USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 561 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 49 SER OG : rot -102:sc= 0.0698 USER MOD Set 1.2: A 50 ASN : amide:sc= -9.45! C(o=-9.4!,f=-7!) USER MOD Single : A 1 VAL N :NH3+ 157:sc= -0.286 (180deg=-2.04!) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= -6.51! C(o=-6.5!,f=-12!) USER MOD Single : A 7 ASN : amide:sc=-0.00802 K(o=-0.008,f=-1.7!) USER MOD Single : A 9 SER OG : rot -8:sc= 0.924 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0.0673 USER MOD Single : A 16 LYS NZ :NH3+ 179:sc= 0.018 (180deg=0.0178) USER MOD Single : A 17 LYS NZ :NH3+ -134:sc= -0.0282 (180deg=-0.639) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -3.12! C(o=-3.1!,f=-8!) USER MOD Single : A 52 ASN : amide:sc= -0.441 X(o=-0.44,f=-0.059) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -0.261 X(o=-0.26,f=0) USER MOD Single : A 67 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=-0.0074) USER MOD Single : A 82 THR OG1 : rot -129:sc= -0.388 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -2.360 -12.381 -0.406 1.00 0.00 N ATOM 2 CA VAL A 1 -1.538 -12.476 0.835 1.00 0.00 C ATOM 3 C VAL A 1 -2.265 -11.802 2.003 1.00 0.00 C ATOM 4 O VAL A 1 -2.635 -10.647 1.932 1.00 0.00 O ATOM 5 CB VAL A 1 -0.244 -11.733 0.509 1.00 0.00 C ATOM 6 CG1 VAL A 1 -0.579 -10.349 -0.051 1.00 0.00 C ATOM 7 CG2 VAL A 1 0.592 -11.582 1.782 1.00 0.00 C ATOM 0 H1 VAL A 1 -1.743 -12.470 -1.239 1.00 0.00 H new ATOM 0 H2 VAL A 1 -3.066 -13.145 -0.414 1.00 0.00 H new ATOM 0 H3 VAL A 1 -2.845 -11.461 -0.432 1.00 0.00 H new ATOM 0 HA VAL A 1 -1.352 -13.509 1.130 1.00 0.00 H new ATOM 0 HB VAL A 1 0.323 -12.297 -0.232 1.00 0.00 H new ATOM 0 HG11 VAL A 1 0.344 -9.818 -0.284 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -1.174 -10.458 -0.958 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -1.146 -9.784 0.689 1.00 0.00 H new ATOM 0 HG21 VAL A 1 1.516 -11.052 1.550 1.00 0.00 H new ATOM 0 HG22 VAL A 1 0.027 -11.018 2.524 1.00 0.00 H new ATOM 0 HG23 VAL A 1 0.830 -12.568 2.180 1.00 0.00 H new ATOM 19 N THR A 2 -2.476 -12.517 3.075 1.00 0.00 N ATOM 20 CA THR A 2 -3.183 -11.918 4.243 1.00 0.00 C ATOM 21 C THR A 2 -2.266 -11.904 5.469 1.00 0.00 C ATOM 22 O THR A 2 -1.360 -12.706 5.587 1.00 0.00 O ATOM 23 CB THR A 2 -4.387 -12.830 4.484 1.00 0.00 C ATOM 24 OG1 THR A 2 -5.152 -12.924 3.291 1.00 0.00 O ATOM 25 CG2 THR A 2 -5.252 -12.252 5.605 1.00 0.00 C ATOM 0 H THR A 2 -2.190 -13.489 3.192 1.00 0.00 H new ATOM 0 HA THR A 2 -3.482 -10.886 4.060 1.00 0.00 H new ATOM 0 HB THR A 2 -4.041 -13.822 4.773 1.00 0.00 H new ATOM 0 HG1 THR A 2 -5.923 -13.509 3.442 1.00 0.00 H new ATOM 0 HG21 THR A 2 -6.109 -12.903 5.775 1.00 0.00 H new ATOM 0 HG22 THR A 2 -4.663 -12.181 6.519 1.00 0.00 H new ATOM 0 HG23 THR A 2 -5.601 -11.259 5.320 1.00 0.00 H new ATOM 33 N VAL A 3 -2.496 -11.004 6.386 1.00 0.00 N ATOM 34 CA VAL A 3 -1.639 -10.947 7.605 1.00 0.00 C ATOM 35 C VAL A 3 -2.121 -11.979 8.626 1.00 0.00 C ATOM 36 O VAL A 3 -3.268 -11.979 9.026 1.00 0.00 O ATOM 37 CB VAL A 3 -1.816 -9.528 8.145 1.00 0.00 C ATOM 38 CG1 VAL A 3 -1.052 -9.383 9.462 1.00 0.00 C ATOM 39 CG2 VAL A 3 -1.273 -8.522 7.128 1.00 0.00 C ATOM 0 H VAL A 3 -3.239 -10.307 6.344 1.00 0.00 H new ATOM 0 HA VAL A 3 -0.593 -11.171 7.394 1.00 0.00 H new ATOM 0 HB VAL A 3 -2.875 -9.336 8.316 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -1.179 -8.371 9.847 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -1.439 -10.098 10.188 1.00 0.00 H new ATOM 0 HG13 VAL A 3 0.007 -9.577 9.291 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -1.400 -7.510 7.514 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -0.214 -8.715 6.955 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -1.818 -8.623 6.189 1.00 0.00 H new ATOM 49 N GLN A 4 -1.261 -12.866 9.042 1.00 0.00 N ATOM 50 CA GLN A 4 -1.686 -13.902 10.028 1.00 0.00 C ATOM 51 C GLN A 4 -0.976 -13.696 11.370 1.00 0.00 C ATOM 52 O GLN A 4 0.236 -13.698 11.450 1.00 0.00 O ATOM 53 CB GLN A 4 -1.272 -15.234 9.403 1.00 0.00 C ATOM 54 CG GLN A 4 -1.809 -16.389 10.252 1.00 0.00 C ATOM 55 CD GLN A 4 -1.522 -17.716 9.549 1.00 0.00 C ATOM 56 OE1 GLN A 4 -1.044 -17.734 8.431 1.00 0.00 O ATOM 57 NE2 GLN A 4 -1.796 -18.835 10.159 1.00 0.00 N ATOM 0 H GLN A 4 -0.287 -12.920 8.745 1.00 0.00 H new ATOM 0 HA GLN A 4 -2.756 -13.857 10.232 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -1.659 -15.306 8.387 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -0.186 -15.293 9.335 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -1.341 -16.378 11.237 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -2.882 -16.272 10.407 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -2.197 -18.820 11.097 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -1.609 -19.726 9.699 1.00 0.00 H new ATOM 66 N ASP A 5 -1.727 -13.525 12.423 1.00 0.00 N ATOM 67 CA ASP A 5 -1.104 -13.327 13.763 1.00 0.00 C ATOM 68 C ASP A 5 -1.129 -14.642 14.548 1.00 0.00 C ATOM 69 O ASP A 5 -0.902 -14.671 15.741 1.00 0.00 O ATOM 70 CB ASP A 5 -1.967 -12.271 14.452 1.00 0.00 C ATOM 71 CG ASP A 5 -1.833 -10.940 13.710 1.00 0.00 C ATOM 72 OD1 ASP A 5 -0.928 -10.825 12.899 1.00 0.00 O ATOM 73 OD2 ASP A 5 -2.636 -10.058 13.965 1.00 0.00 O ATOM 0 H ASP A 5 -2.747 -13.514 12.414 1.00 0.00 H new ATOM 0 HA ASP A 5 -0.062 -13.014 13.696 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -3.009 -12.589 14.464 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -1.657 -12.154 15.490 1.00 0.00 H new ATOM 78 N GLY A 6 -1.405 -15.729 13.882 1.00 0.00 N ATOM 79 CA GLY A 6 -1.448 -17.046 14.577 1.00 0.00 C ATOM 80 C GLY A 6 -1.932 -18.118 13.597 1.00 0.00 C ATOM 81 O GLY A 6 -1.471 -18.198 12.476 1.00 0.00 O ATOM 0 H GLY A 6 -1.603 -15.762 12.882 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -0.459 -17.303 14.956 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -2.115 -16.995 15.437 1.00 0.00 H new ATOM 85 N ASN A 7 -2.860 -18.938 14.007 1.00 0.00 N ATOM 86 CA ASN A 7 -3.374 -19.997 13.092 1.00 0.00 C ATOM 87 C ASN A 7 -4.576 -19.468 12.303 1.00 0.00 C ATOM 88 O ASN A 7 -5.324 -20.218 11.710 1.00 0.00 O ATOM 89 CB ASN A 7 -3.794 -21.144 14.010 1.00 0.00 C ATOM 90 CG ASN A 7 -2.567 -21.681 14.749 1.00 0.00 C ATOM 91 OD1 ASN A 7 -1.446 -21.402 14.371 1.00 0.00 O ATOM 92 ND2 ASN A 7 -2.732 -22.443 15.795 1.00 0.00 N ATOM 0 H ASN A 7 -3.284 -18.921 14.934 1.00 0.00 H new ATOM 0 HA ASN A 7 -2.629 -20.315 12.363 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -4.540 -20.797 14.725 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -4.258 -21.940 13.427 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -1.920 -22.805 16.296 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -3.673 -22.677 16.112 1.00 0.00 H new ATOM 99 N PHE A 8 -4.760 -18.177 12.296 1.00 0.00 N ATOM 100 CA PHE A 8 -5.908 -17.588 11.549 1.00 0.00 C ATOM 101 C PHE A 8 -5.419 -16.457 10.639 1.00 0.00 C ATOM 102 O PHE A 8 -4.726 -15.557 11.071 1.00 0.00 O ATOM 103 CB PHE A 8 -6.845 -17.047 12.629 1.00 0.00 C ATOM 104 CG PHE A 8 -7.272 -18.177 13.537 1.00 0.00 C ATOM 105 CD1 PHE A 8 -8.421 -18.921 13.238 1.00 0.00 C ATOM 106 CD2 PHE A 8 -6.519 -18.481 14.678 1.00 0.00 C ATOM 107 CE1 PHE A 8 -8.815 -19.969 14.079 1.00 0.00 C ATOM 108 CE2 PHE A 8 -6.915 -19.528 15.519 1.00 0.00 C ATOM 109 CZ PHE A 8 -8.062 -20.272 15.221 1.00 0.00 C ATOM 0 H PHE A 8 -4.164 -17.503 12.776 1.00 0.00 H new ATOM 0 HA PHE A 8 -6.405 -18.316 10.908 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -6.342 -16.272 13.207 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -7.719 -16.585 12.169 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -9.003 -18.686 12.359 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -5.633 -17.908 14.909 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -9.699 -20.544 13.847 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -6.334 -19.762 16.399 1.00 0.00 H new ATOM 0 HZ PHE A 8 -8.367 -21.079 15.871 1.00 0.00 H new ATOM 119 N SER A 9 -5.773 -16.496 9.383 1.00 0.00 N ATOM 120 CA SER A 9 -5.327 -15.422 8.449 1.00 0.00 C ATOM 121 C SER A 9 -6.212 -14.184 8.614 1.00 0.00 C ATOM 122 O SER A 9 -7.420 -14.249 8.486 1.00 0.00 O ATOM 123 CB SER A 9 -5.488 -16.021 7.051 1.00 0.00 C ATOM 124 OG SER A 9 -6.853 -15.956 6.663 1.00 0.00 O ATOM 0 H SER A 9 -6.351 -17.224 8.963 1.00 0.00 H new ATOM 0 HA SER A 9 -4.301 -15.106 8.637 1.00 0.00 H new ATOM 0 HB2 SER A 9 -4.870 -15.477 6.337 1.00 0.00 H new ATOM 0 HB3 SER A 9 -5.146 -17.056 7.045 1.00 0.00 H new ATOM 0 HG SER A 9 -7.396 -15.661 7.424 1.00 0.00 H new ATOM 130 N PHE A 10 -5.623 -13.056 8.906 1.00 0.00 