USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 494 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot -178:sc= -1.8 USER MOD Single : A 24 GLN : amide:sc= -0.649 X(o=-0.65,f=-0.65) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=-0.087) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 165:sc= 0.0468 USER MOD Single : A 35 SER OG : rot 180:sc= 0.06 USER MOD Single : A 37 GLN : amide:sc= -0.332 K(o=-0.33,f=-2.2!) USER MOD Single : A 40 GLN : amide:sc= -4.03! C(o=-4!,f=-5.1!) USER MOD Single : A 41 THR OG1 : rot 180:sc= -2.11 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 55 CYS SG : rot -50:sc= -1.63 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0.0715 USER MOD Single : A 66 GLN : amide:sc= -1.4 X(o=-1.4,f=-1.1) USER MOD Single : A 72 SER OG : rot 47:sc= -3.1! USER MOD Single : A 73 SER OG : rot 180:sc= -0.244 USER MOD Single : A 74 THR OG1 : rot 90:sc= -1.3 USER MOD Single : A 76 CYS SG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0.0504 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 14 -6.917 -16.474 5.501 1.00 0.00 N ATOM 2 CA SER A 14 -6.379 -15.918 4.266 1.00 0.00 C ATOM 3 C SER A 14 -6.383 -14.393 4.306 1.00 0.00 C ATOM 4 O SER A 14 -7.243 -13.782 4.941 1.00 0.00 O ATOM 5 CB SER A 14 -7.188 -16.410 3.065 1.00 0.00 C ATOM 6 OG SER A 14 -6.580 -16.023 1.845 1.00 0.00 O ATOM 0 HA SER A 14 -5.348 -16.257 4.165 1.00 0.00 H new ATOM 0 HB2 SER A 14 -7.276 -17.496 3.102 1.00 0.00 H new ATOM 0 HB3 SER A 14 -8.199 -16.007 3.114 1.00 0.00 H new ATOM 0 HG SER A 14 -7.116 -16.352 1.094 1.00 0.00 H new ATOM 12 N GLY A 15 -5.417 -13.786 3.625 1.00 0.00 N ATOM 13 CA GLY A 15 -5.328 -12.338 3.597 1.00 0.00 C ATOM 14 C GLY A 15 -3.901 -11.848 3.445 1.00 0.00 C ATOM 15 O GLY A 15 -2.976 -12.417 4.023 1.00 0.00 O ATOM 0 H GLY A 15 -4.695 -14.271 3.092 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -5.930 -11.956 2.773 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -5.752 -11.933 4.516 1.00 0.00 H new ATOM 19 N GLY A 16 -3.722 -10.788 2.663 1.00 0.00 N ATOM 20 CA GLY A 16 -2.396 -10.239 2.450 1.00 0.00 C ATOM 21 C GLY A 16 -2.391 -8.724 2.425 1.00 0.00 C ATOM 22 O GLY A 16 -2.493 -8.115 1.363 1.00 0.00 O ATOM 0 H GLY A 16 -4.472 -10.300 2.173 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -1.731 -10.588 3.240 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -1.998 -10.616 1.508 1.00 0.00 H new ATOM 26 N CYS A 17 -2.264 -8.115 3.598 1.00 0.00 N ATOM 27 CA CYS A 17 -2.235 -6.665 3.715 1.00 0.00 C ATOM 28 C CYS A 17 -1.103 -6.234 4.631 1.00 0.00 C ATOM 29 O CYS A 17 -0.927 -6.782 5.719 1.00 0.00 O ATOM 30 CB CYS A 17 -3.568 -6.126 4.242 1.00 0.00 C ATOM 31 SG CYS A 17 -4.326 -7.127 5.547 1.00 0.00 S ATOM 0 H CYS A 17 -2.179 -8.609 4.487 1.00 0.00 H new ATOM 0 HA CYS A 17 -2.069 -6.251 2.720 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -3.411 -5.116 4.622 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -4.268 -6.048 3.410 1.00 0.00 H new ATOM 0 HG CYS A 17 -5.445 -6.579 5.919 1.00 0.00 H new ATOM 37 N GLU A 18 -0.342 -5.248 4.189 1.00 0.00 N ATOM 38 CA GLU A 18 0.775 -4.737 4.972 1.00 0.00 C ATOM 39 C GLU A 18 0.671 -3.233 5.103 1.00 0.00 C ATOM 40 O GLU A 18 0.178 -2.568 4.208 1.00 0.00 O ATOM 41 CB GLU A 18 2.109 -5.119 4.331 1.00 0.00 C ATOM 42 CG GLU A 18 3.324 -4.594 5.080 1.00 0.00 C ATOM 43 CD GLU A 18 3.569 -5.329 6.384 1.00 0.00 C ATOM 44 OE1 GLU A 18 3.171 -6.508 6.484 1.00 0.00 O ATOM 45 OE2 GLU A 18 4.159 -4.725 7.304 1.00 0.00 O ATOM 0 H GLU A 18 -0.476 -4.783 3.291 1.00 0.00 H new ATOM 0 HA GLU A 18 0.733 -5.185 5.965 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.174 -6.205 4.269 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.132 -4.740 3.309 1.00 0.00 H new ATOM 0 HG2 GLU A 18 4.205 -4.685 4.445 1.00 0.00 H new ATOM 0 HG3 GLU A 18 3.188 -3.532 5.286 1.00 0.00 H new ATOM 52 N LEU A 19 1.141 -2.704 6.213 1.00 0.00 N ATOM 53 CA LEU A 19 1.088 -1.259 6.431 1.00 0.00 C ATOM 54 C LEU A 19 2.188 -0.564 5.647 1.00 0.00 C ATOM 55 O LEU A 19 3.355 -0.953 5.701 1.00 0.00 O ATOM 56 CB LEU A 19 1.197 -0.887 7.912 1.00 0.00 C ATOM 57 CG LEU A 19 0.754 -1.960 8.909 1.00 0.00 C ATOM 58 CD1 LEU A 19 0.735 -1.396 10.321 1.00 0.00 C ATOM 59 CD2 LEU A 19 -0.617 -2.507 8.536 1.00 0.00 C ATOM 0 H LEU A 19 1.560 -3.238 6.974 1.00 0.00 H new ATOM 0 HA LEU A 19 0.114 -0.922 6.077 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.234 -0.627 8.125 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.602 0.010 8.085 1.00 0.00 H new ATOM 0 HG LEU A 19 1.471 -2.780 8.872 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.418 -2.171 11.018 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.734 -1.053 10.589 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.039 -0.558 10.369 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.913 -3.269 9.257 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.346 -1.697 8.543 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -0.574 -2.948 7.540 1.00 0.00 H new ATOM 71 N THR A 20 1.796 0.465 4.917 1.00 0.00 N ATOM 72 CA THR A 20 2.726 1.234 4.105 1.00 0.00 C ATOM 73 C THR A 20 2.407 2.721 4.175 1.00 0.00 C ATOM 74 O THR A 20 1.248 3.115 4.285 1.00 0.00 O ATOM 75 CB THR A 20 2.683 0.759 2.649 1.00 0.00 C ATOM 76 OG1 THR A 20 3.544 1.539 1.842 1.00 0.00 O ATOM 77 CG2 THR A 20 1.304 0.826 2.031 1.00 0.00 C ATOM 0 H THR A 20 0.831 0.791 4.869 1.00 0.00 H new ATOM 0 HA THR A 20 3.729 1.076 4.501 1.00 0.00 H new ATOM 0 HB THR A 20 2.999 -0.284 2.682 1.00 0.00 H new ATOM 0 HG1 THR A 20 3.480 1.240 0.911 1.00 0.00 H new ATOM 0 HG21 THR A 20 1.350 0.475 1.000 1.00 0.00 H new ATOM 0 HG22 THR A 20 0.620 0.196 2.599 1.00 0.00 H new ATOM 0 HG23 THR A 20 0.947 1.856 2.048 1.00 0.00 H new ATOM 85 N VAL A 21 3.445 3.540 4.091 1.00 0.00 N ATOM 86 CA VAL A 21 3.286 4.981 4.124 1.00 0.00 C ATOM 87 C VAL A 21 3.623 5.561 2.761 1.00 0.00 C ATOM 88 O VAL A 21 4.554 5.099 2.102 1.00 0.00 O ATOM 89 CB VAL A 21 4.193 5.633 5.187 1.00 0.00 C ATOM 90 CG1 VAL A 21 3.578 5.500 6.571 1.00 0.00 C ATOM 91 CG2 VAL A 21 5.590 5.030 5.155 1.00 0.00 C ATOM 0 H VAL A 21 4.411 3.226 3.999 1.00 0.00 H new ATOM 0 HA VAL A 21 2.249 5.194 4.384 1.00 0.00 H new ATOM 0 HB VAL A 21 4.281 6.694 4.953 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.233 5.966 7.307 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.606 5.993 6.586 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.453 4.445 6.814 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.210 5.507 5.914 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.529 3.960 5.356 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.033 5.190 4.172 1.00 0.00 H new ATOM 101 N VAL A 22 2.867 6.561 2.329 1.00 0.00 N ATOM 102 CA VAL A 22 3.110 7.164 1.038 1.00 0.00 C ATOM 103 C VAL A 22 4.151 8.268 1.114 1.00 0.00 C ATOM 104 O VAL A 22 4.029 9.207 1.899 1.00 0.00 O ATOM 105 CB VAL A 22 1.829 7.716 0.374 1.00 0.00 C ATOM 106 CG1 VAL A 22 1.216 6.665 -0.522 1.00 0.00 C ATOM 107 CG2 VAL A 22 0.810 8.208 1.394 1.00 0.00 C ATOM 0 H VAL A 22 2.089 6.964 2.852 1.00 0.00 H new ATOM 0 HA VAL A 22 3.489 6.354 0.415 1.00 0.00 H new ATOM 0 HB VAL A 22 2.119 8.579 -0.225 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.314 7.063 -0.986 1.00 0.00 H new ATOM 0 HG12 VAL A 22 1.930 6.387 -1.297 