USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 437 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 NoAdj-H: A 36 HIS HE2 : A 36 HIS NE2 : A 101 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00543) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot -30:sc= 0.00452 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=-0.079) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 159:sc= -0.0226 (180deg=-0.646) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 ASN : amide:sc=-0.00382 K(o=-0.0038,f=-0.66) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 39.336 32.527 -0.524 1.00 0.00 N ATOM 2 CA GLY A 1 38.806 32.741 -1.896 1.00 0.00 C ATOM 3 C GLY A 1 38.236 31.459 -2.494 1.00 0.00 C ATOM 4 O GLY A 1 38.947 30.732 -3.191 1.00 0.00 O ATOM 0 H1 GLY A 1 39.714 33.423 -0.154 1.00 0.00 H new ATOM 0 H2 GLY A 1 38.571 32.192 0.095 1.00 0.00 H new ATOM 0 H3 GLY A 1 40.095 31.816 -0.552 1.00 0.00 H new ATOM 0 HA2 GLY A 1 38.029 33.505 -1.870 1.00 0.00 H new ATOM 0 HA3 GLY A 1 39.602 33.118 -2.538 1.00 0.00 H new ATOM 10 N SER A 2 36.952 31.174 -2.221 1.00 0.00 N ATOM 11 CA SER A 2 36.163 30.050 -2.788 1.00 0.00 C ATOM 12 C SER A 2 36.786 28.641 -2.656 1.00 0.00 C ATOM 13 O SER A 2 36.489 27.742 -3.447 1.00 0.00 O ATOM 14 CB SER A 2 35.772 30.355 -4.247 1.00 0.00 C ATOM 15 OG SER A 2 35.135 31.624 -4.359 1.00 0.00 O ATOM 0 H SER A 2 36.405 31.740 -1.572 1.00 0.00 H new ATOM 0 HA SER A 2 35.273 29.993 -2.161 1.00 0.00 H new ATOM 0 HB2 SER A 2 36.662 30.336 -4.876 1.00 0.00 H new ATOM 0 HB3 SER A 2 35.104 29.577 -4.617 1.00 0.00 H new ATOM 0 HG SER A 2 34.900 31.791 -5.296 1.00 0.00 H new ATOM 21 N GLU A 3 37.657 28.422 -1.665 1.00 0.00 N ATOM 22 CA GLU A 3 38.299 27.124 -1.406 1.00 0.00 C ATOM 23 C GLU A 3 37.340 26.161 -0.676 1.00 0.00 C ATOM 24 O GLU A 3 36.753 26.511 0.353 1.00 0.00 O ATOM 25 CB GLU A 3 39.592 27.354 -0.599 1.00 0.00 C ATOM 26 CG GLU A 3 40.396 26.058 -0.385 1.00 0.00 C ATOM 27 CD GLU A 3 41.785 26.343 0.237 1.00 0.00 C ATOM 28 OE1 GLU A 3 41.847 27.033 1.308 1.00 0.00 O ATOM 29 OE2 GLU A 3 42.812 25.847 -0.333 1.00 0.00 O1- ATOM 0 H GLU A 3 37.941 29.150 -1.010 1.00 0.00 H new ATOM 0 HA GLU A 3 38.553 26.653 -2.356 1.00 0.00 H new ATOM 0 HB2 GLU A 3 40.215 28.082 -1.118 1.00 0.00 H new ATOM 0 HB3 GLU A 3 39.339 27.784 0.370 1.00 0.00 H new ATOM 0 HG2 GLU A 3 39.837 25.386 0.266 1.00 0.00 H new ATOM 0 HG3 GLU A 3 40.522 25.546 -1.339 1.00 0.00 H new ATOM 36 N PHE A 4 37.228 24.928 -1.182 1.00 0.00 N ATOM 37 CA PHE A 4 36.429 23.837 -0.606 1.00 0.00 C ATOM 38 C PHE A 4 37.177 22.499 -0.721 1.00 0.00 C ATOM 39 O PHE A 4 37.783 22.194 -1.754 1.00 0.00 O ATOM 40 CB PHE A 4 35.064 23.745 -1.316 1.00 0.00 C ATOM 41 CG PHE A 4 34.019 24.734 -0.827 1.00 0.00 C ATOM 42 CD1 PHE A 4 33.942 26.027 -1.381 1.00 0.00 C ATOM 43 CD2 PHE A 4 33.108 24.352 0.178 1.00 0.00 C ATOM 44 CE1 PHE A 4 32.971 26.937 -0.923 1.00 0.00 C ATOM 45 CE2 PHE A 4 32.131 25.258 0.629 1.00 0.00 C ATOM 46 CZ PHE A 4 32.064 26.552 0.082 1.00 0.00 C ATOM 0 H PHE A 4 37.710 24.650 -2.037 1.00 0.00 H new ATOM 0 HA PHE A 4 36.264 24.051 0.450 1.00 0.00 H new ATOM 0 HB2 PHE A 4 35.216 23.898 -2.384 1.00 0.00 H new ATOM 0 HB3 PHE A 4 34.673 22.735 -1.191 1.00 0.00 H new ATOM 0 HD1 PHE A 4 34.630 26.321 -2.160 1.00 0.00 H new ATOM 0 HD2 PHE A 4 33.160 23.361 0.603 1.00 0.00 H new ATOM 0 HE1 PHE A 4 32.922 27.931 -1.343 1.00 0.00 H new ATOM 0 HE2 PHE A 4 31.432 24.960 1.396 1.00 0.00 H new ATOM 0 HZ PHE A 4 31.318 27.249 0.433 1.00 0.00 H new ATOM 56 N THR A 5 37.112 21.692 0.340 1.00 0.00 N ATOM 57 CA THR A 5 37.762 20.373 0.468 1.00 0.00 C ATOM 58 C THR A 5 36.927 19.487 1.402 1.00 0.00 C ATOM 59 O THR A 5 36.303 19.988 2.342 1.00 0.00 O ATOM 60 CB THR A 5 39.189 20.514 1.050 1.00 0.00 C ATOM 61 OG1 THR A 5 39.937 21.513 0.382 1.00 0.00 O ATOM 62 CG2 THR A 5 40.012 19.227 0.952 1.00 0.00 C ATOM 0 H THR A 5 36.583 21.946 1.174 1.00 0.00 H new ATOM 0 HA THR A 5 37.831 19.924 -0.523 1.00 0.00 H new ATOM 0 HB THR A 5 39.024 20.773 2.096 1.00 0.00 H new ATOM 0 HG1 THR A 5 40.831 21.573 0.779 1.00 0.00 H new ATOM 0 HG21 THR A 5 41.001 19.395 1.378 1.00 0.00 H new ATOM 0 HG22 THR A 5 39.510 18.431 1.503 1.00 0.00 H new ATOM 0 HG23 THR A 5 40.111 18.937 -0.094 1.00 0.00 H new ATOM 70 N SER A 6 36.903 18.172 1.163 1.00 0.00 N ATOM 71 CA SER A 6 36.223 17.196 2.032 1.00 0.00 C ATOM 72 C SER A 6 36.798 17.171 3.460 1.00 0.00 C ATOM 73 O SER A 6 38.015 17.231 3.668 1.00 0.00 O ATOM 74 CB SER A 6 36.273 15.796 1.399 1.00 0.00 C ATOM 75 OG SER A 6 37.586 15.450 0.978 1.00 0.00 O ATOM 0 H SER A 6 37.358 17.748 0.355 1.00 0.00 H new ATOM 0 HA SER A 6 35.184 17.513 2.121 1.00 0.00 H new ATOM 0 HB2 SER A 6 35.917 15.059 2.119 1.00 0.00 H new ATOM 0 HB3 SER A 6 35.597 15.760 0.545 1.00 0.00 H new ATOM 0 HG SER A 6 37.577 14.553 0.583 1.00 0.00 H new ATOM 81 N SER A 7 35.914 17.088 4.459 1.00 0.00 N ATOM 82 CA SER A 7 36.276 16.987 5.884 1.00 0.00 C ATOM 83 C SER A 7 37.000 15.665 6.211 1.00 0.00 C ATOM 84 O SER A 7 36.753 14.655 5.539 1.00 0.00 O ATOM 85 CB SER A 7 35.011 17.093 6.749 1.00 0.00 C ATOM 86 OG SER A 7 34.354 18.331 6.513 1.00 0.00 O ATOM 0 H SER A 7 34.906 17.089 4.301 1.00 0.00 H new ATOM 0 HA SER A 7 36.960 17.807 6.103 1.00 0.00 H new ATOM 0 HB2 SER A 7 34.337 16.267 6.522 1.00 0.00 H new ATOM 0 HB3 SER A 7 35.275 17.009 7.803 1.00 0.00 H new ATOM 0 HG SER A 7 33.549 18.385 7.069 1.00 0.00 H new ATOM 92 N PRO A 8 37.859 15.619 7.251 1.00 0.00 N ATOM 93 CA PRO A 8 38.541 14.390 7.668 1.00 0.00 C ATOM 94 C PRO A 8 37.564 13.353 8.251 1.00 0.00 C ATOM 95 O PRO A 8 36.578 13.703 8.909 1.00 0.00 O ATOM 96 CB PRO A 8 39.586 14.835 8.699 1.00 0.00 C ATOM 97 CG PRO A 8 38.995 16.114 9.287 1.00 0.00 C ATOM 98 CD PRO A 8 38.261 16.735 8.099 1.00 0.00 C ATOM 0 HA PRO A 8 39.004 13.887 6.820 1.00 0.00 H new ATOM 0 HB2 PRO A 8 39.740 14.076 9.466 1.00 0.00 H new ATOM 0 HB3 PRO A 8 40.554 15.019 8.234 1.00 0.00 H new ATOM 0 HG2 PRO A 8 38.317 15.902 10.114 1.00 0.00 H new ATOM 0 HG3 PRO A 8 39.770 16.776 9.673 1.00 0.00 H new ATOM 0 