USER MOD reduce.3.24.130724 H: found=0, std=0, add=516, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 518 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 37 ASN : amide:sc= 0.694 K(o=1.4,f=1.9) USER MOD Set 1.2: A 42 THR OG1 : rot 180:sc= 0.685 USER MOD Single : A 2 THR OG1 : rot 133:sc= 1.23 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= 0.858 K(o=0.86,f=-0.2) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc=-0.00326 X(o=-0.0033,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= 1.05 K(o=1.1,f=-3.8) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= -0.166 USER MOD Single : A 48 ASN : amide:sc= -1.71 K(o=-1.7,f=-6.2!) USER MOD Single : A 50 LYS NZ :NH3+ 177:sc= 1.13 (180deg=0.993) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 142:sc= 0.698 (180deg=-1.13!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 30:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 159:sc= 1.04 (180deg=0.547) USER MOD ----------------------------------------------------------------- ATOM 19 N THR A 2 -8.195 10.637 8.209 1.00 10.00 N ATOM 20 CA THR A 2 -7.352 9.846 7.329 1.00 10.00 C ATOM 21 C THR A 2 -7.579 10.318 5.888 1.00 10.00 C ATOM 22 O THR A 2 -8.548 11.031 5.622 1.00 10.00 O ATOM 23 CB THR A 2 -7.726 8.373 7.560 1.00 10.00 C ATOM 24 OG1 THR A 2 -9.138 8.263 7.677 1.00 10.00 O ATOM 25 CG2 THR A 2 -7.082 7.902 8.874 1.00 10.00 C ATOM 0 HA THR A 2 -6.287 9.962 7.531 1.00 10.00 H new ATOM 0 HB THR A 2 -7.375 7.765 6.727 1.00 10.00 H new ATOM 0 HG1 THR A 2 -9.456 7.524 7.118 1.00 10.00 H new ATOM 0 HG21 THR A 2 -7.339 6.858 9.051 1.00 10.00 H new ATOM 0 HG22 THR A 2 -5.999 8.003 8.805 1.00 10.00 H new ATOM 0 HG23 THR A 2 -7.451 8.511 9.699 1.00 10.00 H new ATOM 33 N GLU A 3 -6.656 9.975 4.987 1.00 10.00 N ATOM 34 CA GLU A 3 -6.562 10.474 3.623 1.00 10.00 C ATOM 35 C GLU A 3 -6.305 9.284 2.701 1.00 10.00 C ATOM 36 O GLU A 3 -5.521 8.398 3.047 1.00 10.00 O ATOM 37 CB GLU A 3 -5.409 11.487 3.555 1.00 10.00 C ATOM 38 CG GLU A 3 -5.899 12.883 3.166 1.00 10.00 C ATOM 39 CD GLU A 3 -4.799 13.910 3.394 1.00 10.00 C ATOM 40 OE1 GLU A 3 -3.766 13.791 2.703 1.00 10.00 O ATOM 41 OE2 GLU A 3 -4.994 14.762 4.287 1.00 10.00 O ATOM 0 H GLU A 3 -5.918 9.306 5.206 1.00 10.00 H new ATOM 0 HA GLU A 3 -7.481 10.972 3.312 1.00 10.00 H new ATOM 0 HB2 GLU A 3 -4.909 11.534 4.523 1.00 10.00 H new ATOM 0 HB3 GLU A 3 -4.669 11.147 2.830 1.00 10.00 H new ATOM 0 HG2 GLU A 3 -6.202 12.891 2.119 1.00 10.00 H new ATOM 0 HG3 GLU A 3 -6.778 13.145 3.755 1.00 10.00 H new ATOM 48 N LYS A 4 -7.001 9.242 1.559 1.00 10.00 N ATOM 49 CA LYS A 4 -7.065 8.082 0.690 1.00 10.00 C ATOM 50 C LYS A 4 -6.170 8.248 -0.538 1.00 10.00 C ATOM 51 O LYS A 4 -6.412 9.099 -1.389 1.00 10.00 O ATOM 52 CB LYS A 4 -8.536 7.801 0.360 1.00 10.00 C ATOM 53 CG LYS A 4 -8.831 6.294 0.329 1.00 10.00 C ATOM 54 CD LYS A 4 -10.288 6.009 0.727 1.00 10.00 C ATOM 55 CE LYS A 4 -11.044 5.205 -0.336 1.00 10.00 C ATOM 56 NZ LYS A 4 -12.377 4.799 0.153 1.00 10.00 N ATOM 0 H LYS A 4 -7.543 10.034 1.214 1.00 10.00 H new ATOM 0 HA LYS A 4 -6.666 7.204 1.198 1.00 10.00 H new ATOM 0 HB2 LYS A 4 -9.174 8.282 1.101 1.00 10.00 H new ATOM 0 HB3 LYS A 4 -8.783 8.241 -0.606 1.00 10.00 H new ATOM 0 HG2 LYS A 4 -8.640 5.903 -0.670 1.00 10.00 H new ATOM 0 HG3 LYS A 4 -8.156 5.774 1.009 1.00 10.00 H new ATOM 0 HD2 LYS A 4 -10.303 5.462 1.669 1.00 10.00 H new ATOM 0 HD3 LYS A 4 -10.805 6.953 0.899 1.00 10.00 H new ATOM 0 HE2 LYS A 4 -11.152 5.803 -1.241 1.00 10.00 H new ATOM 0 HE3 LYS A 4 -10.467 4.320 -0.606 1.00 10.00 H new ATOM 0 HZ1 LYS A 4 -12.867 4.256 -0.586 1.00 10.00 H new ATOM 0 HZ2 LYS A 4 -12.270 4.209 1.003 1.00 10.00 H new ATOM 0 HZ3 LYS A 4 -12.933 5.646 0.387 1.00 10.00 H new ATOM 70 N ALA A 5 -5.133 7.415 -0.601 1.00 10.00 N ATOM 71 CA ALA A 5 -4.043 7.441 -1.554 1.00 10.00 C ATOM 72 C ALA A 5 -4.086 6.169 -2.403 1.00 10.00 C ATOM 73 O ALA A 5 -4.507 5.118 -1.911 1.00 10.00 O ATOM 74 CB ALA A 5 -2.739 7.517 -0.764 1.00 10.00 C ATOM 0 H ALA A 5 -5.032 6.650 0.066 1.00 10.00 H new ATOM 0 HA ALA A 5 -4.122 8.300 -2.221 1.00 10.00 H new ATOM 0 HB1 ALA A 5 -1.896 7.538 -1.455 1.00 10.00 H new ATOM 0 HB2 ALA A 5 -2.734 8.422 -0.157 1.00 10.00 H new ATOM 0 HB3 ALA A 5 -2.655 6.645 -0.116 1.00 10.00 H new ATOM 80 N GLU A 6 -3.622 6.261 -3.655 1.00 10.00 N ATOM 81 CA GLU A 6 -3.471 5.137 -4.560 1.00 10.00 C ATOM 82 C GLU A 6 -2.032 5.083 -5.040 1.00 10.00 C ATOM 83 O GLU A 6 -1.392 6.129 -5.189 1.00 10.00 O ATOM 84 CB GLU A 6 -4.395 5.275 -5.767 1.00 10.00 C ATOM 85 CG GLU A 6 -5.792 4.749 -5.447 1.00 10.00 C ATOM 86 CD GLU A 6 -6.571 4.379 -6.709 1.00 10.00 C ATOM 87 OE1 GLU A 6 -6.024 3.545 -7.464 1.00 10.00 O ATOM 88 OE2 GLU A 6 -7.698 4.896 -6.882 1.00 10.00 O ATOM 0 H GLU A 6 -3.336 7.148 -4.069 1.00 10.00 H new ATOM 0 HA GLU A 6 -3.734 4.223 -4.027 1.00 10.00 H new ATOM 0 HB2 GLU A 6 -4.456 6.322 -6.066 1.00 10.00 H new ATOM 0 HB3 GLU A 6 -3.980 4.726 -6.612 1.00 10.00 H new ATOM 0 HG2 GLU A 6 -5.710 3.874 -4.802 1.00 10.00 H new ATOM 0 HG3 GLU A 6 -6.344 5.505 -4.889 1.00 10.00 H new ATOM 95 N PHE A 7 -1.556 3.858 -5.269 1.00 10.00 N ATOM 96 CA PHE A 7 -0.149 3.557 -5.492 1.00 10.00 C ATOM 97 C PHE A 7 0.005 2.493 -6.586 1.00 10.00 C ATOM 98 O PHE A 7 -0.744 1.513 -6.595 1.00 10.00 O ATOM 99 CB PHE A 7 0.513 3.094 -4.179 1.00 10.00 C ATOM 100 CG PHE A 7 0.113 3.817 -2.909 1.00 10.00 C ATOM 101 CD1 PHE A 7 -1.129 3.530 -2.322 1.00 10.00 C ATOM 102 CD2 PHE A 7 1.016 4.663 -2.240 1.00 10.00 C ATOM 103 CE1 PHE A 7 -1.507 4.147 -1.123 1.00 10.00 C ATOM 104 CE2 PHE A 7 0.642 5.265 -1.024 1.00 10.00 C ATOM 105 CZ PHE A 7 -0.610 4.991 -0.455 1.00 10.00 C ATOM 0 H PHE A 7 -2.154 3.033 -5.304 1.00 10.00 H new ATOM 0 HA PHE A 7 0.354 4.464 -5.828 1.00 10.00 H new ATOM 0 HB2 PHE A 7 0.296 2.034 -4.047 1.00 10.00 H new ATOM 0 HB3 PHE A 7 1.593 3.186 -4.294 1.00 10.00 H new ATOM 0 HD1 PHE A 7 -1.798 2.828 -2.798 1.00 10.00 H new ATOM 0 HD2 PHE A 7 1.994 4.850 -2.658 1.00 10.00 H new ATOM 0 HE1 PHE A 7 -2.491 3.972 -0.713 1.00 10.00 H new ATOM 0 HE2 PHE A 7 1.322 5.941 -0.527 1.00 10.00 H new ATOM 0 HZ PHE A 7 -0.882 5.429 0.494 1.00 10.00 H new ATOM 115 N ASP A 8 0.977 2.684 -7.486 1.00 10.00 N ATOM 116 CA ASP A 8 1.243 1.850 -8.647 1.00 10.00 C ATOM 117 C ASP A 8 2.251 0.763 -8.272 1.00 10.00 C ATOM 118 O ASP A 8 3.250 1.063 -7.612 1.00 10.00 O ATOM 119 CB ASP A 8 1.831 2.738 -9.753 1.00 10.00 C ATOM 120 CG ASP A 8 0.789 3.218 -10.746 1.00 10.00 C ATOM 121 OD1 ASP A 8 0.242 2.382 -11.490 1.00 10.00 O ATOM 122 OD2 ASP A 8 0.556 4.446 -10.781 1.00 10.00 O ATOM 0 H ASP A 8 1.628 3.466 -7.414 1.00 10.00 H new ATOM 0 HA ASP A 8 0.323 1.378 -8.993 1.00 10.00 H new ATOM 0 HB2 ASP A 8 2.316 3.602 -9.298 1.00 10.00 H new ATOM 0 HB3 ASP A 8 2.603 2.182 -10.285 1.00 10.00 H new ATOM 127 N ILE A 9 1.975 -0.487 -8.663 1.00 10.00 N ATOM 128 CA ILE A 9 2.736 -1.676 -8.303 1.00 10.00 C ATOM 129 C ILE A 9 3.424 -2.266 -9.537 1.00 10.00 C ATOM 130 O ILE A 9 2.770 -2.454 -10.559 1.00 10.00 O ATOM 131 CB ILE A 9 1.774 -2.731 -7.713 1.00 10.00 C ATOM 132 CG1 ILE A 9 0.586 -2.165 -6.923 1.00 10.00 C ATOM 133 CG2 ILE A 9 2.552 -3.697 -6.822 1.00 10.00 C ATOM 134 CD1 ILE A 9 1.067 -1.282 -5.788 1.00 10.00 C ATOM 0 H ILE A 