N ATOM 131 CA PHE A 10 -6.432 -11.816 9.088 1.00 0.00 C ATOM 132 C PHE A 10 -6.067 -10.773 8.026 1.00 0.00 C ATOM 133 O PHE A 10 -4.919 -10.405 7.873 1.00 0.00 O ATOM 134 CB PHE A 10 -6.058 -11.303 10.478 1.00 0.00 C ATOM 135 CG PHE A 10 -6.512 -12.291 11.524 1.00 0.00 C ATOM 136 CD1 PHE A 10 -7.869 -12.386 11.857 1.00 0.00 C ATOM 137 CD2 PHE A 10 -5.575 -13.110 12.164 1.00 0.00 C ATOM 138 CE1 PHE A 10 -8.288 -13.301 12.831 1.00 0.00 C ATOM 139 CE2 PHE A 10 -5.994 -14.024 13.137 1.00 0.00 C ATOM 140 CZ PHE A 10 -7.350 -14.121 13.470 1.00 0.00 C ATOM 0 H PHE A 10 -4.617 -12.939 9.026 1.00 0.00 H new ATOM 0 HA PHE A 10 -7.500 -12.009 8.989 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -4.980 -11.158 10.545 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -6.522 -10.333 10.655 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -8.592 -11.754 11.363 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -4.529 -13.037 11.907 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -9.334 -13.374 13.089 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -5.270 -14.655 13.632 1.00 0.00 H new ATOM 0 HZ PHE A 10 -7.673 -14.828 14.220 1.00 0.00 H new ATOM 150 N SER A 11 -7.036 -10.288 7.297 1.00 0.00 N ATOM 151 CA SER A 11 -6.738 -9.263 6.256 1.00 0.00 C ATOM 152 C SER A 11 -6.259 -7.971 6.923 1.00 0.00 C ATOM 153 O SER A 11 -6.403 -7.789 8.116 1.00 0.00 O ATOM 154 CB SER A 11 -8.065 -9.031 5.530 1.00 0.00 C ATOM 155 OG SER A 11 -8.967 -8.359 6.395 1.00 0.00 O ATOM 0 H SER A 11 -8.017 -10.556 7.377 1.00 0.00 H new ATOM 0 HA SER A 11 -5.954 -9.583 5.570 1.00 0.00 H new ATOM 0 HB2 SER A 11 -7.900 -8.440 4.629 1.00 0.00 H new ATOM 0 HB3 SER A 11 -8.490 -9.984 5.213 1.00 0.00 H new ATOM 0 HG SER A 11 -9.816 -8.209 5.929 1.00 0.00 H new ATOM 161 N LEU A 12 -5.677 -7.079 6.170 1.00 0.00 N ATOM 162 CA LEU A 12 -5.178 -5.808 6.772 1.00 0.00 C ATOM 163 C LEU A 12 -6.015 -4.615 6.299 1.00 0.00 C ATOM 164 O LEU A 12 -5.870 -3.512 6.791 1.00 0.00 O ATOM 165 CB LEU A 12 -3.739 -5.684 6.273 1.00 0.00 C ATOM 166 CG LEU A 12 -2.967 -4.715 7.169 1.00 0.00 C ATOM 167 CD1 LEU A 12 -2.970 -5.237 8.607 1.00 0.00 C ATOM 168 CD2 LEU A 12 -1.526 -4.601 6.670 1.00 0.00 C ATOM 0 H LEU A 12 -5.525 -7.174 5.166 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.242 -5.816 7.860 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.257 -6.661 6.277 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.730 -5.328 5.243 1.00 0.00 H new ATOM 0 HG LEU A 12 -3.441 -3.734 7.139 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.420 -4.546 9.246 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.997 -5.320 8.962 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.495 -6.218 8.639 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.974 -3.911 7.307 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.052 -5.582 6.701 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.524 -4.229 5.645 1.00 0.00 H new ATOM 180 N GLU A 13 -6.882 -4.818 5.347 1.00 0.00 N ATOM 181 CA GLU A 13 -7.716 -3.687 4.845 1.00 0.00 C ATOM 182 C GLU A 13 -8.570 -3.103 5.976 1.00 0.00 C ATOM 183 O GLU A 13 -8.347 -1.996 6.424 1.00 0.00 O ATOM 184 CB GLU A 13 -8.605 -4.299 3.762 1.00 0.00 C ATOM 185 CG GLU A 13 -9.382 -3.188 3.053 1.00 0.00 C ATOM 186 CD GLU A 13 -10.308 -3.802 2.001 1.00 0.00 C ATOM 187 OE1 GLU A 13 -10.327 -5.018 1.896 1.00 0.00 O ATOM 188 OE2 GLU A 13 -10.981 -3.048 1.320 1.00 0.00 O ATOM 0 H GLU A 13 -7.050 -5.716 4.894 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.106 -2.870 4.460 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -7.996 -4.847 3.043 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -9.297 -5.015 4.206 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -9.964 -2.618 3.777 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -8.690 -2.490 2.581 1.00 0.00 H new ATOM 195 N SER A 14 -9.550 -3.832 6.438 1.00 0.00 N ATOM 196 CA SER A 14 -10.416 -3.309 7.535 1.00 0.00 C ATOM 197 C SER A 14 -9.565 -2.661 8.628 1.00 0.00 C ATOM 198 O SER A 14 -9.918 -1.634 9.178 1.00 0.00 O ATOM 199 CB SER A 14 -11.142 -4.532 8.090 1.00 0.00 C ATOM 200 OG SER A 14 -11.649 -5.312 7.019 1.00 0.00 O ATOM 0 H SER A 14 -9.789 -4.766 6.104 1.00 0.00 H new ATOM 0 HA SER A 14 -11.108 -2.547 7.176 1.00 0.00 H new ATOM 0 HB2 SER A 14 -10.460 -5.128 8.696 1.00 0.00 H new ATOM 0 HB3 SER A 14 -11.957 -4.219 8.742 1.00 0.00 H new ATOM 0 HG SER A 14 -12.113 -6.097 7.377 1.00 0.00 H new ATOM 206 N VAL A 15 -8.442 -3.243 8.947 1.00 0.00 N ATOM 207 CA VAL A 15 -7.579 -2.648 10.001 1.00 0.00 C ATOM 208 C VAL A 15 -7.062 -1.288 9.531 1.00 0.00 C ATOM 209 O VAL A 15 -7.160 -0.302 10.234 1.00 0.00 O ATOM 210 CB VAL A 15 -6.437 -3.642 10.190 1.00 0.00 C ATOM 211 CG1 VAL A 15 -5.289 -2.974 10.951 1.00 0.00 C ATOM 212 CG2 VAL A 15 -6.953 -4.839 10.993 1.00 0.00 C ATOM 0 H VAL A 15 -8.087 -4.101 8.525 1.00 0.00 H new ATOM 0 HA VAL A 15 -8.110 -2.478 10.938 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.073 -3.974 9.217 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -4.476 -3.688 11.083 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.929 -2.115 10.385 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.644 -2.643 11.927 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -6.145 -5.557 11.135 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -7.311 -4.498 11.965 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -7.771 -5.315 10.452 1.00 0.00 H new ATOM 222 N LYS A 16 -6.532 -1.217 8.343 1.00 0.00 N ATOM 223 CA LYS A 16 -6.039 0.094 7.840 1.00 0.00 C ATOM 224 C LYS A 16 -7.178 1.111 7.916 1.00 0.00 C ATOM 225 O LYS A 16 -7.031 2.186 8.463 1.00 0.00 O ATOM 226 CB LYS A 16 -5.627 -0.161 6.391 1.00 0.00 C ATOM 227 CG LYS A 16 -4.292 -0.910 6.371 1.00 0.00 C ATOM 228 CD LYS A 16 -3.866 -1.162 4.924 1.00 0.00 C ATOM 229 CE LYS A 16 -2.638 -2.073 4.908 1.00 0.00 C ATOM 230 NZ LYS A 16 -2.625 -2.670 3.544 1.00 0.00 N ATOM 0 H LYS A 16 -6.419 -2.003 7.703 1.00 0.00 H new ATOM 0 HA LYS A 16 -5.205 0.490 8.420 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -6.393 -0.745 5.880 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.536 0.784 5.855 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -3.529 -0.328 6.889 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.387 -1.857 6.903 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.682 -1.623 4.368 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.638 -0.217 4.430 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.725 -1.510 5.102 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.707 -2.843 5.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.800 -3.296 3.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.496 -3.219 3.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.569 -1.912 2.834 1.00 0.00 H new ATOM 244 N LYS A 17 -8.322 0.768 7.388 1.00 0.00 N ATOM 245 CA LYS A 17 -9.483 1.700 7.447 1.00 0.00 C ATOM 246 C LYS A 17 -10.142 1.610 8.826 1.00 0.00 C ATOM 247 O LYS A 17 -11.160 2.222 9.081 1.00 0.00 O ATOM 248 CB LYS A 17 -10.445 1.209 6.365 1.00 0.00 C ATOM 249 CG LYS A 17 -9.769 1.303 4.996 1.00 0.00 C ATOM 250 CD LYS A 17 -10.737 0.814 3.917 1.00 0.00 C ATOM 251 CE LYS A 17 -10.036 0.832 2.557 1.00 0.00 C ATOM 252 NZ LYS A 17 -9.891 2.277 2.224 1.00 0.00 N ATOM 0 H LYS A 17 -8.502 -0.119 6.918 1.00 0.00 H new ATOM 0 HA LYS A 17 -9.193 2.739 7.289 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -10.740 0.179 6.566 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -11.355 1.809 6.374 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -9.472 2.332 4.795 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -8.860 0.701 4.985 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -11.078 -0.195 4.149 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -11.621 1.451 3.891 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -9.066 0.338 2.605 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -10.623 0.309 1.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -10.179 2.436 1.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -10.494 2.841 2.