USER MOD reduce.3.24.130724 H: found=0, std=0, add=507, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 506 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 23 MET CE :methyl 148:sc= -0.0373 (180deg=-1.16) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 CYS SG : rot -156:sc= -11.7! USER MOD Single : A 35 SER OG : rot -103:sc= 0.817 USER MOD Single : A 41 SER OG : rot 16:sc= 0.502! USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=-0.0072) USER MOD Single : A 49 SER OG : rot 58:sc= -0.437 USER MOD Single : A 54 THR OG1 : rot 165:sc= -2.89 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 15:sc= -0.461 USER MOD Single : A 68 LYS NZ :NH3+ 142:sc= -0.279 (180deg=-0.831) USER MOD Single : A 71 HIS : no HD1:sc= -0.802 K(o=-0.8,f=-0.0034) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -1.38! X(o=-1.4!,f=-1.5) USER MOD Single : A 88 GLN : amide:sc= -0.656 X(o=-0.66,f=-0.5) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 23 -4.892 -0.636 0.776 1.00 0.00 N ATOM 2 CA MET A 23 -4.385 0.710 0.982 1.00 0.00 C ATOM 3 C MET A 23 -3.201 0.998 0.058 1.00 0.00 C ATOM 4 O MET A 23 -2.132 0.409 0.211 1.00 0.00 O ATOM 5 CB MET A 23 -3.947 0.873 2.439 1.00 0.00 C ATOM 6 CG MET A 23 -3.332 -0.422 2.975 1.00 0.00 C ATOM 7 SD MET A 23 -4.471 -1.223 4.092 1.00 0.00 S ATOM 8 CE MET A 23 -4.232 -0.220 5.549 1.00 0.00 C ATOM 0 HA MET A 23 -5.182 1.417 0.751 1.00 0.00 H new ATOM 0 HB2 MET A 23 -3.222 1.683 2.516 1.00 0.00 H new ATOM 0 HB3 MET A 23 -4.804 1.153 3.051 1.00 0.00 H new ATOM 0 HG2 MET A 23 -3.091 -1.090 2.148 1.00 0.00 H new ATOM 0 HG3 MET A 23 -2.397 -0.204 3.491 1.00 0.00 H new ATOM 0 HE1 MET A 23 -5.165 -0.164 6.110 1.00 0.00 H new ATOM 0 HE2 MET A 23 -3.459 -0.666 6.175 1.00 0.00 H new ATOM 0 HE3 MET A 23 -3.926 0.784 5.254 1.00 0.00 H new ATOM 18 N SER A 24 -3.431 1.902 -0.882 1.00 0.00 N ATOM 19 CA SER A 24 -2.396 2.275 -1.832 1.00 0.00 C ATOM 20 C SER A 24 -2.013 3.743 -1.638 1.00 0.00 C ATOM 21 O SER A 24 -2.716 4.639 -2.103 1.00 0.00 O ATOM 22 CB SER A 24 -2.856 2.032 -3.271 1.00 0.00 C ATOM 23 OG SER A 24 -2.549 0.713 -3.714 1.00 0.00 O ATOM 0 H SER A 24 -4.319 2.388 -1.007 1.00 0.00 H new ATOM 0 HA SER A 24 -1.522 1.651 -1.648 1.00 0.00 H new ATOM 0 HB2 SER A 24 -3.931 2.197 -3.341 1.00 0.00 H new ATOM 0 HB3 SER A 24 -2.379 2.756 -3.931 1.00 0.00 H new ATOM 0 HG SER A 24 -2.860 0.597 -4.636 1.00 0.00 H new ATOM 29 N ILE A 25 -0.898 3.945 -0.950 1.00 0.00 N ATOM 30 CA ILE A 25 -0.413 5.289 -0.689 1.00 0.00 C ATOM 31 C ILE A 25 -0.312 6.056 -2.009 1.00 0.00 C ATOM 32 O ILE A 25 0.321 5.590 -2.955 1.00 0.00 O ATOM 33 CB ILE A 25 0.900 5.242 0.096 1.00 0.00 C ATOM 34 CG1 ILE A 25 1.906 4.303 -0.573 1.00 0.00 C ATOM 35 CG2 ILE A 25 0.651 4.866 1.558 1.00 0.00 C ATOM 36 CD1 ILE A 25 3.041 5.093 -1.228 1.00 0.00 C ATOM 0 H ILE A 25 -0.317 3.200 -0.566 1.00 0.00 H new ATOM 0 HA ILE A 25 -1.117 5.831 -0.057 1.00 0.00 H new ATOM 0 HB ILE A 25 1.338 6.240 0.089 1.00 0.00 H new ATOM 0 HG12 ILE A 25 2.316 3.616 0.167 1.00 0.00 H new ATOM 0 HG13 ILE A 25 1.399 3.697 -1.324 1.00 0.00 H new ATOM 0 HG21 ILE A 25 1.600 4.840 2.094 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -0.005 5.606 2.017 1.00 0.00 H new ATOM 0 HG23 ILE A 25 0.180 3.884 1.606 1.00 0.00 H new ATOM 0 HD11 ILE A 25 3.742 4.402 -1.696 1.00 0.00 H new ATOM 0 HD12 ILE A 25 2.630 5.761 -1.985 1.00 0.00 H new ATOM 0 HD13 ILE A 25 3.561 5.679 -0.470 1.00 0.00 H new ATOM 48 N GLU A 26 -0.945 7.219 -2.030 1.00 0.00 N ATOM 49 CA GLU A 26 -0.935 8.055 -3.219 1.00 0.00 C ATOM 50 C GLU A 26 0.188 9.090 -3.130 1.00 0.00 C ATOM 51 O GLU A 26 0.745 9.317 -2.057 1.00 0.00 O ATOM 52 CB GLU A 26 -2.291 8.734 -3.423 1.00 0.00 C ATOM 53 CG GLU A 26 -2.628 8.848 -4.912 1.00 0.00 C ATOM 54 CD GLU A 26 -2.556 7.481 -5.596 1.00 0.00 C ATOM 55 OE1 GLU A 26 -1.693 7.338 -6.488 1.00 0.00 O ATOM 56 OE2 GLU A 26 -3.367 6.611 -5.212 1.00 0.00 O ATOM 0 H GLU A 26 -1.468 7.603 -1.243 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.750 7.420 -4.085 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.068 8.164 -2.913 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.276 9.726 -2.973 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -3.627 9.266 -5.031 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.934 9.537 -5.394 1.00 0.00 H new ATOM 63 N ILE A 27 0.488 9.690 -4.273 1.00 0.00 N ATOM 64 CA ILE A 27 1.535 10.696 -4.338 1.00 0.00 C ATOM 65 C ILE A 27 1.080 11.842 -5.243 1.00 0.00 C ATOM 66 O ILE A 27 0.663 11.613 -6.378 1.00 0.00 O ATOM 67 CB ILE A 27 2.860 10.062 -4.766 1.00 0.00 C ATOM 68 CG1 ILE A 27 3.994 10.471 -3.823 1.00 0.00 C ATOM 69 CG2 ILE A 27 3.181 10.395 -6.225 1.00 0.00 C ATOM 70 CD1 ILE A 27 4.309 11.962 -3.958 1.00 0.00 C ATOM 0 H ILE A 27 0.024 9.499 -5.161 1.00 0.00 H new ATOM 0 HA ILE A 27 1.716 11.122 -3.351 1.00 0.00 H new ATOM 0 HB ILE A 27 2.758 8.979 -4.697 1.00 0.00 H new ATOM 0 HG12 ILE A 27 3.714 10.247 -2.794 1.00 0.00 H new ATOM 0 HG13 ILE A 27 4.886 9.886 -4.046 1.00 0.00 H new ATOM 0 HG21 ILE A 27 4.128 9.932 -6.504 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.388 10.014 -6.868 1.00 0.00 H new ATOM 0 HG23 ILE A 27 3.257 11.476 -6.343 1.00 0.00 H new ATOM 0 HD11 ILE A 27 5.118 12.226 -3.277 1.00 0.00 H new ATOM 0 HD12 ILE A 27 4.612 12.179 -4.982 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.422 12.545 -3.711 1.00 0.00 H new ATOM 82 N ASP A 28 1.176 13.050 -4.708 1.00 0.00 N ATOM 83 CA ASP A 28 0.779 14.233 -5.454 1.00 0.00 C ATOM 84 C ASP A 28 2.000 15.132 -5.663 1.00 0.00 C ATOM 85 O ASP A 28 2.268 16.018 -4.853 1.00 0.00 O ATOM 86 CB ASP A 28 -0.275 15.037 -4.692 1.00 0.00 C ATOM 87 CG ASP A 28 -1.365 15.664 -5.563 1.00 0.00 C ATOM 88 OD1 ASP A 28 -1.726 16.825 -5.272 1.00 0.00 O ATOM 89 OD2 ASP A 28 -1.812 14.969 -6.501 1.00 0.00 O ATOM 0 H ASP A 28 1.523 13.236 -3.767 1.00 0.00 H new ATOM 0 HA ASP A 28 0.363 13.907 -6.407 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -0.748 14.384 -3.959 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.226 15.830 -4.137 1.00 0.00 H new ATOM 94 N SER A 29 2.706 14.872 -6.753 1.00 0.00 N ATOM 95 CA SER A 29 3.892 15.647 -7.079 1.00 0.00 C ATOM 96 C SER A 29 3.488 17.033 -7.585 1.00 0.00 C ATOM 97 O SER A 29 4.296 17.961 -7.575 1.00 0.00 O ATOM 98 CB SER A 29 4.750 14.929 -8.123 1.00 0.00 C ATOM 99 OG SER A 29 6.131 14.935 -7.774 1.00 0.00 O ATOM 0 H SER A 29 2.480 14.136 -7.422 1.00 0.00 H new ATOM 0 HA SER A 29 4.488 15.758 -6.173 1.00 0.00 H new ATOM 0 HB2 SER A 29 4.407 13.900 -8.228 1.00 0.00 H new ATOM 0 HB3 SER A 29 4.619 15.409 -9.093 1.00 0.00 H new ATOM 0 HG SER A 29 6.645 14.466 -8.464 1.00 0.00 H new ATOM 105 N GLU A 30 2.239 17.129 -8.017 1.00 0.00 N ATOM 106 CA GLU A 30 1.719 18.387 -8.526 1.00 0.00 C ATOM 107 C GLU A 30 1.793 19.468 -7.447 1.00 0.00 C ATOM 108 O GLU A 30 2.313 20.556 -7.688 1.00 0.00 O ATOM 109 CB GLU A 30 0.287 18.220 -9.039 1.00 0.00 C ATOM 110 CG GLU A 30 0.050 19.069 -10.289 1.00 0.00 C ATOM 111 CD GLU A 30 -1.097 18.501 -11.128 1.00 0.00 C ATOM 112 OE1 GLU A 30 -0.951 17.344 -11.579 1.00 0.00 O ATOM 113 OE2 GLU A 30 -2.093 19.236 -11.299 1.00 0.00 O ATOM 0 H GLU A 30 1.572 16.357 -8.025 1.00 0.00 H new ATOM 0 HA GLU A 30 2.337 18.700 -9.367 1.00 0.00 H new ATOM 0 HB2 GLU