9 1.180 -0.700 -9.265 1.00 10.00 H new ATOM 0 HA ILE A 9 3.495 -1.401 -7.571 1.00 10.00 H new ATOM 0 HB ILE A 9 1.342 -3.236 -8.577 1.00 10.00 H new ATOM 0 HG12 ILE A 9 -0.059 -1.591 -7.588 1.00 10.00 H new ATOM 0 HG13 ILE A 9 -0.014 -2.983 -6.524 1.00 10.00 H new ATOM 0 HG21 ILE A 9 1.870 -4.439 -6.408 1.00 10.00 H new ATOM 0 HG22 ILE A 9 3.319 -4.198 -7.412 1.00 10.00 H new ATOM 0 HG23 ILE A 9 3.023 -3.144 -6.009 1.00 10.00 H new ATOM 0 HD11 ILE A 9 0.208 -0.892 -5.242 1.00 10.00 H new ATOM 0 HD12 ILE A 9 1.692 -1.866 -5.112 1.00 10.00 H new ATOM 0 HD13 ILE A 9 1.647 -0.453 -6.193 1.00 10.00 H new ATOM 146 N GLU A 10 4.707 -2.629 -9.426 1.00 10.00 N ATOM 147 CA GLU A 10 5.434 -3.364 -10.443 1.00 10.00 C ATOM 148 C GLU A 10 6.067 -4.599 -9.796 1.00 10.00 C ATOM 149 O GLU A 10 7.088 -4.471 -9.120 1.00 10.00 O ATOM 150 CB GLU A 10 6.510 -2.453 -11.039 1.00 10.00 C ATOM 151 CG GLU A 10 5.931 -1.402 -11.994 1.00 10.00 C ATOM 152 CD GLU A 10 7.052 -0.646 -12.696 1.00 10.00 C ATOM 153 OE1 GLU A 10 7.516 -1.163 -13.736 1.00 10.00 O ATOM 154 OE2 GLU A 10 7.450 0.411 -12.161 1.00 10.00 O ATOM 0 H GLU A 10 5.272 -2.411 -8.606 1.00 10.00 H new ATOM 0 HA GLU A 10 4.765 -3.685 -11.242 1.00 10.00 H new ATOM 0 HB2 GLU A 10 7.043 -1.951 -10.232 1.00 10.00 H new ATOM 0 HB3 GLU A 10 7.240 -3.061 -11.573 1.00 10.00 H new ATOM 0 HG2 GLU A 10 5.292 -1.886 -12.733 1.00 10.00 H new ATOM 0 HG3 GLU A 10 5.305 -0.703 -11.439 1.00 10.00 H new ATOM 251 N ASN A 19 -2.273 -9.841 -0.853 1.00 10.00 N ATOM 252 CA ASN A 19 -2.747 -10.053 0.504 1.00 10.00 C ATOM 253 C ASN A 19 -1.715 -9.622 1.560 1.00 10.00 C ATOM 254 O ASN A 19 -2.049 -9.003 2.568 1.00 10.00 O ATOM 255 CB ASN A 19 -3.142 -11.520 0.666 1.00 10.00 C ATOM 256 CG ASN A 19 -3.519 -11.854 2.097 1.00 10.00 C ATOM 257 OD1 ASN A 19 -3.166 -12.910 2.611 1.00 10.00 O ATOM 258 ND2 ASN A 19 -4.228 -10.961 2.765 1.00 10.00 N ATOM 0 HA ASN A 19 -3.620 -9.422 0.671 1.00 10.00 H new ATOM 0 HB2 ASN A 19 -3.982 -11.744 0.008 1.00 10.00 H new ATOM 0 HB3 ASN A 19 -2.314 -12.155 0.352 1.00 10.00 H new ATOM 0 HD21 ASN A 19 -4.495 -11.142 3.733 1.00 10.00 H new ATOM 0 HD22 ASN A 19 -4.508 -10.091 2.313 1.00 10.00 H new ATOM 265 N ARG A 20 -0.441 -9.942 1.337 1.00 10.00 N ATOM 266 CA ARG A 20 0.650 -9.597 2.225 1.00 10.00 C ATOM 267 C ARG A 20 0.662 -8.087 2.430 1.00 10.00 C ATOM 268 O ARG A 20 0.789 -7.636 3.569 1.00 10.00 O ATOM 269 CB ARG A 20 1.992 -10.067 1.638 1.00 10.00 C ATOM 270 CG ARG A 20 2.823 -10.925 2.603 1.00 10.00 C ATOM 271 CD ARG A 20 2.710 -12.431 2.308 1.00 10.00 C ATOM 272 NE ARG A 20 3.983 -13.126 2.575 1.00 10.00 N ATOM 273 CZ ARG A 20 5.099 -12.998 1.832 1.00 10.00 C ATOM 274 NH1 ARG A 20 5.093 -12.208 0.752 1.00 10.00 N ATOM 275 NH2 ARG A 20 6.216 -13.647 2.177 1.00 10.00 N ATOM 0 H ARG A 20 -0.140 -10.461 0.512 1.00 10.00 H new ATOM 0 HA ARG A 20 0.508 -10.096 3.184 1.00 10.00 H new ATOM 0 HB2 ARG A 20 1.801 -10.639 0.730 1.00 10.00 H new ATOM 0 HB3 ARG A 20 2.576 -9.194 1.347 1.00 10.00 H new ATOM 0 HG2 ARG A 20 3.869 -10.624 2.541 1.00 10.00 H new ATOM 0 HG3 ARG A 20 2.497 -10.734 3.625 1.00 10.00 H new ATOM 0 HD2 ARG A 20 1.920 -12.866 2.921 1.00 10.00 H new ATOM 0 HD3 ARG A 20 2.424 -12.579 1.267 1.00 10.00 H new ATOM 0 HE ARG A 20 4.021 -13.749 3.381 1.00 10.00 H new ATOM 0 HH11 ARG A 20 4.245 -11.704 0.493 1.00 10.00 H new ATOM 0 HH12 ARG A 20 5.937 -12.109 0.188 1.00 10.00 H new ATOM 0 HH21 ARG A 20 6.225 -14.242 3.006 1.00 10.00 H new ATOM 0 HH22 ARG A 20 7.059 -13.547 1.612 1.00 10.00 H new ATOM 289 N ILE A 21 0.530 -7.323 1.334 1.00 10.00 N ATOM 290 CA ILE A 21 0.431 -5.867 1.405 1.00 10.00 C ATOM 291 C ILE A 21 -0.507 -5.451 2.524 1.00 10.00 C ATOM 292 O ILE A 21 -0.094 -4.668 3.367 1.00 10.00 O ATOM 293 CB ILE A 21 -0.012 -5.185 0.100 1.00 10.00 C ATOM 294 CG1 ILE A 21 0.627 -5.867 -1.099 1.00 10.00 C ATOM 295 CG2 ILE A 21 0.346 -3.698 0.191 1.00 10.00 C ATOM 296 CD1 ILE A 21 0.486 -5.137 -2.436 1.00 10.00 C ATOM 0 H ILE A 21 0.490 -7.698 0.386 1.00 10.00 H new ATOM 0 HA ILE A 21 1.449 -5.528 1.600 1.00 10.00 H new ATOM 0 HB ILE A 21 -1.090 -5.275 -0.037 1.00 10.00 H new ATOM 0 HG12 ILE A 21 1.688 -6.004 -0.892 1.00 10.00 H new ATOM 0 HG13 ILE A 21 0.192 -6.861 -1.202 1.00 10.00 H new ATOM 0 HG21 ILE A 21 0.040 -3.193 -0.726 1.00 10.00 H new ATOM 0 HG22 ILE A 21 -0.170 -3.251 1.041 1.00 10.00 H new ATOM 0 HG23 ILE A 21 1.423 -3.590 0.323 1.00 10.00 H new ATOM 0 HD11 ILE A 21 0.978 -5.714 -3.219 1.00 10.00 H new ATOM 0 HD12 ILE A 21 -0.571 -5.023 -2.679 1.00 10.00 H new ATOM 0 HD13 ILE A 21 0.949 -4.153 -2.364 1.00 10.00 H new ATOM 308 N GLU A 22 -1.731 -5.983 2.561 1.00 10.00 N ATOM 309 CA GLU A 22 -2.718 -5.600 3.561 1.00 10.00 C ATOM 310 C GLU A 22 -2.107 -5.614 4.963 1.00 10.00 C ATOM 311 O GLU A 22 -2.234 -4.648 5.705 1.00 10.00 O ATOM 312 CB GLU A 22 -3.937 -6.525 3.500 1.00 10.00 C ATOM 313 CG GLU A 22 -4.604 -6.553 2.122 1.00 10.00 C ATOM 314 CD GLU A 22 -5.769 -7.529 2.144 1.00 10.00 C ATOM 315 OE1 GLU A 22 -5.478 -8.738 2.015 1.00 10.00 O ATOM 316 OE2 GLU A 22 -6.907 -7.063 2.349 1.00 10.00 O ATOM 0 H GLU A 22 -2.060 -6.687 1.900 1.00 10.00 H new ATOM 0 HA GLU A 22 -3.044 -4.584 3.340 1.00 10.00 H new ATOM 0 HB2 GLU A 22 -3.632 -7.536 3.769 1.00 10.00 H new ATOM 0 HB3 GLU A 22 -4.667 -6.204 4.243 1.00 10.00 H new ATOM 0 HG2 GLU A 22 -4.956 -5.556 1.856 1.00 10.00 H new ATOM 0 HG3 GLU A 22 -3.881 -6.850 1.362 1.00 10.00 H new ATOM 323 N LYS A 23 -1.414 -6.694 5.332 1.00 10.00 N ATOM 324 CA LYS A 23 -0.795 -6.827 6.635 1.00 10.00 C ATOM 325 C LYS A 23 0.407 -5.881 6.759 1.00 10.00 C ATOM 326 O LYS A 23 0.545 -5.163 7.752 1.00 10.00 O ATOM 327 CB LYS A 23 -0.411 -8.296 6.855 1.00 10.00 C ATOM 328 CG LYS A 23 -1.577 -9.144 7.395 1.00 10.00 C ATOM 329 CD LYS A 23 -2.595 -9.557 6.314 1.00 10.00 C ATOM 330 CE LYS A 23 -4.050 -9.269 6.718 1.00 10.00 C ATOM 331 NZ LYS A 23 -4.486 -10.063 7.887 1.00 10.00 N ATOM 0 H LYS A 23 -1.271 -7.501 4.725 1.00 10.00 H new ATOM 0 HA LYS A 23 -1.497 -6.538 7.417 1.00 10.00 H new ATOM 0 HB2 LYS A 23 -0.065 -8.721 5.913 1.00 10.00 H new ATOM 0 HB3 LYS A 23 0.424 -8.348 7.554 1.00 10.00 H new ATOM 0 HG2 LYS A 23 -1.175 -10.042 7.865 1.00 10.00 H new ATOM 0 HG3 LYS A 23 -2.094 -8.582 8.173 1.00 10.00 H new ATOM 0 HD2 LYS A 23 -2.369 -9.027 5.389 1.00 10.00 H new ATOM 0 HD3 LYS A 23 -2.485 -10.621 6.107 1.00 10.00 H new ATOM 0 HE2 LYS A 23 -4.157 -8.208 6.944 1.00 10.00 H new ATOM 0 HE3 LYS A 23 -4.706 -9.482 5.874 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 -5.473 -9.830 8.116 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 -4.412 -11.076 7.665 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 -3.880 -9.842 8.703 1.00 10.00 H new ATOM 345 N ARG A 24 1.276 -5.877 5.746 1.00 10.00 N ATOM 346 CA ARG A 24 2.453 -5.015 5.683 1.00 10.00 C ATOM 347 C ARG A 24 2.096 -3.536 5.853 1.00 10.00 C ATOM 348 O ARG A 24 2.883 -2.776 6.403 1.00 10.00 O ATOM 349 CB ARG A 24 3.159 -5.244 4.344 1.00 10.00 C ATOM 350 CG ARG A 24 4.195 -6.371 4.399 1.00 10.00 C ATOM 351 CD ARG A 24 5.586 -5.904 4.854 1.00 10.00 C ATOM 352 NE ARG A 24 5.778 -6.050 6.303 1.00 10.00 N ATOM 353 CZ ARG A 24 6.788 -5.508 7.006 1.00 10.00 C ATOM 354 NH1 ARG A 24 7.632 -4.648 6.423 