HD2 PRO A 8 37.394 17.306 8.431 1.00 0.00 H new ATOM 0 HD3 PRO A 8 38.908 17.424 7.557 1.00 0.00 H new ATOM 106 N ARG A 9 37.862 12.065 8.028 1.00 0.00 N ATOM 107 CA ARG A 9 37.090 10.893 8.496 1.00 0.00 C ATOM 108 C ARG A 9 38.044 9.743 8.849 1.00 0.00 C ATOM 109 O ARG A 9 39.075 9.578 8.189 1.00 0.00 O ATOM 110 CB ARG A 9 36.099 10.428 7.405 1.00 0.00 C ATOM 111 CG ARG A 9 35.127 11.521 6.925 1.00 0.00 C ATOM 112 CD ARG A 9 34.102 10.967 5.926 1.00 0.00 C ATOM 113 NE ARG A 9 33.334 12.049 5.275 1.00 0.00 N ATOM 114 CZ ARG A 9 32.310 12.725 5.767 1.00 0.00 C ATOM 115 NH1 ARG A 9 31.825 12.496 6.956 1.00 0.00 N1+ ATOM 116 NH2 ARG A 9 31.745 13.664 5.062 1.00 0.00 N ATOM 0 H ARG A 9 38.686 11.794 7.491 1.00 0.00 H new ATOM 0 HA ARG A 9 36.527 11.182 9.384 1.00 0.00 H new ATOM 0 HB2 ARG A 9 36.665 10.060 6.549 1.00 0.00 H new ATOM 0 HB3 ARG A 9 35.521 9.588 7.790 1.00 0.00 H new ATOM 0 HG2 ARG A 9 34.606 11.948 7.782 1.00 0.00 H new ATOM 0 HG3 ARG A 9 35.690 12.330 6.459 1.00 0.00 H new ATOM 0 HD2 ARG A 9 34.616 10.378 5.167 1.00 0.00 H new ATOM 0 HD3 ARG A 9 33.417 10.294 6.442 1.00 0.00 H new ATOM 0 HE ARG A 9 33.630 12.305 4.333 1.00 0.00 H new ATOM 0 HH11 ARG A 9 32.237 11.772 7.544 1.00 0.00 H new ATOM 0 HH12 ARG A 9 31.033 13.041 7.298 1.00 0.00 H new ATOM 0 HH21 ARG A 9 32.093 13.879 4.128 1.00 0.00 H new ATOM 0 HH22 ARG A 9 30.955 14.184 5.445 1.00 0.00 H new ATOM 130 N GLY A 10 37.713 8.944 9.867 1.00 0.00 N ATOM 131 CA GLY A 10 38.567 7.837 10.329 1.00 0.00 C ATOM 132 C GLY A 10 38.332 7.419 11.785 1.00 0.00 C ATOM 133 O GLY A 10 39.243 7.528 12.609 1.00 0.00 O ATOM 0 H GLY A 10 36.847 9.043 10.396 1.00 0.00 H new ATOM 0 HA2 GLY A 10 38.401 6.973 9.685 1.00 0.00 H new ATOM 0 HA3 GLY A 10 39.611 8.127 10.211 1.00 0.00 H new ATOM 137 N ASP A 11 37.119 6.968 12.120 1.00 0.00 N ATOM 138 CA ASP A 11 36.749 6.508 13.471 1.00 0.00 C ATOM 139 C ASP A 11 35.800 5.290 13.428 1.00 0.00 C ATOM 140 O ASP A 11 35.062 5.091 12.456 1.00 0.00 O ATOM 141 CB ASP A 11 36.120 7.684 14.245 1.00 0.00 C ATOM 142 CG ASP A 11 35.843 7.361 15.729 1.00 0.00 C ATOM 143 OD1 ASP A 11 36.675 6.643 16.355 1.00 0.00 O1- ATOM 144 OD2 ASP A 11 34.809 7.826 16.264 1.00 0.00 O ATOM 0 H ASP A 11 36.351 6.910 11.452 1.00 0.00 H new ATOM 0 HA ASP A 11 37.649 6.174 13.987 1.00 0.00 H new ATOM 0 HB2 ASP A 11 36.785 8.546 14.186 1.00 0.00 H new ATOM 0 HB3 ASP A 11 35.185 7.969 13.762 1.00 0.00 H new ATOM 149 N LYS A 12 35.812 4.479 14.496 1.00 0.00 N ATOM 150 CA LYS A 12 35.004 3.257 14.658 1.00 0.00 C ATOM 151 C LYS A 12 34.718 3.002 16.147 1.00 0.00 C ATOM 152 O LYS A 12 35.644 2.968 16.960 1.00 0.00 O ATOM 153 CB LYS A 12 35.767 2.074 14.017 1.00 0.00 C ATOM 154 CG LYS A 12 34.929 0.807 13.771 1.00 0.00 C ATOM 155 CD LYS A 12 33.868 1.000 12.671 1.00 0.00 C ATOM 156 CE LYS A 12 33.184 -0.315 12.263 1.00 0.00 C ATOM 157 NZ LYS A 12 34.081 -1.200 11.469 1.00 0.00 N1+ ATOM 0 H LYS A 12 36.408 4.662 15.304 1.00 0.00 H new ATOM 0 HA LYS A 12 34.042 3.371 14.159 1.00 0.00 H new ATOM 0 HB2 LYS A 12 36.184 2.405 13.066 1.00 0.00 H new ATOM 0 HB3 LYS A 12 36.608 1.814 14.660 1.00 0.00 H new ATOM 0 HG2 LYS A 12 35.591 -0.013 13.492 1.00 0.00 H new ATOM 0 HG3 LYS A 12 34.436 0.517 14.699 1.00 0.00 H new ATOM 0 HD2 LYS A 12 33.112 1.703 13.021 1.00 0.00 H new ATOM 0 HD3 LYS A 12 34.338 1.447 11.795 1.00 0.00 H new ATOM 0 HE2 LYS A 12 32.856 -0.844 13.158 1.00 0.00 H new ATOM 0 HE3 LYS A 12 32.291 -0.091 11.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 33.564 -2.058 11.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 34.401 -0.696 10.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 34.905 -1.465 12.045 1.00 0.00 H new ATOM 171 N ALA A 13 33.441 2.823 16.494 1.00 0.00 N ATOM 172 CA ALA A 13 32.950 2.718 17.880 1.00 0.00 C ATOM 173 C ALA A 13 31.854 1.637 18.048 1.00 0.00 C ATOM 174 O ALA A 13 31.026 1.703 18.959 1.00 0.00 O ATOM 175 CB ALA A 13 32.489 4.117 18.319 1.00 0.00 C ATOM 0 H ALA A 13 32.695 2.744 15.803 1.00 0.00 H new ATOM 0 HA ALA A 13 33.755 2.380 18.532 1.00 0.00 H new ATOM 0 HB1 ALA A 13 32.119 4.073 19.343 1.00 0.00 H new ATOM 0 HB2 ALA A 13 33.329 4.810 18.266 1.00 0.00 H new ATOM 0 HB3 ALA A 13 31.692 4.461 17.660 1.00 0.00 H new ATOM 181 N ALA A 14 31.840 0.635 17.161 1.00 0.00 N ATOM 182 CA ALA A 14 30.851 -0.447 17.061 1.00 0.00 C ATOM 183 C ALA A 14 30.921 -1.510 18.193 1.00 0.00 C ATOM 184 O ALA A 14 30.653 -2.691 17.960 1.00 0.00 O ATOM 185 CB ALA A 14 31.006 -1.061 15.660 1.00 0.00 C ATOM 0 H ALA A 14 32.565 0.552 16.448 1.00 0.00 H new ATOM 0 HA ALA A 14 29.856 -0.025 17.201 1.00 0.00 H new ATOM 0 HB1 ALA A 14 30.289 -1.873 15.537 1.00 0.00 H new ATOM 0 HB2 ALA A 14 30.821 -0.297 14.905 1.00 0.00 H new ATOM 0 HB3 ALA A 14 32.018 -1.449 15.543 1.00 0.00 H new ATOM 191 N TYR A 15 31.283 -1.120 19.419 1.00 0.00 N ATOM 192 CA TYR A 15 31.457 -1.981 20.608 1.00 0.00 C ATOM 193 C TYR A 15 30.122 -2.493 21.216 1.00 0.00 C ATOM 194 O TYR A 15 30.007 -2.700 22.424 1.00 0.00 O ATOM 195 CB TYR A 15 32.322 -1.207 21.626 1.00 0.00 C ATOM 196 CG TYR A 15 33.105 -2.081 22.594 1.00 0.00 C ATOM 197 CD1 TYR A 15 34.282 -2.720 22.155 1.00 0.00 C ATOM 198 CD2 TYR A 15 32.677 -2.242 23.928 1.00 0.00 C ATOM 199 CE1 TYR A 15 35.023 -3.525 23.041 1.00 0.00 C ATOM 200 CE2 TYR A 15 33.412 -3.052 24.817 1.00 0.00 C ATOM 201 CZ TYR A 15 34.589 -3.697 24.375 1.00 0.00 C ATOM 202 OH TYR A 15 35.309 -4.482 25.224 1.00 0.00 O ATOM 0 H TYR A 15 31.475 -0.140 19.627 1.00 0.00 H new ATOM 0 HA TYR A 15 31.964 -2.898 20.308 1.00 0.00 H new ATOM 0 HB2 TYR A 15 33.023 -0.576 21.080 1.00 0.00 H new ATOM 0 HB3 TYR A 15 31.676 -0.543 22.200 1.00 0.00 H new ATOM 0 HD1 TYR A 15 34.616 -2.592 21.136 1.00 0.00 H new ATOM 0 HD2 TYR A 15 31.782 -1.743 24.270 1.00 0.00 H new ATOM 0 HE1 TYR A 15 35.925 -4.012 22.701 1.00 0.00 H new ATOM 0 HE2 TYR A 15 33.076 -3.180 25.835 1.00 0.00 H new ATOM 0 HH TYR A 15 34.877 -4.495 26.103 1.00 0.00 H new ATOM 212 N ASP A 16 29.075 -2.638 20.391 1.00 0.00 N ATOM 213 CA ASP A 16 27.678 -2.966 20.745 1.00 0.00 C ATOM 214 C ASP