A 30 0.098 17.171 -9.267 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.418 18.509 -8.260 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -0.180 20.094 -9.999 1.00 0.00 H new ATOM 0 HG3 GLU A 30 0.960 19.104 -10.887 1.00 0.00 H new ATOM 120 N GLN A 31 1.264 19.131 -6.280 1.00 0.00 N ATOM 121 CA GLN A 31 1.264 20.060 -5.162 1.00 0.00 C ATOM 122 C GLN A 31 2.402 19.729 -4.196 1.00 0.00 C ATOM 123 O GLN A 31 2.948 20.619 -3.545 1.00 0.00 O ATOM 124 CB GLN A 31 -0.087 20.051 -4.443 1.00 0.00 C ATOM 125 CG GLN A 31 -1.010 21.139 -4.996 1.00 0.00 C ATOM 126 CD GLN A 31 -1.483 22.075 -3.882 1.00 0.00 C ATOM 127 OE1 GLN A 31 -0.722 22.842 -3.316 1.00 0.00 O ATOM 128 NE2 GLN A 31 -2.779 21.969 -3.600 1.00 0.00 N ATOM 0 H GLN A 31 0.832 18.228 -6.084 1.00 0.00 H new ATOM 0 HA GLN A 31 1.426 21.066 -5.550 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -0.559 19.075 -4.560 1.00 0.00 H new ATOM 0 HB3 GLN A 31 0.065 20.206 -3.375 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -0.485 21.713 -5.760 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -1.872 20.679 -5.480 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -3.360 21.306 -4.113 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -3.192 22.551 -2.871 1.00 0.00 H new ATOM 137 N GLY A 32 2.727 18.446 -4.132 1.00 0.00 N ATOM 138 CA GLY A 32 3.791 17.986 -3.256 1.00 0.00 C ATOM 139 C GLY A 32 3.220 17.356 -1.984 1.00 0.00 C ATOM 140 O GLY A 32 3.880 17.336 -0.947 1.00 0.00 O ATOM 0 H GLY A 32 2.272 17.711 -4.673 1.00 0.00 H new ATOM 0 HA2 GLY A 32 4.410 17.258 -3.781 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.438 18.823 -2.993 1.00 0.00 H new ATOM 144 N VAL A 33 2.000 16.855 -2.107 1.00 0.00 N ATOM 145 CA VAL A 33 1.332 16.226 -0.980 1.00 0.00 C ATOM 146 C VAL A 33 1.042 14.762 -1.318 1.00 0.00 C ATOM 147 O VAL A 33 0.928 14.402 -2.488 1.00 0.00 O ATOM 148 CB VAL A 33 0.075 17.015 -0.609 1.00 0.00 C ATOM 149 CG1 VAL A 33 -0.664 16.353 0.555 1.00 0.00 C ATOM 150 CG2 VAL A 33 0.417 18.471 -0.285 1.00 0.00 C ATOM 0 H VAL A 33 1.456 16.872 -2.970 1.00 0.00 H new ATOM 0 HA VAL A 33 1.976 16.235 -0.100 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.590 17.012 -1.473 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.554 16.934 0.799 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.957 15.342 0.272 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.009 16.311 1.425 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.494 19.010 -0.025 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.110 18.504 0.555 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.879 18.938 -1.155 1.00 0.00 H new ATOM 160 N CYS A 34 0.930 13.958 -0.271 1.00 0.00 N ATOM 161 CA CYS A 34 0.655 12.541 -0.442 1.00 0.00 C ATOM 162 C CYS A 34 -0.559 12.181 0.417 1.00 0.00 C ATOM 163 O CYS A 34 -0.730 12.715 1.512 1.00 0.00 O ATOM 164 CB CYS A 34 1.873 11.683 -0.096 1.00 0.00 C ATOM 165 SG CYS A 34 3.331 12.256 -1.042 1.00 0.00 S ATOM 0 H CYS A 34 1.025 14.260 0.699 1.00 0.00 H new ATOM 0 HA CYS A 34 0.433 12.334 -1.489 1.00 0.00 H new ATOM 0 HB2 CYS A 34 2.077 11.741 0.973 1.00 0.00 H new ATOM 0 HB3 CYS A 34 1.668 10.637 -0.325 1.00 0.00 H new ATOM 0 HG CYS A 34 4.186 11.283 -1.154 1.00 0.00 H new ATOM 171 N SER A 35 -1.371 11.278 -0.113 1.00 0.00 N ATOM 172 CA SER A 35 -2.564 10.840 0.591 1.00 0.00 C ATOM 173 C SER A 35 -2.841 9.366 0.285 1.00 0.00 C ATOM 174 O SER A 35 -2.878 8.967 -0.878 1.00 0.00 O ATOM 175 CB SER A 35 -3.773 11.697 0.212 1.00 0.00 C ATOM 176 OG SER A 35 -3.597 13.062 0.582 1.00 0.00 O ATOM 0 H SER A 35 -1.226 10.838 -1.022 1.00 0.00 H new ATOM 0 HA SER A 35 -2.392 10.956 1.661 1.00 0.00 H new ATOM 0 HB2 SER A 35 -3.941 11.632 -0.863 1.00 0.00 H new ATOM 0 HB3 SER A 35 -4.665 11.302 0.699 1.00 0.00 H new ATOM 0 HG SER A 35 -4.112 13.250 1.394 1.00 0.00 H new ATOM 182 N VAL A 36 -3.030 8.599 1.348 1.00 0.00 N ATOM 183 CA VAL A 36 -3.303 7.179 1.208 1.00 0.00 C ATOM 184 C VAL A 36 -4.813 6.944 1.280 1.00 0.00 C ATOM 185 O VAL A 36 -5.528 7.686 1.952 1.00 0.00 O ATOM 186 CB VAL A 36 -2.524 6.390 2.262 1.00 0.00 C ATOM 187 CG1 VAL A 36 -2.964 6.779 3.675 1.00 0.00 C ATOM 188 CG2 VAL A 36 -2.671 4.883 2.038 1.00 0.00 C ATOM 0 H VAL A 36 -2.999 8.934 2.311 1.00 0.00 H new ATOM 0 HA VAL A 36 -2.965 6.819 0.236 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.469 6.644 2.158 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -2.395 6.203 4.405 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.785 7.843 3.832 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -4.027 6.568 3.796 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.108 4.345 2.801 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -3.723 4.607 2.102 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -2.287 4.623 1.052 1.00 0.00 H new ATOM 198 N GLU A 37 -5.253 5.911 0.578 1.00 0.00 N ATOM 199 CA GLU A 37 -6.666 5.569 0.555 1.00 0.00 C ATOM 200 C GLU A 37 -6.911 4.272 1.328 1.00 0.00 C ATOM 201 O GLU A 37 -6.168 3.303 1.174 1.00 0.00 O ATOM 202 CB GLU A 37 -7.178 5.457 -0.882 1.00 0.00 C ATOM 203 CG GLU A 37 -6.691 4.164 -1.539 1.00 0.00 C ATOM 204 CD GLU A 37 -6.403 4.379 -3.026 1.00 0.00 C ATOM 205 OE1 GLU A 37 -7.320 4.097 -3.828 1.00 0.00 O ATOM 206 OE2 GLU A 37 -5.274 4.821 -3.328 1.00 0.00 O ATOM 0 H GLU A 37 -4.657 5.299 0.021 1.00 0.00 H new ATOM 0 HA GLU A 37 -7.222 6.369 1.043 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -8.268 5.483 -0.887 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -6.836 6.315 -1.461 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -5.789 3.814 -1.037 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -7.444 3.385 -1.420 1.00 0.00 H new ATOM 213 N ILE A 38 -7.956 4.294 2.141 1.00 0.00 N ATOM 214 CA ILE A 38 -8.309 3.131 2.938 1.00 0.00 C ATOM 215 C ILE A 38 -9.824 3.104 3.150 1.00 0.00 C ATOM 216 O ILE A 38 -10.326 3.643 4.136 1.00 0.00 O ATOM 217 CB ILE A 38 -7.505 3.110 4.240 1.00 0.00 C ATOM 218 CG1 ILE A 38 -6.132 3.756 4.047 1.00 0.00 C ATOM 219 CG2 ILE A 38 -7.397 1.688 4.794 1.00 0.00 C ATOM 220 CD1 ILE A 38 -5.365 3.820 5.369 1.00 0.00 C ATOM 0 H ILE A 38 -8.570 5.099 2.265 1.00 0.00 H new ATOM 0 HA ILE A 38 -8.044 2.214 2.412 1.00 0.00 H new ATOM 0 HB ILE A 38 -8.039 3.705 4.981 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -5.558 3.186 3.317 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -6.253 4.761 3.644 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -6.821 1.701 5.719 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -8.395 1.298 4.993 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -6.898 1.050 4.065 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -4.392 4.284 5.203 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -5.931 4.411 6.090 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -5.225 2.811 5.757 1.00 0.00 H new ATOM 232 N GLU A 39 -10.510 2.472 2.210 1.00 0.00 N ATOM 233 CA GLU A 39 -11.958 2.367 2.282 1.00 0.00 C ATOM 234 C GLU A 39 -12.568 3.715 2.673 1.00 0.00 C ATOM 235 O GLU A 39 -13.643 3.764 3.268 1.00 0.00 O ATOM 236 CB GLU A 39 -12.381 1.269 3.259 1.00 0.00 C ATOM 237 CG GLU A 39 -11.820 1.535 4.658 1.00 0.00 C ATOM 238 CD GLU A 39 -12.400 0.552 5.677 1.00 0.00 C ATOM 239 OE1 GLU A 39 -12.376 -0.660 