1.00 10.00 N ATOM 355 NH2 ARG A 24 6.953 -5.850 8.288 1.00 10.00 N ATOM 0 H ARG A 24 1.178 -6.485 4.933 1.00 10.00 H new ATOM 0 HA ARG A 24 3.116 -5.274 6.509 1.00 10.00 H new ATOM 0 HB2 ARG A 24 2.415 -5.479 3.583 1.00 10.00 H new ATOM 0 HB3 ARG A 24 3.650 -4.321 4.036 1.00 10.00 H new ATOM 0 HG2 ARG A 24 3.841 -7.146 5.078 1.00 10.00 H new ATOM 0 HG3 ARG A 24 4.278 -6.826 3.412 1.00 10.00 H new ATOM 0 HD2 ARG A 24 6.349 -6.479 4.329 1.00 10.00 H new ATOM 0 HD3 ARG A 24 5.725 -4.860 4.575 1.00 10.00 H new ATOM 0 HE ARG A 24 5.093 -6.605 6.815 1.00 10.00 H new ATOM 0 HH11 ARG A 24 7.511 -4.401 5.441 1.00 10.00 H new ATOM 0 HH12 ARG A 24 8.396 -4.240 6.961 1.00 10.00 H new ATOM 0 HH21 ARG A 24 6.316 -6.516 8.724 1.00 10.00 H new ATOM 0 HH22 ARG A 24 7.716 -5.444 8.830 1.00 10.00 H new ATOM 369 N LEU A 25 0.929 -3.130 5.360 1.00 10.00 N ATOM 370 CA LEU A 25 0.391 -1.790 5.462 1.00 10.00 C ATOM 371 C LEU A 25 -0.434 -1.616 6.737 1.00 10.00 C ATOM 372 O LEU A 25 -0.401 -0.552 7.341 1.00 10.00 O ATOM 373 CB LEU A 25 -0.402 -1.480 4.183 1.00 10.00 C ATOM 374 CG LEU A 25 0.333 -0.409 3.371 1.00 10.00 C ATOM 375 CD1 LEU A 25 0.012 -0.513 1.877 1.00 10.00 C ATOM 376 CD2 LEU A 25 -0.072 0.953 3.952 1.00 10.00 C ATOM 0 H LEU A 25 0.308 -3.763 4.855 1.00 10.00 H new ATOM 0 HA LEU A 25 1.202 -1.067 5.544 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -0.520 -2.385 3.588 1.00 10.00 H new ATOM 0 HB3 LEU A 25 -1.403 -1.134 4.439 1.00 10.00 H new ATOM 0 HG LEU A 25 1.412 -0.545 3.447 1.00 10.00 H new ATOM 0 HD11 LEU A 25 0.552 0.263 1.334 1.00 10.00 H new ATOM 0 HD12 LEU A 25 0.315 -1.492 1.507 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -1.060 -0.384 1.725 1.00 10.00 H new ATOM 0 HD21 LEU A 25 0.431 1.748 3.401 1.00 10.00 H new ATOM 0 HD22 LEU A 25 -1.151 1.079 3.866 1.00 10.00 H new ATOM 0 HD23 LEU A 25 0.217 1.001 5.002 1.00 10.00 H new ATOM 388 N ASN A 26 -1.129 -2.658 7.198 1.00 10.00 N ATOM 389 CA ASN A 26 -1.850 -2.628 8.468 1.00 10.00 C ATOM 390 C ASN A 26 -0.881 -2.360 9.621 1.00 10.00 C ATOM 391 O ASN A 26 -1.268 -1.825 10.653 1.00 10.00 O ATOM 392 CB ASN A 26 -2.621 -3.932 8.687 1.00 10.00 C ATOM 393 CG ASN A 26 -3.454 -3.897 9.964 1.00 10.00 C ATOM 394 OD1 ASN A 26 -4.595 -3.453 9.952 1.00 10.00 O ATOM 395 ND2 ASN A 26 -2.916 -4.406 11.069 1.00 10.00 N ATOM 0 H ASN A 26 -1.207 -3.545 6.700 1.00 10.00 H new ATOM 0 HA ASN A 26 -2.576 -1.816 8.436 1.00 10.00 H new ATOM 0 HB2 ASN A 26 -3.274 -4.115 7.833 1.00 10.00 H new ATOM 0 HB3 ASN A 26 -1.919 -4.764 8.735 1.00 10.00 H new ATOM 0 HD21 ASN A 26 -3.456 -4.433 11.934 1.00 10.00 H new ATOM 0 HD22 ASN A 26 -1.963 -4.769 11.052 1.00 10.00 H new ATOM 402 N LYS A 27 0.386 -2.744 9.446 1.00 10.00 N ATOM 403 CA LYS A 27 1.460 -2.349 10.343 1.00 10.00 C ATOM 404 C LYS A 27 1.564 -0.836 10.551 1.00 10.00 C ATOM 405 O LYS A 27 1.968 -0.424 11.634 1.00 10.00 O ATOM 406 CB LYS A 27 2.798 -2.880 9.819 1.00 10.00 C ATOM 407 CG LYS A 27 3.065 -4.345 10.173 1.00 10.00 C ATOM 408 CD LYS A 27 3.167 -4.507 11.698 1.00 10.00 C ATOM 409 CE LYS A 27 1.970 -5.308 12.233 1.00 10.00 C ATOM 410 NZ LYS A 27 1.855 -5.194 13.704 1.00 10.00 N ATOM 0 H LYS A 27 0.690 -3.339 8.675 1.00 10.00 H new ATOM 0 HA LYS A 27 1.221 -2.785 11.313 1.00 10.00 H new ATOM 0 HB2 LYS A 27 2.823 -2.768 8.735 1.00 10.00 H new ATOM 0 HB3 LYS A 27 3.604 -2.266 10.221 1.00 10.00 H new ATOM 0 HG2 LYS A 27 2.263 -4.973 9.785 1.00 10.00 H new ATOM 0 HG3 LYS A 27 3.989 -4.679 9.701 1.00 10.00 H new ATOM 0 HD2 LYS A 27 4.097 -5.015 11.955 1.00 10.00 H new ATOM 0 HD3 LYS A 27 3.198 -3.526 12.173 1.00 10.00 H new ATOM 0 HE2 LYS A 27 1.053 -4.949 11.766 1.00 10.00 H new ATOM 0 HE3 LYS A 27 2.079 -6.356 11.956 1.00 10.00 H new ATOM 0 HZ1 LYS A 27 1.037 -5.746 14.032 1.00 10.00 H new ATOM 0 HZ2 LYS A 27 2.721 -5.560 14.149 1.00 10.00 H new ATOM 0 HZ3 LYS A 27 1.726 -4.196 13.966 1.00 10.00 H new ATOM 424 N ILE A 28 1.270 -0.019 9.537 1.00 10.00 N ATOM 425 CA ILE A 28 1.297 1.425 9.696 1.00 10.00 C ATOM 426 C ILE A 28 0.366 1.830 10.838 1.00 10.00 C ATOM 427 O ILE A 28 -0.800 1.446 10.860 1.00 10.00 O ATOM 428 CB ILE A 28 0.916 2.120 8.376 1.00 10.00 C ATOM 429 CG1 ILE A 28 1.883 1.789 7.226 1.00 10.00 C ATOM 430 CG2 ILE A 28 0.831 3.634 8.582 1.00 10.00 C ATOM 431 CD1 ILE A 28 3.358 1.803 7.617 1.00 10.00 C ATOM 0 H ILE A 28 1.012 -0.337 8.603 1.00 10.00 H new ATOM 0 HA ILE A 28 2.308 1.745 9.949 1.00 10.00 H new ATOM 0 HB ILE A 28 -0.061 1.735 8.085 1.00 10.00 H new ATOM 0 HG12 ILE A 28 1.634 0.804 6.831 1.00 10.00 H new ATOM 0 HG13 ILE A 28 1.727 2.505 6.419 1.00 10.00 H new ATOM 0 HG21 ILE A 28 0.561 4.115 7.642 1.00 10.00 H new ATOM 0 HG22 ILE A 28 0.074 3.857 9.334 1.00 10.00 H new ATOM 0 HG23 ILE A 28 1.797 4.010 8.917 1.00 10.00 H new ATOM 0 HD11 ILE A 28 3.967 1.559 6.747 1.00 10.00 H new ATOM 0 HD12 ILE A 28 3.628 2.794 7.983 1.00 10.00 H new ATOM 0 HD13 ILE A 28 3.534 1.066 8.401 1.00 10.00 H new ATOM 443 N GLU A 29 0.889 2.612 11.784 1.00 10.00 N ATOM 444 CA GLU A 29 0.132 2.991 12.965 1.00 10.00 C ATOM 445 C GLU A 29 -1.091 3.836 12.572 1.00 10.00 C ATOM 446 O GLU A 29 -2.224 3.472 12.878 1.00 10.00 O ATOM 447 CB GLU A 29 1.051 3.696 13.979 1.00 10.00 C ATOM 448 CG GLU A 29 0.928 3.104 15.390 1.00 10.00 C ATOM 449 CD GLU A 29 1.663 1.775 15.525 1.00 10.00 C ATOM 450 OE1 GLU A 29 2.907 1.806 15.408 1.00 10.00 O ATOM 451 OE2 GLU A 29 0.974 0.757 15.752 1.00 10.00 O ATOM 0 H GLU A 29 1.835 2.992 11.750 1.00 10.00 H new ATOM 0 HA GLU A 29 -0.254 2.097 13.455 1.00 10.00 H new ATOM 0 HB2 GLU A 29 2.085 3.617 13.644 1.00 10.00 H new ATOM 0 HB3 GLU A 29 0.806 4.758 14.011 1.00 10.00 H new ATOM 0 HG2 GLU A 29 1.327 3.813 16.115 1.00 10.00 H new ATOM 0 HG3 GLU A 29 -0.125 2.960 15.631 1.00 10.00 H new ATOM 458 N GLY A 30 -0.900 4.964 11.872 1.00 10.00 N ATOM 459 CA GLY A 30 -1.992 5.884 11.597 1.00 10.00 C ATOM 460 C GLY A 30 -2.709 5.507 10.307 1.00 10.00 C ATOM 461 O GLY A 30 -2.911 6.351 9.435 1.00 10.00 O ATOM 0 H GLY A 30 0.001 5.253 11.491 1.00 10.00 H new ATOM 0 HA2 GLY A 30 -2.699 5.874 12.427 1.00 10.00 H new ATOM 0 HA3 GLY A 30 -1.606 6.900 11.519 1.00 10.00 H new ATOM 465 N VAL A 31 -3.078 4.233 10.180 1.00 10.00 N ATOM 466 CA VAL A 31 -3.735 3.685 9.008 1.00 10.00 C ATOM 467 C VAL A 31 -5.207 3.456 9.348 1.00 10.00 C ATOM 468 O VAL A 31 -5.535 3.140 10.490 1.00 10.00 O ATOM 469 CB VAL A 31 -2.978 2.420 8.572 1.00 10.00 C ATOM 470 CG1 VAL A 31 -3.591 1.116 9.079 1.00 10.00 C ATOM 471 CG2 VAL A 31 -2.764 2.387 7.058 1.00 10.00 C ATOM 0 H VAL A 31 -2.921 3.540 10.912 1.00 10.00 H new ATOM 0 HA VAL A 31 -3.714 4.364 8.156 1.00 10.00 H new ATOM 0 HB VAL A 31 -2.004 2.488 9.056 1.00 10.00 H new ATOM 0 HG11 VAL A 31 -2.996 0.273 8.727 1.00 10.00 H new ATOM 0 HG12 VAL A 31 -3.605 1.120 10.169 1.00 10.00 H new ATOM 0 HG13 VAL A 31 -4.610 1.023 8.704 1.00 10.00 H new ATOM 0 HG21 VAL A 31 -2.226 1.479 6.786 1.00 10.00 H new ATOM 0 HG22 VAL A 31 -3.730 2.401 6.554 1.00 10.00 H new ATOM 0 HG23 VAL A 31 -2.183 3.258 6.754 1.00 10.00 H new ATOM 481 N ALA A 32 -6.094 3.635 8.367 1.00 10.00 N ATOM 482 CA ALA A 32 -7.518 3.372 8.521 1.00 10.00 C ATOM 483 C ALA A 32 -7.834 2.038 7.859 1.00 10.00 C ATOM 484 O ALA A 32 -8.455 1.169 8.465 1.00 