USER MOD reduce.3.24.130724 H: found=0, std=0, add=528, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 524 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 35 HIS HE2 : A 35 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD NoAdj-H: A 61 HIS HE2 : A 61 HIS NE2 : A 601 ZNZN :(H bumps) USER MOD Set 1.1: A 21 GLN : amide:sc= -8.06! C(o=-14!,f=-23!) USER MOD Set 1.2: A 22 HIS : no HD1:sc= -5.5! C(o=-14!,f=-13!) 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 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 HIS :FLIP no HD1:sc= -0.181 F(o=-0.84,f=-0.18) USER MOD Single : A 11 THR OG1 : rot 42:sc= 0.53 USER MOD Single : A 13 CYS SG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 163:sc= -0.0392 (180deg=-0.296) USER MOD Single : A 33 LYS NZ :NH3+ -160:sc= 1.27 (180deg=0.72) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot -160:sc= -0.483 USER MOD Single : A 48 ASN :FLIP amide:sc= 0.989 F(o=-0.064,f=0.99) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 56 LYS NZ :NH3+ -179:sc= 0.00625 (180deg=0.0024) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.574 1.037 14.280 1.00 0.00 N ATOM 2 CA GLY A 1 -7.234 0.593 13.944 1.00 0.00 C ATOM 3 C GLY A 1 -6.524 -0.051 15.118 1.00 0.00 C ATOM 4 O GLY A 1 -6.369 -1.271 15.165 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.016 1.470 13.444 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.142 0.223 14.590 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.525 1.737 15.047 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.287 -0.119 13.120 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.650 1.444 13.593 1.00 0.00 H new ATOM 8 N SER A 2 -6.091 0.771 16.069 1.00 0.00 N ATOM 9 CA SER A 2 -5.389 0.274 17.247 1.00 0.00 C ATOM 10 C SER A 2 -6.375 -0.102 18.349 1.00 0.00 C ATOM 11 O SER A 2 -6.337 -1.212 18.878 1.00 0.00 O ATOM 12 CB SER A 2 -4.407 1.328 17.763 1.00 0.00 C ATOM 13 OG SER A 2 -3.841 0.934 19.001 1.00 0.00 O ATOM 0 H SER A 2 -6.214 1.783 16.047 1.00 0.00 H new ATOM 0 HA SER A 2 -4.835 -0.620 16.960 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.615 1.482 17.030 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.921 2.282 17.882 1.00 0.00 H new ATOM 0 HG SER A 2 -3.216 1.623 19.309 1.00 0.00 H new ATOM 19 N SER A 3 -7.256 0.833 18.689 1.00 0.00 N ATOM 20 CA SER A 3 -8.251 0.603 19.731 1.00 0.00 C ATOM 21 C SER A 3 -9.639 1.021 19.258 1.00 0.00 C ATOM 22 O SER A 3 -9.799 1.559 18.163 1.00 0.00 O ATOM 23 CB SER A 3 -7.878 1.371 21.000 1.00 0.00 C ATOM 24 OG SER A 3 -6.859 0.701 21.722 1.00 0.00 O ATOM 0 H SER A 3 -7.302 1.757 18.259 1.00 0.00 H new ATOM 0 HA SER A 3 -8.269 -0.464 19.953 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.542 2.374 20.736 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.759 1.486 21.631 1.00 0.00 H new ATOM 0 HG SER A 3 -6.638 1.213 22.528 1.00 0.00 H new ATOM 30 N GLY A 4 -10.643 0.770 20.093 1.00 0.00 N ATOM 31 CA GLY A 4 -12.006 1.127 19.744 1.00 0.00 C ATOM 32 C GLY A 4 -13.017 0.600 20.743 1.00 0.00 C ATOM 33 O GLY A 4 -12.704 0.428 21.921 1.00 0.00 O ATOM 0 H GLY A 4 -10.537 0.326 21.005 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -12.090 2.212 19.684 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.239 0.734 18.754 1.00 0.00 H new ATOM 37 N SER A 5 -14.233 0.343 20.272 1.00 0.00 N ATOM 38 CA SER A 5 -15.296 -0.162 21.134 1.00 0.00 C ATOM 39 C SER A 5 -15.198 -1.677 21.284 1.00 0.00 C ATOM 40 O SER A 5 -14.691 -2.369 20.401 1.00 0.00 O ATOM 41 CB SER A 5 -16.665 0.218 20.567 1.00 0.00 C ATOM 42 OG SER A 5 -17.710 -0.264 21.394 1.00 0.00 O ATOM 0 H SER A 5 -14.507 0.476 19.299 1.00 0.00 H new ATOM 0 HA SER A 5 -15.180 0.292 22.118 1.00 0.00 H new ATOM 0 HB2 SER A 5 -16.737 1.302 20.478 1.00 0.00 H new ATOM 0 HB3 SER A 5 -16.773 -0.192 19.563 1.00 0.00 H new ATOM 0 HG SER A 5 -18.575 -0.007 21.011 1.00 0.00 H new ATOM 48 N SER A 6 -15.688 -2.187 22.410 1.00 0.00 N ATOM 49 CA SER A 6 -15.654 -3.619 22.679 1.00 0.00 C ATOM 50 C SER A 6 -16.773 -4.019 23.637 1.00 0.00 C ATOM 51 O SER A 6 -17.383 -3.170 24.285 1.00 0.00 O ATOM 52 CB SER A 6 -14.298 -4.016 23.267 1.00 0.00 C ATOM 53 OG SER A 6 -13.977 -3.219 24.394 1.00 0.00 O ATOM 0 H SER A 6 -16.113 -1.629 23.150 1.00 0.00 H new ATOM 0 HA SER A 6 -15.802 -4.145 21.736 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.317 -5.067 23.555 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.523 -3.907 22.508 1.00 0.00 H new ATOM 0 HG SER A 6 -13.107 -3.494 24.752 1.00 0.00 H new ATOM 59 N GLY A 7 -17.036 -5.320 23.719 1.00 0.00 N ATOM 60 CA GLY A 7 -18.081 -5.811 24.598 1.00 0.00 C ATOM 61 C GLY A 7 -18.377 -7.282 24.381 1.00 0.00 C ATOM 62 O GLY A 7 -17.614 -7.985 23.719 1.00 0.00 O ATOM 0 H GLY A 7 -16.544 -6.042 23.193 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -17.784 -5.652 25.635 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -18.990 -5.233 24.435 1.00 0.00 H new ATOM 66 N HIS A 8 -19.488 -7.749 24.942 1.00 0.00 N ATOM 67 CA HIS A 8 -19.883 -9.146 24.807 1.00 0.00 C ATOM 68 C HIS A 8 -20.365 -9.441 23.390 1.00 0.00 C ATOM 69 O HIS A 8 -19.795 -10.279 22.693 1.00 0.00 O ATOM 70 CB HIS A 8 -20.983 -9.486 25.814 1.00 0.00 C ATOM 71 CG HIS A 8 -21.254 -10.955 25.932 1.00 0.00 C ATOM 72 ND1 HIS A 8 -21.036 -11.968 25.061 1.00 0.00 N flip ATOM 73 CD2 HIS A 8 -21.817 -11.529 27.052 1.00 0.00 C flip ATOM 74 CE1 HIS A 8 -21.466 -13.124 25.665 1.00 0.00 C flip ATOM 75 NE2 HIS A 8 -21.932 -12.831 26.866 1.00 0.00 N flip ATOM 0 H HIS A 8 -20.130 -7.180 25.494 1.00 0.00 H new ATOM 0 HA HIS A 8 -19.010 -9.766 25.010 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -20.701 -9.097 26.793 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -21.902 -8.978 25.521 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -22.117 -10.997 27.942 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -21.429 -14.112 25.229 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -22.316 -13.498 27.536 1.00 0.00 H new ATOM 83 N GLU A 9 -21.418 -8.746 22.972 1.00 0.00 N ATOM 84 CA GLU A 9 -21.977 -8.935 21.638 1.00 0.00 C ATOM 85 C GLU A 9 -22.423 -7.603 21.041 1.00 0.00 C ATOM 86 O GLU A 9 -23.399 -7.005 21.493 1.00 0.00 O ATOM 87 CB GLU A 9 -23.159 -9.905 21.689 1.00 0.00 C ATOM 88 CG GLU A 9 -24.166 -9.581 22.780 1.00 0.00 C ATOM 89 CD GLU A 9 -25.300 -10.585 22.844 1.00 0.00 C ATOM 90 OE1 GLU A 9 -25.048 -11.739 23.249 1.00 0.00 O ATOM 91 OE2 GLU A 9 -26.440 -10.218 22.489 1.00 0.00 O ATOM 0 H GLU A 9 -21.901 -8.048 23.537 1.00 0.00 H new ATOM 0 HA GLU A 9 -21.198 -9.356 21.002 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -23.666 -9.897 20.724 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -22.782 -10.916 21.843 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -23.656 -9.553 23.743 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -24.576 -8.586 22.607 1.00 0.00 H new ATOM 98 N GLU A 10 -21.700 -7.146 20.024 1.00 0.00 N ATOM 99 CA GLU A 10 -22.020 -5.885 19.366 1.00 0.00 C ATOM 100 C GLU A 10 -21.457 -5.852 17.948 1.00 0.00 C ATOM 101 O GLU A 10 -20.247 -5.955 17.744 1.00 0.00 O ATOM 102 CB GLU A 10 -21.467 -4.708 20.173 1.00 0.00 C ATOM 103 CG GLU A 10 -21.885 -3.350 19.633 1.00 0.00 C ATOM 104 CD GLU A 10 -21.109 -2.209 20.262 1.00 0.00 C ATOM 105 OE1 GLU A 10 -21.404 -1.858 21.423 1.00 0.00 O ATOM 106 OE2 GLU A 10 -20.204 -1.668 19.592 1.00 0.00 O ATOM 0 H GLU A 10 -20.889 -7.630 19.638 1.00 0.00 H new ATOM 0 HA GLU A 10 -23.105 -5.800 19.310 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -21.802 -4.798 21.206 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -20.379 -4.766 20.185 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -21.739 -3.332 18.553 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -22.950 -3.203 19.813 1.00 0.00 H new ATOM 113 N THR A 11 -22.345 -5.710 16.968 1.00 0.00 N ATOM 114 CA THR A 11 -21.939 -5.665 15.569 1.00 0.00 C ATOM 115 C THR A 11 -22.689 -4.575 14.813 1.00 0.00 C ATOM 116 O THR A 11 -23.902 -4.661 14.625 1.00 0.00 O ATOM 117 