USER MOD reduce.3.24.130724 H: found=0, std=0, add=543, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 541 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 38 HIS HD1 : A 38 HIS ND1 : A 201 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 3 SER OG : rot 180:sc=-0.00204 USER MOD Single : A 5 SER OG : rot 30:sc= 0.292 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 CYS SG : rot 28:sc= 0.109 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -0.0124 X(o=-0.012,f=-0.33) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.254 USER MOD Single : A 32 TYR OH : rot 15:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 THR OG1 : rot -140:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.013 X(o=-0.013,f=-0.092) USER MOD Single : A 49 THR OG1 : rot 180:sc= -1.08 USER MOD Single : A 54 GLN :FLIP amide:sc= 0 F(o=-0.61,f=0) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.197 USER MOD Single : A 58 SER OG : rot -170:sc= 0.00757 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.689 43.153 5.590 1.00 0.00 N ATOM 2 CA GLY A 1 -18.451 43.393 4.179 1.00 0.00 C ATOM 3 C GLY A 1 -17.002 43.730 3.885 1.00 0.00 C ATOM 4 O GLY A 1 -16.714 44.673 3.148 1.00 0.00 O ATOM 0 H1 GLY A 1 -19.693 42.927 5.739 1.00 0.00 H new ATOM 0 H2 GLY A 1 -18.103 42.356 5.910 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.441 44.004 6.134 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -18.738 42.509 3.610 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -19.087 44.211 3.840 1.00 0.00 H new ATOM 8 N SER A 2 -16.088 42.958 4.464 1.00 0.00 N ATOM 9 CA SER A 2 -14.661 43.182 4.265 1.00 0.00 C ATOM 10 C SER A 2 -14.079 42.153 3.300 1.00 0.00 C ATOM 11 O SER A 2 -14.580 41.035 3.191 1.00 0.00 O ATOM 12 CB SER A 2 -13.921 43.120 5.602 1.00 0.00 C ATOM 13 OG SER A 2 -12.604 43.628 5.481 1.00 0.00 O ATOM 0 H SER A 2 -16.310 42.172 5.075 1.00 0.00 H new ATOM 0 HA SER A 2 -14.531 44.174 3.833 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.468 43.693 6.351 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.885 42.089 5.954 1.00 0.00 H new ATOM 0 HG SER A 2 -12.153 43.579 6.350 1.00 0.00 H new ATOM 19 N SER A 3 -13.016 42.541 2.602 1.00 0.00 N ATOM 20 CA SER A 3 -12.367 41.655 1.643 1.00 0.00 C ATOM 21 C SER A 3 -10.878 41.522 1.948 1.00 0.00 C ATOM 22 O SER A 3 -10.262 42.432 2.501 1.00 0.00 O ATOM 23 CB SER A 3 -12.562 42.179 0.219 1.00 0.00 C ATOM 24 OG SER A 3 -11.798 41.429 -0.710 1.00 0.00 O ATOM 0 H SER A 3 -12.586 43.463 2.683 1.00 0.00 H new ATOM 0 HA SER A 3 -12.827 40.670 1.726 1.00 0.00 H new ATOM 0 HB2 SER A 3 -13.617 42.129 -0.049 1.00 0.00 H new ATOM 0 HB3 SER A 3 -12.271 43.228 0.171 1.00 0.00 H new ATOM 0 HG SER A 3 -11.941 41.783 -1.613 1.00 0.00 H new ATOM 30 N GLY A 4 -10.305 40.378 1.584 1.00 0.00 N ATOM 31 CA GLY A 4 -8.894 40.145 1.827 1.00 0.00 C ATOM 32 C GLY A 4 -8.627 38.783 2.436 1.00 0.00 C ATOM 33 O GLY A 4 -9.041 38.507 3.562 1.00 0.00 O ATOM 0 H GLY A 4 -10.793 39.609 1.125 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.348 40.233 0.888 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.511 40.918 2.493 1.00 0.00 H new ATOM 37 N SER A 5 -7.936 37.928 1.689 1.00 0.00 N ATOM 38 CA SER A 5 -7.619 36.584 2.159 1.00 0.00 C ATOM 39 C SER A 5 -6.676 35.877 1.191 1.00 0.00 C ATOM 40 O SER A 5 -7.000 35.688 0.019 1.00 0.00 O ATOM 41 CB SER A 5 -8.901 35.766 2.330 1.00 0.00 C ATOM 42 OG SER A 5 -9.643 35.723 1.123 1.00 0.00 O ATOM 0 H SER A 5 -7.585 38.142 0.756 1.00 0.00 H new ATOM 0 HA SER A 5 -7.120 36.672 3.124 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.650 34.752 2.643 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.512 36.202 3.121 1.00 0.00 H new ATOM 0 HG SER A 5 -9.030 35.780 0.360 1.00 0.00 H new ATOM 48 N SER A 6 -5.507 35.490 1.690 1.00 0.00 N ATOM 49 CA SER A 6 -4.513 34.807 0.869 1.00 0.00 C ATOM 50 C SER A 6 -3.474 34.110 1.742 1.00 0.00 C ATOM 51 O SER A 6 -3.265 34.482 2.896 1.00 0.00 O ATOM 52 CB SER A 6 -3.825 35.802 -0.068 1.00 0.00 C ATOM 53 OG SER A 6 -3.040 36.730 0.661 1.00 0.00 O ATOM 0 H SER A 6 -5.224 35.637 2.659 1.00 0.00 H new ATOM 0 HA SER A 6 -5.026 34.052 0.273 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.194 35.264 -0.775 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.575 36.335 -0.652 1.00 0.00 H new ATOM 0 HG SER A 6 -2.610 37.354 0.040 1.00 0.00 H new ATOM 59 N GLY A 7 -2.824 33.095 1.181 1.00 0.00 N ATOM 60 CA GLY A 7 -1.815 32.360 1.920 1.00 0.00 C ATOM 61 C GLY A 7 -1.113 31.321 1.069 1.00 0.00 C ATOM 62 O GLY A 7 -1.515 30.159 1.013 1.00 0.00 O ATOM 0 H GLY A 7 -2.979 32.769 0.227 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.078 33.059 2.316 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.281 31.870 2.775 1.00 0.00 H new ATOM 66 N PRO A 8 -0.039 31.739 0.383 1.00 0.00 N ATOM 67 CA PRO A 8 0.742 30.852 -0.484 1.00 0.00 C ATOM 68 C PRO A 8 1.530 29.814 0.308 1.00 0.00 C ATOM 69 O PRO A 8 1.976 30.080 1.425 1.00 0.00 O ATOM 70 CB PRO A 8 1.693 31.809 -1.206 1.00 0.00 C ATOM 71 CG PRO A 8 1.825 32.976 -0.290 1.00 0.00 C ATOM 72 CD PRO A 8 0.496 33.111 0.401 1.00 0.00 C ATOM 0 HA PRO A 8 0.106 30.274 -1.155 1.00 0.00 H new ATOM 0 HB2 PRO A 8 2.660 31.341 -1.392 1.00 0.00 H new ATOM 0 HB3 PRO A 8 1.292 32.109 -2.174 1.00 0.00 H new ATOM 0 HG2 PRO A 8 2.626 32.817 0.432 1.00 0.00 H new ATOM 0 HG3 PRO A 8 2.071 33.882 -0.844 1.00 0.00 H new ATOM 0 HD2 PRO A 8 0.608 33.485 1.419 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -0.161 33.805 -0.123 1.00 0.00 H new ATOM 80 N CYS A 9 1.697 28.633 -0.276 1.00 0.00 N ATOM 81 CA CYS A 9 2.432 27.555 0.376 1.00 0.00 C ATOM 82 C CYS A 9 3.817 27.389 -0.241 1.00 0.00 C ATOM 83 O CYS A 9 3.971 27.421 -1.462 1.00 0.00 O ATOM 84 CB CYS A 9 1.653 26.243 0.271 1.00 0.00 C ATOM 85 SG CYS A 9 1.329 25.711 -1.427 1.00 0.00 S ATOM 0 H CYS A 9 1.334 28.397 -1.199 1.00 0.00 H new ATOM 0 HA CYS A 9 2.552 27.815 1.428 1.00 0.00 H new ATOM 0 HB2 CYS A 9 2.210 25.460 0.786 1.00 0.00 H new ATOM 0 HB3 CYS A 9 0.703 26.354 0.793 1.00 0.00 H new ATOM 0 HG CYS A 9 2.259 26.170 -2.211 1.00 0.00 H new ATOM 91 N TYR A 10 4.821 27.214 0.610 1.00 0.00 N ATOM 92 CA TYR A 10 6.194 27.048 0.149 1.00 0.00 C ATOM 93 C TYR A 10 6.557 25.570 0.039 1.00 0.00 C ATOM 94 O TYR A 10 7.093 24.981 0.976 1.00 0.00 O ATOM 95 CB TYR A 10 7.163 27.753 1.100 1.00 0.00 C ATOM 96 CG TYR A 10 7.193 29.255 0.930 1.00 0.00 C ATOM 97 CD1 TYR A 10 6.145 30.046 1.383 1.00 0.00 C ATOM 98 CD2 TYR A 10 8.270 29.883 0.317 1.00 0.00 C ATOM 99 CE1 TYR A 10 6.168 31.419 1.230 1.00 0.00 C ATOM 100 CE2 TYR A 10 8.303 31.255 0.161 1.00 0.00 C ATOM 101 CZ TYR A 10 7.249 32.019 0.618 1.00 0.00 C ATOM 102 OH TYR A 10 7.276 33.386 0.464 1.00 0.00 O ATOM 0 H TYR A 10 4.710 27.183 1.623 1.00 0.00 H new ATOM 0 HA TYR A 10 6.275 27.498 -0.840 1.00 0.00 H new ATOM 0 HB2 TYR A 10 6.886 27.518 2.128 1.00 0.00 H new ATOM 0 HB3 TYR A 10 8.166 27.358 0.942 1.00 0.00 H new ATOM 0 HD1 TYR A 10 5.297 29.580 1.863 1.00 0.00 H new ATOM 0 HD2 TYR A 10 9.096 29.288 -0.044 1.00 0.00 H new ATOM 0 HE1 TYR A 10 5.344 32.019 1.588 1.00 0.00 H new ATOM 0 HE2 TYR A 10 9.149 31.727 -0.316 1.00 0.00 H new ATOM 0 HH TYR A 10 8.107 33.648 0.015 1.00 0.00 H new ATOM 112 N GLU A 11 6.260 24.979 -1.114 1.00 0.00 N ATOM 113 CA GLU A 11 6.555 23.570 -1.348 1.00 0.00 C ATOM 114 C GLU A 11 7.001 23.339 -2.789 1.00 0.00 C ATOM 115 O GLU A 11 6.213 23.478 -3.723 1.00 0.00 O ATOM 116 CB GLU A 11 5.326 22.712 -1.039 1.00 0.00 C ATOM 117 CG GLU A 11 5.021 22.598 0.445 1.00 0.00 C ATOM 118 CD GLU A 11 3.635 22.044 0.714 1.00 0.00 C ATOM 119 OE1 GLU A 11 3.423 20.836 0.479 1.00 0.00 O ATOM 120 OE2 GLU A 11 2.762 22.819 1.160 1.00 0.00 O ATOM 0 H GLU A 11 5.816 25.453 -1.900 1.00 0.00 H new ATOM 0 HA GLU A 11 7.369 23.280 -0.684 1.00 0.00 H new ATOM 0 HB2 GLU A 11 4.460 23.136 -1.548 1.00 0.00 H new ATOM 0 HB3 GLU A 11 5.479 21.713 -1.448 1.00 0.00 H new ATOM 0 HG2 GLU A 11 5.764 21.954 0.916 1.00 0.00 H new ATOM 0 HG3 GLU A 11 5.112 23.581 0.907 1.00 0.00 H new ATOM 127 N ASN A 12 8.271 22.986 -2.959 1.00 0.00 N ATOM 128 CA ASN A 12 8.824 22.737 -4.285 1.00 0.00 C ATOM 129 C ASN A 12 8.554 21.302 -4.726 1.00 0.00 C ATOM 130 O ASN A 12 7.977 21.065 -5.788 1.00 0.00 O ATOM 131 CB ASN A 12 10.329 23.010 -4.293 1.00 0.00 C ATOM 132 CG ASN A 12 10.649 24.491 -4.343 1.00 0.00 C ATOM 133 