5.374 1.00 0.00 O ATOM 240 OE2 GLU A 39 -12.855 1.036 6.736 1.00 0.00 O ATOM 0 H GLU A 39 -10.090 2.027 1.394 1.00 0.00 H new ATOM 0 HA GLU A 39 -12.333 2.093 1.296 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -13.469 1.216 3.303 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -12.029 0.302 2.900 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -10.734 1.448 4.641 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -12.053 2.556 4.959 1.00 0.00 H new ATOM 247 N GLY A 40 -11.855 4.775 2.322 1.00 0.00 N ATOM 248 CA GLY A 40 -12.313 6.120 2.629 1.00 0.00 C ATOM 249 C GLY A 40 -11.132 7.078 2.792 1.00 0.00 C ATOM 250 O GLY A 40 -10.981 7.712 3.835 1.00 0.00 O ATOM 0 H GLY A 40 -10.964 4.730 1.828 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -12.967 6.476 1.833 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -12.904 6.107 3.545 1.00 0.00 H new ATOM 254 N SER A 41 -10.324 7.154 1.744 1.00 0.00 N ATOM 255 CA SER A 41 -9.161 8.024 1.758 1.00 0.00 C ATOM 256 C SER A 41 -9.504 9.345 2.448 1.00 0.00 C ATOM 257 O SER A 41 -10.439 10.035 2.045 1.00 0.00 O ATOM 258 CB SER A 41 -8.650 8.283 0.339 1.00 0.00 C ATOM 259 OG SER A 41 -9.468 9.216 -0.361 1.00 0.00 O ATOM 0 H SER A 41 -10.452 6.627 0.880 1.00 0.00 H new ATOM 0 HA SER A 41 -8.368 7.526 2.315 1.00 0.00 H new ATOM 0 HB2 SER A 41 -7.628 8.660 0.385 1.00 0.00 H new ATOM 0 HB3 SER A 41 -8.619 7.343 -0.212 1.00 0.00 H new ATOM 0 HG SER A 41 -10.039 9.693 0.277 1.00 0.00 H new ATOM 265 N ARG A 42 -8.728 9.659 3.475 1.00 0.00 N ATOM 266 CA ARG A 42 -8.938 10.886 4.224 1.00 0.00 C ATOM 267 C ARG A 42 -7.654 11.288 4.954 1.00 0.00 C ATOM 268 O ARG A 42 -7.682 11.585 6.147 1.00 0.00 O ATOM 269 CB ARG A 42 -10.066 10.721 5.245 1.00 0.00 C ATOM 270 CG ARG A 42 -11.420 11.072 4.625 1.00 0.00 C ATOM 271 CD ARG A 42 -12.490 11.243 5.706 1.00 0.00 C ATOM 272 NE ARG A 42 -13.739 10.566 5.293 1.00 0.00 N ATOM 273 CZ ARG A 42 -14.896 10.649 5.965 1.00 0.00 C ATOM 274 NH1 ARG A 42 -14.969 11.380 7.085 1.00 0.00 N ATOM 275 NH2 ARG A 42 -15.979 10.000 5.515 1.00 0.00 N ATOM 0 H ARG A 42 -7.953 9.085 3.806 1.00 0.00 H new ATOM 0 HA ARG A 42 -9.216 11.665 3.514 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -10.084 9.694 5.610 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -9.879 11.362 6.106 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -11.332 11.992 4.047 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -11.721 10.287 3.931 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -12.136 10.827 6.649 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -12.680 12.303 5.877 1.00 0.00 H new ATOM 0 HE ARG A 42 -13.718 10.001 4.444 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -14.144 11.874 7.427 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -15.849 11.443 7.596 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -15.922 9.444 4.662 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -16.860 10.062 6.026 1.00 0.00 H new ATOM 289 N HIS A 43 -6.561 11.285 4.206 1.00 0.00 N ATOM 290 CA HIS A 43 -5.270 11.646 4.767 1.00 0.00 C ATOM 291 C HIS A 43 -4.660 12.791 3.955 1.00 0.00 C ATOM 292 O HIS A 43 -5.215 13.199 2.936 1.00 0.00 O ATOM 293 CB HIS A 43 -4.353 10.425 4.851 1.00 0.00 C ATOM 294 CG HIS A 43 -3.829 10.144 6.239 1.00 0.00 C ATOM 295 ND1 HIS A 43 -2.505 10.335 6.594 1.00 0.00 N ATOM 296 CD2 HIS A 43 -4.465 9.687 7.356 1.00 0.00 C ATOM 297 CE1 HIS A 43 -2.362 10.004 7.868 1.00 0.00 C ATOM 298 NE2 HIS A 43 -3.577 9.601 8.339 1.00 0.00 N ATOM 0 H HIS A 43 -6.542 11.038 3.216 1.00 0.00 H new ATOM 0 HA HIS A 43 -5.400 12.000 5.789 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -4.897 9.550 4.495 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -3.508 10.571 4.178 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -5.513 9.437 7.428 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -1.444 10.046 8.435 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -3.771 9.286 9.289 1.00 0.00 H new ATOM 306 N ARG A 44 -3.525 13.276 4.436 1.00 0.00 N ATOM 307 CA ARG A 44 -2.833 14.365 3.768 1.00 0.00 C ATOM 308 C ARG A 44 -1.541 14.709 4.512 1.00 0.00 C ATOM 309 O ARG A 44 -1.559 14.944 5.719 1.00 0.00 O ATOM 310 CB ARG A 44 -3.716 15.612 3.689 1.00 0.00 C ATOM 311 CG ARG A 44 -3.410 16.421 2.427 1.00 0.00 C ATOM 312 CD ARG A 44 -4.636 17.219 1.977 1.00 0.00 C ATOM 313 NE ARG A 44 -4.978 16.877 0.579 1.00 0.00 N ATOM 314 CZ ARG A 44 -5.861 17.555 -0.167 1.00 0.00 C ATOM 315 NH1 ARG A 44 -6.496 18.617 0.348 1.00 0.00 N ATOM 316 NH2 ARG A 44 -6.108 17.173 -1.427 1.00 0.00 N ATOM 0 H ARG A 44 -3.067 12.935 5.281 1.00 0.00 H new ATOM 0 HA ARG A 44 -2.597 14.036 2.756 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -4.766 15.319 3.692 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -3.555 16.232 4.571 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -2.580 17.100 2.619 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -3.095 15.750 1.628 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -5.481 17.002 2.630 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -4.435 18.287 2.060 1.00 0.00 H new ATOM 0 HE ARG A 44 -4.512 16.074 0.156 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -6.307 18.909 1.307 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -7.168 19.134 -0.219 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -5.624 16.365 -1.819 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -6.780 17.690 -1.994 1.00 0.00 H new ATOM 330 N ALA A 45 -0.450 14.728 3.760 1.00 0.00 N ATOM 331 CA ALA A 45 0.848 15.040 4.333 1.00 0.00 C ATOM 332 C ALA A 45 1.827 15.384 3.209 1.00 0.00 C ATOM 333 O ALA A 45 1.645 14.959 2.070 1.00 0.00 O ATOM 334 CB ALA A 45 1.327 13.861 5.183 1.00 0.00 C ATOM 0 H ALA A 45 -0.439 14.532 2.759 1.00 0.00 H new ATOM 0 HA ALA A 45 0.780 15.908 4.988 1.00 0.00 H new ATOM 0 HB1 ALA A 45 2.301 14.095 5.613 1.00 0.00 H new ATOM 0 HB2 ALA A 45 0.611 13.676 5.984 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.410 12.972 4.558 1.00 0.00 H new ATOM 340 N PRO A 46 2.872 16.172 3.579 1.00 0.00 N ATOM 341 CA PRO A 46 3.881 16.579 2.615 1.00 0.00 C ATOM 342 C PRO A 46 4.825 15.421 2.288 1.00 0.00 C ATOM 343 O PRO A 46 5.139 14.607 3.155 1.00 0.00 O ATOM 344 CB PRO A 46 4.589 17.758 3.261 1.00 0.00 C ATOM 345 CG PRO A 46 4.269 17.676 4.745 1.00 0.00 C ATOM 346 CD PRO A 46 3.121 16.695 4.920 1.00 0.00 C ATOM 0 HA PRO A 46 3.454 16.866 1.654 1.00 0.00 H new ATOM 0 HB2 PRO A 46 5.664 17.709 3.090 1.00 0.00 H new ATOM 0 HB3 PRO A 46 4.242 18.701 2.838 1.00 0.00 H new ATOM 0 HG2 PRO A 46 5.143 17.345 5.306 1.00 0.00 H new ATOM 0 HG3 PRO A 46 3.995 18.658 5.131 1.00 0.00 H new ATOM 0 HD2 PRO A 46 3.385 15.897 5.614 1.00 0.00 H new ATOM 0 HD3 PRO A 46 2.237 17.188 5.323 1.00 0.00 H new ATOM 354 N VAL A 47 5.252 15.383 1.034 1.00 0.00 N ATOM 355 CA VAL A 47 6.154 14.338 0.581 1.00 0.00 C ATOM 356 C VAL A 47 7.497 14.483 1.300 1.00 0.00 C ATOM 357 O VAL A 47 8.227 13.507 1.461 1.00 0.00 O ATOM 358 CB VAL A 47 6.284 14.383 -0.943 1.00 0.00 C ATOM 359 CG1 VAL A 47 6.810 13.053 -1.487 1.00 0.00 C ATOM 360 CG2 VAL A 47 4.950 14.753 -1.596 1.00 0.00 C ATOM 0 H VAL A 47 4.990 16.060 0.317 1.00 0.00 H new ATOM 0 HA VAL A 47 5.756 13.355 0.831 1.00 0.00 H new ATOM 