USER MOD reduce.3.24.130724 H: found=0, std=0, add=528, rem=0, adj=15 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 25:sc= 0.26! USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0118 USER MOD Single : A 6 SER OG : rot 180:sc= -0.0771 USER MOD Single : A 8 HIS : no HD1:sc=-0.00191 X(o=-0.0019,f=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 CYS SG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 22 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 28 SER OG : rot -160:sc= -0.484 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 155:sc= -0.521 (180deg=-1.32) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.026 USER MOD Single : A 48 ASN : amide:sc=-0.00602 K(o=-0.006,f=-1.6) USER MOD Single : A 52 ASN : amide:sc= 0.297 K(o=0.3,f=-1.9!) USER MOD Single : A 56 LYS NZ :NH3+ -131:sc= -2.61! (180deg=-3.45!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot -42:sc= 0.984 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc=-0.00785 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -20.382 -6.302 40.146 1.00 0.00 N ATOM 2 CA GLY A 1 -20.145 -6.133 38.724 1.00 0.00 C ATOM 3 C GLY A 1 -21.423 -6.198 37.912 1.00 0.00 C ATOM 4 O GLY A 1 -21.914 -5.176 37.433 1.00 0.00 O ATOM 0 H1 GLY A 1 -19.478 -6.250 40.657 1.00 0.00 H new ATOM 0 H2 GLY A 1 -21.015 -5.549 40.484 1.00 0.00 H new ATOM 0 H3 GLY A 1 -20.823 -7.228 40.317 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -19.657 -5.174 38.552 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -19.459 -6.906 38.379 1.00 0.00 H new ATOM 8 N SER A 2 -21.962 -7.402 37.754 1.00 0.00 N ATOM 9 CA SER A 2 -23.188 -7.597 36.988 1.00 0.00 C ATOM 10 C SER A 2 -23.967 -8.802 37.508 1.00 0.00 C ATOM 11 O SER A 2 -23.441 -9.913 37.576 1.00 0.00 O ATOM 12 CB SER A 2 -22.863 -7.786 35.505 1.00 0.00 C ATOM 13 OG SER A 2 -22.250 -9.042 35.273 1.00 0.00 O ATOM 0 H SER A 2 -21.569 -8.258 38.146 1.00 0.00 H new ATOM 0 HA SER A 2 -23.807 -6.708 37.106 1.00 0.00 H new ATOM 0 HB2 SER A 2 -23.777 -7.710 34.917 1.00 0.00 H new ATOM 0 HB3 SER A 2 -22.201 -6.987 35.170 1.00 0.00 H new ATOM 0 HG SER A 2 -22.505 -9.667 35.984 1.00 0.00 H new ATOM 19 N SER A 3 -25.224 -8.573 37.872 1.00 0.00 N ATOM 20 CA SER A 3 -26.076 -9.637 38.389 1.00 0.00 C ATOM 21 C SER A 3 -26.300 -10.715 37.333 1.00 0.00 C ATOM 22 O SER A 3 -26.457 -10.418 36.150 1.00 0.00 O ATOM 23 CB SER A 3 -27.421 -9.067 38.845 1.00 0.00 C ATOM 24 OG SER A 3 -28.140 -8.520 37.753 1.00 0.00 O ATOM 0 H SER A 3 -25.675 -7.660 37.818 1.00 0.00 H new ATOM 0 HA SER A 3 -25.572 -10.089 39.244 1.00 0.00 H new ATOM 0 HB2 SER A 3 -28.012 -9.853 39.316 1.00 0.00 H new ATOM 0 HB3 SER A 3 -27.256 -8.297 39.598 1.00 0.00 H new ATOM 0 HG SER A 3 -28.996 -8.164 38.070 1.00 0.00 H new ATOM 30 N GLY A 4 -26.312 -11.971 37.771 1.00 0.00 N ATOM 31 CA GLY A 4 -26.517 -13.075 36.852 1.00 0.00 C ATOM 32 C GLY A 4 -27.971 -13.238 36.457 1.00 0.00 C ATOM 33 O GLY A 4 -28.614 -14.222 36.822 1.00 0.00 O ATOM 0 H GLY A 4 -26.183 -12.243 38.746 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -25.916 -12.915 35.957 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -26.163 -13.997 37.312 1.00 0.00 H new ATOM 37 N SER A 5 -28.492 -12.270 35.709 1.00 0.00 N ATOM 38 CA SER A 5 -29.881 -12.308 35.268 1.00 0.00 C ATOM 39 C SER A 5 -30.007 -13.028 33.929 1.00 0.00 C ATOM 40 O SER A 5 -29.006 -13.348 33.287 1.00 0.00 O ATOM 41 CB SER A 5 -30.440 -10.889 35.151 1.00 0.00 C ATOM 42 OG SER A 5 -31.855 -10.903 35.072 1.00 0.00 O ATOM 0 H SER A 5 -27.973 -11.450 35.396 1.00 0.00 H new ATOM 0 HA SER A 5 -30.457 -12.858 36.012 1.00 0.00 H new ATOM 0 HB2 SER A 5 -30.127 -10.299 36.012 1.00 0.00 H new ATOM 0 HB3 SER A 5 -30.028 -10.404 34.266 1.00 0.00 H new ATOM 0 HG SER A 5 -32.188 -9.984 35.000 1.00 0.00 H new ATOM 48 N SER A 6 -31.244 -13.281 33.514 1.00 0.00 N ATOM 49 CA SER A 6 -31.502 -13.967 32.254 1.00 0.00 C ATOM 50 C SER A 6 -30.490 -13.550 31.191 1.00 0.00 C ATOM 51 O SER A 6 -29.885 -14.393 30.529 1.00 0.00 O ATOM 52 CB SER A 6 -32.921 -13.669 31.767 1.00 0.00 C ATOM 53 OG SER A 6 -33.112 -12.277 31.576 1.00 0.00 O ATOM 0 H SER A 6 -32.083 -13.021 34.032 1.00 0.00 H new ATOM 0 HA SER A 6 -31.402 -15.039 32.426 1.00 0.00 H new ATOM 0 HB2 SER A 6 -33.106 -14.197 30.831 1.00 0.00 H new ATOM 0 HB3 SER A 6 -33.644 -14.043 32.492 1.00 0.00 H new ATOM 0 HG SER A 6 -34.026 -12.112 31.263 1.00 0.00 H new ATOM 59 N GLY A 7 -30.310 -12.242 31.034 1.00 0.00 N ATOM 60 CA GLY A 7 -29.371 -11.735 30.051 1.00 0.00 C ATOM 61 C GLY A 7 -30.013 -11.514 28.696 1.00 0.00 C ATOM 62 O GLY A 7 -30.950 -12.220 28.322 1.00 0.00 O ATOM 0 H GLY A 7 -30.798 -11.525 31.570 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -28.949 -10.795 30.407 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -28.544 -12.437 29.947 1.00 0.00 H new ATOM 66 N HIS A 8 -29.510 -10.529 27.958 1.00 0.00 N ATOM 67 CA HIS A 8 -30.042 -10.216 26.636 1.00 0.00 C ATOM 68 C HIS A 8 -29.530 -11.208 25.596 1.00 0.00 C ATOM 69 O HIS A 8 -28.403 -11.691 25.688 1.00 0.00 O ATOM 70 CB HIS A 8 -29.657 -8.792 26.233 1.00 0.00 C ATOM 71 CG HIS A 8 -30.487 -7.737 26.897 1.00 0.00 C ATOM 72 ND1 HIS A 8 -30.853 -6.564 26.272 1.00 0.00 N ATOM 73 CD2 HIS A 8 -31.023 -7.683 28.139 1.00 0.00 C ATOM 74 CE1 HIS A 8 -31.578 -5.833 27.101 1.00 0.00 C ATOM 75 NE2 HIS A 8 -31.696 -6.491 28.241 1.00 0.00 N ATOM 0 H HIS A 8 -28.735 -9.934 28.253 1.00 0.00 H new ATOM 0 HA HIS A 8 -31.128 -10.292 26.681 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -28.608 -8.625 26.478 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -29.752 -8.691 25.152 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -30.937 -8.438 28.907 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -32.002 -4.864 26.884 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -32.205 -6.166 29.063 1.00 0.00 H new ATOM 83 N GLU A 9 -30.368 -11.507 24.608 1.00 0.00 N ATOM 84 CA GLU A 9 -30.000 -12.442 23.552 1.00 0.00 C ATOM 85 C GLU A 9 -29.457 -11.701 22.333 1.00 0.00 C ATOM 86 O GLU A 9 -30.214 -11.103 21.570 1.00 0.00 O ATOM 87 CB GLU A 9 -31.207 -13.292 23.149 1.00 0.00 C ATOM 88 CG GLU A 9 -30.932 -14.226 21.983 1.00 0.00 C ATOM 89 CD GLU A 9 -29.904 -15.289 22.316 1.00 0.00 C ATOM 90 OE1 GLU A 9 -30.193 -16.143 23.181 1.00 0.00 O ATOM 91 OE2 GLU A 9 -28.810 -15.267 21.714 1.00 0.00 O ATOM 0 H GLU A 9 -31.305 -11.115 24.517 1.00 0.00 H new ATOM 0 HA GLU A 9 -29.217 -13.095 23.938 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -31.528 -13.881 24.008 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -32.034 -12.632 22.888 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -31.862 -14.708 21.681 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -30.583 -13.643 21.130 1.00 0.00 H new ATOM 98 N GLU A 10 -28.140 -11.746 22.159 1.00 0.00 N ATOM 99 CA GLU A 10 -27.495 -11.078 21.035 1.00 0.00 C ATOM 100 C GLU A 10 -27.510 -11.965 19.794 1.00 0.00 C ATOM 101 O GLU A 10 -27.095 -13.124 19.838 1.00 0.00 O ATOM 102 CB GLU A 10 -26.054 -10.706 21.392 1.00 0.00 C ATOM 103 CG GLU A 10 -25.948 -9.512 22.326 1.00 0.00 C ATOM 104 CD GLU A 10 -24.614 -9.452 23.045 1.00 0.00 C ATOM 105 OE1 GLU A 10 -23.619 -9.967 22.493 1.00 0.00 O ATOM 106 OE2 GLU A 10 -24.565 -8.890 24.160 1.00 0.00 O ATOM 0 H GLU A 10 -27.499 -12.238 