OD1 ASN A 12 10.077 25.234 -5.141 1.00 0.00 O ATOM 134 ND2 ASN A 12 11.566 24.928 -3.488 1.00 0.00 N ATOM 0 H ASN A 12 8.936 22.866 -2.195 1.00 0.00 H new ATOM 0 HA ASN A 12 8.336 23.413 -4.987 1.00 0.00 H new ATOM 0 HB2 ASN A 12 10.779 22.574 -3.401 1.00 0.00 H new ATOM 0 HB3 ASN A 12 10.781 22.515 -5.153 1.00 0.00 H new ATOM 0 HD21 ASN A 12 11.822 25.915 -3.475 1.00 0.00 H new ATOM 0 HD22 ASN A 12 12.015 24.276 -2.844 1.00 0.00 H new ATOM 141 N LYS A 13 8.974 20.347 -3.903 1.00 0.00 N ATOM 142 CA LYS A 13 8.776 18.934 -4.206 1.00 0.00 C ATOM 143 C LYS A 13 7.607 18.365 -3.408 1.00 0.00 C ATOM 144 O LYS A 13 7.380 18.751 -2.261 1.00 0.00 O ATOM 145 CB LYS A 13 10.050 18.143 -3.900 1.00 0.00 C ATOM 146 CG LYS A 13 9.985 16.691 -4.343 1.00 0.00 C ATOM 147 CD LYS A 13 10.012 16.569 -5.857 1.00 0.00 C ATOM 148 CE LYS A 13 9.353 15.280 -6.323 1.00 0.00 C ATOM 149 NZ LYS A 13 9.536 15.061 -7.785 1.00 0.00 N ATOM 0 H LYS A 13 9.454 20.526 -3.021 1.00 0.00 H new ATOM 0 HA LYS A 13 8.546 18.844 -5.268 1.00 0.00 H new ATOM 0 HB2 LYS A 13 10.895 18.627 -4.391 1.00 0.00 H new ATOM 0 HB3 LYS A 13 10.241 18.179 -2.828 1.00 0.00 H new ATOM 0 HG2 LYS A 13 10.825 16.142 -3.918 1.00 0.00 H new ATOM 0 HG3 LYS A 13 9.075 16.232 -3.956 1.00 0.00 H new ATOM 0 HD2 LYS A 13 9.500 17.422 -6.301 1.00 0.00 H new ATOM 0 HD3 LYS A 13 11.044 16.599 -6.207 1.00 0.00 H new ATOM 0 HE2 LYS A 13 9.774 14.438 -5.774 1.00 0.00 H new ATOM 0 HE3 LYS A 13 8.288 15.312 -6.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 9.073 14.173 -8.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 9.112 15.852 -8.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 10.551 15.005 -8.003 1.00 0.00 H new ATOM 163 N PHE A 14 6.870 17.445 -4.021 1.00 0.00 N ATOM 164 CA PHE A 14 5.725 16.823 -3.367 1.00 0.00 C ATOM 165 C PHE A 14 5.567 15.372 -3.812 1.00 0.00 C ATOM 166 O PHE A 14 5.338 15.094 -4.989 1.00 0.00 O ATOM 167 CB PHE A 14 4.447 17.605 -3.676 1.00 0.00 C ATOM 168 CG PHE A 14 3.339 17.355 -2.693 1.00 0.00 C ATOM 169 CD1 PHE A 14 2.725 16.115 -2.621 1.00 0.00 C ATOM 170 CD2 PHE A 14 2.911 18.361 -1.841 1.00 0.00 C ATOM 171 CE1 PHE A 14 1.706 15.882 -1.717 1.00 0.00 C ATOM 172 CE2 PHE A 14 1.893 18.134 -0.935 1.00 0.00 C ATOM 173 CZ PHE A 14 1.288 16.893 -0.874 1.00 0.00 C ATOM 0 H PHE A 14 7.045 17.114 -4.970 1.00 0.00 H new ATOM 0 HA PHE A 14 5.900 16.838 -2.291 1.00 0.00 H new ATOM 0 HB2 PHE A 14 4.677 18.670 -3.689 1.00 0.00 H new ATOM 0 HB3 PHE A 14 4.102 17.341 -4.676 1.00 0.00 H new ATOM 0 HD1 PHE A 14 3.047 15.321 -3.279 1.00 0.00 H new ATOM 0 HD2 PHE A 14 3.379 19.333 -1.886 1.00 0.00 H new ATOM 0 HE1 PHE A 14 1.237 14.910 -1.670 1.00 0.00 H new ATOM 0 HE2 PHE A 14 1.570 18.926 -0.275 1.00 0.00 H new ATOM 0 HZ PHE A 14 0.490 16.714 -0.169 1.00 0.00 H new ATOM 183 N ALA A 15 5.691 14.451 -2.862 1.00 0.00 N ATOM 184 CA ALA A 15 5.561 13.029 -3.155 1.00 0.00 C ATOM 185 C ALA A 15 4.596 12.355 -2.186 1.00 0.00 C ATOM 186 O ALA A 15 4.378 12.818 -1.066 1.00 0.00 O ATOM 187 CB ALA A 15 6.923 12.352 -3.103 1.00 0.00 C ATOM 0 H ALA A 15 5.881 14.664 -1.883 1.00 0.00 H new ATOM 0 HA ALA A 15 5.155 12.927 -4.161 1.00 0.00 H new ATOM 0 HB1 ALA A 15 6.810 11.291 -3.324 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.584 12.808 -3.840 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.351 12.472 -2.108 1.00 0.00 H new ATOM 193 N PRO A 16 4.002 11.235 -2.624 1.00 0.00 N ATOM 194 CA PRO A 16 3.049 10.473 -1.811 1.00 0.00 C ATOM 195 C PRO A 16 3.722 9.773 -0.635 1.00 0.00 C ATOM 196 O PRO A 16 4.948 9.671 -0.580 1.00 0.00 O ATOM 197 CB PRO A 16 2.485 9.445 -2.794 1.00 0.00 C ATOM 198 CG PRO A 16 3.549 9.282 -3.824 1.00 0.00 C ATOM 199 CD PRO A 16 4.214 10.625 -3.948 1.00 0.00 C ATOM 0 HA PRO A 16 2.290 11.115 -1.364 1.00 0.00 H new ATOM 0 HB2 PRO A 16 2.267 8.500 -2.297 1.00 0.00 H new ATOM 0 HB3 PRO A 16 1.553 9.793 -3.239 1.00 0.00 H new ATOM 0 HG2 PRO A 16 4.266 8.517 -3.526 1.00 0.00 H new ATOM 0 HG3 PRO A 16 3.124 8.967 -4.777 1.00 0.00 H new ATOM 0 HD2 PRO A 16 5.274 10.528 -4.181 1.00 0.00 H new ATOM 0 HD3 PRO A 16 3.767 11.223 -4.742 1.00 0.00 H new ATOM 207 N ARG A 17 2.912 9.293 0.303 1.00 0.00 N ATOM 208 CA ARG A 17 3.430 8.603 1.479 1.00 0.00 C ATOM 209 C ARG A 17 2.621 7.342 1.769 1.00 0.00 C ATOM 210 O ARG A 17 1.399 7.327 1.620 1.00 0.00 O ATOM 211 CB ARG A 17 3.402 9.531 2.695 1.00 0.00 C ATOM 212 CG ARG A 17 4.208 10.805 2.507 1.00 0.00 C ATOM 213 CD ARG A 17 4.225 11.646 3.774 1.00 0.00 C ATOM 214 NE ARG A 17 4.669 13.013 3.518 1.00 0.00 N ATOM 215 CZ ARG A 17 4.458 14.023 4.355 1.00 0.00 C ATOM 216 NH1 ARG A 17 3.814 13.820 5.496 1.00 0.00 N ATOM 217 NH2 ARG A 17 4.892 15.240 4.051 1.00 0.00 N ATOM 0 H ARG A 17 1.895 9.369 0.272 1.00 0.00 H new ATOM 0 HA ARG A 17 4.461 8.314 1.275 1.00 0.00 H new ATOM 0 HB2 ARG A 17 2.368 9.795 2.916 1.00 0.00 H new ATOM 0 HB3 ARG A 17 3.786 8.993 3.561 1.00 0.00 H new ATOM 0 HG2 ARG A 17 5.230 10.552 2.223 1.00 0.00 H new ATOM 0 HG3 ARG A 17 3.785 11.387 1.688 1.00 0.00 H new ATOM 0 HD2 ARG A 17 3.226 11.665 4.210 1.00 0.00 H new ATOM 0 HD3 ARG A 17 4.884 11.182 4.508 1.00 0.00 H new ATOM 0 HE ARG A 17 5.168 13.203 2.649 1.00 0.00 H new ATOM 0 HH11 ARG A 17 3.479 12.886 5.733 1.00 0.00 H new ATOM 0 HH12 ARG A 17 3.654 14.598 6.136 1.00 0.00 H new ATOM 0 HH21 ARG A 17 5.388 15.400 3.174 1.00 0.00 H new ATOM 0 HH22 ARG A 17 4.730 16.015 4.694 1.00 0.00 H new ATOM 231 N CYS A 18 3.311 6.285 2.184 1.00 0.00 N ATOM 232 CA CYS A 18 2.659 5.019 2.494 1.00 0.00 C ATOM 233 C CYS A 18 1.385 5.247 3.303 1.00 0.00 C ATOM 234 O CYS A 18 1.401 5.937 4.322 1.00 0.00 O ATOM 235 CB CYS A 18 3.612 4.106 3.269 1.00 0.00 C ATOM 236 SG CYS A 18 2.935 2.453 3.624 1.00 0.00 S ATOM 0 H CYS A 18 4.323 6.281 2.313 1.00 0.00 H new ATOM 0 HA CYS A 18 2.390 4.538 1.554 1.00 0.00 H new ATOM 0 HB2 CYS A 18 4.534 3.994 2.699 1.00 0.00 H new ATOM 0 HB3 CYS A 18 3.875 4.589 4.210 1.00 0.00 H new ATOM 241 N ALA A 19 0.285 4.662 2.842 1.00 0.00 N ATOM 242 CA ALA A 19 -0.996 4.799 3.523 1.00 0.00 C ATOM 243 C ALA A 19 -0.951 4.166 4.910 1.00 0.00 C ATOM 244 O ALA A 19 -1.806 4.436 5.754 1.00 0.00 O ATOM 245 CB ALA A 19 -2.106 4.174 2.691 1.00 0.00 C ATOM 0 H ALA A 19 0.255 4.088 1.999 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.203 5.862 3.644 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.057 4.284 3.212 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.162 4.674 1.724 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.895 3.115 2.540 1.00 0.00 H new ATOM 251 N ARG A 20 0.050 3.323 5.138 1.00 0.00 N ATOM 252 CA ARG A 20 0.205 2.650 6.422 1.00 0.00 C ATOM 253 C ARG A 20 1.091 3.464 7.359 1.00 0.00 C ATOM 254 O ARG A 20 0.678 3.829 8.461 1.00 0.00 O ATOM 255 CB ARG A 20 0.801 1.255 6.222 1.00 0.00 C ATOM 256 CG ARG A 20 1.251 0.595 7.515 1.00 0.00 C ATOM 257 CD ARG A 20 0.066 0.231 8.397 1.00 0.00 C ATOM 258 NE ARG A 20 -0.388 1.365 9.198 1.00 0.00 N ATOM 259 CZ ARG A 20 -1.598 1.444 9.740 1.00 0.00 C ATOM 260 NH1 ARG A 20 -2.471 0.461 9.567 1.00 0.00 N ATOM 261 NH2 ARG A 20 -1.937 2.508 10.456 1.00 0.00 N ATOM 0 H ARG A 20 0.766 3.089 4.450 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.782 2.554 6.875 1.00 0.00 H new ATOM 0 HB2 ARG A 20 0.060 0.619 5.738 1.00 0.00 H new ATOM 0 HB3 ARG A 20 1.652 1.326 5.545 1.00 0.00 H new ATOM 0 HG2 ARG A 20 1.825 -0.303 7.286 1.00 0.00 H new ATOM 0 HG3 ARG A 20 1.916 1.268 8.056 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.755 -0.124 7.774 1.00 0.00 H new ATOM 0 HD3 ARG A 20 0.344 -0.591 9.057 1.00 0.00 H new ATOM 0 HE ARG A 20 0.260 2.138 9.349 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -2.214 -0.358 9.017 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -3.400 0.524 9.984 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -1.268 3.266 10.591 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -2.866 2.568 10.872 1.00 0.00 H new ATOM 275 N CYS A 21 2.311 3.747 6.915 1.00 0.00 N ATOM 276 CA CYS A 21 3.257 4.517 7.713 1.00 0.00 C ATOM 277 C CYS A 21 3.131 6.008 7.416 1.00 0.00 C ATOM 278 O CYS A 21 3.172 6.838 8.325 1.00 0.00 O ATOM 279 CB CYS A 21 4.688 4.050 7.438 1.00 0.00 C ATOM 280 SG CYS A 21 4.842 2.258 7.151 1.00 0.00 S ATOM 0 H CYS A 21 2.668 3.454 6.005 1.00 0.00 H new ATOM 0 HA CYS A 21 3.025 4.353 8.765 1.00 0.00 H new ATOM 0 HB2 CYS A 21 5.071 4.581 6.567 1.00 