0 HB VAL A 47 7.007 15.158 -1.195 1.00 0.00 H new ATOM 0 HG11 VAL A 47 6.893 13.111 -2.572 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.791 12.847 -1.058 1.00 0.00 H new ATOM 0 HG13 VAL A 47 6.121 12.252 -1.218 1.00 0.00 H new ATOM 0 HG21 VAL A 47 5.070 14.778 -2.679 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.197 14.011 -1.331 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.632 15.734 -1.243 1.00 0.00 H new ATOM 370 N ASP A 48 7.782 15.710 1.713 1.00 0.00 N ATOM 371 CA ASP A 48 9.024 15.995 2.410 1.00 0.00 C ATOM 372 C ASP A 48 8.901 15.544 3.867 1.00 0.00 C ATOM 373 O ASP A 48 9.836 15.700 4.650 1.00 0.00 O ATOM 374 CB ASP A 48 9.328 17.494 2.403 1.00 0.00 C ATOM 375 CG ASP A 48 8.287 18.368 3.106 1.00 0.00 C ATOM 376 OD1 ASP A 48 7.777 17.913 4.152 1.00 0.00 O ATOM 377 OD2 ASP A 48 8.026 19.472 2.581 1.00 0.00 O ATOM 0 H ASP A 48 7.174 16.518 1.578 1.00 0.00 H new ATOM 0 HA ASP A 48 9.827 15.462 1.900 1.00 0.00 H new ATOM 0 HB2 ASP A 48 10.296 17.655 2.877 1.00 0.00 H new ATOM 0 HB3 ASP A 48 9.421 17.826 1.369 1.00 0.00 H new ATOM 382 N SER A 49 7.738 14.995 4.187 1.00 0.00 N ATOM 383 CA SER A 49 7.481 14.521 5.536 1.00 0.00 C ATOM 384 C SER A 49 7.168 13.023 5.514 1.00 0.00 C ATOM 385 O SER A 49 6.345 12.545 6.293 1.00 0.00 O ATOM 386 CB SER A 49 6.328 15.294 6.181 1.00 0.00 C ATOM 387 OG SER A 49 6.733 16.587 6.620 1.00 0.00 O ATOM 0 H SER A 49 6.964 14.868 3.535 1.00 0.00 H new ATOM 0 HA SER A 49 8.376 14.690 6.134 1.00 0.00 H new ATOM 0 HB2 SER A 49 5.512 15.393 5.465 1.00 0.00 H new ATOM 0 HB3 SER A 49 5.941 14.728 7.028 1.00 0.00 H new ATOM 0 HG SER A 49 7.094 17.092 5.861 1.00 0.00 H new ATOM 393 N LEU A 50 7.842 12.324 4.613 1.00 0.00 N ATOM 394 CA LEU A 50 7.647 10.890 4.479 1.00 0.00 C ATOM 395 C LEU A 50 8.865 10.159 5.047 1.00 0.00 C ATOM 396 O LEU A 50 9.891 10.777 5.324 1.00 0.00 O ATOM 397 CB LEU A 50 7.333 10.526 3.026 1.00 0.00 C ATOM 398 CG LEU A 50 5.962 10.962 2.506 1.00 0.00 C ATOM 399 CD1 LEU A 50 5.791 10.590 1.032 1.00 0.00 C ATOM 400 CD2 LEU A 50 4.839 10.391 3.375 1.00 0.00 C ATOM 0 H LEU A 50 8.524 12.724 3.968 1.00 0.00 H new ATOM 0 HA LEU A 50 6.782 10.567 5.058 1.00 0.00 H new ATOM 0 HB2 LEU A 50 8.099 10.968 2.388 1.00 0.00 H new ATOM 0 HB3 LEU A 50 7.413 9.444 2.918 1.00 0.00 H new ATOM 0 HG LEU A 50 5.901 12.048 2.573 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.808 10.911 0.687 1.00 0.00 H new ATOM 0 HD12 LEU A 50 6.562 11.084 0.440 1.00 0.00 H new ATOM 0 HD13 LEU A 50 5.881 9.510 0.917 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.875 10.716 2.984 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.887 9.302 3.363 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.954 10.748 4.399 1.00 0.00 H new ATOM 412 N ARG A 51 8.710 8.852 5.204 1.00 0.00 N ATOM 413 CA ARG A 51 9.784 8.030 5.734 1.00 0.00 C ATOM 414 C ARG A 51 9.535 6.556 5.408 1.00 0.00 C ATOM 415 O ARG A 51 8.452 6.033 5.669 1.00 0.00 O ATOM 416 CB ARG A 51 9.907 8.196 7.250 1.00 0.00 C ATOM 417 CG ARG A 51 10.981 7.265 7.818 1.00 0.00 C ATOM 418 CD ARG A 51 12.234 8.050 8.213 1.00 0.00 C ATOM 419 NE ARG A 51 12.395 8.040 9.684 1.00 0.00 N ATOM 420 CZ ARG A 51 13.249 8.828 10.352 1.00 0.00 C ATOM 421 NH1 ARG A 51 14.024 9.693 9.684 1.00 0.00 N ATOM 422 NH2 ARG A 51 13.327 8.750 11.687 1.00 0.00 N ATOM 0 H ARG A 51 7.857 8.343 4.973 1.00 0.00 H new ATOM 0 HA ARG A 51 10.713 8.357 5.267 1.00 0.00 H new ATOM 0 HB2 ARG A 51 10.155 9.231 7.487 1.00 0.00 H new ATOM 0 HB3 ARG A 51 8.948 7.982 7.722 1.00 0.00 H new ATOM 0 HG2 ARG A 51 10.588 6.739 8.688 1.00 0.00 H new ATOM 0 HG3 ARG A 51 11.240 6.508 7.078 1.00 0.00 H new ATOM 0 HD2 ARG A 51 13.112 7.611 7.740 1.00 0.00 H new ATOM 0 HD3 ARG A 51 12.158 9.076 7.854 1.00 0.00 H new ATOM 0 HE ARG A 51 11.820 7.393 10.223 1.00 0.00 H new ATOM 0 HH11 ARG A 51 13.964 9.752 8.667 1.00 0.00 H new ATOM 0 HH12 ARG A 51 14.674 10.293 10.192 1.00 0.00 H new ATOM 0 HH21 ARG A 51 12.737 8.091 12.195 1.00 0.00 H new ATOM 0 HH22 ARG A 51 13.977 9.349 12.196 1.00 0.00 H new ATOM 436 N ILE A 52 10.554 5.927 4.842 1.00 0.00 N ATOM 437 CA ILE A 52 10.459 4.524 4.477 1.00 0.00 C ATOM 438 C ILE A 52 11.284 3.689 5.459 1.00 0.00 C ATOM 439 O ILE A 52 12.364 4.104 5.877 1.00 0.00 O ATOM 440 CB ILE A 52 10.857 4.323 3.014 1.00 0.00 C ATOM 441 CG1 ILE A 52 9.921 5.092 2.080 1.00 0.00 C ATOM 442 CG2 ILE A 52 10.921 2.835 2.663 1.00 0.00 C ATOM 443 CD1 ILE A 52 9.881 4.450 0.692 1.00 0.00 C ATOM 0 H ILE A 52 11.450 6.364 4.627 1.00 0.00 H new ATOM 0 HA ILE A 52 9.428 4.180 4.553 1.00 0.00 H new ATOM 0 HB ILE A 52 11.858 4.731 2.873 1.00 0.00 H new ATOM 0 HG12 ILE A 52 8.917 5.114 2.503 1.00 0.00 H new ATOM 0 HG13 ILE A 52 10.254 6.126 1.996 1.00 0.00 H new ATOM 0 HG21 ILE A 52 11.206 2.720 1.617 1.00 0.00 H new ATOM 0 HG22 ILE A 52 11.659 2.343 3.297 1.00 0.00 H new ATOM 0 HG23 ILE A 52 9.943 2.381 2.825 1.00 0.00 H new ATOM 0 HD11 ILE A 52 9.208 5.017 0.048 1.00 0.00 H new ATOM 0 HD12 ILE A 52 10.882 4.452 0.261 1.00 0.00 H new ATOM 0 HD13 ILE A 52 9.524 3.424 0.776 1.00 0.00 H new ATOM 455 N GLY A 53 10.743 2.529 5.799 1.00 0.00 N ATOM 456 CA GLY A 53 11.416 1.632 6.724 1.00 0.00 C ATOM 457 C GLY A 53 11.263 0.175 6.284 1.00 0.00 C ATOM 458 O GLY A 53 10.576 -0.113 5.305 1.00 0.00 O ATOM 0 H GLY A 53 9.847 2.189 5.451 1.00 0.00 H new ATOM 0 HA2 GLY A 53 12.474 1.889 6.781 1.00 0.00 H new ATOM 0 HA3 GLY A 53 11.003 1.759 7.725 1.00 0.00 H new ATOM 462 N THR A 54 11.914 -0.706 7.030 1.00 0.00 N ATOM 463 CA THR A 54 11.859 -2.127 6.729 1.00 0.00 C ATOM 464 C THR A 54 11.266 -2.899 7.909 1.00 0.00 C ATOM 465 O THR A 54 11.658 -2.686 9.055 1.00 0.00 O ATOM 466 CB THR A 54 13.268 -2.584 6.349 1.00 0.00 C ATOM 467 OG1 THR A 54 13.675 -1.659 5.345 1.00 0.00 O ATOM 468 CG2 THR A 54 13.272 -3.937 5.634 1.00 0.00 C ATOM 0 H THR A 54 12.482 -0.463 7.842 1.00 0.00 H new ATOM 0 HA THR A 54 11.199 -2.328 5.886 1.00 0.00 H new ATOM 0 HB THR A 54 13.883 -2.646 7.247 1.00 0.00 H new ATOM 0 HG1 THR A 54 14.645 -1.719 5.219 1.00 0.00 H new ATOM 0 HG21 THR A 54 14.297 -4.215 5.386 1.00 0.00 H new ATOM 0 HG22 THR A 54 12.838 -4.695 6.287 1.00 0.00 H new ATOM 0 HG23 THR A 54 12.684 -3.867 4.719 1.00 0.00 H new ATOM 476 N ASP A 55 10.331 -3.782 7.588 1.00 0.00 N ATOM 477 CA ASP A 55 9.681 -4.587 8.607 1.00 0.00 C ATOM 478 C ASP A 55 10.227 -6.015 8.549 1.00 0.00 C ATOM 479 O ASP A 55 9.772 -6.825 7.743 1.00 0.00 O ATOM 480 CB ASP A 55 8.169 -4.650 8.378 1.00 0.00 C ATOM 481 CG ASP A 55 7.351 -5.108 9.587 1.00 0.00 C ATOM 482 OD1 ASP A 55 7.856 -4.929 10.716 1.00 0.00 O ATOM 483 OD2 ASP A 55 6.238 -5.628 9.354 1.00 0.00 O ATOM 0 H ASP A 55 10.009 -3.957 6.636 1.00 0.00 H new ATOM 0 HA ASP A 55 9.881 -4.129 9.576 1.00 0.00 H new ATOM 0 HB2 ASP A 55 7.821 -3.662 8.076 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.970 -5.326 7.547 1.00 0.00 H new ATOM 488 N ALA A 56 11.196 -6.280 9.413 1.00 0.00 N ATOM 489 CA ALA A 56 11.810 -7.596 9.469 1.00 0.00 C ATOM 490 C ALA A 56 10.761 -8.625 9.895 1.00 0.00 C ATOM 491 O ALA A 56 10.987 -9.829 9.787 1.00 0.00 O ATOM 492 CB ALA A 56 13.010 -7.559 10.418 1.00 0.00 C ATOM 0 H ALA A 56 11.571 -5.606 10.080 1.00 0.00 H new ATOM 0 HA ALA A 56 12.180 -7.890 8.487 1.00 0.00 H new ATOM 0 HB1 ALA A 56 