12.665 -9.075 1.00 0.00 O ATOM 1019 ND2 ASN A 69 12.880 12.790 -6.890 1.00 0.00 N ATOM 0 H ASN A 69 10.292 11.611 -6.111 1.00 0.00 H new ATOM 0 HA ASN A 69 9.181 11.554 -8.763 1.00 0.00 H new ATOM 0 HB2 ASN A 69 10.588 13.330 -9.130 1.00 0.00 H new ATOM 0 HB3 ASN A 69 10.456 13.409 -7.385 1.00 0.00 H new ATOM 0 HD21 ASN A 69 13.893 12.754 -6.773 1.00 0.00 H new ATOM 0 HD22 ASN A 69 12.274 12.859 -6.072 1.00 0.00 H new ATOM 1026 N LYS A 70 11.725 9.625 -8.174 1.00 0.00 N ATOM 1027 CA LYS A 70 12.473 8.430 -8.628 1.00 0.00 C ATOM 1028 C LYS A 70 11.586 7.341 -9.257 1.00 0.00 C ATOM 1029 O LYS A 70 12.048 6.603 -10.133 1.00 0.00 O ATOM 1030 CB LYS A 70 13.308 7.904 -7.444 1.00 0.00 C ATOM 1031 CG LYS A 70 14.209 6.712 -7.800 1.00 0.00 C ATOM 1032 CD LYS A 70 15.134 6.338 -6.631 1.00 0.00 C ATOM 1033 CE LYS A 70 16.017 5.149 -7.028 1.00 0.00 C ATOM 1034 NZ LYS A 70 17.003 4.821 -5.966 1.00 0.00 N ATOM 0 H LYS A 70 11.897 9.846 -7.193 1.00 0.00 H new ATOM 0 HA LYS A 70 13.133 8.726 -9.443 1.00 0.00 H new ATOM 0 HB2 LYS A 70 13.928 8.714 -7.061 1.00 0.00 H new ATOM 0 HB3 LYS A 70 12.634 7.610 -6.639 1.00 0.00 H new ATOM 0 HG2 LYS A 70 13.591 5.854 -8.066 1.00 0.00 H new ATOM 0 HG3 LYS A 70 14.809 6.957 -8.677 1.00 0.00 H new ATOM 0 HD2 LYS A 70 15.757 7.191 -6.361 1.00 0.00 H new ATOM 0 HD3 LYS A 70 14.541 6.085 -5.752 1.00 0.00 H new ATOM 0 HE2 LYS A 70 15.390 4.279 -7.224 1.00 0.00 H new ATOM 0 HE3 LYS A 70 16.543 5.379 -7.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 17.700 4.143 -6.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 17.491 5.689 -5.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 16.510 4.401 -5.152 1.00 0.00 H new ATOM 1048 N TYR A 71 10.311 7.283 -8.857 1.00 0.00 N ATOM 1049 CA TYR A 71 9.320 6.290 -9.328 1.00 0.00 C ATOM 1050 C TYR A 71 8.167 6.911 -10.134 1.00 0.00 C ATOM 1051 O TYR A 71 7.325 6.188 -10.673 1.00 0.00 O ATOM 1052 CB TYR A 71 8.784 5.490 -8.130 1.00 0.00 C ATOM 1053 CG TYR A 71 9.777 4.509 -7.538 1.00 0.00 C ATOM 1054 CD1 TYR A 71 10.835 4.992 -6.753 1.00 0.00 C ATOM 1055 CD2 TYR A 71 9.644 3.126 -7.763 1.00 0.00 C ATOM 1056 CE1 TYR A 71 11.761 4.105 -6.172 1.00 0.00 C ATOM 1057 CE2 TYR A 71 10.565 2.228 -7.191 1.00 0.00 C ATOM 1058 CZ TYR A 71 11.622 2.713 -6.385 1.00 0.00 C ATOM 1059 OH TYR A 71 12.511 1.841 -5.832 1.00 0.00 O ATOM 0 H TYR A 71 9.923 7.939 -8.179 1.00 0.00 H new ATOM 0 HA TYR A 71 9.836 5.623 -10.018 1.00 0.00 H new ATOM 0 HB2 TYR A 71 8.473 6.188 -7.352 1.00 0.00 H new ATOM 0 HB3 TYR A 71 7.894 4.944 -8.442 1.00 0.00 H new ATOM 0 HD1 TYR A 71 10.940 6.055 -6.593 1.00 0.00 H new ATOM 0 HD2 TYR A 71 8.835 2.754 -8.374 1.00 0.00 H new ATOM 0 HE1 TYR A 71 12.572 4.484 -5.568 1.00 0.00 H new ATOM 0 HE2 TYR A 71 10.465 1.167 -7.368 1.00 0.00 H new ATOM 0 HH TYR A 71 12.267 0.924 -6.078 1.00 0.00 H new ATOM 1069 N GLY A 72 8.139 8.239 -10.258 1.00 0.00 N ATOM 1070 CA GLY A 72 7.149 8.988 -11.053 1.00 0.00 C ATOM 1071 C GLY A 72 5.732 8.972 -10.459 1.00 0.00 C ATOM 1072 O GLY A 72 4.735 8.968 -11.185 1.00 0.00 O ATOM 0 H GLY A 72 8.819 8.844 -9.799 1.00 0.00 H new ATOM 0 HA2 GLY A 72 7.481 10.022 -11.148 1.00 0.00 H new ATOM 0 HA3 GLY A 72 7.115 8.571 -12.059 1.00 0.00 H new ATOM 1076 N VAL A 73 5.645 8.913 -9.125 1.00 0.00 N ATOM 1077 CA VAL A 73 4.412 8.726 -8.332 1.00 0.00 C ATOM 1078 C VAL A 73 3.402 9.878 -8.403 1.00 0.00 C ATOM 1079 O VAL A 73 2.249 9.646 -8.045 1.00 0.00 O ATOM 1080 CB VAL A 73 4.818 8.513 -6.863 1.00 0.00 C ATOM 1081 CG1 VAL A 73 3.751 8.793 -5.796 1.00 0.00 C ATOM 1082 CG2 VAL A 73 5.337 7.090 -6.650 1.00 0.00 C ATOM 0 H VAL A 73 6.472 8.998 -8.534 1.00 0.00 H new ATOM 0 HA VAL A 73 3.901 7.866 -8.764 1.00 0.00 H new ATOM 0 HB VAL A 73 5.588 9.270 -6.714 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.167 8.604 -4.807 1.00 0.00 H new ATOM 0 HG12 VAL A 73 3.433 9.834 -5.863 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.893 8.141 -5.959 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.619 6.958 -5.605 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.555 6.375 -6.908 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.207 6.921 -7.285 1.00 0.00 H new ATOM 1092 N SER A 74 3.819 11.078 -8.831 1.00 0.00 N ATOM 1093 CA SER A 74 3.129 12.396 -8.791 1.00 0.00 C ATOM 1094 C SER A 74 1.689 12.516 -9.346 1.00 0.00 C ATOM 1095 O SER A 74 1.147 13.614 -9.453 1.00 0.00 O ATOM 1096 CB SER A 74 4.045 13.446 -9.441 1.00 0.00 C ATOM 1097 OG SER A 74 4.332 13.120 -10.796 1.00 0.00 O ATOM 0 H SER A 74 4.740 11.170 -9.259 1.00 0.00 H new ATOM 0 HA SER A 74 2.959 12.561 -7.727 1.00 0.00 H new ATOM 0 HB2 SER A 74 3.568 14.425 -9.394 1.00 0.00 H new ATOM 0 HB3 SER A 74 4.976 13.517 -8.878 1.00 0.00 H new ATOM 0 HG SER A 74 4.915 13.807 -11.181 1.00 0.00 H new ATOM 1103 N GLY A 75 1.045 11.388 -9.655 1.00 0.00 N ATOM 1104 CA GLY A 75 -0.377 11.240 -9.995 1.00 0.00 C ATOM 1105 C GLY A 75 -1.180 10.552 -8.876 1.00 0.00 C ATOM 1106 O GLY A 75 -2.100 9.781 -9.163 1.00 0.00 O ATOM 0 H GLY A 75 1.533 10.493 -9.676 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -0.804 12.223 -10.193 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -0.470 10.661 -10.914 1.00 0.00 H new ATOM 1110 N TYR A 76 -0.790 10.773 -7.615 1.00 0.00 N ATOM 1111 CA TYR A 76 -1.317 10.121 -6.404 1.00 0.00 C ATOM 1112 C TYR A 76 -2.857 10.203 -6.213 1.00 0.00 C ATOM 1113 O TYR A 76 -3.491 11.140 -6.719 1.00 0.00 O ATOM 1114 CB TYR A 76 -0.562 10.635 -5.158 1.00 0.00 C ATOM 1115 CG TYR A 76 -0.077 12.077 -5.203 1.00 0.00 C ATOM 1116 CD1 TYR A 76 -0.998 13.144 -5.306 1.00 0.00 C ATOM 1117 CD2 TYR A 76 1.304 12.349 -5.165 1.00 0.00 C ATOM 1118 CE1 TYR A 76 -0.535 14.470 -5.426 1.00 0.00 C ATOM 1119 CE2 TYR A 76 1.769 13.673 -5.268 1.00 0.00 C ATOM 1120 CZ TYR A 76 0.849 14.734 -5.420 1.00 0.00 C ATOM 1121 OH TYR A 76 1.304 16.014 -5.549 1.00 0.00 O ATOM 0 H TYR A 76 -0.058 11.449 -7.397 1.00 0.00 H new ATOM 0 HA TYR A 76 -1.131 9.056 -6.542 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -1.215 10.522 -4.293 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.301 9.990 -4.992 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -2.059 12.943 -5.293 1.00 0.00 H new ATOM 0 HD2 TYR A 76 2.009 11.538 -5.056 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -1.240 15.282 -5.522 1.00 0.00 H new ATOM 0 HE2 TYR A 76 2.829 13.878 -5.231 1.00 0.00 H new ATOM 0 HH TYR A 76 2.284 16.017 -5.523 1.00 0.00 H new ATOM 1131 N PRO A 77 -3.472 9.269 -5.443 1.00 0.00 N ATOM 1132 CA PRO A 77 -2.851 8.113 -4.775 1.00 0.00 C ATOM 1133 C PRO A 77 -2.304 7.069 -5.760 1.00 0.00 C ATOM 1134 O PRO A 77 -2.901 6.794 -6.799 1.00 0.00 O ATOM 1135 CB PRO A 77 -3.944 7.508 -3.881 1.00 0.00 C ATOM 1136 CG PRO A 77 -5.242 7.920 -4.575 1.00 0.00 C ATOM 1137 CD PRO A 77 -4.902 9.286 -5.163 1.00 0.00 C ATOM 0 HA PRO A 77 -1.982 8.436 -4.201 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -3.852 6.424 -3.813 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -3.892 7.897 -2.864 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -5.529 7.208 -5.349 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -6.073 7.979 -3.873 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -5.474 9.470 -6.073 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -5.151 10.083 -4.463 1.00 0.00 H new ATOM 1145 N THR A 78 -1.162 6.480 -5.397 1.00 0.00 N ATOM 1146 CA THR A 78 -0.358 5.594 -6.262 1.00 0.00 C ATOM 1147 C THR A 78 -0.080 4.280 -5.538 1.00 0.00 C ATOM 1148 O THR A 78 0.855 4.191 -4.737 1.00 0.00 O ATOM 1149 CB THR A 78 0.922 6.299 -6.736 1.00 0.00 C ATOM 1150 OG1 THR A 78 0.552 7.423 -7.507 1.00 0.00 O ATOM 1151 CG2 THR A 78 1.794 5.415 -7.633 1.00 0.00 C ATOM 0 H THR A 78 -0.755 6.605 -4.470 1.00 0.00 H new ATOM 0 HA THR A 78 -0.923 5.357 -7.164 1.00 0.00 H new ATOM 0 HB THR A 78 1.492 6.559 -5.844 1.00 0.00 H new ATOM 0 HG1 THR A 78 1.302 8.053 -7.548 1.00 0.00 H new ATOM 0 HG21 THR A 78 2.683 5.968 -7.935 1.00 0.00 H new ATOM 0 HG22 THR A 78 2.092 4.522 -7.084 1.00 0.00 H new ATOM 0 HG23 THR A 78 1.228 5.125 -8.519 1.00 0.00 H new ATOM 1159 N LEU A 79 -0.935 3.273 -5.759 1.00 0.00 N ATOM 1160 CA LEU A 79 -0.825 1.962 -5.111 1.00 0.00 C ATOM 1161 C LEU A 79 0.004 0.987 -5.965 1.00 0.00 C ATOM 1162 O LEU A 79 -0.269 0.809 -7.158 1.00 0.00 O ATOM 1163 CB LEU A 79 -2.216 1.384 -4.801 1.00 0.00 C ATOM 1164 CG LEU A 79 -2.991 2.146 -3.708 1.00 0.00 C ATOM 1165 CD1 LEU A 79 -4.069 3.055 -4.303 1.00 0.00 C ATOM 1166 CD2 LEU A 79 -3.684 1.177 -2.751 1.00 0.00 C ATOM 0 H LEU A 79 -1.727 3.347 -6.397 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.301 2.099 -4.165 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.808 1.383 -5.716 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.104 0.345 -4.493 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.253 2.748 -3.177 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -4.592 3.574 -3.499 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.604 3.786 -4.965 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.780 2.454 -4.869 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.223 1.741 -1.990 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.386 0.555 -3.307 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.938 0.543 -2.272 1.00 0.00 H new ATOM 1178 N LYS A 80 1.000 0.330 -5.355 1.00 0.00 N ATOM 1179 CA LYS A 80 1.973 -0.545 -6.023 1.00 0.00 C ATOM 1180 C LYS A 80 2.217 -1.832 -5.226 1.00 0.00 C ATOM 1181 O LYS A 80 1.967 -1.895 -4.023 1.00 0.00 O ATOM 1182 CB LYS A 80 3.282 0.238 -6.280 1.00 0.00 C ATOM 1183 CG LYS A 80 3.110 1.373 -7.308 1.00 0.00 C ATOM 1184 CD LYS A 80 4.357 2.259 -7.483 1.00 0.00 C ATOM 1185 CE LYS A 80 5.625 1.524 -7.933 1.00 0.00 C ATOM 1186 NZ LYS A 80 5.529 1.040 -9.335 1.00 0.00 N ATOM 0 H LYS A 80 1.156 0.395 -4.349 1.00 0.00 H new ATOM 0 HA LYS A 80 1.565 -0.857 -6.984 1.00 0.00 H new ATOM 0 HB2 LYS A 80 3.639 0.658 -5.339 1.00 0.00 H new ATOM 0 HB3 LYS A 80 4.049 -0.452 -6.633 1.00 0.00 H new ATOM 0 HG2 LYS A 80 2.849 0.938 -8.273 1.00 0.00 H new ATOM 0 HG3 LYS A 80 2.272 2.000 -7.004 1.00 0.00 H new ATOM 0 HD2 LYS A 80 4.130 3.037 -8.212 1.00 0.00 H new ATOM 0 HD3 LYS A 80 4.563 2.759 -6.537 1.00 0.00 H new ATOM 0 HE2 LYS A 80 6.482 2.191 -7.839 1.00 0.00 H new ATOM 0 HE3 LYS A 80 5.806 0.678 -7.