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.962 5.786 0.070 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -0.071 8.586 0.875 1.00 0.00 H new ATOM 0 HG22 VAL A 22 0.521 7.384 2.047 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.250 9.007 1.991 1.00 0.00 H new ATOM 117 N LEU A 23 5.183 8.134 0.294 1.00 0.00 N ATOM 118 CA LEU A 23 6.263 9.104 0.260 1.00 0.00 C ATOM 119 C LEU A 23 5.845 10.396 -0.442 1.00 0.00 C ATOM 120 O LEU A 23 6.416 11.454 -0.183 1.00 0.00 O ATOM 121 CB LEU A 23 7.509 8.528 -0.427 1.00 0.00 C ATOM 122 CG LEU A 23 7.703 7.014 -0.296 1.00 0.00 C ATOM 123 CD1 LEU A 23 9.037 6.596 -0.896 1.00 0.00 C ATOM 124 CD2 LEU A 23 7.616 6.585 1.161 1.00 0.00 C ATOM 0 H LEU A 23 5.294 7.358 -0.359 1.00 0.00 H new ATOM 0 HA LEU A 23 6.504 9.337 1.297 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.465 8.779 -1.487 1.00 0.00 H new ATOM 0 HB3 LEU A 23 8.389 9.025 -0.018 1.00 0.00 H new ATOM 0 HG LEU A 23 6.904 6.517 -0.847 1.00 0.00 H new ATOM 0 HD11 LEU A 23 9.160 5.518 -0.795 1.00 0.00 H new ATOM 0 HD12 LEU A 23 9.062 6.867 -1.952 1.00 0.00 H new ATOM 0 HD13 LEU A 23 9.847 7.104 -0.372 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.756 5.506 1.232 1.00 0.00 H new ATOM 0 HD22 LEU A 23 8.392 7.090 1.736 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.637 6.850 1.561 1.00 0.00 H new ATOM 136 N GLN A 24 4.866 10.314 -1.340 1.00 0.00 N ATOM 137 CA GLN A 24 4.409 11.488 -2.060 1.00 0.00 C ATOM 138 C GLN A 24 2.890 11.463 -2.236 1.00 0.00 C ATOM 139 O GLN A 24 2.290 10.394 -2.335 1.00 0.00 O ATOM 140 CB GLN A 24 5.142 11.578 -3.403 1.00 0.00 C ATOM 141 CG GLN A 24 4.612 10.683 -4.508 1.00 0.00 C ATOM 142 CD GLN A 24 4.827 11.273 -5.888 1.00 0.00 C ATOM 143 OE1 GLN A 24 3.881 11.443 -6.657 1.00 0.00 O ATOM 144 NE2 GLN A 24 6.077 11.587 -6.209 1.00 0.00 N ATOM 0 H GLN A 24 4.380 9.450 -1.582 1.00 0.00 H new ATOM 0 HA GLN A 24 4.642 12.382 -1.482 1.00 0.00 H new ATOM 0 HB2 GLN A 24 5.102 12.611 -3.748 1.00 0.00 H new ATOM 0 HB3 GLN A 24 6.192 11.337 -3.239 1.00 0.00 H new ATOM 0 HG2 GLN A 24 5.103 9.712 -4.451 1.00 0.00 H new ATOM 0 HG3 GLN A 24 3.547 10.511 -4.352 1.00 0.00 H new ATOM 0 HE21 GLN A 24 6.830 11.429 -5.540 1.00 0.00 H new ATOM 0 HE22 GLN A 24 6.283 11.986 -7.125 1.00 0.00 H new ATOM 153 N ASP A 25 2.275 12.641 -2.281 1.00 0.00 N ATOM 154 CA ASP A 25 0.827 12.723 -2.454 1.00 0.00 C ATOM 155 C ASP A 25 0.454 12.255 -3.851 1.00 0.00 C ATOM 156 O ASP A 25 1.207 12.437 -4.807 1.00 0.00 O ATOM 157 CB ASP A 25 0.257 14.144 -2.238 1.00 0.00 C ATOM 158 CG ASP A 25 1.226 15.137 -1.614 1.00 0.00 C ATOM 159 OD1 ASP A 25 1.269 15.223 -0.369 1.00 0.00 O ATOM 160 OD2 ASP A 25 1.940 15.827 -2.372 1.00 0.00 O ATOM 0 H ASP A 25 2.748 13.541 -2.201 1.00 0.00 H new ATOM 0 HA ASP A 25 0.390 12.081 -1.689 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -0.073 14.537 -3.200 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -0.626 14.072 -1.603 1.00 0.00 H new ATOM 165 N PHE A 26 -0.715 11.665 -3.951 1.00 0.00 N ATOM 166 CA PHE A 26 -1.221 11.171 -5.219 1.00 0.00 C ATOM 167 C PHE A 26 -2.717 11.341 -5.304 1.00 0.00 C ATOM 168 O PHE A 26 -3.404 11.348 -4.294 1.00 0.00 O ATOM 169 CB PHE A 26 -0.882 9.701 -5.418 1.00 0.00 C ATOM 170 CG PHE A 26 -1.154 9.212 -6.812 1.00 0.00 C ATOM 171 CD1 PHE A 26 -0.205 9.354 -7.810 1.00 0.00 C ATOM 172 CD2 PHE A 26 -2.363 8.607 -7.125 1.00 0.00 C ATOM 173 CE1 PHE A 26 -0.453 8.904 -9.092 1.00 0.00 C ATOM 174 CE2 PHE A 26 -2.617 8.155 -8.406 1.00 0.00 C ATOM 175 CZ PHE A 26 -1.661 8.304 -9.391 1.00 0.00 C ATOM 0 H PHE A 26 -1.343 11.513 -3.162 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.741 11.757 -6.003 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.171 9.543 -5.184 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -1.459 9.103 -4.712 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.741 9.823 -7.583 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -3.114 8.488 -6.358 1.00 0.00 H new ATOM 0 HE1 PHE A 26 0.297 9.021 -9.860 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -3.562 7.686 -8.636 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.857 7.952 -10.393 1.00 0.00 H new ATOM 185 N SER A 27 -3.214 11.465 -6.513 1.00 0.00 N ATOM 186 CA SER A 27 -4.617 11.604 -6.743 1.00 0.00 C ATOM 187 C SER A 27 -5.067 10.527 -7.716 1.00 0.00 C ATOM 188 O SER A 27 -4.380 10.234 -8.694 1.00 0.00 O ATOM 189 CB SER A 27 -4.899 12.978 -7.307 1.00 0.00 C ATOM 190 OG SER A 27 -3.794 13.468 -8.045 1.00 0.00 O ATOM 0 H SER A 27 -2.648 11.471 -7.361 1.00 0.00 H new ATOM 0 HA SER A 27 -5.165 11.491 -5.808 1.00 0.00 H new ATOM 0 HB2 SER A 27 -5.778 12.936 -7.950 1.00 0.00 H new ATOM 0 HB3 SER A 27 -5.130 13.667 -6.494 1.00 0.00 H new ATOM 0 HG SER A 27 -4.005 14.357 -8.399 1.00 0.00 H new ATOM 196 N ALA A 28 -6.199 9.921 -7.420 1.00 0.00 N ATOM 197 CA ALA A 28 -6.742 8.849 -8.229 1.00 0.00 C ATOM 198 C ALA A 28 -6.794 9.166 -9.717 1.00 0.00 C ATOM 199 O ALA A 28 -6.345 10.218 -10.174 1.00 0.00 O ATOM 200 CB ALA A 28 -8.126 8.491 -7.740 1.00 0.00 C ATOM 0 H ALA A 28 -6.770 10.159 -6.609 1.00 0.00 H new ATOM 0 HA ALA A 28 -6.060 8.006 -8.116 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -8.531 7.684 -8.351 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -8.072 8.167 -6.701 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -8.775 9.363 -7.815 1.00 0.00 H new ATOM 206 N ALA A 29 -7.363 8.221 -10.462 1.00 0.00 N ATOM 207 CA ALA A 29 -7.510 8.330 -11.911 1.00 0.00 C ATOM 208 C ALA A 29 -7.967 6.998 -12.498 1.00 0.00 C ATOM 209 O ALA A 29 -8.652 6.965 -13.520 1.00 0.00 O ATOM 210 CB ALA A 29 -6.204 8.769 -12.569 1.00 0.00 C ATOM 0 H ALA A 29 -7.737 7.354 -10.075 1.00 0.00 H new ATOM 0 HA ALA A 29 -8.265 9.089 -12.114 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -6.346 8.841 -13.647 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -5.908 9.742 -12.176 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.424 8.038 -12.354 1.00 0.00 H new ATOM 216 N HIS A 30 -7.578 5.897 -11.850 1.00 0.00 N ATOM 217 CA HIS A 30 -7.946 4.569 -12.320 1.00 0.00 C ATOM 218 C HIS A 30 -9.057 3.952 -11.465 1.00 0.00 C ATOM 219 O HIS A 30 -9.529 4.542 -10.489 1.00 0.00 O ATOM 220 CB HIS A 30 -6.719 3.651 -12.351 1.00 0.00 C ATOM 221 CG HIS A 30 -6.398 3.129 -13.717 1.00 0.00 C ATOM 222 ND1 HIS A 30 -7.005 2.016 -14.261 1.00 0.00 N ATOM 223 CD2 HIS A 30 -5.527 3.575 -14.654 1.00 0.00 C ATOM 224 CE1 HIS A 30 -6.520 1.799 -15.471 1.00 0.00 C ATOM 225 NE2 HIS A 30 -5.623 2.732 -15.733 1.00 0.00 N ATOM 0 H HIS A 30 -7.011 5.904 -11.002 1.00 0.00 H new ATOM 0 HA HIS A 30 -8.332 4.675 -13.334 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -5.857 4.197 -11.967 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -6.888 2.809 -11.679 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -4.878 4.434 -14.568 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -6.808 0.996 -16.133 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -5.088 2.813 -16.598 1.00 0.00 H new ATOM 234 N SER A 31 -9.467 2.752 -11.859 1.00 0.00 N ATOM 235 CA SER A 31 -10.535 2.009 -11.183 1.00 0.00 C ATOM 236 C SER A 31 -10.444 2.092 -9.661 1.00 0.00 C ATOM 237 O SER A 31 -11.213 2.812 -9.024 1.00 0.00 O ATOM 238 CB SER A 31 -10.510 0.543 -11.622 1.00 0.00 C ATOM 239 OG SER A 31 -11.039 0.392 -12.929 1.00 