CB THR A 11 -22.180 -7.017 14.871 1.00 0.00 C ATOM 118 OG1 THR A 11 -23.549 -7.409 15.021 1.00 0.00 O ATOM 119 CG2 THR A 11 -21.273 -8.094 15.449 1.00 0.00 C ATOM 0 H THR A 11 -23.350 -5.624 17.118 1.00 0.00 H new ATOM 0 HA THR A 11 -20.872 -5.443 15.557 1.00 0.00 H new ATOM 0 HB THR A 11 -21.950 -6.900 13.812 1.00 0.00 H new ATOM 0 HG1 THR A 11 -24.128 -6.629 14.893 1.00 0.00 H new ATOM 0 HG21 THR A 11 -21.461 -9.040 14.941 1.00 0.00 H new ATOM 0 HG22 THR A 11 -20.231 -7.807 15.307 1.00 0.00 H new ATOM 0 HG23 THR A 11 -21.476 -8.208 16.514 1.00 0.00 H new ATOM 127 N GLU A 12 -21.960 -3.551 14.381 1.00 0.00 N ATOM 128 CA GLU A 12 -22.558 -2.444 13.645 1.00 0.00 C ATOM 129 C GLU A 12 -22.488 -2.690 12.140 1.00 0.00 C ATOM 130 O GLU A 12 -23.309 -2.178 11.378 1.00 0.00 O ATOM 131 CB GLU A 12 -21.853 -1.131 13.992 1.00 0.00 C ATOM 132 CG GLU A 12 -20.362 -1.146 13.699 1.00 0.00 C ATOM 133 CD GLU A 12 -19.555 -1.789 14.809 1.00 0.00 C ATOM 134 OE1 GLU A 12 -19.917 -1.601 15.990 1.00 0.00 O ATOM 135 OE2 GLU A 12 -18.563 -2.480 14.499 1.00 0.00 O ATOM 0 H GLU A 12 -20.954 -3.465 14.528 1.00 0.00 H new ATOM 0 HA GLU A 12 -23.606 -2.373 13.936 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -22.317 -0.320 13.431 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -22.005 -0.915 15.050 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -20.184 -1.684 12.768 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -20.015 -0.124 13.548 1.00 0.00 H new ATOM 142 N CYS A 13 -21.502 -3.475 11.721 1.00 0.00 N ATOM 143 CA CYS A 13 -21.323 -3.788 10.307 1.00 0.00 C ATOM 144 C CYS A 13 -22.251 -4.921 9.880 1.00 0.00 C ATOM 145 O CYS A 13 -22.740 -5.698 10.699 1.00 0.00 O ATOM 146 CB CYS A 13 -19.869 -4.171 10.029 1.00 0.00 C ATOM 147 SG CYS A 13 -18.793 -2.765 9.663 1.00 0.00 S ATOM 0 H CYS A 13 -20.815 -3.906 12.339 1.00 0.00 H new ATOM 0 HA CYS A 13 -21.574 -2.899 9.728 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -19.473 -4.703 10.894 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -19.841 -4.864 9.189 1.00 0.00 H new ATOM 0 HG CYS A 13 -17.584 -3.189 9.444 1.00 0.00 H new ATOM 153 N PRO A 14 -22.500 -5.017 8.565 1.00 0.00 N ATOM 154 CA PRO A 14 -23.372 -6.051 7.999 1.00 0.00 C ATOM 155 C PRO A 14 -22.752 -7.441 8.082 1.00 0.00 C ATOM 156 O PRO A 14 -21.629 -7.604 8.562 1.00 0.00 O ATOM 157 CB PRO A 14 -23.528 -5.621 6.538 1.00 0.00 C ATOM 158 CG PRO A 14 -22.306 -4.820 6.246 1.00 0.00 C ATOM 159 CD PRO A 14 -21.951 -4.124 7.531 1.00 0.00 C ATOM 0 HA PRO A 14 -24.316 -6.129 8.538 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -23.603 -6.485 5.877 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -24.432 -5.030 6.394 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -21.490 -5.461 5.911 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -22.493 -4.099 5.450 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -20.873 -4.001 7.637 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -22.392 -3.129 7.584 1.00 0.00 H new ATOM 167 N LEU A 15 -23.489 -8.442 7.612 1.00 0.00 N ATOM 168 CA LEU A 15 -23.011 -9.820 7.633 1.00 0.00 C ATOM 169 C LEU A 15 -21.851 -10.008 6.660 1.00 0.00 C ATOM 170 O LEU A 15 -20.738 -10.345 7.064 1.00 0.00 O ATOM 171 CB LEU A 15 -24.148 -10.780 7.281 1.00 0.00 C ATOM 172 CG LEU A 15 -25.072 -11.177 8.433 1.00 0.00 C ATOM 173 CD1 LEU A 15 -26.132 -10.111 8.659 1.00 0.00 C ATOM 174 CD2 LEU A 15 -25.719 -12.526 8.156 1.00 0.00 C ATOM 0 H LEU A 15 -24.420 -8.325 7.212 1.00 0.00 H new ATOM 0 HA LEU A 15 -22.656 -10.041 8.640 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -24.753 -10.323 6.497 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -23.714 -11.687 6.861 1.00 0.00 H new ATOM 0 HG LEU A 15 -24.474 -11.263 9.340 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -26.780 -10.411 9.482 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -25.650 -9.164 8.903 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -26.727 -9.992 7.754 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -26.373 -12.793 8.986 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -26.303 -12.468 7.238 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -24.945 -13.285 8.046 1.00 0.00 H new ATOM 186 N ARG A 16 -22.119 -9.788 5.378 1.00 0.00 N ATOM 187 CA ARG A 16 -21.098 -9.933 4.348 1.00 0.00 C ATOM 188 C ARG A 16 -20.114 -8.767 4.389 1.00 0.00 C ATOM 189 O ARG A 16 -20.453 -7.641 4.021 1.00 0.00 O ATOM 190 CB ARG A 16 -21.746 -10.017 2.965 1.00 0.00 C ATOM 191 CG ARG A 16 -22.658 -11.221 2.792 1.00 0.00 C ATOM 192 CD ARG A 16 -21.860 -12.508 2.651 1.00 0.00 C ATOM 193 NE ARG A 16 -22.637 -13.567 2.014 1.00 0.00 N ATOM 194 CZ ARG A 16 -23.464 -14.371 2.674 1.00 0.00 C ATOM 195 NH1 ARG A 16 -23.620 -14.236 3.984 1.00 0.00 N ATOM 196 NH2 ARG A 16 -24.137 -15.312 2.024 1.00 0.00 N ATOM 0 H ARG A 16 -23.035 -9.508 5.027 1.00 0.00 H new ATOM 0 HA ARG A 16 -20.551 -10.855 4.543 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -22.320 -9.108 2.786 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -20.963 -10.053 2.208 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -23.327 -11.298 3.649 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -23.284 -11.081 1.911 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -20.962 -12.315 2.065 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -21.532 -12.841 3.636 1.00 0.00 H new ATOM 0 HE ARG A 16 -22.540 -13.697 1.007 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -23.105 -13.514 4.487 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -24.255 -14.854 4.488 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -24.020 -15.419 1.016 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -24.771 -15.928 2.532 1.00 0.00 H new ATOM 210 N LEU A 17 -18.896 -9.044 4.841 1.00 0.00 N ATOM 211 CA LEU A 17 -17.862 -8.018 4.931 1.00 0.00 C ATOM 212 C LEU A 17 -16.602 -8.448 4.188 1.00 0.00 C ATOM 213 O LEU A 17 -16.316 -9.639 4.067 1.00 0.00 O ATOM 214 CB LEU A 17 -17.530 -7.729 6.396 1.00 0.00 C ATOM 215 CG LEU A 17 -18.510 -6.821 7.140 1.00 0.00 C ATOM 216 CD1 LEU A 17 -18.479 -7.111 8.633 1.00 0.00 C ATOM 217 CD2 LEU A 17 -18.189 -5.358 6.873 1.00 0.00 C ATOM 0 H LEU A 17 -18.600 -9.970 5.151 1.00 0.00 H new ATOM 0 HA LEU A 17 -18.244 -7.110 4.465 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -17.470 -8.678 6.928 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -16.540 -7.275 6.441 1.00 0.00 H new ATOM 0 HG LEU A 17 -19.515 -7.025 6.772 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -19.183 -6.455 9.146 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -18.758 -8.150 8.808 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -17.474 -6.936 9.017 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -18.896 -4.726 7.410 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -17.177 -5.140 7.213 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -18.264 -5.158 5.804 1.00 0.00 H new ATOM 229 N ALA A 18 -15.851 -7.470 3.692 1.00 0.00 N ATOM 230 CA ALA A 18 -14.619 -7.747 2.964 1.00 0.00 C ATOM 231 C ALA A 18 -13.399 -7.279 3.751 1.00 0.00 C ATOM 232 O ALA A 18 -13.480 -6.335 4.538 1.00 0.00 O ATOM 233 CB ALA A 18 -14.653 -7.082 1.596 1.00 0.00 C ATOM 0 H ALA A 18 -16.074 -6.479 3.781 1.00 0.00 H new ATOM 0 HA ALA A 18 -14.541 -8.826 2.830 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -13.727 -7.297 1.064 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -15.498 -7.467 1.025 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -14.759 -6.004 1.718 1.00 0.00 H new ATOM 239 N VAL A 19 -12.269 -7.945 3.534 1.00 0.00 N ATOM 240 CA VAL A 19 -11.032 -7.597 4.223 1.00 0.00 C ATOM 241 C VAL A 19 -10.014 -7.001 3.257 1.00 0.00 C ATOM 242 O VAL A 19 -9.887 -7.449 2.117 1.00 0.00 O ATOM 243 CB VAL A 19 -10.410 -8.824 4.914 1.00 0.00 C ATOM 244 CG1 VAL A 19 -9.124 -8.439 5.631 1.00 0.00 C ATOM 245 CG2 VAL A 19 -11.403 -9.450 5.883 1.00 0.00 C ATOM 0 H VAL A 19 -12.185 -8.729 2.886 1.00 0.00 H new ATOM 0 HA VAL A 19 -11.289 -6.855 4.979 1.00 0.00 H new ATOM 0 HB VAL A 19 -10.165 -9.563 4.151 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -8.699 -9.319 6.113 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -8.411 -8.040 4.910 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -9.340 -7.681 6.384 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -10.947 -10.316 6.363 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -11.681 -8.719 6.642 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -12.294 -9.764 5.339 1.00 0.00 H new ATOM 255 N CYS A 20 -9.290 -5.987 3.720 1.00 0.00 N ATOM 256 CA CYS A 20 -8.282 -5.328 2.898 1.00 0.00 C ATOM 257 C CYS A 20 -7.025 -6.187 2.787 1.00 0.00 C ATOM 258 O CYS A 20 -6.806 -7.090 3.593 1.00 0.00 O ATOM 259 CB CYS A 20 -7.929 -3.961 3.486 1.00 0.00 C ATOM 260 SG CYS A 20 -6.965 -2.897 2.365 1.00 0.00 S ATOM 0 H CYS A 20 -9.383 -5.604 4.661 1.00 0.00 H new ATOM 0 HA CYS A 20 -8.696 -5.190 1.899 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -8.850 -3.445 3.757 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -7.363 -4.108 4.406 1.00 0.00 H new ATOM 265 N GLN A 21 -6.204 -5.896 1.783 1.00 0.00 N ATOM 266 CA GLN A 21 -4.970 -6.641 1.566 1.00 0.00 C ATOM 267 C GLN A 21 -3.756 -5.815 1.978 1.00 0.00 C ATOM 268 O GLN A 21 -2.666 -6.352 2.180 1.00 0.00 O ATOM 269 CB GLN A 21 -4.848 -7.052 0.098 1.00 0.00 C ATOM 270 CG GLN A 21 -4.428 -5.914 -0.819 1.00 0.00 C ATOM 271 CD GLN A 21 -2.923 -5.761 -0.907 1.00 0.00 C ATOM 272 OE1 GLN A 21 -2.380 -4.688 -0.641 1.00 0.00 O ATOM 273 NE2 GLN A 21 -2.239 -6.836 -1.281 1.00 0.00 N ATOM 0 H GLN A 21 -6.371 -5.150 1.108 1.00 0.00 H new ATOM 0 HA GLN A 21 -5.003 -7.538 2.185 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -4.123 -7.861 0.015 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -5.806 -7.446 -0.241 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -4.831 -6.089 -1.817 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -4.864 -4.982 -0.458 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -2.730 -7.705 -1.492 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -1.223 -6.793 -1.357 1.00 0.00 H new ATOM 282 N HIS A 22 -3.951 -4.506 2.099 1.00 0.00 N ATOM 283 CA HIS A 22 -2.871 -3.605 2.487 1.00 0.00 C ATOM 284 C HIS A 22 -2.849 -3.403 3.999 1.00 0.00 C ATOM 285 O HIS A 22 -1.826 -3.620 4.650 1.00 0.00 O ATOM 286 CB HIS A 22 -3.026 -2.256 1.783 1.00 0.00 C ATOM 287 CG HIS A 22 -2.656 -2.292 0.332 1.00 0.00 C ATOM 288 ND1 HIS A 22 -1.352 -2.349 -0.111 1.00 0.00 N ATOM 289 CD2 HIS A 22 -3.429 -2.280 -0.779 1.00 0.00 C ATOM 290 CE1 HIS A 22 -1.338 -2.369 -1.431 1.00 0.00 C ATOM 291 NE2 HIS A 22 -2.586 -2.328 -1.862 1.00 0.00 N ATOM 0 H HIS A 22 -4.846 -4.045 1.934 1.00 0.00 H new ATOM 0 HA HIS A 22 -1.927 -4.058 2.185 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -4.059 -1.922 1.878 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -2.405 -1.517 2.290 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -4.508 -2.240 -0.808 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -0.456 -2.412 -2.053 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -2.876 -2.331 -2.840 1.00 0.00 H new ATOM 299 N CYS A 23 -3.982 -2.986 4.553 1.00 0.00 N ATOM 300 CA CYS A 23 -4.093 -2.754 5.988 1.00 0.00 C ATOM 301 C CYS A 23 -4.664 -3.980 6.695 1.00 0.00 C ATOM 302 O CYS A 23 -4.475 -4.159 7.898 1.00 0.00 O ATOM 303 CB CYS A 23 -4.978 -1.536 6.261 1.00 0.00 C ATOM 304 SG CYS A 23 -6.755 -1.833 5.991 1.00 0.00 S ATOM 0 H CYS A 23 -4.838 -2.802 4.029 1.00 0.00 H new ATOM 0 HA CYS A 23 -3.093 -2.564 6.379 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -4.827 -1.214 7.291 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -4.656 -0.715 5.620 1.00 0.00 H new ATOM 309 N ASP A 24 -5.361 -4.821 5.939 1.00 0.00 N ATOM 310 CA ASP A 24 -5.958 -6.031 6.492 1.00 0.00 C ATOM 311 C ASP A 24 -6.999 -5.687 7.553 1.00 0.00 C ATOM 312 O ASP A 24 -6.999 -6.257 8.645 1.00 0.00 O ATOM 313 CB ASP A 24 -4.877 -6.930 7.093 1.00 0.00 C ATOM 314 CG ASP A 24 -4.111 -7.700 6.035 1.00 0.00 C ATOM 315 OD1 ASP A 24 -4.710 -8.594 5.403 1.00 0.00 O ATOM 316 OD2 ASP A 24 -2.912 -7.410 5.841 1.00 0.00 O ATOM 0 H ASP A 24 -5.527 -4.687 4.941 1.00 0.00 H new ATOM 0 HA ASP A 24 -6.454 -6.565 5.682 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -4.181 -6.321 7.670 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -5.337 -7.633 7.788 1.00 0.00 H new ATOM 321 N LEU A 25 -7.884 -4.752 7.226 1.00 0.00 N ATOM 322 CA LEU A 25 -8.930 -4.331 8.151 1.00 0.00 C ATOM 323 C LEU A 25 -10.306 -4.755 7.646 1.00 0.00 C ATOM 324 O LEU A 25 -10.513 -4.918 6.444 1.00 0.00 O ATOM 325 CB LEU A 25 -8.889 -2.814 8.342 1.00 0.00 C ATOM 326 CG LEU A 25 -9.554 -2.279 9.611 1.00 0.00 C ATOM 327 CD1 LEU A 25 -8.736 -2.650 10.838 1.00 0.00 C ATOM 328 CD2 LEU A 25 -9.734 -0.771 9.524 1.00 0.00 C ATOM 0 H LEU A 25 -7.898 -4.271 6.327 1.00 0.00 H new ATOM 0 HA LEU A 25 -8.750 -4.816 9.110 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -7.846 -2.496 8.340 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -9.366 -2.346 7.481 1.00 0.00 H new ATOM 0 HG LEU A 25 -10.539 -2.737 9.703 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -9.224 -2.261 11.732 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.659 -3.735 10.909 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -7.738 -2.220 10.754 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -10.209 -0.408 10.436 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -8.761 -0.295 9.407 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -10.362 -0.528 8.667 1.00 0.00 H new ATOM 340 N GLU A 26 -11.243 -4.929 8.573 1.00 0.00 N ATOM 341 CA GLU A 26 -12.599 -5.333 8.221 1.00 0.00 C ATOM 342 C GLU A 26 -13.399 -4.146 7.690 1.00 0.00 C ATOM 343 O GLU A 26 -13.501 -3.108 8.346 1.00 0.00 O ATOM 344 CB GLU A 26 -13.307 -5.937 9.436 1.00 0.00 C ATOM 345 CG GLU A 26 -14.434 -6.889 9.072 1.00 0.00 C ATOM 346 CD GLU A 26 -14.771 -7.849 10.196 1.00 0.00 C ATOM 347 OE1 GLU A 26 -14.165 -8.940 10.246 1.00 0.00 O ATOM 348 OE2 GLU A 26 -15.641 -7.511 11.026 1.00 0.00 O ATOM 0 H GLU A 26 -11.088 -4.797 9.572 1.00 0.00 H new ATOM 0 HA GLU A 26 -12.534 -6.086 7.436 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -12.576 -6.469 10.045 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -13.708 -5.131 10.050 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -15.322 -6.313 8.813 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -14.153 -7.457 8.186 1.00 0.00 H new ATOM 355 N LEU A 27 -13.964 -4.307 6.499 1.00 0.00 N ATOM 356 CA LEU A 27 -14.755 -3.250 5.878 1.00 0.00 C ATOM 357 C LEU A 27 -15.866 -3.838 5.014 1.00 0.00 C ATOM 358 O LEU A 27 -15.934 -5.050 4.812 1.00 0.00 O ATOM 359 CB LEU A 27 -13.858 -2.346 5.031 1.00 0.00 C ATOM 360 CG LEU A 27 -13.242 -1.146 5.752 1.00 0.00 C ATOM 361 CD1 LEU A 27 -11.892 -1.516 6.346 1.00 0.00 C ATOM 362 CD2 LEU A 27 -13.103 0.033 4.801 1.00 0.00 C ATOM 0 H LEU A 27 -13.889 -5.159 5.944 1.00 0.00 H new ATOM 0 HA LEU A 27 -15.212 -2.658 6.671 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -13.050 -2.952 4.620 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -14.441 -1.977 4.187 1.00 0.00 H new ATOM 0 HG LEU A 27 -13.906 -0.855 6.566 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -11.469 -0.650 6.855 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -12.019 -2.330 7.060 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -11.219 -1.834 5.550 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -12.663 0.878 5.331 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -12.460 -0.247 3.966 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -14.086 0.314 4.423 1.00 0.00 H new ATOM 374 N SER A 28 -16.734 -2.970 4.505 1.00 0.00 N ATOM 375 CA SER A 28 -17.844 -3.402 3.663 1.00 0.00 C ATOM 376 C SER A 28 -17.341 -3.875 2.302 1.00 0.00 C ATOM 377 O SER A 28 -16.251 -3.501 1.867 1.00 0.00 O ATOM 378 CB SER A 28 -18.848 -2.263 3.481 1.00 0.00 C ATOM 379 OG SER A 28 -20.085 -2.747 2.988 