13.471 -8.546 10.460 1.00 0.00 H new ATOM 0 HB2 ALA A 56 13.738 -6.834 10.055 1.00 0.00 H new ATOM 0 HB3 ALA A 56 12.677 -7.271 11.415 1.00 0.00 H new ATOM 498 N GLU A 57 9.635 -8.113 10.371 1.00 0.00 N ATOM 499 CA GLU A 57 8.550 -8.972 10.814 1.00 0.00 C ATOM 500 C GLU A 57 8.082 -9.870 9.667 1.00 0.00 C ATOM 501 O GLU A 57 7.803 -11.050 9.871 1.00 0.00 O ATOM 502 CB GLU A 57 7.390 -8.147 11.373 1.00 0.00 C ATOM 503 CG GLU A 57 6.759 -8.837 12.584 1.00 0.00 C ATOM 504 CD GLU A 57 5.697 -7.946 13.232 1.00 0.00 C ATOM 505 OE1 GLU A 57 6.106 -6.992 13.929 1.00 0.00 O ATOM 506 OE2 GLU A 57 4.502 -8.238 13.015 1.00 0.00 O ATOM 0 H GLU A 57 9.451 -7.114 10.459 1.00 0.00 H new ATOM 0 HA GLU A 57 8.921 -9.607 11.619 1.00 0.00 H new ATOM 0 HB2 GLU A 57 7.747 -7.158 11.659 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.636 -8.002 10.599 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.308 -9.780 12.275 1.00 0.00 H new ATOM 0 HG3 GLU A 57 7.532 -9.077 13.314 1.00 0.00 H new ATOM 513 N ALA A 58 8.011 -9.276 8.484 1.00 0.00 N ATOM 514 CA ALA A 58 7.582 -10.008 7.304 1.00 0.00 C ATOM 515 C ALA A 58 8.543 -9.714 6.150 1.00 0.00 C ATOM 516 O ALA A 58 8.241 -10.013 4.996 1.00 0.00 O ATOM 517 CB ALA A 58 6.137 -9.633 6.969 1.00 0.00 C ATOM 0 H ALA A 58 8.243 -8.297 8.318 1.00 0.00 H new ATOM 0 HA ALA A 58 7.606 -11.082 7.488 1.00 0.00 H new ATOM 0 HB1 ALA A 58 5.815 -10.182 6.084 1.00 0.00 H new ATOM 0 HB2 ALA A 58 5.491 -9.888 7.809 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.075 -8.562 6.775 1.00 0.00 H new ATOM 523 N ARG A 59 9.680 -9.133 6.502 1.00 0.00 N ATOM 524 CA ARG A 59 10.687 -8.796 5.510 1.00 0.00 C ATOM 525 C ARG A 59 10.048 -8.047 4.339 1.00 0.00 C ATOM 526 O ARG A 59 10.260 -8.402 3.181 1.00 0.00 O ATOM 527 CB ARG A 59 11.384 -10.052 4.984 1.00 0.00 C ATOM 528 CG ARG A 59 12.336 -10.630 6.033 1.00 0.00 C ATOM 529 CD ARG A 59 13.721 -10.886 5.434 1.00 0.00 C ATOM 530 NE ARG A 59 14.726 -10.027 6.099 1.00 0.00 N ATOM 531 CZ ARG A 59 16.028 -10.013 5.784 1.00 0.00 C ATOM 532 NH1 ARG A 59 16.491 -10.811 4.812 1.00 0.00 N ATOM 533 NH2 ARG A 59 16.868 -9.201 6.440 1.00 0.00 N ATOM 0 H ARG A 59 9.927 -8.887 7.461 1.00 0.00 H new ATOM 0 HA ARG A 59 11.428 -8.159 5.993 1.00 0.00 H new ATOM 0 HB2 ARG A 59 10.638 -10.800 4.713 1.00 0.00 H new ATOM 0 HB3 ARG A 59 11.939 -9.812 4.077 1.00 0.00 H new ATOM 0 HG2 ARG A 59 12.421 -9.940 6.872 1.00 0.00 H new ATOM 0 HG3 ARG A 59 11.928 -11.561 6.426 1.00 0.00 H new ATOM 0 HD2 ARG A 59 13.990 -11.935 5.555 1.00 0.00 H new ATOM 0 HD3 ARG A 59 13.707 -10.682 4.363 1.00 0.00 H new ATOM 0 HE ARG A 59 14.407 -9.407 6.844 1.00 0.00 H new ATOM 0 HH11 ARG A 59 15.852 -11.429 4.312 1.00 0.00 H new ATOM 0 HH12 ARG A 59 17.482 -10.800 4.572 1.00 0.00 H new ATOM 0 HH21 ARG A 59 16.516 -8.593 7.180 1.00 0.00 H new ATOM 0 HH22 ARG A 59 17.859 -9.191 6.200 1.00 0.00 H new ATOM 547 N LEU A 60 9.278 -7.024 4.681 1.00 0.00 N ATOM 548 CA LEU A 60 8.606 -6.222 3.672 1.00 0.00 C ATOM 549 C LEU A 60 8.871 -4.741 3.946 1.00 0.00 C ATOM 550 O LEU A 60 9.305 -4.375 5.037 1.00 0.00 O ATOM 551 CB LEU A 60 7.120 -6.580 3.605 1.00 0.00 C ATOM 552 CG LEU A 60 6.175 -5.666 4.388 1.00 0.00 C ATOM 553 CD1 LEU A 60 4.735 -5.814 3.894 1.00 0.00 C ATOM 554 CD2 LEU A 60 6.292 -5.916 5.893 1.00 0.00 C ATOM 0 H LEU A 60 9.105 -6.732 5.643 1.00 0.00 H new ATOM 0 HA LEU A 60 9.007 -6.440 2.682 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.813 -6.577 2.559 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.995 -7.599 3.972 1.00 0.00 H new ATOM 0 HG LEU A 60 6.473 -4.633 4.209 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.084 -5.154 4.467 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.683 -5.548 2.838 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.410 -6.846 4.024 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.610 -5.254 6.426 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.035 -6.953 6.111 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.314 -5.720 6.216 1.00 0.00 H new ATOM 566 N SER A 61 8.598 -3.927 2.936 1.00 0.00 N ATOM 567 CA SER A 61 8.801 -2.493 3.054 1.00 0.00 C ATOM 568 C SER A 61 7.576 -1.843 3.699 1.00 0.00 C ATOM 569 O SER A 61 6.442 -2.213 3.400 1.00 0.00 O ATOM 570 CB SER A 61 9.080 -1.862 1.688 1.00 0.00 C ATOM 571 OG SER A 61 8.090 -2.214 0.726 1.00 0.00 O ATOM 0 H SER A 61 8.238 -4.234 2.032 1.00 0.00 H new ATOM 0 HA SER A 61 9.671 -2.321 3.688 1.00 0.00 H new ATOM 0 HB2 SER A 61 9.117 -0.777 1.790 1.00 0.00 H new ATOM 0 HB3 SER A 61 10.060 -2.182 1.334 1.00 0.00 H new ATOM 0 HG SER A 61 8.302 -1.791 -0.132 1.00 0.00 H new ATOM 577 N VAL A 62 7.846 -0.884 4.573 1.00 0.00 N ATOM 578 CA VAL A 62 6.779 -0.178 5.263 1.00 0.00 C ATOM 579 C VAL A 62 6.953 1.328 5.056 1.00 0.00 C ATOM 580 O VAL A 62 8.038 1.789 4.706 1.00 0.00 O ATOM 581 CB VAL A 62 6.756 -0.580 6.739 1.00 0.00 C ATOM 582 CG1 VAL A 62 6.098 -1.949 6.924 1.00 0.00 C ATOM 583 CG2 VAL A 62 8.165 -0.563 7.334 1.00 0.00 C ATOM 0 H VAL A 62 8.788 -0.579 4.819 1.00 0.00 H new ATOM 0 HA VAL A 62 5.809 -0.453 4.850 1.00 0.00 H new ATOM 0 HB VAL A 62 6.157 0.155 7.277 1.00 0.00 H new ATOM 0 HG11 VAL A 62 6.095 -2.211 7.982 1.00 0.00 H new ATOM 0 HG12 VAL A 62 5.073 -1.913 6.556 1.00 0.00 H new ATOM 0 HG13 VAL A 62 6.657 -2.700 6.366 1.00 0.00 H new ATOM 0 HG21 VAL A 62 8.120 -0.853 8.384 1.00 0.00 H new ATOM 0 HG22 VAL A 62 8.798 -1.265 6.791 1.00 0.00 H new ATOM 0 HG23 VAL A 62 8.583 0.441 7.252 1.00 0.00 H new ATOM 593 N LEU A 63 5.867 2.052 5.280 1.00 0.00 N ATOM 594 CA LEU A 63 5.885 3.497 5.123 1.00 0.00 C ATOM 595 C LEU A 63 5.441 4.154 6.431 1.00 0.00 C ATOM 596 O LEU A 63 4.551 3.649 7.113 1.00 0.00 O ATOM 597 CB LEU A 63 5.049 3.914 3.911 1.00 0.00 C ATOM 598 CG LEU A 63 4.572 5.368 3.894 1.00 0.00 C ATOM 599 CD1 LEU A 63 3.427 5.581 4.886 1.00 0.00 C ATOM 600 CD2 LEU A 63 5.735 6.329 4.146 1.00 0.00 C ATOM 0 H LEU A 63 4.968 1.666 5.569 1.00 0.00 H new ATOM 0 HA LEU A 63 6.897 3.845 4.919 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.636 3.734 3.010 1.00 0.00 H new ATOM 0 HB3 LEU A 63 4.175 3.265 3.857 1.00 0.00 H new ATOM 0 HG LEU A 63 4.182 5.588 2.900 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.107 6.622 4.854 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.590 4.936 4.620 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.767 5.337 5.892 1.00 0.00 H new ATOM 0 HD21 LEU A 63 5.369 7.356 4.129 1.00 0.00 H new ATOM 0 HD22 LEU A 63 6.177 6.118 5.120 1.00 0.00 H new ATOM 0 HD23 LEU A 63 6.489 6.200 3.369 1.00 0.00 H new ATOM 612 N TYR A 64 6.084 5.270 6.743 1.00 0.00 N ATOM 613 CA TYR A 64 5.767 6.002 7.958 1.00 0.00 C ATOM 614 C TYR A 64 5.275 7.414 7.634 1.00 0.00 C ATOM 615 O TYR A 64 5.917 8.141 6.877 1.00 0.00 O ATOM 616 CB TYR A 64 7.074 6.098 8.746 1.00 0.00 C ATOM 617 CG TYR A 64 7.435 4.822 9.511 1.00 0.00 C ATOM 618 CD1 TYR A 64 7.108 4.704 10.846 1.00 0.00 C ATOM 619 CD2 TYR A 64 8.086 3.791 8.865 1.00 0.00 C ATOM 620 CE1 TYR A 64 7.447 3.504 11.566 1.00 0.00 C ATOM 621 CE2 TYR A 64 8.425 2.591 9.585 1.00 0.00 C ATOM 622 CZ TYR A 64 8.089 2.507 10.900 1.00 0.00 C ATOM 623 OH TYR A 64 8.409 1.373 11.580 1.00 0.00 O ATOM 0 H TYR A 64 6.823 5.685 6.176 1.00 0.00 H new ATOM 0 HA TYR A 64 4.979 5.496 8.516 