0.00 O ATOM 0 H SER A 31 -9.069 2.261 -12.660 1.00 0.00 H new ATOM 0 HA SER A 31 -11.477 2.474 -11.474 1.00 0.00 H new ATOM 0 HB2 SER A 31 -9.486 0.170 -11.595 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.087 -0.060 -10.921 1.00 0.00 H new ATOM 0 HG SER A 31 -11.010 -0.553 -13.186 1.00 0.00 H new ATOM 245 N SER A 32 -9.517 1.342 -9.085 1.00 0.00 N ATOM 246 CA SER A 32 -9.348 1.323 -7.639 1.00 0.00 C ATOM 247 C SER A 32 -8.321 2.356 -7.179 1.00 0.00 C ATOM 248 O SER A 32 -7.485 2.065 -6.328 1.00 0.00 O ATOM 249 CB SER A 32 -8.930 -0.075 -7.180 1.00 0.00 C ATOM 250 OG SER A 32 -8.062 -0.683 -8.121 1.00 0.00 O ATOM 0 H SER A 32 -8.871 0.739 -9.595 1.00 0.00 H new ATOM 0 HA SER A 32 -10.305 1.582 -7.187 1.00 0.00 H new ATOM 0 HB2 SER A 32 -8.433 -0.010 -6.212 1.00 0.00 H new ATOM 0 HB3 SER A 32 -9.815 -0.696 -7.043 1.00 0.00 H new ATOM 0 HG SER A 32 -7.620 -1.454 -7.708 1.00 0.00 H new ATOM 256 N GLU A 33 -8.383 3.562 -7.744 1.00 0.00 N ATOM 257 CA GLU A 33 -7.458 4.615 -7.380 1.00 0.00 C ATOM 258 C GLU A 33 -8.097 5.601 -6.416 1.00 0.00 C ATOM 259 O GLU A 33 -9.313 5.796 -6.424 1.00 0.00 O ATOM 260 CB GLU A 33 -7.007 5.343 -8.633 1.00 0.00 C ATOM 261 CG GLU A 33 -5.782 4.728 -9.249 1.00 0.00 C ATOM 262 CD GLU A 33 -4.847 5.749 -9.868 1.00 0.00 C ATOM 263 OE1 GLU A 33 -5.332 6.624 -10.615 1.00 0.00 O ATOM 264 OE2 GLU A 33 -3.628 5.671 -9.609 1.00 0.00 O ATOM 0 H GLU A 33 -9.066 3.826 -8.454 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.600 4.163 -6.882 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -7.817 5.339 -9.362 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -6.802 6.386 -8.389 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -5.243 4.167 -8.486 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -6.087 4.014 -10.014 1.00 0.00 H new ATOM 271 N LEU A 34 -7.268 6.235 -5.597 1.00 0.00 N ATOM 272 CA LEU A 34 -7.743 7.213 -4.643 1.00 0.00 C ATOM 273 C LEU A 34 -6.668 8.250 -4.376 1.00 0.00 C ATOM 274 O LEU A 34 -5.506 8.053 -4.722 1.00 0.00 O ATOM 275 CB LEU A 34 -8.174 6.543 -3.344 1.00 0.00 C ATOM 276 CG LEU A 34 -7.463 5.239 -2.984 1.00 0.00 C ATOM 277 CD1 LEU A 34 -6.100 5.517 -2.389 1.00 0.00 C ATOM 278 CD2 LEU A 34 -8.311 4.463 -2.000 1.00 0.00 C ATOM 0 H LEU A 34 -6.259 6.084 -5.579 1.00 0.00 H new ATOM 0 HA LEU A 34 -8.613 7.712 -5.069 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -8.024 7.250 -2.528 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -9.244 6.344 -3.401 1.00 0.00 H new ATOM 0 HG LEU A 34 -7.323 4.651 -3.891 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -5.612 4.574 -2.140 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -5.492 6.061 -3.112 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -6.213 6.116 -1.486 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -7.807 3.532 -1.741 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -8.460 5.058 -1.099 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -9.278 4.239 -2.450 1.00 0.00 H new ATOM 290 N SER A 35 -7.060 9.356 -3.768 1.00 0.00 N ATOM 291 CA SER A 35 -6.138 10.418 -3.463 1.00 0.00 C ATOM 292 C SER A 35 -5.490 10.198 -2.113 1.00 0.00 C ATOM 293 O SER A 35 -6.160 10.041 -1.092 1.00 0.00 O ATOM 294 CB SER A 35 -6.839 11.767 -3.488 1.00 0.00 C ATOM 295 OG SER A 35 -8.172 11.664 -3.019 1.00 0.00 O ATOM 0 H SER A 35 -8.021 9.536 -3.477 1.00 0.00 H new ATOM 0 HA SER A 35 -5.362 10.414 -4.228 1.00 0.00 H new ATOM 0 HB2 SER A 35 -6.288 12.477 -2.871 1.00 0.00 H new ATOM 0 HB3 SER A 35 -6.838 12.161 -4.504 1.00 0.00 H new ATOM 0 HG SER A 35 -8.597 12.547 -3.045 1.00 0.00 H new ATOM 301 N ILE A 36 -4.176 10.192 -2.134 1.00 0.00 N ATOM 302 CA ILE A 36 -3.378 9.996 -0.941 1.00 0.00 C ATOM 303 C ILE A 36 -2.416 11.161 -0.754 1.00 0.00 C ATOM 304 O ILE A 36 -2.196 11.954 -1.668 1.00 0.00 O ATOM 305 CB ILE A 36 -2.574 8.675 -0.996 1.00 0.00 C ATOM 306 CG1 ILE A 36 -2.086 8.396 -2.431 1.00 0.00 C ATOM 307 CG2 ILE A 36 -3.407 7.517 -0.454 1.00 0.00 C ATOM 308 CD1 ILE A 36 -3.150 7.866 -3.373 1.00 0.00 C ATOM 0 H ILE A 36 -3.626 10.324 -2.983 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.066 9.942 -0.097 1.00 0.00 H new ATOM 0 HB ILE A 36 -1.694 8.776 -0.361 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -1.679 9.318 -2.847 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.268 7.677 -2.388 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.825 6.597 -0.501 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.682 7.720 0.581 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.310 7.406 -1.054 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.714 7.700 -4.358 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.542 6.925 -2.986 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.960 8.591 -3.452 1.00 0.00 H new ATOM 320 N GLN A 37 -1.864 11.265 0.440 1.00 0.00 N ATOM 321 CA GLN A 37 -0.944 12.326 0.776 1.00 0.00 C ATOM 322 C GLN A 37 0.323 11.790 1.427 1.00 0.00 C ATOM 323 O GLN A 37 0.302 10.781 2.126 1.00 0.00 O ATOM 324 CB GLN A 37 -1.634 13.312 1.708 1.00 0.00 C ATOM 325 CG GLN A 37 -2.303 14.467 0.982 1.00 0.00 C ATOM 326 CD GLN A 37 -3.748 14.667 1.398 1.00 0.00 C ATOM 327 OE1 GLN A 37 -4.204 14.104 2.392 1.00 0.00 O ATOM 328 NE2 GLN A 37 -4.477 15.473 0.635 1.00 0.00 N ATOM 0 H GLN A 37 -2.044 10.613 1.203 1.00 0.00 H new ATOM 0 HA GLN A 37 -0.649 12.827 -0.146 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.382 12.781 2.296 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -0.901 13.710 2.410 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -1.745 15.383 1.175 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -2.261 14.288 -0.092 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -4.058 15.920 -0.181 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -5.456 15.645 0.865 1.00 0.00 H new ATOM 337 N VAL A 38 1.422 12.488 1.193 1.00 0.00 N ATOM 338 CA VAL A 38 2.714 12.109 1.749 1.00 0.00 C ATOM 339 C VAL A 38 2.689 12.134 3.280 1.00 0.00 C ATOM 340 O VAL A 38 2.302 13.134 3.885 1.00 0.00 O ATOM 341 CB VAL A 38 3.818 13.072 1.254 1.00 0.00 C ATOM 342 CG1 VAL A 38 3.452 14.513 1.570 1.00 0.00 C ATOM 343 CG2 VAL A 38 5.176 12.720 1.854 1.00 0.00 C ATOM 0 H VAL A 38 1.446 13.329 0.616 1.00 0.00 H new ATOM 0 HA VAL A 38 2.928 11.094 1.413 1.00 0.00 H new ATOM 0 HB VAL A 38 3.894 12.961 0.172 1.00 0.00 H new ATOM 0 HG11 VAL A 38 4.241 15.175 1.214 1.00 0.00 H new ATOM 0 HG12 VAL A 38 2.514 14.767 1.076 1.00 0.00 H new ATOM 0 HG13 VAL A 38 3.338 14.631 2.647 1.00 0.00 H new ATOM 0 HG21 VAL A 38 5.929 13.417 1.485 1.00 0.00 H new ATOM 0 HG22 VAL A 38 5.122 12.786 2.941 1.00 0.00 H new ATOM 0 HG23 VAL A 38 5.449 11.705 1.566 1.00 0.00 H new ATOM 353 N GLY A 39 3.139 11.045 3.900 1.00 0.00 N ATOM 354 CA GLY A 39 3.193 10.993 5.351 1.00 0.00 C ATOM 355 C GLY A 39 2.159 10.091 5.989 1.00 0.00 C ATOM 356 O GLY A 39 2.394 9.544 7.066 1.00 0.00 O ATOM 0 H GLY A 39 3.465 10.203 3.426 1.00 0.00 H new ATOM 0 HA2 GLY A 39 4.185 10.656 5.653 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.066 12.002 5.742 1.00 0.00 H new ATOM 360 N GLN A 40 1.015 9.944 5.347 1.00 0.00 N ATOM 361 CA GLN A 40 -0.044 9.120 5.887 1.00 0.00 C ATOM 362 C GLN A 40 0.299 7.641 5.819 1.00 0.00 C ATOM 363 O GLN A 40 1.230 7.232 5.125 1.00 0.00 O ATOM 364 CB GLN A 40 -1.351 9.407 5.168 1.00 0.00 C