22.782 1.00 0.00 H new ATOM 0 HA GLU A 10 -28.054 -10.168 20.817 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -25.570 -11.565 21.857 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -25.506 -10.489 20.475 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -26.091 -8.595 21.755 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -26.751 -9.558 23.061 1.00 0.00 H new ATOM 113 N THR A 11 -27.993 -11.413 18.685 1.00 0.00 N ATOM 114 CA THR A 11 -28.064 -12.153 17.431 1.00 0.00 C ATOM 115 C THR A 11 -27.310 -11.429 16.321 1.00 0.00 C ATOM 116 O THR A 11 -27.188 -10.205 16.339 1.00 0.00 O ATOM 117 CB THR A 11 -29.524 -12.369 16.989 1.00 0.00 C ATOM 118 OG1 THR A 11 -30.156 -11.106 16.752 1.00 0.00 O ATOM 119 CG2 THR A 11 -30.301 -13.140 18.045 1.00 0.00 C ATOM 0 H THR A 11 -28.341 -10.456 18.630 1.00 0.00 H new ATOM 0 HA THR A 11 -27.599 -13.122 17.609 1.00 0.00 H new ATOM 0 HB THR A 11 -29.519 -12.951 16.067 1.00 0.00 H new ATOM 0 HG1 THR A 11 -31.083 -11.252 16.470 1.00 0.00 H new ATOM 0 HG21 THR A 11 -31.329 -13.280 17.710 1.00 0.00 H new ATOM 0 HG22 THR A 11 -29.835 -14.113 18.202 1.00 0.00 H new ATOM 0 HG23 THR A 11 -30.297 -12.581 18.980 1.00 0.00 H new ATOM 127 N GLU A 12 -26.808 -12.194 15.357 1.00 0.00 N ATOM 128 CA GLU A 12 -26.066 -11.623 14.239 1.00 0.00 C ATOM 129 C GLU A 12 -26.703 -12.012 12.908 1.00 0.00 C ATOM 130 O GLU A 12 -27.174 -13.137 12.739 1.00 0.00 O ATOM 131 CB GLU A 12 -24.609 -12.088 14.275 1.00 0.00 C ATOM 132 CG GLU A 12 -23.718 -11.229 15.158 1.00 0.00 C ATOM 133 CD GLU A 12 -24.176 -11.207 16.603 1.00 0.00 C ATOM 134 OE1 GLU A 12 -24.365 -12.296 17.183 1.00 0.00 O ATOM 135 OE2 GLU A 12 -24.346 -10.099 17.154 1.00 0.00 O ATOM 0 H GLU A 12 -26.901 -13.209 15.328 1.00 0.00 H new ATOM 0 HA GLU A 12 -26.096 -10.537 14.333 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -24.574 -13.118 14.630 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -24.211 -12.087 13.260 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -22.696 -11.604 15.110 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -23.702 -10.210 14.770 1.00 0.00 H new ATOM 142 N CYS A 13 -26.712 -11.075 11.967 1.00 0.00 N ATOM 143 CA CYS A 13 -27.292 -11.319 10.651 1.00 0.00 C ATOM 144 C CYS A 13 -26.209 -11.669 9.636 1.00 0.00 C ATOM 145 O CYS A 13 -25.050 -11.275 9.767 1.00 0.00 O ATOM 146 CB CYS A 13 -28.072 -10.091 10.179 1.00 0.00 C ATOM 147 SG CYS A 13 -29.446 -9.628 11.259 1.00 0.00 S ATOM 0 H CYS A 13 -26.325 -10.140 12.090 1.00 0.00 H new ATOM 0 HA CYS A 13 -27.975 -12.165 10.733 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -27.387 -9.247 10.099 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -28.459 -10.283 9.178 1.00 0.00 H new ATOM 0 HG CYS A 13 -30.042 -8.578 10.777 1.00 0.00 H new ATOM 153 N PRO A 14 -26.592 -12.430 8.600 1.00 0.00 N ATOM 154 CA PRO A 14 -25.668 -12.852 7.543 1.00 0.00 C ATOM 155 C PRO A 14 -25.233 -11.691 6.656 1.00 0.00 C ATOM 156 O PRO A 14 -25.949 -11.298 5.734 1.00 0.00 O ATOM 157 CB PRO A 14 -26.489 -13.862 6.737 1.00 0.00 C ATOM 158 CG PRO A 14 -27.907 -13.476 6.977 1.00 0.00 C ATOM 159 CD PRO A 14 -27.958 -12.936 8.380 1.00 0.00 C ATOM 0 HA PRO A 14 -24.743 -13.261 7.950 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -26.241 -13.817 5.677 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -26.295 -14.883 7.067 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -28.234 -12.725 6.258 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -28.569 -14.334 6.865 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -28.701 -12.144 8.479 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -28.220 -13.711 9.100 1.00 0.00 H new ATOM 167 N LEU A 15 -24.056 -11.145 6.940 1.00 0.00 N ATOM 168 CA LEU A 15 -23.524 -10.028 6.166 1.00 0.00 C ATOM 169 C LEU A 15 -22.121 -10.338 5.654 1.00 0.00 C ATOM 170 O LEU A 15 -21.179 -10.470 6.436 1.00 0.00 O ATOM 171 CB LEU A 15 -23.498 -8.758 7.019 1.00 0.00 C ATOM 172 CG LEU A 15 -23.641 -7.437 6.261 1.00 0.00 C ATOM 173 CD1 LEU A 15 -25.056 -7.278 5.729 1.00 0.00 C ATOM 174 CD2 LEU A 15 -23.271 -6.265 7.159 1.00 0.00 C ATOM 0 H LEU A 15 -23.452 -11.457 7.700 1.00 0.00 H new ATOM 0 HA LEU A 15 -24.177 -9.870 5.308 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -24.301 -8.821 7.753 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -22.560 -8.736 7.574 1.00 0.00 H new ATOM 0 HG LEU A 15 -22.956 -7.450 5.413 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -25.139 -6.333 5.193 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -25.285 -8.101 5.052 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -25.760 -7.286 6.561 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -23.378 -5.333 6.604 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -23.931 -6.249 8.026 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -22.238 -6.373 7.491 1.00 0.00 H new ATOM 186 N ARG A 16 -21.990 -10.453 4.337 1.00 0.00 N ATOM 187 CA ARG A 16 -20.701 -10.747 3.720 1.00 0.00 C ATOM 188 C ARG A 16 -19.814 -9.506 3.697 1.00 0.00 C ATOM 189 O ARG A 16 -20.123 -8.521 3.025 1.00 0.00 O ATOM 190 CB ARG A 16 -20.901 -11.271 2.297 1.00 0.00 C ATOM 191 CG ARG A 16 -19.607 -11.407 1.511 1.00 0.00 C ATOM 192 CD ARG A 16 -19.738 -12.433 0.396 1.00 0.00 C ATOM 193 NE ARG A 16 -20.008 -13.771 0.914 1.00 0.00 N ATOM 194 CZ ARG A 16 -19.710 -14.887 0.257 1.00 0.00 C ATOM 195 NH1 ARG A 16 -19.133 -14.825 -0.935 1.00 0.00 N ATOM 196 NH2 ARG A 16 -19.987 -16.068 0.794 1.00 0.00 N ATOM 0 H ARG A 16 -22.760 -10.347 3.676 1.00 0.00 H new ATOM 0 HA ARG A 16 -20.207 -11.514 4.316 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -21.393 -12.243 2.342 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -21.572 -10.599 1.762 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -19.334 -10.441 1.087 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -18.801 -11.700 2.183 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -20.542 -12.136 -0.278 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -18.820 -12.450 -0.191 1.00 0.00 H new ATOM 0 HE ARG A 16 -20.449 -13.854 1.830 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -18.917 -13.919 -1.350 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -18.906 -15.683 -1.437 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -20.429 -16.120 1.712 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -19.758 -16.924 0.289 1.00 0.00 H new ATOM 210 N LEU A 17 -18.711 -9.560 4.436 1.00 0.00 N ATOM 211 CA LEU A 17 -17.778 -8.440 4.501 1.00 0.00 C ATOM 212 C LEU A 17 -16.465 -8.785 3.806 1.00 0.00 C ATOM 213 O LEU A 17 -16.076 -9.950 3.735 1.00 0.00 O ATOM 214 CB LEU A 17 -17.513 -8.056 5.958 1.00 0.00 C ATOM 215 CG LEU A 17 -18.702 -7.481 6.728 1.00 0.00 C ATOM 216 CD1 LEU A 17 -18.533 -7.712 8.221 1.00 0.00 C ATOM 217 CD2 LEU A 17 -18.864 -5.998 6.431 1.00 0.00 C ATOM 0 H LEU A 17 -18.441 -10.367 4.998 1.00 0.00 H new ATOM 0 HA LEU A 17 -18.229 -7.592 3.985 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -17.157 -8.940 6.487 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -16.705 -7.325 5.979 1.00 0.00 H new ATOM 0 HG LEU A 17 -19.605 -7.997 6.401 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -19.389 -7.296 8.753 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -18.468 -8.782 