10.00 O ATOM 485 CB ALA A 32 -8.351 4.495 7.893 1.00 10.00 C ATOM 0 H ALA A 32 -5.838 3.969 7.438 1.00 10.00 H new ATOM 0 HA ALA A 32 -7.771 3.331 9.580 1.00 10.00 H new ATOM 0 HB1 ALA A 32 -9.411 4.276 8.020 1.00 10.00 H new ATOM 0 HB2 ALA A 32 -8.114 5.440 8.381 1.00 10.00 H new ATOM 0 HB3 ALA A 32 -8.121 4.568 6.830 1.00 10.00 H new ATOM 491 N ASN A 33 -7.423 1.890 6.597 1.00 10.00 N ATOM 492 CA ASN A 33 -7.742 0.720 5.796 1.00 10.00 C ATOM 493 C ASN A 33 -6.749 0.640 4.642 1.00 10.00 C ATOM 494 O ASN A 33 -6.240 1.665 4.195 1.00 10.00 O ATOM 495 CB ASN A 33 -9.207 0.801 5.335 1.00 10.00 C ATOM 496 CG ASN A 33 -9.511 1.977 4.440 1.00 10.00 C ATOM 497 OD1 ASN A 33 -9.001 2.093 3.330 1.00 10.00 O ATOM 498 ND2 ASN A 33 -10.408 2.816 4.916 1.00 10.00 N ATOM 0 H ASN A 33 -6.858 2.584 6.107 1.00 10.00 H new ATOM 0 HA ASN A 33 -7.649 -0.200 6.373 1.00 10.00 H new ATOM 0 HB2 ASN A 33 -9.461 -0.118 4.807 1.00 10.00 H new ATOM 0 HB3 ASN A 33 -9.850 0.852 6.214 1.00 10.00 H new ATOM 0 HD21 ASN A 33 -10.712 3.611 4.354 1.00 10.00 H new ATOM 0 HD22 ASN A 33 -10.799 2.671 5.847 1.00 10.00 H new ATOM 505 N ALA A 34 -6.446 -0.580 4.193 1.00 10.00 N ATOM 506 CA ALA A 34 -5.548 -0.842 3.072 1.00 10.00 C ATOM 507 C ALA A 34 -6.115 -1.919 2.135 1.00 10.00 C ATOM 508 O ALA A 34 -5.476 -2.950 1.937 1.00 10.00 O ATOM 509 CB ALA A 34 -4.168 -1.226 3.619 1.00 10.00 C ATOM 0 H ALA A 34 -6.827 -1.430 4.609 1.00 10.00 H new ATOM 0 HA ALA A 34 -5.450 0.061 2.470 1.00 10.00 H new ATOM 0 HB1 ALA A 34 -3.490 -1.424 2.789 1.00 10.00 H new ATOM 0 HB2 ALA A 34 -3.775 -0.407 4.222 1.00 10.00 H new ATOM 0 HB3 ALA A 34 -4.257 -2.120 4.236 1.00 10.00 H new ATOM 515 N PRO A 35 -7.306 -1.713 1.549 1.00 10.00 N ATOM 516 CA PRO A 35 -7.933 -2.683 0.665 1.00 10.00 C ATOM 517 C PRO A 35 -7.258 -2.638 -0.710 1.00 10.00 C ATOM 518 O PRO A 35 -7.805 -2.090 -1.665 1.00 10.00 O ATOM 519 CB PRO A 35 -9.407 -2.266 0.621 1.00 10.00 C ATOM 520 CG PRO A 35 -9.331 -0.744 0.748 1.00 10.00 C ATOM 521 CD PRO A 35 -8.163 -0.549 1.714 1.00 10.00 C ATOM 0 HA PRO A 35 -7.837 -3.714 1.004 1.00 10.00 H new ATOM 0 HB2 PRO A 35 -9.886 -2.571 -0.309 1.00 10.00 H new ATOM 0 HB3 PRO A 35 -9.978 -2.712 1.435 1.00 10.00 H new ATOM 0 HG2 PRO A 35 -9.146 -0.266 -0.214 1.00 10.00 H new ATOM 0 HG3 PRO A 35 -10.257 -0.323 1.141 1.00 10.00 H new ATOM 0 HD2 PRO A 35 -7.621 0.369 1.490 1.00 10.00 H new ATOM 0 HD3 PRO A 35 -8.516 -0.468 2.742 1.00 10.00 H new ATOM 529 N VAL A 36 -6.051 -3.194 -0.808 1.00 10.00 N ATOM 530 CA VAL A 36 -5.286 -3.231 -2.041 1.00 10.00 C ATOM 531 C VAL A 36 -5.977 -4.090 -3.102 1.00 10.00 C ATOM 532 O VAL A 36 -6.763 -4.976 -2.766 1.00 10.00 O ATOM 533 CB VAL A 36 -3.879 -3.757 -1.736 1.00 10.00 C ATOM 534 CG1 VAL A 36 -3.301 -3.105 -0.469 1.00 10.00 C ATOM 535 CG2 VAL A 36 -3.854 -5.277 -1.555 1.00 10.00 C ATOM 0 H VAL A 36 -5.576 -3.635 -0.020 1.00 10.00 H new ATOM 0 HA VAL A 36 -5.216 -2.222 -2.448 1.00 10.00 H new ATOM 0 HB VAL A 36 -3.268 -3.495 -2.600 1.00 10.00 H new ATOM 0 HG11 VAL A 36 -2.303 -3.499 -0.280 1.00 10.00 H new ATOM 0 HG12 VAL A 36 -3.244 -2.025 -0.609 1.00 10.00 H new ATOM 0 HG13 VAL A 36 -3.946 -3.327 0.381 1.00 10.00 H new ATOM 0 HG21 VAL A 36 -2.836 -5.601 -1.341 1.00 10.00 H new ATOM 0 HG22 VAL A 36 -4.505 -5.556 -0.727 1.00 10.00 H new ATOM 0 HG23 VAL A 36 -4.203 -5.758 -2.469 1.00 10.00 H new ATOM 545 N ASN A 37 -5.652 -3.874 -4.383 1.00 10.00 N ATOM 546 CA ASN A 37 -6.316 -4.604 -5.457 1.00 10.00 C ATOM 547 C ASN A 37 -5.504 -5.820 -5.900 1.00 10.00 C ATOM 548 O ASN A 37 -4.377 -5.687 -6.371 1.00 10.00 O ATOM 549 CB ASN A 37 -6.583 -3.680 -6.641 1.00 10.00 C ATOM 550 CG ASN A 37 -7.448 -2.488 -6.244 1.00 10.00 C ATOM 551 OD1 ASN A 37 -8.550 -2.660 -5.734 1.00 10.00 O ATOM 552 ND2 ASN A 37 -6.960 -1.278 -6.478 1.00 10.00 N ATOM 0 H ASN A 37 -4.943 -3.209 -4.693 1.00 10.00 H new ATOM 0 HA ASN A 37 -7.268 -4.968 -5.070 1.00 10.00 H new ATOM 0 HB2 ASN A 37 -5.635 -3.323 -7.045 1.00 10.00 H new ATOM 0 HB3 ASN A 37 -7.077 -4.240 -7.435 1.00 10.00 H new ATOM 0 HD21 ASN A 37 -7.505 -0.452 -6.232 1.00 10.00 H new ATOM 0 HD22 ASN A 37 -6.039 -1.173 -6.904 1.00 10.00 H new ATOM 559 N PHE A 38 -6.105 -7.010 -5.813 1.00 10.00 N ATOM 560 CA PHE A 38 -5.505 -8.289 -6.189 1.00 10.00 C ATOM 561 C PHE A 38 -5.904 -8.692 -7.613 1.00 10.00 C ATOM 562 O PHE A 38 -6.330 -9.817 -7.850 1.00 10.00 O ATOM 563 CB PHE A 38 -5.883 -9.354 -5.143 1.00 10.00 C ATOM 564 CG PHE A 38 -7.261 -9.195 -4.524 1.00 10.00 C ATOM 565 CD1 PHE A 38 -8.417 -9.317 -5.318 1.00 10.00 C ATOM 566 CD2 PHE A 38 -7.378 -8.773 -3.184 1.00 10.00 C ATOM 567 CE1 PHE A 38 -9.678 -9.003 -4.782 1.00 10.00 C ATOM 568 CE2 PHE A 38 -8.642 -8.482 -2.643 1.00 10.00 C ATOM 569 CZ PHE A 38 -9.791 -8.588 -3.444 1.00 10.00 C ATOM 0 H PHE A 38 -7.059 -7.111 -5.465 1.00 10.00 H new ATOM 0 HA PHE A 38 -4.419 -8.195 -6.198 1.00 10.00 H new ATOM 0 HB2 PHE A 38 -5.824 -10.337 -5.611 1.00 10.00 H new ATOM 0 HB3 PHE A 38 -5.140 -9.336 -4.345 1.00 10.00 H new ATOM 0 HD1 PHE A 38 -8.335 -9.653 -6.341 1.00 10.00 H new ATOM 0 HD2 PHE A 38 -6.494 -8.673 -2.572 1.00 10.00 H new ATOM 0 HE1 PHE A 38 -10.561 -9.081 -5.399 1.00 10.00 H new ATOM 0 HE2 PHE A 38 -8.730 -8.177 -1.611 1.00 10.00 H new ATOM 0 HZ PHE A 38 -10.761 -8.351 -3.032 1.00 10.00 H new ATOM 579 N ALA A 39 -5.743 -7.773 -8.566 1.00 10.00 N ATOM 580 CA ALA A 39 -5.921 -8.031 -9.993 1.00 10.00 C ATOM 581 C ALA A 39 -5.537 -6.793 -10.797 1.00 10.00 C ATOM 582 O ALA A 39 -4.938 -6.898 -11.860 1.00 10.00 O ATOM 583 CB ALA A 39 -7.376 -8.395 -10.311 1.00 10.00 C ATOM 0 H ALA A 39 -5.480 -6.809 -8.362 1.00 10.00 H new ATOM 0 HA ALA A 39 -5.279 -8.869 -10.263 1.00 10.00 H new ATOM 0 HB1 ALA A 39 -7.479 -8.582 -11.380 1.00 10.00 H new ATOM 0 HB2 ALA A 39 -7.656 -9.291 -9.757 1.00 10.00 H new ATOM 0 HB3 ALA A 39 -8.029 -7.571 -10.022 1.00 10.00 H new ATOM 589 N LEU A 40 -5.928 -5.623 -10.286 1.00 10.00 N ATOM 590 CA LEU A 40 -5.892 -4.358 -11.009 1.00 10.00 C ATOM 591 C LEU A 40 -4.503 -3.721 -10.990 1.00 10.00 C ATOM 592 O LEU A 40 -4.266 -2.749 -11.699 1.00 10.00 O ATOM 593 CB LEU A 40 -6.903 -3.394 -10.382 1.00 10.00 C ATOM 594 CG LEU A 40 -8.267 -4.021 -10.050 1.00 10.00 C ATOM 595 CD1 LEU A 40 -9.170 -2.895 -9.555 1.00 10.00 C ATOM 596 CD2 LEU A 40 -8.877 -4.765 -11.238 1.00 10.00 C ATOM 0 H LEU A 40 -6.286 -5.531 -9.335 1.00 10.00 H new ATOM 0 HA LEU A 40 -6.146 -4.560 -12.050 1.00 10.00 H new ATOM 0 HB2 LEU A 40 -6.475 -2.984 -9.468 1.00 10.00 H new ATOM 0 HB3 LEU A 40 -7.059 -2.558 -11.064 1.00 10.00 H new ATOM 0 HG LEU A 40 -8.147 -4.782 -9.278 1.00 10.00 H new ATOM 0 HD11 LEU A 40 -10.152 -3.298 -9.307 1.00 10.00 H new ATOM 0 HD12 LEU A 40 -8.730 -2.440 -8.668 1.00 10.00 H new ATOM 0 HD13 LEU A 40 -9.274 -2.142 -10.336 1.00 10.00 H new ATOM 0 HD21 LEU A 40 -9.839 -5.188 -10.948 1.00 10.00 H new ATOM 0 HD22 LEU A 40 -9.021 -4.072 -12.067 1.00 10.00 H new ATOM 0 HD23 LEU A 40 -8.207 -5.567 -11.548 1.00 10.00 H new ATOM 608 N GLU A 41 -3.618 -4.259 -10.144 1.00 10.00 N ATOM 609 CA GLU A 41 -2.205 -3.904 -10.060 1.00 10.00 C ATOM 610 C GLU A 41 -2.027 -2.518 -9.441 1.00 10.00 C ATOM 611 O GLU A 41 -1.121 -1.769 -9.803 1.00 10.00 O ATOM 612 CB GLU A 41 -1.512 -4.044 -11.427 