ATOM 365 CG GLN A 40 -1.447 8.781 3.803 1.00 0.00 C ATOM 366 CD GLN A 40 -2.700 9.183 3.054 1.00 0.00 C ATOM 367 OE1 GLN A 40 -3.021 10.367 2.947 1.00 0.00 O ATOM 368 NE2 GLN A 40 -3.416 8.197 2.530 1.00 0.00 N ATOM 0 H GLN A 40 0.798 10.384 4.453 1.00 0.00 H new ATOM 0 HA GLN A 40 -0.159 9.374 6.941 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -2.178 9.047 5.781 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -1.472 10.486 5.071 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -0.573 9.065 3.217 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -1.424 7.696 3.905 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -3.112 7.230 2.643 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -4.270 8.406 2.014 1.00 0.00 H new ATOM 377 N THR A 41 -0.481 6.845 6.533 1.00 0.00 N ATOM 378 CA THR A 41 -0.287 5.402 6.545 1.00 0.00 C ATOM 379 C THR A 41 -1.527 4.671 6.078 1.00 0.00 C ATOM 380 O THR A 41 -2.610 4.815 6.647 1.00 0.00 O ATOM 381 CB THR A 41 0.100 4.864 7.937 1.00 0.00 C ATOM 382 OG1 THR A 41 1.433 5.215 8.259 1.00 0.00 O ATOM 383 CG2 THR A 41 -0.022 3.336 8.052 1.00 0.00 C ATOM 0 H THR A 41 -1.254 7.173 7.112 1.00 0.00 H new ATOM 0 HA THR A 41 0.537 5.215 5.857 1.00 0.00 H new ATOM 0 HB THR A 41 -0.605 5.322 8.630 1.00 0.00 H new ATOM 0 HG1 THR A 41 1.658 4.866 9.147 1.00 0.00 H new ATOM 0 HG21 THR A 41 0.265 3.023 9.056 1.00 0.00 H new ATOM 0 HG22 THR A 41 -1.053 3.038 7.859 1.00 0.00 H new ATOM 0 HG23 THR A 41 0.635 2.863 7.322 1.00 0.00 H new ATOM 391 N VAL A 42 -1.327 3.825 5.102 1.00 0.00 N ATOM 392 CA VAL A 42 -2.374 2.985 4.611 1.00 0.00 C ATOM 393 C VAL A 42 -1.764 1.633 4.268 1.00 0.00 C ATOM 394 O VAL A 42 -0.621 1.540 3.828 1.00 0.00 O ATOM 395 CB VAL A 42 -3.147 3.634 3.424 1.00 0.00 C ATOM 396 CG1 VAL A 42 -3.324 2.674 2.278 1.00 0.00 C ATOM 397 CG2 VAL A 42 -4.517 4.126 3.880 1.00 0.00 C ATOM 0 H VAL A 42 -0.432 3.703 4.629 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.135 2.846 5.379 1.00 0.00 H new ATOM 0 HB VAL A 42 -2.548 4.477 3.079 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.868 3.166 1.472 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -2.346 2.356 1.915 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.886 1.804 2.616 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.041 4.576 3.037 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.097 3.286 4.261 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.393 4.869 4.668 1.00 0.00 H new ATOM 407 N GLU A 43 -2.536 0.602 4.507 1.00 0.00 N ATOM 408 CA GLU A 43 -2.094 -0.752 4.265 1.00 0.00 C ATOM 409 C GLU A 43 -2.161 -1.117 2.786 1.00 0.00 C ATOM 410 O GLU A 43 -3.195 -0.963 2.146 1.00 0.00 O ATOM 411 CB GLU A 43 -2.962 -1.722 5.064 1.00 0.00 C ATOM 412 CG GLU A 43 -4.423 -1.703 4.640 1.00 0.00 C ATOM 413 CD GLU A 43 -5.312 -2.510 5.565 1.00 0.00 C ATOM 414 OE1 GLU A 43 -5.346 -2.202 6.775 1.00 0.00 O ATOM 415 OE2 GLU A 43 -5.975 -3.451 5.080 1.00 0.00 O ATOM 0 H GLU A 43 -3.485 0.675 4.873 1.00 0.00 H new ATOM 0 HA GLU A 43 -1.053 -0.823 4.582 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -2.569 -2.732 4.948 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -2.894 -1.473 6.123 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -4.775 -0.672 4.612 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -4.508 -2.096 3.627 1.00 0.00 H new ATOM 422 N LEU A 44 -1.053 -1.616 2.250 1.00 0.00 N ATOM 423 CA LEU A 44 -1.000 -2.016 0.867 1.00 0.00 C ATOM 424 C LEU A 44 -1.736 -3.317 0.649 1.00 0.00 C ATOM 425 O LEU A 44 -1.778 -4.192 1.529 1.00 0.00 O ATOM 426 CB LEU A 44 0.425 -2.138 0.355 1.00 0.00 C ATOM 427 CG LEU A 44 1.392 -2.972 1.200 1.00 0.00 C ATOM 428 CD1 LEU A 44 1.183 -4.455 0.937 1.00 0.00 C ATOM 429 CD2 LEU A 44 2.830 -2.577 0.896 1.00 0.00 C ATOM 0 H LEU A 44 -0.181 -1.750 2.762 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.492 -1.227 0.298 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.391 -2.568 -0.646 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.838 -1.134 0.257 1.00 0.00 H new ATOM 0 HG LEU A 44 1.192 -2.777 2.254 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.878 -5.034 1.545 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.160 -4.730 1.194 1.00 0.00 H new ATOM 0 HD13 LEU A 44 1.361 -4.666 -0.117 1.00 0.00 H new ATOM 0 HD21 LEU A 44 3.508 -3.177 1.503 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.039 -2.749 -0.160 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.974 -1.521 1.127 1.00 0.00 H new ATOM 441 N LEU A 45 -2.317 -3.412 -0.536 1.00 0.00 N ATOM 442 CA LEU A 45 -3.089 -4.577 -0.942 1.00 0.00 C ATOM 443 C LEU A 45 -2.179 -5.754 -1.279 1.00 0.00 C ATOM 444 O LEU A 45 -2.349 -6.849 -0.747 1.00 0.00 O ATOM 445 CB LEU A 45 -3.977 -4.239 -2.147 1.00 0.00 C ATOM 446 CG LEU A 45 -4.646 -2.854 -2.119 1.00 0.00 C ATOM 447 CD1 LEU A 45 -5.117 -2.459 -3.511 1.00 0.00 C ATOM 448 CD2 LEU A 45 -5.813 -2.833 -1.158 1.00 0.00 C ATOM 0 H LEU A 45 -2.267 -2.682 -1.246 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.722 -4.865 -0.103 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.373 -4.311 -3.051 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.757 -4.997 -2.223 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.903 -2.134 -1.777 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.587 -1.477 -3.471 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.263 -2.425 -4.188 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.838 -3.192 -3.873 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.267 -1.842 -1.158 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.553 -3.571 -1.468 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.462 -3.071 -0.154 1.00 0.00 H new ATOM 460 N GLU A 46 -1.211 -5.530 -2.162 1.00 0.00 N ATOM 461 CA GLU A 46 -0.286 -6.566 -2.553 1.00 0.00 C ATOM 462 C GLU A 46 1.119 -5.992 -2.678 1.00 0.00 C ATOM 463 O GLU A 46 1.360 -4.825 -2.368 1.00 0.00 O ATOM 464 CB GLU A 46 -0.718 -7.229 -3.872 1.00 0.00 C ATOM 465 CG GLU A 46 -1.489 -6.322 -4.821 1.00 0.00 C ATOM 466 CD GLU A 46 -1.935 -7.042 -6.079 1.00 0.00 C ATOM 467 OE1 GLU A 46 -1.331 -8.082 -6.414 1.00 0.00 O ATOM 468 OE2 GLU A 46 -2.889 -6.565 -6.729 1.00 0.00 O ATOM 0 H GLU A 46 -1.054 -4.631 -2.618 1.00 0.00 H new ATOM 0 HA GLU A 46 -0.287 -7.334 -1.780 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.170 -7.597 -4.385 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -1.335 -8.097 -3.641 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -2.363 -5.922 -4.306 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -0.863 -5.472 -5.095 1.00 0.00 H new ATOM 475 N ARG A 47 2.037 -6.827 -3.119 1.00 0.00 N ATOM 476 CA ARG A 47 3.434 -6.436 -3.279 1.00 0.00 C ATOM 477 C ARG A 47 3.863 -6.472 -4.747 1.00 0.00 C ATOM 478 O ARG A 47 3.140 -6.991 -5.596 1.00 0.00 O ATOM 479 CB ARG A 47 4.334 -7.361 -2.461 1.00 0.00 C ATOM 480 CG ARG A 47 4.389 -7.008 -0.982 1.00 0.00 C ATOM 481 CD ARG A 47 3.531 -7.947 -0.148 1.00 0.00 C ATOM 482 NE ARG A 47 4.045 -9.315 -0.162 1.00 0.00 N ATOM 483 CZ ARG A 47 3.401 -10.361 0.356 1.00 0.00 C ATOM 484 NH1 ARG A 47 2.214 -10.207 0.935 1.00 0.00 N ATOM 485 NH2 ARG A 47 3.947 -11.568 0.296 1.00 0.00 N ATOM 0 H ARG A 47 1.843 -7.794 -3.378 1.00 0.00 H new ATOM 0 HA ARG A 47 3.534 -5.412 -2.920 