8.419 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -17.621 -7.224 8.564 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -19.715 -5.606 6.988 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -17.960 -5.466 6.728 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -19.033 -5.857 5.363 1.00 0.00 H new ATOM 229 N ALA A 18 -15.784 -7.763 3.298 1.00 0.00 N ATOM 230 CA ALA A 18 -14.512 -7.957 2.613 1.00 0.00 C ATOM 231 C ALA A 18 -13.360 -7.361 3.415 1.00 0.00 C ATOM 232 O ALA A 18 -13.495 -6.294 4.015 1.00 0.00 O ATOM 233 CB ALA A 18 -14.563 -7.343 1.222 1.00 0.00 C ATOM 0 H ALA A 18 -16.092 -6.792 3.348 1.00 0.00 H new ATOM 0 HA ALA A 18 -14.338 -9.029 2.519 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -13.607 -7.495 0.722 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -15.355 -7.818 0.643 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -14.764 -6.275 1.303 1.00 0.00 H new ATOM 239 N VAL A 19 -12.228 -8.057 3.422 1.00 0.00 N ATOM 240 CA VAL A 19 -11.052 -7.596 4.151 1.00 0.00 C ATOM 241 C VAL A 19 -9.996 -7.047 3.198 1.00 0.00 C ATOM 242 O VAL A 19 -9.788 -7.582 2.109 1.00 0.00 O ATOM 243 CB VAL A 19 -10.431 -8.729 4.989 1.00 0.00 C ATOM 244 CG1 VAL A 19 -9.219 -8.223 5.756 1.00 0.00 C ATOM 245 CG2 VAL A 19 -11.465 -9.317 5.937 1.00 0.00 C ATOM 0 H VAL A 19 -12.100 -8.942 2.931 1.00 0.00 H new ATOM 0 HA VAL A 19 -11.385 -6.801 4.818 1.00 0.00 H new ATOM 0 HB VAL A 19 -10.100 -9.518 4.314 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -8.794 -9.037 6.342 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -8.472 -7.853 5.053 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -9.521 -7.415 6.423 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -11.010 -10.116 6.522 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -11.828 -8.538 6.608 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -12.299 -9.718 5.362 1.00 0.00 H new ATOM 255 N CYS A 20 -9.330 -5.975 3.616 1.00 0.00 N ATOM 256 CA CYS A 20 -8.295 -5.352 2.801 1.00 0.00 C ATOM 257 C CYS A 20 -7.036 -6.214 2.768 1.00 0.00 C ATOM 258 O CYS A 20 -6.843 -7.079 3.621 1.00 0.00 O ATOM 259 CB CYS A 20 -7.959 -3.960 3.342 1.00 0.00 C ATOM 260 SG CYS A 20 -7.040 -2.909 2.172 1.00 0.00 S ATOM 0 H CYS A 20 -9.489 -5.520 4.515 1.00 0.00 H new ATOM 0 HA CYS A 20 -8.676 -5.257 1.784 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -8.885 -3.455 3.617 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -7.372 -4.068 4.254 1.00 0.00 H new ATOM 265 N GLN A 21 -6.185 -5.970 1.777 1.00 0.00 N ATOM 266 CA GLN A 21 -4.945 -6.724 1.632 1.00 0.00 C ATOM 267 C GLN A 21 -3.751 -5.906 2.112 1.00 0.00 C ATOM 268 O GLN A 21 -2.701 -6.457 2.446 1.00 0.00 O ATOM 269 CB GLN A 21 -4.742 -7.138 0.173 1.00 0.00 C ATOM 270 CG GLN A 21 -4.613 -5.961 -0.780 1.00 0.00 C ATOM 271 CD GLN A 21 -4.916 -6.338 -2.217 1.00 0.00 C ATOM 272 OE1 GLN A 21 -6.025 -6.767 -2.538 1.00 0.00 O ATOM 273 NE2 GLN A 21 -3.930 -6.181 -3.091 1.00 0.00 N ATOM 0 H GLN A 21 -6.331 -5.257 1.063 1.00 0.00 H new ATOM 0 HA GLN A 21 -5.020 -7.619 2.249 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -3.846 -7.754 0.100 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -5.582 -7.758 -0.140 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -5.291 -5.168 -0.466 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -3.602 -5.558 -0.719 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -3.027 -5.822 -2.782 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -4.075 -6.419 -4.072 1.00 0.00 H new ATOM 282 N HIS A 22 -3.918 -4.588 2.144 1.00 0.00 N ATOM 283 CA HIS A 22 -2.853 -3.693 2.584 1.00 0.00 C ATOM 284 C HIS A 22 -2.938 -3.445 4.087 1.00 0.00 C ATOM 285 O HIS A 22 -1.974 -3.671 4.820 1.00 0.00 O ATOM 286 CB HIS A 22 -2.930 -2.365 1.830 1.00 0.00 C ATOM 287 CG HIS A 22 -2.896 -2.518 0.341 1.00 0.00 C ATOM 288 ND1 HIS A 22 -1.773 -2.924 -0.348 1.00 0.00 N ATOM 289 CD2 HIS A 22 -3.856 -2.319 -0.592 1.00 0.00 C ATOM 290 CE1 HIS A 22 -2.043 -2.966 -1.640 1.00 0.00 C ATOM 291 NE2 HIS A 22 -3.301 -2.604 -1.815 1.00 0.00 N ATOM 0 H HIS A 22 -4.780 -4.116 1.871 1.00 0.00 H new ATOM 0 HA HIS A 22 -1.898 -4.170 2.366 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -3.847 -1.849 2.113 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -2.099 -1.732 2.141 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -4.870 -1.996 -0.409 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -1.352 -3.248 -2.421 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -3.782 -2.546 -2.713 1.00 0.00 H new ATOM 299 N CYS A 23 -4.096 -2.977 4.540 1.00 0.00 N ATOM 300 CA CYS A 23 -4.307 -2.696 5.955 1.00 0.00 C ATOM 301 C CYS A 23 -4.819 -3.935 6.685 1.00 0.00 C ATOM 302 O CYS A 23 -4.584 -4.104 7.881 1.00 0.00 O ATOM 303 CB CYS A 23 -5.300 -1.545 6.125 1.00 0.00 C ATOM 304 SG CYS A 23 -7.030 -1.996 5.773 1.00 0.00 S ATOM 0 H CYS A 23 -4.903 -2.784 3.947 1.00 0.00 H new ATOM 0 HA CYS A 23 -3.350 -2.409 6.390 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -5.234 -1.171 7.147 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -5.008 -0.727 5.466 1.00 0.00 H new ATOM 309 N ASP A 24 -5.518 -4.798 5.955 1.00 0.00 N ATOM 310 CA ASP A 24 -6.061 -6.022 6.532 1.00 0.00 C ATOM 311 C ASP A 24 -7.099 -5.704 7.604 1.00 0.00 C ATOM 312 O ASP A 24 -7.126 -6.332 8.663 1.00 0.00 O ATOM 313 CB ASP A 24 -4.938 -6.873 7.129 1.00 0.00 C ATOM 314 CG ASP A 24 -3.931 -7.315 6.086 1.00 0.00 C ATOM 315 OD1 ASP A 24 -4.244 -8.247 5.316 1.00 0.00 O ATOM 316 OD2 ASP A 24 -2.828 -6.730 6.040 1.00 0.00 O ATOM 0 H ASP A 24 -5.722 -4.672 4.963 1.00 0.00 H new ATOM 0 HA ASP A 24 -6.548 -6.584 5.735 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -4.427 -6.303 7.905 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -5.368 -7.751 7.610 1.00 0.00 H new ATOM 321 N LEU A 25 -7.951 -4.725 7.323 1.00 0.00 N ATOM 322 CA LEU A 25 -8.991 -4.321 8.263 1.00 0.00 C ATOM 323 C LEU A 25 -10.373 -4.705 7.744 1.00 0.00 C ATOM 324 O LEU A 25 -10.574 -4.852 6.539 1.00 0.00 O ATOM 325 CB LEU A 25 -8.926 -2.813 8.509 1.00 0.00 C ATOM 326 CG LEU A 25 -9.890 -2.263 9.561 1.00 0.00 C ATOM 327 CD1 LEU A 25 -9.387 -2.575 10.962 1.00 0.00 C ATOM 328 CD2 LEU A 25 -10.076 -0.763 9.381 1.00 0.00 C ATOM 0 H LEU A 25 -7.942 -4.196 6.451 1.00 0.00 H new ATOM 0 HA LEU A 25 -8.819 -4.844 9.204 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -7.909 -2.557 8.808 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -9.119 -2.302 7.566 1.00 0.00 H new ATOM 0 HG LEU A 25 -10.857 -2.748 9.428 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -10.086 -2.176 11.697 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -9.306 -3.655 11.087 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -8.408 -2.118 11.107 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -10.765 -0.388 10.138 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -9.114 -0.262 9.486 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -10.483 -0.563 8.390 1.00 0.00 H new ATOM 340 N GLU A 26 -11.321 -4.863 8.662 1.00 0.00 N ATOM 341 CA GLU A 26 -12.685 -5.228 8.295 1.00 0.00 C ATOM 342 C GLU A 26 -13.445 -4.020 7.756 1.00 0.00 C ATOM 343 O GLU A 26 -13.534 -2.983 8.415 1.00 0.00 O ATOM 344 CB GLU A 26 -13.422 -5.811 9.502 1.00 0.00 C ATOM 345 CG GLU A 26 -14.671 -6.594 