1.00 10.00 C ATOM 613 CG GLU A 41 -1.621 -5.477 -11.958 1.00 10.00 C ATOM 614 CD GLU A 41 -0.823 -5.659 -13.243 1.00 10.00 C ATOM 615 OE1 GLU A 41 -1.244 -5.069 -14.260 1.00 10.00 O ATOM 616 OE2 GLU A 41 0.195 -6.381 -13.184 1.00 10.00 O ATOM 0 H GLU A 41 -3.881 -4.982 -9.474 1.00 10.00 H new ATOM 0 HA GLU A 41 -1.710 -4.610 -9.393 1.00 10.00 H new ATOM 0 HB2 GLU A 41 -1.964 -3.354 -12.139 1.00 10.00 H new ATOM 0 HB3 GLU A 41 -0.462 -3.766 -11.336 1.00 10.00 H new ATOM 0 HG2 GLU A 41 -1.260 -6.175 -11.202 1.00 10.00 H new ATOM 0 HG3 GLU A 41 -2.668 -5.720 -12.141 1.00 10.00 H new ATOM 623 N THR A 42 -2.887 -2.202 -8.472 1.00 10.00 N ATOM 624 CA THR A 42 -2.926 -0.932 -7.777 1.00 10.00 C ATOM 625 C THR A 42 -3.171 -1.204 -6.293 1.00 10.00 C ATOM 626 O THR A 42 -4.065 -1.969 -5.927 1.00 10.00 O ATOM 627 CB THR A 42 -4.029 -0.059 -8.392 1.00 10.00 C ATOM 628 OG1 THR A 42 -5.212 -0.816 -8.561 1.00 10.00 O ATOM 629 CG2 THR A 42 -3.596 0.486 -9.757 1.00 10.00 C ATOM 0 H THR A 42 -3.599 -2.854 -8.143 1.00 10.00 H new ATOM 0 HA THR A 42 -1.983 -0.394 -7.877 1.00 10.00 H new ATOM 0 HB THR A 42 -4.212 0.774 -7.713 1.00 10.00 H new ATOM 0 HG1 THR A 42 -5.910 -0.250 -8.952 1.00 10.00 H new ATOM 0 HG21 THR A 42 -4.394 1.101 -10.173 1.00 10.00 H new ATOM 0 HG22 THR A 42 -2.696 1.090 -9.639 1.00 10.00 H new ATOM 0 HG23 THR A 42 -3.390 -0.345 -10.432 1.00 10.00 H new ATOM 637 N VAL A 43 -2.367 -0.595 -5.426 1.00 10.00 N ATOM 638 CA VAL A 43 -2.653 -0.560 -3.998 1.00 10.00 C ATOM 639 C VAL A 43 -3.453 0.709 -3.732 1.00 10.00 C ATOM 640 O VAL A 43 -3.274 1.719 -4.416 1.00 10.00 O ATOM 641 CB VAL A 43 -1.340 -0.613 -3.208 1.00 10.00 C ATOM 642 CG1 VAL A 43 -1.442 -0.169 -1.746 1.00 10.00 C ATOM 643 CG2 VAL A 43 -0.736 -2.018 -3.246 1.00 10.00 C ATOM 0 H VAL A 43 -1.506 -0.116 -5.692 1.00 10.00 H new ATOM 0 HA VAL A 43 -3.239 -1.420 -3.675 1.00 10.00 H new ATOM 0 HB VAL A 43 -0.698 0.109 -3.712 1.00 10.00 H new ATOM 0 HG11 VAL A 43 -0.462 -0.243 -1.274 1.00 10.00 H new ATOM 0 HG12 VAL A 43 -1.789 0.863 -1.703 1.00 10.00 H new ATOM 0 HG13 VAL A 43 -2.148 -0.811 -1.219 1.00 10.00 H new ATOM 0 HG21 VAL A 43 0.195 -2.029 -2.679 1.00 10.00 H new ATOM 0 HG22 VAL A 43 -1.437 -2.728 -2.807 1.00 10.00 H new ATOM 0 HG23 VAL A 43 -0.534 -2.299 -4.280 1.00 10.00 H new ATOM 653 N THR A 44 -4.324 0.647 -2.730 1.00 10.00 N ATOM 654 CA THR A 44 -5.191 1.716 -2.305 1.00 10.00 C ATOM 655 C THR A 44 -5.138 1.708 -0.781 1.00 10.00 C ATOM 656 O THR A 44 -5.379 0.656 -0.188 1.00 10.00 O ATOM 657 CB THR A 44 -6.597 1.401 -2.823 1.00 10.00 C ATOM 658 OG1 THR A 44 -6.587 1.235 -4.230 1.00 10.00 O ATOM 659 CG2 THR A 44 -7.556 2.513 -2.414 1.00 10.00 C ATOM 0 H THR A 44 -4.442 -0.198 -2.171 1.00 10.00 H new ATOM 0 HA THR A 44 -4.901 2.697 -2.682 1.00 10.00 H new ATOM 0 HB THR A 44 -6.936 0.464 -2.381 1.00 10.00 H new ATOM 0 HG1 THR A 44 -7.494 1.033 -4.542 1.00 10.00 H new ATOM 0 HG21 THR A 44 -8.556 2.286 -2.784 1.00 10.00 H new ATOM 0 HG22 THR A 44 -7.581 2.591 -1.327 1.00 10.00 H new ATOM 0 HG23 THR A 44 -7.218 3.459 -2.838 1.00 10.00 H new ATOM 667 N VAL A 45 -4.787 2.833 -0.150 1.00 10.00 N ATOM 668 CA VAL A 45 -4.725 2.920 1.306 1.00 10.00 C ATOM 669 C VAL A 45 -5.362 4.214 1.768 1.00 10.00 C ATOM 670 O VAL A 45 -5.116 5.265 1.186 1.00 10.00 O ATOM 671 CB VAL A 45 -3.280 2.844 1.816 1.00 10.00 C ATOM 672 CG1 VAL A 45 -3.202 2.862 3.348 1.00 10.00 C ATOM 673 CG2 VAL A 45 -2.606 1.574 1.309 1.00 10.00 C ATOM 0 H VAL A 45 -4.541 3.698 -0.631 1.00 10.00 H new ATOM 0 HA VAL A 45 -5.271 2.070 1.716 1.00 10.00 H new ATOM 0 HB VAL A 45 -2.767 3.727 1.434 1.00 10.00 H new ATOM 0 HG11 VAL A 45 -2.159 2.806 3.660 1.00 10.00 H new ATOM 0 HG12 VAL A 45 -3.644 3.784 3.724 1.00 10.00 H new ATOM 0 HG13 VAL A 45 -3.747 2.008 3.750 1.00 10.00 H new ATOM 0 HG21 VAL A 45 -1.581 1.533 1.679 1.00 10.00 H new ATOM 0 HG22 VAL A 45 -3.155 0.703 1.666 1.00 10.00 H new ATOM 0 HG23 VAL A 45 -2.599 1.576 0.219 1.00 10.00 H new ATOM 683 N GLU A 46 -6.134 4.126 2.848 1.00 10.00 N ATOM 684 CA GLU A 46 -6.578 5.257 3.623 1.00 10.00 C ATOM 685 C GLU A 46 -5.705 5.319 4.873 1.00 10.00 C ATOM 686 O GLU A 46 -5.765 4.412 5.708 1.00 10.00 O ATOM 687 CB GLU A 46 -8.053 5.059 3.945 1.00 10.00 C ATOM 688 CG GLU A 46 -8.760 6.392 4.177 1.00 10.00 C ATOM 689 CD GLU A 46 -10.126 6.142 4.782 1.00 10.00 C ATOM 690 OE1 GLU A 46 -10.879 5.357 4.158 1.00 10.00 O ATOM 691 OE2 GLU A 46 -10.352 6.703 5.877 1.00 10.00 O ATOM 0 H GLU A 46 -6.472 3.234 3.210 1.00 10.00 H new ATOM 0 HA GLU A 46 -6.482 6.203 3.090 1.00 10.00 H new ATOM 0 HB2 GLU A 46 -8.537 4.527 3.126 1.00 10.00 H new ATOM 0 HB3 GLU A 46 -8.152 4.434 4.833 1.00 10.00 H new ATOM 0 HG2 GLU A 46 -8.166 7.020 4.841 1.00 10.00 H new ATOM 0 HG3 GLU A 46 -8.861 6.931 3.235 1.00 10.00 H new ATOM 698 N TYR A 47 -4.871 6.356 4.989 1.00 10.00 N ATOM 699 CA TYR A 47 -3.992 6.552 6.132 1.00 10.00 C ATOM 700 C TYR A 47 -3.827 8.038 6.390 1.00 10.00 C ATOM 701 O TYR A 47 -4.183 8.856 5.549 1.00 10.00 O ATOM 702 CB TYR A 47 -2.628 5.883 5.912 1.00 10.00 C ATOM 703 CG TYR A 47 -1.658 6.650 5.030 1.00 10.00 C ATOM 704 CD1 TYR A 47 -1.836 6.713 3.635 1.00 10.00 C ATOM 705 CD2 TYR A 47 -0.643 7.412 5.636 1.00 10.00 C ATOM 706 CE1 TYR A 47 -1.057 7.597 2.867 1.00 10.00 C ATOM 707 CE2 TYR A 47 0.102 8.325 4.875 1.00 10.00 C ATOM 708 CZ TYR A 47 -0.120 8.434 3.496 1.00 10.00 C ATOM 709 OH TYR A 47 0.576 9.357 2.775 1.00 10.00 O ATOM 0 H TYR A 47 -4.791 7.087 4.282 1.00 10.00 H new ATOM 0 HA TYR A 47 -4.444 6.082 7.005 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -2.160 5.724 6.884 1.00 10.00 H new ATOM 0 HB3 TYR A 47 -2.792 4.899 5.472 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -2.570 6.083 3.155 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -0.437 7.294 6.690 1.00 10.00 H new ATOM 0 HE1 TYR A 47 -1.179 7.632 1.794 1.00 10.00 H new ATOM 0 HE2 TYR A 47 0.847 8.944 5.352 1.00 10.00 H new ATOM 0 HH TYR A 47 1.179 9.850 3.370 1.00 10.00 H new ATOM 719 N ASN A 48 -3.298 8.391 7.556 1.00 10.00 N ATOM 720 CA ASN A 48 -3.060 9.782 7.906 1.00 10.00 C ATOM 721 C ASN A 48 -1.613 10.174 7.593 1.00 10.00 C ATOM 722 O ASN A 48 -0.682 9.503 8.035 1.00 10.00 O ATOM 723 CB ASN A 48 -3.492 10.077 9.351 1.00 10.00 C ATOM 724 CG ASN A 48 -2.762 9.331 10.469 1.00 10.00 C ATOM 725 OD1 ASN A 48 -1.571 9.046 10.420 1.00 10.00 O ATOM 726 ND2 ASN A 48 -3.470 9.086 11.567 1.00 10.00 N ATOM 0 H ASN A 48 -3.025 7.725 8.279 1.00 10.00 H new ATOM 0 HA ASN A 48 -3.688 10.421 7.284 1.00 10.00 H new ATOM 0 HB2 ASN A 48 -3.374 11.146 9.526 1.00 10.00 H new ATOM 0 HB3 ASN A 48 -4.556 9.855 9.437 1.00 10.00 H new ATOM 0 HD21 ASN A 48 -3.023 8.658 12.377 1.00 10.00 H new ATOM 0 HD22 ASN A 48 -4.461 9.326 11.599 1.00 10.00 H new ATOM 733 N PRO A 49 -1.369 11.266 6.854 1.00 10.00 N ATOM 734 CA PRO A 49 -0.029 11.806 6.725 1.00 10.00 C ATOM 735 C PRO A 49 0.328 12.539 8.025 1.00 10.00 C ATOM 736 O PRO A 49 0.547 13.749 8.013 1.00 10.00 O ATOM 737 CB PRO A 49 -0.096 12.722 5.497 1.00 10.00 C ATOM 738 CG PRO A 49 -1.533 13.238 5.529 1.00 10.00 C ATOM 739 CD PRO A 49 -2.321 12.049 6.078 1.00 10.00 C ATOM 0 HA PRO A 49 0.752 11.059 6.581 1.00 10.00 H new ATOM 0 HB2 PRO A 49 0.626 13.536 5.561 1.00 10.00 H