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -8.899 2.563 2.346 1.00 0.00 H new ATOM 266 N LEU A 18 -9.564 0.849 9.717 1.00 0.00 N ATOM 267 CA LEU A 18 -10.143 0.711 11.084 1.00 0.00 C ATOM 268 C LEU A 18 -10.271 2.086 11.745 1.00 0.00 C ATOM 269 O LEU A 18 -11.104 2.295 12.606 1.00 0.00 O ATOM 270 CB LEU A 18 -9.136 -0.167 11.831 1.00 0.00 C ATOM 271 CG LEU A 18 -9.670 -0.522 13.219 1.00 0.00 C ATOM 272 CD1 LEU A 18 -11.102 -1.040 13.097 1.00 0.00 C ATOM 273 CD2 LEU A 18 -8.789 -1.613 13.842 1.00 0.00 C ATOM 0 H LEU A 18 -8.711 0.314 9.555 1.00 0.00 H new ATOM 0 HA LEU A 18 -11.143 0.278 11.081 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -8.945 -1.078 11.263 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -8.184 0.356 11.923 1.00 0.00 H new ATOM 0 HG LEU A 18 -9.655 0.366 13.851 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -11.483 -1.293 14.086 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -11.731 -0.269 12.652 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -11.115 -1.928 12.465 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -9.169 -1.867 14.832 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.806 -2.500 13.209 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.765 -1.249 13.929 1.00 0.00 H new ATOM 285 N LYS A 19 -9.460 3.028 11.346 1.00 0.00 N ATOM 286 CA LYS A 19 -9.546 4.389 11.950 1.00 0.00 C ATOM 287 C LYS A 19 -10.927 4.992 11.678 1.00 0.00 C ATOM 288 O LYS A 19 -11.485 5.691 12.500 1.00 0.00 O ATOM 289 CB LYS A 19 -8.457 5.205 11.252 1.00 0.00 C ATOM 290 CG LYS A 19 -8.449 6.628 11.816 1.00 0.00 C ATOM 291 CD LYS A 19 -7.520 7.507 10.975 1.00 0.00 C ATOM 292 CE LYS A 19 -7.293 8.841 11.690 1.00 0.00 C ATOM 293 NZ LYS A 19 -7.951 9.856 10.820 1.00 0.00 N ATOM 0 H LYS A 19 -8.743 2.915 10.629 1.00 0.00 H new ATOM 0 HA LYS A 19 -9.408 4.374 13.031 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -7.484 4.737 11.402 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -8.637 5.229 10.177 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -9.459 7.038 11.810 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -8.116 6.617 12.854 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -6.568 7.001 10.817 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -7.957 7.679 9.991 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -7.729 8.834 12.689 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.230 9.051 11.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -7.840 10.800 11.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -7.510 9.844 9.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -8.963 9.634 10.732 1.00 0.00 H new ATOM 307 N ASP A 20 -11.484 4.720 10.529 1.00 0.00 N ATOM 308 CA ASP A 20 -12.831 5.269 10.203 1.00 0.00 C ATOM 309 C ASP A 20 -13.918 4.335 10.741 1.00 0.00 C ATOM 310 O ASP A 20 -14.109 3.240 10.249 1.00 0.00 O ATOM 311 CB ASP A 20 -12.877 5.323 8.675 1.00 0.00 C ATOM 312 CG ASP A 20 -14.201 5.945 8.225 1.00 0.00 C ATOM 313 OD1 ASP A 20 -14.951 6.379 9.084 1.00 0.00 O ATOM 314 OD2 ASP A 20 -14.442 5.977 7.029 1.00 0.00 O ATOM 0 H ASP A 20 -11.064 4.141 9.802 1.00 0.00 H new ATOM 0 HA ASP A 20 -13.001 6.249 10.649 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -12.040 5.910 8.296 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -12.776 4.319 8.262 1.00 0.00 H new ATOM 319 N LEU A 21 -14.629 4.754 11.750 1.00 0.00 N ATOM 320 CA LEU A 21 -15.697 3.885 12.322 1.00 0.00 C ATOM 321 C LEU A 21 -17.081 4.399 11.915 1.00 0.00 C ATOM 322 O LEU A 21 -17.230 5.515 11.458 1.00 0.00 O ATOM 323 CB LEU A 21 -15.509 3.977 13.834 1.00 0.00 C ATOM 324 CG LEU A 21 -14.895 2.673 14.353 1.00 0.00 C ATOM 325 CD1 LEU A 21 -15.952 1.568 14.328 1.00 0.00 C ATOM 326 CD2 LEU A 21 -13.712 2.269 13.467 1.00 0.00 C ATOM 0 H LEU A 21 -14.517 5.661 12.204 1.00 0.00 H new ATOM 0 HA LEU A 21 -15.630 2.858 11.964 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -14.862 4.819 14.080 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -16.468 4.159 14.320 1.00 0.00 H new ATOM 0 HG LEU A 21 -14.545 2.821 15.375 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -15.516 0.639 14.697 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -16.791 1.853 14.963 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -16.303 1.423 13.306 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -13.278 1.341 13.840 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -14.057 2.123 12.444 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -12.958 3.056 13.486 1.00 0.00 H new ATOM 518 N ARG A 33 -4.774 0.877 0.189 1.00 0.00 N ATOM 519 CA ARG A 33 -4.872 0.569 1.645 1.00 0.00 C ATOM 520 C ARG A 33 -3.563 0.932 2.354 1.00 0.00 C ATOM 521 O ARG A 33 -2.542 0.310 2.146 1.00 0.00 O ATOM 522 CB ARG A 33 -5.122 -0.938 1.714 1.00 0.00 C ATOM 523 CG ARG A 33 -6.403 -1.278 0.950 1.00 0.00 C ATOM 524 CD ARG A 33 -6.698 -2.773 1.090 1.00 0.00 C ATOM 525 NE ARG A 33 -7.870 -3.016 0.203 1.00 0.00 N ATOM 526 CZ ARG A 33 -7.698 -3.558 -0.971 1.00 0.00 C ATOM 527 NH1 ARG A 33 -6.585 -3.363 -1.624 1.00 0.00 N ATOM 528 NH2 ARG A 33 -8.639 -4.296 -1.493 1.00 0.00 N ATOM 0 HA ARG A 33 -5.663 1.136 2.135 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -4.277 -1.478 1.287 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -5.210 -1.256 2.753 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -7.237 -0.694 1.339 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -6.293 -1.015 -0.102 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -5.841 -3.375 0.787 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -6.923 -3.036 2.123 1.00 0.00 H new ATOM 0 HE ARG A 33 -8.807 -2.759 0.514 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -5.849 -2.786 -1.216 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -6.451 -3.787 -2.542 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -9.509 -4.449 -0.983 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -8.505 -4.720 -2.411 1.00 0.00 H new ATOM 542 N ASN A 34 -3.586 1.937 3.189 1.00 0.00 N ATOM 543 CA ASN A 34 -2.344 2.343 3.913 1.00 0.00 C ATOM 544 C ASN A 34 -2.555 3.693 4.608 1.00 0.00 C ATOM 545 O ASN A 34 -3.669 4.084 4.895 1.00 0.00 O ATOM 546 CB ASN A 34 -1.263 2.453 2.831 1.00 0.00 C ATOM 547 CG ASN A 34 -1.845 3.106 1.575 1.00 0.00 C ATOM 548 OD1 ASN A 34 -2.989 3.514 1.560 1.00 0.00 O ATOM 549 ND2 ASN A 34 -1.098 3.220 0.510 1.00 0.00 N ATOM 0 H ASN A 34 -4.412 2.496 3.402 1.00 0.00 H new ATOM 0 HA ASN A 34 -2.066 1.628 4.687 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -0.424 3.042 3.202 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -0.876 1.463 2.590 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -1.475 3.651 -0.334 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -0.137 2.878 0.522 1.00 0.00 H new ATOM 619 N PRO A 39 0.036 2.772 16.070 1.00 0.00 N ATOM 620 CA PRO A 39 -0.565 1.821 17.035 1.00 0.00 C ATOM 621 C PRO A 39 -0.622 2.438 18.435 1.00 0.00 C ATOM 622 O PRO A 39 0.301 3.097 18.871 1.00 0.00 O ATOM 623 CB PRO A 39 0.407 0.639 16.992 1.00 0.00 C ATOM 624 CG PRO A 39 1.537 0.962 15.994 1.00 0.00 C ATOM 625 CD PRO A 39 1.272 2.341 15.375 1.00 0.00 C ATOM 0 HA PRO A 39 -1.591 1.542 16.794 1.00 0.00 H new ATOM 0 HB2 PRO A 39 0.820 0.454 17.983 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -0.115 -0.269 16.690 1.00 0.00 H new ATOM 0 HG2 PRO A 39 2.502 0.955 16.501 1.00 0.00 H new ATOM 0 HG3 PRO A 39 1.581 0.201 15.215 1.00 0.00 H new ATOM 0 HD2 PRO A 39 2.098 3.030 15.551 1.00 0.00 H new ATOM 0 HD3 PRO A 39 1.131 2.281 14.296 1.00 0.00 H new ATOM 633 N GLY A 40 -1.700 2.235 19.143 1.00 0.00 N ATOM 634 CA GLY A 40 -1.810 2.816 20.510 1.00 0.00 C ATOM 635 C GLY A 40 -2.529 1.833 21.440 1.00 0.00 C ATOM 636 O GLY A 40 -2.800 2.137 22.584 1.00 0.00 O ATOM 0 H GLY A 40 -2.507 1.693 18.834 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -0.817 3.039 20.900 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.356 3.758 20.471 1.00 0.00 H new ATOM 640 N GLU A 41 -2.840 0.658 20.963 1.00 0.00 N ATOM 641 CA GLU A 41 -3.542 -0.333 21.831 1.00 0.00 C ATOM 642 C GLU A 41 -4.893 0.231 22.283 1.00 0.00 C ATOM 643 O GLU A 41 -5.063 0.590 23.432 1.00 0.00 O ATOM 644 CB GLU A 41 -2.614 -0.533 23.031 1.00 0.00 C ATOM 645 CG GLU A 41 -2.454 -2.028 23.310 1.00 0.00 C ATOM 646 CD GLU A 41 -1.075 -2.489 22.837 1.00 0.00 C ATOM 647 OE1 GLU A 41 -0.540 -1.867 21.934 1.00 0.00 O ATOM 648 OE2 GLU A 41 -0.575 -3.458 23.387 1.00 0.00 O ATOM 0 H GLU A 41 -2.640 0.342 20.014 1.00 0.00 H new ATOM 0 HA GLU A 41 -3.745 -1.270 21.313 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.641 -0.084 22.831 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -3.023 -0.031 23.908 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.569 -2.224 24.376 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.234 -2.590 22.796 1.00 0.00 H new ATOM 655 N PRO A 42 -5.812 0.293 21.355 1.00 0.00 N ATOM 656 CA PRO A 42 -7.165 0.820 21.645 1.00 0.00 C ATOM 657 C PRO A 42 -7.870 -0.032 22.703 1.00 0.00 C ATOM 658 O PRO A 42 -7.260 -0.836 23.380 1.00 0.00 O ATOM 659 CB PRO A 42 -7.868 0.702 20.289 1.00 0.00 C ATOM 660 CG PRO A 