0.00 H new ATOM 0 HB3 CYS A 21 5.318 4.327 8.283 1.00 0.00 H new ATOM 285 N SER A 22 2.978 6.341 6.139 1.00 0.00 N ATOM 286 CA SER A 22 2.850 7.732 5.721 1.00 0.00 C ATOM 287 C SER A 22 4.172 8.475 5.891 1.00 0.00 C ATOM 288 O SER A 22 4.219 9.558 6.474 1.00 0.00 O ATOM 289 CB SER A 22 1.753 8.430 6.527 1.00 0.00 C ATOM 290 OG SER A 22 1.235 9.546 5.824 1.00 0.00 O ATOM 0 H SER A 22 2.940 5.666 5.375 1.00 0.00 H new ATOM 0 HA SER A 22 2.579 7.744 4.665 1.00 0.00 H new ATOM 0 HB2 SER A 22 0.949 7.725 6.739 1.00 0.00 H new ATOM 0 HB3 SER A 22 2.154 8.755 7.487 1.00 0.00 H new ATOM 0 HG SER A 22 0.535 9.974 6.360 1.00 0.00 H new ATOM 296 N LYS A 23 5.246 7.883 5.378 1.00 0.00 N ATOM 297 CA LYS A 23 6.570 8.487 5.470 1.00 0.00 C ATOM 298 C LYS A 23 6.943 9.183 4.165 1.00 0.00 C ATOM 299 O LYS A 23 6.902 10.410 4.070 1.00 0.00 O ATOM 300 CB LYS A 23 7.615 7.422 5.810 1.00 0.00 C ATOM 301 CG LYS A 23 7.582 6.978 7.262 1.00 0.00 C ATOM 302 CD LYS A 23 8.958 6.556 7.748 1.00 0.00 C ATOM 303 CE LYS A 23 8.864 5.547 8.882 1.00 0.00 C ATOM 304 NZ LYS A 23 8.600 4.171 8.380 1.00 0.00 N ATOM 0 H LYS A 23 5.225 6.985 4.894 1.00 0.00 H new ATOM 0 HA LYS A 23 6.548 9.233 6.265 1.00 0.00 H new ATOM 0 HB2 LYS A 23 7.458 6.554 5.170 1.00 0.00 H new ATOM 0 HB3 LYS A 23 8.607 7.812 5.581 1.00 0.00 H new ATOM 0 HG2 LYS A 23 7.210 7.792 7.884 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.885 6.147 7.374 1.00 0.00 H new ATOM 0 HD2 LYS A 23 9.520 6.123 6.920 1.00 0.00 H new ATOM 0 HD3 LYS A 23 9.511 7.433 8.085 1.00 0.00 H new ATOM 0 HE2 LYS A 23 9.793 5.554 9.452 1.00 0.00 H new ATOM 0 HE3 LYS A 23 8.069 5.843 9.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 8.543 3.513 9.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.701 4.159 7.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 9.372 3.878 7.747 1.00 0.00 H new ATOM 318 N THR A 24 7.305 8.391 3.160 1.00 0.00 N ATOM 319 CA THR A 24 7.685 8.931 1.861 1.00 0.00 C ATOM 320 C THR A 24 7.763 7.830 0.809 1.00 0.00 C ATOM 321 O THR A 24 8.068 6.678 1.123 1.00 0.00 O ATOM 322 CB THR A 24 9.041 9.658 1.929 1.00 0.00 C ATOM 323 OG1 THR A 24 9.863 9.068 2.942 1.00 0.00 O ATOM 324 CG2 THR A 24 8.848 11.138 2.224 1.00 0.00 C ATOM 0 H THR A 24 7.343 7.374 3.221 1.00 0.00 H new ATOM 0 HA THR A 24 6.912 9.646 1.578 1.00 0.00 H new ATOM 0 HB THR A 24 9.531 9.558 0.960 1.00 0.00 H new ATOM 0 HG1 THR A 24 10.724 9.535 2.978 1.00 0.00 H new ATOM 0 HG21 THR A 24 9.820 11.630 2.267 1.00 0.00 H new ATOM 0 HG22 THR A 24 8.247 11.591 1.436 1.00 0.00 H new ATOM 0 HG23 THR A 24 8.339 11.255 3.181 1.00 0.00 H new ATOM 332 N LEU A 25 7.488 8.190 -0.439 1.00 0.00 N ATOM 333 CA LEU A 25 7.529 7.232 -1.538 1.00 0.00 C ATOM 334 C LEU A 25 8.254 7.818 -2.745 1.00 0.00 C ATOM 335 O LEU A 25 7.774 7.730 -3.876 1.00 0.00 O ATOM 336 CB LEU A 25 6.110 6.818 -1.933 1.00 0.00 C ATOM 337 CG LEU A 25 5.379 5.903 -0.950 1.00 0.00 C ATOM 338 CD1 LEU A 25 3.885 6.184 -0.969 1.00 0.00 C ATOM 339 CD2 LEU A 25 5.653 4.443 -1.277 1.00 0.00 C ATOM 0 H LEU A 25 7.234 9.138 -0.716 1.00 0.00 H new ATOM 0 HA LEU A 25 8.077 6.353 -1.200 1.00 0.00 H new ATOM 0 HB2 LEU A 25 5.515 7.721 -2.069 1.00 0.00 H new ATOM 0 HB3 LEU A 25 6.155 6.317 -2.900 1.00 0.00 H new ATOM 0 HG LEU A 25 5.753 6.107 0.053 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.382 5.523 -0.263 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.706 7.221 -0.686 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.495 6.009 -1.972 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.125 3.806 -0.567 1.00 0.00 H new ATOM 0 HD22 LEU A 25 5.307 4.225 -2.287 1.00 0.00 H new ATOM 0 HD23 LEU A 25 6.724 4.250 -1.211 1.00 0.00 H new ATOM 351 N THR A 26 9.416 8.415 -2.498 1.00 0.00 N ATOM 352 CA THR A 26 10.209 9.014 -3.564 1.00 0.00 C ATOM 353 C THR A 26 10.587 7.979 -4.617 1.00 0.00 C ATOM 354 O THR A 26 10.719 8.301 -5.798 1.00 0.00 O ATOM 355 CB THR A 26 11.494 9.661 -3.013 1.00 0.00 C ATOM 356 OG1 THR A 26 12.186 8.734 -2.169 1.00 0.00 O ATOM 357 CG2 THR A 26 11.170 10.924 -2.229 1.00 0.00 C ATOM 0 H THR A 26 9.829 8.496 -1.569 1.00 0.00 H new ATOM 0 HA THR A 26 9.590 9.785 -4.022 1.00 0.00 H new ATOM 0 HB THR A 26 12.130 9.929 -3.856 1.00 0.00 H new ATOM 0 HG1 THR A 26 13.002 9.152 -1.824 1.00 0.00 H new ATOM 0 HG21 THR A 26 12.093 11.363 -1.850 1.00 0.00 H new ATOM 0 HG22 THR A 26 10.669 11.639 -2.882 1.00 0.00 H new ATOM 0 HG23 THR A 26 10.516 10.676 -1.393 1.00 0.00 H new ATOM 365 N GLN A 27 10.759 6.735 -4.182 1.00 0.00 N ATOM 366 CA GLN A 27 11.122 5.653 -5.089 1.00 0.00 C ATOM 367 C GLN A 27 9.878 4.960 -5.636 1.00 0.00 C ATOM 368 O GLN A 27 8.780 5.127 -5.107 1.00 0.00 O ATOM 369 CB GLN A 27 12.013 4.636 -4.373 1.00 0.00 C ATOM 370 CG GLN A 27 13.478 5.040 -4.322 1.00 0.00 C ATOM 371 CD GLN A 27 14.313 4.099 -3.477 1.00 0.00 C ATOM 372 OE1 GLN A 27 13.933 2.951 -3.244 1.00 0.00 O ATOM 373 NE2 GLN A 27 15.460 4.581 -3.012 1.00 0.00 N ATOM 0 H GLN A 27 10.653 6.452 -3.208 1.00 0.00 H new ATOM 0 HA GLN A 27 11.673 6.084 -5.925 1.00 0.00 H new ATOM 0 HB2 GLN A 27 11.647 4.498 -3.356 1.00 0.00 H new ATOM 0 HB3 GLN A 27 11.928 3.673 -4.876 1.00 0.00 H new ATOM 0 HG2 GLN A 27 13.879 5.066 -5.335 1.00 0.00 H new ATOM 0 HG3 GLN A 27 13.559 6.051 -3.921 1.00 0.00 H new ATOM 0 HE21 GLN A 27 15.736 5.538 -3.229 1.00 0.00 H new ATOM 0 HE22 GLN A 27 16.064 3.994 -2.437 1.00 0.00 H new ATOM 382 N GLY A 28 10.059 4.182 -6.699 1.00 0.00 N ATOM 383 CA GLY A 28 8.942 3.477 -7.300 1.00 0.00 C ATOM 384 C GLY A 28 8.152 2.671 -6.288 1.00 0.00 C ATOM 385 O GLY A 28 8.671 1.726 -5.696 1.00 0.00 O ATOM 0 H GLY A 28 10.959 4.028 -7.154 1.00 0.00 H new ATOM 0 HA2 GLY A 28 8.280 4.196 -7.783 1.00 0.00 H new ATOM 0 HA3 GLY A 28 9.313 2.812 -8.079 1.00 0.00 H new ATOM 389 N GLY A 29 6.893 3.048 -6.086 1.00 0.00 N ATOM 390 CA GLY A 29 6.051 2.345 -5.136 1.00 0.00 C ATOM 391 C GLY A 29 4.791 1.795 -5.774 1.00 0.00 C ATOM 392 O GLY A 29 4.732 1.608 -6.989 1.00 0.00 O ATOM 0 H GLY A 29 6.441 3.828 -6.564 1.00 0.00 H new ATOM 0 HA2 GLY A 29 6.616 1.526 -4.691 1.00 0.00 H new ATOM 0 HA3 GLY A 29 5.779 3.022 -4.326 1.00 0.00 H new ATOM 396 N VAL A 30 3.780 1.532 -4.952 1.00 0.00 N ATOM 397 CA VAL A 30 2.515 0.999 -5.443 1.00 0.00 C ATOM 398 C VAL A 30 1.332 1.741 -4.833 1.00 0.00 C ATOM 399 O VAL A 30 1.502 2.592 -3.958 1.00 0.00 O ATOM 400 CB VAL A 30 2.380 -0.504 -5.131 1.00 0.00 C ATOM 401 CG1 VAL A 30 3.409 -1.306 -5.913 1.00 0.00 C ATOM 402 CG2 VAL A 30 2.522 -0.752 -3.637 1.00 0.00 C ATOM 0 H VAL A 30 3.813 1.679 -3.943 1.00 0.00 H new ATOM 0 HA VAL A 30 2.511 1.140 -6.524 1.00 0.00 H new ATOM 0 HB VAL A 30 1.388 -0.834 -5.438 1.00 0.00 H new ATOM 0 HG11 VAL A 30 3.299 -2.365 -5.680 1.00 0.00 H new ATOM 0 HG12 VAL A 30 3.256 -1.152 -6.981 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.411 -0.977 -5.639 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.424 -1.818 -3.434 1.00 0.00 H new ATOM 0 HG22 VAL A 30 3.500 -0.407 -3.302 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.743 -0.208 -3.102 1.00 0.00 H new ATOM 412 N THR A 31 0.130 1.414 -5.299 1.00 0.00 N ATOM 413 CA THR A 31 -1.082 2.050 -4.800 1.00 0.00 C ATOM 414 C THR A 31 -2.199 1.030 -4.606 1.00 0.00 C ATOM 415 O THR A 31 -2.556 0.303 -5.534 1.00 0.00 O ATOM 416 CB THR A 31 -1.571 3.155 -5.756 1.00 0.00 C ATOM 417 OG1 THR A 31 -2.599 3.928 -5.126 1.00 0.00 O ATOM 418 CG2 THR A 31 -2.102 2.555 -7.049 1.00 0.00 C ATOM 0 H THR A 31 -0.029 0.712 -6.022 1.00 0.00 H new ATOM 0 HA THR A 31 -0.831 2.497 -3.838 1.00 0.00 H new ATOM 0 HB THR A 31 -0.725 3.800 -5.993 1.00 0.00 H new ATOM 0 HG1 THR A 31 -2.903 4.629 -5.739 1.00 0.00 H new ATOM 0 HG21 THR A 31 -2.442 3.354 -7.708 1.00 0.00 H new ATOM 0 HG22 THR A 31 -1.309 1.991 -7.541 1.00 0.00 H new ATOM 0 HG23 THR A 31 -2.936 1.890 -6.826 1.00 0.00 H new ATOM 426 N TYR A 32 -2.746 0.982 -3.397 1.00 0.00 N ATOM 427 CA TYR A 32 -3.821 0.049 -3.082 1.00 0.00 C ATOM 428 C TYR A 32 -5.088 0.795 -2.673 1.00 0.00 C ATOM 429 O TYR A 32 -5.087 1.560 -1.708 1.00 0.00 O ATOM 430 CB TYR A 32 -3.391 -0.899 -1.961 1.00 0.00 C ATOM 431 CG TYR A 32 -4.549 -1.543 -1.234 1.00 0.00 C ATOM 432 CD1 TYR A 32 -5.203 -0.881 -0.202 1.00 0.00 C ATOM 433 CD2 TYR A 32 -4.991 -2.814 -1.581 1.00 0.00 C ATOM 434 CE1 TYR A 32 -6.261 -1.467 0.465 1.00 0.00 C ATOM 435 CE2 TYR A 32 -6.050 -3.407 -0.920 1.00 0.00 C