A 16 27.005 -2.016 21.772 1.00 0.00 C ATOM 215 O ASP A 16 25.908 -2.294 22.270 1.00 0.00 O ATOM 216 CB ASP A 16 27.589 -4.460 21.121 1.00 0.00 C ATOM 217 CG ASP A 16 26.153 -5.020 21.078 1.00 0.00 C ATOM 218 OD1 ASP A 16 25.469 -4.865 20.036 1.00 0.00 O1- ATOM 219 OD2 ASP A 16 25.725 -5.675 22.060 1.00 0.00 O ATOM 0 H ASP A 16 29.186 -2.521 19.384 1.00 0.00 H new ATOM 0 HA ASP A 16 27.072 -2.787 19.857 1.00 0.00 H new ATOM 0 HB2 ASP A 16 28.216 -5.036 20.440 1.00 0.00 H new ATOM 0 HB3 ASP A 16 27.995 -4.599 22.123 1.00 0.00 H new ATOM 224 N ILE A 17 27.640 -0.876 22.081 1.00 0.00 N ATOM 225 CA ILE A 17 27.130 0.163 22.992 1.00 0.00 C ATOM 226 C ILE A 17 26.173 1.134 22.283 1.00 0.00 C ATOM 227 O ILE A 17 25.120 1.466 22.832 1.00 0.00 O ATOM 228 CB ILE A 17 28.314 0.873 23.696 1.00 0.00 C ATOM 229 CG1 ILE A 17 27.862 1.836 24.822 1.00 0.00 C ATOM 230 CG2 ILE A 17 29.320 1.533 22.731 1.00 0.00 C ATOM 231 CD1 ILE A 17 27.579 3.297 24.431 1.00 0.00 C ATOM 0 H ILE A 17 28.553 -0.643 21.691 1.00 0.00 H new ATOM 0 HA ILE A 17 26.527 -0.313 23.766 1.00 0.00 H new ATOM 0 HB ILE A 17 28.865 0.065 24.178 1.00 0.00 H new ATOM 0 HG12 ILE A 17 26.958 1.427 25.273 1.00 0.00 H new ATOM 0 HG13 ILE A 17 28.631 1.837 25.594 1.00 0.00 H new ATOM 0 HG21 ILE A 17 30.117 2.007 23.304 1.00 0.00 H new ATOM 0 HG22 ILE A 17 29.747 0.774 22.075 1.00 0.00 H new ATOM 0 HG23 ILE A 17 28.808 2.285 22.130 1.00 0.00 H new ATOM 0 HD11 ILE A 17 27.272 3.857 25.314 1.00 0.00 H new ATOM 0 HD12 ILE A 17 28.482 3.743 24.014 1.00 0.00 H new ATOM 0 HD13 ILE A 17 26.782 3.327 23.688 1.00 0.00 H new ATOM 243 N LEU A 18 26.500 1.544 21.050 1.00 0.00 N ATOM 244 CA LEU A 18 25.648 2.406 20.220 1.00 0.00 C ATOM 245 C LEU A 18 24.321 1.713 19.855 1.00 0.00 C ATOM 246 O LEU A 18 24.267 0.485 19.718 1.00 0.00 O ATOM 247 CB LEU A 18 26.393 2.807 18.927 1.00 0.00 C ATOM 248 CG LEU A 18 27.732 3.554 19.103 1.00 0.00 C ATOM 249 CD1 LEU A 18 28.303 3.911 17.726 1.00 0.00 C ATOM 250 CD2 LEU A 18 27.581 4.846 19.909 1.00 0.00 C ATOM 0 H LEU A 18 27.375 1.283 20.595 1.00 0.00 H new ATOM 0 HA LEU A 18 25.417 3.297 20.803 1.00 0.00 H new ATOM 0 HB2 LEU A 18 26.581 1.903 18.348 1.00 0.00 H new ATOM 0 HB3 LEU A 18 25.729 3.434 18.332 1.00 0.00 H new ATOM 0 HG LEU A 18 28.399 2.887 19.649 1.00 0.00 H new ATOM 0 HD11 LEU A 18 29.249 4.439 17.850 1.00 0.00 H new ATOM 0 HD12 LEU A 18 28.469 2.999 17.153 1.00 0.00 H new ATOM 0 HD13 LEU A 18 27.598 4.550 17.194 1.00 0.00 H new ATOM 0 HD21 LEU A 18 28.552 5.332 20.003 1.00 0.00 H new ATOM 0 HD22 LEU A 18 26.889 5.515 19.398 1.00 0.00 H new ATOM 0 HD23 LEU A 18 27.194 4.613 20.901 1.00 0.00 H new ATOM 262 N ARG A 19 23.281 2.513 19.592 1.00 0.00 N ATOM 263 CA ARG A 19 21.959 2.063 19.116 1.00 0.00 C ATOM 264 C ARG A 19 21.574 2.886 17.884 1.00 0.00 C ATOM 265 O ARG A 19 21.755 4.106 17.878 1.00 0.00 O ATOM 266 CB ARG A 19 20.950 2.198 20.277 1.00 0.00 C ATOM 267 CG ARG A 19 19.677 1.331 20.195 1.00 0.00 C ATOM 268 CD ARG A 19 18.653 1.765 19.133 1.00 0.00 C ATOM 269 NE ARG A 19 17.335 1.127 19.337 1.00 0.00 N ATOM 270 CZ ARG A 19 16.936 -0.060 18.909 1.00 0.00 C ATOM 271 NH1 ARG A 19 17.719 -0.873 18.255 1.00 0.00 N1+ ATOM 272 NH2 ARG A 19 15.718 -0.463 19.135 1.00 0.00 N ATOM 0 H ARG A 19 23.334 3.525 19.707 1.00 0.00 H new ATOM 0 HA ARG A 19 21.969 1.016 18.812 1.00 0.00 H new ATOM 0 HB2 ARG A 19 21.466 1.957 21.206 1.00 0.00 H new ATOM 0 HB3 ARG A 19 20.646 3.243 20.344 1.00 0.00 H new ATOM 0 HG2 ARG A 19 19.971 0.301 19.993 1.00 0.00 H new ATOM 0 HG3 ARG A 19 19.190 1.338 21.170 1.00 0.00 H new ATOM 0 HD2 ARG A 19 18.539 2.849 19.162 1.00 0.00 H new ATOM 0 HD3 ARG A 19 19.029 1.510 18.142 1.00 0.00 H new ATOM 0 HE ARG A 19 16.653 1.665 19.871 1.00 0.00 H new ATOM 0 HH11 ARG A 19 18.682 -0.603 18.055 1.00 0.00 H new ATOM 0 HH12 ARG A 19 17.368 -1.779 17.944 1.00 0.00 H new ATOM 0 HH21 ARG A 19 15.068 0.137 19.643 1.00 0.00 H new ATOM 0 HH22 ARG A 19 15.414 -1.378 18.804 1.00 0.00 H new ATOM 286 N ARG A 20 21.045 2.219 16.854 1.00 0.00 N ATOM 287 CA ARG A 20 20.673 2.815 15.557 1.00 0.00 C ATOM 288 C ARG A 20 19.186 2.636 15.244 1.00 0.00 C ATOM 289 O ARG A 20 18.610 1.589 15.548 1.00 0.00 O ATOM 290 CB ARG A 20 21.594 2.244 14.460 1.00 0.00 C ATOM 291 CG ARG A 20 21.238 0.825 13.977 1.00 0.00 C ATOM 292 CD ARG A 20 22.409 0.171 13.230 1.00 0.00 C ATOM 293 NE ARG A 20 23.473 -0.259 14.164 1.00 0.00 N ATOM 294 CZ ARG A 20 24.684 -0.686 13.853 1.00 0.00 C ATOM 295 NH1 ARG A 20 25.107 -0.745 12.621 1.00 0.00 N1+ ATOM 296 NH2 ARG A 20 25.502 -1.071 14.790 1.00 0.00 N ATOM 0 H ARG A 20 20.856 1.218 16.896 1.00 0.00 H new ATOM 0 HA ARG A 20 20.821 3.894 15.601 1.00 0.00 H new ATOM 0 HB2 ARG A 20 21.573 2.918 13.604 1.00 0.00 H new ATOM 0 HB3 ARG A 20 22.617 2.237 14.835 1.00 0.00 H new ATOM 0 HG2 ARG A 20 20.961 0.208 14.832 1.00 0.00 H new ATOM 0 HG3 ARG A 20 20.368 0.871 13.322 1.00 0.00 H new ATOM 0 HD2 ARG A 20 22.048 -0.689 12.667 1.00 0.00 H new ATOM 0 HD3 ARG A 20 22.820 0.876 12.507 1.00 0.00 H new ATOM 0 HE ARG A 20 23.247 -0.222 15.158 1.00 0.00 H new ATOM 0 HH11 ARG A 20 24.496 -0.456 11.857 1.00 0.00 H new ATOM 0 HH12 ARG A 20 26.049 -1.081 12.421 1.00 0.00 H new ATOM 0 HH21 ARG A 20 25.208 -1.043 15.766 1.00 0.00 H new ATOM 0 HH22 ARG A 20 26.436 -1.400 14.548 1.00 0.00 H new ATOM 310 N CYS A 21 18.575 3.654 14.638 1.00 0.00 N ATOM 311 CA CYS A 21 17.175 3.630 14.217 1.00 0.00 C ATOM 312 C CYS A 21 17.049 2.990 12.821 1.00 0.00 C ATOM 313 O CYS A 21 17.669 3.450 11.856 1.00 0.00 O ATOM 314 CB CYS A 21 16.651 5.069 14.250 1.00 0.00 C ATOM 315 SG CYS A 21 14.857 5.085 13.962 1.00 0.00 S ATOM 0 H CYS A 21 19.047 4.532 14.423 1.00 0.00 H new ATOM 0 HA CYS A 21 16.573 3.020 14.890 1.00 0.00 H new ATOM 0 HB2 CYS A 21 16.877 5.525 15.214 1.00 0.00 H new ATOM 0 HB3 CYS A 21 17.155 5.666 13.490 1.00 0.00 H new ATOM 320 N SER A 22 16.227 1.940 12.707 1.00 0.00 N ATOM 321 CA SER A 22 15.965 1.224 11.444 1.00 0.00 C ATOM 322 C SER A 22 15.266 2.091 10.376 1.00 0.00 C ATOM 323 O SER A 22 15.274 1.751 9.189 1.00 0.00 O ATOM 324 CB SER