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.980 -8.386 -2.568 1.00 0.00 H new ATOM 0 HB3 ARG A 47 5.343 -7.328 -2.871 1.00 0.00 H new ATOM 0 HG2 ARG A 47 5.421 -7.053 -0.635 1.00 0.00 H new ATOM 0 HG3 ARG A 47 4.050 -5.982 -0.840 1.00 0.00 H new ATOM 0 HD2 ARG A 47 3.491 -7.585 0.879 1.00 0.00 H new ATOM 0 HD3 ARG A 47 2.510 -7.939 -0.529 1.00 0.00 H new ATOM 0 HE ARG A 47 4.954 -9.480 -0.595 1.00 0.00 H new ATOM 0 HH11 ARG A 47 1.788 -9.282 0.986 1.00 0.00 H new ATOM 0 HH12 ARG A 47 1.730 -11.014 1.328 1.00 0.00 H new ATOM 0 HH21 ARG A 47 4.858 -11.694 -0.146 1.00 0.00 H new ATOM 0 HH22 ARG A 47 3.456 -12.370 0.692 1.00 0.00 H new ATOM 499 N PRO A 48 5.055 -5.914 -5.067 1.00 0.00 N ATOM 500 CA PRO A 48 5.584 -5.886 -6.440 1.00 0.00 C ATOM 501 C PRO A 48 5.913 -7.289 -6.962 1.00 0.00 C ATOM 502 O PRO A 48 7.070 -7.605 -7.242 1.00 0.00 O ATOM 503 CB PRO A 48 6.866 -5.039 -6.321 1.00 0.00 C ATOM 504 CG PRO A 48 6.770 -4.352 -5.003 1.00 0.00 C ATOM 505 CD PRO A 48 5.983 -5.269 -4.120 1.00 0.00 C ATOM 0 HA PRO A 48 4.860 -5.480 -7.146 1.00 0.00 H new ATOM 0 HB2 PRO A 48 7.756 -5.666 -6.373 1.00 0.00 H new ATOM 0 HB3 PRO A 48 6.936 -4.318 -7.135 1.00 0.00 H new ATOM 0 HG2 PRO A 48 7.760 -4.164 -4.587 1.00 0.00 H new ATOM 0 HG3 PRO A 48 6.276 -3.385 -5.101 1.00 0.00 H new ATOM 0 HD2 PRO A 48 6.622 -5.997 -3.620 1.00 0.00 H new ATOM 0 HD3 PRO A 48 5.451 -4.723 -3.341 1.00 0.00 H new ATOM 513 N SER A 49 4.890 -8.132 -7.086 1.00 0.00 N ATOM 514 CA SER A 49 5.079 -9.497 -7.567 1.00 0.00 C ATOM 515 C SER A 49 5.088 -9.557 -9.085 1.00 0.00 C ATOM 516 O SER A 49 5.963 -10.171 -9.695 1.00 0.00 O ATOM 517 CB SER A 49 3.982 -10.405 -7.019 1.00 0.00 C ATOM 518 OG SER A 49 4.485 -11.697 -6.724 1.00 0.00 O ATOM 0 H SER A 49 3.924 -7.894 -6.860 1.00 0.00 H new ATOM 0 HA SER A 49 6.049 -9.843 -7.210 1.00 0.00 H new ATOM 0 HB2 SER A 49 3.557 -9.963 -6.118 1.00 0.00 H new ATOM 0 HB3 SER A 49 3.174 -10.484 -7.747 1.00 0.00 H new ATOM 0 HG SER A 49 3.762 -12.257 -6.373 1.00 0.00 H new ATOM 524 N GLU A 50 4.108 -8.911 -9.679 1.00 0.00 N ATOM 525 CA GLU A 50 3.974 -8.865 -11.118 1.00 0.00 C ATOM 526 C GLU A 50 4.878 -7.785 -11.697 1.00 0.00 C ATOM 527 O GLU A 50 5.490 -7.957 -12.751 1.00 0.00 O ATOM 528 CB GLU A 50 2.515 -8.608 -11.467 1.00 0.00 C ATOM 529 CG GLU A 50 2.053 -7.197 -11.181 1.00 0.00 C ATOM 530 CD GLU A 50 0.545 -7.047 -11.237 1.00 0.00 C ATOM 531 OE1 GLU A 50 -0.091 -7.750 -12.051 1.00 0.00 O ATOM 532 OE2 GLU A 50 0.000 -6.229 -10.468 1.00 0.00 O ATOM 0 H GLU A 50 3.381 -8.402 -9.176 1.00 0.00 H new ATOM 0 HA GLU A 50 4.280 -9.817 -11.552 1.00 0.00 H new ATOM 0 HB2 GLU A 50 2.362 -8.822 -12.525 1.00 0.00 H new ATOM 0 HB3 GLU A 50 1.890 -9.304 -10.907 1.00 0.00 H new ATOM 0 HG2 GLU A 50 2.406 -6.897 -10.194 1.00 0.00 H new ATOM 0 HG3 GLU A 50 2.508 -6.518 -11.902 1.00 0.00 H new ATOM 539 N ARG A 51 4.962 -6.683 -10.972 1.00 0.00 N ATOM 540 CA ARG A 51 5.800 -5.556 -11.366 1.00 0.00 C ATOM 541 C ARG A 51 6.626 -5.081 -10.175 1.00 0.00 C ATOM 542 O ARG A 51 6.098 -4.956 -9.073 1.00 0.00 O ATOM 543 CB ARG A 51 4.955 -4.396 -11.894 1.00 0.00 C ATOM 544 CG ARG A 51 3.702 -4.135 -11.081 1.00 0.00 C ATOM 545 CD ARG A 51 2.679 -3.329 -11.863 1.00 0.00 C ATOM 546 NE ARG A 51 2.466 -3.864 -13.207 1.00 0.00 N ATOM 547 CZ ARG A 51 1.950 -3.165 -14.218 1.00 0.00 C ATOM 548 NH1 ARG A 51 1.586 -1.898 -14.049 1.00 0.00 N ATOM 549 NH2 ARG A 51 1.797 -3.736 -15.405 1.00 0.00 N ATOM 0 H ARG A 51 4.456 -6.541 -10.098 1.00 0.00 H new ATOM 0 HA ARG A 51 6.462 -5.892 -12.164 1.00 0.00 H new ATOM 0 HB2 ARG A 51 5.563 -3.492 -11.908 1.00 0.00 H new ATOM 0 HB3 ARG A 51 4.671 -4.605 -12.925 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.261 -5.085 -10.778 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.966 -3.600 -10.169 1.00 0.00 H new ATOM 0 HD2 ARG A 51 1.733 -3.323 -11.322 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.012 -2.294 -11.934 1.00 0.00 H new ATOM 0 HE ARG A 51 2.729 -4.834 -13.382 1.00 0.00 H new ATOM 0 HH11 ARG A 51 1.700 -1.452 -13.139 1.00 0.00 H new ATOM 0 HH12 ARG A 51 1.192 -1.372 -14.829 1.00 0.00 H new ATOM 0 HH21 ARG A 51 2.074 -4.708 -15.543 1.00 0.00 H new ATOM 0 HH22 ARG A 51 1.402 -3.203 -16.180 1.00 0.00 H new ATOM 563 N PRO A 52 7.932 -4.807 -10.366 1.00 0.00 N ATOM 564 CA PRO A 52 8.804 -4.351 -9.305 1.00 0.00 C ATOM 565 C PRO A 52 8.965 -2.843 -9.312 1.00 0.00 C ATOM 566 O PRO A 52 9.558 -2.273 -10.228 1.00 0.00 O ATOM 567 CB PRO A 52 10.116 -5.031 -9.670 1.00 0.00 C ATOM 568 CG PRO A 52 10.121 -5.056 -11.169 1.00 0.00 C ATOM 569 CD PRO A 52 8.681 -4.914 -11.624 1.00 0.00 C ATOM 0 HA PRO A 52 8.431 -4.588 -8.308 1.00 0.00 H new ATOM 0 HB2 PRO A 52 10.971 -4.479 -9.279 1.00 0.00 H new ATOM 0 HB3 PRO A 52 10.170 -6.038 -9.256 1.00 0.00 H new ATOM 0 HG2 PRO A 52 10.732 -4.245 -11.565 1.00 0.00 H new ATOM 0 HG3 PRO A 52 10.551 -5.988 -11.537 1.00 0.00 H new ATOM 0 HD2 PRO A 52 8.543 -4.032 -12.249 1.00 0.00 H new ATOM 0 HD3 PRO A 52 8.359 -5.774 -12.211 1.00 0.00 H new ATOM 577 N GLY A 53 8.426 -2.202 -8.290 1.00 0.00 N ATOM 578 CA GLY A 53 8.510 -0.764 -8.194 1.00 0.00 C ATOM 579 C GLY A 53 7.200 -0.117 -7.819 1.00 0.00 C ATOM 580 O GLY A 53 7.173 1.057 -7.490 1.00 0.00 O ATOM 0 H GLY A 53 7.930 -2.655 -7.522 1.00 0.00 H new ATOM 0 HA2 GLY A 53 9.264 -0.499 -7.453 1.00 0.00 H new ATOM 0 HA3 GLY A 53 8.847 -0.361 -9.149 1.00 0.00 H new ATOM 584 N TRP A 54 6.119 -0.877 -7.909 1.00 0.00 N ATOM 585 CA TRP A 54 4.783 -0.391 -7.608 1.00 0.00 C ATOM 586 C TRP A 54 4.290 -0.788 -6.204 1.00 0.00 C ATOM 587 O TRP A 54 4.830 -1.698 -5.576 1.00 0.00 O ATOM 588 CB TRP A 54 3.811 -0.893 -8.674 1.00 0.00 C ATOM 589 CG TRP A 54 3.156 -2.210 -8.363 1.00 0.00 C ATOM 590 CD1 TRP A 54 3.719 -3.286 -7.741 1.00 0.00 C ATOM 591 CD2 TRP A 54 1.812 -2.569 -8.654 1.00 0.00 C ATOM 592 NE1 TRP A 54 2.796 -4.302 -7.638 1.00 0.00 N ATOM 593 CE2 TRP A 54 1.616 -3.883 -8.196 1.00 0.00 C ATOM 594 CE3 TRP A 54 0.761 -1.899 -9.263 1.00 0.00 C ATOM 595 CZ2 TRP A 54 0.396 -4.542 -8.332 1.00 0.00 C ATOM 596 CZ3 TRP A 54 -0.450 -2.548 -9.401 1.00 0.00 C ATOM 597 CH2 TRP A 54 -0.624 -3.860 -8.939 1.00 0.00 C ATOM 0 H TRP A 54 6.146 -1.856 -8.195 1.00 0.00 H new ATOM 0 HA TRP A 54 4.827 0.698 -7.616 1.00 0.00 H new ATOM 0 HB2 TRP A 54 3.034 -0.142 -8.819 1.00 0.00 H new ATOM 0 HB3 TRP A 54 4.346 -0.984 -9.619 1.00 0.00 H new ATOM 0 HD1 TRP A 54 4.737 -3.333 -7.383 1.00 0.00 H new ATOM 0 HE1 TRP A 54 2.963 -5.216 -7.216 1.00 0.00 H new ATOM 0 HE3 TRP A 54 0.888 -0.888 -9.623 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 0.260 -5.551 -7.973 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -1.276 -2.037 -9.872 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -1.582 -4.342 -9.064 1.00 0.00 H new ATOM 608 N CYS A 55 3.227 -0.113 -5.749 1.00 0.00 N ATOM 609 CA CYS A 55 2.617 -0.413 -4.451 1.00 0.00 C ATOM 610 C CYS A 55 1.169 0.058 -4.395 1.00 0.00 C ATOM 611 O CYS A 55 0.745 0.932 -5.144 1.00 0.00 O ATOM 612 CB CYS A 55 3.405 0.184 -3.294 1.00 0.00 C ATOM 613 SG CYS A 55 3.611 -0.934 -1.888 1.00 0.00 S ATOM 0 H CYS A 55 2.773 0.643 -6.261 1.00 0.00 H new ATOM 0 HA CYS A 55 2.636 -1.498 -4.345 1.00 0.00 H new ATOM 0 HB2 CYS A 55 4.389 0.483 -3.654 1.00 0.00 H new ATOM 0 HB3 CYS A 55 2.902 1.089 -2.954 1.00 0.00 H new ATOM 0 HG CYS A 55 2.457 -1.431 -1.556 1.00 0.00 H