ATOM 436 CZ TYR A 32 -6.681 -2.730 0.102 1.00 0.00 C ATOM 437 OH TYR A 32 -7.736 -3.316 0.763 1.00 0.00 O ATOM 0 H TYR A 32 -2.463 1.578 -2.619 1.00 0.00 H new ATOM 0 HA TYR A 32 -4.036 -0.533 -3.978 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -2.757 -1.680 -2.381 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -2.784 -0.347 -1.243 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -4.878 0.109 0.083 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -4.499 -3.347 -2.381 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -6.757 -0.939 1.266 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -6.381 -4.395 -1.202 1.00 0.00 H new ATOM 0 HH TYR A 32 -8.217 -2.636 1.279 1.00 0.00 H new ATOM 447 N ARG A 33 -6.167 0.567 -3.416 1.00 0.00 N ATOM 448 CA ARG A 33 -7.440 1.218 -3.132 1.00 0.00 C ATOM 449 C ARG A 33 -7.320 2.732 -3.271 1.00 0.00 C ATOM 450 O ARG A 33 -7.651 3.478 -2.349 1.00 0.00 O ATOM 451 CB ARG A 33 -7.918 0.860 -1.724 1.00 0.00 C ATOM 452 CG ARG A 33 -8.541 -0.523 -1.624 1.00 0.00 C ATOM 453 CD ARG A 33 -9.564 -0.593 -0.502 1.00 0.00 C ATOM 454 NE ARG A 33 -10.903 -0.230 -0.958 1.00 0.00 N ATOM 455 CZ ARG A 33 -11.859 0.215 -0.150 1.00 0.00 C ATOM 456 NH1 ARG A 33 -11.624 0.352 1.148 1.00 0.00 N ATOM 457 NH2 ARG A 33 -13.053 0.525 -0.640 1.00 0.00 N ATOM 0 H ARG A 33 -6.185 -0.063 -4.218 1.00 0.00 H new ATOM 0 HA ARG A 33 -8.171 0.861 -3.858 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -7.074 0.919 -1.037 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -8.647 1.602 -1.398 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -9.019 -0.777 -2.570 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -7.760 -1.264 -1.452 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -9.582 -1.602 -0.091 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -9.263 0.075 0.305 1.00 0.00 H new ATOM 0 HE ARG A 33 -11.116 -0.323 -1.951 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -10.707 0.116 1.528 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -12.360 0.694 1.766 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -13.237 0.422 -1.638 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -13.786 0.867 -0.019 1.00 0.00 H new ATOM 471 N ASP A 34 -6.844 3.179 -4.428 1.00 0.00 N ATOM 472 CA ASP A 34 -6.680 4.605 -4.688 1.00 0.00 C ATOM 473 C ASP A 34 -5.861 5.268 -3.584 1.00 0.00 C ATOM 474 O ASP A 34 -6.165 6.382 -3.158 1.00 0.00 O ATOM 475 CB ASP A 34 -8.046 5.284 -4.805 1.00 0.00 C ATOM 476 CG ASP A 34 -8.899 4.682 -5.904 1.00 0.00 C ATOM 477 OD1 ASP A 34 -8.405 4.573 -7.046 1.00 0.00 O ATOM 478 OD2 ASP A 34 -10.060 4.321 -5.623 1.00 0.00 O ATOM 0 H ASP A 34 -6.565 2.575 -5.201 1.00 0.00 H new ATOM 0 HA ASP A 34 -6.145 4.718 -5.631 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -8.572 5.201 -3.854 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -7.905 6.347 -5.000 1.00 0.00 H new ATOM 483 N GLN A 35 -4.824 4.575 -3.127 1.00 0.00 N ATOM 484 CA GLN A 35 -3.963 5.096 -2.072 1.00 0.00 C ATOM 485 C GLN A 35 -2.552 4.530 -2.191 1.00 0.00 C ATOM 486 O GLN A 35 -2.352 3.359 -2.513 1.00 0.00 O ATOM 487 CB GLN A 35 -4.545 4.761 -0.697 1.00 0.00 C ATOM 488 CG GLN A 35 -5.823 5.520 -0.377 1.00 0.00 C ATOM 489 CD GLN A 35 -6.238 5.377 1.074 1.00 0.00 C ATOM 490 OE1 GLN A 35 -5.821 6.156 1.931 1.00 0.00 O ATOM 491 NE2 GLN A 35 -7.065 4.377 1.358 1.00 0.00 N ATOM 0 H GLN A 35 -4.559 3.652 -3.470 1.00 0.00 H new ATOM 0 HA GLN A 35 -3.911 6.179 -2.183 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -4.746 3.691 -0.647 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -3.800 4.982 0.067 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -5.682 6.576 -0.608 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -6.627 5.158 -1.018 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -7.386 3.755 0.616 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -7.379 4.232 2.318 1.00 0.00 H new ATOM 500 N PRO A 36 -1.549 5.380 -1.926 1.00 0.00 N ATOM 501 CA PRO A 36 -0.138 4.986 -1.997 1.00 0.00 C ATOM 502 C PRO A 36 0.252 4.024 -0.880 1.00 0.00 C ATOM 503 O PRO A 36 -0.033 4.270 0.291 1.00 0.00 O ATOM 504 CB PRO A 36 0.609 6.314 -1.844 1.00 0.00 C ATOM 505 CG PRO A 36 -0.333 7.194 -1.098 1.00 0.00 C ATOM 506 CD PRO A 36 -1.714 6.790 -1.537 1.00 0.00 C ATOM 0 HA PRO A 36 0.091 4.456 -2.921 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.544 6.182 -1.299 1.00 0.00 H new ATOM 0 HB3 PRO A 36 0.864 6.739 -2.815 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -0.214 7.070 -0.022 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -0.145 8.244 -1.320 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -2.441 6.902 -0.732 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -2.065 7.398 -2.371 1.00 0.00 H new ATOM 514 N TRP A 37 0.905 2.929 -1.251 1.00 0.00 N ATOM 515 CA TRP A 37 1.335 1.929 -0.280 1.00 0.00 C ATOM 516 C TRP A 37 2.792 1.543 -0.504 1.00 0.00 C ATOM 517 O TRP A 37 3.305 1.637 -1.620 1.00 0.00 O ATOM 518 CB TRP A 37 0.446 0.687 -0.368 1.00 0.00 C ATOM 519 CG TRP A 37 -0.829 0.813 0.410 1.00 0.00 C ATOM 520 CD1 TRP A 37 -1.873 1.651 0.143 1.00 0.00 C ATOM 521 CD2 TRP A 37 -1.192 0.077 1.584 1.00 0.00 C ATOM 522 NE1 TRP A 37 -2.864 1.481 1.080 1.00 0.00 N ATOM 523 CE2 TRP A 37 -2.471 0.521 1.974 1.00 0.00 C ATOM 524 CE3 TRP A 37 -0.563 -0.914 2.342 1.00 0.00 C ATOM 525 CZ2 TRP A 37 -3.129 0.008 3.089 1.00 0.00 C ATOM 526 CZ3 TRP A 37 -1.217 -1.422 3.448 1.00 0.00 C ATOM 527 CH2 TRP A 37 -2.489 -0.962 3.813 1.00 0.00 C ATOM 0 H TRP A 37 1.149 2.711 -2.217 1.00 0.00 H new ATOM 0 HA TRP A 37 1.243 2.363 0.716 1.00 0.00 H new ATOM 0 HB2 TRP A 37 0.208 0.493 -1.414 1.00 0.00 H new ATOM 0 HB3 TRP A 37 1.003 -0.176 -0.003 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -1.914 2.345 -0.683 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -3.749 1.988 1.105 1.00 0.00 H new ATOM 0 HE3 TRP A 37 0.417 -1.276 2.068 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -4.109 0.363 3.372 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -0.739 -2.187 4.042 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -2.974 -1.381 4.682 1.00 0.00 H new ATOM 538 N HIS A 38 3.456 1.108 0.562 1.00 0.00 N ATOM 539 CA HIS A 38 4.856 0.707 0.480 1.00 0.00 C ATOM 540 C HIS A 38 4.988 -0.681 -0.138 1.00 0.00 C ATOM 541 O HIS A 38 4.458 -1.660 0.390 1.00 0.00 O ATOM 542 CB HIS A 38 5.495 0.722 1.869 1.00 0.00 C ATOM 543 CG HIS A 38 6.146 2.026 2.215 1.00 0.00 C ATOM 544 ND1 HIS A 38 6.135 2.559 3.486 1.00 0.00 N ATOM 545 CD2 HIS A 38 6.833 2.903 1.447 1.00 0.00 C ATOM 546 CE1 HIS A 38 6.785 3.709 3.485 1.00 0.00 C ATOM 547 NE2 HIS A 38 7.219 3.941 2.259 1.00 0.00 N ATOM 0 H HIS A 38 3.047 1.024 1.493 1.00 0.00 H new ATOM 0 HA HIS A 38 5.376 1.421 -0.159 1.00 0.00 H new ATOM 0 HB2 HIS A 38 4.731 0.498 2.614 1.00 0.00 H new ATOM 0 HB3 HIS A 38 6.239 -0.073 1.926 1.00 0.00 H new ATOM 0 HD2 HIS A 38 7.039 2.805 0.391 1.00 0.00 H new ATOM 0 HE1 HIS A 38 6.936 4.350 4.341 1.00 0.00 H new ATOM 0 HE2 HIS A 38 7.754 4.758 1.964 1.00 0.00 H new ATOM 555 N ARG A 39 5.696 -0.759 -1.260 1.00 0.00 N ATOM 556 CA ARG A 39 5.896 -2.028 -1.951 1.00 0.00 C ATOM 557 C ARG A 39 6.082 -3.167 -0.953 1.00 0.00 C ATOM 558 O ARG A 39 5.556 -4.263 -1.143 1.00 0.00 O ATOM 559 CB ARG A 39 7.110 -1.942 -2.877 1.00 0.00 C ATOM 560 CG ARG A 39 7.002 -0.845 -3.924 1.00 0.00 C ATOM 561 CD ARG A 39 7.769 -1.203 -5.187 1.00 0.00 C ATOM 562 NE ARG A 39 9.208 -1.007 -5.028 1.00 0.00 N ATOM 563 CZ ARG A 39 10.054 -1.986 -4.728 1.00 0.00 C ATOM 564 NH1 ARG A 39 9.608 -3.223 -4.556 1.00 0.00 N ATOM 565 NH2 ARG A 39 11.350 -1.729 -4.600 1.00 0.00 N ATOM 0 H ARG A 39 6.141 0.041 -1.710 1.00 0.00 H new ATOM 0 HA ARG A 39 5.007 -2.233 -2.547 1.00 0.00 H new ATOM 0 HB2 ARG A 39 8.003 -1.772 -2.276 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.241 -2.900 -3.379 1.00 0.00 H new ATOM 0 HG2 ARG A 39 5.953 -0.677 -4.169 1.00 0.00 H new ATOM 0 HG3 ARG A 39 7.388 0.089 -3.515 1.00 0.00 H new ATOM 0 HD2 ARG A 39 7.572 -2.243 -5.449 1.00 0.00 H new ATOM 0 HD3 ARG A 39 7.409 -0.592 -6.015 1.00 0.00 H new ATOM 0 HE ARG A 39 9.583 -0.067 -5.154 1.00 0.00 H new ATOM 0 HH11 ARG A 39 8.613 -3.425 -4.654 1.00 0.00 H new ATOM 0 HH12 ARG A 39 10.260 -3.973 -4.326 1.00 0.00 H new ATOM 0 HH21 ARG A 39 11.697 -0.779 -4.732 1.00 0.00 H new ATOM 0 HH22 ARG A 39 11.999 -2.482 -4.370 1.00 0.00 H new ATOM 579 N GLU A 40 6.835 -2.899 0.109 1.00 0.00 N ATOM 580 CA GLU A 40 7.092 -3.903 1.135 1.00 0.00 C ATOM 581 C GLU A 40 5.865 -4.102 2.020 1.00 0.00 C ATOM 582 O GLU A 40 5.444 -5.231 2.272 1.00 0.00 O ATOM 583 CB GLU A 40 8.292 -3.493 1.992 1.00 0.00 C ATOM 584 CG GLU A 40 8.055 -2.234 2.808 1.00 0.00 C ATOM 585 CD GLU A 40 9.346 -1.570 3.245 1.00 0.00 C ATOM 586 OE1 GLU A 40 10.034 -0.983 2.384 1.00 0.00 O ATOM 587 OE2 GLU A 40 9.670 -1.639 4.450 1.00 0.00 O ATOM 0 H GLU A 40 7.277 -1.996 0.281 1.00 0.00 H new ATOM 0 HA GLU A 40 7.316 -4.846 0.637 1.00 0.00 H new ATOM 0 HB2 GLU A 40 8.542 -4.311 2.667 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.155 -3.339 1.344 1.00 0.00 H new ATOM 0 HG2 GLU A 40 7.469 -1.528 2.219 1.00 0.00 H new ATOM 0 HG3 GLU A 40 7.463 -2.482 3.689 1.00 0.00 H new ATOM 594 N CYS A 41 5.297 -2.997 2.491 1.00 0.00 N ATOM 595 CA CYS A 41 4.119 -3.048 3.349 1.00 0.00 C ATOM 596 C CYS A 41 2.981 -3.802 2.667 1.00 0.00 C ATOM 597 O CYS A 41 2.419 -4.743 3.230 1.00 0.00 O ATOM 598 CB CYS A 41 3.663 -1.633 3.709 1.00 0.00 C ATOM 599 SG CYS A 41 4.778 -0.762 4.857 1.00 0.00 S ATOM 0 H CYS A 41 5.634 -2.055 2.293 1.00 0.00 H new ATOM 0 HA CYS A 41 4.388 -3.580 4.262 1.00 0.00 H new ATOM 0 HB2 CYS A 41 3.572 -1.048 2.794 1.00 0.00 H new ATOM 0 HB3 CYS A 41 2.669 -1.685 4.154 1.00 0.00 H new ATOM 604 N LEU A 42 2.647 -3.384 1.451 1.00 0.00 N ATOM 605 CA LEU A 42 1.576 -4.020 0.691 1.00 0.00 C ATOM 606 C LEU A 42 1.739 -5.536 0.685 1.00 0.00 C ATOM 607 O LEU A 42 2.351 -6.102 -0.222 1.00 0.00 O ATOM 608 CB LEU A 42 1.560 -3.491 -0.745 1.00 0.00 C ATOM 609 CG LEU A 42 0.463 -4.048 -1.653 1.00 0.00 C ATOM 610 CD1 LEU A 42 -0.912 -3.673 -1.120 1.00 0.00 C ATOM 611 CD2 LEU A 42 0.641 -3.541 -3.076 1.00 0.00 C ATOM 0 H LEU A 42 3.102 -2.608 0.970 1.00 0.00 H new ATOM 0 HA LEU A 42 0.628 -3.777 1.172 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.459 -2.406 -0.710 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.526 -3.707 -1.201 1.00 0.00 H new ATOM 0 HG LEU A 42 0.543 -5.135 -1.663 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.680 -4.078 -1.779 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -1.039 -4.085 -0.119 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.003 -2.588 -1.080 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.148 -3.947 -3.708 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.588 -2.452 -3.084 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.611 -3.860 -3.457 1.00 0.00 H new ATOM 623 N VAL A 43 1.185 -6.190 1.701 1.00 0.00 N ATOM 624 CA VAL A 43 1.266 -7.641 1.812 1.00 0.00 C ATOM 625 C VAL A 43 -0.053 -8.230 2.298 1.00 0.00 C ATOM 626 O VAL A 43 -0.842 -7.552 2.957 1.00 0.00 O ATOM 627 CB VAL A 43 2.392 -8.070 2.772 1.00 0.00 C ATOM 628 CG1 VAL A 43 3.720 -7.466 2.341 1.00 0.00 C ATOM 629 CG2 VAL A 43 2.054 -7.670 4.200 1.00 0.00 C ATOM 0 H VAL A 43 0.675 -5.737 2.459 1.00 0.00 H new ATOM 0 HA VAL A 43 1.485 -8.022 0.814 1.00 0.00 H new ATOM 0 HB VAL A 43 2.485 -9.155 2.735 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.503 -7.780 3.031 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.965 -7.806 1.335 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.645 -6.379 2.348 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.860 -7.980 4.865 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.934 -6.588 4.256 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.126 -8.154 4.504 1.00 0.00 H new ATOM 639 N CYS A 44 -0.287 -9.496 1.970 1.00 0.00 N ATOM 640 CA CYS A 44 -1.511 -10.178 2.374 1.00 0.00 C ATOM 641 C CYS A 44 -1.782 -9.974 3.862 1.00 0.00 C ATOM 642 O CYS A 44 -0.874 -9.663 4.633 1.00 0.00 O ATOM 643 CB CYS A 44 -1.414 -11.672 2.061 1.00 0.00 C ATOM 644 SG CYS A 44 -2.984 -12.576 2.256 1.00 0.00 S ATOM 0 H CYS A 44 0.355 -10.071 1.425 1.00 0.00 H new ATOM 0 HA CYS A 44 -2.340 -9.749 1.810 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -1.061 -11.796 1.037 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -0.665 -12.121 2.713 1.00 0.00 H new ATOM 649 N THR A 45 -3.038 -10.153 4.259 1.00 0.00 N ATOM 650 CA THR A 45 -3.429 -9.989 5.653 1.00 0.00 C ATOM 651 C THR A 45 -3.435 -11.327 6.384 1.00 0.00 C ATOM 652 O THR A 45 -3.595 -11.379 7.602 1.00 0.00 O ATOM 653 CB THR A 45 -4.823 -9.345 5.773 1.00 0.00 C ATOM 654 OG1 THR A 45 -4.907 -8.196 4.924 1.00 0.00 O ATOM 655 CG2 THR A 45 -5.111 -8.942 7.211 1.00 0.00 C ATOM 0 H THR A 45 -3.802 -10.412 3.634 1.00 0.00 H new ATOM 0 HA THR A 45 -2.692 -9.331 6.113 1.00 0.00 H new ATOM 0 HB THR A 45 -5.566 -10.080 5.463 1.00 0.00 H new ATOM 0 HG1 THR A 45 -5.398 -7.484 5.385 1.00 0.00 H new ATOM 0 HG21 THR A 45 -6.101 -8.490 7.271 1.00 0.00 H new ATOM 0 HG22 THR A 45 -5.076 -9.824 7.850 1.00 0.00 H new ATOM 0 HG23 THR A 45 -4.363 -8.223 7.544 1.00 0.00 H new ATOM 663 N GLY A 46 -3.259 -12.408 5.630 1.00 0.00 N ATOM 664 CA GLY A 46 -3.247 -13.732 6.224 1.00 0.00 C ATOM 665 C GLY A 46 -1.862 -14.348 6.240 1.00 0.00 C ATOM 666 O GLY A 46 -1.356 -14.732 7.295 1.00 0.00 O ATOM 0 H GLY A 46 -3.125 -12.390 4.619 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.627 -13.673 7.244 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -3.924 -14.382 5.669 1.00 0.00 H new ATOM 670 N CYS A 47 -1.246 -14.446 5.066 1.00 0.00 N ATOM 671 CA CYS A 47 0.088 -15.022 4.947 1.00 0.00 C ATOM 672 C CYS A 47 1.156 -13.934 4.999 1.00 0.00 C ATOM 673 O CYS A 47 2.334 -14.218 5.214 1.00 0.00 O ATOM 674 CB CYS A 47 0.211 -15.812 3.643 1.00 0.00 C ATOM 675 SG CYS A 47 -0.111 -14.827 2.144 1.00 0.00 S ATOM 0 H CYS A 47 -1.650 -14.134 4.183 1.00 0.00 H new ATOM 0 HA CYS A 47 0.242 -15.698 5.788 1.00 0.00 H new ATOM 0 HB2 CYS A 47 1.214 -16.234 3.579 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -0.486 -16.650 3.671 1.00 0.00 H new ATOM 680 N GLN A 48 0.736 -12.689 4.799 1.00 0.00 N ATOM 681 CA GLN A 48 1.657 -11.559 4.823 1.00 0.00 C ATOM 682 C GLN A 48 2.636 -11.631 3.656 1.00 0.00 C ATOM 683 O GLN A 48 3.832 -11.385 3.819 1.00 0.00 O ATOM 684 CB GLN A 48 2.423 -11.525 6.146 1.00 0.00 C ATOM 685 CG GLN A 48 1.522 -11.460 7.369 1.00 0.00 C ATOM 686 CD GLN A 48 0.775 -10.145 7.474 1.00 0.00 C ATOM 687 OE1 GLN A 48 1.370 -9.071 7.388 1.00 0.00 O ATOM 688 NE2 GLN A 48 -0.538 -10.223 7.662 1.00 0.00 N ATOM 0 H GLN A 48 -0.236 -12.437 4.619 1.00 0.00 H new ATOM 0 HA GLN A 48 1.072 -10.644 4.728 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.052 -12.413 6.215 1.00 0.00 H new ATOM 0 HB3 GLN A 48 3.088 -10.662 6.149 1.00 0.00 H new ATOM 0 HG2 GLN A 48 0.804 -12.279 7.331 1.00 0.00 H new ATOM 0 HG3 GLN A 48 2.123 -11.605 8.267 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -0.991 -11.135 7.727 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -1.093 -9.371 7.741 1.00 0.00 H new ATOM 697 N THR A 49 2.122 -11.971 2.478 1.00 0.00 N ATOM 698 CA THR A 49 2.952 -12.077 1.284 1.00 0.00 C ATOM 699 C THR A 49 2.879 -10.804 0.449 1.00 0.00 C ATOM 700 O THR A 49 1.824 -10.185 0.307 1.00 0.00 O ATOM 701 CB THR A 49 2.530 -13.275 0.412 1.00 0.00 C ATOM 702 OG1 THR A 49 3.609 -13.658 -0.448 1.00 0.00 O ATOM 703 CG2 THR A 49 1.306 -12.932 -0.423 1.00 0.00 C ATOM 0 H THR A 49 1.135 -12.178 2.325 1.00 0.00 H new ATOM 0 HA THR A 49 3.977 -12.227 1.623 1.00 0.00 H new ATOM 0 HB THR A 49 2.279 -14.106 1.071 1.00 0.00 H new ATOM 0 HG1 THR A 49 3.334 -14.421 -0.998 1.00 0.00 H new ATOM 0 HG21 THR A 49 1.027 -13.793 -1.030 1.00 0.00 H new ATOM 0 HG22 THR A 49 0.478 -12.669 0.236 1.00 0.00 H new ATOM 0 HG23 THR A 49 1.534 -12.088 -1.074 1.00 0.00 H new ATOM 711 N PRO A 50 4.025 -10.402 -0.120 1.00 0.00 N ATOM 712 CA PRO A 50 4.116 -9.199 -0.953 1.00 0.00 C ATOM 713 C PRO A 50 3.397 -9.362 -2.288 1.00 0.00 C ATOM 714 O PRO A 50 3.825 -10.137 -3.144 1.00 0.00 O ATOM 715 CB PRO A 50 5.622 -9.033 -1.174 1.00 0.00 C ATOM 716 CG PRO A 50 6.180 -10.406 -1.020 1.00 0.00 C ATOM 717 CD PRO A 50 5.320 -11.091 0.006 1.00 0.00 C ATOM 0 HA PRO A 50 3.643 -8.339 -0.479 1.00 0.00 H new ATOM 0 HB2 PRO A 50 5.835 -8.628 -2.163 1.00 0.00 H new ATOM 0 HB3 PRO A 50 6.056 -8.345 -0.448 1.00 0.00 H new ATOM 0 HG2 PRO A 50 6.160 -10.944 -1.968 1.00 0.00 H new ATOM 0 HG3 PRO A 50 7.220 -10.370 -0.696 1.00 0.00 H new ATOM 0 HD2 PRO A 50 5.228 -12.158 -0.194 1.00 0.00 H new ATOM 0 HD3 PRO A 50 5.733 -10.989 1.009 1.00 0.00 H new ATOM 