new ATOM 0 HB3 PRO A 49 0.117 12.179 4.576 1.00 10.00 H new ATOM 0 HG2 PRO A 49 -1.631 14.115 6.168 1.00 10.00 H new ATOM 0 HG3 PRO A 49 -1.879 13.526 4.536 1.00 10.00 H new ATOM 0 HD2 PRO A 49 -3.151 12.384 6.700 1.00 10.00 H new ATOM 0 HD3 PRO A 49 -2.748 11.456 5.269 1.00 10.00 H new ATOM 747 N LYS A 50 0.359 11.819 9.158 1.00 10.00 N ATOM 748 CA LYS A 50 0.737 12.400 10.441 1.00 10.00 C ATOM 749 C LYS A 50 1.576 11.413 11.244 1.00 10.00 C ATOM 750 O LYS A 50 2.599 11.799 11.803 1.00 10.00 O ATOM 751 CB LYS A 50 -0.494 12.974 11.170 1.00 10.00 C ATOM 752 CG LYS A 50 -1.327 12.039 12.052 1.00 10.00 C ATOM 753 CD LYS A 50 -0.880 11.936 13.517 1.00 10.00 C ATOM 754 CE LYS A 50 -1.901 11.071 14.273 1.00 10.00 C ATOM 755 NZ LYS A 50 -1.540 10.882 15.690 1.00 10.00 N ATOM 0 H LYS A 50 0.124 10.828 9.203 1.00 10.00 H new ATOM 0 HA LYS A 50 1.386 13.262 10.287 1.00 10.00 H new ATOM 0 HB2 LYS A 50 -0.154 13.801 11.793 1.00 10.00 H new ATOM 0 HB3 LYS A 50 -1.158 13.396 10.416 1.00 10.00 H new ATOM 0 HG2 LYS A 50 -2.363 12.376 12.030 1.00 10.00 H new ATOM 0 HG3 LYS A 50 -1.307 11.041 11.614 1.00 10.00 H new ATOM 0 HD2 LYS A 50 0.114 11.493 13.581 1.00 10.00 H new ATOM 0 HD3 LYS A 50 -0.816 12.928 13.965 1.00 10.00 H new ATOM 0 HE2 LYS A 50 -2.884 11.537 14.211 1.00 10.00 H new ATOM 0 HE3 LYS A 50 -1.978 10.098 13.788 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 -2.284 10.335 16.168 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 -0.638 10.368 15.753 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 -1.442 11.810 16.150 1.00 10.00 H new ATOM 769 N GLU A 51 1.161 10.141 11.283 1.00 10.00 N ATOM 770 CA GLU A 51 1.894 9.104 11.992 1.00 10.00 C ATOM 771 C GLU A 51 2.908 8.433 11.056 1.00 10.00 C ATOM 772 O GLU A 51 4.002 8.074 11.481 1.00 10.00 O ATOM 773 CB GLU A 51 0.873 8.106 12.558 1.00 10.00 C ATOM 774 CG GLU A 51 1.262 7.577 13.942 1.00 10.00 C ATOM 775 CD GLU A 51 1.208 8.652 15.016 1.00 10.00 C ATOM 776 OE1 GLU A 51 0.074 8.930 15.464 1.00 10.00 O ATOM 777 OE2 GLU A 51 2.266 9.217 15.354 1.00 10.00 O ATOM 0 H GLU A 51 0.312 9.811 10.825 1.00 10.00 H new ATOM 0 HA GLU A 51 2.468 9.527 12.816 1.00 10.00 H new ATOM 0 HB2 GLU A 51 -0.103 8.588 12.620 1.00 10.00 H new ATOM 0 HB3 GLU A 51 0.772 7.267 11.869 1.00 10.00 H new ATOM 0 HG2 GLU A 51 0.593 6.761 14.216 1.00 10.00 H new ATOM 0 HG3 GLU A 51 2.269 7.163 13.898 1.00 10.00 H new ATOM 784 N ALA A 52 2.539 8.262 9.781 1.00 10.00 N ATOM 785 CA ALA A 52 3.371 7.638 8.754 1.00 10.00 C ATOM 786 C ALA A 52 3.276 8.432 7.446 1.00 10.00 C ATOM 787 O ALA A 52 2.636 9.482 7.411 1.00 10.00 O ATOM 788 CB ALA A 52 2.918 6.196 8.571 1.00 10.00 C ATOM 0 H ALA A 52 1.630 8.563 9.430 1.00 10.00 H new ATOM 0 HA ALA A 52 4.417 7.641 9.059 1.00 10.00 H new ATOM 0 HB1 ALA A 52 3.530 5.717 7.807 1.00 10.00 H new ATOM 0 HB2 ALA A 52 3.026 5.658 9.513 1.00 10.00 H new ATOM 0 HB3 ALA A 52 1.873 6.179 8.262 1.00 10.00 H new ATOM 794 N SER A 53 3.908 7.947 6.368 1.00 10.00 N ATOM 795 CA SER A 53 3.892 8.606 5.066 1.00 10.00 C ATOM 796 C SER A 53 3.933 7.589 3.922 1.00 10.00 C ATOM 797 O SER A 53 4.175 6.399 4.130 1.00 10.00 O ATOM 798 CB SER A 53 5.077 9.576 4.976 1.00 10.00 C ATOM 799 OG SER A 53 6.297 8.857 5.009 1.00 10.00 O ATOM 0 H SER A 53 4.446 7.081 6.381 1.00 10.00 H new ATOM 0 HA SER A 53 2.960 9.162 4.967 1.00 10.00 H new ATOM 0 HB2 SER A 53 5.013 10.157 4.056 1.00 10.00 H new ATOM 0 HB3 SER A 53 5.041 10.285 5.803 1.00 10.00 H new ATOM 0 HG SER A 53 7.048 9.484 4.949 1.00 10.00 H new ATOM 805 N VAL A 54 3.764 8.084 2.691 1.00 10.00 N ATOM 806 CA VAL A 54 3.954 7.314 1.469 1.00 10.00 C ATOM 807 C VAL A 54 5.287 6.559 1.495 1.00 10.00 C ATOM 808 O VAL A 54 5.333 5.386 1.135 1.00 10.00 O ATOM 809 CB VAL A 54 3.857 8.237 0.242 1.00 10.00 C ATOM 810 CG1 VAL A 54 4.103 7.457 -1.057 1.00 10.00 C ATOM 811 CG2 VAL A 54 2.479 8.911 0.185 1.00 10.00 C ATOM 0 H VAL A 54 3.486 9.050 2.519 1.00 10.00 H new ATOM 0 HA VAL A 54 3.161 6.569 1.401 1.00 10.00 H new ATOM 0 HB VAL A 54 4.628 9.002 0.340 1.00 10.00 H new ATOM 0 HG11 VAL A 54 4.028 8.134 -1.908 1.00 10.00 H new ATOM 0 HG12 VAL A 54 5.099 7.014 -1.032 1.00 10.00 H new ATOM 0 HG13 VAL A 54 3.357 6.668 -1.155 1.00 10.00 H new ATOM 0 HG21 VAL A 54 2.427 9.560 -0.689 1.00 10.00 H new ATOM 0 HG22 VAL A 54 1.703 8.148 0.117 1.00 10.00 H new ATOM 0 HG23 VAL A 54 2.326 9.504 1.087 1.00 10.00 H new ATOM 821 N SER A 55 6.376 7.218 1.899 1.00 10.00 N ATOM 822 CA SER A 55 7.692 6.594 1.954 1.00 10.00 C ATOM 823 C SER A 55 7.723 5.395 2.905 1.00 10.00 C ATOM 824 O SER A 55 8.406 4.404 2.633 1.00 10.00 O ATOM 825 CB SER A 55 8.744 7.627 2.363 1.00 10.00 C ATOM 826 OG SER A 55 8.938 8.536 1.297 1.00 10.00 O ATOM 0 H SER A 55 6.367 8.194 2.195 1.00 10.00 H new ATOM 0 HA SER A 55 7.921 6.219 0.956 1.00 10.00 H new ATOM 0 HB2 SER A 55 8.420 8.160 3.257 1.00 10.00 H new ATOM 0 HB3 SER A 55 9.683 7.131 2.610 1.00 10.00 H new ATOM 0 HG SER A 55 9.610 9.202 1.553 1.00 10.00 H new ATOM 832 N ASP A 56 6.997 5.510 4.020 1.00 10.00 N ATOM 833 CA ASP A 56 6.912 4.468 5.025 1.00 10.00 C ATOM 834 C ASP A 56 6.206 3.266 4.403 1.00 10.00 C ATOM 835 O ASP A 56 6.791 2.200 4.229 1.00 10.00 O ATOM 836 CB ASP A 56 6.163 5.025 6.244 1.00 10.00 C ATOM 837 CG ASP A 56 6.228 4.106 7.451 1.00 10.00 C ATOM 838 OD1 ASP A 56 6.286 2.878 7.241 1.00 10.00 O ATOM 839 OD2 ASP A 56 6.185 4.665 8.565 1.00 10.00 O ATOM 0 H ASP A 56 6.449 6.341 4.245 1.00 10.00 H new ATOM 0 HA ASP A 56 7.896 4.144 5.363 1.00 10.00 H new ATOM 0 HB2 ASP A 56 6.583 5.995 6.510 1.00 10.00 H new ATOM 0 HB3 ASP A 56 5.119 5.192 5.977 1.00 10.00 H new ATOM 844 N LEU A 57 4.962 3.462 3.956 1.00 10.00 N ATOM 845 CA LEU A 57 4.183 2.351 3.433 1.00 10.00 C ATOM 846 C LEU A 57 4.824 1.760 2.178 1.00 10.00 C ATOM 847 O LEU A 57 4.888 0.537 2.054 1.00 10.00 O ATOM 848 CB LEU A 57 2.703 2.703 3.282 1.00 10.00 C ATOM 849 CG LEU A 57 2.401 3.802 2.258 1.00 10.00 C ATOM 850 CD1 LEU A 57 2.169 3.195 0.871 1.00 10.00 C ATOM 851 CD2 LEU A 57 1.183 4.634 2.677 1.00 10.00 C ATOM 0 H LEU A 57 4.485 4.364 3.948 1.00 10.00 H new ATOM 0 HA LEU A 57 4.200 1.550 4.172 1.00 10.00 H new ATOM 0 HB2 LEU A 57 2.158 1.803 2.998 1.00 10.00 H new ATOM 0 HB3 LEU A 57 2.318 3.016 4.253 1.00 10.00 H new ATOM 0 HG LEU A 57 3.267 4.463 2.216 1.00 10.00 H new ATOM 0 HD11 LEU A 57 1.956 3.990 0.157 1.00 10.00 H new ATOM 0 HD12 LEU A 57 3.062 2.654 0.556 1.00 10.00 H new ATOM 0 HD13 LEU A 57 1.324 2.508 0.911 1.00 10.00 H new ATOM 0 HD21 LEU A 57 0.995 5.405 1.930 1.00 10.00 H new ATOM 0 HD22 LEU A 57 0.310 3.986 2.758 1.00 10.00 H new ATOM 0 HD23 LEU A 57 1.377 5.103 3.642 1.00 10.00 H new ATOM 863 N LYS A 58 5.364 2.598 1.278 1.00 10.00 N ATOM 864 CA LYS A 58 6.298 2.144 0.268 1.00 10.00 C ATOM 865 C LYS A 58 7.255 1.106 0.837 1.00 10.00 C ATOM 866 O LYS A 58 7.299 0.016 0.289 1.00 10.00 O ATOM 867 CB LYS A 58 7.072 3.323 -0.332 1.00 10.00 C ATOM 868 CG LYS A 58 8.143 2.836 -1.314 1.00 10.00 C ATOM 869 CD LYS A 58 9.316 3.800 -1.486 1.00 10.00 C ATOM 870 CE LYS A 58 10.149 4.161 -0.243 1.00 10.00 C ATOM 871 NZ LYS A 58 10.342 3.022 0.671 1.00 10.00 N ATOM 0 H LYS A 58 5.160 3.597 1.240 1.00 10.00 H new ATOM 0 HA LYS A 58 5.724 1.673 -0.530 1.00 10.00 H