new ATOM 619 N LEU A 56 0.410 -0.569 -3.523 1.00 0.00 N ATOM 620 CA LEU A 56 -1.004 -0.273 -3.368 1.00 0.00 C ATOM 621 C LEU A 56 -1.324 0.312 -1.995 1.00 0.00 C ATOM 622 O LEU A 56 -0.534 0.179 -1.063 1.00 0.00 O ATOM 623 CB LEU A 56 -1.786 -1.551 -3.586 1.00 0.00 C ATOM 624 CG LEU A 56 -1.983 -1.973 -5.048 1.00 0.00 C ATOM 625 CD1 LEU A 56 -0.754 -1.663 -5.903 1.00 0.00 C ATOM 626 CD2 LEU A 56 -2.296 -3.454 -5.115 1.00 0.00 C ATOM 0 H LEU A 56 0.753 -1.300 -2.899 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.284 0.481 -4.104 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.278 -2.359 -3.060 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -2.767 -1.437 -3.125 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.818 -1.398 -5.450 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.937 -1.978 -6.930 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.557 -0.591 -5.882 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.109 -2.199 -5.507 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.435 -3.750 -6.155 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.470 -4.020 -4.684 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -3.208 -3.659 -4.554 1.00 0.00 H new ATOM 638 N VAL A 57 -2.479 0.981 -1.877 1.00 0.00 N ATOM 639 CA VAL A 57 -2.864 1.590 -0.602 1.00 0.00 C ATOM 640 C VAL A 57 -4.361 1.389 -0.273 1.00 0.00 C ATOM 641 O VAL A 57 -5.224 1.846 -1.001 1.00 0.00 O ATOM 642 CB VAL A 57 -2.552 3.115 -0.627 1.00 0.00 C ATOM 643 CG1 VAL A 57 -1.107 3.385 -0.219 1.00 0.00 C ATOM 644 CG2 VAL A 57 -2.840 3.722 -1.994 1.00 0.00 C ATOM 0 H VAL A 57 -3.150 1.112 -2.634 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.283 1.091 0.173 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.211 3.592 0.098 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -0.916 4.458 -0.245 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.938 3.011 0.791 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.433 2.880 -0.911 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.611 4.787 -1.975 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -2.223 3.232 -2.747 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -3.893 3.582 -2.240 1.00 0.00 H new ATOM 654 N ARG A 58 -4.657 0.747 0.868 1.00 0.00 N ATOM 655 CA ARG A 58 -6.043 0.534 1.314 1.00 0.00 C ATOM 656 C ARG A 58 -6.367 1.443 2.517 1.00 0.00 C ATOM 657 O ARG A 58 -5.535 1.635 3.396 1.00 0.00 O ATOM 658 CB ARG A 58 -6.255 -0.958 1.674 1.00 0.00 C ATOM 659 CG ARG A 58 -7.296 -1.261 2.765 1.00 0.00 C ATOM 660 CD ARG A 58 -8.362 -2.202 2.258 1.00 0.00 C ATOM 661 NE ARG A 58 -9.072 -1.624 1.126 1.00 0.00 N ATOM 662 CZ ARG A 58 -10.239 -2.097 0.665 1.00 0.00 C ATOM 663 NH1 ARG A 58 -10.819 -3.145 1.244 1.00 0.00 N ATOM 664 NH2 ARG A 58 -10.831 -1.532 -0.375 1.00 0.00 N ATOM 0 H ARG A 58 -3.953 0.366 1.500 1.00 0.00 H new ATOM 0 HA ARG A 58 -6.723 0.796 0.503 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -6.546 -1.489 0.768 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -5.298 -1.371 1.992 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -6.801 -1.701 3.631 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -7.757 -0.332 3.099 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -7.907 -3.147 1.962 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -9.067 -2.424 3.059 1.00 0.00 H new ATOM 0 HE ARG A 58 -8.660 -0.816 0.659 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -10.376 -3.595 2.045 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -11.707 -3.498 0.887 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -10.400 -0.729 -0.833 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -11.719 -1.899 -0.718 1.00 0.00 H new ATOM 678 N THR A 59 -7.596 1.957 2.598 1.00 0.00 N ATOM 679 CA THR A 59 -7.975 2.793 3.729 1.00 0.00 C ATOM 680 C THR A 59 -9.018 2.091 4.574 1.00 0.00 C ATOM 681 O THR A 59 -9.992 1.555 4.047 1.00 0.00 O ATOM 682 CB THR A 59 -8.494 4.144 3.248 1.00 0.00 C ATOM 683 OG1 THR A 59 -8.777 4.995 4.344 1.00 0.00 O ATOM 684 CG2 THR A 59 -9.743 4.041 2.410 1.00 0.00 C ATOM 0 H THR A 59 -8.331 1.811 1.906 1.00 0.00 H new ATOM 0 HA THR A 59 -7.091 2.967 4.343 1.00 0.00 H new ATOM 0 HB THR A 59 -7.696 4.554 2.629 1.00 0.00 H new ATOM 0 HG1 THR A 59 -9.107 5.856 4.013 1.00 0.00 H new ATOM 0 HG21 THR A 59 -10.057 5.038 2.102 1.00 0.00 H new ATOM 0 HG22 THR A 59 -9.540 3.435 1.527 1.00 0.00 H new ATOM 0 HG23 THR A 59 -10.536 3.575 2.995 1.00 0.00 H new ATOM 692 N THR A 60 -8.795 2.092 5.886 1.00 0.00 N ATOM 693 CA THR A 60 -9.702 1.451 6.829 1.00 0.00 C ATOM 694 C THR A 60 -10.347 2.474 7.765 1.00 0.00 C ATOM 695 O THR A 60 -11.329 2.166 8.442 1.00 0.00 O ATOM 696 CB THR A 60 -8.962 0.389 7.645 1.00 0.00 C ATOM 697 OG1 THR A 60 -7.748 0.020 7.013 1.00 0.00 O ATOM 698 CG2 THR A 60 -9.770 -0.872 7.856 1.00 0.00 C ATOM 0 H THR A 60 -7.986 2.535 6.321 1.00 0.00 H new ATOM 0 HA THR A 60 -10.493 0.971 6.253 1.00 0.00 H new ATOM 0 HB THR A 60 -8.776 0.851 8.615 1.00 0.00 H new ATOM 0 HG1 THR A 60 -7.291 -0.659 7.553 1.00 0.00 H new ATOM 0 HG21 THR A 60 -9.188 -1.584 8.442 1.00 0.00 H new ATOM 0 HG22 THR A 60 -10.690 -0.630 8.389 1.00 0.00 H new ATOM 0 HG23 THR A 60 -10.016 -1.313 6.890 1.00 0.00 H new ATOM 706 N GLU A 61 -9.813 3.701 7.792 1.00 0.00 N ATOM 707 CA GLU A 61 -10.373 4.752 8.635 1.00 0.00 C ATOM 708 C GLU A 61 -11.502 5.504 7.921 1.00 0.00 C ATOM 709 O GLU A 61 -11.942 6.560 8.375 1.00 0.00 O ATOM 710 CB GLU A 61 -9.280 5.732 9.065 1.00 0.00 C ATOM 711 CG GLU A 61 -8.114 5.067 9.780 1.00 0.00 C ATOM 712 CD GLU A 61 -8.554 4.258 10.984 1.00 0.00 C ATOM 713 OE1 GLU A 61 -9.608 4.586 11.567 1.00 0.00 O ATOM 714 OE2 GLU A 61 -7.844 3.294 11.342 1.00 0.00 O ATOM 0 H GLU A 61 -9.001 3.984 7.243 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.793 4.275 9.520 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -8.905 6.255 8.185 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -9.716 6.485 9.721 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -7.588 4.416 9.082 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -7.405 5.831 10.099 1.00 0.00 H new ATOM 721 N ARG A 62 -11.974 4.940 6.814 1.00 0.00 N ATOM 722 CA ARG A 62 -13.046 5.513 6.038 1.00 0.00 C ATOM 723 C ARG A 62 -13.972 4.392 5.593 1.00 0.00 C ATOM 724 O ARG A 62 -13.706 3.706 4.606 1.00 0.00 O ATOM 725 CB ARG A 62 -12.474 6.245 4.827 1.00 0.00 C ATOM 726 CG ARG A 62 -12.354 7.743 5.028 1.00 0.00 C ATOM 727 CD ARG A 62 -12.568 8.501 3.727 1.00 0.00 C ATOM 728 NE ARG A 62 -13.338 9.727 3.928 1.00 0.00 N ATOM 729 CZ ARG A 62 -12.917 10.765 4.650 1.00 0.00 C ATOM 730 NH1 ARG A 62 -11.729 10.738 5.246 1.00 0.00 N ATOM 731 NH2 ARG A 62 -13.687 11.837 4.778 1.00 0.00 N ATOM 0 H ARG A 62 -11.614 4.064 6.434 1.00 0.00 H new ATOM 0 HA ARG A 62 -13.604 6.231 6.639 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -11.490 5.837 4.597 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -13.109 6.052 3.962 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -13.086 8.072 5.766 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -11.369 7.979 5.430 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -11.601 8.748 3.288 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -13.087 7.860 3.015 1.00 0.00 H new ATOM 0 HE ARG A 62 -14.256 9.792 3.488 