9.133 1.00 0.00 C ATOM 346 CD GLU A 26 -15.909 -5.721 9.067 1.00 0.00 C ATOM 347 OE1 GLU A 26 -16.088 -5.020 8.049 1.00 0.00 O ATOM 348 OE2 GLU A 26 -16.699 -5.739 10.034 1.00 0.00 O ATOM 0 H GLU A 26 -11.170 -4.744 9.664 1.00 0.00 H new ATOM 0 HA GLU A 26 -12.634 -5.983 7.510 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -12.743 -6.464 10.051 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -13.698 -4.999 10.175 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -14.520 -7.077 8.168 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -14.828 -7.386 9.865 1.00 0.00 H new ATOM 355 N LEU A 27 -13.991 -4.161 6.553 1.00 0.00 N ATOM 356 CA LEU A 27 -14.744 -3.081 5.923 1.00 0.00 C ATOM 357 C LEU A 27 -15.873 -3.636 5.061 1.00 0.00 C ATOM 358 O LEU A 27 -15.854 -4.803 4.671 1.00 0.00 O ATOM 359 CB LEU A 27 -13.815 -2.215 5.071 1.00 0.00 C ATOM 360 CG LEU A 27 -13.159 -1.031 5.783 1.00 0.00 C ATOM 361 CD1 LEU A 27 -11.817 -1.438 6.370 1.00 0.00 C ATOM 362 CD2 LEU A 27 -12.993 0.141 4.827 1.00 0.00 C ATOM 0 H LEU A 27 -13.927 -5.012 5.994 1.00 0.00 H new ATOM 0 HA LEU A 27 -15.181 -2.468 6.711 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -13.028 -2.851 4.667 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -14.384 -1.833 4.223 1.00 0.00 H new ATOM 0 HG LEU A 27 -13.809 -0.717 6.600 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -11.365 -0.583 6.873 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -11.964 -2.245 7.088 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -11.159 -1.779 5.571 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -12.525 0.974 5.351 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -12.365 -0.160 3.988 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -13.970 0.449 4.456 1.00 0.00 H new ATOM 374 N SER A 28 -16.855 -2.790 4.765 1.00 0.00 N ATOM 375 CA SER A 28 -17.994 -3.196 3.950 1.00 0.00 C ATOM 376 C SER A 28 -17.552 -3.540 2.531 1.00 0.00 C ATOM 377 O SER A 28 -16.957 -2.714 1.838 1.00 0.00 O ATOM 378 CB SER A 28 -19.044 -2.085 3.914 1.00 0.00 C ATOM 379 OG SER A 28 -18.461 -0.843 3.557 1.00 0.00 O ATOM 0 H SER A 28 -16.885 -1.819 5.077 1.00 0.00 H new ATOM 0 HA SER A 28 -18.433 -4.086 4.401 1.00 0.00 H new ATOM 0 HB2 SER A 28 -19.826 -2.342 3.199 1.00 0.00 H new ATOM 0 HB3 SER A 28 -19.521 -1.999 4.890 1.00 0.00 H new ATOM 0 HG SER A 28 -19.049 -0.112 3.840 1.00 0.00 H new ATOM 385 N ILE A 29 -17.846 -4.764 2.107 1.00 0.00 N ATOM 386 CA ILE A 29 -17.480 -5.218 0.770 1.00 0.00 C ATOM 387 C ILE A 29 -17.863 -4.185 -0.284 1.00 0.00 C ATOM 388 O ILE A 29 -17.223 -4.084 -1.332 1.00 0.00 O ATOM 389 CB ILE A 29 -18.153 -6.559 0.427 1.00 0.00 C ATOM 390 CG1 ILE A 29 -17.702 -7.043 -0.952 1.00 0.00 C ATOM 391 CG2 ILE A 29 -19.668 -6.420 0.476 1.00 0.00 C ATOM 392 CD1 ILE A 29 -17.833 -8.539 -1.141 1.00 0.00 C ATOM 0 H ILE A 29 -18.336 -5.460 2.669 1.00 0.00 H new ATOM 0 HA ILE A 29 -16.398 -5.353 0.767 1.00 0.00 H new ATOM 0 HB ILE A 29 -17.851 -7.299 1.168 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -18.290 -6.536 -1.716 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -16.662 -6.755 -1.107 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -20.129 -7.377 0.231 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -19.973 -6.116 1.477 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -19.988 -5.668 -0.245 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -17.495 -8.810 -2.141 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -17.222 -9.054 -0.400 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -18.876 -8.831 -1.019 1.00 0.00 H new ATOM 404 N LEU A 30 -18.910 -3.418 -0.001 1.00 0.00 N ATOM 405 CA LEU A 30 -19.378 -2.390 -0.924 1.00 0.00 C ATOM 406 C LEU A 30 -18.406 -1.215 -0.969 1.00 0.00 C ATOM 407 O LEU A 30 -18.070 -0.713 -2.042 1.00 0.00 O ATOM 408 CB LEU A 30 -20.768 -1.902 -0.514 1.00 0.00 C ATOM 409 CG LEU A 30 -21.879 -2.952 -0.529 1.00 0.00 C ATOM 410 CD1 LEU A 30 -23.179 -2.362 -0.004 1.00 0.00 C ATOM 411 CD2 LEU A 30 -22.072 -3.505 -1.934 1.00 0.00 C ATOM 0 H LEU A 30 -19.451 -3.489 0.861 1.00 0.00 H new ATOM 0 HA LEU A 30 -19.434 -2.830 -1.920 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -20.703 -1.485 0.491 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -21.056 -1.088 -1.179 1.00 0.00 H new ATOM 0 HG LEU A 30 -21.585 -3.772 0.126 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -23.958 -3.124 -0.022 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -23.034 -2.016 1.019 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -23.478 -1.523 -0.632 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -22.867 -4.251 -1.925 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -22.343 -2.694 -2.610 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -21.145 -3.966 -2.274 1.00 0.00 H new ATOM 423 N LYS A 31 -17.957 -0.781 0.204 1.00 0.00 N ATOM 424 CA LYS A 31 -17.021 0.333 0.300 1.00 0.00 C ATOM 425 C LYS A 31 -15.581 -0.169 0.342 1.00 0.00 C ATOM 426 O LYS A 31 -14.666 0.569 0.712 1.00 0.00 O ATOM 427 CB LYS A 31 -17.317 1.168 1.547 1.00 0.00 C ATOM 428 CG LYS A 31 -18.784 1.534 1.700 1.00 0.00 C ATOM 429 CD LYS A 31 -19.218 2.543 0.651 1.00 0.00 C ATOM 430 CE LYS A 31 -18.989 3.971 1.122 1.00 0.00 C ATOM 431 NZ LYS A 31 -20.175 4.515 1.841 1.00 0.00 N ATOM 0 H LYS A 31 -18.226 -1.184 1.102 1.00 0.00 H new ATOM 0 HA LYS A 31 -17.145 0.957 -0.585 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -16.995 0.615 2.429 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -16.725 2.082 1.511 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -19.395 0.635 1.617 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -18.956 1.945 2.695 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -18.665 2.370 -0.272 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -20.274 2.399 0.422 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -18.120 4.002 1.779 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -18.762 4.604 0.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -19.979 5.490 2.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -20.999 4.510 1.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -20.376 3.926 2.674 1.00 0.00 H new ATOM 445 N LEU A 32 -15.385 -1.426 -0.040 1.00 0.00 N ATOM 446 CA LEU A 32 -14.056 -2.026 -0.048 1.00 0.00 C ATOM 447 C LEU A 32 -13.223 -1.490 -1.208 1.00 0.00 C ATOM 448 O LEU A 32 -12.200 -0.838 -1.004 1.00 0.00 O ATOM 449 CB LEU A 32 -14.162 -3.549 -0.142 1.00 0.00 C ATOM 450 CG LEU A 32 -12.872 -4.291 -0.493 1.00 0.00 C ATOM 451 CD1 LEU A 32 -12.092 -4.631 0.767 1.00 0.00 C ATOM 452 CD2 LEU A 32 -13.182 -5.552 -1.287 1.00 0.00 C ATOM 0 H LEU A 32 -16.131 -2.050 -0.349 1.00 0.00 H new ATOM 0 HA LEU A 32 -13.559 -1.760 0.885 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -14.527 -3.927 0.813 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -14.915 -3.795 -0.891 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.256 -3.638 -1.111 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -11.177 -5.159 0.497 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -11.838 -3.713 1.297 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -12.700 -5.266 1.411 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.253 -6.068 -1.528 