new ATOM 0 HB2 LYS A 58 6.381 3.993 -0.845 1.00 10.00 H new ATOM 0 HB3 LYS A 58 7.541 3.899 0.466 1.00 10.00 H new ATOM 0 HG2 LYS A 58 8.524 1.874 -0.971 1.00 10.00 H new ATOM 0 HG3 LYS A 58 7.680 2.667 -2.286 1.00 10.00 H new ATOM 0 HD2 LYS A 58 9.992 3.373 -2.227 1.00 10.00 H new ATOM 0 HD3 LYS A 58 8.926 4.727 -1.906 1.00 10.00 H new ATOM 0 HE2 LYS A 58 11.123 4.534 -0.561 1.00 10.00 H new ATOM 0 HE3 LYS A 58 9.657 4.972 0.294 1.00 10.00 H new ATOM 0 HZ1 LYS A 58 11.303 3.053 1.066 1.00 10.00 H new ATOM 0 HZ2 LYS A 58 9.648 3.076 1.444 1.00 10.00 H new ATOM 0 HZ3 LYS A 58 10.211 2.132 0.149 1.00 10.00 H new ATOM 885 N GLU A 59 8.033 1.438 1.877 1.00 10.00 N ATOM 886 CA GLU A 59 9.061 0.562 2.431 1.00 10.00 C ATOM 887 C GLU A 59 8.512 -0.845 2.650 1.00 10.00 C ATOM 888 O GLU A 59 9.169 -1.848 2.391 1.00 10.00 O ATOM 889 CB GLU A 59 9.593 1.139 3.744 1.00 10.00 C ATOM 890 CG GLU A 59 10.976 0.541 4.057 1.00 10.00 C ATOM 891 CD GLU A 59 11.018 -0.218 5.381 1.00 10.00 C ATOM 892 OE1 GLU A 59 10.739 -1.440 5.363 1.00 10.00 O ATOM 893 OE2 GLU A 59 11.347 0.436 6.392 1.00 10.00 O ATOM 0 H GLU A 59 7.961 2.334 2.359 1.00 10.00 H new ATOM 0 HA GLU A 59 9.882 0.499 1.717 1.00 10.00 H new ATOM 0 HB2 GLU A 59 9.664 2.224 3.672 1.00 10.00 H new ATOM 0 HB3 GLU A 59 8.900 0.918 4.556 1.00 10.00 H new ATOM 0 HG2 GLU A 59 11.264 -0.133 3.250 1.00 10.00 H new ATOM 0 HG3 GLU A 59 11.714 1.343 4.082 1.00 10.00 H new ATOM 900 N ALA A 60 7.255 -0.898 3.080 1.00 10.00 N ATOM 901 CA ALA A 60 6.586 -2.150 3.379 1.00 10.00 C ATOM 902 C ALA A 60 6.558 -3.037 2.125 1.00 10.00 C ATOM 903 O ALA A 60 6.953 -4.204 2.164 1.00 10.00 O ATOM 904 CB ALA A 60 5.196 -1.860 3.958 1.00 10.00 C ATOM 0 H ALA A 60 6.676 -0.072 3.229 1.00 10.00 H new ATOM 0 HA ALA A 60 7.132 -2.709 4.139 1.00 10.00 H new ATOM 0 HB1 ALA A 60 4.692 -2.800 4.183 1.00 10.00 H new ATOM 0 HB2 ALA A 60 5.297 -1.275 4.872 1.00 10.00 H new ATOM 0 HB3 ALA A 60 4.609 -1.299 3.231 1.00 10.00 H new ATOM 910 N VAL A 61 6.122 -2.461 1.004 1.00 10.00 N ATOM 911 CA VAL A 61 6.109 -3.105 -0.307 1.00 10.00 C ATOM 912 C VAL A 61 7.533 -3.332 -0.845 1.00 10.00 C ATOM 913 O VAL A 61 7.877 -4.428 -1.290 1.00 10.00 O ATOM 914 CB VAL A 61 5.225 -2.279 -1.252 1.00 10.00 C ATOM 915 CG1 VAL A 61 5.289 -2.829 -2.679 1.00 10.00 C ATOM 916 CG2 VAL A 61 3.766 -2.315 -0.778 1.00 10.00 C ATOM 0 H VAL A 61 5.759 -1.508 0.984 1.00 10.00 H new ATOM 0 HA VAL A 61 5.679 -4.103 -0.226 1.00 10.00 H new ATOM 0 HB VAL A 61 5.596 -1.254 -1.243 1.00 10.00 H new ATOM 0 HG11 VAL A 61 4.655 -2.227 -3.330 1.00 10.00 H new ATOM 0 HG12 VAL A 61 6.317 -2.790 -3.038 1.00 10.00 H new ATOM 0 HG13 VAL A 61 4.941 -3.862 -2.687 1.00 10.00 H new ATOM 0 HG21 VAL A 61 3.149 -1.726 -1.456 1.00 10.00 H new ATOM 0 HG22 VAL A 61 3.412 -3.346 -0.768 1.00 10.00 H new ATOM 0 HG23 VAL A 61 3.700 -1.899 0.227 1.00 10.00 H new ATOM 926 N ASP A 62 8.370 -2.304 -0.735 1.00 10.00 N ATOM 927 CA ASP A 62 9.789 -2.292 -1.095 1.00 10.00 C ATOM 928 C ASP A 62 10.441 -3.558 -0.529 1.00 10.00 C ATOM 929 O ASP A 62 11.194 -4.259 -1.201 1.00 10.00 O ATOM 930 CB ASP A 62 10.430 -1.025 -0.477 1.00 10.00 C ATOM 931 CG ASP A 62 11.130 -0.047 -1.410 1.00 10.00 C ATOM 932 OD1 ASP A 62 11.710 -0.479 -2.426 1.00 10.00 O ATOM 933 OD2 ASP A 62 11.054 1.160 -1.068 1.00 10.00 O ATOM 0 H ASP A 62 8.060 -1.403 -0.371 1.00 10.00 H new ATOM 0 HA ASP A 62 9.927 -2.275 -2.176 1.00 10.00 H new ATOM 0 HB2 ASP A 62 9.648 -0.480 0.052 1.00 10.00 H new ATOM 0 HB3 ASP A 62 11.154 -1.349 0.271 1.00 10.00 H new ATOM 938 N LYS A 63 10.104 -3.855 0.730 1.00 10.00 N ATOM 939 CA LYS A 63 10.637 -4.960 1.499 1.00 10.00 C ATOM 940 C LYS A 63 9.941 -6.272 1.143 1.00 10.00 C ATOM 941 O LYS A 63 10.587 -7.316 1.161 1.00 10.00 O ATOM 942 CB LYS A 63 10.529 -4.617 2.987 1.00 10.00 C ATOM 943 CG LYS A 63 11.250 -5.663 3.848 1.00 10.00 C ATOM 944 CD LYS A 63 11.584 -5.083 5.228 1.00 10.00 C ATOM 945 CE LYS A 63 12.355 -6.119 6.062 1.00 10.00 C ATOM 946 NZ LYS A 63 12.913 -5.528 7.297 1.00 10.00 N ATOM 0 H LYS A 63 9.424 -3.303 1.253 1.00 10.00 H new ATOM 0 HA LYS A 63 11.689 -5.111 1.255 1.00 10.00 H new ATOM 0 HB2 LYS A 63 10.960 -3.632 3.169 1.00 10.00 H new ATOM 0 HB3 LYS A 63 9.479 -4.564 3.276 1.00 10.00 H new ATOM 0 HG2 LYS A 63 10.621 -6.546 3.960 1.00 10.00 H new ATOM 0 HG3 LYS A 63 12.165 -5.984 3.351 1.00 10.00 H new ATOM 0 HD2 LYS A 63 12.180 -4.178 5.116 1.00 10.00 H new ATOM 0 HD3 LYS A 63 10.667 -4.799 5.744 1.00 10.00 H new ATOM 0 HE2 LYS A 63 11.690 -6.943 6.322 1.00 10.00 H new ATOM 0 HE3 LYS A 63 13.163 -6.538 5.463 1.00 10.00 H new ATOM 0 HZ1 LYS A 63 13.425 -6.259 7.831 1.00 10.00 H new ATOM 0 HZ2 LYS A 63 13.567 -4.758 7.049 1.00 10.00 H new ATOM 0 HZ3 LYS A 63 12.140 -5.150 7.881 1.00 10.00 H new ATOM 960 N LEU A 64 8.638 -6.249 0.829 1.00 10.00 N ATOM 961 CA LEU A 64 7.981 -7.415 0.257 1.00 10.00 C ATOM 962 C LEU A 64 8.732 -7.951 -0.962 1.00 10.00 C ATOM 963 O LEU A 64 8.879 -9.166 -1.085 1.00 10.00 O ATOM 964 CB LEU A 64 6.536 -7.089 -0.123 1.00 10.00 C ATOM 965 CG LEU A 64 5.599 -7.129 1.080 1.00 10.00 C ATOM 966 CD1 LEU A 64 4.329 -6.329 0.773 1.00 10.00 C ATOM 967 CD2 LEU A 64 5.251 -8.580 1.409 1.00 10.00 C ATOM 0 H LEU A 64 8.030 -5.441 0.963 1.00 10.00 H new ATOM 0 HA LEU A 64 7.984 -8.192 1.021 1.00 10.00 H new ATOM 0 HB2 LEU A 64 6.497 -6.100 -0.579 1.00 10.00 H new ATOM 0 HB3 LEU A 64 6.191 -7.800 -0.874 1.00 10.00 H new ATOM 0 HG LEU A 64 6.092 -6.682 1.943 1.00 10.00 H new ATOM 0 HD11 LEU A 64 3.662 -6.360 1.635 1.00 10.00 H new ATOM 0 HD12 LEU A 64 4.594 -5.294 0.556 1.00 10.00 H new ATOM 0 HD13 LEU A 64 3.826 -6.763 -0.091 1.00 10.00 H new ATOM 0 HD21 LEU A 64 4.581 -8.608 2.269 1.00 10.00 H new ATOM 0 HD22 LEU A 64 4.760 -9.040 0.551 1.00 10.00 H new ATOM 0 HD23 LEU A 64 6.163 -9.129 1.642 1.00 10.00 H new ATOM 979 N GLY A 65 9.188 -7.068 -1.856 1.00 10.00 N ATOM 980 CA GLY A 65 10.047 -7.483 -2.961 1.00 10.00 C ATOM 981 C GLY A 65 9.897 -6.603 -4.197 1.00 10.00 C ATOM 982 O GLY A 65 10.860 -6.393 -4.931 1.00 10.00 O ATOM 0 H GLY A 65 8.977 -6.070 -1.834 1.00 10.00 H new ATOM 0 HA2 GLY A 65 11.086 -7.464 -2.633 1.00 10.00 H new ATOM 0 HA3 GLY A 65 9.815 -8.515 -3.226 1.00 10.00 H new ATOM 986 N TYR A 66 8.678 -6.129 -4.450 1.00 10.00 N ATOM 987 CA TYR A 66 8.333 -5.301 -5.595 1.00 10.00 C ATOM 988 C TYR A 66 8.291 -3.853 -5.129 1.00 10.00 C ATOM 989 O TYR A 66 8.168 -3.606 -3.934 1.00 10.00 O ATOM 990 CB TYR A 66 6.998 -5.767 -6.195 1.00 10.00 C ATOM 991 CG TYR A 66 5.954 -6.280 -5.216 1.00 10.00 C ATOM 992 CD1 TYR A 66 6.041 -7.593 -4.715 1.00 10.00 C ATOM 993 CD2 TYR A 66 4.893 -5.453 -4.809 1.00 10.00 C ATOM 994 CE1 TYR A 66 5.134 -8.038 -3.743 1.00 10.00 C ATOM 995 CE2 TYR A 66 3.946 -5.922 -3.883 1.00 10.00 C ATOM 996 CZ TYR A 66 4.086 -7.204 -3.329 1.00 10.00 C ATOM 997 OH TYR A 66 3.195 -7.663 -2.410 1.00 10.00 O ATOM 0 H TYR A 66 7.881 -6.319 -3.842 1.00 10.00 H new ATOM 0 HA TYR A 66 9.076 -5.390 -6.387 1.00 10.00 H new ATOM 0 HB2 TYR A 66 6.565 -4.935 -6.750 1.00 10.00 H new ATOM 0 HB3 TYR A 66 7.206 -6.557 -6.916 1.00 10.00 H new ATOM 0 HD1 TYR A 66 6.809 -8.259 -5.080 1.00 10.00 H new ATOM 0 HD2 TYR A 66 4.805 -4.454 -5.209 1.00 10.00 H new ATOM 0 HE1 TYR A 66 