1.00 0.00 O ATOM 0 H SER A 28 -16.690 -1.963 4.661 1.00 0.00 H new ATOM 0 HA SER A 28 -18.340 -4.237 4.158 1.00 0.00 H new ATOM 0 HB2 SER A 28 -19.006 -1.757 4.434 1.00 0.00 H new ATOM 0 HB3 SER A 28 -18.442 -1.523 2.791 1.00 0.00 H new ATOM 0 HG SER A 28 -20.710 -2.000 2.882 1.00 0.00 H new ATOM 385 N ILE A 29 -18.143 -4.698 1.636 1.00 0.00 N ATOM 386 CA ILE A 29 -17.781 -5.221 0.324 1.00 0.00 C ATOM 387 C ILE A 29 -18.025 -4.185 -0.767 1.00 0.00 C ATOM 388 O ILE A 29 -17.357 -4.187 -1.802 1.00 0.00 O ATOM 389 CB ILE A 29 -18.572 -6.499 -0.010 1.00 0.00 C ATOM 390 CG1 ILE A 29 -18.327 -6.911 -1.463 1.00 0.00 C ATOM 391 CG2 ILE A 29 -20.057 -6.285 0.242 1.00 0.00 C ATOM 392 CD1 ILE A 29 -18.768 -8.324 -1.773 1.00 0.00 C ATOM 0 H ILE A 29 -19.048 -5.017 1.983 1.00 0.00 H new ATOM 0 HA ILE A 29 -16.718 -5.461 0.362 1.00 0.00 H new ATOM 0 HB ILE A 29 -18.226 -7.303 0.640 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -18.855 -6.221 -2.122 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -17.264 -6.814 -1.686 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -20.602 -7.198 0.001 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -20.216 -6.034 1.291 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -20.419 -5.470 -0.385 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -18.564 -8.547 -2.820 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -18.221 -9.023 -1.140 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -19.837 -8.422 -1.583 1.00 0.00 H new ATOM 404 N LEU A 30 -18.986 -3.299 -0.530 1.00 0.00 N ATOM 405 CA LEU A 30 -19.318 -2.254 -1.492 1.00 0.00 C ATOM 406 C LEU A 30 -18.311 -1.111 -1.425 1.00 0.00 C ATOM 407 O LEU A 30 -17.889 -0.579 -2.452 1.00 0.00 O ATOM 408 CB LEU A 30 -20.729 -1.723 -1.231 1.00 0.00 C ATOM 409 CG LEU A 30 -21.856 -2.395 -2.015 1.00 0.00 C ATOM 410 CD1 LEU A 30 -22.450 -3.545 -1.216 1.00 0.00 C ATOM 411 CD2 LEU A 30 -22.932 -1.382 -2.376 1.00 0.00 C ATOM 0 H LEU A 30 -19.549 -3.283 0.320 1.00 0.00 H new ATOM 0 HA LEU A 30 -19.279 -2.689 -2.491 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -20.943 -1.825 -0.167 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -20.742 -0.657 -1.458 1.00 0.00 H new ATOM 0 HG LEU A 30 -21.440 -2.798 -2.939 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -23.251 -4.011 -1.790 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -21.675 -4.283 -1.009 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -22.851 -3.166 -0.276 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -23.726 -1.878 -2.934 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -23.344 -0.949 -1.465 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -22.497 -0.592 -2.989 1.00 0.00 H new ATOM 423 N LYS A 31 -17.927 -0.739 -0.208 1.00 0.00 N ATOM 424 CA LYS A 31 -16.966 0.339 -0.005 1.00 0.00 C ATOM 425 C LYS A 31 -15.536 -0.170 -0.161 1.00 0.00 C ATOM 426 O LYS A 31 -14.651 0.562 -0.604 1.00 0.00 O ATOM 427 CB LYS A 31 -17.149 0.958 1.382 1.00 0.00 C ATOM 428 CG LYS A 31 -18.337 1.899 1.476 1.00 0.00 C ATOM 429 CD LYS A 31 -17.945 3.328 1.137 1.00 0.00 C ATOM 430 CE LYS A 31 -19.069 4.304 1.451 1.00 0.00 C ATOM 431 NZ LYS A 31 -19.322 4.407 2.914 1.00 0.00 N ATOM 0 H LYS A 31 -18.267 -1.168 0.653 1.00 0.00 H new ATOM 0 HA LYS A 31 -17.147 1.101 -0.763 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -17.270 0.159 2.114 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -16.243 1.502 1.650 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -19.121 1.565 0.797 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -18.751 1.864 2.484 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -17.053 3.605 1.700 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -17.688 3.395 0.080 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -18.816 5.288 1.056 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -19.980 3.983 0.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -19.873 5.267 3.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -19.855 3.573 3.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -18.415 4.453 3.421 1.00 0.00 H new ATOM 445 N LEU A 32 -15.318 -1.429 0.203 1.00 0.00 N ATOM 446 CA LEU A 32 -13.996 -2.037 0.101 1.00 0.00 C ATOM 447 C LEU A 32 -13.250 -1.516 -1.122 1.00 0.00 C ATOM 448 O LEU A 32 -12.192 -0.897 -1.001 1.00 0.00 O ATOM 449 CB LEU A 32 -14.118 -3.560 0.028 1.00 0.00 C ATOM 450 CG LEU A 32 -12.922 -4.301 -0.571 1.00 0.00 C ATOM 451 CD1 LEU A 32 -11.822 -4.467 0.467 1.00 0.00 C ATOM 452 CD2 LEU A 32 -13.352 -5.655 -1.117 1.00 0.00 C ATOM 0 H LEU A 32 -16.040 -2.049 0.571 1.00 0.00 H new ATOM 0 HA LEU A 32 -13.429 -1.766 0.992 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -14.288 -3.940 1.036 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -15.003 -3.806 -0.559 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.528 -3.708 -1.396 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.979 -4.996 0.023 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -11.494 -3.486 0.810 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -12.204 -5.038 1.313 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.488 -6.168 -1.539 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -13.772 -6.256 -0.310 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -14.104 -5.512 -1.893 1.00 0.00 H new ATOM 464 N LYS A 33 -13.808 -1.768 -2.301 1.00 0.00 N ATOM 465 CA LYS A 33 -13.198 -1.321 -3.548 1.00 0.00 C ATOM 466 C LYS A 33 -12.748 0.132 -3.444 1.00 0.00 C ATOM 467 O LYS A 33 -11.696 0.504 -3.964 1.00 0.00 O ATOM 468 CB LYS A 33 -14.185 -1.479 -4.708 1.00 0.00 C ATOM 469 CG LYS A 33 -15.560 -0.903 -4.418 1.00 0.00 C ATOM 470 CD LYS A 33 -16.296 -0.547 -5.698 1.00 0.00 C ATOM 471 CE LYS A 33 -17.553 0.261 -5.412 1.00 0.00 C ATOM 472 NZ LYS A 33 -18.695 -0.611 -5.021 1.00 0.00 N ATOM 0 H LYS A 33 -14.682 -2.280 -2.419 1.00 0.00 H new ATOM 0 HA LYS A 33 -12.322 -1.941 -3.737 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -13.775 -0.991 -5.592 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -14.286 -2.538 -4.946 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -16.146 -1.625 -3.849 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -15.459 -0.014 -3.796 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -15.636 0.024 -6.352 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -16.562 -1.459 -6.232 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -17.352 0.976 -4.614 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -17.823 0.838 -6.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -19.588 -0.097 -5.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -18.693 -1.470 -5.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -18.603 -0.876 -4.020 1.00 0.00 H new ATOM 486 N GLU A 34 -13.550 0.949 -2.768 1.00 0.00 N ATOM 487 CA GLU A 34 -13.232 2.361 -2.596 1.00 0.00 C ATOM 488 C GLU A 34 -12.125 2.548 -1.562 1.00 0.00 C ATOM 489 O GLU A 34 -11.116 3.201 -1.828 1.00 0.00 O ATOM 490 CB GLU A 34 -14.479 3.139 -2.170 1.00 0.00 C ATOM 491 CG GLU A 34 -14.196 4.583 -1.792 1.00 0.00 C ATOM 492 CD GLU A 34 -13.405 5.321 -2.855 1.00 0.00 C ATOM 493 OE1 GLU A 34 -13.996 5.666 -3.900 1.00 0.00 O ATOM 494 OE2 GLU A 34 -12.197 5.553 -2.643 1.00 0.00 O ATOM 0 H GLU A 34 -14.424 0.657 -2.331 1.00 0.00 H new ATOM 0 HA GLU A 34 -12.880 2.747 -3.553 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -15.204 3.121 -2.984 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -14.940 2.634 -1.321 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -15.140 5.101 -1.621 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -13.645 4.607 -0.852 1.00 0.00 H new ATOM 501 N HIS A 35 -12.323 1.969 -0.381 1.00 0.00 N ATOM 502 CA HIS A 35 -11.342 2.071 0.693 1.00 0.00 C ATOM 503 C HIS A 35 -9.927 1.871 0.158 1.00 0.00 C ATOM 504 O HIS A 35 -9.054 2.716 0.356 1.00 0.00 O ATOM 505 CB HIS A 35 -11.638 1.040 1.782 1.00 0.00 C ATOM 506 CG HIS A 35 -10.461 0.739 2.659 1.00 0.00 C ATOM 507 ND1 HIS A 35 -10.097 1.531 3.727 1.00 0.00 