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -13.818 -6.209 -0.693 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -13.698 -5.284 -2.209 1.00 0.00 H new ATOM 464 N LYS A 33 -13.671 -1.768 -2.428 1.00 0.00 N ATOM 465 CA LYS A 33 -12.971 -1.312 -3.623 1.00 0.00 C ATOM 466 C LYS A 33 -12.449 0.109 -3.439 1.00 0.00 C ATOM 467 O LYS A 33 -11.251 0.361 -3.560 1.00 0.00 O ATOM 468 CB LYS A 33 -13.899 -1.373 -4.838 1.00 0.00 C ATOM 469 CG LYS A 33 -14.108 -2.778 -5.374 1.00 0.00 C ATOM 470 CD LYS A 33 -15.353 -2.865 -6.241 1.00 0.00 C ATOM 471 CE LYS A 33 -16.582 -3.219 -5.418 1.00 0.00 C ATOM 472 NZ LYS A 33 -17.091 -2.049 -4.649 1.00 0.00 N ATOM 0 H LYS A 33 -14.516 -2.307 -2.615 1.00 0.00 H new ATOM 0 HA LYS A 33 -12.121 -1.974 -3.790 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -14.866 -0.949 -4.568 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -13.487 -0.748 -5.631 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -13.237 -3.080 -5.955 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -14.194 -3.477 -4.542 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -15.514 -1.912 -6.745 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -15.205 -3.616 -7.017 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -17.367 -3.589 -6.078 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -16.337 -4.028 -4.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -18.105 -2.176 -4.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -16.573 -1.972 -3.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -16.951 -1.181 -5.204 1.00 0.00 H new ATOM 486 N GLU A 34 -13.357 1.034 -3.144 1.00 0.00 N ATOM 487 CA GLU A 34 -12.987 2.430 -2.942 1.00 0.00 C ATOM 488 C GLU A 34 -12.006 2.571 -1.782 1.00 0.00 C ATOM 489 O GLU A 34 -10.934 3.159 -1.929 1.00 0.00 O ATOM 490 CB GLU A 34 -14.233 3.278 -2.676 1.00 0.00 C ATOM 491 CG GLU A 34 -15.246 3.243 -3.808 1.00 0.00 C ATOM 492 CD GLU A 34 -16.053 1.959 -3.828 1.00 0.00 C ATOM 493 OE1 GLU A 34 -16.821 1.727 -2.871 1.00 0.00 O ATOM 494 OE2 GLU A 34 -15.917 1.187 -4.800 1.00 0.00 O ATOM 0 H GLU A 34 -14.353 0.842 -3.040 1.00 0.00 H new ATOM 0 HA GLU A 34 -12.502 2.785 -3.851 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -14.711 2.929 -1.761 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -13.929 4.310 -2.503 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -15.923 4.092 -3.711 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -14.726 3.356 -4.759 1.00 0.00 H new ATOM 501 N HIS A 35 -12.381 2.028 -0.628 1.00 0.00 N ATOM 502 CA HIS A 35 -11.534 2.092 0.558 1.00 0.00 C ATOM 503 C HIS A 35 -10.069 1.873 0.192 1.00 0.00 C ATOM 504 O HIS A 35 -9.182 2.542 0.722 1.00 0.00 O ATOM 505 CB HIS A 35 -11.977 1.048 1.584 1.00 0.00 C ATOM 506 CG HIS A 35 -10.872 0.585 2.482 1.00 0.00 C ATOM 507 ND1 HIS A 35 -10.311 1.381 3.458 1.00 0.00 N ATOM 508 CD2 HIS A 35 -10.225 -0.602 2.549 1.00 0.00 C ATOM 509 CE1 HIS A 35 -9.366 0.705 4.086 1.00 0.00 C ATOM 510 NE2 HIS A 35 -9.293 -0.502 3.553 1.00 0.00 N ATOM 0 H HIS A 35 -13.265 1.539 -0.489 1.00 0.00 H new ATOM 0 HA HIS A 35 -11.637 3.086 0.994 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -12.778 1.466 2.193 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -12.392 0.188 1.059 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -10.583 2.342 3.663 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -10.408 -1.467 1.928 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -8.757 1.076 4.897 1.00 0.00 H new ATOM 518 N GLU A 36 -9.824 0.933 -0.715 1.00 0.00 N ATOM 519 CA GLU A 36 -8.466 0.627 -1.149 1.00 0.00 C ATOM 520 C GLU A 36 -7.813 1.846 -1.793 1.00 0.00 C ATOM 521 O GLU A 36 -6.691 2.217 -1.448 1.00 0.00 O ATOM 522 CB GLU A 36 -8.475 -0.543 -2.136 1.00 0.00 C ATOM 523 CG GLU A 36 -8.581 -1.903 -1.467 1.00 0.00 C ATOM 524 CD GLU A 36 -10.017 -2.353 -1.285 1.00 0.00 C ATOM 525 OE1 GLU A 36 -10.671 -2.679 -2.298 1.00 0.00 O ATOM 526 OE2 GLU A 36 -10.488 -2.379 -0.128 1.00 0.00 O ATOM 0 H GLU A 36 -10.547 0.371 -1.163 1.00 0.00 H new ATOM 0 HA GLU A 36 -7.885 0.348 -0.270 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -9.311 -0.420 -2.825 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -7.563 -0.511 -2.733 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -8.046 -2.641 -2.065 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -8.090 -1.865 -0.495 1.00 0.00 H new ATOM 533 N ASP A 37 -8.522 2.463 -2.732 1.00 0.00 N ATOM 534 CA ASP A 37 -8.012 3.640 -3.425 1.00 0.00 C ATOM 535 C ASP A 37 -7.249 4.548 -2.465 1.00 0.00 C ATOM 536 O ASP A 37 -6.103 4.918 -2.723 1.00 0.00 O ATOM 537 CB ASP A 37 -9.161 4.414 -4.074 1.00 0.00 C ATOM 538 CG ASP A 37 -9.713 3.711 -5.299 1.00 0.00 C ATOM 539 OD1 ASP A 37 -9.037 3.730 -6.349 1.00 0.00 O ATOM 540 OD2 ASP A 37 -10.821 3.143 -5.207 1.00 0.00 O ATOM 0 H ASP A 37 -9.451 2.168 -3.031 1.00 0.00 H new ATOM 0 HA ASP A 37 -7.325 3.304 -4.202 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -9.960 4.550 -3.346 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -8.813 5.408 -4.355 1.00 0.00 H new ATOM 545 N TYR A 38 -7.892 4.904 -1.359 1.00 0.00 N ATOM 546 CA TYR A 38 -7.276 5.772 -0.362 1.00 0.00 C ATOM 547 C TYR A 38 -6.322 4.984 0.530 1.00 0.00 C ATOM 548 O TYR A 38 -5.219 5.439 0.834 1.00 0.00 O ATOM 549 CB TYR A 38 -8.351 6.447 0.491 1.00 0.00 C ATOM 550 CG TYR A 38 -9.652 6.676 -0.243 1.00 0.00 C ATOM 551 CD1 TYR A 38 -10.622 5.682 -0.303 1.00 0.00 C ATOM 552 CD2 TYR A 38 -9.912 7.884 -0.877 1.00 0.00 C ATOM 553 CE1 TYR A 38 -11.813 5.887 -0.974 1.00 0.00 C ATOM 554 CE2 TYR A 38 -11.100 8.098 -1.549 1.00 0.00 C ATOM 555 CZ TYR A 38 -12.047 7.096 -1.595 1.00 0.00 C ATOM 556 OH TYR A 38 -13.231 7.305 -2.264 1.00 0.00 O ATOM 0 H TYR A 38 -8.840 4.605 -1.130 1.00 0.00 H new ATOM 0 HA TYR A 38 -6.705 6.538 -0.886 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -8.543 5.833 1.371 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -7.972 7.405 0.848 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -10.442 4.734 0.183 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -9.172 8.670 -0.844 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -12.556 5.104 -1.012 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -11.286 9.044 -2.035 1.00 0.00 H new ATOM 0 HH TYR A 38 -13.237 8.208 -2.644 1.00 0.00 H new ATOM 566 N CYS A 39 -6.754 3.798 0.946 1.00 0.00 N ATOM 567 CA CYS A 39 -5.941 2.945 1.804 1.00 0.00 C ATOM 568 C CYS A 39 -4.466 3.041 1.425 1.00 0.00 C ATOM 569 O CYS A 39 -3.616 3.336 2.264 1.00 0.00 O ATOM 570 CB CYS A 39 -6.411 1.492 1.706 1.00 0.00 C ATOM 571 SG CYS A 39 -5.798 0.421 3.046 1.00 0.00 S ATOM 0 H CYS A 39 -7.664 3.406 0.702 1.00 0.00 H new ATOM 0 HA CYS A 39 -6.057 3.289 2.832 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -7.501 1.473 1.710 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -6.088 1.080 0.750 1.00 0.00 H new ATOM 576 N GLY A 40 -4.170 2.788 0.153 1.00 0.00 N ATOM 577 CA GLY A 40 -2.798 2.851 -0.315 1.00 0.00 C ATOM 578 C GLY A 40 -2.203 4.239 -0.184 1.00 0.00 C ATOM 579 O GLY A 40 -1.135 4.411 0.403 1.00 0.00 O ATOM 0 H GLY A 40 -4.856 2.541 -0.561 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.192 2.144 0.251 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.759 2.539 -1.359 1.00 0.00 H new ATOM 583 N ALA A 41 -2.895 5.232 -0.733 1.00 0.00 N ATOM 584 CA ALA A 41 -2.429 6.612 -0.674 1.00 0.00 C ATOM 585 C ALA A 41 -1.889 6.950 0.711 1.00 0.00 C ATOM 586 O ALA A 41 -0.955 7.741 0.848 1.00 0.00 O ATOM 587 CB ALA A 41 -3.554 7.565 -1.052 1.00 0.00 C ATOM 0 H ALA A 41 -3.780 5.106 -1.224 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.615 6.726 -1.390 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -3.192 8.592 -1.004 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.891 7.346 -2.065 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -4.385 7.440 -0.358 1.00 0.00 H new ATOM 593 N ARG A 42 -2.483 6.348 1.736 1.00 0.00 N ATOM 594 CA ARG A 42 -2.063 6.587 3.111 1.00 0.00 C ATOM 595 C ARG A 42 -0.565 6.342 3.273 1.00 0.00 C ATOM 596 O ARG A 42 0.013 5.492 2.594 1.00 0.00 O ATOM 597 CB ARG A 42 -2.844 5.687 4.070 1.00 0.00 C ATOM 598 CG ARG A 42 -4.335 5.980 4.103 1.00 0.00 C ATOM 599 CD ARG A 42 -5.133 4.762 4.543 1.00 0.00 C ATOM 600 NE ARG A 42 -5.260 4.688 5.996 1.00 0.00 N ATOM 601 CZ ARG A 42 -5.766 3.639 6.636 1.00 0.00 C ATOM 602 NH1 ARG A 42 -6.188 2.583 5.955 1.00 0.00 N ATOM 603 NH2 ARG A 42 -5.848 3.646 7.960 1.00 0.00 N ATOM 0 H ARG A 42 -3.257 5.691 1.640 1.00 0.00 H new ATOM 0 HA ARG A 42 -2.271 7.630 3.351 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -2.693 4.647 3.782 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -2.438 5.802 5.075 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -4.529 6.809 4.784 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -4.667 6.296 3.114 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -6.125 4.797 4.093 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -4.648 3.858 4.175 1.00 0.00 H new ATOM 0 HE ARG A 42 -4.943 5.484 6.549 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -6.125 2.574 4.937 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -6.576 1.779 6.449 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -5.523 4.457 8.487 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -6.236 2.841 8.451 1.00 0.00 H new ATOM 617 N THR A 43 0.059 7.093 4.175 1.00 0.00 N ATOM 618 CA THR A 43 1.488 6.959 4.424 1.00 0.00 C ATOM 619 C THR A 43 1.758 6.541 5.865 1.00 0.00 C ATOM 620 O THR A 43 1.151 7.067 6.797 1.00 0.00 O ATOM 621 CB THR A 43 2.235 8.275 4.135 1.00 0.00 C ATOM 622 OG1 THR A 43 1.694 9.331 4.936 1.00 0.00 O ATOM 623 CG2 THR A 43 2.130 8.644 2.663 1.00 0.00 C ATOM 0 H THR A 43 -0.404 7.801 4.745 1.00 0.00 H new ATOM 0 HA THR A 43 1.855 6.186 3.749 1.00 0.00 H new ATOM 0 HB THR A 43 3.287 8.133 4.384 1.00 0.00 H new ATOM 0 HG1 THR A 43 2.175 10.164 4.748 1.00 0.00 H new ATOM 0 HG21 THR A 43 2.665 9.576 2.483 1.00 0.00 H new ATOM 0 HG22 THR A 43 2.568 7.851 2.057 1.00 0.00 H new ATOM 0 HG23 THR A 43 1.081 8.769 2.393 1.00 0.00 H new ATOM 631 N GLU A 44 2.674 5.593 6.040 1.00 0.00 N ATOM 632 CA GLU A 44 3.023 5.106 7.369 1.00 0.00 C ATOM 633 C GLU A 44 4.434 5.543 7.755 1.00 0.00 C ATOM 634 O GLU A 44 5.213 5.983 6.909 1.00 0.00 O ATOM 635 CB GLU A 44 2.919 3.580 7.420 1.00 0.00 C ATOM 636 CG GLU A 44 1.490 3.066 7.358 1.00 0.00 C ATOM 637 CD GLU A 44 0.581 3.745 8.363 1.00 0.00 C ATOM 638 OE1 GLU A 44 1.064 4.092 9.461 1.00 0.00 O ATOM 639 OE2 GLU A 44 -0.614 3.931 8.051 1.00 0.00 O ATOM 0 H GLU A 44 3.187 5.148 5.279 1.00 0.00 H new ATOM 0 HA GLU A 44 2.320 5.536 8.082 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.485 3.158 6.590 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.385 3.223 8.338 1.00 0.00 H new ATOM 0 HG2 GLU A 44 1.095 3.222 6.354 1.00 0.00 H new ATOM 0 HG3 GLU A 44 1.486 1.991 7.539 1.00 0.00 H new ATOM 646 N LEU A 45 4.754 5.419 9.038 1.00 0.00 N ATOM 647 CA LEU A 45 6.070 5.801 9.539 1.00 0.00 C ATOM 648 C LEU A 45 7.045 4.632 9.455 1.00 0.00 C ATOM 649 O LEU A 45 6.812 3.572 10.037 1.00 0.00 O ATOM 650 CB LEU A 45 5.965 6.290 10.984 1.00 0.00 C ATOM 651 CG LEU A 45 7.275 6.727 11.642 1.00 0.00 C ATOM 652 CD1 LEU A 45 7.769 8.031 11.034 1.00 0.00 C ATOM 653 CD2 LEU A 45 7.094 6.872 13.146 1.00 0.00 C ATOM 0 H LEU A 45 4.120 5.057 9.751 1.00 0.00 H new ATOM 0 HA LEU A 45 6.448 6.611 8.915 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.270 7.129 11.013 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.528 5.493 11.585 1.00 0.00 H new ATOM 0 HG LEU A 45 8.025 5.958 11.459 1.00 0.00 H new ATOM 0 HD11 LEU A 45 8.702 8.326 11.515 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.939 7.893 9.966 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.021 8.809 11.185 1.00 0.00 H new ATOM 0 HD21 LEU A 45 8.036 7.183 13.597 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.329 7.621 13.350 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.787 5.916 13.569 1.00 0.00 H new ATOM 665 N CYS A 46 8.140 4.832 8.728 1.00 0.00 N ATOM 666 CA CYS A 46 9.153 3.795 8.569 1.00 0.00 C ATOM 667 C CYS A 46 10.013 3.678 9.824 1.00 0.00 C ATOM 668 O CYS A 46 10.076 4.601 10.635 1.00 0.00 O ATOM 669 CB CYS A 46 10.037 4.099 7.358 1.00 0.00 C ATOM 670 SG CYS A 46 11.288 2.821 7.012 1.00 0.00 S ATOM 0 H CYS A 46 8.348 5.703 8.240 1.00 0.00 H new ATOM 0 HA CYS A 46 8.643 2.845 8.409 1.00 0.00 H new ATOM 0 HB2 CYS A 46 9.403 4.219 6.480 1.00 0.00 H new ATOM 0 HB3 CYS A 46 10.541 5.052 7.520 1.00 0.00 H new ATOM 675 N GLY A 47 10.675 2.535 9.977 1.00 0.00 N ATOM 676 CA GLY A 47 11.523 2.318 11.134 1.00 0.00 C ATOM 677 C GLY A 47 12.984 2.593 10.842 1.00 0.00 C ATOM 678 O GLY A 47 13.732 3.010 11.726 1.00 0.00 O ATOM 0 H GLY A 47 10.639 1.756 9.320 1.00 0.00 H new ATOM 0 HA2 GLY A 47 11.191 2.961 11.949 1.00 0.00 H new ATOM 0 HA3 GLY A 47 11.411 1.289 11.474 1.00 0.00 H new ATOM 682 N ASN A 48 13.393 2.359 9.600 1.00 0.00 N ATOM 683 CA ASN A 48 14.776 2.583 9.194 1.00 0.00 C ATOM 684 C ASN A 48 15.080 4.075 9.098 1.00 0.00 C ATOM 685 O ASN A 48 15.883 4.606 9.865 1.00 0.00 O ATOM 686 CB ASN A 48 15.050 1.907 7.849 1.00 0.00 C ATOM 687 CG ASN A 48 15.146 0.399 7.969 1.00 0.00 C ATOM 688 OD1 ASN A 48 14.670 -0.190 8.940 1.00 0.00 O ATOM 689 ND2 ASN A 48 15.764 -0.235 6.979 1.00 0.00 N ATOM 0 H ASN A 48 12.786 2.014 8.856 1.00 0.00 H new ATOM 0 HA ASN A 48 15.427 2.146 9.952 1.00 0.00 H new ATOM 0 HB2 ASN A 48 14.255 2.163 7.148 1.00 0.00 H new ATOM 0 HB3 ASN A 48 15.979 2.296 7.433 1.00 0.00 H new ATOM 0 HD21 ASN A 48 15.859 -1.250 7.004 1.00 0.00 H new ATOM 0 HD22 ASN A 48 16.144 0.293 6.193 1.00 0.00 H new ATOM 696 N CYS A 49 14.431 4.745 8.152 1.00 0.00 N ATOM 697 CA CYS A 49 14.631 6.176 7.954 1.00 0.00 C ATOM 698 C CYS A 49 13.771 6.984 8.922 1.00 0.00 C ATOM 699 O CYS A 49 14.255 7.904 9.580 1.00 0.00 O ATOM 700 CB CYS A 49 14.298 6.564 6.513 1.00 0.00 C ATOM 701 SG CYS A 49 12.638 6.048 5.968 1.00 0.00 S ATOM 0 H CYS A 49 13.762 4.320 7.510 1.00 0.00 H new ATOM 0 HA CYS A 49 15.679 6.402 8.151 1.00 0.00 H new ATOM 0 HB2 CYS A 49 14.382 7.646 6.411 1.00 0.00 H new ATOM 0 HB3 CYS A 49 15.040 6.122 5.848 1.00 0.00 H new ATOM 706 N GLY A 50 12.491 6.632 9.003 1.00 0.00 N ATOM 707 CA GLY A 50 11.584 7.333 9.892 1.00 0.00 C ATOM 708 C GLY A 50 10.806 8.424 9.184 1.00 0.00 C ATOM 709 O GLY A 50 10.610 9.511 9.729 1.00 0.00 O ATOM 0 H GLY A 50 12.067 5.874 8.469 1.00 0.00 H new ATOM 0 HA2 GLY A 50 10.886 6.620 10.330 1.00 0.00 H new ATOM 0 HA3 GLY A 50 12.151 7.770 10.714 1.00 0.00 H new ATOM 713 N ARG A 51 