42 -6.880 0.106 19.269 1.00 0.00 C ATOM 661 CD PRO A 42 -5.543 -0.162 19.973 1.00 0.00 C ATOM 0 HA PRO A 42 -7.159 1.834 22.044 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -8.750 0.068 20.375 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -8.211 1.681 19.955 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -7.279 -0.819 18.853 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -6.737 0.794 18.436 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -5.271 -1.217 19.939 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -4.725 0.393 19.515 1.00 0.00 H new ATOM 669 N VAL A 43 -9.153 0.142 22.844 1.00 0.00 N ATOM 670 CA VAL A 43 -9.913 -0.654 23.854 1.00 0.00 C ATOM 671 C VAL A 43 -10.555 -1.877 23.189 1.00 0.00 C ATOM 672 O VAL A 43 -11.225 -1.769 22.183 1.00 0.00 O ATOM 673 CB VAL A 43 -10.989 0.295 24.410 1.00 0.00 C ATOM 674 CG1 VAL A 43 -11.409 1.309 23.342 1.00 0.00 C ATOM 675 CG2 VAL A 43 -12.216 -0.514 24.842 1.00 0.00 C ATOM 0 H VAL A 43 -9.712 0.802 22.304 1.00 0.00 H new ATOM 0 HA VAL A 43 -9.267 -1.027 24.648 1.00 0.00 H new ATOM 0 HB VAL A 43 -10.575 0.827 25.266 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -12.171 1.973 23.750 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -10.542 1.895 23.036 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -11.813 0.781 22.478 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -12.976 0.161 25.235 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -12.618 -1.052 23.984 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -11.928 -1.227 25.615 1.00 0.00 H new ATOM 685 N VAL A 44 -10.354 -3.040 23.750 1.00 0.00 N ATOM 686 CA VAL A 44 -10.951 -4.272 23.156 1.00 0.00 C ATOM 687 C VAL A 44 -11.053 -5.377 24.218 1.00 0.00 C ATOM 688 O VAL A 44 -10.594 -6.481 24.009 1.00 0.00 O ATOM 689 CB VAL A 44 -9.980 -4.681 22.044 1.00 0.00 C ATOM 690 CG1 VAL A 44 -8.789 -5.420 22.651 1.00 0.00 C ATOM 691 CG2 VAL A 44 -10.688 -5.604 21.055 1.00 0.00 C ATOM 0 H VAL A 44 -9.802 -3.190 24.594 1.00 0.00 H new ATOM 0 HA VAL A 44 -11.959 -4.104 22.777 1.00 0.00 H new ATOM 0 HB VAL A 44 -9.634 -3.787 21.526 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -8.099 -5.710 21.859 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -8.277 -4.766 23.357 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -9.140 -6.311 23.171 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -9.994 -5.893 20.266 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -11.037 -6.496 21.575 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -11.539 -5.083 20.617 1.00 0.00 H new ATOM 753 N CYS A 48 -15.130 -5.265 22.051 1.00 0.00 N ATOM 754 CA CYS A 48 -14.419 -4.468 21.010 1.00 0.00 C ATOM 755 C CYS A 48 -14.972 -3.039 20.981 1.00 0.00 C ATOM 756 O CYS A 48 -16.158 -2.824 20.834 1.00 0.00 O ATOM 757 CB CYS A 48 -14.708 -5.185 19.691 1.00 0.00 C ATOM 758 SG CYS A 48 -13.387 -6.373 19.352 1.00 0.00 S ATOM 0 HA CYS A 48 -13.349 -4.394 21.202 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -15.668 -5.698 19.746 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -14.779 -4.461 18.879 1.00 0.00 H new ATOM 763 N SER A 49 -14.122 -2.063 21.130 1.00 0.00 N ATOM 764 CA SER A 49 -14.602 -0.651 21.124 1.00 0.00 C ATOM 765 C SER A 49 -15.200 -0.283 19.765 1.00 0.00 C ATOM 766 O SER A 49 -16.210 0.386 19.690 1.00 0.00 O ATOM 767 CB SER A 49 -13.358 0.188 21.406 1.00 0.00 C ATOM 768 OG SER A 49 -12.465 0.094 20.307 1.00 0.00 O ATOM 0 H SER A 49 -13.117 -2.180 21.256 1.00 0.00 H new ATOM 0 HA SER A 49 -15.388 -0.486 21.861 1.00 0.00 H new ATOM 0 HB2 SER A 49 -13.638 1.228 21.573 1.00 0.00 H new ATOM 0 HB3 SER A 49 -12.870 -0.161 22.316 1.00 0.00 H new ATOM 0 HG SER A 49 -11.739 -0.526 20.528 1.00 0.00 H new ATOM 774 N ASN A 50 -14.587 -0.706 18.694 1.00 0.00 N ATOM 775 CA ASN A 50 -15.121 -0.374 17.340 1.00 0.00 C ATOM 776 C ASN A 50 -16.271 -1.317 16.967 1.00 0.00 C ATOM 777 O ASN A 50 -16.045 -2.473 16.663 1.00 0.00 O ATOM 778 CB ASN A 50 -13.939 -0.576 16.395 1.00 0.00 C ATOM 779 CG ASN A 50 -13.087 0.692 16.372 1.00 0.00 C ATOM 780 OD1 ASN A 50 -13.041 1.426 17.340 1.00 0.00 O ATOM 781 ND2 ASN A 50 -12.404 0.984 15.301 1.00 0.00 N ATOM 0 H ASN A 50 -13.737 -1.269 18.697 1.00 0.00 H new ATOM 0 HA ASN A 50 -15.520 0.639 17.293 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -13.339 -1.425 16.722 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -14.296 -0.806 15.391 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -11.831 1.828 15.276 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -12.442 0.369 14.488 1.00 0.00 H new ATOM 788 N PRO A 51 -17.472 -0.794 16.993 1.00 0.00 N ATOM 789 CA PRO A 51 -18.661 -1.608 16.651 1.00 0.00 C ATOM 790 C PRO A 51 -18.561 -2.116 15.213 1.00 0.00 C ATOM 791 O PRO A 51 -19.266 -3.020 14.813 1.00 0.00 O ATOM 792 CB PRO A 51 -19.810 -0.606 16.801 1.00 0.00 C ATOM 793 CG PRO A 51 -19.227 0.756 17.225 1.00 0.00 C ATOM 794 CD PRO A 51 -17.704 0.626 17.350 1.00 0.00 C ATOM 0 HA PRO A 51 -18.781 -2.495 17.274 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -20.351 -0.509 15.860 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -20.524 -0.959 17.545 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -19.481 1.520 16.491 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -19.658 1.071 18.175 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -17.182 1.304 16.675 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -17.359 0.852 18.359 1.00 0.00 H new ATOM 802 N ASN A 52 -17.695 -1.535 14.428 1.00 0.00 N ATOM 803 CA ASN A 52 -17.563 -1.983 13.015 1.00 0.00 C ATOM 804 C ASN A 52 -16.104 -2.294 12.668 1.00 0.00 C ATOM 805 O ASN A 52 -15.662 -2.059 11.561 1.00 0.00 O ATOM 806 CB ASN A 52 -18.071 -0.807 12.183 1.00 0.00 C ATOM 807 CG ASN A 52 -19.543 -0.547 12.512 1.00 0.00 C ATOM 808 OD1 ASN A 52 -19.948 0.585 12.686 1.00 0.00 O ATOM 809 ND2 ASN A 52 -20.364 -1.556 12.608 1.00 0.00 N ATOM 0 H ASN A 52 -17.076 -0.773 14.704 1.00 0.00 H new ATOM 0 HA ASN A 52 -18.124 -2.899 12.827 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -17.478 0.083 12.392 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -17.957 -1.023 11.121 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -21.347 -1.395 12.829 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -20.023 -2.506 12.462 1.00 0.00 H new ATOM 816 N PHE A 53 -15.352 -2.844 13.586 1.00 0.00 N ATOM 817 CA PHE A 53 -13.937 -3.183 13.257 1.00 0.00 C ATOM 818 C PHE A 53 -13.922 -4.500 12.481 1.00 0.00 C ATOM 819 O PHE A 53 -14.943 -5.148 12.369 1.00 0.00 O ATOM 820 CB PHE A 53 -13.216 -3.325 14.605 1.00 0.00 C ATOM 821 CG PHE A 53 -13.371 -4.734 15.137 1.00 0.00 C ATOM 822 CD1 PHE A 53 -14.642 -5.313 15.233 1.00 0.00 C ATOM 823 CD2 PHE A 53 -12.240 -5.458 15.539 1.00 0.00 C ATOM 824 CE1 PHE A 53 -14.781 -6.615 15.729 1.00 0.00 C ATOM 825 CE2 PHE A 53 -12.381 -6.761 16.035 1.00 0.00 C ATOM 826 CZ PHE A 53 -13.652 -7.338 16.131 1.00 0.00 C ATOM 0 H PHE A 53 -15.651 -3.070 14.535 1.00 0.00 H new ATOM 0 HA PHE A 53 -13.449 -2.427 12.642 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -12.159 -3.088 14.487 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -13.624 -2.612 15.321 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -15.514 -4.756 14.925 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -11.259 -5.011 15.466 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -15.761 -7.062 15.802 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -11.509 -7.319 16.343 1.00 0.00 H new ATOM 0 HZ PHE A 53 -13.762 -8.341 16.515 1.00 0.00 H new ATOM 836 N PRO A 54 -12.776 -4.868 11.976 1.00 0.00 N ATOM 837 CA PRO A 54 -12.664 -6.132 11.222 1.00 0.00 C ATOM 838 C PRO A 54 -13.186 -7.282 12.080 1.00 0.00 C ATOM 839 O PRO A 54 -12.431 -8.048 12.644 1.00 0.00 O ATOM 840 CB PRO A 54 -11.157 -6.240 10.969 1.00 0.00 C ATOM 841 CG PRO A 54 -10.468 -5.003 11.580 1.00 0.00 C ATOM 842 CD PRO A 54 -11.548 -4.059 12.129 1.00 0.00 C ATOM 0 HA PRO A 54 -13.240 -6.165 10.298 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -10.762 -7.153 11.416 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -10.956 -6.296 9.899 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -9.789 -5.304 12.377 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -9.868 -4.493 10.826 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -11.364 -3.791 13.169 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -11.601 -3.128 11.564 1.00 0.00 H new ATOM 850 N GLU A 55 -14.482 -7.389 12.191 1.00 0.00 N ATOM 851 CA GLU A 55 -15.081 -8.468 13.022 1.00 0.00 C ATOM 852 C GLU A 55 -14.298 -9.767 12.839 1.00 0.00 C ATOM 