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 6.474 0.766 -9.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 4.895 0.217 -9.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 5.152 1.798 -9.939 1.00 0.00 H new ATOM 1200 N ILE A 81 2.706 -2.862 -5.919 1.00 0.00 N ATOM 1201 CA ILE A 81 2.890 -4.229 -5.419 1.00 0.00 C ATOM 1202 C ILE A 81 4.344 -4.640 -5.610 1.00 0.00 C ATOM 1203 O ILE A 81 4.938 -4.401 -6.666 1.00 0.00 O ATOM 1204 CB ILE A 81 1.953 -5.200 -6.185 1.00 0.00 C ATOM 1205 CG1 ILE A 81 0.479 -4.929 -5.829 1.00 0.00 C ATOM 1206 CG2 ILE A 81 2.286 -6.680 -5.900 1.00 0.00 C ATOM 1207 CD1 ILE A 81 -0.503 -5.721 -6.701 1.00 0.00 C ATOM 0 H ILE A 81 2.999 -2.763 -6.891 1.00 0.00 H new ATOM 0 HA ILE A 81 2.641 -4.269 -4.359 1.00 0.00 H new ATOM 0 HB ILE A 81 2.113 -5.016 -7.247 1.00 0.00 H new ATOM 0 HG12 ILE A 81 0.312 -5.181 -4.782 1.00 0.00 H new ATOM 0 HG13 ILE A 81 0.275 -3.864 -5.937 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.603 -7.321 -6.458 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.311 -6.888 -6.206 1.00 0.00 H new ATOM 0 HG23 ILE A 81 2.179 -6.878 -4.834 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -1.525 -5.488 -6.402 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -0.360 -5.451 -7.747 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -0.323 -6.789 -6.574 1.00 0.00 H new ATOM 1219 N PHE A 82 4.882 -5.338 -4.611 1.00 0.00 N ATOM 1220 CA PHE A 82 6.251 -5.856 -4.600 1.00 0.00 C ATOM 1221 C PHE A 82 6.263 -7.350 -4.247 1.00 0.00 C ATOM 1222 O PHE A 82 6.306 -7.747 -3.080 1.00 0.00 O ATOM 1223 CB PHE A 82 7.139 -5.017 -3.674 1.00 0.00 C ATOM 1224 CG PHE A 82 7.293 -3.569 -4.115 1.00 0.00 C ATOM 1225 CD1 PHE A 82 6.249 -2.638 -3.920 1.00 0.00 C ATOM 1226 CD2 PHE A 82 8.461 -3.165 -4.787 1.00 0.00 C ATOM 1227 CE1 PHE A 82 6.368 -1.326 -4.416 1.00 0.00 C ATOM 1228 CE2 PHE A 82 8.597 -1.843 -5.251 1.00 0.00 C ATOM 1229 CZ PHE A 82 7.546 -0.924 -5.067 1.00 0.00 C ATOM 0 H PHE A 82 4.364 -5.566 -3.763 1.00 0.00 H new ATOM 0 HA PHE A 82 6.673 -5.769 -5.601 1.00 0.00 H new ATOM 0 HB2 PHE A 82 6.720 -5.038 -2.668 1.00 0.00 H new ATOM 0 HB3 PHE A 82 8.126 -5.477 -3.618 1.00 0.00 H new ATOM 0 HD1 PHE A 82 5.356 -2.934 -3.389 1.00 0.00 H new ATOM 0 HD2 PHE A 82 9.259 -3.874 -4.948 1.00 0.00 H new ATOM 0 HE1 PHE A 82 5.553 -0.628 -4.296 1.00 0.00 H new ATOM 0 HE2 PHE A 82 9.505 -1.534 -5.747 1.00 0.00 H new ATOM 0 HZ PHE A 82 7.646 0.090 -5.426 1.00 0.00 H new ATOM 1239 N ARG A 83 6.180 -8.184 -5.285 1.00 0.00 N ATOM 1240 CA ARG A 83 6.226 -9.654 -5.208 1.00 0.00 C ATOM 1241 C ARG A 83 7.625 -10.127 -4.806 1.00 0.00 C ATOM 1242 O ARG A 83 8.613 -9.798 -5.461 1.00 0.00 O ATOM 1243 CB ARG A 83 5.788 -10.244 -6.558 1.00 0.00 C ATOM 1244 CG ARG A 83 5.689 -11.774 -6.530 1.00 0.00 C ATOM 1245 CD ARG A 83 5.216 -12.309 -7.894 1.00 0.00 C ATOM 1246 NE ARG A 83 5.134 -13.784 -7.902 1.00 0.00 N ATOM 1247 CZ ARG A 83 4.096 -14.537 -7.564 1.00 0.00 C ATOM 1248 NH1 ARG A 83 2.963 -14.031 -7.152 1.00 0.00 N ATOM 1249 NH2 ARG A 83 4.177 -15.835 -7.639 1.00 0.00 N ATOM 0 H ARG A 83 6.075 -7.846 -6.242 1.00 0.00 H new ATOM 0 HA ARG A 83 5.538 -10.005 -4.439 1.00 0.00 H new ATOM 0 HB2 ARG A 83 4.820 -9.826 -6.836 1.00 0.00 H new ATOM 0 HB3 ARG A 83 6.498 -9.944 -7.329 1.00 0.00 H new ATOM 0 HG2 ARG A 83 6.660 -12.203 -6.282 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.994 -12.085 -5.750 1.00 0.00 H new ATOM 0 HD2 ARG A 83 4.239 -11.889 -8.131 1.00 0.00 H new ATOM 0 HD3 ARG A 83 5.903 -11.978 -8.673 1.00 0.00 H new ATOM 0 HE ARG A 83 5.973 -14.281 -8.202 1.00 0.00 H new ATOM 0 HH11 ARG A 83 2.852 -13.020 -7.081 1.00 0.00 H new ATOM 0 HH12 ARG A 83 2.190 -14.648 -6.902 1.00 0.00 H new ATOM 0 HH21 ARG A 83 5.040 -16.275 -7.958 1.00 0.00 H new ATOM 0 HH22 ARG A 83 3.377 -16.412 -7.378 1.00 0.00 H new ATOM 1263 N ASP A 84 7.695 -10.903 -3.727 1.00 0.00 N ATOM 1264 CA ASP A 84 8.925 -11.416 -3.109 1.00 0.00 C ATOM 1265 C ASP A 84 10.005 -10.327 -2.879 1.00 0.00 C ATOM 1266 O ASP A 84 11.208 -10.572 -3.020 1.00 0.00 O ATOM 1267 CB ASP A 84 9.404 -12.643 -3.909 1.00 0.00 C ATOM 1268 CG ASP A 84 10.473 -13.473 -3.169 1.00 0.00 C ATOM 1269 OD1 ASP A 84 10.311 -13.744 -1.953 1.00 0.00 O ATOM 1270 OD2 ASP A 84 11.457 -13.916 -3.809 1.00 0.00 O ATOM 0 H ASP A 84 6.857 -11.209 -3.232 1.00 0.00 H new ATOM 0 HA ASP A 84 8.707 -11.744 -2.093 1.00 0.00 H new ATOM 0 HB2 ASP A 84 