10.362 8.136 7.965 1.00 0.00 N ATOM 714 CA ARG A 51 9.603 9.102 7.180 1.00 0.00 C ATOM 715 C ARG A 51 8.298 8.491 6.679 1.00 0.00 C ATOM 716 O ARG A 51 8.177 7.272 6.562 1.00 0.00 O ATOM 717 CB ARG A 51 10.436 9.595 5.994 1.00 0.00 C ATOM 718 CG ARG A 51 10.380 8.674 4.787 1.00 0.00 C ATOM 719 CD ARG A 51 11.589 8.865 3.884 1.00 0.00 C ATOM 720 NE ARG A 51 11.296 8.515 2.496 1.00 0.00 N ATOM 721 CZ ARG A 51 10.761 9.361 1.622 1.00 0.00 C ATOM 722 NH1 ARG A 51 10.462 10.599 1.991 1.00 0.00 N ATOM 723 NH2 ARG A 51 10.525 8.968 0.377 1.00 0.00 N ATOM 0 H ARG A 51 10.515 7.241 7.500 1.00 0.00 H new ATOM 0 HA ARG A 51 9.364 9.948 7.825 1.00 0.00 H new ATOM 0 HB2 ARG A 51 10.086 10.585 5.702 1.00 0.00 H new ATOM 0 HB3 ARG A 51 11.474 9.704 6.310 1.00 0.00 H new ATOM 0 HG2 ARG A 51 10.334 7.637 5.121 1.00 0.00 H new ATOM 0 HG3 ARG A 51 9.468 8.868 4.222 1.00 0.00 H new ATOM 0 HD2 ARG A 51 11.919 9.903 3.934 1.00 0.00 H new ATOM 0 HD3 ARG A 51 12.413 8.251 4.247 1.00 0.00 H new ATOM 0 HE ARG A 51 11.514 7.570 2.181 1.00 0.00 H new ATOM 0 HH11 ARG A 51 10.643 10.904 2.948 1.00 0.00 H new ATOM 0 HH12 ARG A 51 10.051 11.247 1.318 1.00 0.00 H new ATOM 0 HH21 ARG A 51 10.754 8.016 0.091 1.00 0.00 H new ATOM 0 HH22 ARG A 51 10.114 9.618 -0.294 1.00 0.00 H new ATOM 737 N ASN A 52 7.324 9.347 6.386 1.00 0.00 N ATOM 738 CA ASN A 52 6.027 8.891 5.899 1.00 0.00 C ATOM 739 C ASN A 52 6.142 8.341 4.480 1.00 0.00 C ATOM 740 O ASN A 52 6.537 9.052 3.557 1.00 0.00 O ATOM 741 CB ASN A 52 5.014 10.037 5.933 1.00 0.00 C ATOM 742 CG ASN A 52 5.162 10.901 7.170 1.00 0.00 C ATOM 743 OD1 ASN A 52 6.079 11.716 7.266 1.00 0.00 O ATOM 744 ND2 ASN A 52 4.255 10.727 8.125 1.00 0.00 N ATOM 0 H ASN A 52 7.408 10.359 6.477 1.00 0.00 H new ATOM 0 HA ASN A 52 5.682 8.091 6.554 1.00 0.00 H new ATOM 0 HB2 ASN A 52 5.139 10.655 5.044 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.004 9.627 5.898 1.00 0.00 H new ATOM 0 HD21 ASN A 52 4.302 11.281 8.980 1.00 0.00 H new ATOM 0 HD22 ASN A 52 3.511 10.040 8.003 1.00 0.00 H new ATOM 751 N VAL A 53 5.792 7.069 4.314 1.00 0.00 N ATOM 752 CA VAL A 53 5.853 6.423 3.008 1.00 0.00 C ATOM 753 C VAL A 53 4.522 5.768 2.656 1.00 0.00 C ATOM 754 O VAL A 53 3.833 5.231 3.524 1.00 0.00 O ATOM 755 CB VAL A 53 6.965 5.358 2.961 1.00 0.00 C ATOM 756 CG1 VAL A 53 7.005 4.688 1.596 1.00 0.00 C ATOM 757 CG2 VAL A 53 8.312 5.980 3.298 1.00 0.00 C ATOM 0 H VAL A 53 5.463 6.466 5.068 1.00 0.00 H new ATOM 0 HA VAL A 53 6.075 7.202 2.279 1.00 0.00 H new ATOM 0 HB VAL A 53 6.745 4.595 3.708 1.00 0.00 H new ATOM 0 HG11 VAL A 53 7.797 3.939 1.582 1.00 0.00 H new ATOM 0 HG12 VAL A 53 6.047 4.207 1.398 1.00 0.00 H new ATOM 0 HG13 VAL A 53 7.200 5.437 0.829 1.00 0.00 H new ATOM 0 HG21 VAL A 53 9.086 5.214 3.260 1.00 0.00 H new ATOM 0 HG22 VAL A 53 8.542 6.764 2.576 1.00 0.00 H new ATOM 0 HG23 VAL A 53 8.274 6.409 4.299 1.00 0.00 H new ATOM 767 N LEU A 54 4.166 5.815 1.377 1.00 0.00 N ATOM 768 CA LEU A 54 2.917 5.226 0.908 1.00 0.00 C ATOM 769 C LEU A 54 2.846 3.745 1.266 1.00 0.00 C ATOM 770 O LEU A 54 3.856 3.041 1.246 1.00 0.00 O ATOM 771 CB LEU A 54 2.783 5.404 -0.605 1.00 0.00 C ATOM 772 CG LEU A 54 3.031 6.815 -1.140 1.00 0.00 C ATOM 773 CD1 LEU A 54 3.611 6.759 -2.544 1.00 0.00 C ATOM 774 CD2 LEU A 54 1.743 7.625 -1.124 1.00 0.00 C ATOM 0 H LEU A 54 4.725 6.255 0.646 1.00 0.00 H new ATOM 0 HA LEU A 54 2.093 5.740 1.402 1.00 0.00 H new ATOM 0 HB2 LEU A 54 3.481 4.724 -1.094 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.779 5.097 -0.899 1.00 0.00 H new ATOM 0 HG LEU A 54 3.754 7.308 -0.490 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.781 7.772 -2.908 1.00 0.00 H new ATOM 0 HD12 LEU A 54 4.556 6.217 -2.526 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.912 6.248 -3.206 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.938 8.626 -1.508 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.997 7.135 -1.750 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.370 7.695 -0.102 1.00 0.00 H new ATOM 786 N VAL A 55 1.645 3.277 1.591 1.00 0.00 N ATOM 787 CA VAL A 55 1.441 1.878 1.950 1.00 0.00 C ATOM 788 C VAL A 55 1.860 0.953 0.813 1.00 0.00 C ATOM 789 O VAL A 55 2.637 0.019 1.012 1.00 0.00 O ATOM 790 CB VAL A 55 -0.031 1.600 2.308 1.00 0.00 C ATOM 791 CG1 VAL A 55 -0.278 0.104 2.426 1.00 0.00 C ATOM 792 CG2 VAL A 55 -0.409 2.314 3.597 1.00 0.00 C ATOM 0 H VAL A 55 0.799 3.846 1.613 1.00 0.00 H new ATOM 0 HA VAL A 55 2.063 1.680 2.823 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.661 1.986 1.507 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -1.323 -0.073 2.679 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.048 -0.379 1.476 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.360 -0.310 3.207 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.452 2.107 3.835 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.226 1.959 4.409 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.272 3.388 3.472 1.00 0.00 H new ATOM 802 N LYS A 56 1.339 1.218 -0.380 1.00 0.00 N ATOM 803 CA LYS A 56 1.659 0.411 -1.552 1.00 0.00 C ATOM 804 C LYS A 56 3.129 0.562 -1.932 1.00 0.00 C ATOM 805 O LYS A 56 3.725 -0.343 -2.515 1.00 0.00 O ATOM 806 CB LYS A 56 0.772 0.813 -2.732 1.00 0.00 C ATOM 807 CG LYS A 56 0.970 2.251 -3.179 1.00 0.00 C ATOM 808 CD LYS A 56 0.018 3.194 -2.464 1.00 0.00 C ATOM 809 CE LYS A 56 -0.302 4.414 -3.314 1.00 0.00 C ATOM 810 NZ LYS A 56 0.912 5.232 -3.589 1.00 0.00 N ATOM 0 H LYS A 56 0.693 1.986 -0.561 1.00 0.00 H new ATOM 0 HA LYS A 56 1.471 -0.634 -1.305 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.976 0.149 -3.572 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -0.273 0.667 -2.457 1.00 0.00 H new ATOM 0 HG2 LYS A 56 1.999 2.555 -2.985 1.00 0.00 H new ATOM 0 HG3 LYS A 56 0.814 2.323 -4.255 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -0.904 2.666 -2.221 1.00 0.00 H new ATOM 0 HD3 LYS A 56 0.461 3.513 -1.520 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -0.745 4.094 -4.257 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -1.045 5.027 -2.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 0.712 6.231 -3.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 1.696 4.902 -2.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 1.177 5.135 -4.590 1.00 0.00 H new ATOM 824 N ASP A 57 3.707 1.710 -1.597 1.00 0.00 N ATOM 825 CA ASP A 57 5.107 1.979 -1.901 1.00 0.00 C ATOM 826 C ASP A 57 6.025 1.245 -0.928 1.00 0.00 C ATOM 827 O ASP A 57 7.130 0.836 -1.288 1.00 0.00 O ATOM 828 CB ASP A 57 5.384 3.482 -1.847 1.00 0.00 C ATOM 829 CG ASP A 57 6.792 3.828 -2.289 1.00 0.00 C ATOM 830 OD1 ASP A 57 7.217 3.334 -3.354 1.00 0.00 O ATOM 831 OD2 ASP A 57 7.469 4.592 -1.569 1.00 0.00 O ATOM 0 H ASP A 57 3.227 2.470 -1.114 1.00 0.00 H new ATOM 0 HA ASP A 57 5.310 1.616 -2.909 1.00 0.00 H new ATOM 0 HB2 ASP A 57 4.668 4.003 -2.483 1.00 0.00 H new ATOM 0 HB3 ASP A 57 5.227 3.841 -0.830 1.00 0.00 H new ATOM 836 N LEU A 58 5.561 1.082 0.306 1.00 0.00 N ATOM 837 CA LEU A 58 6.341 0.398 1.332 1.00 0.00 C ATOM 838 C LEU A 58 6.920 -0.907 0.796 1.00 0.00 C ATOM 839 O LEU A 58 7.883 -1.443 1.345 1.00 0.00 O ATOM 840 CB LEU A 58 5.471 0.117 2.559 1.00 0.00 C ATOM 841 CG LEU A 58 5.391 1.238 3.596 1.00 0.00 C ATOM 842 CD1 LEU A 58 4.357 0.908 4.660 1.00 0.00 C ATOM 843 CD2 LEU