725 N LEU A 51 2.303 -8.628 -2.459 1.00 0.00 N ATOM 726 CA LEU A 51 1.524 -8.691 -3.691 1.00 0.00 C ATOM 727 C LEU A 51 2.029 -7.672 -4.707 1.00 0.00 C ATOM 728 O LEU A 51 1.377 -7.414 -5.719 1.00 0.00 O ATOM 729 CB LEU A 51 0.044 -8.444 -3.395 1.00 0.00 C ATOM 730 CG LEU A 51 -0.527 -9.167 -2.174 1.00 0.00 C ATOM 731 CD1 LEU A 51 -1.653 -8.356 -1.552 1.00 0.00 C ATOM 732 CD2 LEU A 51 -1.016 -10.556 -2.558 1.00 0.00 C ATOM 0 H LEU A 51 1.935 -7.982 -1.760 1.00 0.00 H new ATOM 0 HA LEU A 51 1.641 -9.688 -4.116 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.105 -7.373 -3.260 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.535 -8.739 -4.270 1.00 0.00 H new ATOM 0 HG LEU A 51 0.267 -9.274 -1.435 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.047 -8.886 -0.685 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.272 -7.383 -1.241 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.448 -8.217 -2.284 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.419 -11.056 -1.677 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.795 -10.471 -3.315 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.184 -11.137 -2.957 1.00 0.00 H new ATOM 744 N ALA A 52 3.194 -7.096 -4.431 1.00 0.00 N ATOM 745 CA ALA A 52 3.788 -6.108 -5.323 1.00 0.00 C ATOM 746 C ALA A 52 3.727 -6.571 -6.774 1.00 0.00 C ATOM 747 O ALA A 52 4.534 -7.392 -7.209 1.00 0.00 O ATOM 748 CB ALA A 52 5.228 -5.828 -4.916 1.00 0.00 C ATOM 0 H ALA A 52 3.745 -7.297 -3.597 1.00 0.00 H new ATOM 0 HA ALA A 52 3.212 -5.186 -5.239 1.00 0.00 H new ATOM 0 HB1 ALA A 52 5.660 -5.088 -5.591 1.00 0.00 H new ATOM 0 HB2 ALA A 52 5.250 -5.445 -3.896 1.00 0.00 H new ATOM 0 HB3 ALA A 52 5.807 -6.750 -4.970 1.00 0.00 H new ATOM 754 N GLY A 53 2.763 -6.040 -7.520 1.00 0.00 N ATOM 755 CA GLY A 53 2.614 -6.412 -8.915 1.00 0.00 C ATOM 756 C GLY A 53 2.145 -7.844 -9.086 1.00 0.00 C ATOM 757 O GLY A 53 2.551 -8.528 -10.024 1.00 0.00 O ATOM 0 H GLY A 53 2.083 -5.359 -7.183 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.901 -5.740 -9.393 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.568 -6.282 -9.427 1.00 0.00 H new ATOM 761 N GLN A 54 1.289 -8.297 -8.176 1.00 0.00 N ATOM 762 CA GLN A 54 0.767 -9.657 -8.230 1.00 0.00 C ATOM 763 C GLN A 54 -0.756 -9.653 -8.307 1.00 0.00 C ATOM 764 O GLN A 54 -1.406 -8.705 -7.869 1.00 0.00 O ATOM 765 CB GLN A 54 1.225 -10.451 -7.005 1.00 0.00 C ATOM 766 CG GLN A 54 0.507 -11.781 -6.839 1.00 0.00 C ATOM 767 CD GLN A 54 1.315 -12.783 -6.037 1.00 0.00 C ATOM 768 OE1 GLN A 54 1.011 -12.894 -4.749 1.00 0.00 O flip ATOM 769 NE2 GLN A 54 2.202 -13.451 -6.570 1.00 0.00 N flip ATOM 0 H GLN A 54 0.943 -7.743 -7.393 1.00 0.00 H new ATOM 0 HA GLN A 54 1.157 -10.133 -9.130 1.00 0.00 H new ATOM 0 HB2 GLN A 54 2.297 -10.633 -7.080 1.00 0.00 H new ATOM 0 HB3 GLN A 54 1.066 -9.848 -6.111 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -0.451 -11.614 -6.346 1.00 0.00 H new ATOM 0 HG3 GLN A 54 0.290 -12.198 -7.822 1.00 0.00 H new ATOM 0 HE21 GLN A 54 2.402 -13.333 -7.563 1.00 0.00 H new ATOM 0 HE22 GLN A 54 2.736 -14.122 -6.018 1.00 0.00 H new ATOM 778 N GLN A 55 -1.318 -10.720 -8.867 1.00 0.00 N ATOM 779 CA GLN A 55 -2.765 -10.837 -9.003 1.00 0.00 C ATOM 780 C GLN A 55 -3.409 -11.201 -7.669 1.00 0.00 C ATOM 781 O GLN A 55 -3.222 -12.305 -7.158 1.00 0.00 O ATOM 782 CB GLN A 55 -3.116 -11.890 -10.055 1.00 0.00 C ATOM 783 CG GLN A 55 -4.482 -11.684 -10.690 1.00 0.00 C ATOM 784 CD GLN A 55 -4.823 -12.759 -11.703 1.00 0.00 C ATOM 785 OE1 GLN A 55 -4.479 -12.651 -12.880 1.00 0.00 O ATOM 786 NE2 GLN A 55 -5.503 -13.806 -11.250 1.00 0.00 N ATOM 0 H GLN A 55 -0.794 -11.515 -9.233 1.00 0.00 H new ATOM 0 HA GLN A 55 -3.154 -9.870 -9.323 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -2.356 -11.878 -10.836 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -3.084 -12.877 -9.594 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -5.243 -11.671 -9.910 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -4.509 -10.709 -11.177 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -5.768 -13.855 -10.266 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -5.760 -14.561 -11.886 1.00 0.00 H new ATOM 795 N PHE A 56 -4.168 -10.264 -7.109 1.00 0.00 N ATOM 796 CA PHE A 56 -4.838 -10.485 -5.833 1.00 0.00 C ATOM 797 C PHE A 56 -6.161 -9.727 -5.775 1.00 0.00 C ATOM 798 O PHE A 56 -6.541 -9.042 -6.726 1.00 0.00 O ATOM 799 CB PHE A 56 -3.936 -10.049 -4.676 1.00 0.00 C ATOM 800 CG PHE A 56 -3.743 -8.562 -4.595 1.00 0.00 C ATOM 801 CD1 PHE A 56 -4.649 -7.769 -3.910 1.00 0.00 C ATOM 802 CD2 PHE A 56 -2.654 -7.957 -5.202 1.00 0.00 C ATOM 803 CE1 PHE A 56 -4.474 -6.400 -3.834 1.00 0.00 C ATOM 804 CE2 PHE A 56 -2.474 -6.589 -5.130 1.00 0.00 C ATOM 805 CZ PHE A 56 -3.384 -5.809 -4.444 1.00 0.00 C ATOM 0 H PHE A 56 -4.334 -9.345 -7.519 1.00 0.00 H new ATOM 0 HA PHE A 56 -5.046 -11.551 -5.740 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -4.364 -10.404 -3.738 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -2.963 -10.528 -4.784 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -5.502 -8.226 -3.430 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -1.937 -8.562 -5.738 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -5.189 -5.793 -3.298 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -1.622 -6.130 -5.610 1.00 0.00 H new ATOM 0 HZ PHE A 56 -3.244 -4.740 -4.384 1.00 0.00 H new ATOM 815 N THR A 57 -6.860 -9.853 -4.652 1.00 0.00 N ATOM 816 CA THR A 57 -8.141 -9.182 -4.469 1.00 0.00 C ATOM 817 C THR A 57 -8.248 -8.571 -3.076 1.00 0.00 C ATOM 818 O THR A 57 -7.510 -8.947 -2.165 1.00 0.00 O ATOM 819 CB THR A 57 -9.319 -10.151 -4.684 1.00 0.00 C ATOM 820 OG1 THR A 57 -10.560 -9.464 -4.492 1.00 0.00 O ATOM 821 CG2 THR A 57 -9.232 -11.329 -3.726 1.00 0.00 C ATOM 0 H THR A 57 -6.560 -10.414 -3.855 1.00 0.00 H new ATOM 0 HA THR A 57 -8.192 -8.389 -5.215 1.00 0.00 H new ATOM 0 HB THR A 57 -9.268 -10.529 -5.705 1.00 0.00 H new ATOM 0 HG1 THR A 57 -11.304 -10.087 -4.632 1.00 0.00 H new ATOM 0 HG21 THR A 57 -10.074 -12.000 -3.896 1.00 0.00 H new ATOM 0 HG22 THR A 57 -8.299 -11.867 -3.895 1.00 0.00 H new ATOM 0 HG23 THR A 57 -9.260 -10.965 -2.699 1.00 0.00 H new ATOM 829 N SER A 58 -9.172 -7.629 -2.918 1.00 0.00 N ATOM 830 CA SER A 58 -9.373 -6.964 -1.636 1.00 0.00 C ATOM 831 C SER A 58 -10.714 -7.357 -1.024 1.00 0.00 C ATOM 832 O SER A 58 -11.711 -7.508 -1.731 1.00 0.00 O ATOM 833 CB SER A 58 -9.305 -5.445 -1.808 1.00 0.00 C ATOM 834 OG SER A 58 -8.181 -5.071 -2.587 1.00 0.00 O ATOM 0 H SER A 58 -9.793 -7.309 -3.661 1.00 0.00 H new ATOM 0 HA SER A 58 -8.578 -7.282 -0.962 1.00 0.00 H new ATOM 0 HB2 SER A 58 -10.218 -5.088 -2.286 1.00 0.00 H new ATOM 0 HB3 SER A 58 -9.249 -4.967 -0.830 1.00 0.00 H new ATOM 0 HG SER A 58 -8.068 -4.098 -2.552 1.00 0.00 H new ATOM 840 N ARG A 59 -10.731 -7.522 0.294 1.00 0.00 N ATOM 841 CA ARG A 59 -11.949 -7.899 1.002 1.00 0.00 C ATOM 842 C ARG A 59 -12.067 -7.141 2.321 1.00 0.00 C ATOM 843 O ARG A 59 -11.095 -7.013 3.065 1.00 0.00 O ATOM 844 CB ARG A 59 -11.966 -9.406 1.264 1.00 0.00 C ATOM 845 CG ARG A 59 -13.364 -9.998 1.323 1.00 0.00 C ATOM 846 CD ARG A 59 -13.837 -10.450 -0.050 1.00 0.00 C ATOM 847 NE ARG A 59 -14.127 -9.320 -0.929 1.00 0.00 N ATOM 848 CZ ARG A 59 -15.151 -8.494 -0.749 1.00 0.00 C ATOM 849 NH1 ARG A 59 -15.979 -8.670 0.272 1.00 0.00 N ATOM 850 NH2 ARG A 59 -15.349 -7.488 -1.592 1.00 0.00 N ATOM 0 H ARG A 59 -9.915 -7.401 0.894 1.00 0.00 H new ATOM 0 HA ARG A 59 -12.801 -7.637 0.374 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -11.400 -9.909 0.480 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -11.455 -9.608 2.205 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -13.373 -10.845 2.009 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -14.057 -9.257 1.722 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -13.073 -11.078 -0.508 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -14.731 -11.064 0.059 1.00 0.00 H new ATOM 0 HE ARG A 59 -13.509 -9.157 -1.724 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -15.830 -9.442 0.922 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -16.765 -8.034 0.407 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -14.714 -7.349 -2.378 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -16.136 -6.854 -1.453 1.00 0.00 H new ATOM 864 N ASP A 60 -13.265 -6.641 2.604 1.00 