853 O GLU A 55 -14.236 -10.591 13.729 1.00 0.00 O ATOM 854 CB GLU A 55 -16.512 -8.599 12.508 1.00 0.00 C ATOM 855 CG GLU A 55 -17.260 -9.638 13.344 1.00 0.00 C ATOM 856 CD GLU A 55 -18.668 -9.834 12.778 1.00 0.00 C ATOM 857 OE1 GLU A 55 -18.967 -9.226 11.763 1.00 0.00 O ATOM 858 OE2 GLU A 55 -19.423 -10.587 13.369 1.00 0.00 O ATOM 0 H GLU A 55 -15.155 -6.770 11.738 1.00 0.00 H new ATOM 0 HA GLU A 55 -15.057 -8.246 14.089 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -17.020 -7.636 12.565 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -16.507 -8.895 11.459 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -16.719 -10.584 13.336 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -17.317 -9.312 14.383 1.00 0.00 H new ATOM 865 N GLU A 56 -13.672 -9.949 11.707 1.00 0.00 N ATOM 866 CA GLU A 56 -12.867 -11.184 11.506 1.00 0.00 C ATOM 867 C GLU A 56 -11.890 -11.322 12.678 1.00 0.00 C ATOM 868 O GLU A 56 -11.362 -12.382 12.952 1.00 0.00 O ATOM 869 CB GLU A 56 -12.118 -10.968 10.191 1.00 0.00 C ATOM 870 CG GLU A 56 -13.125 -10.876 9.041 1.00 0.00 C ATOM 871 CD GLU A 56 -12.375 -10.774 7.712 1.00 0.00 C ATOM 872 OE1 GLU A 56 -11.163 -10.634 7.747 1.00 0.00 O ATOM 873 OE2 GLU A 56 -13.024 -10.838 6.681 1.00 0.00 O ATOM 0 H GLU A 56 -13.684 -9.300 10.920 1.00 0.00 H new ATOM 0 HA GLU A 56 -13.471 -12.091 11.465 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -11.525 -10.055 10.243 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -11.424 -11.790 10.016 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -13.772 -11.753 9.039 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -13.768 -10.006 9.175 1.00 0.00 H new ATOM 880 N LEU A 57 -11.672 -10.243 13.384 1.00 0.00 N ATOM 881 CA LEU A 57 -10.762 -10.278 14.561 1.00 0.00 C ATOM 882 C LEU A 57 -11.574 -10.617 15.813 1.00 0.00 C ATOM 883 O LEU A 57 -11.102 -10.505 16.929 1.00 0.00 O ATOM 884 CB LEU A 57 -10.180 -8.867 14.667 1.00 0.00 C ATOM 885 CG LEU A 57 -9.432 -8.515 13.379 1.00 0.00 C ATOM 886 CD1 LEU A 57 -8.893 -7.088 13.479 1.00 0.00 C ATOM 887 CD2 LEU A 57 -8.265 -9.482 13.181 1.00 0.00 C ATOM 0 H LEU A 57 -12.090 -9.333 13.192 1.00 0.00 H new ATOM 0 HA LEU A 57 -9.975 -11.026 14.461 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -10.979 -8.147 14.842 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -9.503 -8.806 15.519 1.00 0.00 H new ATOM 0 HG LEU A 57 -10.115 -8.592 12.533 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -8.360 -6.835 12.562 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -9.722 -6.395 13.619 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -8.212 -7.015 14.327 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -7.734 -9.229 12.263 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -7.582 -9.407 14.027 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -8.645 -10.501 13.111 1.00 0.00 H new ATOM 899 N LYS A 58 -12.804 -11.029 15.630 1.00 0.00 N ATOM 900 CA LYS A 58 -13.664 -11.378 16.794 1.00 0.00 C ATOM 901 C LYS A 58 -12.847 -12.124 17.852 1.00 0.00 C ATOM 902 O LYS A 58 -12.842 -11.738 19.004 1.00 0.00 O ATOM 903 CB LYS A 58 -14.770 -12.270 16.223 1.00 0.00 C ATOM 904 CG LYS A 58 -15.334 -13.164 17.329 1.00 0.00 C ATOM 905 CD LYS A 58 -16.850 -13.287 17.161 1.00 0.00 C ATOM 906 CE LYS A 58 -17.165 -14.475 16.250 1.00 0.00 C ATOM 907 NZ LYS A 58 -17.748 -15.506 17.154 1.00 0.00 N ATOM 0 H LYS A 58 -13.248 -11.138 14.718 1.00 0.00 H new ATOM 0 HA LYS A 58 -14.075 -10.495 17.284 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -15.564 -11.655 15.799 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -14.374 -12.883 15.413 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -14.871 -14.150 17.286 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -15.098 -12.744 18.307 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -17.325 -13.424 18.133 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -17.255 -12.370 16.734 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -17.867 -14.195 15.465 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -16.266 -14.844 15.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -17.991 -16.354 16.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -17.055 -15.757 17.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -18.606 -15.128 17.604 1.00 0.00 H new ATOM 921 N PRO A 59 -12.165 -13.162 17.435 1.00 0.00 N ATOM 922 CA PRO A 59 -11.334 -13.936 18.377 1.00 0.00 C ATOM 923 C PRO A 59 -10.371 -12.993 19.096 1.00 0.00 C ATOM 924 O PRO A 59 -10.222 -13.042 20.300 1.00 0.00 O ATOM 925 CB PRO A 59 -10.597 -14.912 17.454 1.00 0.00 C ATOM 926 CG PRO A 59 -11.055 -14.656 16.004 1.00 0.00 C ATOM 927 CD PRO A 59 -12.179 -13.612 16.021 1.00 0.00 C ATOM 0 HA PRO A 59 -11.892 -14.450 19.160 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -9.519 -14.774 17.541 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -10.811 -15.941 17.743 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -10.219 -14.302 15.401 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -11.406 -15.582 15.549 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -11.984 -12.792 15.330 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -13.140 -14.043 15.740 1.00 0.00 H new ATOM 935 N LEU A 60 -9.726 -12.121 18.368 1.00 0.00 N ATOM 936 CA LEU A 60 -8.789 -11.167 19.012 1.00 0.00 C ATOM 937 C LEU A 60 -9.475 -10.492 20.202 1.00 0.00 C ATOM 938 O LEU A 60 -8.943 -10.441 21.294 1.00 0.00 O ATOM 939 CB LEU A 60 -8.476 -10.144 17.920 1.00 0.00 C ATOM 940 CG LEU A 60 -7.388 -9.191 18.408 1.00 0.00 C ATOM 941 CD1 LEU A 60 -6.017 -9.835 18.197 1.00 0.00 C ATOM 942 CD2 LEU A 60 -7.464 -7.882 17.621 1.00 0.00 C ATOM 0 H LEU A 60 -9.810 -12.031 17.355 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.888 -11.648 19.394 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -8.148 -10.653 17.014 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -9.375 -9.584 17.663 1.00 0.00 H new ATOM 0 HG LEU A 60 -7.534 -8.984 19.468 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.239 -9.156 18.545 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.963 -10.767 18.759 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.871 -10.041 17.137 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -6.687 -7.202 17.970 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.318 -8.086 16.560 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -8.441 -7.423 17.771 1.00 0.00 H new ATOM 954 N CYS A 61 -10.659 -9.982 19.999 1.00 0.00 N ATOM 955 CA CYS A 61 -11.392 -9.313 21.110 1.00 0.00 C ATOM 956 C CYS A 61 -11.659 -10.299 22.250 1.00 0.00 C ATOM 957 O CYS A 61 -11.776 -9.917 23.398 1.00 0.00 O ATOM 958 CB CYS A 61 -12.710 -8.861 20.484 1.00 0.00 C ATOM 959 SG CYS A 61 -13.256 -7.320 21.259 1.00 0.00 S ATOM 0 H CYS A 61 -11.152 -10.000 19.106 1.00 0.00 H new ATOM 0 HA CYS A 61 -10.826 -8.485 21.537 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -12.583 -8.715 19.411 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -13.469 -9.633 20.613 1.00 0.00 H new ATOM 964 N LYS A 62 -11.766 -11.562 21.944 1.00 0.00 N ATOM 965 CA LYS A 62 -12.036 -12.563 23.013 1.00 0.00 C ATOM 966 C LYS A 62 -10.744 -12.926 23.748 1.00 0.00 C ATOM 967 O LYS A 62 -10.753 -13.701 24.684 1.00 0.00 O ATOM 968 CB LYS A 62 -12.598 -13.784 22.287 1.00 0.00 C ATOM 969 CG LYS A 62 -13.100 -14.799 23.317 1.00 0.00 C ATOM 970 CD LYS A 62 -13.775 -15.968 22.597 1.00 0.00 C ATOM 971 CE LYS A 62 -12.726 -16.760 21.813 1.00 0.00 C ATOM 972 NZ LYS A 62 -13.476 -17.358 20.672 1.00 0.00 N ATOM 0 H LYS A 62 -11.678 -11.944 21.002 1.00 0.00 H new ATOM 0 HA LYS A 62 -12.728 -12.180 23.763 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -13.412 -13.486 21.627 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -11.828 -14.235 21.660 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -12.268 -15.162 23.921 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -13.805 -14.323 23.999 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -14.270 -16.617 23.320 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -14.545 -15.597 21.921 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -11.922 -16.113 21.462 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -12.267 -17.531 22.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -12.826 -17.918 20.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -14.231 -17.974 21.