8.548 -13.280 -4.131 1.00 0.00 H new ATOM 0 HB3 ASP A 84 9.809 -12.310 -4.864 1.00 0.00 H new ATOM 1275 N GLY A 85 9.580 -9.099 -2.551 1.00 0.00 N ATOM 1276 CA GLY A 85 10.473 -7.954 -2.320 1.00 0.00 C ATOM 1277 C GLY A 85 11.039 -7.285 -3.581 1.00 0.00 C ATOM 1278 O GLY A 85 12.121 -6.698 -3.523 1.00 0.00 O ATOM 0 H GLY A 85 8.593 -8.869 -2.437 1.00 0.00 H new ATOM 0 HA2 GLY A 85 9.930 -7.203 -1.746 1.00 0.00 H new ATOM 0 HA3 GLY A 85 11.307 -8.286 -1.702 1.00 0.00 H new ATOM 1282 N GLU A 86 10.331 -7.354 -4.710 1.00 0.00 N ATOM 1283 CA GLU A 86 10.731 -6.756 -5.996 1.00 0.00 C ATOM 1284 C GLU A 86 9.482 -6.257 -6.742 1.00 0.00 C ATOM 1285 O GLU A 86 8.421 -6.880 -6.675 1.00 0.00 O ATOM 1286 CB GLU A 86 11.460 -7.785 -6.883 1.00 0.00 C ATOM 1287 CG GLU A 86 12.832 -8.205 -6.342 1.00 0.00 C ATOM 1288 CD GLU A 86 13.577 -9.079 -7.364 1.00 0.00 C ATOM 1289 OE1 GLU A 86 13.422 -10.327 -7.339 1.00 0.00 O ATOM 1290 OE2 GLU A 86 14.333 -8.523 -8.201 1.00 0.00 O ATOM 0 H GLU A 86 9.436 -7.841 -4.762 1.00 0.00 H new ATOM 0 HA GLU A 86 11.407 -5.927 -5.788 1.00 0.00 H new ATOM 0 HB2 GLU A 86 10.833 -8.671 -6.986 1.00 0.00 H new ATOM 0 HB3 GLU A 86 11.586 -7.366 -7.881 1.00 0.00 H new ATOM 0 HG2 GLU A 86 13.425 -7.319 -6.114 1.00 0.00 H new ATOM 0 HG3 GLU A 86 12.707 -8.754 -5.409 1.00 0.00 H new ATOM 1297 N GLU A 87 9.588 -5.132 -7.452 1.00 0.00 N ATOM 1298 CA GLU A 87 8.449 -4.494 -8.141 1.00 0.00 C ATOM 1299 C GLU A 87 7.715 -5.461 -9.093 1.00 0.00 C ATOM 1300 O GLU A 87 8.264 -5.886 -10.119 1.00 0.00 O ATOM 1301 CB GLU A 87 8.946 -3.242 -8.886 1.00 0.00 C ATOM 1302 CG GLU A 87 7.806 -2.491 -9.591 1.00 0.00 C ATOM 1303 CD GLU A 87 8.332 -1.272 -10.370 1.00 0.00 C ATOM 1304 OE1 GLU A 87 9.090 -1.447 -11.357 1.00 0.00 O ATOM 1305 OE2 GLU A 87 7.951 -0.129 -10.026 1.00 0.00 O ATOM 0 H GLU A 87 10.468 -4.630 -7.570 1.00 0.00 H new ATOM 0 HA GLU A 87 7.716 -4.203 -7.389 1.00 0.00 H new ATOM 0 HB2 GLU A 87 9.437 -2.573 -8.179 1.00 0.00 H new ATOM 0 HB3 GLU A 87 9.695 -3.534 -9.622 1.00 0.00 H new ATOM 0 HG2 GLU A 87 7.291 -3.167 -10.274 1.00 0.00 H new ATOM 0 HG3 GLU A 87 7.073 -2.164 -8.853 1.00 0.00 H new ATOM 1312 N ALA A 88 6.457 -5.796 -8.764 1.00 0.00 N ATOM 1313 CA ALA A 88 5.561 -6.521 -9.665 1.00 0.00 C ATOM 1314 C ALA A 88 4.985 -5.547 -10.709 1.00 0.00 C ATOM 1315 O ALA A 88 4.973 -5.848 -11.907 1.00 0.00 O ATOM 1316 CB ALA A 88 4.449 -7.178 -8.848 1.00 0.00 C ATOM 0 H ALA A 88 6.036 -5.569 -7.863 1.00 0.00 H new ATOM 0 HA ALA A 88 6.108 -7.302 -10.193 1.00 0.00 H new ATOM 0 HB1 ALA A 88 3.779 -7.720 -9.515 1.00 0.00 H new ATOM 0 HB2 ALA A 88 4.886 -7.873 -8.131 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.888 -6.411 -8.314 1.00 0.00 H new ATOM 1322 N GLY A 89 4.555 -4.362 -10.250 1.00 0.00 N ATOM 1323 CA GLY A 89 4.198 -3.229 -11.112 1.00 0.00 C ATOM 1324 C GLY A 89 3.302 -2.204 -10.425 1.00 0.00 C ATOM 1325 O GLY A 89 3.770 -1.157 -9.971 1.00 0.00 O ATOM 0 H GLY A 89 4.445 -4.163 -9.256 1.00 0.00 H new ATOM 0 HA2 GLY A 89 5.110 -2.736 -11.448 1.00 0.00 H new ATOM 0 HA3 GLY A 89 3.692 -3.604 -12.002 1.00 0.00 H new ATOM 1329 N ALA A 90 2.015 -2.525 -10.333 1.00 0.00 N ATOM 1330 CA ALA A 90 0.951 -1.653 -9.832 1.00 0.00 C ATOM 1331 C ALA A 90 -0.212 -2.477 -9.234 1.00 0.00 C ATOM 1332 O ALA A 90 -0.433 -3.629 -9.613 1.00 0.00 O ATOM 1333 CB ALA A 90 0.449 -0.793 -10.997 1.00 0.00 C ATOM 0 H ALA A 90 1.667 -3.441 -10.618 1.00 0.00 H new ATOM 0 HA ALA A 90 1.344 -1.021 -9.036 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -0.346 -0.134 -10.647 1.00 0.00 H new ATOM 0 HB2 ALA A 90 1.271 -0.194 -11.388 1.00 0.00 H new ATOM 0 HB3 ALA A 90 0.064 -1.439 -11.786 1.00 0.00 H new ATOM 1339 N TYR A 91 -0.969 -1.876 -8.317 1.00 0.00 N ATOM 1340 CA TYR A 91 -2.197 -2.450 -7.752 1.00 0.00 C ATOM 1341 C TYR A 91 -3.323 -2.589 -8.806 1.00 0.00 C ATOM 1342 O TYR A 91 -3.335 -1.881 -9.818 1.00 0.00 O ATOM 1343 CB TYR A 91 -2.613 -1.572 -6.563 1.00 0.00 C ATOM 1344 CG TYR A 91 -3.920 -1.929 -5.880 1.00 0.00 C ATOM 1345 CD1 TYR A 91 -4.109 -3.207 -5.319 1.00 0.00 C ATOM 1346 CD2 TYR A 91 -4.951 -0.975 -5.816 1.00 0.00 C ATOM 1347 CE1 TYR A 91 -5.349 -3.549 -4.743 1.00 0.00 C ATOM 1348 CE2 TYR A 91 -6.180 -1.301 -5.221 1.00 0.00 C ATOM 1349 CZ TYR A 91 -6.392 -2.598 -4.703 1.00 0.00 C ATOM 1350 OH TYR A 91 -7.599 -2.935 -4.184 1.00 0.00 O ATOM 0 H TYR A 91 -0.744 -0.957 -7.936 1.00 0.00 H new ATOM 0 HA TYR A 91 -2.008 -3.468 -7.412 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -1.818 -1.608 -5.818 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -2.680 -0.540 -6.908 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -3.303 -3.926 -5.330 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -4.797 0.012 -6.226 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -5.501 -4.537 -4.333 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -6.963 -0.560 -5.159 1.00 0.00 H new