A 22 15.142 -0.039 11.738 1.00 0.00 C ATOM 325 OG SER A 22 15.199 -0.958 10.656 1.00 0.00 O ATOM 0 H SER A 22 15.715 1.554 13.500 1.00 0.00 H new ATOM 0 HA SER A 22 16.933 0.956 11.020 1.00 0.00 H new ATOM 0 HB2 SER A 22 15.517 -0.517 12.643 1.00 0.00 H new ATOM 0 HB3 SER A 22 14.105 0.237 11.929 1.00 0.00 H new ATOM 0 HG SER A 22 15.306 -0.467 9.815 1.00 0.00 H new ATOM 331 N GLN A 23 14.696 3.238 10.776 1.00 0.00 N ATOM 332 CA GLN A 23 13.968 4.164 9.894 1.00 0.00 C ATOM 333 C GLN A 23 14.668 5.528 9.738 1.00 0.00 C ATOM 334 O GLN A 23 14.575 6.128 8.662 1.00 0.00 O ATOM 335 CB GLN A 23 12.534 4.353 10.422 1.00 0.00 C ATOM 336 CG GLN A 23 11.699 3.057 10.362 1.00 0.00 C ATOM 337 CD GLN A 23 10.264 3.225 10.873 1.00 0.00 C ATOM 338 OE1 GLN A 23 9.844 4.258 11.386 1.00 0.00 O ATOM 339 NE2 GLN A 23 9.439 2.198 10.755 1.00 0.00 N ATOM 0 H GLN A 23 14.729 3.555 11.745 1.00 0.00 H new ATOM 0 HA GLN A 23 13.947 3.717 8.900 1.00 0.00 H new ATOM 0 HB2 GLN A 23 12.575 4.706 11.452 1.00 0.00 H new ATOM 0 HB3 GLN A 23 12.036 5.128 9.839 1.00 0.00 H new ATOM 0 HG2 GLN A 23 11.669 2.702 9.332 1.00 0.00 H new ATOM 0 HG3 GLN A 23 12.197 2.287 10.951 1.00 0.00 H new ATOM 0 HE21 GLN A 23 9.764 1.329 10.332 1.00 0.00 H new ATOM 0 HE22 GLN A 23 8.478 2.275 11.087 1.00 0.00 H new ATOM 348 N CYS A 24 15.398 5.999 10.761 1.00 0.00 N ATOM 349 CA CYS A 24 16.045 7.319 10.758 1.00 0.00 C ATOM 350 C CYS A 24 17.551 7.266 10.393 1.00 0.00 C ATOM 351 O CYS A 24 18.119 8.283 9.983 1.00 0.00 O ATOM 352 CB CYS A 24 15.834 7.994 12.127 1.00 0.00 C ATOM 353 SG CYS A 24 14.099 7.936 12.698 1.00 0.00 S ATOM 0 H CYS A 24 15.557 5.471 11.619 1.00 0.00 H new ATOM 0 HA CYS A 24 15.573 7.911 9.974 1.00 0.00 H new ATOM 0 HB2 CYS A 24 16.470 7.507 12.867 1.00 0.00 H new ATOM 0 HB3 CYS A 24 16.155 9.034 12.066 1.00 0.00 H new ATOM 358 N GLY A 25 18.212 6.113 10.568 1.00 0.00 N ATOM 359 CA GLY A 25 19.608 5.861 10.166 1.00 0.00 C ATOM 360 C GLY A 25 20.704 6.460 11.069 1.00 0.00 C ATOM 361 O GLY A 25 21.869 6.070 10.942 1.00 0.00 O ATOM 0 H GLY A 25 17.777 5.302 11.008 1.00 0.00 H new ATOM 0 HA2 GLY A 25 19.759 4.783 10.116 1.00 0.00 H new ATOM 0 HA3 GLY A 25 19.748 6.249 9.157 1.00 0.00 H new ATOM 365 N ILE A 26 20.354 7.368 11.988 1.00 0.00 N ATOM 366 CA ILE A 26 21.260 7.933 13.010 1.00 0.00 C ATOM 367 C ILE A 26 21.697 6.871 14.045 1.00 0.00 C ATOM 368 O ILE A 26 20.945 5.923 14.316 1.00 0.00 O ATOM 369 CB ILE A 26 20.590 9.185 13.648 1.00 0.00 C ATOM 370 CG1 ILE A 26 21.458 9.974 14.661 1.00 0.00 C ATOM 371 CG2 ILE A 26 19.257 8.829 14.342 1.00 0.00 C ATOM 372 CD1 ILE A 26 22.767 10.524 14.064 1.00 0.00 C ATOM 0 H ILE A 26 19.408 7.744 12.048 1.00 0.00 H new ATOM 0 HA ILE A 26 22.187 8.256 12.537 1.00 0.00 H new ATOM 0 HB ILE A 26 20.432 9.837 12.789 1.00 0.00 H new ATOM 0 HG12 ILE A 26 20.873 10.804 15.057 1.00 0.00 H new ATOM 0 HG13 ILE A 26 21.698 9.324 15.502 1.00 0.00 H new ATOM 0 HG21 ILE A 26 18.820 9.729 14.775 1.00 0.00 H new ATOM 0 HG22 ILE A 26 18.568 8.407 13.611 1.00 0.00 H new ATOM 0 HG23 ILE A 26 19.441 8.100 15.131 1.00 0.00 H new ATOM 0 HD11 ILE A 26 23.319 11.064 14.833 1.00 0.00 H new ATOM 0 HD12 ILE A 26 23.374 9.697 13.694 1.00 0.00 H new ATOM 0 HD13 ILE A 26 22.536 11.201 13.241 1.00 0.00 H new ATOM 384 N LEU A 27 22.865 7.098 14.670 1.00 0.00 N ATOM 385 CA LEU A 27 23.415 6.291 15.770 1.00 0.00 C ATOM 386 C LEU A 27 23.591 7.178 17.010 1.00 0.00 C ATOM 387 O LEU A 27 24.186 8.254 16.912 1.00 0.00 O ATOM 388 CB LEU A 27 24.786 5.688 15.389 1.00 0.00 C ATOM 389 CG LEU A 27 24.773 4.544 14.358 1.00 0.00 C ATOM 390 CD1 LEU A 27 24.696 5.026 12.909 1.00 0.00 C ATOM 391 CD2 LEU A 27 26.048 3.706 14.492 1.00 0.00 C ATOM 0 H LEU A 27 23.473 7.876 14.413 1.00 0.00 H new ATOM 0 HA LEU A 27 22.721 5.477 15.976 1.00 0.00 H new ATOM 0 HB2 LEU A 27 25.415 6.489 15.001 1.00 0.00 H new ATOM 0 HB3 LEU A 27 25.262 5.322 16.299 1.00 0.00 H new ATOM 0 HG LEU A 27 23.876 3.964 14.574 1.00 0.00 H new ATOM 0 HD11 LEU A 27 24.691 4.166 12.239 1.00 0.00 H new ATOM 0 HD12 LEU A 27 23.782 5.603 12.766 1.00 0.00 H new ATOM 0 HD13 LEU A 27 25.560 5.653 12.688 1.00 0.00 H new ATOM 0 HD21 LEU A 27 26.032 2.899 13.760 1.00 0.00 H new ATOM 0 HD22 LEU A 27 26.919 4.338 14.316 1.00 0.00 H new ATOM 0 HD23 LEU A 27 26.102 3.284 15.496 1.00 0.00 H new ATOM 403 N LEU A 28 23.116 6.713 18.169 1.00 0.00 N ATOM 404 CA LEU A 28 23.186 7.420 19.456 1.00 0.00 C ATOM 405 C LEU A 28 23.872 6.535 20.524 1.00 0.00 C ATOM 406 O LEU A 28 23.741 5.308 20.461 1.00 0.00 O ATOM 407 CB LEU A 28 21.768 7.807 19.942 1.00 0.00 C ATOM 408 CG LEU A 28 20.915 8.804 19.130 1.00 0.00 C ATOM 409 CD1 LEU A 28 21.691 10.038 18.672 1.00 0.00 C ATOM 410 CD2 LEU A 28 20.210 8.168 17.931 1.00 0.00 C ATOM 0 H LEU A 28 22.657 5.805 18.242 1.00 0.00 H new ATOM 0 HA LEU A 28 23.773 8.327 19.311 1.00 0.00 H new ATOM 0 HB2 LEU A 28 21.193 6.885 20.028 1.00 0.00 H new ATOM 0 HB3 LEU A 28 21.871 8.214 20.948 1.00 0.00 H new ATOM 0 HG LEU A 28 20.153 9.127 19.839 1.00 0.00 H new ATOM 0 HD11 LEU A 28 21.029 10.695 18.107 1.00 0.00 H new ATOM 0 HD12 LEU A 28 22.075 10.570 19.542 1.00 0.00 H new ATOM 0 HD13 LEU A 28 22.523 9.730 18.039 1.00 0.00 H new ATOM 0 HD21 LEU A 28 19.629 8.926 17.406 1.00 0.00 H new ATOM 0 HD22 LEU A 28 20.953 7.747 17.253 1.00 0.00 H new ATOM 0 HD23 LEU A 28 19.545 7.377 18.277 1.00 0.00 H new ATOM 422 N PRO A 29 24.572 7.122 21.521 1.00 0.00 N ATOM 423 CA PRO A 29 25.266 6.365 22.567 1.00 0.00 C ATOM 424 C PRO A 29 24.312 5.699 23.573 1.00 0.00 C ATOM 425 O PRO A 29 24.198 4.474 23.579 1.00 0.00 O ATOM 426 CB PRO A 29 26.239 7.358 23.221 1.00 0.00 C ATOM 427 CG PRO A 29 25.614 8.729 22.954 1.00 0.00 C ATOM 428 CD PRO A 29 24.915 8.536 21.609 1.00 0.00 C ATOM 0 HA PRO A 29 25.801 5.516 22.141 1.00 0.00 H new ATOM 0 HB2 PRO A 29 26.342 7.169 24.289 1.00 0.00 H new ATOM 0 HB3 PRO A 29 27.236 7.283 22.786 1.00 0.00 H new ATOM 0 HG2 PRO A 29 24.910 9.010 23.737 1.00 0.00 H new ATOM 0 HG3 PRO A 29 26.369 9.514 22.907 1.00 0.00 H new ATOM 0 HD2 PRO A 29 24.022 9.157 21.543 1.00 0.00 H