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -13.896 -16.600 20.097 1.00 0.00 H new ATOM 986 N GLU A 63 -9.633 -12.377 23.339 1.00 0.00 N ATOM 987 CA GLU A 63 -8.351 -12.702 24.026 1.00 0.00 C ATOM 988 C GLU A 63 -7.648 -11.413 24.465 1.00 0.00 C ATOM 989 O GLU A 63 -7.717 -10.408 23.786 1.00 0.00 O ATOM 990 CB GLU A 63 -7.514 -13.437 22.977 1.00 0.00 C ATOM 991 CG GLU A 63 -7.479 -12.617 21.686 1.00 0.00 C ATOM 992 CD GLU A 63 -6.636 -13.346 20.639 1.00 0.00 C ATOM 993 OE1 GLU A 63 -5.436 -13.441 20.834 1.00 0.00 O ATOM 994 OE2 GLU A 63 -7.205 -13.797 19.659 1.00 0.00 O ATOM 0 H GLU A 63 -9.557 -11.720 22.562 1.00 0.00 H new ATOM 0 HA GLU A 63 -8.503 -13.305 24.921 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -6.501 -13.593 23.349 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -7.938 -14.422 22.783 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.491 -12.466 21.312 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -7.061 -11.630 21.881 1.00 0.00 H new ATOM 1001 N PRO A 64 -6.992 -11.484 25.596 1.00 0.00 N ATOM 1002 CA PRO A 64 -6.269 -10.310 26.138 1.00 0.00 C ATOM 1003 C PRO A 64 -5.153 -9.870 25.184 1.00 0.00 C ATOM 1004 O PRO A 64 -4.533 -8.842 25.372 1.00 0.00 O ATOM 1005 CB PRO A 64 -5.692 -10.848 27.451 1.00 0.00 C ATOM 1006 CG PRO A 64 -6.113 -12.323 27.610 1.00 0.00 C ATOM 1007 CD PRO A 64 -6.941 -12.737 26.386 1.00 0.00 C ATOM 0 HA PRO A 64 -6.901 -9.432 26.272 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -4.605 -10.764 27.449 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -6.056 -10.259 28.293 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -5.232 -12.959 27.702 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -6.697 -12.453 28.521 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -6.468 -13.548 25.831 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -7.937 -13.081 26.667 1.00 0.00 H new ATOM 1015 N ASN A 65 -4.881 -10.647 24.170 1.00 0.00 N ATOM 1016 CA ASN A 65 -3.794 -10.278 23.217 1.00 0.00 C ATOM 1017 C ASN A 65 -4.285 -9.224 22.218 1.00 0.00 C ATOM 1018 O ASN A 65 -3.500 -8.557 21.577 1.00 0.00 O ATOM 1019 CB ASN A 65 -3.445 -11.578 22.493 1.00 0.00 C ATOM 1020 CG ASN A 65 -2.975 -12.619 23.511 1.00 0.00 C ATOM 1021 OD1 ASN A 65 -3.360 -13.769 23.443 1.00 0.00 O ATOM 1022 ND2 ASN A 65 -2.152 -12.260 24.458 1.00 0.00 N ATOM 0 H ASN A 65 -5.364 -11.521 23.960 1.00 0.00 H new ATOM 0 HA ASN A 65 -2.933 -9.847 23.728 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -4.315 -11.950 21.952 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -2.664 -11.397 21.755 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -1.831 -12.945 25.142 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -1.829 -11.294 24.514 1.00 0.00 H new ATOM 1029 N ALA A 66 -5.573 -9.068 22.078 1.00 0.00 N ATOM 1030 CA ALA A 66 -6.092 -8.054 21.115 1.00 0.00 C ATOM 1031 C ALA A 66 -5.317 -6.745 21.268 1.00 0.00 C ATOM 1032 O ALA A 66 -4.992 -6.086 20.299 1.00 0.00 O ATOM 1033 CB ALA A 66 -7.559 -7.855 21.495 1.00 0.00 C ATOM 0 H ALA A 66 -6.285 -9.594 22.585 1.00 0.00 H new ATOM 0 HA ALA A 66 -5.983 -8.374 20.079 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -8.011 -7.120 20.829 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -8.090 -8.802 21.404 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -7.624 -7.500 22.524 1.00 0.00 H new ATOM 1039 N GLN A 67 -5.014 -6.366 22.477 1.00 0.00 N ATOM 1040 CA GLN A 67 -4.256 -5.102 22.695 1.00 0.00 C ATOM 1041 C GLN A 67 -2.844 -5.233 22.119 1.00 0.00 C ATOM 1042 O GLN A 67 -2.315 -4.311 21.532 1.00 0.00 O ATOM 1043 CB GLN A 67 -4.205 -4.928 24.212 1.00 0.00 C ATOM 1044 CG GLN A 67 -5.624 -4.715 24.745 1.00 0.00 C ATOM 1045 CD GLN A 67 -5.582 -4.575 26.268 1.00 0.00 C ATOM 1046 OE1 GLN A 67 -4.589 -4.892 26.892 1.00 0.00 O ATOM 1047 NE2 GLN A 67 -6.627 -4.109 26.895 1.00 0.00 N ATOM 0 H GLN A 67 -5.258 -6.877 23.325 1.00 0.00 H new ATOM 0 HA GLN A 67 -4.722 -4.247 22.205 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -3.758 -5.808 24.676 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -3.575 -4.077 24.471 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -6.061 -3.822 24.299 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -6.259 -5.555 24.464 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -7.460 -3.843 26.370 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -6.611 -4.011 27.910 1.00 0.00 H new ATOM 1056 N GLU A 68 -2.233 -6.377 22.271 1.00 0.00 N ATOM 1057 CA GLU A 68 -0.862 -6.567 21.718 1.00 0.00 C ATOM 1058 C GLU A 68 -0.948 -6.870 20.220 1.00 0.00 C ATOM 1059 O GLU A 68 -0.214 -6.323 19.421 1.00 0.00 O ATOM 1060 CB GLU A 68 -0.286 -7.759 22.480 1.00 0.00 C ATOM 1061 CG GLU A 68 -0.158 -7.401 23.962 1.00 0.00 C ATOM 1062 CD GLU A 68 0.781 -6.203 24.118 1.00 0.00 C ATOM 1063 OE1 GLU A 68 1.509 -5.920 23.181 1.00 0.00 O ATOM 1064 OE2 GLU A 68 0.756 -5.590 25.172 1.00 0.00 O ATOM 0 H GLU A 68 -2.623 -7.187 22.753 1.00 0.00 H new ATOM 0 HA GLU A 68 -0.238 -5.681 21.831 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.932 -8.629 22.359 1.00 0.00 H new ATOM 0 HB3 GLU A 68 0.689 -8.028 22.074 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -1.138 -7.165 24.376 1.00 0.00 H new ATOM 0 HG3 GLU A 68 0.227 -8.254 24.521 1.00 0.00 H new ATOM 1071 N ILE A 69 -1.846 -7.738 19.836 1.00 0.00 N ATOM 1072 CA ILE A 69 -1.988 -8.075 18.391 1.00 0.00 C ATOM 1073 C ILE A 69 -2.428 -6.836 17.608 1.00 0.00 C ATOM 1074 O ILE A 69 -1.938 -6.565 16.529 1.00 0.00 O ATOM 1075 CB ILE A 69 -3.073 -9.149 18.332 1.00 0.00 C ATOM 1076 CG1 ILE A 69 -2.653 -10.361 19.166 1.00 0.00 C ATOM 1077 CG2 ILE A 69 -3.276 -9.579 16.877 1.00 0.00 C ATOM 1078 CD1 ILE A 69 -3.738 -11.438 19.079 1.00 0.00 C ATOM 0 H ILE A 69 -2.487 -8.228 20.461 1.00 0.00 H new ATOM 0 HA ILE A 69 -1.050 -8.421 17.956 1.00 0.00 H new ATOM 0 HB ILE A 69 -4.003 -8.745 18.732 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.704 -10.755 18.803 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -2.500 -10.067 20.204 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.049 -10.346 16.829 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -3.581 -8.718 16.282 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -2.342 -9.980 16.483 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -3.441 -12.303 19.673 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -4.677 -11.040 19.463 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -3.869 -11.739 18.040 1.00 0.00 H new ATOM 1090 N LEU A 70 -3.348 -6.084 18.146 1.00 0.00 N ATOM 1091 CA LEU A 70 -3.819 -4.861 17.437 1.00 0.00 C ATOM 1092 C LEU A 70 -2.623 -3.990 17.051 1.00 0.00 C ATOM 1093 O LEU A 70 -2.459 -3.615 15.906 1.00 0.00 O ATOM 1094 CB LEU A 70 -4.713 -4.136 18.447 1.00 0.00 C ATOM 1095 CG LEU A 70 -5.161 -2.788 17.871 1.00 0.00 C ATOM 1096 CD1 LEU A 70 -4.033 -1.765 18.025 1.00 0.00 C ATOM 1097 CD2 LEU A 70 -5.503 -2.949 16.388 1.00 0.00 C ATOM 0 H LEU A 70 -3.794 -6.263 19.046 1.00 0.00 H new ATOM 0 HA LEU A 70 -4.355 -5.093 16.517 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.583 -4.749 18.682 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.171 -3.981 19.380 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.043 -2.442 18.410 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -4.352 -0.807 17.615 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -3.792 -1.646 19.081 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.150 -2.113 17.488 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -5.821 -1.989 15.982 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.623 -3.298 15.848 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.309 -3.675 16.277 1.00 0.00 H new ATOM 1109 N GLN A 71 -1.780 -3.672 17.994 1.00 0.00 N ATOM 1110 CA GLN A 71 -0.589 -2.833 17.679 1.00 0.00 C ATOM 1111 C GLN A 71 0.047 -3.295 16.368 1.00 0.00 C ATOM 1112 O GLN A 71 0.260 -2.518 15.458 1.00 0.00 O ATOM 1113 CB GLN A 71 0.370 -3.068 18.846 1.00 0.00 C ATOM 1114 CG GLN A 71 1.500 -2.038 18.800 1.00 0.00 C ATOM 1115 CD GLN A 71 2.508 -2.340 19.910 1.00 0.00 C ATOM 1116 OE1 GLN A 71 3.072 -3.415 19.959 1.00 0.00 O ATOM 1117 NE2 GLN A 71 2.760 -1.429 20.810 1.00 0.00 N ATOM 0 H GLN A 71 -1.864 -3.957 18.970 1.00 0.00 H new ATOM 0 HA GLN A 71 -0.842 -1.780 17.558 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -0.167 -2.991 19.792 1.00 0.00 H new ATOM 0 HB3 GLN A 71 0.781 -4.076 18.794 1.00 0.00 H new ATOM 0 HG2 GLN A 71 1.993 -2.066 17.828 1.00 0.00 H new ATOM 0 HG3 GLN A 71 1.096 -1.033 18.924 1.00 0.00 H new ATOM 0 HE21 GLN A 71 2.286 -0.527 20.769 1.00 0.00 H new ATOM 0 HE22 GLN A 71 3.431 -1.619 21.555 1.00 0.00 H new ATOM 1126 N ARG A 72 0.356 -4.558 16.269 1.00 0.00 N ATOM 1127 CA ARG A 72 0.985 -5.082 15.025 1.00 0.00 C ATOM 1128 C ARG A 72 0.078 -4.834 13.815 1.00 0.00 C ATOM 1129 