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -11.130 9.917 5.153 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -11.416 11.538 5.796 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -14.600 11.866 4.324 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -13.366 12.632 5.330 1.00 0.00 H new ATOM 745 N SER A 63 -15.042 4.193 6.343 1.00 0.00 N ATOM 746 CA SER A 63 -15.994 3.131 6.045 1.00 0.00 C ATOM 747 C SER A 63 -16.996 3.570 4.973 1.00 0.00 C ATOM 748 O SER A 63 -17.630 4.616 5.112 1.00 0.00 O ATOM 749 CB SER A 63 -16.741 2.723 7.316 1.00 0.00 C ATOM 750 OG SER A 63 -16.844 3.812 8.219 1.00 0.00 O ATOM 0 H SER A 63 -15.276 4.752 7.164 1.00 0.00 H new ATOM 0 HA SER A 63 -15.436 2.277 5.662 1.00 0.00 H new ATOM 0 HB2 SER A 63 -17.738 2.366 7.057 1.00 0.00 H new ATOM 0 HB3 SER A 63 -16.221 1.895 7.798 1.00 0.00 H new ATOM 0 HG SER A 63 -17.327 3.526 9.022 1.00 0.00 H new ATOM 756 N PRO A 64 -17.163 2.786 3.878 1.00 0.00 N ATOM 757 CA PRO A 64 -16.439 1.522 3.644 1.00 0.00 C ATOM 758 C PRO A 64 -14.998 1.751 3.180 1.00 0.00 C ATOM 759 O PRO A 64 -14.706 2.757 2.532 1.00 0.00 O ATOM 760 CB PRO A 64 -17.256 0.856 2.541 1.00 0.00 C ATOM 761 CG PRO A 64 -17.840 1.990 1.775 1.00 0.00 C ATOM 762 CD PRO A 64 -18.093 3.089 2.773 1.00 0.00 C ATOM 0 HA PRO A 64 -16.350 0.926 4.552 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -16.630 0.229 1.906 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -18.034 0.214 2.955 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -17.157 2.324 0.994 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -18.766 1.691 1.283 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -17.897 4.071 2.344 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -19.129 3.090 3.112 1.00 0.00 H new ATOM 770 N PRO A 65 -14.071 0.815 3.492 1.00 0.00 N ATOM 771 CA PRO A 65 -12.663 0.934 3.085 1.00 0.00 C ATOM 772 C PRO A 65 -12.518 1.270 1.613 1.00 0.00 C ATOM 773 O PRO A 65 -13.467 1.149 0.838 1.00 0.00 O ATOM 774 CB PRO A 65 -12.091 -0.455 3.369 1.00 0.00 C ATOM 775 CG PRO A 65 -12.942 -0.996 4.467 1.00 0.00 C ATOM 776 CD PRO A 65 -14.320 -0.429 4.251 1.00 0.00 C ATOM 0 HA PRO A 65 -12.153 1.737 3.616 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -12.135 -1.090 2.484 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -11.045 -0.399 3.670 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -12.962 -2.086 4.443 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -12.550 -0.706 5.442 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -14.954 -1.118 3.693 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -14.823 -0.227 5.197 1.00 0.00 H new ATOM 784 N GLN A 66 -11.324 1.690 1.233 1.00 0.00 N ATOM 785 CA GLN A 66 -11.042 2.041 -0.128 1.00 0.00 C ATOM 786 C GLN A 66 -9.659 1.533 -0.490 1.00 0.00 C ATOM 787 O GLN A 66 -8.904 1.120 0.388 1.00 0.00 O ATOM 788 CB GLN A 66 -11.156 3.552 -0.303 1.00 0.00 C ATOM 789 CG GLN A 66 -12.139 3.953 -1.379 1.00 0.00 C ATOM 790 CD GLN A 66 -11.646 5.110 -2.225 1.00 0.00 C ATOM 791 OE1 GLN A 66 -11.771 5.096 -3.451 1.00 0.00 O ATOM 792 NE2 GLN A 66 -11.080 6.120 -1.575 1.00 0.00 N ATOM 0 H GLN A 66 -10.531 1.794 1.866 1.00 0.00 H new ATOM 0 HA GLN A 66 -11.764 1.578 -0.800 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -11.460 3.999 0.643 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -10.174 3.958 -0.547 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -12.335 3.096 -2.023 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -13.087 4.226 -0.915 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -10.997 6.090 -0.559 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -10.728 6.926 -2.092 1.00 0.00 H new ATOM 801 N GLU A 67 -9.327 1.537 -1.771 1.00 0.00 N ATOM 802 CA GLU A 67 -8.033 1.045 -2.197 1.00 0.00 C ATOM 803 C GLU A 67 -7.435 1.941 -3.258 1.00 0.00 C ATOM 804 O GLU A 67 -8.149 2.615 -3.998 1.00 0.00 O ATOM 805 CB GLU A 67 -8.089 -0.404 -2.701 1.00 0.00 C ATOM 806 CG GLU A 67 -9.465 -0.906 -3.130 1.00 0.00 C ATOM 807 CD GLU A 67 -9.470 -1.492 -4.530 1.00 0.00 C ATOM 808 OE1 GLU A 67 -8.388 -1.886 -5.013 1.00 0.00 O ATOM 809 OE2 GLU A 67 -10.557 -1.559 -5.140 1.00 0.00 O ATOM 0 H GLU A 67 -9.929 1.872 -2.523 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.393 1.059 -1.315 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -7.408 -0.501 -3.547 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.714 -1.057 -1.913 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -9.807 -1.663 -2.424 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -10.177 -0.082 -3.084 1.00 0.00 H new ATOM 816 N GLY A 68 -6.118 1.954 -3.298 1.00 0.00 N ATOM 817 CA GLY A 68 -5.414 2.804 -4.243 1.00 0.00 C ATOM 818 C GLY A 68 -4.235 2.132 -4.910 1.00 0.00 C ATOM 819 O GLY A 68 -3.799 1.059 -4.495 1.00 0.00 O ATOM 0 H GLY A 68 -5.517 1.393 -2.695 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -6.114 3.134 -5.011 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -5.065 3.697 -3.724 1.00 0.00 H new ATOM 823 N LEU A 69 -3.718 2.781 -5.949 1.00 0.00 N ATOM 824 CA LEU A 69 -2.582 2.261 -6.689 1.00 0.00 C ATOM 825 C LEU A 69 -1.620 3.367 -7.099 1.00 0.00 C ATOM 826 O LEU A 69 -2.020 4.386 -7.662 1.00 0.00 O ATOM 827 CB LEU A 69 -3.055 1.504 -7.923 1.00 0.00 C ATOM 828 CG LEU A 69 -3.285 0.018 -7.692 1.00 0.00 C ATOM 829 CD1 LEU A 69 -4.629 -0.223 -7.013 1.00 0.00 C ATOM 830 CD2 LEU A 69 -3.194 -0.742 -9.006 1.00 0.00 C ATOM 0 H LEU A 69 -4.073 3.672 -6.296 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.047 1.579 -6.028 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.983 1.953 -8.278 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.318 1.627 -8.716 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.505 -0.353 -7.028 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.772 -1.292 -6.858 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.647 0.289 -6.051 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.430 0.162 -7.644 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.361 -1.804 -8.825 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.951 -0.368 -9.696 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.205 -0.599 -9.441 1.00 0.00 H new ATOM 842 N VAL A 70 -0.349 3.138 -6.818 1.00 0.00 N ATOM 843 CA VAL A 70 0.709 4.081 -7.154 1.00 0.00 C ATOM 844 C VAL A 70 2.028 3.335 -7.155 1.00 0.00 C ATOM 845 O VAL A 70 2.071 2.174 -6.753 1.00 0.00 O ATOM 846 CB VAL A 70 0.789 5.272 -6.165 1.00 0.00 C ATOM 847 CG1 VAL A 70 -0.003 6.455 -6.698 1.00 0.00 C ATOM 848 CG2 VAL A 70 0.303 4.886 -4.768 1.00 0.00 C ATOM 0 H VAL A 70 -0.019 2.294 -6.350 1.00 0.00 H new ATOM 0 HA VAL A 70 0.488 4.501 -8.135 1.00 0.00 H new ATOM 0 HB VAL A 70 1.837 5.558 -6.077 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.062 7.284 -5.993 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.407 6.764 -7.660 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.047 6.167 -6.824 1.00 0.00 H new ATOM 0 HG21 VAL A 70 0.376 5.749 -4.106 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.735 4.556 -4.822 1.00 0.00 H new ATOM 0 HG23 VAL A 70 0.921 4.077 -4.378 1.00 0.00 H new ATOM 858 N PRO A 71 3.133 3.955 -7.584 1.00 0.00 N ATOM 859 CA PRO A 71 4.397 3.280 -7.579 1.00 0.00 C ATOM 860 C PRO A 71 5.085 3.412 -6.233 1.00 0.00 C ATOM 861 O PRO A 71 4.846 4.358 -5.487 