1.00 0.00 H new ATOM 0 HB2 TYR A 64 7.884 6.338 8.058 1.00 0.00 H new ATOM 0 HB3 TYR A 64 7.000 6.925 9.453 1.00 0.00 H new ATOM 0 HD1 TYR A 64 6.598 5.511 11.351 1.00 0.00 H new ATOM 0 HD2 TYR A 64 8.341 3.884 7.820 1.00 0.00 H new ATOM 0 HE1 TYR A 64 7.197 3.398 12.611 1.00 0.00 H new ATOM 0 HE2 TYR A 64 8.934 1.776 9.092 1.00 0.00 H new ATOM 0 HH TYR A 64 7.911 1.346 12.423 1.00 0.00 H new ATOM 633 N ILE A 65 4.141 7.761 8.225 1.00 0.00 N ATOM 634 CA ILE A 65 3.556 9.074 8.009 1.00 0.00 C ATOM 635 C ILE A 65 2.755 9.480 9.248 1.00 0.00 C ATOM 636 O ILE A 65 1.651 8.983 9.468 1.00 0.00 O ATOM 637 CB ILE A 65 2.739 9.090 6.716 1.00 0.00 C ATOM 638 CG1 ILE A 65 2.076 10.453 6.504 1.00 0.00 C ATOM 639 CG2 ILE A 65 1.721 7.948 6.695 1.00 0.00 C ATOM 640 CD1 ILE A 65 1.419 10.534 5.125 1.00 0.00 C ATOM 0 H ILE A 65 3.612 7.156 8.853 1.00 0.00 H new ATOM 0 HA ILE A 65 4.337 9.822 7.874 1.00 0.00 H new ATOM 0 HB ILE A 65 3.420 8.929 5.880 1.00 0.00 H new ATOM 0 HG12 ILE A 65 1.327 10.622 7.278 1.00 0.00 H new ATOM 0 HG13 ILE A 65 2.820 11.243 6.603 1.00 0.00 H new ATOM 0 HG21 ILE A 65 1.154 7.983 5.765 1.00 0.00 H new ATOM 0 HG22 ILE A 65 2.243 6.994 6.766 1.00 0.00 H new ATOM 0 HG23 ILE A 65 1.040 8.052 7.539 1.00 0.00 H new ATOM 0 HD11 ILE A 65 0.955 11.512 5.000 1.00 0.00 H new ATOM 0 HD12 ILE A 65 2.175 10.389 4.353 1.00 0.00 H new ATOM 0 HD13 ILE A 65 0.658 9.758 5.038 1.00 0.00 H new ATOM 652 N ASP A 66 3.342 10.378 10.025 1.00 0.00 N ATOM 653 CA ASP A 66 2.696 10.857 11.235 1.00 0.00 C ATOM 654 C ASP A 66 2.948 9.861 12.370 1.00 0.00 C ATOM 655 O ASP A 66 2.086 9.657 13.223 1.00 0.00 O ATOM 656 CB ASP A 66 1.184 10.980 11.041 1.00 0.00 C ATOM 657 CG ASP A 66 0.544 12.201 11.705 1.00 0.00 C ATOM 658 OD1 ASP A 66 1.026 13.319 11.422 1.00 0.00 O ATOM 659 OD2 ASP A 66 -0.413 11.989 12.481 1.00 0.00 O ATOM 0 H ASP A 66 4.258 10.787 9.840 1.00 0.00 H new ATOM 0 HA ASP A 66 3.109 11.837 11.473 1.00 0.00 H new ATOM 0 HB2 ASP A 66 0.971 11.013 9.972 1.00 0.00 H new ATOM 0 HB3 ASP A 66 0.708 10.081 11.433 1.00 0.00 H new ATOM 664 N GLY A 67 4.132 9.269 12.342 1.00 0.00 N ATOM 665 CA GLY A 67 4.508 8.299 13.358 1.00 0.00 C ATOM 666 C GLY A 67 3.614 7.059 13.289 1.00 0.00 C ATOM 667 O GLY A 67 3.181 6.544 14.319 1.00 0.00 O ATOM 0 H GLY A 67 4.844 9.441 11.632 1.00 0.00 H new ATOM 0 HA2 GLY A 67 5.550 8.009 13.221 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.431 8.753 14.346 1.00 0.00 H new ATOM 671 N LYS A 68 3.365 6.616 12.066 1.00 0.00 N ATOM 672 CA LYS A 68 2.532 5.446 11.849 1.00 0.00 C ATOM 673 C LYS A 68 3.353 4.361 11.149 1.00 0.00 C ATOM 674 O LYS A 68 4.498 4.596 10.764 1.00 0.00 O ATOM 675 CB LYS A 68 1.254 5.829 11.100 1.00 0.00 C ATOM 676 CG LYS A 68 1.491 5.853 9.588 1.00 0.00 C ATOM 677 CD LYS A 68 0.632 4.803 8.882 1.00 0.00 C ATOM 678 CE LYS A 68 -0.844 4.966 9.249 1.00 0.00 C ATOM 679 NZ LYS A 68 -1.302 3.823 10.071 1.00 0.00 N ATOM 0 H LYS A 68 3.726 7.047 11.215 1.00 0.00 H new ATOM 0 HA LYS A 68 2.204 5.032 12.802 1.00 0.00 H new ATOM 0 HB2 LYS A 68 0.463 5.118 11.336 1.00 0.00 H new ATOM 0 HB3 LYS A 68 0.912 6.809 11.434 1.00 0.00 H new ATOM 0 HG2 LYS A 68 1.258 6.843 9.195 1.00 0.00 H new ATOM 0 HG3 LYS A 68 2.544 5.667 9.378 1.00 0.00 H new ATOM 0 HD2 LYS A 68 0.754 4.894 7.803 1.00 0.00 H new ATOM 0 HD3 LYS A 68 0.971 3.805 9.158 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -0.988 5.897 9.797 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -1.445 5.034 8.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -1.958 4.163 10.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -1.787 3.132 9.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -0.482 3.371 10.524 1.00 0.00 H new ATOM 693 N ARG A 69 2.737 3.197 11.005 1.00 0.00 N ATOM 694 CA ARG A 69 3.397 2.076 10.358 1.00 0.00 C ATOM 695 C ARG A 69 2.365 1.169 9.686 1.00 0.00 C ATOM 696 O ARG A 69 1.534 0.562 10.360 1.00 0.00 O ATOM 697 CB ARG A 69 4.207 1.257 11.365 1.00 0.00 C ATOM 698 CG ARG A 69 5.398 0.576 10.688 1.00 0.00 C ATOM 699 CD ARG A 69 5.037 -0.842 10.242 1.00 0.00 C ATOM 700 NE ARG A 69 6.039 -1.803 10.755 1.00 0.00 N ATOM 701 CZ ARG A 69 6.004 -2.343 11.981 1.00 0.00 C ATOM 702 NH1 ARG A 69 5.017 -2.020 12.827 1.00 0.00 N ATOM 703 NH2 ARG A 69 6.956 -3.207 12.360 1.00 0.00 N ATOM 0 H ARG A 69 1.788 3.006 11.325 1.00 0.00 H new ATOM 0 HA ARG A 69 4.076 2.480 9.606 1.00 0.00 H new ATOM 0 HB2 ARG A 69 4.562 1.906 12.165 1.00 0.00 H new ATOM 0 HB3 ARG A 69 3.567 0.504 11.825 1.00 0.00 H new ATOM 0 HG2 ARG A 69 5.715 1.163 9.826 1.00 0.00 H new ATOM 0 HG3 ARG A 69 6.242 0.541 11.377 1.00 0.00 H new ATOM 0 HD2 ARG A 69 4.045 -1.107 10.609 1.00 0.00 H new ATOM 0 HD3 ARG A 69 4.997 -0.891 9.154 1.00 0.00 H new ATOM 0 HE ARG A 69 6.804 -2.071 10.136 1.00 0.00 H new ATOM 0 HH11 ARG A 69 4.292 -1.363 12.538 1.00 0.00 H new ATOM 0 HH12 ARG A 69 4.990 -2.431 13.760 1.00 0.00 H new ATOM 0 HH21 ARG A 69 7.707 -3.453 11.715 1.00 0.00 H new ATOM 0 HH22 ARG A 69 6.929 -3.618 13.293 1.00 0.00 H new ATOM 717 N LEU A 70 2.452 1.104 8.365 1.00 0.00 N ATOM 718 CA LEU A 70 1.536 0.280 7.594 1.00 0.00 C ATOM 719 C LEU A 70 2.300 -0.391 6.451 1.00 0.00 C ATOM 720 O LEU A 70 3.444 -0.036 6.171 1.00 0.00 O ATOM 721 CB LEU A 70 0.335 1.106 7.129 1.00 0.00 C ATOM 722 CG LEU A 70 0.347 1.541 5.663 1.00 0.00 C ATOM 723 CD1 LEU A 70 -0.562 0.647 4.818 1.00 0.00 C ATOM 724 CD2 LEU A 70 -0.017 3.021 5.527 1.00 0.00 C ATOM 0 H LEU A 70 3.143 1.608 7.809 1.00 0.00 H new ATOM 0 HA LEU A 70 1.125 -0.516 8.215 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.571 0.526 7.308 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.270 1.998 7.752 1.00 0.00 H new ATOM 0 HG LEU A 70 1.361 1.422 5.280 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.535 0.978 3.780 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -0.216 -0.385 4.879 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.584 0.710 5.192 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -0.001 3.304 4.475 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -1.014 3.189 5.933 1.00 0.00 H new ATOM 0 HD23 LEU A 70 0.705 3.625 6.076 1.00 0.00 H new ATOM 736 N HIS A 71 1.636 -1.350 5.822 1.00 0.00 N ATOM 737 CA HIS A 71 2.238 -2.075 4.716 1.00 0.00 C ATOM 738 C HIS A 71 1.725 -1.508 3.391 1.00 0.00 C ATOM 739 O HIS A 71 0.564 -1.705 3.035 1.00 0.00 O ATOM 740 CB HIS A 71 1.991 -3.579 4.853 1.00 0.00 C ATOM 741 CG HIS A 71 0.689 -3.927 5.534 1.00 0.00 C ATOM 742 ND1 HIS A 71 0.607 -4.837 6.574 1.00 0.00 N ATOM 743 CD2 HIS A 71 -0.580 -3.478 5.314 1.00 0.00 C ATOM 744 CE1 HIS A 71 -0.659 -4.925 6.954 1.00 0.00 C ATOM 745 NE2 HIS A 71 -1.393 -4.082 6.172 1.00 0.00 N ATOM 0 H HIS A 71 0.687 -1.642 6.057 1.00 0.00 H new ATOM 0 HA HIS A 71 3.320 -1.941 4.734 1.00 0.00 H new ATOM 0 HB2 HIS A 71 2.003 -4.031 3.861 1.00 0.00 H new ATOM 0 HB3 HIS A 71 2.813 -4.022 5.415 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -0.874 -2.754 4.568 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -1.043 -5.554 7.744 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -2.401 -3.939 6.236 1.00 0.00 H new ATOM 753 N ILE A 72 2.615 -0.815 2.697 1.00 0.00 N ATOM 754 CA ILE A 72 2.267 -0.217 1.419 1.00 0.00 C ATOM 755 C ILE A 72 2.849 -1.068 0.288 1.00 0.00 C