N ATOM 508 CD2 HIS A 35 -9.566 -0.275 2.621 1.00 0.00 C ATOM 509 CE1 HIS A 35 -9.027 1.018 4.308 1.00 0.00 C ATOM 510 NE2 HIS A 35 -8.685 -0.079 3.656 1.00 0.00 N ATOM 0 H HIS A 35 -13.153 1.425 -0.144 1.00 0.00 H new ATOM 0 HA HIS A 35 -11.412 3.071 1.121 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -12.458 1.403 2.401 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -11.977 0.116 1.313 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -10.578 2.380 4.022 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -9.548 -1.087 1.909 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -8.519 1.426 5.169 1.00 0.00 H new ATOM 518 N GLU A 36 -9.708 0.748 -0.519 1.00 0.00 N ATOM 519 CA GLU A 36 -8.399 0.438 -1.080 1.00 0.00 C ATOM 520 C GLU A 36 -7.738 1.693 -1.644 1.00 0.00 C ATOM 521 O GLU A 36 -6.626 2.050 -1.255 1.00 0.00 O ATOM 522 CB GLU A 36 -8.527 -0.621 -2.176 1.00 0.00 C ATOM 523 CG GLU A 36 -8.454 -2.047 -1.657 1.00 0.00 C ATOM 524 CD GLU A 36 -9.800 -2.568 -1.192 1.00 0.00 C ATOM 525 OE1 GLU A 36 -10.228 -2.195 -0.080 1.00 0.00 O ATOM 526 OE2 GLU A 36 -10.426 -3.348 -1.940 1.00 0.00 O ATOM 0 H GLU A 36 -10.420 0.038 -0.692 1.00 0.00 H new ATOM 0 HA GLU A 36 -7.772 0.047 -0.279 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -9.475 -0.481 -2.696 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -7.735 -0.470 -2.910 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -8.069 -2.697 -2.443 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -7.745 -2.093 -0.830 1.00 0.00 H new ATOM 533 N ASP A 37 -8.430 2.356 -2.564 1.00 0.00 N ATOM 534 CA ASP A 37 -7.911 3.571 -3.182 1.00 0.00 C ATOM 535 C ASP A 37 -7.315 4.503 -2.132 1.00 0.00 C ATOM 536 O ASP A 37 -6.287 5.140 -2.365 1.00 0.00 O ATOM 537 CB ASP A 37 -9.021 4.291 -3.950 1.00 0.00 C ATOM 538 CG ASP A 37 -8.680 5.740 -4.237 1.00 0.00 C ATOM 539 OD1 ASP A 37 -7.673 5.985 -4.934 1.00 0.00 O ATOM 540 OD2 ASP A 37 -9.419 6.629 -3.764 1.00 0.00 O ATOM 0 H ASP A 37 -9.351 2.073 -2.898 1.00 0.00 H new ATOM 0 HA ASP A 37 -7.122 3.287 -3.879 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -9.205 3.771 -4.890 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -9.946 4.245 -3.375 1.00 0.00 H new ATOM 545 N TYR A 38 -7.967 4.579 -0.977 1.00 0.00 N ATOM 546 CA TYR A 38 -7.503 5.436 0.107 1.00 0.00 C ATOM 547 C TYR A 38 -6.367 4.772 0.879 1.00 0.00 C ATOM 548 O TYR A 38 -5.332 5.388 1.135 1.00 0.00 O ATOM 549 CB TYR A 38 -8.657 5.762 1.057 1.00 0.00 C ATOM 550 CG TYR A 38 -8.357 6.900 2.007 1.00 0.00 C ATOM 551 CD1 TYR A 38 -8.158 8.191 1.534 1.00 0.00 C ATOM 552 CD2 TYR A 38 -8.272 6.683 3.376 1.00 0.00 C ATOM 553 CE1 TYR A 38 -7.883 9.233 2.398 1.00 0.00 C ATOM 554 CE2 TYR A 38 -7.999 7.720 4.248 1.00 0.00 C ATOM 555 CZ TYR A 38 -7.805 8.993 3.754 1.00 0.00 C ATOM 556 OH TYR A 38 -7.531 10.028 4.618 1.00 0.00 O ATOM 0 H TYR A 38 -8.818 4.057 -0.768 1.00 0.00 H new ATOM 0 HA TYR A 38 -7.128 6.361 -0.331 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -9.540 6.014 0.470 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -8.902 4.872 1.636 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -8.219 8.383 0.473 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -8.422 5.687 3.766 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -7.730 10.231 2.014 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -7.938 7.535 5.310 1.00 0.00 H new ATOM 0 HH TYR A 38 -7.512 9.690 5.538 1.00 0.00 H new ATOM 566 N CYS A 39 -6.568 3.511 1.246 1.00 0.00 N ATOM 567 CA CYS A 39 -5.562 2.761 1.987 1.00 0.00 C ATOM 568 C CYS A 39 -4.166 3.025 1.431 1.00 0.00 C ATOM 569 O CYS A 39 -3.252 3.396 2.166 1.00 0.00 O ATOM 570 CB CYS A 39 -5.870 1.263 1.933 1.00 0.00 C ATOM 571 SG CYS A 39 -5.076 0.293 3.255 1.00 0.00 S ATOM 0 H CYS A 39 -7.419 2.987 1.042 1.00 0.00 H new ATOM 0 HA CYS A 39 -5.589 3.094 3.025 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -6.949 1.122 1.992 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -5.550 0.872 0.967 1.00 0.00 H new ATOM 576 N GLY A 40 -4.009 2.830 0.125 1.00 0.00 N ATOM 577 CA GLY A 40 -2.722 3.052 -0.509 1.00 0.00 C ATOM 578 C GLY A 40 -2.294 4.505 -0.460 1.00 0.00 C ATOM 579 O GLY A 40 -1.215 4.824 0.036 1.00 0.00 O ATOM 0 H GLY A 40 -4.750 2.522 -0.505 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.968 2.438 -0.017 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.771 2.726 -1.548 1.00 0.00 H new ATOM 583 N ALA A 41 -3.143 5.388 -0.977 1.00 0.00 N ATOM 584 CA ALA A 41 -2.846 6.815 -0.989 1.00 0.00 C ATOM 585 C ALA A 41 -2.140 7.240 0.294 1.00 0.00 C ATOM 586 O ALA A 41 -1.176 8.005 0.258 1.00 0.00 O ATOM 587 CB ALA A 41 -4.125 7.618 -1.181 1.00 0.00 C ATOM 0 H ALA A 41 -4.041 5.140 -1.393 1.00 0.00 H new ATOM 0 HA ALA A 41 -2.175 7.015 -1.825 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -3.889 8.682 -1.188 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -4.589 7.343 -2.128 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -4.815 7.405 -0.364 1.00 0.00 H new ATOM 593 N ARG A 42 -2.627 6.741 1.425 1.00 0.00 N ATOM 594 CA ARG A 42 -2.043 7.071 2.719 1.00 0.00 C ATOM 595 C ARG A 42 -0.537 6.820 2.716 1.00 0.00 C ATOM 596 O ARG A 42 -0.058 5.857 2.118 1.00 0.00 O ATOM 597 CB ARG A 42 -2.705 6.249 3.826 1.00 0.00 C ATOM 598 CG ARG A 42 -4.204 6.476 3.940 1.00 0.00 C ATOM 599 CD ARG A 42 -4.911 5.256 4.510 1.00 0.00 C ATOM 600 NE ARG A 42 -4.783 5.179 5.963 1.00 0.00 N ATOM 601 CZ ARG A 42 -5.092 4.098 6.671 1.00 0.00 C ATOM 602 NH1 ARG A 42 -5.544 3.010 6.064 1.00 0.00 N ATOM 603 NH2 ARG A 42 -4.948 4.105 7.990 1.00 0.00 N ATOM 0 H ARG A 42 -3.424 6.107 1.471 1.00 0.00 H new ATOM 0 HA ARG A 42 -2.217 8.130 2.908 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -2.519 5.191 3.642 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -2.236 6.494 4.779 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -4.395 7.339 4.578 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -4.614 6.709 2.957 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -5.967 5.290 4.240 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -4.496 4.354 4.061 1.00 0.00 H new ATOM 0 HE ARG A 42 -4.438 5.999 6.461 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -5.656 3.001 5.050 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -5.780 2.182 6.611 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -4.600 4.940 8.461 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -5.185 3.275 8.533 1.00 0.00 H new ATOM 617 N THR A 43 0.204 7.694 3.390 1.00 0.00 N ATOM 618 CA THR A 43 1.654 7.570 3.464 1.00 0.00 C ATOM 619 C THR A 43 2.107 7.257 4.885 1.00 0.00 C ATOM 620 O THR A 43 1.453 7.643 5.854 1.00 0.00 O ATOM 621 CB THR A 43 2.354 8.856 2.986 1.00 0.00 C ATOM 622 OG1 THR A 43 1.990 9.954 3.829 1.00 0.00 O ATOM 623 CG2 THR A 43 1.981 9.171 1.545 1.00 0.00 C ATOM 0 H THR A 43 -0.177 8.496 3.893 1.00 0.00 H new ATOM 0 HA THR A 43 1.934 6.747 2.806 1.00 0.00 H new ATOM 0 HB THR A 43 3.431 8.699 3.040 1.00 0.00 H new ATOM 0 HG1 THR A 43 2.163 10.797 3.361 1.00 0.00 H new ATOM 0 HG21 THR A 43 2.487 10.083 1.229 1.00 0.00 H new ATOM 0 HG22 THR A 43 2.286 8.346 0.902 1.00 0.00 H new ATOM 0 HG23 THR A 43 0.902 9.310 1.470 1.00 0.00 H new ATOM 631 N GLU A 44 3.231 6.556 5.003 1.00 0.00 N ATOM 632 CA GLU A 44 3.770 6.191 6.308 1.00 0.00 C ATOM 633 C GLU A 44 5.152 6.804 6.515 1.00 0.00 C ATOM 634 O GLU A 44 6.056 6.616 5.700 1.00 0.00 O ATOM 635 CB GLU A 44 3.849 4.670 6.445 1.00 0.00 C ATOM 636 CG GLU A 44 2.490 3.994 6.523 1.00 0.00 C ATOM 637 CD GLU A 44 2.530 2.690 7.295 1.00 0.00 C ATOM 638 OE1 GLU A 44 2.631 2.741 8.539 1.00 0.00 O ATOM 639 OE2 GLU A 44 2.460 1.619 6.657 1.00 0.00 O ATOM 0 H GLU A 44 3.785 6.230 4.211 1.00 0.00 H new ATOM 0 HA GLU A 44 3.099 6.582 7.073 1.00 0.00 H new ATOM 0 HB2 GLU A 44 4.398 4.265 5.595 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.420 4.423 7.340 1.00 0.00 H new ATOM 0 HG2 GLU A 44 1.779 4.671 6.997 1.00 0.00 H new ATOM 0 HG3 GLU A 44 2.125 3.803 5.514 1.00 0.00 H