new ATOM 0 HD3 PRO A 29 25.568 8.829 20.787 1.00 0.00 H new ATOM 436 N LEU A 30 23.622 6.484 24.416 1.00 0.00 N ATOM 437 CA LEU A 30 22.704 5.993 25.462 1.00 0.00 C ATOM 438 C LEU A 30 21.783 7.103 26.024 1.00 0.00 C ATOM 439 O LEU A 30 20.565 6.935 25.947 1.00 0.00 O ATOM 440 CB LEU A 30 23.507 5.294 26.591 1.00 0.00 C ATOM 441 CG LEU A 30 23.249 3.775 26.682 1.00 0.00 C ATOM 442 CD1 LEU A 30 24.316 3.115 27.560 1.00 0.00 C ATOM 443 CD2 LEU A 30 21.877 3.474 27.291 1.00 0.00 C ATOM 0 H LEU A 30 23.687 7.502 24.390 1.00 0.00 H new ATOM 0 HA LEU A 30 22.041 5.263 24.997 1.00 0.00 H new ATOM 0 HB2 LEU A 30 24.571 5.464 26.428 1.00 0.00 H new ATOM 0 HB3 LEU A 30 23.253 5.755 27.545 1.00 0.00 H new ATOM 0 HG LEU A 30 23.285 3.378 25.667 1.00 0.00 H new ATOM 0 HD11 LEU A 30 24.127 2.043 27.619 1.00 0.00 H new ATOM 0 HD12 LEU A 30 25.301 3.286 27.126 1.00 0.00 H new ATOM 0 HD13 LEU A 30 24.281 3.545 28.561 1.00 0.00 H new ATOM 0 HD21 LEU A 30 21.729 2.395 27.340 1.00 0.00 H new ATOM 0 HD22 LEU A 30 21.825 3.893 28.296 1.00 0.00 H new ATOM 0 HD23 LEU A 30 21.098 3.919 26.672 1.00 0.00 H new ATOM 455 N PRO A 31 22.291 8.251 26.531 1.00 0.00 N ATOM 456 CA PRO A 31 21.425 9.329 27.027 1.00 0.00 C ATOM 457 C PRO A 31 20.763 10.133 25.895 1.00 0.00 C ATOM 458 O PRO A 31 19.580 10.462 25.983 1.00 0.00 O ATOM 459 CB PRO A 31 22.326 10.208 27.902 1.00 0.00 C ATOM 460 CG PRO A 31 23.725 9.991 27.328 1.00 0.00 C ATOM 461 CD PRO A 31 23.687 8.539 26.854 1.00 0.00 C ATOM 0 HA PRO A 31 20.586 8.922 27.592 1.00 0.00 H new ATOM 0 HB2 PRO A 31 22.032 11.256 27.851 1.00 0.00 H new ATOM 0 HB3 PRO A 31 22.275 9.913 28.950 1.00 0.00 H new ATOM 0 HG2 PRO A 31 23.934 10.677 26.507 1.00 0.00 H new ATOM 0 HG3 PRO A 31 24.498 10.149 28.080 1.00 0.00 H new ATOM 0 HD2 PRO A 31 24.325 8.398 25.982 1.00 0.00 H new ATOM 0 HD3 PRO A 31 24.054 7.867 27.630 1.00 0.00 H new ATOM 469 N ILE A 32 21.488 10.404 24.800 1.00 0.00 N ATOM 470 CA ILE A 32 20.971 11.140 23.626 1.00 0.00 C ATOM 471 C ILE A 32 19.874 10.332 22.904 1.00 0.00 C ATOM 472 O ILE A 32 18.935 10.906 22.348 1.00 0.00 O ATOM 473 CB ILE A 32 22.122 11.533 22.660 1.00 0.00 C ATOM 474 CG1 ILE A 32 23.294 12.219 23.410 1.00 0.00 C ATOM 475 CG2 ILE A 32 21.600 12.462 21.544 1.00 0.00 C ATOM 476 CD1 ILE A 32 24.505 12.576 22.534 1.00 0.00 C ATOM 0 H ILE A 32 22.462 10.117 24.699 1.00 0.00 H new ATOM 0 HA ILE A 32 20.515 12.064 23.982 1.00 0.00 H new ATOM 0 HB ILE A 32 22.499 10.612 22.215 1.00 0.00 H new ATOM 0 HG12 ILE A 32 22.922 13.130 23.878 1.00 0.00 H new ATOM 0 HG13 ILE A 32 23.627 11.561 24.213 1.00 0.00 H new ATOM 0 HG21 ILE A 32 22.421 12.727 20.877 1.00 0.00 H new ATOM 0 HG22 ILE A 32 20.823 11.949 20.977 1.00 0.00 H new ATOM 0 HG23 ILE A 32 21.187 13.368 21.988 1.00 0.00 H new ATOM 0 HD11 ILE A 32 25.271 13.051 23.148 1.00 0.00 H new ATOM 0 HD12 ILE A 32 24.910 11.669 22.086 1.00 0.00 H new ATOM 0 HD13 ILE A 32 24.195 13.262 21.746 1.00 0.00 H new ATOM 488 N LEU A 33 19.939 8.994 22.973 1.00 0.00 N ATOM 489 CA LEU A 33 18.910 8.090 22.446 1.00 0.00 C ATOM 490 C LEU A 33 17.516 8.382 23.021 1.00 0.00 C ATOM 491 O LEU A 33 16.533 8.212 22.309 1.00 0.00 O ATOM 492 CB LEU A 33 19.329 6.630 22.713 1.00 0.00 C ATOM 493 CG LEU A 33 18.400 5.563 22.097 1.00 0.00 C ATOM 494 CD1 LEU A 33 18.454 5.545 20.569 1.00 0.00 C ATOM 495 CD2 LEU A 33 18.786 4.182 22.617 1.00 0.00 C ATOM 0 H LEU A 33 20.722 8.503 23.404 1.00 0.00 H new ATOM 0 HA LEU A 33 18.833 8.257 21.372 1.00 0.00 H new ATOM 0 HB2 LEU A 33 20.337 6.480 22.326 1.00 0.00 H new ATOM 0 HB3 LEU A 33 19.375 6.472 23.791 1.00 0.00 H new ATOM 0 HG LEU A 33 17.383 5.821 22.393 1.00 0.00 H new ATOM 0 HD11 LEU A 33 17.781 4.776 20.190 1.00 0.00 H new ATOM 0 HD12 LEU A 33 18.148 6.517 20.183 1.00 0.00 H new ATOM 0 HD13 LEU A 33 19.472 5.329 20.243 1.00 0.00 H new ATOM 0 HD21 LEU A 33 18.128 3.431 22.180 1.00 0.00 H new ATOM 0 HD22 LEU A 33 19.818 3.965 22.341 1.00 0.00 H new ATOM 0 HD23 LEU A 33 18.689 4.162 23.702 1.00 0.00 H new ATOM 507 N ASN A 34 17.410 8.862 24.266 1.00 0.00 N ATOM 508 CA ASN A 34 16.134 9.198 24.908 1.00 0.00 C ATOM 509 C ASN A 34 15.316 10.223 24.088 1.00 0.00 C ATOM 510 O ASN A 34 14.114 10.037 23.886 1.00 0.00 O ATOM 511 CB ASN A 34 16.440 9.689 26.335 1.00 0.00 C ATOM 512 CG ASN A 34 15.197 9.785 27.208 1.00 0.00 C ATOM 513 OD1 ASN A 34 14.372 10.681 27.065 1.00 0.00 O ATOM 514 ND2 ASN A 34 15.034 8.879 28.152 1.00 0.00 N ATOM 0 H ASN A 34 18.219 9.030 24.864 1.00 0.00 H new ATOM 0 HA ASN A 34 15.500 8.313 24.956 1.00 0.00 H new ATOM 0 HB2 ASN A 34 17.154 9.011 26.802 1.00 0.00 H new ATOM 0 HB3 ASN A 34 16.917 10.668 26.283 1.00 0.00 H new ATOM 0 HD21 ASN A 34 14.220 8.922 28.765 1.00 0.00 H new ATOM 0 HD22 ASN A 34 15.722 8.135 28.269 1.00 0.00 H new ATOM 521 N GLN A 35 15.983 11.249 23.541 1.00 0.00 N ATOM 522 CA GLN A 35 15.372 12.227 22.632 1.00 0.00 C ATOM 523 C GLN A 35 14.909 11.581 21.315 1.00 0.00 C ATOM 524 O GLN A 35 13.824 11.903 20.823 1.00 0.00 O ATOM 525 CB GLN A 35 16.360 13.378 22.371 1.00 0.00 C ATOM 526 CG GLN A 35 15.729 14.512 21.545 1.00 0.00 C ATOM 527 CD GLN A 35 16.678 15.696 21.392 1.00 0.00 C ATOM 528 OE1 GLN A 35 16.653 16.657 22.154 1.00 0.00 O ATOM 529 NE2 GLN A 35 17.552 15.687 20.400 1.00 0.00 N ATOM 0 H GLN A 35 16.972 11.424 23.719 1.00 0.00 H new ATOM 0 HA GLN A 35 14.478 12.626 23.112 1.00 0.00 H new ATOM 0 HB2 GLN A 35 16.710 13.776 23.323 1.00 0.00 H new ATOM 0 HB3 GLN A 35 17.234 12.992 21.846 1.00 0.00 H new ATOM 0 HG2 GLN A 35 15.456 14.135 20.559 1.00 0.00 H new ATOM 0 HG3 GLN A 35 14.809 14.843 22.026 1.00 0.00 H new ATOM 0 HE21 GLN A 35 17.586 14.896 19.757 1.00 0.00 H new ATOM 0 HE22 GLN A 35 18.192 16.471 20.277 1.00 0.00 H new ATOM 538 N HIS A 36 15.686 10.645 20.754 1.00 0.00 N ATOM 539 CA HIS A 36 15.245 9.887 19.580 1.00 0.00 C ATOM 540 C HIS A 36 14.027 9.018 19.905 1.00 0.00 C ATOM 541 O HIS A 36 13.065 9.036 19.145 1.00 0.00 O ATOM 542 CB HIS A 36 16.370 9.031 18.974 1.00 0.00 C ATOM 543 CG HIS A 36 16.061 8.677 17.536 1.00 0.00 C ATOM 544 ND1 HIS A 36 16.333 9.481 