1.00 0.00 O ATOM 862 CB PRO A 71 5.187 3.957 -8.687 1.00 0.00 C ATOM 863 CG PRO A 71 4.543 5.300 -8.886 1.00 0.00 C ATOM 864 CD PRO A 71 3.261 5.325 -8.080 1.00 0.00 C ATOM 0 HA PRO A 71 4.300 2.207 -7.744 1.00 0.00 H new ATOM 0 HB2 PRO A 71 6.236 4.063 -8.411 1.00 0.00 H new ATOM 0 HB3 PRO A 71 5.157 3.369 -9.604 1.00 0.00 H new ATOM 0 HG2 PRO A 71 5.213 6.096 -8.562 1.00 0.00 H new ATOM 0 HG3 PRO A 71 4.333 5.470 -9.942 1.00 0.00 H new ATOM 0 HD2 PRO A 71 3.317 6.043 -7.262 1.00 0.00 H new ATOM 0 HD3 PRO A 71 2.407 5.609 -8.695 1.00 0.00 H new ATOM 872 N SER A 72 5.936 2.447 -5.931 1.00 0.00 N ATOM 873 CA SER A 72 6.680 2.410 -4.676 1.00 0.00 C ATOM 874 C SER A 72 7.336 3.755 -4.372 1.00 0.00 C ATOM 875 O SER A 72 7.571 4.089 -3.214 1.00 0.00 O ATOM 876 CB SER A 72 7.745 1.313 -4.726 1.00 0.00 C ATOM 877 OG SER A 72 8.370 1.150 -3.465 1.00 0.00 O ATOM 0 H SER A 72 6.134 1.661 -6.550 1.00 0.00 H new ATOM 0 HA SER A 72 5.971 2.192 -3.877 1.00 0.00 H new ATOM 0 HB2 SER A 72 7.288 0.372 -5.033 1.00 0.00 H new ATOM 0 HB3 SER A 72 8.494 1.563 -5.477 1.00 0.00 H new ATOM 0 HG SER A 72 7.686 1.109 -2.764 1.00 0.00 H new ATOM 883 N SER A 73 7.615 4.535 -5.414 1.00 0.00 N ATOM 884 CA SER A 73 8.222 5.848 -5.236 1.00 0.00 C ATOM 885 C SER A 73 7.339 6.724 -4.350 1.00 0.00 C ATOM 886 O SER A 73 7.833 7.568 -3.603 1.00 0.00 O ATOM 887 CB SER A 73 8.440 6.524 -6.590 1.00 0.00 C ATOM 888 OG SER A 73 7.245 6.533 -7.354 1.00 0.00 O ATOM 0 H SER A 73 7.431 4.281 -6.385 1.00 0.00 H new ATOM 0 HA SER A 73 9.189 5.718 -4.751 1.00 0.00 H new ATOM 0 HB2 SER A 73 8.786 7.546 -6.438 1.00 0.00 H new ATOM 0 HB3 SER A 73 9.223 6.001 -7.139 1.00 0.00 H new ATOM 0 HG SER A 73 7.410 6.972 -8.214 1.00 0.00 H new ATOM 894 N THR A 74 6.025 6.511 -4.436 1.00 0.00 N ATOM 895 CA THR A 74 5.067 7.267 -3.649 1.00 0.00 C ATOM 896 C THR A 74 4.591 6.470 -2.444 1.00 0.00 C ATOM 897 O THR A 74 3.859 6.990 -1.611 1.00 0.00 O ATOM 898 CB THR A 74 3.868 7.641 -4.515 1.00 0.00 C ATOM 899 OG1 THR A 74 2.874 6.633 -4.487 1.00 0.00 O ATOM 900 CG2 THR A 74 4.237 7.877 -5.954 1.00 0.00 C ATOM 0 H THR A 74 5.604 5.814 -5.050 1.00 0.00 H new ATOM 0 HA THR A 74 5.563 8.169 -3.291 1.00 0.00 H new ATOM 0 HB THR A 74 3.487 8.568 -4.087 1.00 0.00 H new ATOM 0 HG1 THR A 74 2.249 6.810 -3.753 1.00 0.00 H new ATOM 0 HG21 THR A 74 3.343 8.139 -6.520 1.00 0.00 H new ATOM 0 HG22 THR A 74 4.958 8.692 -6.016 1.00 0.00 H new ATOM 0 HG23 THR A 74 4.677 6.971 -6.370 1.00 0.00 H new ATOM 908 N LEU A 75 5.001 5.210 -2.366 1.00 0.00 N ATOM 909 CA LEU A 75 4.626 4.337 -1.288 1.00 0.00 C ATOM 910 C LEU A 75 5.866 3.869 -0.543 1.00 0.00 C ATOM 911 O LEU A 75 6.983 4.289 -0.836 1.00 0.00 O ATOM 912 CB LEU A 75 3.849 3.148 -1.849 1.00 0.00 C ATOM 913 CG LEU A 75 2.578 3.534 -2.621 1.00 0.00 C ATOM 914 CD1 LEU A 75 2.740 3.265 -4.117 1.00 0.00 C ATOM 915 CD2 LEU A 75 1.352 2.804 -2.076 1.00 0.00 C ATOM 0 H LEU A 75 5.607 4.773 -3.060 1.00 0.00 H new ATOM 0 HA LEU A 75 3.990 4.874 -0.585 1.00 0.00 H new ATOM 0 HB2 LEU A 75 4.504 2.580 -2.510 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.575 2.487 -1.027 1.00 0.00 H new ATOM 0 HG LEU A 75 2.424 4.604 -2.480 1.00 0.00 H new ATOM 0 HD11 LEU A 75 1.825 3.547 -4.639 1.00 0.00 H new ATOM 0 HD12 LEU A 75 3.574 3.851 -4.504 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.936 2.205 -4.277 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.470 3.100 -2.644 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.499 1.728 -2.168 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.211 3.063 -1.027 1.00 0.00 H new ATOM 927 N CYS A 76 5.659 3.003 0.421 1.00 0.00 N ATOM 928 CA CYS A 76 6.757 2.466 1.225 1.00 0.00 C ATOM 929 C CYS A 76 7.791 1.768 0.345 1.00 0.00 C ATOM 930 O CYS A 76 7.444 0.955 -0.511 1.00 0.00 O ATOM 931 CB CYS A 76 6.230 1.487 2.274 1.00 0.00 C ATOM 932 SG CYS A 76 7.501 0.848 3.391 1.00 0.00 S ATOM 0 H CYS A 76 4.738 2.647 0.677 1.00 0.00 H new ATOM 0 HA CYS A 76 7.237 3.305 1.730 1.00 0.00 H new ATOM 0 HB2 CYS A 76 5.459 1.983 2.864 1.00 0.00 H new ATOM 0 HB3 CYS A 76 5.753 0.649 1.766 1.00 0.00 H new ATOM 0 HG CYS A 76 6.958 0.030 4.243 1.00 0.00 H new ATOM 938 N ILE A 77 9.062 2.094 0.562 1.00 0.00 N ATOM 939 CA ILE A 77 10.147 1.499 -0.209 1.00 0.00 C ATOM 940 C ILE A 77 11.123 0.757 0.698 1.00 0.00 C ATOM 941 O ILE A 77 11.302 1.120 1.861 1.00 0.00 O ATOM 942 CB ILE A 77 10.918 2.566 -1.010 1.00 0.00 C ATOM 943 CG1 ILE A 77 11.448 3.654 -0.075 1.00 0.00 C ATOM 944 CG2 ILE A 77 10.026 3.170 -2.084 1.00 0.00 C ATOM 945 CD1 ILE A 77 12.355 4.651 -0.761 1.00 0.00 C ATOM 0 H ILE A 77 9.365 2.767 1.266 1.00 0.00 H new ATOM 0 HA ILE A 77 9.691 0.793 -0.903 1.00 0.00 H new ATOM 0 HB ILE A 77 11.768 2.088 -1.498 1.00 0.00 H new ATOM 0 HG12 ILE A 77 10.605 4.186 0.366 1.00 0.00 H new ATOM 0 HG13 ILE A 77 11.992 3.184 0.744 1.00 0.00 H new ATOM 0 HG21 ILE A 77 10.585 3.922 -2.641 1.00 0.00 H new ATOM 0 HG22 ILE A 77 9.695 2.386 -2.765 1.00 0.00 H new ATOM 0 HG23 ILE A 77 9.158 3.636 -1.617 1.00 0.00 H new ATOM 0 HD11 ILE A 77 12.693 5.393 -0.038 1.00 0.00 H new ATOM 0 HD12 ILE A 77 13.218 4.131 -1.178 1.00 0.00 H new ATOM 0 HD13 ILE A 77 11.809 5.148 -1.563 1.00 0.00 H new ATOM 957 N SER A 78 11.751 -0.282 0.160 1.00 0.00 N ATOM 958 CA SER A 78 12.709 -1.074 0.922 1.00 0.00 C ATOM 959 C SER A 78 12.044 -1.710 2.139 1.00 0.00 C ATOM 960 O SER A 78 11.907 -1.076 3.186 1.00 0.00 O ATOM 961 CB SER A 78 13.886 -0.203 1.366 1.00 0.00 C ATOM 962 OG SER A 78 14.731 0.108 0.273 1.00 0.00 O ATOM 0 H SER A 78 11.614 -0.596 -0.801 1.00 0.00 H new ATOM 0 HA SER A 78 13.079 -1.870 0.276 1.00 0.00 H new ATOM 0 HB2 SER A 78 13.512 0.718 1.814 1.00 0.00 H new ATOM 0 HB3 SER A 78 14.457 -0.723 2.135 1.00 0.00 H new ATOM 0 HG SER A 78 15.474 0.667 0.583 1.00 0.00 H new ATOM 968 N HIS A 79 11.630 -2.964 1.993 1.00 0.00 N ATOM 969 CA HIS A 79 10.977 -3.687 3.081 1.00 0.00 C ATOM 970 C HIS A 79 11.754 -4.949 3.439 1.00 0.00 C ATOM 971 O HIS A 79 12.382 -5.568 2.579 1.00 0.00 O ATOM 972 CB HIS A 79 9.544 -4.050 2.691 1.00 0.00 C ATOM 973 CG HIS A 79 8.621 -4.184 3.861 1.00 0.00 C ATOM 974 ND1 HIS A 79 8.137 -5.398 4.302 1.00 0.00 N ATOM 975 CD2 HIS A 79 8.093 -3.249 4.686 1.00 0.00 C ATOM 976 CE1 HIS A 79 7.350 -5.204 5.346 1.00 0.00 C ATOM 977 NE2 HIS A 79 7.308 -3.910 5.600 1.00 0.00 N ATOM 0 H HIS A 79 11.734 -3.502 1.133 1.00 0.00 H new ATOM 0 HA HIS A 79 10.955 -3.036 3.955 1.00 0.00 H new ATOM 0 HB2 HIS A 79 9.155 -3.286 2.017 1.00 0.00 H new ATOM 0 HB3 HIS A 79 9.554 -4.989 2.137 1.00 0.00 H new ATOM 0 HD2 HIS A 79 8.258 -2.183 4.635 1.00 0.00 H new ATOM 0 HE1 HIS A 79 6.830 -5.974 5.897 1.00 0.00 H new ATOM 0 HE2 HIS A 79 6.778 -3.471 6.353 1.00 0.00 H new ATOM 986 N SER A 80 11.706 -5.327 4.712 1.00 0.00 N ATOM 987 CA SER A 80 12.405 -6.516 5.183 1.00 0.00 C ATOM 988 C SER A 80 11.838 -7.774 4.534 1.00 0.00 C ATOM 989 O SER A 80 10.626 -7.996 4.540 1.00 0.00 O ATOM 990 CB SER A 80 12.303 -6.624 6.705 1.00 0.00 C ATOM 991 OG SER A 80 12.163 -5.345 7.299 1.00 0.00 O ATOM 0 H SER A 80 11.190 -4.827 5.436 1.00 0.00 H new ATOM 0 HA SER A 80 13.454 -6.425 4.901 1.00 0.00 H new ATOM 0 HB2 SER A 80 11.450 -7.248 6.972 1.00 0.00 H new ATOM 0 HB3 SER A 80 13.193 -7.116 7.098 1.00 0.00 H new ATOM 0 HG SER A 80 12.098 -5.442 8.272 1.00 0.00 H new TER 997 SER A 80