new ATOM 646 N LEU A 45 5.309 7.538 7.611 1.00 0.00 N ATOM 647 CA LEU A 45 6.580 8.180 7.927 1.00 0.00 C ATOM 648 C LEU A 45 7.626 7.146 8.332 1.00 0.00 C ATOM 649 O LEU A 45 7.617 6.645 9.457 1.00 0.00 O ATOM 650 CB LEU A 45 6.394 9.200 9.051 1.00 0.00 C ATOM 651 CG LEU A 45 7.404 10.348 9.090 1.00 0.00 C ATOM 652 CD1 LEU A 45 6.976 11.401 10.101 1.00 0.00 C ATOM 653 CD2 LEU A 45 8.794 9.824 9.419 1.00 0.00 C ATOM 0 H LEU A 45 4.572 7.703 8.296 1.00 0.00 H new ATOM 0 HA LEU A 45 6.931 8.695 7.032 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.394 9.625 8.967 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.437 8.673 10.004 1.00 0.00 H new ATOM 0 HG LEU A 45 7.436 10.812 8.104 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.706 12.210 10.115 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.000 11.798 9.822 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.914 10.950 11.092 1.00 0.00 H new ATOM 0 HD21 LEU A 45 9.500 10.654 9.443 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.777 9.334 10.393 1.00 0.00 H new ATOM 0 HD23 LEU A 45 9.102 9.107 8.658 1.00 0.00 H new ATOM 665 N CYS A 46 8.529 6.832 7.408 1.00 0.00 N ATOM 666 CA CYS A 46 9.583 5.859 7.668 1.00 0.00 C ATOM 667 C CYS A 46 10.487 6.328 8.805 1.00 0.00 C ATOM 668 O CYS A 46 10.621 7.526 9.052 1.00 0.00 O ATOM 669 CB CYS A 46 10.413 5.626 6.404 1.00 0.00 C ATOM 670 SG CYS A 46 11.795 4.459 6.627 1.00 0.00 S ATOM 0 H CYS A 46 8.551 7.238 6.472 1.00 0.00 H new ATOM 0 HA CYS A 46 9.113 4.921 7.964 1.00 0.00 H new ATOM 0 HB2 CYS A 46 9.759 5.252 5.616 1.00 0.00 H new ATOM 0 HB3 CYS A 46 10.810 6.582 6.061 1.00 0.00 H new ATOM 675 N GLY A 47 11.107 5.374 9.493 1.00 0.00 N ATOM 676 CA GLY A 47 11.990 5.708 10.594 1.00 0.00 C ATOM 677 C GLY A 47 13.435 5.846 10.158 1.00 0.00 C ATOM 678 O GLY A 47 14.194 6.623 10.735 1.00 0.00 O ATOM 0 H GLY A 47 11.013 4.376 9.307 1.00 0.00 H new ATOM 0 HA2 GLY A 47 11.660 6.642 11.049 1.00 0.00 H new ATOM 0 HA3 GLY A 47 11.917 4.937 11.361 1.00 0.00 H new ATOM 682 N ASN A 48 13.818 5.087 9.135 1.00 0.00 N ATOM 683 CA ASN A 48 15.182 5.126 8.623 1.00 0.00 C ATOM 684 C ASN A 48 15.493 6.487 8.006 1.00 0.00 C ATOM 685 O ASN A 48 16.345 7.225 8.500 1.00 0.00 O ATOM 686 CB ASN A 48 15.391 4.023 7.584 1.00 0.00 C ATOM 687 CG ASN A 48 14.901 2.672 8.068 1.00 0.00 C ATOM 688 OD1 ASN A 48 15.702 2.016 8.899 1.00 0.00 O flip ATOM 689 ND2 ASN A 48 13.815 2.225 7.700 1.00 0.00 N flip ATOM 0 H ASN A 48 13.202 4.438 8.645 1.00 0.00 H new ATOM 0 HA ASN A 48 15.862 4.962 9.459 1.00 0.00 H new ATOM 0 HB2 ASN A 48 14.867 4.289 6.666 1.00 0.00 H new ATOM 0 HB3 ASN A 48 16.451 3.955 7.338 1.00 0.00 H new ATOM 0 HD21 ASN A 48 13.232 2.764 7.060 1.00 0.00 H new ATOM 0 HD22 ASN A 48 13.498 1.315 8.035 1.00 0.00 H new ATOM 696 N CYS A 49 14.795 6.812 6.923 1.00 0.00 N ATOM 697 CA CYS A 49 14.994 8.083 6.237 1.00 0.00 C ATOM 698 C CYS A 49 14.246 9.208 6.947 1.00 0.00 C ATOM 699 O CYS A 49 14.808 10.267 7.220 1.00 0.00 O ATOM 700 CB CYS A 49 14.526 7.982 4.784 1.00 0.00 C ATOM 701 SG CYS A 49 12.826 7.354 4.593 1.00 0.00 S ATOM 0 H CYS A 49 14.086 6.212 6.501 1.00 0.00 H new ATOM 0 HA CYS A 49 16.059 8.312 6.253 1.00 0.00 H new ATOM 0 HB2 CYS A 49 14.592 8.967 4.323 1.00 0.00 H new ATOM 0 HB3 CYS A 49 15.207 7.329 4.239 1.00 0.00 H new ATOM 706 N GLY A 50 12.972 8.968 7.244 1.00 0.00 N ATOM 707 CA GLY A 50 12.167 9.969 7.920 1.00 0.00 C ATOM 708 C GLY A 50 11.279 10.741 6.964 1.00 0.00 C ATOM 709 O GLY A 50 11.085 11.946 7.123 1.00 0.00 O ATOM 0 H GLY A 50 12.483 8.099 7.029 1.00 0.00 H new ATOM 0 HA2 GLY A 50 11.548 9.484 8.675 1.00 0.00 H new ATOM 0 HA3 GLY A 50 12.822 10.664 8.444 1.00 0.00 H new ATOM 713 N ARG A 51 10.740 10.046 5.968 1.00 0.00 N ATOM 714 CA ARG A 51 9.871 10.675 4.980 1.00 0.00 C ATOM 715 C ARG A 51 8.550 9.921 4.860 1.00 0.00 C ATOM 716 O ARG A 51 8.437 8.775 5.293 1.00 0.00 O ATOM 717 CB ARG A 51 10.565 10.728 3.618 1.00 0.00 C ATOM 718 CG ARG A 51 10.453 9.436 2.827 1.00 0.00 C ATOM 719 CD ARG A 51 11.609 9.279 1.850 1.00 0.00 C ATOM 720 NE ARG A 51 11.308 9.867 0.548 1.00 0.00 N ATOM 721 CZ ARG A 51 12.186 9.935 -0.448 1.00 0.00 C ATOM 722 NH1 ARG A 51 13.411 9.455 -0.290 1.00 0.00 N ATOM 723 NH2 ARG A 51 11.837 10.485 -1.604 1.00 0.00 N ATOM 0 H ARG A 51 10.889 9.047 5.824 1.00 0.00 H new ATOM 0 HA ARG A 51 9.661 11.692 5.313 1.00 0.00 H new ATOM 0 HB2 ARG A 51 10.136 11.541 3.032 1.00 0.00 H new ATOM 0 HB3 ARG A 51 11.619 10.963 3.766 1.00 0.00 H new ATOM 0 HG2 ARG A 51 10.437 8.589 3.512 1.00 0.00 H new ATOM 0 HG3 ARG A 51 9.510 9.423 2.281 1.00 0.00 H new ATOM 0 HD2 ARG A 51 12.500 9.751 2.264 1.00 0.00 H new ATOM 0 HD3 ARG A 51 11.838 8.220 1.726 1.00 0.00 H new ATOM 0 HE ARG A 51 10.374 10.246 0.394 1.00 0.00 H new ATOM 0 HH11 ARG A 51 13.682 9.032 0.598 1.00 0.00 H new ATOM 0 HH12 ARG A 51 14.082 9.509 -1.056 1.00 0.00 H new ATOM 0 HH21 ARG A 51 10.895 10.856 -1.729 1.00 0.00 H new ATOM 0 HH22 ARG A 51 12.511 10.537 -2.368 1.00 0.00 H new ATOM 737 N ASN A 52 7.553 10.573 4.271 1.00 0.00 N ATOM 738 CA ASN A 52 6.239 9.965 4.095 1.00 0.00 C ATOM 739 C ASN A 52 6.126 9.300 2.727 1.00 0.00 C ATOM 740 O ASN A 52 6.172 9.969 1.694 1.00 0.00 O ATOM 741 CB ASN A 52 5.141 11.018 4.256 1.00 0.00 C ATOM 742 CG ASN A 52 5.410 11.963 5.411 1.00 0.00 C ATOM 743 OD1 ASN A 52 6.202 12.898 5.291 1.00 0.00 O ATOM 744 ND2 ASN A 52 4.751 11.722 6.538 1.00 0.00 N ATOM 0 H ASN A 52 7.630 11.523 3.907 1.00 0.00 H new ATOM 0 HA ASN A 52 6.114 9.200 4.862 1.00 0.00 H new ATOM 0 HB2 ASN A 52 5.054 11.592 3.333 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.184 10.520 4.413 1.00 0.00 H new ATOM 0 HD21 ASN A 52 4.892 12.324 7.350 1.00 0.00 H new ATOM 0 HD22 ASN A 52 4.104 10.935 6.592 1.00 0.00 H new ATOM 751 N VAL A 53 5.979 7.979 2.727 1.00 0.00 N ATOM 752 CA VAL A 53 5.858 7.223 1.486 1.00 0.00 C ATOM 753 C VAL A 53 4.530 6.476 1.425 1.00 0.00 C ATOM 754 O VAL A 53 4.060 5.940 2.430 1.00 0.00 O ATOM 755 CB VAL A 53 7.010 6.214 1.328 1.00 0.00 C ATOM 756 CG1 VAL A 53 6.885 5.461 0.013 1.00 0.00 C ATOM 757 CG2 VAL A 53 8.354 6.922 1.421 1.00 0.00 C ATOM 0 H VAL A 53 5.941 7.410 3.573 1.00 0.00 H new ATOM 0 HA VAL A 53 5.904 7.945 0.670 1.00 0.00 H new ATOM 0 HB VAL A 53 6.949 5.490 2.140 1.00 0.00 H new ATOM 0 HG11 VAL A 53 7.708 4.753 -0.080 1.00 0.00 H new ATOM 0 HG12 VAL A 53 5.938 4.922 -0.009 1.00 0.00 H new ATOM 0 HG13 VAL A 53 6.919 6.168 -0.816 1.00 0.00 H new ATOM 0 HG21 VAL A 53 9.157 6.194 1.307 1.00 0.00 H new ATOM 0 HG22 VAL A 53 8.427 7.669 0.631 1.00 0.00 H new ATOM 0 HG23 VAL A 53 8.442 7.410 2.392 1.00 0.00 H new ATOM 767 N LEU A 54 3.930 6.443 0.241 1.00 0.00 N ATOM 768 CA LEU A 54 2.655 5.760 0.048 1.00 0.00 C ATOM 769 C LEU A 54 2.730 4.319 0.541 1.00 0.00 C ATOM 770 O LEU A 54 3.762 3.661 0.415 1.00 0.00 O ATOM 771 CB LEU A 54 2.259 5.786 -1.430 1.00 0.00 C ATOM 772 CG LEU A 54 2.240 7.162 -2.096 1.00 0.00 C ATOM 773 CD1 LEU A 54 2.443 7.031 -3.597 1.00 0.00 C ATOM 774 CD2 LEU A 54 0.935 7.884 -1.792 1.00 0.00 C ATOM 0 H LEU A 54 4.305 6.881 -0.600 1.00 0.00 H new ATOM 0 HA LEU A 54 1.897 6.285 0.630 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.949 5.147 -1.982 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.268 5.344 -1.528 1.00 0.00 H new ATOM 0 HG LEU A 54 3.061 7.753 -1.690 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.427 8.020 -4.054 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.404 6.556 -3.794 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.644 6.422 -4.020 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.939 8.862 -2.274 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.098 7.297 -2.170 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.832 8.011 -0.714 1.00 0.00 H new ATOM 786 N VAL A 55 1.627 3.833 1.102 1.00 0.00 N ATOM 787 CA VAL A 55 1.565 2.468 1.611 1.00 0.00 C ATOM 788 C VAL A 55 1.924 1.460 0.525 1.00 0.00 C ATOM 789 O VAL A 55 2.716 0.544 0.750 1.00 0.00 O ATOM 790 CB VAL A 55 0.166 2.137 2.162 1.00 0.00 C ATOM 791 CG1 