0.00 N ATOM 865 CA ASP A 60 -13.512 -5.896 3.834 1.00 0.00 C ATOM 866 C ASP A 60 -12.404 -4.878 4.084 1.00 0.00 C ATOM 867 O ASP A 60 -11.945 -4.712 5.213 1.00 0.00 O ATOM 868 CB ASP A 60 -13.619 -6.853 5.022 1.00 0.00 C ATOM 869 CG ASP A 60 -14.828 -7.763 4.925 1.00 0.00 C ATOM 870 OD1 ASP A 60 -15.861 -7.321 4.379 1.00 0.00 O ATOM 871 OD2 ASP A 60 -14.742 -8.916 5.395 1.00 0.00 O ATOM 0 H ASP A 60 -14.080 -6.738 1.999 1.00 0.00 H new ATOM 0 HA ASP A 60 -14.455 -5.361 3.722 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -12.715 -7.459 5.079 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -13.675 -6.277 5.945 1.00 0.00 H new ATOM 876 N GLU A 61 -11.980 -4.200 3.022 1.00 0.00 N ATOM 877 CA GLU A 61 -10.924 -3.199 3.127 1.00 0.00 C ATOM 878 C GLU A 61 -9.610 -3.839 3.565 1.00 0.00 C ATOM 879 O GLU A 61 -8.908 -3.311 4.429 1.00 0.00 O ATOM 880 CB GLU A 61 -11.326 -2.104 4.117 1.00 0.00 C ATOM 881 CG GLU A 61 -12.656 -1.446 3.789 1.00 0.00 C ATOM 882 CD GLU A 61 -12.720 -0.001 4.246 1.00 0.00 C ATOM 883 OE1 GLU A 61 -11.653 0.642 4.330 1.00 0.00 O ATOM 884 OE2 GLU A 61 -13.837 0.486 4.519 1.00 0.00 O ATOM 0 H GLU A 61 -12.351 -4.325 2.080 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.781 -2.754 2.142 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -11.379 -2.532 5.118 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -10.548 -1.341 4.138 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -12.824 -1.491 2.713 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -13.462 -2.009 4.261 1.00 0.00 H new ATOM 891 N ASP A 62 -9.284 -4.978 2.964 1.00 0.00 N ATOM 892 CA ASP A 62 -8.054 -5.690 3.292 1.00 0.00 C ATOM 893 C ASP A 62 -7.555 -6.492 2.093 1.00 0.00 C ATOM 894 O ASP A 62 -8.268 -7.323 1.531 1.00 0.00 O ATOM 895 CB ASP A 62 -8.280 -6.620 4.485 1.00 0.00 C ATOM 896 CG ASP A 62 -8.375 -5.865 5.796 1.00 0.00 C ATOM 897 OD1 ASP A 62 -7.439 -5.101 6.112 1.00 0.00 O ATOM 898 OD2 ASP A 62 -9.387 -6.039 6.507 1.00 0.00 O ATOM 0 H ASP A 62 -9.854 -5.428 2.248 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.295 -4.953 3.555 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -9.196 -7.190 4.330 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.463 -7.339 4.541 1.00 0.00 H new ATOM 903 N PRO A 63 -6.301 -6.237 1.691 1.00 0.00 N ATOM 904 CA PRO A 63 -5.679 -6.924 0.555 1.00 0.00 C ATOM 905 C PRO A 63 -5.390 -8.391 0.853 1.00 0.00 C ATOM 906 O PRO A 63 -4.590 -8.710 1.733 1.00 0.00 O ATOM 907 CB PRO A 63 -4.374 -6.153 0.346 1.00 0.00 C ATOM 908 CG PRO A 63 -4.065 -5.561 1.678 1.00 0.00 C ATOM 909 CD PRO A 63 -5.394 -5.259 2.314 1.00 0.00 C ATOM 0 HA PRO A 63 -6.328 -6.935 -0.321 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -3.574 -6.813 0.011 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -4.489 -5.380 -0.414 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -3.488 -6.255 2.289 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -3.467 -4.655 1.574 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -5.357 -5.378 3.397 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -5.710 -4.235 2.116 1.00 0.00 H new ATOM 917 N TYR A 64 -6.045 -9.280 0.115 1.00 0.00 N ATOM 918 CA TYR A 64 -5.859 -10.714 0.302 1.00 0.00 C ATOM 919 C TYR A 64 -5.365 -11.371 -0.983 1.00 0.00 C ATOM 920 O TYR A 64 -5.901 -11.130 -2.065 1.00 0.00 O ATOM 921 CB TYR A 64 -7.169 -11.365 0.750 1.00 0.00 C ATOM 922 CG TYR A 64 -7.530 -11.072 2.188 1.00 0.00 C ATOM 923 CD1 TYR A 64 -6.882 -11.718 3.234 1.00 0.00 C ATOM 924 CD2 TYR A 64 -8.520 -10.149 2.502 1.00 0.00 C ATOM 925 CE1 TYR A 64 -7.209 -11.454 4.549 1.00 0.00 C ATOM 926 CE2 TYR A 64 -8.853 -9.877 3.815 1.00 0.00 C ATOM 927 CZ TYR A 64 -8.195 -10.533 4.835 1.00 0.00 C ATOM 928 OH TYR A 64 -8.523 -10.266 6.145 1.00 0.00 O ATOM 0 H TYR A 64 -6.710 -9.033 -0.618 1.00 0.00 H new ATOM 0 HA TYR A 64 -5.105 -10.859 1.076 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -7.976 -11.019 0.104 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -7.093 -12.444 0.616 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -6.109 -12.439 3.014 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -9.038 -9.635 1.706 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -6.696 -11.966 5.349 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -9.624 -9.155 4.042 1.00 0.00 H new ATOM 0 HH TYR A 64 -9.235 -9.593 6.173 1.00 0.00 H new ATOM 938 N CYS A 65 -4.338 -12.205 -0.856 1.00 0.00 N ATOM 939 CA CYS A 65 -3.769 -12.899 -2.005 1.00 0.00 C ATOM 940 C CYS A 65 -4.675 -14.041 -2.454 1.00 0.00 C ATOM 941 O CYS A 65 -5.422 -14.607 -1.656 1.00 0.00 O ATOM 942 CB CYS A 65 -2.379 -13.441 -1.663 1.00 0.00 C ATOM 943 SG CYS A 65 -2.397 -15.056 -0.822 1.00 0.00 S ATOM 0 H CYS A 65 -3.883 -12.417 0.032 1.00 0.00 H new ATOM 0 HA CYS A 65 -3.682 -12.184 -2.823 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -1.799 -13.528 -2.582 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -1.865 -12.719 -1.029 1.00 0.00 H new ATOM 948 N VAL A 66 -4.605 -14.374 -3.739 1.00 0.00 N ATOM 949 CA VAL A 66 -5.417 -15.449 -4.296 1.00 0.00 C ATOM 950 C VAL A 66 -5.349 -16.698 -3.424 1.00 0.00 C ATOM 951 O VAL A 66 -6.270 -17.514 -3.418 1.00 0.00 O ATOM 952 CB VAL A 66 -4.969 -15.809 -5.725 1.00 0.00 C ATOM 953 CG1 VAL A 66 -5.825 -16.936 -6.285 1.00 0.00 C ATOM 954 CG2 VAL A 66 -5.029 -14.585 -6.626 1.00 0.00 C ATOM 0 H VAL A 66 -3.994 -13.914 -4.414 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.444 -15.086 -4.326 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.936 -16.154 -5.687 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -5.494 -17.177 -7.295 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -5.726 -17.817 -5.651 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -6.869 -16.622 -6.310 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -4.709 -14.858 -7.632 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -6.051 -14.208 -6.660 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.370 -13.811 -6.233 1.00 0.00 H new ATOM 964 N ALA A 67 -4.252 -16.840 -2.688 1.00 0.00 N ATOM 965 CA ALA A 67 -4.064 -17.988 -1.809 1.00 0.00 C ATOM 966 C ALA A 67 -5.001 -17.919 -0.608 1.00 0.00 C ATOM 967 O ALA A 67 -5.572 -18.928 -0.194 1.00 0.00 O ATOM 968 CB ALA A 67 -2.616 -18.068 -1.348 1.00 0.00 C ATOM 0 H ALA A 67 -3.479 -16.174 -2.683 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.305 -18.889 -2.373 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -2.490 -18.930 -0.692 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -1.963 -18.173 -2.215 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.356 -17.159 -0.806 1.00 0.00 H new ATOM 974 N CYS A 68 -5.154 -16.722 -0.051 1.00 0.00 N ATOM 975 CA CYS A 68 -6.021 -16.521 1.104 1.00 0.00 C ATOM 976 C CYS A 68 -7.470 -16.319 0.668 1.00 0.00 C ATOM 977 O CYS A 68 -8.389 -16.901 1.244 1.00 0.00 O ATOM 978 CB CYS A 68 -5.549 -15.315 1.918 1.00 0.00 C ATOM 979 SG CYS A 68 -3.991 -15.591 2.820 1.00 0.00 S ATOM 0 H CYS A 68 -4.689 -15.876 -0.381 1.00 0.00 H new ATOM 0 HA CYS A 68 -5.969 -17.414 1.726 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -5.423 -14.465 1.248 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -6.327 -15.045 2.632 1.00 0.00 H new ATOM 984 N PHE A 69 -7.665 -15.491 -0.352 1.00 0.00 N ATOM 985 CA PHE A 69 -9.001 -15.211 -0.865 1.00 0.00 C ATOM 986 C PHE A 69 -9.790 -16.502 -1.059 1.00 0.00 C ATOM 987 O PHE A 69 -10.944 -16.606 -0.645 1.00 0.00 O ATOM 988 CB PHE A 69 -8.912 -14.450 -2.190 1.00 0.00 C ATOM 989 CG PHE A 69 -10.248 -14.210 -2.833 1.00 0.00 C ATOM 990 CD1 PHE A 69 -11.142 -13.304 -2.286 1.00 0.00 C ATOM 991 CD2 PHE A 69 -10.610 -14.890 -3.985 1.00 0.00 C ATOM 992 CE1 PHE A 69 -12.372 -13.080 -2.876 1.00 0.00 C ATOM 993 CE2 PHE A 69 -11.838 -14.670 -4.579 1.00 0.00 C ATOM 994 CZ PHE A 69 -12.721 -13.765 -4.024 1.00 0.00 C ATOM 0 H PHE A 69 -6.915 -15.002 -0.840 1.00 0.00 H new ATOM 0 HA PHE A 69 -9.522 -14.594 -0.134 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -8.423 -13.491 -2.017 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -8.281 -15.010 -2.880 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -10.875 -12.766 -1.388 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -9.924 -15.600 -4.424 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -13.059 -12.370 -2.440 