O ARG A 72 0.498 -4.273 12.822 1.00 0.00 O ATOM 1130 CB ARG A 72 1.157 -6.580 15.278 1.00 0.00 C ATOM 1131 CG ARG A 72 2.080 -6.789 16.481 1.00 0.00 C ATOM 1132 CD ARG A 72 2.337 -8.284 16.675 1.00 0.00 C ATOM 1133 NE ARG A 72 3.096 -8.380 17.954 1.00 0.00 N ATOM 1134 CZ ARG A 72 2.836 -9.343 18.796 1.00 0.00 C ATOM 1135 NH1 ARG A 72 2.613 -10.552 18.357 1.00 0.00 N ATOM 1136 NH2 ARG A 72 2.803 -9.099 20.077 1.00 0.00 N ATOM 0 H ARG A 72 0.199 -5.252 16.999 1.00 0.00 H new ATOM 0 HA ARG A 72 1.933 -4.592 14.803 1.00 0.00 H new ATOM 0 HB2 ARG A 72 0.188 -7.042 15.465 1.00 0.00 H new ATOM 0 HB3 ARG A 72 1.576 -7.063 14.396 1.00 0.00 H new ATOM 0 HG2 ARG A 72 3.023 -6.265 16.325 1.00 0.00 H new ATOM 0 HG3 ARG A 72 1.626 -6.368 17.378 1.00 0.00 H new ATOM 0 HD2 ARG A 72 1.402 -8.842 16.728 1.00 0.00 H new ATOM 0 HD3 ARG A 72 2.909 -8.698 15.844 1.00 0.00 H new ATOM 0 HE ARG A 72 3.818 -7.693 18.171 1.00 0.00 H new ATOM 0 HH11 ARG A 72 2.642 -10.744 17.356 1.00 0.00 H new ATOM 0 HH12 ARG A 72 2.410 -11.304 19.015 1.00 0.00 H new ATOM 0 HH21 ARG A 72 2.980 -8.155 20.421 1.00 0.00 H new ATOM 0 HH22 ARG A 72 2.600 -9.852 20.734 1.00 0.00 H new ATOM 1150 N LEU A 73 -1.159 -5.249 13.883 1.00 0.00 N ATOM 1151 CA LEU A 73 -2.076 -5.031 12.726 1.00 0.00 C ATOM 1152 C LEU A 73 -2.030 -3.567 12.286 1.00 0.00 C ATOM 1153 O LEU A 73 -1.764 -3.261 11.141 1.00 0.00 O ATOM 1154 CB LEU A 73 -3.475 -5.386 13.237 1.00 0.00 C ATOM 1155 CG LEU A 73 -3.485 -6.825 13.755 1.00 0.00 C ATOM 1156 CD1 LEU A 73 -4.910 -7.208 14.157 1.00 0.00 C ATOM 1157 CD2 LEU A 73 -2.999 -7.767 12.652 1.00 0.00 C ATOM 0 H LEU A 73 -1.572 -5.726 14.684 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.794 -5.638 11.866 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.767 -4.701 14.033 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -4.205 -5.273 12.436 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.826 -6.906 14.619 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -4.921 -8.233 14.527 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -5.260 -6.536 14.941 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -5.566 -7.128 13.291 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -3.006 -8.793 13.020 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -3.659 -7.687 11.788 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.985 -7.493 12.360 1.00 0.00 H new ATOM 1169 N GLU A 74 -2.291 -2.662 13.187 1.00 0.00 N ATOM 1170 CA GLU A 74 -2.265 -1.218 12.821 1.00 0.00 C ATOM 1171 C GLU A 74 -0.920 -0.851 12.187 1.00 0.00 C ATOM 1172 O GLU A 74 -0.866 -0.255 11.128 1.00 0.00 O ATOM 1173 CB GLU A 74 -2.454 -0.475 14.142 1.00 0.00 C ATOM 1174 CG GLU A 74 -3.720 -0.984 14.834 1.00 0.00 C ATOM 1175 CD GLU A 74 -4.265 0.103 15.764 1.00 0.00 C ATOM 1176 OE1 GLU A 74 -3.494 0.966 16.149 1.00 0.00 O ATOM 1177 OE2 GLU A 74 -5.444 0.053 16.074 1.00 0.00 O ATOM 0 H GLU A 74 -2.521 -2.859 14.161 1.00 0.00 H new ATOM 0 HA GLU A 74 -3.035 -0.964 12.093 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.588 -0.628 14.786 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -2.531 0.597 13.961 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -4.471 -1.252 14.091 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -3.498 -1.887 15.403 1.00 0.00 H new ATOM 1184 N GLU A 75 0.166 -1.198 12.824 1.00 0.00 N ATOM 1185 CA GLU A 75 1.505 -0.863 12.258 1.00 0.00 C ATOM 1186 C GLU A 75 1.627 -1.390 10.827 1.00 0.00 C ATOM 1187 O GLU A 75 1.936 -0.655 9.910 1.00 0.00 O ATOM 1188 CB GLU A 75 2.502 -1.566 13.178 1.00 0.00 C ATOM 1189 CG GLU A 75 3.926 -1.163 12.792 1.00 0.00 C ATOM 1190 CD GLU A 75 4.925 -1.937 13.654 1.00 0.00 C ATOM 1191 OE1 GLU A 75 4.482 -2.743 14.456 1.00 0.00 O ATOM 1192 OE2 GLU A 75 6.113 -1.712 13.496 1.00 0.00 O ATOM 0 H GLU A 75 0.184 -1.699 13.712 1.00 0.00 H new ATOM 0 HA GLU A 75 1.678 0.212 12.210 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.306 -1.298 14.216 1.00 0.00 H new ATOM 0 HB3 GLU A 75 2.385 -2.647 13.100 1.00 0.00 H new ATOM 0 HG2 GLU A 75 4.101 -1.372 11.737 1.00 0.00 H new ATOM 0 HG3 GLU A 75 4.063 -0.091 12.932 1.00 0.00 H new ATOM 1199 N ILE A 76 1.386 -2.657 10.624 1.00 0.00 N ATOM 1200 CA ILE A 76 1.488 -3.217 9.247 1.00 0.00 C ATOM 1201 C ILE A 76 0.473 -2.530 8.334 1.00 0.00 C ATOM 1202 O ILE A 76 0.721 -2.311 7.164 1.00 0.00 O ATOM 1203 CB ILE A 76 1.162 -4.702 9.395 1.00 0.00 C ATOM 1204 CG1 ILE A 76 2.184 -5.355 10.326 1.00 0.00 C ATOM 1205 CG2 ILE A 76 1.219 -5.376 8.021 1.00 0.00 C ATOM 1206 CD1 ILE A 76 1.838 -6.834 10.507 1.00 0.00 C ATOM 0 H ILE A 76 1.124 -3.325 11.349 1.00 0.00 H new ATOM 0 HA ILE A 76 2.473 -3.064 8.806 1.00 0.00 H new ATOM 0 HB ILE A 76 0.162 -4.816 9.814 1.00 0.00 H new ATOM 0 HG12 ILE A 76 3.187 -5.253 9.911 1.00 0.00 H new ATOM 0 HG13 ILE A 76 2.186 -4.850 11.292 1.00 0.00 H new ATOM 0 HG21 ILE A 76 0.987 -6.436 8.126 1.00 0.00 H new ATOM 0 HG22 ILE A 76 0.492 -4.909 7.356 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.219 -5.264 7.602 1.00 0.00 H new ATOM 0 HD11 ILE A 76 2.567 -7.300 11.171 1.00 0.00 H new ATOM 0 HD12 ILE A 76 0.842 -6.924 10.941 1.00 0.00 H new ATOM 0 HD13 ILE A 76 1.858 -7.334 9.538 1.00 0.00 H new ATOM 1218 N ALA A 77 -0.667 -2.179 8.863 1.00 0.00 N ATOM 1219 CA ALA A 77 -1.695 -1.497 8.031 1.00 0.00 C ATOM 1220 C ALA A 77 -1.102 -0.224 7.424 1.00 0.00 C ATOM 1221 O ALA A 77 -1.420 0.155 6.313 1.00 0.00 O ATOM 1222 CB ALA A 77 -2.828 -1.155 9.000 1.00 0.00 C ATOM 0 H ALA A 77 -0.930 -2.336 9.836 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.045 -2.117 7.205 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -3.628 -0.648 8.460 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -3.215 -2.072 9.445 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -2.450 -0.502 9.786 1.00 0.00 H new ATOM 1228 N GLU A 78 -0.239 0.436 8.145 1.00 0.00 N ATOM 1229 CA GLU A 78 0.380 1.682 7.613 1.00 0.00 C ATOM 1230 C GLU A 78 1.154 1.378 6.327 1.00 0.00 C ATOM 1231 O GLU A 78 1.114 2.132 5.375 1.00 0.00 O ATOM 1232 CB GLU A 78 1.329 2.155 8.715 1.00 0.00 C ATOM 1233 CG GLU A 78 1.908 3.520 8.340 1.00 0.00 C ATOM 1234 CD GLU A 78 2.929 3.949 9.395 1.00 0.00 C ATOM 1235 OE1 GLU A 78 3.145 3.189 10.326 1.00 0.00 O ATOM 1236 OE2 GLU A 78 3.478 5.030 9.255 1.00 0.00 O ATOM 0 H GLU A 78 0.065 0.166 9.081 1.00 0.00 H new ATOM 0 HA GLU A 78 -0.362 2.440 7.364 1.00 0.00 H new ATOM 0 HB2 GLU A 78 0.797 2.222 9.664 1.00 0.00 H new ATOM 0 HB3 GLU A 78 2.133 1.432 8.852 1.00 0.00 H new ATOM 0 HG2 GLU A 78 2.382 3.469 7.360 1.00 0.00 H new ATOM 0 HG3 GLU A 78 1.110 4.259 8.270 1.00 0.00 H new ATOM 1243 N ASP A 79 1.859 0.279 6.292 1.00 0.00 N ATOM 1244 CA ASP A 79 2.636 -0.072 5.067 1.00 0.00 C ATOM 1245 C ASP A 79 2.824 -1.588 4.975 1.00 0.00 C ATOM 1246 O ASP A 79 2.704 -2.290 5.960 1.00 0.00 O ATOM 1247 CB ASP A 79 3.988 0.622 5.237 1.00 0.00 C ATOM 1248 CG ASP A 79 4.473 0.454 6.679 1.00 0.00 C ATOM 1249 OD1 ASP A 79 4.693 -0.676 7.081 1.00 0.00 O ATOM 1250 OD2 ASP A 79 4.617 1.458 7.356 1.00 0.00 O ATOM 0 H ASP A 79 1.931 -0.391 7.058 1.00 0.00 H new ATOM 0 HA ASP A 79 2.128 0.243 4.156 1.00 0.00 H new ATOM 0 HB2 ASP A 79 4.716 0.197 4.546 1.00 0.00 H new ATOM 0 HB3 ASP A 79 3.898 1.681 4.994 1.00 0.00 H new ATOM 1255 N PRO A 80 3.122 -2.043 3.788 1.00 0.00 N ATOM 1256 CA PRO A 80 3.339 -3.489 3.551 1.00 0.00 C ATOM 1257 C PRO A 80 4.503 -4.003 4.399 1.00 0.00 C ATOM 1258 O PRO A 80 4.342 -4.893 5.210 1.00 0.00 O ATOM 1259 CB PRO A 80 3.674 -3.537 2.057 1.00 0.00 C ATOM 1260 CG PRO A 80 3.635 -2.103 1.492 1.00 0.00 C ATOM 1261 CD PRO A 80 3.258 -1.137 2.624 1.00 0.00 C ATOM 0 HA PRO A 80 2.486 -4.112 3.818 1.00 0.00 H new ATOM 0 HB2 PRO A 80 4.660 -3.976 1.905 1.00 0.00 H new ATOM 0 HB3 PRO A 80 2.960 -4.170 1.530 1.00 0.00 H new ATOM 0 HG2 PRO A 80 4.606 -1.835 1.074 1.00 0.00 H new ATOM 0 HG3 PRO A 80 2.910 -2.036 0.681 1.00 0.00 H new ATOM 0 HD2 PRO A 80 4.027 -0.382 2.786 1.00 0.00 H new ATOM 0 HD3 PRO A 80 2.330 -0.607 2.412 1.00 0.00 H new ATOM 1269 N GLY A 81 5.674 -3.460 4.220 1.00 0.00 N ATOM 1270 CA GLY A 81 6.837 -3.933 5.020 1.00 0.00 C ATOM 1271 C GLY A 81 7.314 -5.274 4.463 1.00 0.00 C ATOM 1272 O GLY A 81 7.355 -5.481 3.266 1.00 0.00 O ATOM 0 H GLY A 81 5.876 -2.712 3.557 1.00 0.00 H new ATOM 0 HA2 GLY A 81 7.644 -3.201 4.980 1.00 0.00 H new ATOM 0 HA3 GLY A 81 6.555 -4.040 6.067 1.00 0.00 H new ATOM 1276 N THR A 82 7.677 -6.186 5.320 1.00 0.00 N ATOM 1277 CA THR A 82 8.150 -7.513 4.839 1.00 0.00 C ATOM 1278 C THR A 82 6.954 -8.418 4.525 1.00 0.00 C ATOM 1279 O THR A 82 7.059 -9.366 3.773 1.00 0.00 O ATOM 1280 CB THR A 82 8.967 -8.081 5.999 1.00 