ATOM 0 HH TYR A 91 -8.171 -2.140 -4.144 1.00 0.00 H new ATOM 1360 N ASP A 92 -4.279 -3.497 -8.572 1.00 0.00 N ATOM 1361 CA ASP A 92 -5.326 -3.888 -9.532 1.00 0.00 C ATOM 1362 C ASP A 92 -6.670 -4.181 -8.836 1.00 0.00 C ATOM 1363 O ASP A 92 -7.147 -5.323 -8.777 1.00 0.00 O ATOM 1364 CB ASP A 92 -4.824 -5.056 -10.392 1.00 0.00 C ATOM 1365 CG ASP A 92 -5.804 -5.443 -11.513 1.00 0.00 C ATOM 1366 OD1 ASP A 92 -6.422 -4.541 -12.130 1.00 0.00 O ATOM 1367 OD2 ASP A 92 -5.927 -6.655 -11.820 1.00 0.00 O ATOM 0 H ASP A 92 -4.350 -3.996 -7.685 1.00 0.00 H new ATOM 0 HA ASP A 92 -5.529 -3.048 -10.197 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -3.864 -4.789 -10.833 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -4.651 -5.922 -9.753 1.00 0.00 H new ATOM 1372 N GLY A 93 -7.270 -3.130 -8.271 1.00 0.00 N ATOM 1373 CA GLY A 93 -8.600 -3.155 -7.653 1.00 0.00 C ATOM 1374 C GLY A 93 -9.077 -1.758 -7.203 1.00 0.00 C ATOM 1375 O GLY A 93 -8.362 -0.767 -7.416 1.00 0.00 O ATOM 0 H GLY A 93 -6.831 -2.210 -8.229 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -9.317 -3.568 -8.362 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -8.583 -3.823 -6.792 1.00 0.00 H new ATOM 1379 N PRO A 94 -10.275 -1.646 -6.595 1.00 0.00 N ATOM 1380 CA PRO A 94 -10.731 -0.417 -5.942 1.00 0.00 C ATOM 1381 C PRO A 94 -9.776 0.009 -4.811 1.00 0.00 C ATOM 1382 O PRO A 94 -9.299 -0.834 -4.052 1.00 0.00 O ATOM 1383 CB PRO A 94 -12.133 -0.733 -5.396 1.00 0.00 C ATOM 1384 CG PRO A 94 -12.574 -1.983 -6.157 1.00 0.00 C ATOM 1385 CD PRO A 94 -11.262 -2.699 -6.451 1.00 0.00 C ATOM 0 HA PRO A 94 -10.752 0.418 -6.642 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -12.108 -0.912 -4.321 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -12.820 0.096 -5.565 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -13.244 -2.601 -5.560 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -13.107 -1.728 -7.073 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -10.996 -3.380 -5.642 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -11.335 -3.297 -7.360 1.00 0.00 H new ATOM 1393 N ARG A 95 -9.520 1.318 -4.659 1.00 0.00 N ATOM 1394 CA ARG A 95 -8.664 1.898 -3.597 1.00 0.00 C ATOM 1395 C ARG A 95 -9.389 2.066 -2.245 1.00 0.00 C ATOM 1396 O ARG A 95 -9.319 3.112 -1.605 1.00 0.00 O ATOM 1397 CB ARG A 95 -7.957 3.174 -4.103 1.00 0.00 C ATOM 1398 CG ARG A 95 -8.874 4.329 -4.522 1.00 0.00 C ATOM 1399 CD ARG A 95 -8.041 5.583 -4.813 1.00 0.00 C ATOM 1400 NE ARG A 95 -8.890 6.735 -5.177 1.00 0.00 N ATOM 1401 CZ ARG A 95 -9.308 7.086 -6.382 1.00 0.00 C ATOM 1402 NH1 ARG A 95 -9.018 6.406 -7.453 1.00 0.00 N ATOM 1403 NH2 ARG A 95 -10.050 8.145 -6.531 1.00 0.00 N ATOM 0 H ARG A 95 -9.909 2.024 -5.283 1.00 0.00 H new ATOM 0 HA ARG A 95 -7.880 1.174 -3.373 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -7.291 3.532 -3.318 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -7.332 2.906 -4.954 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -9.444 4.048 -5.407 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -9.595 4.537 -3.731 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -7.444 5.834 -3.936 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -7.343 5.375 -5.624 1.00 0.00 H new ATOM 0 HE ARG A 95 -9.190 7.332 -4.406 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -8.446 5.564 -7.383 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -9.363 6.715 -8.362 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -10.309 8.704 -5.719 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -10.372 8.415 -7.460 1.00 0.00 H new ATOM 1417 N THR A 96 -10.115 1.030 -1.834 1.00 0.00 N ATOM 1418 CA THR A 96 -11.010 0.993 -0.658 1.00 0.00 C ATOM 1419 C THR A 96 -10.816 -0.303 0.128 1.00 0.00 C ATOM 1420 O THR A 96 -10.403 -1.303 -0.451 1.00 0.00 O ATOM 1421 CB THR A 96 -12.490 1.092 -1.075 1.00 0.00 C ATOM 1422 OG1 THR A 96 -12.834 0.071 -1.988 1.00 0.00 O ATOM 1423 CG2 THR A 96 -12.830 2.417 -1.761 1.00 0.00 C ATOM 0 H THR A 96 -10.101 0.140 -2.333 1.00 0.00 H new ATOM 0 HA THR A 96 -10.752 1.850 -0.035 1.00 0.00 H new ATOM 0 HB THR A 96 -13.049 1.003 -0.144 1.00 0.00 H new ATOM 0 HG1 THR A 96 -13.779 0.157 -2.234 1.00 0.00 H new ATOM 0 HG21 THR A 96 -13.886 2.427 -2.031 1.00 0.00 H new ATOM 0 HG22 THR A 96 -12.622 3.243 -1.081 1.00 0.00 H new ATOM 0 HG23 THR A 96 -12.225 2.527 -2.661 1.00 0.00 H new ATOM 1431 N ALA A 97 -11.134 -0.313 1.431 1.00 0.00 N ATOM 1432 CA ALA A 97 -10.938 -1.473 2.317 1.00 0.00 C ATOM 1433 C ALA A 97 -11.450 -2.805 1.746 1.00 0.00 C ATOM 1434 O ALA A 97 -10.729 -3.801 1.729 1.00 0.00 O ATOM 1435 CB ALA A 97 -11.608 -1.182 3.670 1.00 0.00 C ATOM 0 H ALA A 97 -11.540 0.493 1.906 1.00 0.00 H new ATOM 0 HA ALA A 97 -9.862 -1.605 2.428 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -11.470 -2.034 4.335 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -11.157 -0.296 4.117 