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -12.107 -15.206 -5.477 1.00 0.00 H new ATOM 0 HZ PHE A 69 -13.682 -13.593 -4.486 1.00 0.00 H new ATOM 1004 N GLY A 70 -9.159 -17.486 -1.694 1.00 0.00 N ATOM 1005 CA GLY A 70 -9.816 -18.757 -1.933 1.00 0.00 C ATOM 1006 C GLY A 70 -9.514 -19.778 -0.854 1.00 0.00 C ATOM 1007 O GLY A 70 -9.519 -20.981 -1.111 1.00 0.00 O ATOM 0 H GLY A 70 -8.204 -17.425 -2.047 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -10.893 -18.601 -1.990 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -9.500 -19.150 -2.899 1.00 0.00 H new ATOM 1011 N GLU A 71 -9.249 -19.297 0.357 1.00 0.00 N ATOM 1012 CA GLU A 71 -8.940 -20.178 1.477 1.00 0.00 C ATOM 1013 C GLU A 71 -9.700 -19.751 2.730 1.00 0.00 C ATOM 1014 O GLU A 71 -10.118 -20.588 3.531 1.00 0.00 O ATOM 1015 CB GLU A 71 -7.436 -20.178 1.755 1.00 0.00 C ATOM 1016 CG GLU A 71 -6.669 -21.221 0.959 1.00 0.00 C ATOM 1017 CD GLU A 71 -7.160 -22.632 1.222 1.00 0.00 C ATOM 1018 OE1 GLU A 71 -8.135 -23.053 0.566 1.00 0.00 O ATOM 1019 OE2 GLU A 71 -6.568 -23.314 2.085 1.00 0.00 O ATOM 0 H GLU A 71 -9.242 -18.303 0.587 1.00 0.00 H new ATOM 0 HA GLU A 71 -9.252 -21.187 1.209 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -7.033 -19.191 1.527 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -7.272 -20.352 2.818 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -6.760 -21.001 -0.105 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -5.610 -21.156 1.208 1.00 0.00 H new ATOM 1026 N LEU A 72 -9.874 -18.444 2.892 1.00 0.00 N ATOM 1027 CA LEU A 72 -10.583 -17.905 4.047 1.00 0.00 C ATOM 1028 C LEU A 72 -12.077 -17.787 3.763 1.00 0.00 C ATOM 1029 O LEU A 72 -12.901 -18.387 4.454 1.00 0.00 O ATOM 1030 CB LEU A 72 -10.015 -16.536 4.426 1.00 0.00 C ATOM 1031 CG LEU A 72 -8.691 -16.547 5.190 1.00 0.00 C ATOM 1032 CD1 LEU A 72 -7.566 -17.056 4.302 1.00 0.00 C ATOM 1033 CD2 LEU A 72 -8.368 -15.156 5.718 1.00 0.00 C ATOM 0 H LEU A 72 -9.534 -17.738 2.239 1.00 0.00 H new ATOM 0 HA LEU A 72 -10.444 -18.593 4.881 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -9.880 -15.956 3.513 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -10.756 -16.012 5.030 1.00 0.00 H new ATOM 0 HG LEU A 72 -8.790 -17.223 6.039 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -6.632 -17.057 4.863 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.793 -18.070 3.973 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.467 -16.406 3.432 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -7.422 -15.183 6.259 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -8.289 -14.459 4.883 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -9.161 -14.829 6.390 1.00 0.00 H new ATOM 1045 N PHE A 73 -12.420 -17.012 2.740 1.00 0.00 N ATOM 1046 CA PHE A 73 -13.815 -16.816 2.363 1.00 0.00 C ATOM 1047 C PHE A 73 -14.336 -18.009 1.567 1.00 0.00 C ATOM 1048 O PHE A 73 -15.451 -18.479 1.790 1.00 0.00 O ATOM 1049 CB PHE A 73 -13.969 -15.534 1.542 1.00 0.00 C ATOM 1050 CG PHE A 73 -13.167 -14.381 2.074 1.00 0.00 C ATOM 1051 CD1 PHE A 73 -13.536 -13.748 3.250 1.00 0.00 C ATOM 1052 CD2 PHE A 73 -12.044 -13.931 1.399 1.00 0.00 C ATOM 1053 CE1 PHE A 73 -12.800 -12.687 3.742 1.00 0.00 C ATOM 1054 CE2 PHE A 73 -11.304 -12.870 1.886 1.00 0.00 C ATOM 1055 CZ PHE A 73 -11.682 -12.248 3.059 1.00 0.00 C ATOM 0 H PHE A 73 -11.751 -16.509 2.157 1.00 0.00 H new ATOM 0 HA PHE A 73 -14.403 -16.726 3.277 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -13.667 -15.732 0.514 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -15.022 -15.253 1.517 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -14.409 -14.088 3.788 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -11.743 -14.415 0.482 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -13.098 -12.201 4.659 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -10.431 -12.528 1.350 1.00 0.00 H new ATOM 0 HZ PHE A 73 -11.105 -11.420 3.442 1.00 0.00 H new ATOM 1065 N ALA A 74 -13.520 -18.494 0.637 1.00 0.00 N ATOM 1066 CA ALA A 74 -13.896 -19.632 -0.192 1.00 0.00 C ATOM 1067 C ALA A 74 -13.866 -20.929 0.611 1.00 0.00 C ATOM 1068 O ALA A 74 -13.123 -21.051 1.584 1.00 0.00 O ATOM 1069 CB ALA A 74 -12.975 -19.735 -1.398 1.00 0.00 C ATOM 0 H ALA A 74 -12.594 -18.116 0.439 1.00 0.00 H new ATOM 0 HA ALA A 74 -14.916 -19.474 -0.541 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -13.268 -20.590 -2.008 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -13.049 -18.824 -1.991 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -11.947 -19.866 -1.061 1.00 0.00 H new ATOM 1075 N SER A 75 -14.679 -21.895 0.196 1.00 0.00 N ATOM 1076 CA SER A 75 -14.749 -23.181 0.879 1.00 0.00 C ATOM 1077 C SER A 75 -14.552 -24.330 -0.105 1.00 0.00 C ATOM 1078 O SER A 75 -14.430 -24.116 -1.310 1.00 0.00 O ATOM 1079 CB SER A 75 -16.094 -23.331 1.593 1.00 0.00 C ATOM 1080 OG SER A 75 -16.029 -22.825 2.915 1.00 0.00 O ATOM 0 H SER A 75 -15.298 -21.811 -0.610 1.00 0.00 H new ATOM 0 HA SER A 75 -13.948 -23.216 1.617 1.00 0.00 H new ATOM 0 HB2 SER A 75 -16.866 -22.801 1.035 1.00 0.00 H new ATOM 0 HB3 SER A 75 -16.382 -24.382 1.616 1.00 0.00 H new ATOM 0 HG SER A 75 -16.901 -22.931 3.349 1.00 0.00 H new ATOM 1086 N GLY A 76 -14.521 -25.552 0.420 1.00 0.00 N ATOM 1087 CA GLY A 76 -14.338 -26.718 -0.425 1.00 0.00 C ATOM 1088 C GLY A 76 -13.253 -26.516 -1.465 1.00 0.00 C ATOM 1089 O GLY A 76 -12.098 -26.238 -1.142 1.00 0.00 O ATOM 0 H GLY A 76 -14.619 -25.755 1.415 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -14.086 -27.577 0.196 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -15.278 -26.951 -0.925 1.00 0.00 H new ATOM 1093 N PRO A 77 -13.622 -26.659 -2.746 1.00 0.00 N ATOM 1094 CA PRO A 77 -12.686 -26.496 -3.862 1.00 0.00 C ATOM 1095 C PRO A 77 -12.251 -25.046 -4.047 1.00 0.00 C ATOM 1096 O PRO A 77 -12.842 -24.132 -3.471 1.00 0.00 O ATOM 1097 CB PRO A 77 -13.493 -26.971 -5.074 1.00 0.00 C ATOM 1098 CG PRO A 77 -14.916 -26.758 -4.689 1.00 0.00 C ATOM 1099 CD PRO A 77 -14.982 -26.990 -3.204 1.00 0.00 C ATOM 0 HA PRO A 77 -11.762 -27.052 -3.703 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -13.236 -26.403 -5.968 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -13.295 -28.020 -5.295 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -15.242 -25.749 -4.941 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -15.572 -27.447 -5.221 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -15.731 -26.355 -2.731 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -15.245 -28.022 -2.970 1.00 0.00 H new ATOM 1107 N SER A 78 -11.215 -24.842 -4.854 1.00 0.00 N ATOM 1108 CA SER A 78 -10.699 -23.503 -5.112 1.00 0.00 C ATOM 1109 C SER A 78 -11.687 -22.690 -5.943 1.00 0.00 C ATOM 1110 O SER A 78 -11.783 -22.863 -7.158 1.00 0.00 O ATOM 1111 CB SER A 78 -9.352 -23.583 -5.835 1.00 0.00 C ATOM 1112 OG SER A 78 -8.289 -23.761 -4.915 1.00 0.00 O ATOM 0 H SER A 78 -10.716 -25.587 -5.340 1.00 0.00 H new ATOM 0 HA SER A 78 -10.560 -23.003 -4.153 1.00 0.00 H new ATOM 0 HB2 SER A 78 -9.365 -24.410 -6.545 1.00 0.00 H new ATOM 0 HB3 SER A 78 -9.190 -22.672 -6.411 1.00 0.00 H new ATOM 0 HG SER A 78 -7.440 -23.811 -5.402 1.00 0.00 H new ATOM 1118 N SER A 79 -12.420 -21.803 -5.278 1.00 0.00 N ATOM 1119 CA SER A 79 -13.405 -20.966 -5.953 1.00 0.00 C ATOM 1120 C SER A 79 -12.873 -19.548 -6.143 1.00 0.00 C ATOM 1121 O SER A 79 -13.101 -18.671 -5.310 1.00 0.00 O ATOM 1122 CB SER A 79 -14.709 -20.931 -5.154 1.00 0.00 C ATOM 1123 OG SER A 79 -15.392 -22.170 -5.238 1.00 0.00 O ATOM 0 H SER A 79 -12.350 -21.645 -4.273 1.00 0.00 H new ATOM 0 HA SER A 79 -13.601 -21.397 -6.935 1.00 0.00 H new ATOM 0 HB2 SER A 79 -14.494 -20.701 -4.111 1.00 0.00 H new ATOM 0 HB3 SER A 79 -15.349 -20.133 -5.531 1.00 0.00 H new ATOM 0 HG SER A 79 -16.221 -22.122 -4.718 1.00 0.00 H new ATOM 1129 N GLY A 80 -12.163 -19.332 -7.245 1.00 0.00 N ATOM 1130 CA GLY A 80 -11.609 -18.020 -7.526 1.00 0.00 C ATOM 1131 C GLY A 80 -12.675 -17.010 -7.905 1.00 0.00 C ATOM 1132 O GLY A 80 -12.551 -15.843 -7.537 1.00 0.00 O ATOM 0 H GLY A 80 -11.961 -20.042 -7.949 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -11.068 -17.662 -6.650 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -10.885 -18.101 -8.336 1.00 0.00 H new TER 1136 GLY A 80 HETATM 1137 ZN ZN A 201 4.593 1.534 4.972 1.00 0.00 ZN HETATM 1138 ZN ZN A 401 -2.328 -14.721 1.474 1.00 0.00 ZN