16.456 1.00 0.00 N ATOM 545 CD2 HIS A 36 15.336 7.610 17.060 1.00 0.00 C ATOM 546 CE1 HIS A 36 15.785 8.933 15.368 1.00 0.00 C ATOM 547 NE2 HIS A 36 15.145 7.776 15.670 1.00 0.00 N ATOM 0 H HIS A 36 16.616 10.397 21.092 1.00 0.00 H new ATOM 0 HA HIS A 36 14.958 10.623 18.829 1.00 0.00 H new ATOM 0 HB2 HIS A 36 17.314 9.574 19.025 1.00 0.00 H new ATOM 0 HB3 HIS A 36 16.495 8.120 19.559 1.00 0.00 H new ATOM 0 HD1 HIS A 36 16.865 10.351 16.481 1.00 0.00 H new ATOM 0 HD2 HIS A 36 14.973 6.782 17.651 1.00 0.00 H new ATOM 0 HE1 HIS A 36 15.844 9.356 14.376 1.00 0.00 H new ATOM 555 N GLN A 37 14.024 8.298 21.033 1.00 0.00 N ATOM 556 CA GLN A 37 12.922 7.406 21.409 1.00 0.00 C ATOM 557 C GLN A 37 11.584 8.150 21.486 1.00 0.00 C ATOM 558 O GLN A 37 10.604 7.670 20.919 1.00 0.00 O ATOM 559 CB GLN A 37 13.206 6.668 22.730 1.00 0.00 C ATOM 560 CG GLN A 37 14.461 5.777 22.683 1.00 0.00 C ATOM 561 CD GLN A 37 14.227 4.386 23.274 1.00 0.00 C ATOM 562 OE1 GLN A 37 13.981 4.213 24.461 1.00 0.00 O ATOM 563 NE2 GLN A 37 14.301 3.340 22.474 1.00 0.00 N ATOM 0 H GLN A 37 14.786 8.318 21.711 1.00 0.00 H new ATOM 0 HA GLN A 37 12.846 6.660 20.618 1.00 0.00 H new ATOM 0 HB2 GLN A 37 13.321 7.401 23.528 1.00 0.00 H new ATOM 0 HB3 GLN A 37 12.343 6.052 22.985 1.00 0.00 H new ATOM 0 HG2 GLN A 37 14.790 5.676 21.649 1.00 0.00 H new ATOM 0 HG3 GLN A 37 15.268 6.266 23.228 1.00 0.00 H new ATOM 0 HE21 GLN A 37 14.505 3.469 21.483 1.00 0.00 H new ATOM 0 HE22 GLN A 37 14.154 2.402 22.846 1.00 0.00 H new ATOM 572 N GLU A 38 11.530 9.335 22.111 1.00 0.00 N ATOM 573 CA GLU A 38 10.294 10.129 22.146 1.00 0.00 C ATOM 574 C GLU A 38 9.903 10.714 20.774 1.00 0.00 C ATOM 575 O GLU A 38 8.725 10.662 20.422 1.00 0.00 O ATOM 576 CB GLU A 38 10.323 11.200 23.253 1.00 0.00 C ATOM 577 CG GLU A 38 11.336 12.336 23.061 1.00 0.00 C ATOM 578 CD GLU A 38 11.199 13.388 24.180 1.00 0.00 C ATOM 579 OE1 GLU A 38 10.343 14.299 24.058 1.00 0.00 O1- ATOM 580 OE2 GLU A 38 11.948 13.323 25.187 1.00 0.00 O ATOM 0 H GLU A 38 12.320 9.762 22.595 1.00 0.00 H new ATOM 0 HA GLU A 38 9.499 9.429 22.402 1.00 0.00 H new ATOM 0 HB2 GLU A 38 9.328 11.637 23.335 1.00 0.00 H new ATOM 0 HB3 GLU A 38 10.534 10.708 24.202 1.00 0.00 H new ATOM 0 HG2 GLU A 38 12.348 11.930 23.059 1.00 0.00 H new ATOM 0 HG3 GLU A 38 11.180 12.808 22.091 1.00 0.00 H new ATOM 587 N LYS A 39 10.851 11.215 19.963 1.00 0.00 N ATOM 588 CA LYS A 39 10.551 11.783 18.631 1.00 0.00 C ATOM 589 C LYS A 39 10.084 10.719 17.629 1.00 0.00 C ATOM 590 O LYS A 39 9.061 10.907 16.968 1.00 0.00 O ATOM 591 CB LYS A 39 11.779 12.561 18.104 1.00 0.00 C ATOM 592 CG LYS A 39 11.695 12.984 16.622 1.00 0.00 C ATOM 593 CD LYS A 39 10.510 13.907 16.272 1.00 0.00 C ATOM 594 CE LYS A 39 10.086 13.776 14.798 1.00 0.00 C ATOM 595 NZ LYS A 39 11.133 14.234 13.844 1.00 0.00 N1+ ATOM 0 H LYS A 39 11.841 11.239 20.207 1.00 0.00 H new ATOM 0 HA LYS A 39 9.716 12.475 18.743 1.00 0.00 H new ATOM 0 HB2 LYS A 39 11.914 13.454 18.714 1.00 0.00 H new ATOM 0 HB3 LYS A 39 12.667 11.944 18.241 1.00 0.00 H new ATOM 0 HG2 LYS A 39 12.622 13.490 16.351 1.00 0.00 H new ATOM 0 HG3 LYS A 39 11.630 12.086 16.007 1.00 0.00 H new ATOM 0 HD2 LYS A 39 9.663 13.667 16.915 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.784 14.942 16.479 1.00 0.00 H new ATOM 0 HE2 LYS A 39 9.843 12.735 14.588 1.00 0.00 H new ATOM 0 HE3 LYS A 39 9.177 14.355 14.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 10.788 14.121 12.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 11.349 15.236 14.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 11.994 13.666 13.975 1.00 0.00 H new ATOM 609 N CYS A 40 10.821 9.613 17.523 1.00 0.00 N ATOM 610 CA CYS A 40 10.548 8.501 16.614 1.00 0.00 C ATOM 611 C CYS A 40 9.181 7.862 16.957 1.00 0.00 C ATOM 612 O CYS A 40 8.347 7.663 16.069 1.00 0.00 O ATOM 613 CB CYS A 40 11.750 7.533 16.702 1.00 0.00 C ATOM 614 SG CYS A 40 12.166 6.742 15.121 1.00 0.00 S ATOM 0 H CYS A 40 11.656 9.462 18.089 1.00 0.00 H new ATOM 0 HA CYS A 40 10.455 8.822 15.577 1.00 0.00 H new ATOM 0 HB2 CYS A 40 12.620 8.080 17.065 1.00 0.00 H new ATOM 0 HB3 CYS A 40 11.530 6.760 17.438 1.00 0.00 H new ATOM 619 N ARG A 41 8.894 7.662 18.257 1.00 0.00 N ATOM 620 CA ARG A 41 7.569 7.271 18.779 1.00 0.00 C ATOM 621 C ARG A 41 6.477 8.279 18.424 1.00 0.00 C ATOM 622 O ARG A 41 5.435 7.871 17.914 1.00 0.00 O ATOM 623 CB ARG A 41 7.655 7.069 20.303 1.00 0.00 C ATOM 624 CG ARG A 41 6.306 6.774 20.980 1.00 0.00 C ATOM 625 CD ARG A 41 6.502 6.540 22.483 1.00 0.00 C ATOM 626 NE ARG A 41 5.214 6.572 23.207 1.00 0.00 N ATOM 627 CZ ARG A 41 5.037 6.406 24.506 1.00 0.00 C ATOM 628 NH1 ARG A 41 6.020 6.105 25.309 1.00 0.00 N1+ ATOM 629 NH2 ARG A 41 3.851 6.546 25.032 1.00 0.00 N ATOM 0 H ARG A 41 9.593 7.770 18.992 1.00 0.00 H new ATOM 0 HA ARG A 41 7.287 6.333 18.301 1.00 0.00 H new ATOM 0 HB2 ARG A 41 8.340 6.247 20.511 1.00 0.00 H new ATOM 0 HB3 ARG A 41 8.086 7.964 20.752 1.00 0.00 H new ATOM 0 HG2 ARG A 41 5.622 7.608 20.821 1.00 0.00 H new ATOM 0 HG3 ARG A 41 5.848 5.896 20.525 1.00 0.00 H new ATOM 0 HD2 ARG A 41 6.987 5.577 22.642 1.00 0.00 H new ATOM 0 HD3 ARG A 41 7.167 7.303 22.888 1.00 0.00 H new ATOM 0 HE ARG A 41 4.377 6.739 22.648 1.00 0.00 H new ATOM 0 HH11 ARG A 41 6.964 5.990 24.939 1.00 0.00 H new ATOM 0 HH12 ARG A 41 5.845 5.985 26.307 1.00 0.00 H new ATOM 0 HH21 ARG A 41 3.055 6.785 24.440 1.00 0.00 H new ATOM 0 HH22 ARG A 41 3.720 6.417 26.035 1.00 0.00 H new ATOM 643 N TRP A 42 6.682 9.575 18.684 1.00 0.00 N ATOM 644 CA TRP A 42 5.669 10.608 18.436 1.00 0.00 C ATOM 645 C TRP A 42 5.260 10.663 16.960 1.00 0.00 C ATOM 646 O TRP A 42 4.069 10.658 16.653 1.00 0.00 O ATOM 647 CB TRP A 42 6.163 11.979 18.921 1.00 0.00 C ATOM 648 CG TRP A 42 5.127 13.063 18.892 1.00 0.00 C ATOM 649 CD1 TRP A 42 4.365 13.433 19.947 1.00 0.00 C ATOM 650 CD2 TRP A 42 4.694 13.905 17.774 1.00 0.00 C ATOM 651 NE1 TRP A 42 3.490 14.432 19.565 1.00 0.00 N ATOM 652 CE2 TRP A 42 3.637 14.751 18.232 1.00 0.00 C ATOM 653 CE3 TRP A 42 5.076 14.039 16.419 1.00 0.00 C ATOM 654 CZ2 TRP A 42 2.984 