0.00 C ATOM 1281 OG1 THR A 82 8.118 -8.278 7.121 1.00 0.00 O ATOM 1282 CG2 THR A 82 10.083 -7.102 6.364 1.00 0.00 C ATOM 0 H THR A 82 7.667 -6.070 6.333 1.00 0.00 H new ATOM 0 HA THR A 82 8.738 -7.439 3.924 1.00 0.00 H new ATOM 0 HB THR A 82 9.406 -9.034 5.705 1.00 0.00 H new ATOM 0 HG1 THR A 82 8.518 -7.859 7.912 1.00 0.00 H new ATOM 0 HG21 THR A 82 10.666 -7.507 7.191 1.00 0.00 H new ATOM 0 HG22 THR A 82 10.732 -6.953 5.501 1.00 0.00 H new ATOM 0 HG23 THR A 82 9.647 -6.148 6.660 1.00 0.00 H new ATOM 1290 N CYS A 83 5.817 -8.132 5.098 1.00 0.00 N ATOM 1291 CA CYS A 83 4.623 -8.981 4.827 1.00 0.00 C ATOM 1292 C CYS A 83 4.364 -9.042 3.319 1.00 0.00 C ATOM 1293 O CYS A 83 4.184 -10.100 2.749 1.00 0.00 O ATOM 1294 CB CYS A 83 3.466 -8.293 5.552 1.00 0.00 C ATOM 1295 SG CYS A 83 2.161 -9.498 5.891 1.00 0.00 S ATOM 0 H CYS A 83 5.664 -7.353 5.738 1.00 0.00 H new ATOM 0 HA CYS A 83 4.753 -10.007 5.171 1.00 0.00 H new ATOM 0 HB2 CYS A 83 3.819 -7.852 6.484 1.00 0.00 H new ATOM 0 HB3 CYS A 83 3.074 -7.479 4.942 1.00 0.00 H new ATOM 1300 N GLU A 84 4.345 -7.913 2.669 1.00 0.00 N ATOM 1301 CA GLU A 84 4.094 -7.901 1.199 1.00 0.00 C ATOM 1302 C GLU A 84 5.157 -8.720 0.458 1.00 0.00 C ATOM 1303 O GLU A 84 4.886 -9.316 -0.566 1.00 0.00 O ATOM 1304 CB GLU A 84 4.184 -6.430 0.797 1.00 0.00 C ATOM 1305 CG GLU A 84 3.812 -6.282 -0.680 1.00 0.00 C ATOM 1306 CD GLU A 84 4.039 -4.834 -1.120 1.00 0.00 C ATOM 1307 OE1 GLU A 84 4.525 -4.059 -0.313 1.00 0.00 O ATOM 1308 OE2 GLU A 84 3.723 -4.525 -2.258 1.00 0.00 O ATOM 0 H GLU A 84 4.492 -6.996 3.091 1.00 0.00 H new ATOM 0 HA GLU A 84 3.129 -8.342 0.948 1.00 0.00 H new ATOM 0 HB2 GLU A 84 3.514 -5.832 1.414 1.00 0.00 H new ATOM 0 HB3 GLU A 84 5.193 -6.056 0.968 1.00 0.00 H new ATOM 0 HG2 GLU A 84 4.415 -6.957 -1.287 1.00 0.00 H new ATOM 0 HG3 GLU A 84 2.769 -6.561 -0.833 1.00 0.00 H new ATOM 1315 N ILE A 85 6.364 -8.753 0.956 1.00 0.00 N ATOM 1316 CA ILE A 85 7.428 -9.532 0.261 1.00 0.00 C ATOM 1317 C ILE A 85 7.616 -10.895 0.935 1.00 0.00 C ATOM 1318 O ILE A 85 8.551 -11.616 0.650 1.00 0.00 O ATOM 1319 CB ILE A 85 8.695 -8.682 0.387 1.00 0.00 C ATOM 1320 CG1 ILE A 85 9.196 -8.715 1.830 1.00 0.00 C ATOM 1321 CG2 ILE A 85 8.379 -7.237 -0.008 1.00 0.00 C ATOM 1322 CD1 ILE A 85 10.275 -7.647 2.020 1.00 0.00 C ATOM 0 H ILE A 85 6.658 -8.277 1.809 1.00 0.00 H new ATOM 0 HA ILE A 85 7.179 -9.730 -0.781 1.00 0.00 H new ATOM 0 HB ILE A 85 9.465 -9.082 -0.272 1.00 0.00 H new ATOM 0 HG12 ILE A 85 8.369 -8.538 2.517 1.00 0.00 H new ATOM 0 HG13 ILE A 85 9.599 -9.700 2.064 1.00 0.00 H new ATOM 0 HG21 ILE A 85 9.280 -6.630 0.081 1.00 0.00 H new ATOM 0 HG22 ILE A 85 8.024 -7.211 -1.038 1.00 0.00 H new ATOM 0 HG23 ILE A 85 7.607 -6.840 0.652 1.00 0.00 H new ATOM 0 HD11 ILE A 85 10.633 -7.670 3.049 1.00 0.00 H new ATOM 0 HD12 ILE A 85 11.106 -7.845 1.343 1.00 0.00 H new ATOM 0 HD13 ILE A 85 9.856 -6.664 1.804 1.00 0.00 H new ATOM 1334 N CYS A 86 6.729 -11.254 1.823 1.00 0.00 N ATOM 1335 CA CYS A 86 6.849 -12.571 2.512 1.00 0.00 C ATOM 1336 C CYS A 86 8.201 -12.688 3.221 1.00 0.00 C ATOM 1337 O CYS A 86 8.627 -13.764 3.588 1.00 0.00 O ATOM 1338 CB CYS A 86 6.740 -13.612 1.398 1.00 0.00 C ATOM 1339 SG CYS A 86 5.000 -13.835 0.954 1.00 0.00 S ATOM 0 H CYS A 86 5.925 -10.691 2.102 1.00 0.00 H new ATOM 0 HA CYS A 86 6.082 -12.703 3.275 1.00 0.00 H new ATOM 0 HB2 CYS A 86 7.311 -13.290 0.527 1.00 0.00 H new ATOM 0 HB3 CYS A 86 7.167 -14.559 1.727 1.00 0.00 H new ATOM 1344 N ALA A 87 8.880 -11.591 3.420 1.00 0.00 N ATOM 1345 CA ALA A 87 10.201 -11.656 4.109 1.00 0.00 C ATOM 1346 C ALA A 87 10.028 -12.229 5.518 1.00 0.00 C ATOM 1347 O ALA A 87 10.969 -12.690 6.132 1.00 0.00 O ATOM 1348 CB ALA A 87 10.689 -10.208 4.173 1.00 0.00 C ATOM 0 H ALA A 87 8.580 -10.658 3.137 1.00 0.00 H new ATOM 0 HA ALA A 87 10.910 -12.299 3.587 1.00 0.00 H new ATOM 0 HB1 ALA A 87 11.659 -10.173 4.668 1.00 0.00 H new ATOM 0 HB2 ALA A 87 10.783 -9.811 3.162 1.00 0.00 H new ATOM 0 HB3 ALA A 87 9.973 -9.607 4.734 1.00 0.00 H new ATOM 1354 N TYR A 88 8.827 -12.207 6.032 1.00 0.00 N ATOM 1355 CA TYR A 88 8.589 -12.752 7.400 1.00 0.00 C ATOM 1356 C TYR A 88 7.262 -13.516 7.441 1.00 0.00 C ATOM 1357 O TYR A 88 6.543 -13.586 6.465 1.00 0.00 O ATOM 1358 CB TYR A 88 8.526 -11.527 8.312 1.00 0.00 C ATOM 1359 CG TYR A 88 9.921 -11.156 8.757 1.00 0.00 C ATOM 1360 CD1 TYR A 88 10.660 -12.038 9.556 1.00 0.00 C ATOM 1361 CD2 TYR A 88 10.475 -9.930 8.371 1.00 0.00 C ATOM 1362 CE1 TYR A 88 11.954 -11.691 9.968 1.00 0.00 C ATOM 1363 CE2 TYR A 88 11.767 -9.585 8.782 1.00 0.00 C ATOM 1364 CZ TYR A 88 12.507 -10.465 9.581 1.00 0.00 C ATOM 1365 OH TYR A 88 13.781 -10.122 9.986 1.00 0.00 O ATOM 0 H TYR A 88 8.001 -11.835 5.564 1.00 0.00 H new ATOM 0 HA TYR A 88 9.369 -13.449 7.706 1.00 0.00 H new ATOM 0 HB2 TYR A 88 8.067 -10.691 7.784 1.00 0.00 H new ATOM 0 HB3 TYR A 88 7.901 -11.738 9.179 1.00 0.00 H new ATOM 0 HD1 TYR A 88 10.233 -12.984 9.854 1.00 0.00 H new ATOM 0 HD2 TYR A 88 9.905 -9.250 7.756 1.00 0.00 H new ATOM 0 HE1 TYR A 88 12.525 -12.370 10.584 1.00 0.00 H new ATOM 0 HE2 TYR A 88 12.194 -8.639 8.483 1.00 0.00 H new ATOM 0 HH TYR A 88 14.011 -9.239 9.629 1.00 0.00 H new ATOM 1375 N ALA A 89 6.936 -14.090 8.565 1.00 0.00 N ATOM 1376 CA ALA A 89 5.658 -14.852 8.673 1.00 0.00 C ATOM 1377 C ALA A 89 4.469 -13.889 8.752 1.00 0.00 C ATOM 1378 O ALA A 89 3.333 -14.298 8.876 1.00 0.00 O ATOM 1379 CB ALA A 89 5.787 -15.651 9.970 1.00 0.00 C ATOM 0 H ALA A 89 7.499 -14.065 9.415 1.00 0.00 H new ATOM 0 HA ALA A 89 5.486 -15.495 7.810 1.00 0.00 H new ATOM 0 HB1 ALA A 89 4.884 -16.242 10.125 1.00 0.00 H new ATOM 0 HB2 ALA A 89 6.649 -16.315 9.904 1.00 0.00 H new ATOM 0 HB3 ALA A 89 5.920 -14.966 10.807 1.00 0.00 H new ATOM 1385 N ALA A 90 4.724 -12.611 8.685 1.00 0.00 N ATOM 1386 CA ALA A 90 3.611 -11.620 8.759 1.00 0.00 C ATOM 1387 C ALA A 90 2.598 -11.860 7.635 1.00 0.00 C ATOM 1388 O ALA A 90 1.402 -11.768 7.835 1.00 0.00 O ATOM 1389 CB ALA A 90 4.284 -10.258 8.586 1.00 0.00 C ATOM 0 H ALA A 90 5.656 -12.209 8.582 1.00 0.00 H new ATOM 0 HA ALA A 90 3.061 -11.693 9.697 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.530 -9.472 8.629 1.00 0.00 H new ATOM 0 HB2 ALA A 90 5.011 -10.107 9.384 1.00 0.00 H new ATOM 0 HB3 ALA A 90 4.791 -10.223 7.622 1.00 0.00 H new ATOM 1395 N CYS A 91 3.065 -12.158 6.454 1.00 0.00 N ATOM 1396 CA CYS A 91 2.125 -12.390 5.318 1.00 0.00 C ATOM 1397 C CYS A 91 2.162 -13.853 4.872 1.00 0.00 C ATOM 1398 O CYS A 91 3.198 -14.377 4.513 1.00 0.00 O ATOM 1399 CB CYS A 91 2.635 -11.486 4.200 1.00 0.00 C ATOM 1400 SG CYS A 91 1.622 -9.989 4.122 1.00 0.00 S ATOM 0 H CYS A 91 4.055 -12.251 6.225 1.00 0.00 H new ATOM 0 HA CYS A 91 1.093 -12.173 5.593 1.00 0.00 H new ATOM 0 HB2 CYS A 91 3.678 -11.223 4.378 1.00 0.00 H new ATOM 0 HB3 CYS A 91 2.598 -12.013 3.247 1.00 0.00 H new ATOM 1405 N THR A 92 1.038 -14.515 4.889 1.00 0.00 N ATOM 1406 CA THR A 92 1.006 -15.942 4.462 1.00 0.00 C ATOM 1407 C THR A 92 0.372 -16.066 3.074 1.00 0.00 C ATOM 1408 O THR A 92 -0.079 -15.096 2.498 1.00 0.00 O ATOM 1409 CB THR A 92 0.148 -16.646 5.512 1.00 0.00 C ATOM 1410 OG1 THR A 92 -1.211 -16.266 5.342 1.00 0.00 O ATOM 1411 CG2 THR A 92 0.625 -16.243 6.907 1.00 0.00 C ATOM 0 H THR A 92 0.140 -14.129 5.180 1.00 0.00 H new ATOM 0 HA THR A 92 2.003 -16.377 4.392 1.00 0.00 H new ATOM 0 HB THR A 92 0.238 -17.726 5.397 1.00 0.00 H new ATOM 0 HG1 THR A 92 -1.763 -16.718 6.014 1.00 0.00 H new ATOM 0 HG21 THR A 92 0.015 -16.744 7.659 1.00 0.00 H new ATOM 0 HG22 THR A 92 1.668 -16.534 7.033 1.00 0.00 H new ATOM 0 HG23 THR A 92 0.533 -15.163 7.025 1.00 0.00 H new ATOM 1419 N GLY A 93 0.341 -17.252 2.530 1.00 0.00 N ATOM 1420 CA GLY A 93 -0.258 -17.436 1.177 1.00 0.00 C ATOM 1421 C GLY A 93 0.856 -17.414 0.128 1.00 0.00 C ATOM 1422 O GLY A 93 0.631 -17.665 -1.039 1.00 0.00 O ATOM 0 H GLY A 93 0.704 -18.101 2.963 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -0.799 -18.381 1.131 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -0.980 -16.645 0.975 1.00 0.00 H new ATOM 1426 N CYS A 94 2.057 -17.113 0.539 1.00 0.00 N ATOM 1427 CA CYS A 94 3.190 -17.071 -0.429 1.00 0.00 C ATOM 1428 C CYS A 94 3.854 -18.447 -0.526 1.00 0.00 C ATOM 1429 O CYS A 94 3.344 -19.374 0.080 1.00 0.00 O ATOM 1430 CB CYS A 94 4.162 -16.044 0.149 1.00 0.00 C ATOM 1431 SG CYS A 94 3.498 -14.379 -0.099 1.00 0.00 S ATOM 1432 OXT CYS A 94 4.861 -18.550 -1.207 1.00 0.00 O ATOM 0 H CYS A 94 2.303 -16.894 1.504 1.00 0.00 H new ATOM 0 HA CYS A 94 2.866 -16.805 -1.435 1.00 0.00 H new ATOM 0 HB2 CYS A 94 4.316 -16.231 1.212 1.00 0.00 H new ATOM 0 HB3 CYS A 94 5.134 -16.135 -0.335 1.00 0.00 H new