ATOM 756 O ILE A 72 3.646 -1.973 0.533 1.00 0.00 O ATOM 757 CB ILE A 72 2.706 1.248 1.374 1.00 0.00 C ATOM 758 CG1 ILE A 72 4.218 1.373 1.576 1.00 0.00 C ATOM 759 CG2 ILE A 72 1.922 2.086 2.385 1.00 0.00 C ATOM 760 CD1 ILE A 72 4.828 2.342 0.561 1.00 0.00 C ATOM 0 H ILE A 72 3.577 -0.654 2.995 1.00 0.00 H new ATOM 0 HA ILE A 72 1.185 -0.205 1.287 1.00 0.00 H new ATOM 0 HB ILE A 72 2.479 1.643 0.384 1.00 0.00 H new ATOM 0 HG12 ILE A 72 4.426 1.722 2.588 1.00 0.00 H new ATOM 0 HG13 ILE A 72 4.684 0.393 1.475 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.253 3.123 2.333 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.858 2.033 2.154 1.00 0.00 H new ATOM 0 HG23 ILE A 72 2.095 1.700 3.390 1.00 0.00 H new ATOM 0 HD11 ILE A 72 5.903 2.413 0.726 1.00 0.00 H new ATOM 0 HD12 ILE A 72 4.639 1.978 -0.449 1.00 0.00 H new ATOM 0 HD13 ILE A 72 4.377 3.327 0.682 1.00 0.00 H new ATOM 772 N SER A 73 2.428 -0.748 -0.927 1.00 0.00 N ATOM 773 CA SER A 73 2.897 -1.471 -2.097 1.00 0.00 C ATOM 774 C SER A 73 4.362 -1.126 -2.373 1.00 0.00 C ATOM 775 O SER A 73 4.788 0.007 -2.155 1.00 0.00 O ATOM 776 CB SER A 73 2.037 -1.155 -3.322 1.00 0.00 C ATOM 777 OG SER A 73 1.711 -2.328 -4.062 1.00 0.00 O ATOM 0 H SER A 73 1.767 0.003 -1.127 1.00 0.00 H new ATOM 0 HA SER A 73 2.814 -2.539 -1.895 1.00 0.00 H new ATOM 0 HB2 SER A 73 1.119 -0.661 -3.003 1.00 0.00 H new ATOM 0 HB3 SER A 73 2.568 -0.455 -3.967 1.00 0.00 H new ATOM 0 HG SER A 73 1.160 -2.085 -4.835 1.00 0.00 H new ATOM 783 N GLU A 74 5.093 -2.124 -2.848 1.00 0.00 N ATOM 784 CA GLU A 74 6.501 -1.940 -3.156 1.00 0.00 C ATOM 785 C GLU A 74 6.682 -0.782 -4.140 1.00 0.00 C ATOM 786 O GLU A 74 7.541 0.076 -3.942 1.00 0.00 O ATOM 787 CB GLU A 74 7.114 -3.229 -3.707 1.00 0.00 C ATOM 788 CG GLU A 74 6.726 -3.438 -5.172 1.00 0.00 C ATOM 789 CD GLU A 74 7.228 -4.790 -5.685 1.00 0.00 C ATOM 790 OE1 GLU A 74 8.102 -4.769 -6.577 1.00 0.00 O ATOM 791 OE2 GLU A 74 6.725 -5.813 -5.172 1.00 0.00 O ATOM 0 H GLU A 74 4.736 -3.063 -3.027 1.00 0.00 H new ATOM 0 HA GLU A 74 7.026 -1.692 -2.233 1.00 0.00 H new ATOM 0 HB2 GLU A 74 8.199 -3.187 -3.617 1.00 0.00 H new ATOM 0 HB3 GLU A 74 6.777 -4.079 -3.113 1.00 0.00 H new ATOM 0 HG2 GLU A 74 5.642 -3.385 -5.276 1.00 0.00 H new ATOM 0 HG3 GLU A 74 7.144 -2.636 -5.781 1.00 0.00 H new ATOM 798 N GLU A 75 5.859 -0.796 -5.178 1.00 0.00 N ATOM 799 CA GLU A 75 5.918 0.243 -6.193 1.00 0.00 C ATOM 800 C GLU A 75 5.578 1.603 -5.581 1.00 0.00 C ATOM 801 O GLU A 75 6.228 2.603 -5.881 1.00 0.00 O ATOM 802 CB GLU A 75 4.987 -0.081 -7.363 1.00 0.00 C ATOM 803 CG GLU A 75 3.520 0.066 -6.953 1.00 0.00 C ATOM 804 CD GLU A 75 2.590 -0.465 -8.045 1.00 0.00 C ATOM 805 OE1 GLU A 75 2.017 -1.553 -7.824 1.00 0.00 O ATOM 806 OE2 GLU A 75 2.473 0.230 -9.078 1.00 0.00 O ATOM 0 H GLU A 75 5.148 -1.510 -5.338 1.00 0.00 H new ATOM 0 HA GLU A 75 6.935 0.287 -6.582 1.00 0.00 H new ATOM 0 HB2 GLU A 75 5.203 0.584 -8.199 1.00 0.00 H new ATOM 0 HB3 GLU A 75 5.172 -1.098 -7.709 1.00 0.00 H new ATOM 0 HG2 GLU A 75 3.342 -0.476 -6.024 1.00 0.00 H new ATOM 0 HG3 GLU A 75 3.296 1.115 -6.758 1.00 0.00 H new ATOM 813 N ASP A 76 4.559 1.597 -4.734 1.00 0.00 N ATOM 814 CA ASP A 76 4.124 2.817 -4.077 1.00 0.00 C ATOM 815 C ASP A 76 5.235 3.317 -3.151 1.00 0.00 C ATOM 816 O ASP A 76 5.439 4.522 -3.014 1.00 0.00 O ATOM 817 CB ASP A 76 2.876 2.571 -3.227 1.00 0.00 C ATOM 818 CG ASP A 76 1.606 3.262 -3.729 1.00 0.00 C ATOM 819 OD1 ASP A 76 1.755 4.302 -4.406 1.00 0.00 O ATOM 820 OD2 ASP A 76 0.515 2.735 -3.423 1.00 0.00 O ATOM 0 H ASP A 76 4.022 0.766 -4.488 1.00 0.00 H new ATOM 0 HA ASP A 76 3.895 3.552 -4.849 1.00 0.00 H new ATOM 0 HB2 ASP A 76 2.693 1.498 -3.179 1.00 0.00 H new ATOM 0 HB3 ASP A 76 3.076 2.906 -2.209 1.00 0.00 H new ATOM 825 N ALA A 77 5.924 2.365 -2.540 1.00 0.00 N ATOM 826 CA ALA A 77 7.010 2.693 -1.631 1.00 0.00 C ATOM 827 C ALA A 77 8.164 3.310 -2.423 1.00 0.00 C ATOM 828 O ALA A 77 8.915 4.129 -1.896 1.00 0.00 O ATOM 829 CB ALA A 77 7.433 1.437 -0.866 1.00 0.00 C ATOM 0 H ALA A 77 5.752 1.366 -2.656 1.00 0.00 H new ATOM 0 HA ALA A 77 6.685 3.429 -0.895 1.00 0.00 H new ATOM 0 HB1 ALA A 77 8.247 1.683 -0.184 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.586 1.055 -0.296 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.768 0.677 -1.572 1.00 0.00 H new ATOM 835 N GLN A 78 8.269 2.892 -3.676 1.00 0.00 N ATOM 836 CA GLN A 78 9.320 3.393 -4.546 1.00 0.00 C ATOM 837 C GLN A 78 8.969 4.795 -5.048 1.00 0.00 C ATOM 838 O GLN A 78 9.847 5.644 -5.195 1.00 0.00 O ATOM 839 CB GLN A 78 9.565 2.438 -5.715 1.00 0.00 C ATOM 840 CG GLN A 78 10.438 3.095 -6.787 1.00 0.00 C ATOM 841 CD GLN A 78 11.855 3.341 -6.265 1.00 0.00 C ATOM 842 OE1 GLN A 78 12.723 2.485 -6.324 1.00 0.00 O ATOM 843 NE2 GLN A 78 12.040 4.554 -5.752 1.00 0.00 N ATOM 0 H GLN A 78 7.644 2.212 -4.109 1.00 0.00 H new ATOM 0 HA GLN A 78 10.243 3.455 -3.970 1.00 0.00 H new ATOM 0 HB2 GLN A 78 10.049 1.531 -5.353 1.00 0.00 H new ATOM 0 HB3 GLN A 78 8.612 2.139 -6.151 1.00 0.00 H new ATOM 0 HG2 GLN A 78 10.478 2.457 -7.670 1.00 0.00 H new ATOM 0 HG3 GLN A 78 9.991 4.040 -7.096 1.00 0.00 H new ATOM 0 HE21 GLN A 78 11.270 5.223 -5.734 1.00 0.00 H new ATOM 0 HE22 GLN A 78 12.952 4.815 -5.377 1.00 0.00 H new ATOM 852 N ARG A 79 7.683 4.995 -5.298 1.00 0.00 N ATOM 853 CA ARG A 79 7.205 6.280 -5.781 1.00 0.00 C ATOM 854 C ARG A 79 7.375 7.349 -4.700 1.00 0.00 C ATOM 855 O ARG A 79 7.603 8.518 -5.009 1.00 0.00 O ATOM 856 CB ARG A 79 5.732 6.203 -6.185 1.00 0.00 C ATOM 857 CG ARG A 79 5.569 6.375 -7.697 1.00 0.00 C ATOM 858 CD ARG A 79 4.090 6.424 -8.086 1.00 0.00 C ATOM 859 NE ARG A 79 3.858 5.606 -9.298 1.00 0.00 N ATOM 860 CZ ARG A 79 2.692 5.551 -9.955 1.00 0.00 C ATOM 861 NH1 ARG A 79 1.644 6.265 -9.522 1.00 0.00 N ATOM 862 NH2 ARG A 79 2.573 4.781 -11.046 1.00 0.00 N ATOM 0 H ARG A 79 6.957 4.289 -5.175 1.00 0.00 H new ATOM 0 HA ARG A 79 7.797 6.546 -6.657 1.00 0.00 H new ATOM 0 HB2 ARG A 79 5.316 5.243 -5.878 1.00 0.00 H new ATOM 0 HB3 ARG A 79 5.167 6.976 -5.664 1.00 0.00 H new ATOM 0 HG2 ARG A 79 6.064 7.292 -8.018 1.00 0.00 H new ATOM 0 HG3 ARG A 79 6.058 5.550 -8.215 1.00 0.00 H new ATOM 0 HD2 ARG A 79 3.477 6.054 -7.264 1.00 0.00 H new ATOM 0 HD3 ARG A 79 3.788 7.455 -8.270 1.00 0.00 H new ATOM 0 HE ARG A 79 4.635 5.049 -9.655 1.00 0.00 H new ATOM 0 HH11 ARG A 79 1.734 6.851 -8.692 1.00 0.00 H new ATOM 0 HH12 ARG A 79 0.756 6.223 -10.023 1.00 0.00 H new ATOM 0 HH21 ARG A 79 3.370 4.237 -11.376 1.00 0.00 H new ATOM 0 HH22 ARG A 79 1.685 4.739 -11.546 1.00 0.00 H new ATOM 876 N LEU A 80 7.258 6.911 -3.455 1.00 0.00 N ATOM 877 CA LEU A 80 7.395 7.816 -2.327 1.00 0.00 C ATOM 878 C LEU A 80 8.803 8.417 -2.329 1.00 0.00 C ATOM 879 O LEU A 80 8.964 9.630 -2.210 1.00 0.00 O ATOM 880 CB LEU A 80 7.032 7.105 -1.022 1.00 0.00 C ATOM 881 CG LEU A 80 5.542 6.851 -0.788 1.00 0.00 C ATOM 882 CD1 LEU A 80 5.284 6.375 0.643 1.00 0.00 C ATOM 883 CD2 LEU A 80 4.714 8.089 -1.138 1.00 0.00 C ATOM 0 H LEU A 80 7.070 5.941 -3.203 1.00 0.00 H new ATOM 0 HA LEU A 80 6.693 8.645 -2.417 1.00 0.00 H new ATOM 0 HB2 LEU A 80 7.552 6.147 -0.997 1.00 0.00 H new ATOM 0 HB3 LEU A 80 7.414 7.697 -0.190 1.00 0.00 H new ATOM 0 HG LEU A 80 5.223 6.050 -1.455 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.217 