15.664 17.391 1.00 0.00 C ATOM 655 CZ3 TRP A 42 4.423 14.949 15.563 1.00 0.00 C ATOM 656 CH2 TRP A 42 3.378 15.758 16.046 1.00 0.00 C ATOM 0 H TRP A 42 7.553 9.937 19.072 1.00 0.00 H new ATOM 0 HA TRP A 42 4.780 10.340 19.007 1.00 0.00 H new ATOM 0 HB2 TRP A 42 6.534 11.877 19.941 1.00 0.00 H new ATOM 0 HB3 TRP A 42 7.008 12.285 18.304 1.00 0.00 H new ATOM 0 HD1 TRP A 42 4.431 13.011 20.939 1.00 0.00 H new ATOM 0 HE1 TRP A 42 2.819 14.878 20.191 1.00 0.00 H new ATOM 0 HE3 TRP A 42 5.883 13.433 16.033 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 2.188 16.287 17.773 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 4.727 15.026 14.529 1.00 0.00 H new ATOM 0 HH2 TRP A 42 2.880 16.450 15.384 1.00 0.00 H new ATOM 667 N LEU A 43 6.232 10.643 16.041 1.00 0.00 N ATOM 668 CA LEU A 43 5.974 10.652 14.598 1.00 0.00 C ATOM 669 C LEU A 43 5.270 9.357 14.149 1.00 0.00 C ATOM 670 O LEU A 43 4.243 9.419 13.471 1.00 0.00 O ATOM 671 CB LEU A 43 7.312 10.901 13.866 1.00 0.00 C ATOM 672 CG LEU A 43 7.244 11.541 12.464 1.00 0.00 C ATOM 673 CD1 LEU A 43 6.483 10.711 11.432 1.00 0.00 C ATOM 674 CD2 LEU A 43 6.638 12.947 12.497 1.00 0.00 C ATOM 0 H LEU A 43 7.224 10.620 16.279 1.00 0.00 H new ATOM 0 HA LEU A 43 5.287 11.458 14.340 1.00 0.00 H new ATOM 0 HB2 LEU A 43 7.929 11.540 14.499 1.00 0.00 H new ATOM 0 HB3 LEU A 43 7.830 9.946 13.776 1.00 0.00 H new ATOM 0 HG LEU A 43 8.287 11.590 12.151 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.483 11.232 10.475 1.00 0.00 H new ATOM 0 HD12 LEU A 43 6.967 9.741 11.317 1.00 0.00 H new ATOM 0 HD13 LEU A 43 5.456 10.567 11.767 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.612 13.356 11.487 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.624 12.897 12.895 1.00 0.00 H new ATOM 0 HD23 LEU A 43 7.246 13.590 13.133 1.00 0.00 H new ATOM 686 N ALA A 44 5.749 8.189 14.593 1.00 0.00 N ATOM 687 CA ALA A 44 5.122 6.895 14.299 1.00 0.00 C ATOM 688 C ALA A 44 3.690 6.761 14.863 1.00 0.00 C ATOM 689 O ALA A 44 2.845 6.115 14.242 1.00 0.00 O ATOM 690 CB ALA A 44 6.033 5.778 14.823 1.00 0.00 C ATOM 0 H ALA A 44 6.587 8.115 15.170 1.00 0.00 H new ATOM 0 HA ALA A 44 5.010 6.816 13.218 1.00 0.00 H new ATOM 0 HB1 ALA A 44 5.580 4.810 14.612 1.00 0.00 H new ATOM 0 HB2 ALA A 44 7.004 5.839 14.331 1.00 0.00 H new ATOM 0 HB3 ALA A 44 6.164 5.890 15.899 1.00 0.00 H new ATOM 696 N SER A 45 3.391 7.387 16.007 1.00 0.00 N ATOM 697 CA SER A 45 2.041 7.458 16.588 1.00 0.00 C ATOM 698 C SER A 45 1.142 8.464 15.848 1.00 0.00 C ATOM 699 O SER A 45 -0.042 8.200 15.626 1.00 0.00 O ATOM 700 CB SER A 45 2.158 7.833 18.073 1.00 0.00 C ATOM 701 OG SER A 45 0.923 7.664 18.755 1.00 0.00 O ATOM 0 H SER A 45 4.094 7.869 16.568 1.00 0.00 H new ATOM 0 HA SER A 45 1.570 6.481 16.483 1.00 0.00 H new ATOM 0 HB2 SER A 45 2.922 7.216 18.545 1.00 0.00 H new ATOM 0 HB3 SER A 45 2.485 8.869 18.162 1.00 0.00 H new ATOM 0 HG SER A 45 1.033 7.910 19.697 1.00 0.00 H new ATOM 707 N SER A 46 1.702 9.605 15.427 1.00 0.00 N ATOM 708 CA SER A 46 1.019 10.653 14.652 1.00 0.00 C ATOM 709 C SER A 46 0.664 10.215 13.218 1.00 0.00 C ATOM 710 O SER A 46 -0.361 10.641 12.678 1.00 0.00 O ATOM 711 CB SER A 46 1.915 11.901 14.622 1.00 0.00 C ATOM 712 OG SER A 46 1.294 12.972 13.931 1.00 0.00 O ATOM 0 H SER A 46 2.677 9.833 15.622 1.00 0.00 H new ATOM 0 HA SER A 46 0.070 10.867 15.144 1.00 0.00 H new ATOM 0 HB2 SER A 46 2.145 12.210 15.642 1.00 0.00 H new ATOM 0 HB3 SER A 46 2.863 11.658 14.142 1.00 0.00 H new ATOM 0 HG SER A 46 1.889 13.751 13.931 1.00 0.00 H new ATOM 718 N LYS A 47 1.484 9.339 12.608 1.00 0.00 N ATOM 719 CA LYS A 47 1.384 8.870 11.205 1.00 0.00 C ATOM 720 C LYS A 47 1.355 10.016 10.166 1.00 0.00 C ATOM 721 O LYS A 47 0.806 9.858 9.072 1.00 0.00 O ATOM 722 CB LYS A 47 0.200 7.878 11.056 1.00 0.00 C ATOM 723 CG LYS A 47 0.307 6.592 11.898 1.00 0.00 C ATOM 724 CD LYS A 47 1.351 5.561 11.422 1.00 0.00 C ATOM 725 CE LYS A 47 0.856 4.590 10.338 1.00 0.00 C ATOM 726 NZ LYS A 47 0.739 5.208 8.990 1.00 0.00 N1+ ATOM 0 H LYS A 47 2.272 8.917 13.099 1.00 0.00 H new ATOM 0 HA LYS A 47 2.304 8.332 10.975 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.721 8.394 11.327 1.00 0.00 H new ATOM 0 HB3 LYS A 47 0.112 7.599 10.006 1.00 0.00 H new ATOM 0 HG2 LYS A 47 0.543 6.872 12.925 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -0.670 6.110 11.915 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.220 6.096 11.040 1.00 0.00 H new ATOM 0 HD3 LYS A 47 1.686 4.982 12.282 1.00 0.00 H new ATOM 0 HE2 LYS A 47 1.540 3.743 10.282 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.116 4.195 10.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 0.753 4.463 8.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -0.155 5.736 8.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 1.536 5.857 8.835 1.00 0.00 H new ATOM 740 N GLY A 48 1.931 11.175 10.504 1.00 0.00 N ATOM 741 CA GLY A 48 1.951 12.379 9.659 1.00 0.00 C ATOM 742 C GLY A 48 2.844 12.272 8.410 1.00 0.00 C ATOM 743 O GLY A 48 3.715 11.402 8.308 1.00 0.00 O ATOM 0 H GLY A 48 2.409 11.307 11.395 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.932 12.601 9.343 1.00 0.00 H new ATOM 0 HA3 GLY A 48 2.290 13.223 10.260 1.00 0.00 H new ATOM 747 N LYS A 49 2.629 13.183 7.449 1.00 0.00 N ATOM 748 CA LYS A 49 3.322 13.231 6.146 1.00 0.00 C ATOM 749 C LYS A 49 4.717 13.872 6.261 1.00 0.00 C ATOM 750 O LYS A 49 4.901 15.062 5.984 1.00 0.00 O ATOM 751 CB LYS A 49 2.390 13.896 5.108 1.00 0.00 C ATOM 752 CG LYS A 49 2.768 13.648 3.629 1.00 0.00 C ATOM 753 CD LYS A 49 3.910 14.497 3.040 1.00 0.00 C ATOM 754 CE LYS A 49 3.592 16.001 3.102 1.00 0.00 C ATOM 755 NZ LYS A 49 4.712 16.821 2.566 1.00 0.00 N1+ ATOM 0 H LYS A 49 1.946 13.933 7.558 1.00 0.00 H new ATOM 0 HA LYS A 49 3.528 12.221 5.792 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.374 13.536 5.272 1.00 0.00 H new ATOM 0 HB3 LYS A 49 2.380 14.971 5.288 1.00 0.00 H new ATOM 0 HG2 LYS A 49 3.039 12.598 3.522 1.00 0.00 H new ATOM 0 HG3 LYS A 49 1.878 13.812 3.021 1.00 0.00 H new ATOM 0 HD2 LYS A 49 4.831 14.297 3.587 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.084 14.204 2.005 1.00 0.00 H new ATOM 0 HE2 LYS A 49 2.686 16.205 2.532 1.00 0.00 H new ATOM 0 HE3 LYS A 49 3.391 16.289 4.