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -12.674 -1.009 3.519 1.00 0.00 H new ATOM 1441 N ASP A 98 -12.683 -2.805 1.238 1.00 0.00 N ATOM 1442 CA ASP A 98 -13.297 -3.990 0.619 1.00 0.00 C ATOM 1443 C ASP A 98 -12.666 -4.355 -0.732 1.00 0.00 C ATOM 1444 O ASP A 98 -12.625 -5.533 -1.099 1.00 0.00 O ATOM 1445 CB ASP A 98 -14.805 -3.760 0.431 1.00 0.00 C ATOM 1446 CG ASP A 98 -15.554 -3.712 1.770 1.00 0.00 C ATOM 1447 OD1 ASP A 98 -15.370 -4.632 2.603 1.00 0.00 O ATOM 1448 OD2 ASP A 98 -16.331 -2.754 2.001 1.00 0.00 O ATOM 0 H ASP A 98 -13.289 -1.984 1.242 1.00 0.00 H new ATOM 0 HA ASP A 98 -13.119 -4.825 1.296 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -14.964 -2.825 -0.106 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -15.218 -4.557 -0.187 1.00 0.00 H new ATOM 1453 N GLY A 99 -12.130 -3.371 -1.456 1.00 0.00 N ATOM 1454 CA GLY A 99 -11.384 -3.555 -2.695 1.00 0.00 C ATOM 1455 C GLY A 99 -10.061 -4.280 -2.468 1.00 0.00 C ATOM 1456 O GLY A 99 -9.787 -5.256 -3.167 1.00 0.00 O ATOM 0 H GLY A 99 -12.208 -2.391 -1.183 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -11.990 -4.122 -3.402 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -11.191 -2.583 -3.149 1.00 0.00 H new ATOM 1460 N ILE A 100 -9.284 -3.889 -1.444 1.00 0.00 N ATOM 1461 CA ILE A 100 -8.011 -4.550 -1.109 1.00 0.00 C ATOM 1462 C ILE A 100 -8.245 -6.028 -0.764 1.00 0.00 C ATOM 1463 O ILE A 100 -7.578 -6.913 -1.297 1.00 0.00 O ATOM 1464 CB ILE A 100 -7.258 -3.876 0.065 1.00 0.00 C ATOM 1465 CG1 ILE A 100 -7.303 -2.335 0.143 1.00 0.00 C ATOM 1466 CG2 ILE A 100 -5.798 -4.362 0.047 1.00 0.00 C ATOM 1467 CD1 ILE A 100 -6.929 -1.565 -1.129 1.00 0.00 C ATOM 0 H ILE A 100 -9.519 -3.110 -0.828 1.00 0.00 H new ATOM 0 HA ILE A 100 -7.387 -4.458 -1.998 1.00 0.00 H new ATOM 0 HB ILE A 100 -7.798 -4.184 0.960 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -8.311 -2.039 0.435 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -6.634 -2.016 0.942 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -5.250 -3.898 0.867 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -5.774 -5.446 0.161 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -5.335 -4.087 -0.900 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -7.001 -0.494 -0.940 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -5.908 -1.815 -1.419 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -7.612 -1.838 -1.934 1.00 0.00 H new ATOM 1479 N VAL A 101 -9.239 -6.294 0.095 1.00 0.00 N ATOM 1480 CA VAL A 101 -9.638 -7.656 0.487 1.00 0.00 C ATOM 1481 C VAL A 101 -10.112 -8.459 -0.725 1.00 0.00 C ATOM 1482 O VAL A 101 -9.661 -9.585 -0.923 1.00 0.00 O ATOM 1483 CB VAL A 101 -10.719 -7.610 1.588 1.00 0.00 C ATOM 1484 CG1 VAL A 101 -11.217 -9.006 1.982 1.00 0.00 C ATOM 1485 CG2 VAL A 101 -10.155 -6.957 2.851 1.00 0.00 C ATOM 0 H VAL A 101 -9.794 -5.565 0.542 1.00 0.00 H new ATOM 0 HA VAL A 101 -8.764 -8.164 0.895 1.00 0.00 H new ATOM 0 HB VAL A 101 -11.550 -7.037 1.176 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -11.976 -8.916 2.759 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -11.648 -9.498 1.110 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -10.382 -9.598 2.357 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -10.926 -6.929 3.621 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -9.303 -7.535 3.210 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -9.834 -5.941 2.623 1.00 0.00 H new ATOM 1495 N SER A 102 -10.973 -7.886 -1.568 1.00 0.00 N ATOM 1496 CA SER A 102 -11.454 -8.545 -2.799 1.00 0.00 C ATOM 1497 C SER A 102 -10.310 -8.924 -3.753 1.00 0.00 C ATOM 1498 O SER A 102 -10.277 -10.046 -4.256 1.00 0.00 O ATOM 1499 CB SER A 102 -12.473 -7.663 -3.540 1.00 0.00 C ATOM 1500 OG SER A 102 -13.604 -7.402 -2.727 1.00 0.00 O ATOM 0 H SER A 102 -11.360 -6.954 -1.423 1.00 0.00 H new ATOM 0 HA SER A 102 -11.940 -9.467 -2.478 1.00 0.00 H new ATOM 0 HB2 SER A 102 -12.003 -6.723 -3.829 1.00 0.00 H new ATOM 0 HB3 SER A 102 -12.787 -8.158 -4.459 1.00 0.00 H new ATOM 0 HG SER A 102 -13.375 -6.727 -2.054 1.00 0.00 H new ATOM 1506 N HIS A 103 -9.340 -8.026 -3.958 1.00 0.00 N ATOM 1507 CA HIS A 103 -8.137 -8.274 -4.758 1.00 0.00 C ATOM 1508 C HIS A 103 -7.264 -9.401 -4.174 1.00 0.00 C ATOM 1509 O HIS A 103 -6.699 -10.203 -4.920 1.00 0.00 O ATOM 1510 CB HIS A 103 -7.377 -6.941 -4.876 1.00 0.00 C ATOM 1511 CG HIS A 103 -5.995 -7.050 -5.468 1.00 0.00 C ATOM 1512 ND1 HIS A 103 -5.634 -6.838 -6.779 1.00 0.00 N ATOM 1513 CD2 HIS A 103 -4.848 -7.314 -4.769 1.00 0.00 C ATOM 1514 CE1 HIS A 103 -4.302 -6.990 -6.872 1.00 0.00 C ATOM 1515 NE2 HIS A 103 -3.775 -7.292 -5.672 1.00 0.00 N ATOM 0 H HIS A 103 -9.371 -7.086 -3.563 1.00 0.00 H new ATOM 0 HA HIS A 103 -8.417 -8.629 -5.750 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -7.965 -6.257 -5.487 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -7.298 -6.495 -3.884 1.00 0.00 H new