5.243 -9.023 -3.313 1.00 10.00 H new ATOM 0 HE2 TYR A 66 3.112 -5.297 -3.598 1.00 10.00 H new ATOM 0 HH TYR A 66 3.638 -8.306 -1.818 1.00 10.00 H new ATOM 1007 N LYS A 67 8.416 -2.891 -6.046 1.00 10.00 N ATOM 1008 CA LYS A 67 8.450 -1.486 -5.663 1.00 10.00 C ATOM 1009 C LYS A 67 7.049 -0.886 -5.765 1.00 10.00 C ATOM 1010 O LYS A 67 6.198 -1.375 -6.510 1.00 10.00 O ATOM 1011 CB LYS A 67 9.508 -0.713 -6.468 1.00 10.00 C ATOM 1012 CG LYS A 67 10.097 0.443 -5.638 1.00 10.00 C ATOM 1013 CD LYS A 67 11.319 1.090 -6.301 1.00 10.00 C ATOM 1014 CE LYS A 67 10.919 2.050 -7.430 1.00 10.00 C ATOM 1015 NZ LYS A 67 12.102 2.664 -8.071 1.00 10.00 N ATOM 0 H LYS A 67 8.494 -3.061 -7.049 1.00 10.00 H new ATOM 0 HA LYS A 67 8.758 -1.402 -4.621 1.00 10.00 H new ATOM 0 HB2 LYS A 67 10.306 -1.391 -6.772 1.00 10.00 H new ATOM 0 HB3 LYS A 67 9.060 -0.319 -7.380 1.00 10.00 H new ATOM 0 HG2 LYS A 67 9.329 1.201 -5.484 1.00 10.00 H new ATOM 0 HG3 LYS A 67 10.379 0.070 -4.653 1.00 10.00 H new ATOM 0 HD2 LYS A 67 11.894 1.632 -5.551 1.00 10.00 H new ATOM 0 HD3 LYS A 67 11.970 0.312 -6.700 1.00 10.00 H new ATOM 0 HE2 LYS A 67 10.339 1.510 -8.178 1.00 10.00 H new ATOM 0 HE3 LYS A 67 10.274 2.833 -7.031 1.00 10.00 H new ATOM 0 HZ1 LYS A 67 11.792 3.306 -8.828 1.00 10.00 H new ATOM 0 HZ2 LYS A 67 12.642 3.200 -7.362 1.00 10.00 H new ATOM 0 HZ3 LYS A 67 12.705 1.918 -8.474 1.00 10.00 H new ATOM 1029 N LEU A 68 6.837 0.174 -4.986 1.00 10.00 N ATOM 1030 CA LEU A 68 5.609 0.938 -4.887 1.00 10.00 C ATOM 1031 C LEU A 68 5.951 2.393 -5.167 1.00 10.00 C ATOM 1032 O LEU A 68 7.045 2.838 -4.812 1.00 10.00 O ATOM 1033 CB LEU A 68 5.094 0.830 -3.448 1.00 10.00 C ATOM 1034 CG LEU A 68 3.697 1.438 -3.261 1.00 10.00 C ATOM 1035 CD1 LEU A 68 2.662 0.545 -3.936 1.00 10.00 C ATOM 1036 CD2 LEU A 68 3.350 1.631 -1.791 1.00 10.00 C ATOM 0 H LEU A 68 7.566 0.538 -4.373 1.00 10.00 H new ATOM 0 HA LEU A 68 4.858 0.572 -5.587 1.00 10.00 H new ATOM 0 HB2 LEU A 68 5.069 -0.220 -3.155 1.00 10.00 H new ATOM 0 HB3 LEU A 68 5.794 1.331 -2.779 1.00 10.00 H new ATOM 0 HG LEU A 68 3.693 2.425 -3.724 1.00 10.00 H new ATOM 0 HD11 LEU A 68 1.669 0.975 -3.804 1.00 10.00 H new ATOM 0 HD12 LEU A 68 2.886 0.468 -5.000 1.00 10.00 H new ATOM 0 HD13 LEU A 68 2.690 -0.448 -3.487 1.00 10.00 H new ATOM 0 HD21 LEU A 68 2.353 2.063 -1.706 1.00 10.00 H new ATOM 0 HD22 LEU A 68 3.372 0.667 -1.282 1.00 10.00 H new ATOM 0 HD23 LEU A 68 4.076 2.301 -1.331 1.00 10.00 H new ATOM 1048 N LYS A 69 5.005 3.146 -5.726 1.00 10.00 N ATOM 1049 CA LYS A 69 5.005 4.591 -5.745 1.00 10.00 C ATOM 1050 C LYS A 69 3.563 5.069 -5.734 1.00 10.00 C ATOM 1051 O LYS A 69 2.684 4.318 -6.133 1.00 10.00 O ATOM 1052 CB LYS A 69 5.704 5.092 -7.010 1.00 10.00 C ATOM 1053 CG LYS A 69 7.228 5.161 -6.882 1.00 10.00 C ATOM 1054 CD LYS A 69 7.623 5.912 -5.601 1.00 10.00 C ATOM 1055 CE LYS A 69 9.038 6.492 -5.741 1.00 10.00 C ATOM 1056 NZ LYS A 69 9.506 7.135 -4.495 1.00 10.00 N ATOM 0 H LYS A 69 4.192 2.743 -6.192 1.00 10.00 H new ATOM 0 HA LYS A 69 5.536 4.977 -4.875 1.00 10.00 H new ATOM 0 HB2 LYS A 69 5.447 4.435 -7.841 1.00 10.00 H new ATOM 0 HB3 LYS A 69 5.323 6.083 -7.257 1.00 10.00 H new ATOM 0 HG2 LYS A 69 7.644 4.154 -6.864 1.00 10.00 H new ATOM 0 HG3 LYS A 69 7.650 5.665 -7.752 1.00 10.00 H new ATOM 0 HD2 LYS A 69 6.911 6.714 -5.407 1.00 10.00 H new ATOM 0 HD3 LYS A 69 7.582 5.236 -4.747 1.00 10.00 H new ATOM 0 HE2 LYS A 69 9.729 5.696 -6.018 1.00 10.00 H new ATOM 0 HE3 LYS A 69 9.051 7.221 -6.551 1.00 10.00 H new ATOM 0 HZ1 LYS A 69 10.465 7.511 -4.638 1.00 10.00 H new ATOM 0 HZ2 LYS A 69 8.863 7.912 -4.243 1.00 10.00 H new ATOM 0 HZ3 LYS A 69 9.520 6.434 -3.727 1.00 10.00 H new ATOM 1070 N LEU A 70 3.327 6.303 -5.282 1.00 10.00 N ATOM 1071 CA LEU A 70 2.008 6.914 -5.344 1.00 10.00 C ATOM 1072 C LEU A 70 1.626 7.130 -6.807 1.00 10.00 C ATOM 1073 O LEU A 70 2.492 7.247 -7.672 1.00 10.00 O ATOM 1074 CB LEU A 70 2.034 8.278 -4.642 1.00 10.00 C ATOM 1075 CG LEU A 70 0.708 8.755 -4.039 1.00 10.00 C ATOM 1076 CD1 LEU A 70 0.356 7.918 -2.810 1.00 10.00 C ATOM 1077 CD2 LEU A 70 0.855 10.221 -3.614 1.00 10.00 C ATOM 0 H LEU A 70 4.043 6.899 -4.866 1.00 10.00 H new ATOM 0 HA LEU A 70 1.287 6.260 -4.854 1.00 10.00 H new ATOM 0 HB2 LEU A 70 2.778 8.239 -3.846 1.00 10.00 H new ATOM 0 HB3 LEU A 70 2.373 9.026 -5.359 1.00 10.00 H new ATOM 0 HG LEU A 70 -0.082 8.650 -4.783 1.00 10.00 H new ATOM 0 HD11 LEU A 70 -0.588 8.266 -2.391 1.00 10.00 H new ATOM 0 HD12 LEU A 70 0.261 6.871 -3.098 1.00 10.00 H new ATOM 0 HD13 LEU A 70 1.144 8.019 -2.063 1.00 10.00 H new ATOM 0 HD21 LEU A 70 -0.083 10.571 -3.183 1.00 10.00 H new ATOM 0 HD22 LEU A 70 1.649 10.307 -2.872 1.00 10.00 H new ATOM 0 HD23 LEU A 70 1.104 10.829 -4.484 1.00 10.00 H new ATOM 1089 N LYS A 71 0.327 7.259 -7.045 1.00 10.00 N ATOM 1090 CA LYS A 71 -0.258 7.739 -8.276 1.00 10.00 C ATOM 1091 C LYS A 71 -0.934 9.069 -7.964 1.00 10.00 C ATOM 1092 O LYS A 71 -0.636 10.083 -8.590 1.00 10.00 O ATOM 1093 CB LYS A 71 -1.251 6.691 -8.785 1.00 10.00 C ATOM 1094 CG LYS A 71 -2.128 7.277 -9.893 1.00 10.00 C ATOM 1095 CD LYS A 71 -2.716 6.195 -10.816 1.00 10.00 C ATOM 1096 CE LYS A 71 -2.158 6.273 -12.246 1.00 10.00 C ATOM 1097 NZ LYS A 71 -0.706 6.008 -12.299 1.00 10.00 N ATOM 0 H LYS A 71 -0.376 7.018 -6.346 1.00 10.00 H new ATOM 0 HA LYS A 71 0.485 7.895 -9.058 1.00 10.00 H new ATOM 0 HB2 LYS A 71 -0.711 5.822 -9.162 1.00 10.00 H new ATOM 0 HB3 LYS A 71 -1.877 6.345 -7.962 1.00 10.00 H new ATOM 0 HG2 LYS A 71 -2.941 7.848 -9.444 1.00 10.00 H new ATOM 0 HG3 LYS A 71 -1.538 7.975 -10.487 1.00 10.00 H new ATOM 0 HD2 LYS A 71 -2.502 5.211 -10.399 1.00 10.00 H new ATOM 0 HD3 LYS A 71 -3.801 6.299 -10.847 1.00 10.00 H new ATOM 0 HE2 LYS A 71 -2.679 5.553 -12.876 1.00 10.00 H new ATOM 0 HE3 LYS A 71 -2.359 7.262 -12.658 1.00 10.00 H new ATOM 0 HZ1 LYS A 71 -0.440 5.721 -13.263 1.00 10.00 H new ATOM 0 HZ2 LYS A 71 -0.186 6.870 -12.039 1.00 10.00 H new ATOM 0 HZ3 LYS A 71 -0.468 5.246 -11.633 1.00 10.00 H new ATOM 1111 N GLY A 72 -1.853 9.052 -6.997 1.00 10.00 N ATOM 1112 CA GLY A 72 -2.565 10.241 -6.578 1.00 10.00 C ATOM 1113 C GLY A 72 -3.471 9.906 -5.403 1.00 10.00 C ATOM 1114 O GLY A 72 -3.086 10.100 -4.253 1.00 10.00 O ATOM 0 H GLY A 72 -2.118 8.209 -6.488 1.00 10.00 H new ATOM 0 HA2 GLY A 72 -1.857 11.020 -6.294 1.00 10.00 H new ATOM 0 HA3 GLY A 72 -3.156 10.634 -7.405 1.00 10.00 H new ATOM 1118 N GLU A 73 -4.659 9.376 -5.694 1.00 10.00 N ATOM 1119 CA GLU A 73 -5.734 9.234 -4.726 1.00 10.00 C ATOM 1120 C GLU A 73 -6.830 8.352 -5.313 1.00 10.00 C ATOM 1121 O GLU A 73 -6.743 7.972 -6.478 1.00 10.00 O ATOM 1122 CB GLU A 73 -6.264 10.609 -4.285 1.00 10.00 C ATOM 1123 CG GLU A 73 -6.797 11.461 -5.446 1.00 10.00 C ATOM 1124 CD GLU A 73 -7.390 12.765 -4.930 1.00 10.00 C ATOM 1125 OE1 GLU A 73 -8.371 12.673 -4.161 1.00 10.00 O ATOM 1126 OE2 GLU A 73 -6.845 13.826 -5.307 1.00 10.00 O ATOM 0 H GLU A 73 -4.900 9.030 -6.623 1.00 10.00 H new ATOM 0 HA GLU A 73 -5.353 8.748 -3.827 1.00 10.00 H new ATOM 0 HB2 GLU A 73 -7.060 10.465 -3.555 1.00 10.00 H new ATOM 0 HB3 GLU A 73 -5.465 11.153 -3.782 1.00 10.00 H new ATOM 0 HG2 GLU A 73 -5.990 11.675 -6.147 1.00 10.00 H new ATOM 0 HG3 GLU A 73 -7.556 10.903 -5.995 1.00 10.00 H new