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.463 17.829 2.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 5.571 16.644 3.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 4.887 16.564 1.574 1.00 0.00 H new ATOM 769 N GLN A 50 5.695 13.076 6.697 1.00 0.00 N ATOM 770 CA GLN A 50 7.131 13.392 6.630 1.00 0.00 C ATOM 771 C GLN A 50 7.678 13.209 5.192 1.00 0.00 C ATOM 772 O GLN A 50 7.010 12.621 4.332 1.00 0.00 O ATOM 773 CB GLN A 50 7.844 12.507 7.675 1.00 0.00 C ATOM 774 CG GLN A 50 9.297 12.912 7.978 1.00 0.00 C ATOM 775 CD GLN A 50 9.839 12.223 9.231 1.00 0.00 C ATOM 776 OE1 GLN A 50 10.001 12.825 10.286 1.00 0.00 O ATOM 777 NE2 GLN A 50 10.143 10.943 9.170 1.00 0.00 N ATOM 0 H GLN A 50 5.509 12.166 7.119 1.00 0.00 H new ATOM 0 HA GLN A 50 7.317 14.439 6.868 1.00 0.00 H new ATOM 0 HB2 GLN A 50 7.273 12.533 8.603 1.00 0.00 H new ATOM 0 HB3 GLN A 50 7.835 11.475 7.324 1.00 0.00 H new ATOM 0 HG2 GLN A 50 9.928 12.661 7.125 1.00 0.00 H new ATOM 0 HG3 GLN A 50 9.352 13.993 8.107 1.00 0.00 H new ATOM 0 HE21 GLN A 50 10.013 10.429 8.299 1.00 0.00 H new ATOM 0 HE22 GLN A 50 10.508 10.466 9.994 1.00 0.00 H new ATOM 786 N VAL A 51 8.903 13.683 4.923 1.00 0.00 N ATOM 787 CA VAL A 51 9.617 13.554 3.633 1.00 0.00 C ATOM 788 C VAL A 51 10.959 12.818 3.801 1.00 0.00 C ATOM 789 O VAL A 51 11.534 12.813 4.893 1.00 0.00 O ATOM 790 CB VAL A 51 9.832 14.925 2.957 1.00 0.00 C ATOM 791 CG1 VAL A 51 8.492 15.552 2.542 1.00 0.00 C ATOM 792 CG2 VAL A 51 10.588 15.935 3.833 1.00 0.00 C ATOM 0 H VAL A 51 9.449 14.187 5.621 1.00 0.00 H new ATOM 0 HA VAL A 51 8.981 12.956 2.980 1.00 0.00 H new ATOM 0 HB VAL A 51 10.447 14.715 2.082 1.00 0.00 H new ATOM 0 HG11 VAL A 51 8.673 16.517 2.068 1.00 0.00 H new ATOM 0 HG12 VAL A 51 7.984 14.892 1.839 1.00 0.00 H new ATOM 0 HG13 VAL A 51 7.867 15.692 3.424 1.00 0.00 H new ATOM 0 HG21 VAL A 51 10.701 16.874 3.291 1.00 0.00 H new ATOM 0 HG22 VAL A 51 10.028 16.111 4.751 1.00 0.00 H new ATOM 0 HG23 VAL A 51 11.573 15.538 4.079 1.00 0.00 H new ATOM 802 N ARG A 52 11.454 12.187 2.727 1.00 0.00 N ATOM 803 CA ARG A 52 12.672 11.345 2.730 1.00 0.00 C ATOM 804 C ARG A 52 13.415 11.340 1.388 1.00 0.00 C ATOM 805 O ARG A 52 12.900 11.840 0.386 1.00 0.00 O ATOM 806 CB ARG A 52 12.302 9.919 3.204 1.00 0.00 C ATOM 807 CG ARG A 52 11.411 9.063 2.276 1.00 0.00 C ATOM 808 CD ARG A 52 12.168 8.400 1.111 1.00 0.00 C ATOM 809 NE ARG A 52 11.419 7.260 0.545 1.00 0.00 N ATOM 810 CZ ARG A 52 11.835 6.430 -0.396 1.00 0.00 C ATOM 811 NH1 ARG A 52 12.974 6.588 -1.015 1.00 0.00 N1+ ATOM 812 NH2 ARG A 52 11.104 5.410 -0.744 1.00 0.00 N ATOM 0 H ARG A 52 11.014 12.245 1.809 1.00 0.00 H new ATOM 0 HA ARG A 52 13.382 11.783 3.432 1.00 0.00 H new ATOM 0 HB2 ARG A 52 13.229 9.372 3.377 1.00 0.00 H new ATOM 0 HB3 ARG A 52 11.798 10.006 4.167 1.00 0.00 H new ATOM 0 HG2 ARG A 52 10.928 8.287 2.869 1.00 0.00 H new ATOM 0 HG3 ARG A 52 10.619 9.692 1.869 1.00 0.00 H new ATOM 0 HD2 ARG A 52 12.351 9.138 0.330 1.00 0.00 H new ATOM 0 HD3 ARG A 52 13.142 8.057 1.460 1.00 0.00 H new ATOM 0 HE ARG A 52 10.484 7.096 0.919 1.00 0.00 H new ATOM 0 HH11 ARG A 52 13.579 7.374 -0.778 1.00 0.00 H new ATOM 0 HH12 ARG A 52 13.259 5.925 -1.736 1.00 0.00 H new ATOM 0 HH21 ARG A 52 10.205 5.248 -0.290 1.00 0.00 H new ATOM 0 HH22 ARG A 52 11.430 4.773 -1.471 1.00 0.00 H new ATOM 826 N ASN A 53 14.597 10.716 1.367 1.00 0.00 N ATOM 827 CA ASN A 53 15.437 10.546 0.168 1.00 0.00 C ATOM 828 C ASN A 53 15.987 9.114 -0.050 1.00 0.00 C ATOM 829 O ASN A 53 16.358 8.782 -1.178 1.00 0.00 O ATOM 830 CB ASN A 53 16.553 11.609 0.188 1.00 0.00 C ATOM 831 CG ASN A 53 17.483 11.499 1.401 1.00 0.00 C ATOM 832 OD1 ASN A 53 18.178 10.518 1.590 1.00 0.00 O ATOM 833 ND2 ASN A 53 17.490 12.494 2.254 1.00 0.00 N ATOM 0 H ASN A 53 15.010 10.303 2.203 1.00 0.00 H new ATOM 0 HA ASN A 53 14.794 10.697 -0.699 1.00 0.00 H new ATOM 0 HB2 ASN A 53 17.145 11.519 -0.723 1.00 0.00 H new ATOM 0 HB3 ASN A 53 16.100 12.600 0.177 1.00 0.00 H new ATOM 0 HD21 ASN A 53 18.081 12.450 3.084 1.00 0.00 H new ATOM 0 HD22 ASN A 53 16.904 13.312 2.088 1.00 0.00 H new ATOM 840 N PHE A 54 15.991 8.243 0.974 1.00 0.00 N ATOM 841 CA PHE A 54 16.517 6.864 0.876 1.00 0.00 C ATOM 842 C PHE A 54 15.790 5.814 1.751 1.00 0.00 C ATOM 843 O PHE A 54 15.861 4.619 1.445 1.00 0.00 O ATOM 844 CB PHE A 54 18.020 6.902 1.211 1.00 0.00 C ATOM 845 CG PHE A 54 18.766 5.602 0.961 1.00 0.00 C ATOM 846 CD1 PHE A 54 19.029 5.183 -0.358 1.00 0.00 C ATOM 847 CD2 PHE A 54 19.200 4.808 2.042 1.00 0.00 C ATOM 848 CE1 PHE A 54 19.713 3.976 -0.595 1.00 0.00 C ATOM 849 CE2 PHE A 54 19.886 3.603 1.805 1.00 0.00 C ATOM 850 CZ PHE A 54 20.143 3.186 0.487 1.00 0.00 C ATOM 0 H PHE A 54 15.628 8.474 1.899 1.00 0.00 H new ATOM 0 HA PHE A 54 16.336 6.529 -0.145 1.00 0.00 H new ATOM 0 HB2 PHE A 54 18.488 7.691 0.623 1.00 0.00 H new ATOM 0 HB3 PHE A 54 18.136 7.174 2.260 1.00 0.00 H new ATOM 0 HD1 PHE A 54 18.705 5.790 -1.190 1.00 0.00 H new ATOM 0 HD2 PHE A 54 19.005 5.126 3.056 1.00 0.00 H new ATOM 0 HE1 PHE A 54 19.908 3.656 -1.608 1.00 0.00 H new ATOM 0 HE2 PHE A 54 20.216 2.997 2.636 1.00 0.00 H new ATOM 0 HZ PHE A 54 20.670 2.261 0.305 1.00 0.00 H new ATOM 860 N SER A 55 15.050 6.236 2.790 1.00 0.00 N ATOM 861 CA SER A 55 14.415 5.357 3.797 1.00 0.00 C ATOM 862 C SER A 55 12.973 5.774 4.105 1.00 0.00 C ATOM 863 O SER A 55 12.053 4.992 3.779 1.00 0.00 O ATOM 864 CB SER A 55 15.237 5.346 5.094 1.00 0.00 C ATOM 865 OG SER A 55 16.554 4.873 4.843 1.00 0.00 O ATOM 866 OXT SER A 55 12.770 6.881 4.653 1.00 0.00 O1- ATOM 0 H SER A 55 14.870 7.225 2.961 1.00 0.00 H new ATOM 0 HA SER A 55 14.388 4.354 3.371 1.00 0.00 H new ATOM 0 HB2 SER A 55 15.279 6.351 5.514 1.00 0.00 H new ATOM 0 HB3 SER A 55 14.751 4.711 5.835 1.00 0.00 H new ATOM 0 HG SER A 55 17.066 4.873 5.678 1.00 0.00 H new TER 872 SER A 55 HETATM 873 ZN ZN A 101 13.971 6.820 14.326 1.00 0.00 ZN