VAL A 55 0.052 0.652 2.473 1.00 0.00 C ATOM 792 CG2 VAL A 55 -0.132 2.974 3.397 1.00 0.00 C ATOM 0 H VAL A 55 0.764 4.365 1.215 1.00 0.00 H new ATOM 0 HA VAL A 55 2.291 2.399 2.421 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.573 2.381 1.399 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.944 0.437 2.861 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.219 0.076 1.563 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.799 0.378 3.218 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.125 2.727 3.773 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.610 2.764 4.167 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.095 4.032 3.137 1.00 0.00 H new ATOM 802 N LYS A 56 1.336 1.634 -0.654 1.00 0.00 N ATOM 803 CA LYS A 56 1.594 0.741 -1.777 1.00 0.00 C ATOM 804 C LYS A 56 3.065 0.781 -2.177 1.00 0.00 C ATOM 805 O LYS A 56 3.614 -0.210 -2.661 1.00 0.00 O ATOM 806 CB LYS A 56 0.719 1.125 -2.972 1.00 0.00 C ATOM 807 CG LYS A 56 1.110 2.445 -3.613 1.00 0.00 C ATOM 808 CD LYS A 56 2.124 2.245 -4.727 1.00 0.00 C ATOM 809 CE LYS A 56 2.699 3.571 -5.202 1.00 0.00 C ATOM 810 NZ LYS A 56 4.078 3.416 -5.742 1.00 0.00 N ATOM 0 H LYS A 56 0.677 2.386 -0.856 1.00 0.00 H new ATOM 0 HA LYS A 56 1.348 -0.274 -1.466 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.776 0.336 -3.722 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -0.320 1.182 -2.647 1.00 0.00 H new ATOM 0 HG2 LYS A 56 0.221 2.934 -4.012 1.00 0.00 H new ATOM 0 HG3 LYS A 56 1.526 3.109 -2.856 1.00 0.00 H new ATOM 0 HD2 LYS A 56 2.931 1.603 -4.375 1.00 0.00 H new ATOM 0 HD3 LYS A 56 1.650 1.732 -5.564 1.00 0.00 H new ATOM 0 HE2 LYS A 56 2.053 3.992 -5.972 1.00 0.00 H new ATOM 0 HE3 LYS A 56 2.711 4.279 -4.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 4.441 4.344 -6.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 4.697 3.022 -5.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 4.061 2.773 -6.559 1.00 0.00 H new ATOM 824 N ASP A 57 3.698 1.931 -1.972 1.00 0.00 N ATOM 825 CA ASP A 57 5.107 2.098 -2.309 1.00 0.00 C ATOM 826 C ASP A 57 6.000 1.494 -1.230 1.00 0.00 C ATOM 827 O ASP A 57 7.051 0.923 -1.527 1.00 0.00 O ATOM 828 CB ASP A 57 5.437 3.581 -2.490 1.00 0.00 C ATOM 829 CG ASP A 57 6.686 3.799 -3.322 1.00 0.00 C ATOM 830 OD1 ASP A 57 6.928 2.998 -4.249 1.00 0.00 O ATOM 831 OD2 ASP A 57 7.421 4.770 -3.046 1.00 0.00 O ATOM 0 H ASP A 57 3.258 2.761 -1.574 1.00 0.00 H new ATOM 0 HA ASP A 57 5.296 1.574 -3.246 1.00 0.00 H new ATOM 0 HB2 ASP A 57 4.594 4.082 -2.967 1.00 0.00 H new ATOM 0 HB3 ASP A 57 5.571 4.043 -1.512 1.00 0.00 H new ATOM 836 N LEU A 58 5.576 1.624 0.022 1.00 0.00 N ATOM 837 CA LEU A 58 6.338 1.091 1.146 1.00 0.00 C ATOM 838 C LEU A 58 6.972 -0.249 0.788 1.00 0.00 C ATOM 839 O LEU A 58 8.067 -0.573 1.248 1.00 0.00 O ATOM 840 CB LEU A 58 5.434 0.930 2.370 1.00 0.00 C ATOM 841 CG LEU A 58 5.124 2.209 3.148 1.00 0.00 C ATOM 842 CD1 LEU A 58 4.037 1.955 4.181 1.00 0.00 C ATOM 843 CD2 LEU A 58 6.382 2.745 3.816 1.00 0.00 C ATOM 0 H LEU A 58 4.709 2.093 0.285 1.00 0.00 H new ATOM 0 HA LEU A 58 7.134 1.797 1.380 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.492 0.489 2.045 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.901 0.219 3.051 1.00 0.00 H new ATOM 0 HG LEU A 58 4.761 2.960 2.446 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.830 2.876 4.725 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.130 1.618 3.679 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.371 1.188 4.880 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.143 3.656 4.365 1.00 0.00 H new ATOM 0 HD22 LEU A 58 6.774 1.998 4.506 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.131 2.966 3.056 1.00 0.00 H new ATOM 855 N LYS A 59 6.277 -1.025 -0.037 1.00 0.00 N ATOM 856 CA LYS A 59 6.773 -2.329 -0.461 1.00 0.00 C ATOM 857 C LYS A 59 8.159 -2.208 -1.085 1.00 0.00 C ATOM 858 O LYS A 59 9.068 -2.972 -0.759 1.00 0.00 O ATOM 859 CB LYS A 59 5.805 -2.965 -1.462 1.00 0.00 C ATOM 860 CG LYS A 59 4.696 -3.771 -0.807 1.00 0.00 C ATOM 861 CD LYS A 59 3.654 -2.869 -0.167 1.00 0.00 C ATOM 862 CE LYS A 59 2.348 -3.610 0.074 1.00 0.00 C ATOM 863 NZ LYS A 59 2.376 -4.384 1.346 1.00 0.00 N ATOM 0 H LYS A 59 5.368 -0.773 -0.425 1.00 0.00 H new ATOM 0 HA LYS A 59 6.845 -2.966 0.420 1.00 0.00 H new ATOM 0 HB2 LYS A 59 5.360 -2.180 -2.073 1.00 0.00 H new ATOM 0 HB3 LYS A 59 6.366 -3.614 -2.135 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.219 -4.408 -1.552 1.00 0.00 H new ATOM 0 HG3 LYS A 59 5.122 -4.430 -0.050 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.035 -2.485 0.779 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.472 -2.008 -0.810 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.525 -2.896 0.101 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.155 -4.287 -0.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 1.468 -4.875 1.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.145 -5.083 1.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.534 -3.736 2.144 1.00 0.00 H new ATOM 877 N THR A 60 8.316 -1.242 -1.985 1.00 0.00 N ATOM 878 CA THR A 60 9.591 -1.020 -2.654 1.00 0.00 C ATOM 879 C THR A 60 10.226 0.292 -2.209 1.00 0.00 C ATOM 880 O THR A 60 11.116 0.820 -2.875 1.00 0.00 O ATOM 881 CB THR A 60 9.426 -1.004 -4.186 1.00 0.00 C ATOM 882 OG1 THR A 60 8.538 0.051 -4.571 1.00 0.00 O ATOM 883 CG2 THR A 60 8.888 -2.335 -4.687 1.00 0.00 C ATOM 0 H THR A 60 7.575 -0.601 -2.267 1.00 0.00 H new ATOM 0 HA THR A 60 10.242 -1.848 -2.374 1.00 0.00 H new ATOM 0 HB THR A 60 10.406 -0.836 -4.633 1.00 0.00 H new ATOM 0 HG1 THR A 60 8.439 0.056 -5.546 1.00 0.00 H new ATOM 0 HG21 THR A 60 8.780 -2.299 -5.771 1.00 0.00 H new ATOM 0 HG22 THR A 60 9.581 -3.132 -4.418 1.00 0.00 H new ATOM 0 HG23 THR A 60 7.917 -2.529 -4.232 1.00 0.00 H new ATOM 891 N HIS A 61 9.762 0.814 -1.077 1.00 0.00 N ATOM 892 CA HIS A 61 10.286 2.065 -0.541 1.00 0.00 C ATOM 893 C HIS A 61 11.730 1.895 -0.078 1.00 0.00 C ATOM 894 O HIS A 61 12.588 2.747 -0.315 1.00 0.00 O ATOM 895 CB HIS A 61 9.419 2.549 0.621 1.00 0.00 C ATOM 896 CG HIS A 61 10.124 3.502 1.537 1.00 0.00 C ATOM 897 ND1 HIS A 61 10.780 4.630 1.091 1.00 0.00 N ATOM 898 CD2 HIS A 61 10.271 3.491 2.883 1.00 0.00 C ATOM 899 CE1 HIS A 61 11.302 5.270 2.122 1.00 0.00 C ATOM 900 NE2 HIS A 61 11.007 4.600 3.221 1.00 0.00 N ATOM 0 H HIS A 61 9.025 0.390 -0.514 1.00 0.00 H new ATOM 0 HA HIS A 61 10.263 2.810 -1.336 1.00 0.00 H new ATOM 0 HB2 HIS A 61 8.528 3.033 0.222 1.00 0.00 H new ATOM 0 HB3 HIS A 61 9.082 1.687 1.196 1.00 0.00 H new ATOM 0 HD1 HIS A 61 10.851 4.924 0.117 1.00 0.00 H new ATOM 0 HD2 HIS A 61 9.882 2.748 3.564 1.00 0.00 H new ATOM 0 HE1 HIS A 61 11.873 6.186 2.074 1.00 0.00 H new ATOM 908 N PRO A 62 12.007 0.771 0.598 1.00 0.00 N ATOM 909 CA PRO A 62 13.347 0.463 1.109 1.00 0.00 C ATOM 910 C PRO A 62 14.430 0.671 0.056 1.00 0.00 C ATOM 911 O PRO A 62 15.570 1.000 0.383 1.00 0.00 O ATOM 912 CB PRO A 62 13.249 -1.016 1.491 1.00 0.00 C ATOM 913 CG PRO A 62 11.805 -1.238 1.780 1.00 0.00 C ATOM 914 CD PRO A 62 11.034 -0.288 0.916 1.00 0.00 C ATOM 0 HA PRO A 62 13.628 1.113 1.937 1.00 0.00 H new ATOM 0 HB2 PRO A 62 13.594 -1.658 0.680 1.00 0.00 H new ATOM 0 HB3 PRO A 62 13.866 -1.242 2.361 1.00 0.00 H new ATOM 0 HG2 PRO A 62 11.523 -2.269 1.566 1.00 0.00 H new ATOM 0 HG3 PRO A 62 11.591 -1.061 2.834 1.00 0.00 H new ATOM 0 HD2 PRO A 62 10.667 -0.777 0.014 1.00 0.00 H new ATOM 0 HD3 PRO A 62 10.165 0.112 1.438 1.00 0.00 H new ATOM 922 N GLU A 63 14.066 0.478 -1.208 1.00 0.00 N ATOM 923 CA GLU A 63 15.008 0.644 -2.308 1.00 0.00 C ATOM 924 C GLU A 63 15.563 2.065 -2.338 1.00 0.00 C ATOM 925 O GLU A 63 16.771 2.275 -2.226 1.00 0.00 O ATOM 926 CB GLU A 63 14.332 0.320 -3.642 1.00 0.00 C ATOM 927 CG GLU A 63 14.143 -1.168 -3.883 1.00 0.00 C ATOM 928 CD GLU A 63 15.459 -1.918 -3.963 1.00 0.00 C ATOM 929 OE1 GLU A 63 16.020 -2.013 -5.074 1.00 0.00 O ATOM 930 OE2 GLU A 63 15.927 -2.410 -2.915 1.00 0.00 O ATOM 0 H GLU A 63 13.126 0.207 -1.495 1.00 0.00 H new ATOM 0 HA GLU