ATOM 0 HD1 HIS A 103 -6.266 -6.606 -7.545 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -4.781 -7.506 -3.708 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -3.733 -6.884 -7.784 1.00 0.00 H new ATOM 1523 N LEU A 104 -7.180 -9.494 -2.841 1.00 0.00 N ATOM 1524 CA LEU A 104 -6.415 -10.517 -2.125 1.00 0.00 C ATOM 1525 C LEU A 104 -7.092 -11.900 -2.180 1.00 0.00 C ATOM 1526 O LEU A 104 -6.444 -12.887 -2.537 1.00 0.00 O ATOM 1527 CB LEU A 104 -6.168 -9.994 -0.696 1.00 0.00 C ATOM 1528 CG LEU A 104 -5.351 -10.881 0.264 1.00 0.00 C ATOM 1529 CD1 LEU A 104 -6.180 -12.011 0.871 1.00 0.00 C ATOM 1530 CD2 LEU A 104 -4.079 -11.445 -0.373 1.00 0.00 C ATOM 0 H LEU A 104 -7.655 -8.842 -2.217 1.00 0.00 H new ATOM 0 HA LEU A 104 -5.453 -10.685 -2.608 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -5.662 -9.032 -0.775 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -7.138 -9.808 -0.235 1.00 0.00 H new ATOM 0 HG LEU A 104 -5.048 -10.212 1.069 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -5.554 -12.603 1.538 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -7.013 -11.589 1.434 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -6.565 -12.648 0.075 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -3.550 -12.060 0.355 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -4.344 -12.053 -1.238 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -3.436 -10.624 -0.690 1.00 0.00 H new ATOM 1542 N LYS A 105 -8.399 -12.006 -1.887 1.00 0.00 N ATOM 1543 CA LYS A 105 -9.121 -13.298 -1.890 1.00 0.00 C ATOM 1544 C LYS A 105 -9.073 -14.009 -3.246 1.00 0.00 C ATOM 1545 O LYS A 105 -8.952 -15.233 -3.298 1.00 0.00 O ATOM 1546 CB LYS A 105 -10.589 -13.108 -1.470 1.00 0.00 C ATOM 1547 CG LYS A 105 -10.713 -12.696 0.006 1.00 0.00 C ATOM 1548 CD LYS A 105 -12.160 -12.737 0.522 1.00 0.00 C ATOM 1549 CE LYS A 105 -13.101 -11.816 -0.270 1.00 0.00 C ATOM 1550 NZ LYS A 105 -14.482 -11.836 0.290 1.00 0.00 N ATOM 0 H LYS A 105 -8.985 -11.207 -1.643 1.00 0.00 H new ATOM 0 HA LYS A 105 -8.605 -13.929 -1.166 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -11.051 -12.348 -2.099 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -11.137 -14.035 -1.636 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -10.097 -13.358 0.615 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -10.317 -11.688 0.131 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -12.531 -13.761 0.469 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -12.175 -12.447 1.573 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -12.715 -10.797 -0.252 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -13.126 -12.130 -1.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -15.092 -11.204 -0.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -14.859 -12.805 0.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -14.461 -11.513 1.278 1.00 0.00 H new ATOM 1564 N LYS A 106 -9.097 -13.230 -4.333 1.00 0.00 N ATOM 1565 CA LYS A 106 -9.019 -13.681 -5.741 1.00 0.00 C ATOM 1566 C LYS A 106 -7.714 -14.405 -6.118 1.00 0.00 C ATOM 1567 O LYS A 106 -7.655 -15.021 -7.184 1.00 0.00 O ATOM 1568 CB LYS A 106 -9.269 -12.487 -6.680 1.00 0.00 C ATOM 1569 CG LYS A 106 -10.762 -12.139 -6.753 1.00 0.00 C ATOM 1570 CD LYS A 106 -10.986 -10.872 -7.590 1.00 0.00 C ATOM 1571 CE LYS A 106 -12.460 -10.433 -7.605 1.00 0.00 C ATOM 1572 NZ LYS A 106 -13.327 -11.376 -8.360 1.00 0.00 N ATOM 0 H LYS A 106 -9.175 -12.216 -4.259 1.00 0.00 H new ATOM 0 HA LYS A 106 -9.799 -14.433 -5.860 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -8.708 -11.621 -6.328 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -8.899 -12.722 -7.678 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -11.313 -12.971 -7.191 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -11.155 -11.990 -5.747 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -10.373 -10.064 -7.192 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -10.653 -11.051 -8.612 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -12.822 -10.353 -6.580 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -12.536 -9.440 -8.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -14.310 -11.036 -8.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -13.000 -11.434 -9.