6.202 0.782 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.828 5.448 0.822 1.00 0.00 H new ATOM 0 HD13 LEU A 80 5.623 7.136 1.346 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.658 7.882 -0.963 1.00 0.00 H new ATOM 0 HD22 LEU A 80 5.028 8.925 -0.514 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.865 8.343 -2.187 1.00 0.00 H new ATOM 895 N VAL A 81 9.786 7.539 -2.466 1.00 0.00 N ATOM 896 CA VAL A 81 11.174 7.968 -2.486 1.00 0.00 C ATOM 897 C VAL A 81 11.399 8.900 -3.678 1.00 0.00 C ATOM 898 O VAL A 81 11.931 9.998 -3.520 1.00 0.00 O ATOM 899 CB VAL A 81 12.098 6.748 -2.498 1.00 0.00 C ATOM 900 CG1 VAL A 81 13.556 7.167 -2.696 1.00 0.00 C ATOM 901 CG2 VAL A 81 11.933 5.922 -1.221 1.00 0.00 C ATOM 0 H VAL A 81 9.649 6.533 -2.564 1.00 0.00 H new ATOM 0 HA VAL A 81 11.413 8.532 -1.584 1.00 0.00 H new ATOM 0 HB VAL A 81 11.812 6.120 -3.342 1.00 0.00 H new ATOM 0 HG11 VAL A 81 14.192 6.282 -2.701 1.00 0.00 H new ATOM 0 HG12 VAL A 81 13.658 7.692 -3.646 1.00 0.00 H new ATOM 0 HG13 VAL A 81 13.859 7.827 -1.883 1.00 0.00 H new ATOM 0 HG21 VAL A 81 12.601 5.061 -1.256 1.00 0.00 H new ATOM 0 HG22 VAL A 81 12.179 6.537 -0.355 1.00 0.00 H new ATOM 0 HG23 VAL A 81 10.902 5.578 -1.141 1.00 0.00 H new ATOM 911 N VAL A 82 10.983 8.429 -4.844 1.00 0.00 N ATOM 912 CA VAL A 82 11.132 9.206 -6.062 1.00 0.00 C ATOM 913 C VAL A 82 10.495 10.583 -5.864 1.00 0.00 C ATOM 914 O VAL A 82 11.000 11.584 -6.371 1.00 0.00 O ATOM 915 CB VAL A 82 10.543 8.440 -7.248 1.00 0.00 C ATOM 916 CG1 VAL A 82 10.396 9.349 -8.470 1.00 0.00 C ATOM 917 CG2 VAL A 82 11.388 7.208 -7.579 1.00 0.00 C ATOM 0 H VAL A 82 10.542 7.518 -4.971 1.00 0.00 H new ATOM 0 HA VAL A 82 12.187 9.364 -6.287 1.00 0.00 H new ATOM 0 HB VAL A 82 9.548 8.097 -6.964 1.00 0.00 H new ATOM 0 HG11 VAL A 82 9.975 8.779 -9.299 1.00 0.00 H new ATOM 0 HG12 VAL A 82 9.734 10.180 -8.228 1.00 0.00 H new ATOM 0 HG13 VAL A 82 11.374 9.736 -8.755 1.00 0.00 H new ATOM 0 HG21 VAL A 82 10.947 6.681 -8.426 1.00 0.00 H new ATOM 0 HG22 VAL A 82 12.401 7.519 -7.833 1.00 0.00 H new ATOM 0 HG23 VAL A 82 11.418 6.544 -6.715 1.00 0.00 H new ATOM 927 N ALA A 83 9.395 10.590 -5.125 1.00 0.00 N ATOM 928 CA ALA A 83 8.684 11.828 -4.854 1.00 0.00 C ATOM 929 C ALA A 83 9.548 12.723 -3.964 1.00 0.00 C ATOM 930 O ALA A 83 9.358 13.938 -3.928 1.00 0.00 O ATOM 931 CB ALA A 83 7.328 11.509 -4.220 1.00 0.00 C ATOM 0 H ALA A 83 8.979 9.758 -4.706 1.00 0.00 H new ATOM 0 HA ALA A 83 8.492 12.371 -5.779 1.00 0.00 H new ATOM 0 HB1 ALA A 83 6.794 12.437 -4.016 1.00 0.00 H new ATOM 0 HB2 ALA A 83 6.742 10.896 -4.904 1.00 0.00 H new ATOM 0 HB3 ALA A 83 7.481 10.966 -3.287 1.00 0.00 H new ATOM 937 N GLY A 84 10.478 12.088 -3.266 1.00 0.00 N ATOM 938 CA GLY A 84 11.372 12.812 -2.378 1.00 0.00 C ATOM 939 C GLY A 84 11.233 12.317 -0.937 1.00 0.00 C ATOM 940 O GLY A 84 11.791 12.911 -0.016 1.00 0.00 O ATOM 0 H GLY A 84 10.632 11.080 -3.297 1.00 0.00 H new ATOM 0 HA2 GLY A 84 12.402 12.686 -2.712 1.00 0.00 H new ATOM 0 HA3 GLY A 84 11.150 13.878 -2.423 1.00 0.00 H new ATOM 944 N ALA A 85 10.485 11.234 -0.787 1.00 0.00 N ATOM 945 CA ALA A 85 10.265 10.652 0.526 1.00 0.00 C ATOM 946 C ALA A 85 11.576 10.054 1.040 1.00 0.00 C ATOM 947 O ALA A 85 12.444 9.683 0.252 1.00 0.00 O ATOM 948 CB ALA A 85 9.143 9.615 0.444 1.00 0.00 C ATOM 0 H ALA A 85 10.023 10.744 -1.553 1.00 0.00 H new ATOM 0 HA ALA A 85 9.950 11.416 1.237 1.00 0.00 H new ATOM 0 HB1 ALA A 85 8.978 9.179 1.429 1.00 0.00 H new ATOM 0 HB2 ALA A 85 8.227 10.097 0.103 1.00 0.00 H new ATOM 0 HB3 ALA A 85 9.424 8.830 -0.258 1.00 0.00 H new ATOM 954 N GLU A 86 11.678 9.979 2.359 1.00 0.00 N ATOM 955 CA GLU A 86 12.868 9.432 2.988 1.00 0.00 C ATOM 956 C GLU A 86 13.109 7.998 2.511 1.00 0.00 C ATOM 957 O GLU A 86 12.167 7.290 2.160 1.00 0.00 O ATOM 958 CB GLU A 86 12.759 9.492 4.513 1.00 0.00 C ATOM 959 CG GLU A 86 13.951 10.237 5.119 1.00 0.00 C ATOM 960 CD GLU A 86 14.002 11.684 4.624 1.00 0.00 C ATOM 961 OE1 GLU A 86 15.130 12.155 4.366 1.00 0.00 O ATOM 962 OE2 GLU A 86 12.911 12.285 4.515 1.00 0.00 O ATOM 0 H GLU A 86 10.956 10.288 3.009 1.00 0.00 H new ATOM 0 HA GLU A 86 13.723 10.040 2.694 1.00 0.00 H new ATOM 0 HB2 GLU A 86 11.832 9.991 4.796 1.00 0.00 H new ATOM 0 HB3 GLU A 86 12.713 8.481 4.918 1.00 0.00 H new ATOM 0 HG2 GLU A 86 13.878 10.223 6.206 1.00 0.00 H new ATOM 0 HG3 GLU A 86 14.877 9.726 4.855 1.00 0.00 H new ATOM 969 N ASP A 87 14.377 7.613 2.513 1.00 0.00 N ATOM 970 CA ASP A 87 14.754 6.277 2.085 1.00 0.00 C ATOM 971 C ASP A 87 15.725 5.675 3.103 1.00 0.00 C ATOM 972 O ASP A 87 16.915 5.986 3.090 1.00 0.00 O ATOM 973 CB ASP A 87 15.455 6.311 0.726 1.00 0.00 C ATOM 974 CG ASP A 87 15.233 5.075 -0.147 1.00 0.00 C ATOM 975 OD1 ASP A 87 15.993 4.930 -1.130 1.00 0.00 O ATOM 976 OD2 ASP A 87 14.309 4.302 0.187 1.00 0.00 O ATOM 0 H ASP A 87 15.156 8.203 2.804 1.00 0.00 H new ATOM 0 HA ASP A 87 13.846 5.679 2.007 1.00 0.00 H new ATOM 0 HB2 ASP A 87 15.113 7.190 0.179 1.00 0.00 H new ATOM 0 HB3 ASP A 87 16.526 6.434 0.889 1.00 0.00 H new ATOM 981 N GLN A 88 15.181 4.824 3.961 1.00 0.00 N ATOM 982 CA GLN A 88 15.984 4.176 4.983 1.00 0.00 C ATOM 983 C GLN A 88 15.898 2.655 4.841 1.00 0.00 C ATOM 984 O GLN A 88 16.655 1.924 5.479 1.00 0.00 O ATOM 985 CB GLN A 88 15.554 4.621 6.382 1.00 0.00 C ATOM 986 CG GLN A 88 15.582 6.146 6.505 1.00 0.00 C ATOM 987 CD GLN A 88 16.971 6.698 6.180 1.00 0.00 C ATOM 988 OE1 GLN A 88 17.991 6.114 6.508 1.00 0.00 O ATOM 989 NE2 GLN A 88 16.954 7.852 5.519 1.00 0.00 N ATOM 0 H GLN A 88 14.194 4.569 3.969 1.00 0.00 H new ATOM 0 HA GLN A 88 17.023 4.476 4.845 1.00 0.00 H new ATOM 0 HB2 GLN A 88 14.549 4.254 6.591 1.00 0.00 H new ATOM 0 HB3 GLN A 88 16.216 4.180 7.127 1.00 0.00 H new ATOM 0 HG2 GLN A 88 14.846 6.582 5.829 1.00 0.00 H new ATOM 0 HG3 GLN A 88 15.298 6.438 7.516 1.00 0.00 H new ATOM 0 HE21 GLN A 88 16.064 8.287 5.275 1.00 0.00 H new ATOM 0 HE22 GLN A 88 17.831 8.302 5.256 1.00 0.00 H new ATOM 998 N ARG A 89 14.969 2.223 4.000 1.00 0.00 N ATOM 999 CA ARG A 89 14.775 0.802 3.767 1.00 0.00 C ATOM 1000 C ARG A 89 16.113 0.125 3.468 1.00 0.00 C ATOM 1001 O ARG A 89 16.436 -0.907 4.055 1.00 0.00 O ATOM 1002 CB ARG A 89 13.817 0.563 2.597 1.00 0.00 C ATOM 1003 CG ARG A 89 12.548 -0.151 3.065 1.00 0.00 C ATOM 1004 CD ARG A 89 12.593 -1.639 2.710 1.00 0.00 C ATOM 1005 NE ARG A 89 12.704 -1.806 1.243 1.00 0.00 N ATOM 1006 CZ ARG A 89 13.856 -2.034 0.598 1.00 0.00 C ATOM 1007 NH1 ARG A 89 15.002 -2.125 1.286 1.00 0.00 N ATOM 1008 NH2 ARG A 89 13.862 -2.173 -0.734 1.00 0.00 N ATOM 0 H ARG A 89 14.343 2.832 3.472 1.00 0.00 H new ATOM 0 HA ARG A 89 14.342 0.373 4.671 1.00 0.00 H new ATOM 0 HB2 ARG A 89 13.554 1.516 2.137 1.00 0.00 H new ATOM 0 HB3 ARG A 89 14.313 -0.034 1.832 1.00 0.00 H new ATOM 0 HG2 ARG A 89 12.437 -0.034 4.143 1.00 0.00 H new ATOM 0 HG3 ARG A 89 11.675 0.311 2.603 1.00 0.00 H new ATOM 0 HD2 ARG A 89 13.441 -2.114 3.204 1.00 0.00 H new ATOM 0 HD3 ARG A 89 11.694 -2.136 3.074 1.00 0.00 H new ATOM 0 HE ARG A 89 11.850 -1.744 0.689 1.00 0.00 H new ATOM 0 HH11 ARG A 89 14.997 -2.021 2.301 1.00 0.00 H new ATOM 0 HH12 ARG A 89 15.879 -2.299 0.795 1.00 0.00 H new ATOM 0 HH21 ARG A 89 12.989 -2.105 -1.258 1.00 0.00 H new ATOM 0 HH22 ARG A 89 14.739 -2.347 -1.225 1.00 0.00 H new