A 63 15.836 -0.048 -2.152 1.00 0.00 H new ATOM 0 HB2 GLU A 63 13.360 0.811 -3.676 1.00 0.00 H new ATOM 0 HB3 GLU A 63 14.929 0.738 -4.453 1.00 0.00 H new ATOM 0 HG2 GLU A 63 13.538 -1.588 -3.080 1.00 0.00 H new ATOM 0 HG3 GLU A 63 13.589 -1.315 -4.810 1.00 0.00 H new ATOM 937 N VAL A 64 14.672 3.039 -2.492 1.00 0.00 N ATOM 938 CA VAL A 64 15.071 4.441 -2.537 1.00 0.00 C ATOM 939 C VAL A 64 15.419 4.958 -1.146 1.00 0.00 C ATOM 940 O VAL A 64 16.152 5.938 -1.001 1.00 0.00 O ATOM 941 CB VAL A 64 13.959 5.322 -3.137 1.00 0.00 C ATOM 942 CG1 VAL A 64 13.533 4.792 -4.498 1.00 0.00 C ATOM 943 CG2 VAL A 64 12.771 5.399 -2.190 1.00 0.00 C ATOM 0 H VAL A 64 13.669 2.883 -2.588 1.00 0.00 H new ATOM 0 HA VAL A 64 15.953 4.499 -3.174 1.00 0.00 H new ATOM 0 HB VAL A 64 14.352 6.330 -3.273 1.00 0.00 H new ATOM 0 HG11 VAL A 64 12.747 5.427 -4.906 1.00 0.00 H new ATOM 0 HG12 VAL A 64 14.389 4.794 -5.173 1.00 0.00 H new ATOM 0 HG13 VAL A 64 13.158 3.774 -4.391 1.00 0.00 H new ATOM 0 HG21 VAL A 64 11.995 6.025 -2.630 1.00 0.00 H new ATOM 0 HG22 VAL A 64 12.376 4.398 -2.020 1.00 0.00 H new ATOM 0 HG23 VAL A 64 13.090 5.829 -1.241 1.00 0.00 H new ATOM 953 N CYS A 65 14.890 4.294 -0.124 1.00 0.00 N ATOM 954 CA CYS A 65 15.144 4.685 1.257 1.00 0.00 C ATOM 955 C CYS A 65 16.625 4.548 1.598 1.00 0.00 C ATOM 956 O CYS A 65 17.277 3.582 1.203 1.00 0.00 O ATOM 957 CB CYS A 65 14.309 3.831 2.213 1.00 0.00 C ATOM 958 SG CYS A 65 14.575 4.211 3.975 1.00 0.00 S ATOM 0 H CYS A 65 14.282 3.482 -0.227 1.00 0.00 H new ATOM 0 HA CYS A 65 14.858 5.731 1.370 1.00 0.00 H new ATOM 0 HB2 CYS A 65 13.254 3.968 1.978 1.00 0.00 H new ATOM 0 HB3 CYS A 65 14.540 2.780 2.040 1.00 0.00 H new ATOM 963 N GLY A 66 17.151 5.523 2.334 1.00 0.00 N ATOM 964 CA GLY A 66 18.550 5.492 2.716 1.00 0.00 C ATOM 965 C GLY A 66 19.472 5.322 1.525 1.00 0.00 C ATOM 966 O GLY A 66 20.347 4.455 1.527 1.00 0.00 O ATOM 0 H GLY A 66 16.632 6.334 2.672 1.00 0.00 H new ATOM 0 HA2 GLY A 66 18.802 6.415 3.238 1.00 0.00 H new ATOM 0 HA3 GLY A 66 18.714 4.675 3.418 1.00 0.00 H new ATOM 970 N ARG A 67 19.276 6.149 0.503 1.00 0.00 N ATOM 971 CA ARG A 67 20.095 6.084 -0.701 1.00 0.00 C ATOM 972 C ARG A 67 21.228 7.104 -0.644 1.00 0.00 C ATOM 973 O ARG A 67 22.404 6.741 -0.673 1.00 0.00 O ATOM 974 CB ARG A 67 19.235 6.329 -1.942 1.00 0.00 C ATOM 975 CG ARG A 67 19.965 6.069 -3.250 1.00 0.00 C ATOM 976 CD ARG A 67 19.121 6.473 -4.449 1.00 0.00 C ATOM 977 NE ARG A 67 18.216 5.405 -4.866 1.00 0.00 N ATOM 978 CZ ARG A 67 18.570 4.419 -5.682 1.00 0.00 C ATOM 979 NH1 ARG A 67 19.803 4.365 -6.167 1.00 0.00 N ATOM 980 NH2 ARG A 67 17.690 3.483 -6.016 1.00 0.00 N ATOM 0 H ARG A 67 18.557 6.872 0.485 1.00 0.00 H new ATOM 0 HA ARG A 67 20.531 5.087 -0.760 1.00 0.00 H new ATOM 0 HB2 ARG A 67 18.353 5.690 -1.895 1.00 0.00 H new ATOM 0 HB3 ARG A 67 18.882 7.360 -1.931 1.00 0.00 H new ATOM 0 HG2 ARG A 67 20.903 6.624 -3.261 1.00 0.00 H new ATOM 0 HG3 ARG A 67 20.219 5.011 -3.322 1.00 0.00 H new ATOM 0 HD2 ARG A 67 18.542 7.363 -4.201 1.00 0.00 H new ATOM 0 HD3 ARG A 67 19.775 6.739 -5.280 1.00 0.00 H new ATOM 0 HE ARG A 67 17.260 5.417 -4.511 1.00 0.00 H new ATOM 0 HH11 ARG A 67 20.483 5.082 -5.913 1.00 0.00 H new ATOM 0 HH12 ARG A 67 20.072 3.606 -6.794 1.00 0.00 H new ATOM 0 HH21 ARG A 67 16.740 3.520 -5.646 1.00 0.00 H new ATOM 0 HH22 ARG A 67 17.963 2.726 -6.643 1.00 0.00 H new ATOM 994 N GLU A 68 20.865 8.380 -0.563 1.00 0.00 N ATOM 995 CA GLU A 68 21.852 9.452 -0.503 1.00 0.00 C ATOM 996 C GLU A 68 22.637 9.396 0.804 1.00 0.00 C ATOM 997 O GLU A 68 22.179 8.826 1.792 1.00 0.00 O ATOM 998 CB GLU A 68 21.168 10.814 -0.643 1.00 0.00 C ATOM 999 CG GLU A 68 22.043 11.870 -1.296 1.00 0.00 C ATOM 1000 CD GLU A 68 21.587 13.282 -0.981 1.00 0.00 C ATOM 1001 OE1 GLU A 68 21.131 13.517 0.158 1.00 0.00 O ATOM 1002 OE2 GLU A 68 21.685 14.150 -1.873 1.00 0.00 O ATOM 0 H GLU A 68 19.896 8.697 -0.537 1.00 0.00 H new ATOM 0 HA GLU A 68 22.548 9.317 -1.331 1.00 0.00 H new ATOM 0 HB2 GLU A 68 20.257 10.695 -1.230 1.00 0.00 H new ATOM 0 HB3 GLU A 68 20.867 11.163 0.345 1.00 0.00 H new ATOM 0 HG2 GLU A 68 23.072 11.741 -0.961 1.00 0.00 H new ATOM 0 HG3 GLU A 68 22.038 11.723 -2.376 1.00 0.00 H new ATOM 1009 N GLY A 69 23.825 9.993 0.800 1.00 0.00 N ATOM 1010 CA GLY A 69 24.656 10.000 1.990 1.00 0.00 C ATOM 1011 C GLY A 69 26.118 9.748 1.677 1.00 0.00 C ATOM 1012 O GLY A 69 26.538 8.601 1.524 1.00 0.00 O ATOM 0 H GLY A 69 24.227 10.472 -0.006 1.00 0.00 H new ATOM 0 HA2 GLY A 69 24.556 10.961 2.494 1.00 0.00 H new ATOM 0 HA3 GLY A 69 24.299 9.238 2.683 1.00 0.00 H new ATOM 1016 N SER A 70 26.895 10.822 1.582 1.00 0.00 N ATOM 1017 CA SER A 70 28.317 10.713 1.280 1.00 0.00 C ATOM 1018 C SER A 70 29.112 10.352 2.531 1.00 0.00 C ATOM 1019 O SER A 70 28.814 10.825 3.627 1.00 0.00 O ATOM 1020 CB SER A 70 28.839 12.026 0.693 1.00 0.00 C ATOM 1021 OG SER A 70 28.182 12.336 -0.524 1.00 0.00 O ATOM 0 H SER A 70 26.563 11.778 1.710 1.00 0.00 H new ATOM 0 HA SER A 70 28.446 9.918 0.545 1.00 0.00 H new ATOM 0 HB2 SER A 70 28.687 12.834 1.408 1.00 0.00 H new ATOM 0 HB3 SER A 70 29.913 11.950 0.521 1.00 0.00 H new ATOM 0 HG SER A 70 28.532 13.180 -0.879 1.00 0.00 H new ATOM 1027 N GLY A 71 30.125 9.509 2.359 1.00 0.00 N ATOM 1028 CA GLY A 71 30.948 9.097 3.482 1.00 0.00 C ATOM 1029 C GLY A 71 30.395 7.875 4.188 1.00 0.00 C ATOM 1030 O GLY A 71 29.335 7.919 4.813 1.00 0.00 O ATOM 0 H GLY A 71 30.391 9.103 1.462 1.00 0.00 H new ATOM 0 HA2 GLY A 71 31.957 8.884 3.130 1.00 0.00 H new ATOM 0 HA3 GLY A 71 31.025 9.920 4.193 1.00 0.00 H new ATOM 1034 N PRO A 72 31.122 6.752 4.092 1.00 0.00 N ATOM 1035 CA PRO A 72 30.717 5.491 4.719 1.00 0.00 C ATOM 1036 C PRO A 72 30.817 5.542 6.240 1.00 0.00 C ATOM 1037 O PRO A 72 30.562 4.549 6.922 1.00 0.00 O ATOM 1038 CB PRO A 72 31.713 4.476 4.152 1.00 0.00 C ATOM 1039 CG PRO A 72 32.913 5.283 3.794 1.00 0.00 C ATOM 1040 CD PRO A 72 32.395 6.627 3.363 1.00 0.00 C ATOM 0 HA PRO A 72 29.675 5.249 4.510 1.00 0.00 H new ATOM 0 HB2 PRO A 72 31.957 3.708 4.886 1.00 0.00 H new ATOM 0 HB3 PRO A 72 31.305 3.965 3.280 1.00 0.00 H new ATOM 0 HG2 PRO A 72 33.587 5.379 4.645 1.00 0.00 H new ATOM 0 HG3 PRO A 72 33.478 4.807 2.993 1.00 0.00 H new ATOM 0 HD2 PRO A 72 33.088 7.427 3.624 1.00 0.00 H new ATOM 0 HD3 PRO A 72 32.246 6.673 2.284 1.00 0.00 H new ATOM 1048 N SER A 73 31.190 6.704 6.765 1.00 0.00 N ATOM 1049 CA SER A 73 31.327 6.884 8.206 1.00 0.00 C ATOM 1050 C SER A 73 29.967 7.120 8.856 1.00 0.00 C ATOM 1051 O SER A 73 28.947 7.209 8.173 1.00 0.00 O ATOM 1052 CB SER A 73 32.260 8.057 8.509 1.00 0.00 C ATOM 1053 OG SER A 73 33.618 7.653 8.467 1.00 0.00 O ATOM 0 H SER A 73 31.403 7.536 6.214 1.00 0.00 H new ATOM 0 HA SER A 73 31.756 5.972 8.621 1.00 0.00 H new ATOM 0 HB2 SER A 73 32.092 8.855 7.786 1.00 0.00 H new ATOM 0 HB3 SER A 73 32.029 8.465 9.493 1.00 0.00 H new ATOM 0 HG SER A 73 34.194 8.421 8.662 1.00 0.00 H new ATOM 1059 N SER A 74 29.961 7.220 10.181 1.00 0.00 N ATOM 1060 CA SER A 74 28.727 7.442 10.926 1.00 0.00 C ATOM 1061 C SER A 74 28.171 8.837 10.653 1.00 0.00 C ATOM 1062 O SER A 74 28.896 9.733 10.222 1.00 0.00 O ATOM 1063 CB SER A 74 28.971 7.262 12.425 1.00 0.00 C ATOM 1064 OG SER A 74 29.384 5.939 12.719 1.00 0.00 O ATOM 0 H SER A 74 30.797 7.151 10.761 1.00 0.00 H new ATOM 0 HA SER A 74 27.994 6.706 10.594 1.00 0.00 H new ATOM 0 HB2 SER A 74 29.732 7.967 12.760 1.00 0.00 H new ATOM 0 HB3 SER A 74 28.059 7.492 12.975 1.00 0.00 H new ATOM 0 HG SER A 74 29.535 5.850 13.683 1.00 0.00 H new ATOM 1070 N GLY A 75 26.878 9.012 10.907 1.00 0.00 N ATOM 1071 CA GLY A 75 26.246 10.299 10.684 1.00 0.00 C ATOM 1072 C GLY A 75 26.881 11.407 11.501 1.00 0.00 C ATOM 1073 O GLY A 75 27.126 11.209 12.690 1.00 0.00 O ATOM 0 H GLY A 75 26.257 8.286 11.263 1.00 0.00 H new ATOM 0 HA2 GLY A 75 26.307 10.552 9.625 1.00 0.00 H new ATOM 0 HA3 GLY A 75 25.187 10.229 10.934 1.00 0.00 H new TER 1077 GLY A 75 HETATM 1078 ZN ZN A 401 -6.899 -1.058 3.791 1.00 0.00 ZN HETATM 1079 ZN ZN A 601 12.468 5.075 4.514 1.00 0.00 ZN