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -13.278 -12.318 -7.923 1.00 0.00 H new ATOM 1586 N GLN A 107 -6.692 -14.378 -5.260 1.00 0.00 N ATOM 1587 CA GLN A 107 -5.396 -15.027 -5.467 1.00 0.00 C ATOM 1588 C GLN A 107 -4.963 -15.908 -4.283 1.00 0.00 C ATOM 1589 O GLN A 107 -4.369 -16.969 -4.495 1.00 0.00 O ATOM 1590 CB GLN A 107 -4.350 -13.943 -5.779 1.00 0.00 C ATOM 1591 CG GLN A 107 -4.241 -12.788 -4.771 1.00 0.00 C ATOM 1592 CD GLN A 107 -3.316 -11.675 -5.245 1.00 0.00 C ATOM 1593 OE1 GLN A 107 -2.112 -11.840 -5.406 1.00 0.00 O ATOM 1594 NE2 GLN A 107 -3.850 -10.496 -5.490 1.00 0.00 N ATOM 0 H GLN A 107 -6.747 -13.885 -4.369 1.00 0.00 H new ATOM 0 HA GLN A 107 -5.487 -15.712 -6.310 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -3.374 -14.422 -5.856 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -4.577 -13.521 -6.758 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -5.234 -12.376 -4.589 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -3.877 -13.176 -3.819 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -4.851 -10.352 -5.358 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -3.262 -9.727 -5.812 1.00 0.00 H new ATOM 1603 N ALA A 108 -5.289 -15.499 -3.054 1.00 0.00 N ATOM 1604 CA ALA A 108 -4.977 -16.256 -1.837 1.00 0.00 C ATOM 1605 C ALA A 108 -5.882 -17.494 -1.618 1.00 0.00 C ATOM 1606 O ALA A 108 -5.464 -18.442 -0.947 1.00 0.00 O ATOM 1607 CB ALA A 108 -5.079 -15.309 -0.636 1.00 0.00 C ATOM 0 H ALA A 108 -5.782 -14.624 -2.873 1.00 0.00 H new ATOM 0 HA ALA A 108 -3.966 -16.648 -1.948 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -4.850 -15.856 0.279 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -4.370 -14.490 -0.757 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -6.090 -14.907 -0.575 1.00 0.00 H new ATOM 1613 N GLY A 109 -7.105 -17.502 -2.164 1.00 0.00 N ATOM 1614 CA GLY A 109 -8.076 -18.585 -1.972 1.00 0.00 C ATOM 1615 C GLY A 109 -9.377 -18.455 -2.784 1.00 0.00 C ATOM 1616 O GLY A 109 -10.455 -18.503 -2.189 1.00 0.00 O ATOM 0 H GLY A 109 -7.451 -16.748 -2.758 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -7.598 -19.529 -2.232 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -8.332 -18.638 -0.914 1.00 0.00 H new ATOM 1620 N PRO A 110 -9.319 -18.306 -4.126 1.00 0.00 N ATOM 1621 CA PRO A 110 -10.503 -18.118 -4.977 1.00 0.00 C ATOM 1622 C PRO A 110 -11.448 -19.338 -5.031 1.00 0.00 C ATOM 1623 O PRO A 110 -12.610 -19.195 -5.414 1.00 0.00 O ATOM 1624 CB PRO A 110 -9.950 -17.781 -6.365 1.00 0.00 C ATOM 1625 CG PRO A 110 -8.588 -18.465 -6.388 1.00 0.00 C ATOM 1626 CD PRO A 110 -8.111 -18.319 -4.946 1.00 0.00 C ATOM 0 HA PRO A 110 -11.131 -17.327 -4.567 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -10.599 -18.155 -7.156 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -9.860 -16.704 -6.509 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -8.666 -19.511 -6.684 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -7.906 -17.985 -7.090 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -7.457 -19.144 -4.665 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -7.539 -17.400 -4.814 1.00 0.00 H new ATOM 1634 N ALA A 111 -10.974 -20.526 -4.630 1.00 0.00 N ATOM 1635 CA ALA A 111 -11.726 -21.783 -4.610 1.00 0.00 C ATOM 1636 C ALA A 111 -12.050 -22.280 -3.178 1.00 0.00 C ATOM 1637 O ALA A 111 -12.636 -23.355 -3.009 1.00 0.00 O ATOM 1638 CB ALA A 111 -10.917 -22.818 -5.413 1.00 0.00 C ATOM 0 H ALA A 111 -10.016 -20.639 -4.298 1.00 0.00 H new ATOM 0 HA ALA A 111 -12.703 -21.624 -5.067 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -11.448 -23.770 -5.420 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -10.790 -22.466 -6.437 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -9.938 -22.952 -4.952 1.00 0.00 H new ATOM 1644 N SER A 112 -11.678 -21.510 -2.143 1.00 0.00 N ATOM 1645 CA SER A 112 -11.894 -21.825 -0.718 1.00 0.00 C ATOM 1646 C SER A 112 -13.302 -21.470 -0.195 1.00 0.00 C ATOM 1647 O SER A 112 -13.573 -21.617 1.002 1.00 0.00 O ATOM 1648 CB SER A 112 -10.826 -21.114 0.134 1.00 0.00 C ATOM 1649 OG SER A 112 -9.520 -21.498 -0.274 1.00 0.00 O ATOM 0 H SER A 112 -11.201 -20.618 -2.278 1.00 0.00 H new ATOM 0 HA SER A 112 -11.807 -22.908 -0.630 1.00 0.00 H new ATOM 0 HB2 SER A 112 -10.939 -20.034 0.040 1.00 0.00 H new ATOM 0 HB3 SER A 112 -10.970 -21.359 1.186 1.00 0.00 H new ATOM 0 HG SER A 112 -8.856 -21.035 0.278 1.00 0.00 H new ATOM 1655 N VAL A 113 -14.201 -21.003 -1.076 1.00 0.00 N ATOM 1656 CA VAL A 113 -15.573 -20.522 -0.788 1.00 0.00 C ATOM 1657 C VAL A 113 -16.627 -21.101 -1.737 1.00 0.00 C ATOM 1658 O VAL A 113 -16.298 -21.476 -2.888 1.00 0.00 O ATOM 1659 CB VAL A 113 -15.648 -18.983 -0.782 1.00 0.00 C ATOM 1660 CG1 VAL A 113 -14.888 -18.396 0.408 1.00 0.00 C ATOM 1661 CG2 VAL A 113 -15.114 -18.336 -2.067 1.00 0.00 C ATOM 1662 OXT VAL A 113 -17.799 -21.205 -1.312 1.00 0.00 O ATOM 0 H VAL A 113 -13.982 -20.945 -2.070 1.00 0.00 H new ATOM 0 HA VAL A 113 -15.806 -20.888 0.212 1.00 0.00 H new ATOM 0 HB VAL A 113 -16.711 -18.753 -0.707 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -14.959 -17.309 0.385 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -15.322 -18.768 1.336 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -13.840 -18.692 0.353 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -15.198 -17.252 -1.991 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -14.068 -18.610 -2.205 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -15.696 -18.686 -2.920 1.00 0.00 H new TER 1672 VAL A 113