A 58 6.754 1.477 4.229 1.00 0.00 C ATOM 0 H LEU A 58 4.649 1.414 0.620 1.00 0.00 H new ATOM 0 HA LEU A 58 7.166 1.049 1.620 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.460 -0.109 2.219 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.850 -0.779 3.051 1.00 0.00 H new ATOM 0 HG LEU A 58 5.082 2.153 3.091 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.314 1.717 5.389 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.379 0.789 4.193 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.635 -0.019 5.162 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.678 2.278 4.964 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.092 0.564 4.720 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.469 1.760 3.457 1.00 0.00 H new ATOM 855 N LYS A 59 6.328 -1.413 -0.281 1.00 0.00 N ATOM 856 CA LYS A 59 6.787 -2.654 -0.895 1.00 0.00 C ATOM 857 C LYS A 59 8.206 -2.503 -1.431 1.00 0.00 C ATOM 858 O LYS A 59 9.073 -3.338 -1.170 1.00 0.00 O ATOM 859 CB LYS A 59 5.843 -3.066 -2.027 1.00 0.00 C ATOM 860 CG LYS A 59 5.833 -2.094 -3.194 1.00 0.00 C ATOM 861 CD LYS A 59 4.646 -2.336 -4.111 1.00 0.00 C ATOM 862 CE LYS A 59 4.518 -1.241 -5.159 1.00 0.00 C ATOM 863 NZ LYS A 59 3.184 -1.259 -5.820 1.00 0.00 N ATOM 0 H LYS A 59 5.529 -0.983 -0.747 1.00 0.00 H new ATOM 0 HA LYS A 59 6.788 -3.431 -0.130 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.132 -4.053 -2.389 1.00 0.00 H new ATOM 0 HB3 LYS A 59 4.831 -3.156 -1.631 1.00 0.00 H new ATOM 0 HG2 LYS A 59 5.800 -1.072 -2.817 1.00 0.00 H new ATOM 0 HG3 LYS A 59 6.758 -2.195 -3.761 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.757 -3.302 -4.604 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.732 -2.383 -3.519 1.00 0.00 H new ATOM 0 HE2 LYS A 59 4.678 -0.270 -4.691 1.00 0.00 H new ATOM 0 HE3 LYS A 59 5.297 -1.365 -5.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 3.137 -0.498 -6.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.041 -2.176 -6.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.441 -1.115 -5.107 1.00 0.00 H new ATOM 877 N THR A 60 8.440 -1.431 -2.183 1.00 0.00 N ATOM 878 CA THR A 60 9.754 -1.171 -2.756 1.00 0.00 C ATOM 879 C THR A 60 10.393 0.062 -2.128 1.00 0.00 C ATOM 880 O THR A 60 11.330 0.638 -2.682 1.00 0.00 O ATOM 881 CB THR A 60 9.672 -0.973 -4.282 1.00 0.00 C ATOM 882 OG1 THR A 60 10.990 -0.861 -4.832 1.00 0.00 O ATOM 883 CG2 THR A 60 8.867 0.272 -4.623 1.00 0.00 C ATOM 0 H THR A 60 7.735 -0.729 -2.409 1.00 0.00 H new ATOM 0 HA THR A 60 10.371 -2.044 -2.543 1.00 0.00 H new ATOM 0 HB THR A 60 9.171 -1.840 -4.713 1.00 0.00 H new ATOM 0 HG1 THR A 60 11.539 -0.294 -4.252 1.00 0.00 H new ATOM 0 HG21 THR A 60 8.823 0.391 -5.706 1.00 0.00 H new ATOM 0 HG22 THR A 60 7.856 0.171 -4.227 1.00 0.00 H new ATOM 0 HG23 THR A 60 9.344 1.146 -4.181 1.00 0.00 H new ATOM 891 N HIS A 61 9.881 0.463 -0.969 1.00 0.00 N ATOM 892 CA HIS A 61 10.404 1.629 -0.265 1.00 0.00 C ATOM 893 C HIS A 61 11.801 1.352 0.281 1.00 0.00 C ATOM 894 O HIS A 61 12.698 2.193 0.212 1.00 0.00 O ATOM 895 CB HIS A 61 9.467 2.023 0.877 1.00 0.00 C ATOM 896 CG HIS A 61 10.107 2.915 1.896 1.00 0.00 C ATOM 897 ND1 HIS A 61 10.636 4.151 1.589 1.00 0.00 N ATOM 898 CD2 HIS A 61 10.300 2.744 3.225 1.00 0.00 C ATOM 899 CE1 HIS A 61 11.128 4.701 2.685 1.00 0.00 C ATOM 900 NE2 HIS A 61 10.936 3.868 3.692 1.00 0.00 N ATOM 0 H HIS A 61 9.105 -0.002 -0.497 1.00 0.00 H new ATOM 0 HA HIS A 61 10.467 2.454 -0.975 1.00 0.00 H new ATOM 0 HB2 HIS A 61 8.594 2.527 0.462 1.00 0.00 H new ATOM 0 HB3 HIS A 61 9.109 1.119 1.371 1.00 0.00 H new ATOM 0 HD1 HIS A 61 10.646 4.574 0.661 1.00 0.00 H new ATOM 0 HD2 HIS A 61 10.008 1.884 3.809 1.00 0.00 H new ATOM 0 HE1 HIS A 61 11.606 5.667 2.747 1.00 0.00 H new ATOM 908 N PRO A 62 11.993 0.147 0.836 1.00 0.00 N ATOM 909 CA PRO A 62 13.279 -0.268 1.405 1.00 0.00 C ATOM 910 C PRO A 62 14.447 0.021 0.468 1.00 0.00 C ATOM 911 O PRO A 62 15.552 0.323 0.916 1.00 0.00 O ATOM 912 CB PRO A 62 13.110 -1.777 1.599 1.00 0.00 C ATOM 913 CG PRO A 62 11.642 -1.978 1.751 1.00 0.00 C ATOM 914 CD PRO A 62 10.968 -0.905 0.952 1.00 0.00 C ATOM 0 HA PRO A 62 13.511 0.270 2.324 1.00 0.00 H new ATOM 0 HB2 PRO A 62 13.499 -2.332 0.745 1.00 0.00 H new ATOM 0 HB3 PRO A 62 13.650 -2.126 2.479 1.00 0.00 H new ATOM 0 HG2 PRO A 62 11.349 -2.966 1.395 1.00 0.00 H new ATOM 0 HG3 PRO A 62 11.351 -1.918 2.800 1.00 0.00 H new ATOM 0 HD2 PRO A 62 10.658 -1.271 -0.027 1.00 0.00 H new ATOM 0 HD3 PRO A 62 10.073 -0.537 1.453 1.00 0.00 H new ATOM 922 N GLU A 63 14.193 -0.073 -0.833 1.00 0.00 N ATOM 923 CA GLU A 63 15.225 0.179 -1.832 1.00 0.00 C ATOM 924 C GLU A 63 15.695 1.629 -1.775 1.00 0.00 C ATOM 925 O GLU A 63 16.894 1.904 -1.731 1.00 0.00 O ATOM 926 CB GLU A 63 14.700 -0.144 -3.233 1.00 0.00 C ATOM 927 CG GLU A 63 14.321 -1.604 -3.419 1.00 0.00 C ATOM 928 CD GLU A 63 15.501 -2.466 -3.824 1.00 0.00 C ATOM 929 OE1 GLU A 63 16.309 -2.010 -4.661 1.00 0.00 O ATOM 930 OE2 GLU A 63 15.617 -3.595 -3.305 1.00 0.00 O ATOM 0 H GLU A 63 13.283 -0.322 -1.220 1.00 0.00 H new ATOM 0 HA GLU A 63 16.074 -0.469 -1.612 1.00 0.00 H new ATOM 0 HB2 GLU A 63 13.828 0.478 -3.438 1.00 0.00 H new ATOM 0 HB3 GLU A 63 15.461 0.122 -3.967 1.00 0.00 H new ATOM 0 HG2 GLU A 63 13.898 -1.987 -2.490 1.00 0.00 H new ATOM 0 HG3 GLU A 63 13.543 -1.680 -4.179 1.00 0.00 H new ATOM 937 N VAL A 64 14.741 2.555 -1.777 1.00 0.00 N ATOM 938 CA VAL A 64 15.056 3.978 -1.725 1.00 0.00 C ATOM 939 C VAL A 64 15.190 4.459 -0.285 1.00 0.00 C ATOM 940 O VAL A 64 15.599 5.592 -0.033 1.00 0.00 O ATOM 941 CB VAL A 64 13.979 4.817 -2.438 1.00 0.00 C ATOM 942 CG1 VAL A 64 13.801 4.350 -3.874 1.00 0.00 C ATOM 943 CG2 VAL A 64 12.662 4.749 -1.679 1.00 0.00 C ATOM 0 H VAL A 64 13.744 2.345 -1.814 1.00 0.00 H new ATOM 0 HA VAL A 64 16.008 4.111 -2.239 1.00 0.00 H new ATOM 0 HB VAL A 64 14.307 5.856 -2.458 1.00 0.00 H new ATOM 0 HG11 VAL A 64 13.036 4.955 -4.361 1.00 0.00 H new ATOM 0 HG12 VAL A 64 14.744 4.456 -4.411 1.00 0.00 H new ATOM 0 HG13 VAL A 64 13.495 3.304 -3.881 1.00 0.00 H new ATOM 0 HG21 VAL A 64 11.912 5.347 -2.197 1.00 0.00 H new ATOM 0 HG22 VAL A 64 12.326 3.713 -1.625 1.00 0.00 H new ATOM 0 HG23 VAL A 64 12.803 5.137 -0.670 1.00 0.00 H new ATOM 953 N CYS A 65 14.841 3.589 0.658 1.00 0.00 N ATOM 954 CA CYS A 65 14.922 3.924 2.075 1.00 0.00 C ATOM 955 C CYS A 65 16.374 3.967 2.542 1.00 0.00 C ATOM 956 O CYS A 65 17.040 2.936 2.628 1.00 0.00 O ATOM 957 CB CYS A 65 14.137 2.907 2.906 1.00 0.00 C ATOM 958 SG CYS A 65 14.359 3.088 4.705 1.00 0.00 S ATOM 0 H CYS A 65 14.500 2.647 0.466 1.00 0.00 H new ATOM 0 HA CYS A 65 14.485 4.913 2.215 1.00 0.00 H new ATOM 0 HB2 CYS A 65 13.077 3.002 2.670 1.00 0.00 H new ATOM 0 HB3 CYS A 65 14.440 1.902 2.612 1.00 0.00 H new ATOM 963 N GLY A 66 16.858 5.168 2.843 1.00 0.00 N ATOM 964 CA GLY A 66 18.227 5.323 3.298 1.00 0.00 C ATOM 965 C GLY A 66 19.064 6.155 2.345 1.00 0.00 C ATOM 966 O GLY A 66 19.886 6.964 2.776 1.00 0.00 O ATOM 0 H GLY A 66 16.326 6.036 2.780 1.00 0.00 H new ATOM 0 HA2 GLY A 66 18.229 5.792 4.282 1.00 0.00 H new ATOM 0 HA3 GLY A 66 18.682 4.339 3.413 1.00 0.00 H new ATOM 970 N ARG A 67 18.856 5.955 1.048 1.00 0.00 N ATOM 971 CA ARG A 67 19.599 6.691 0.033 1.00 0.00 C ATOM 972 C ARG A 67 18.849 7.953 -0.382 1.00 0.00 C ATOM 973 O ARG A 67 19.452 9.008 -0.578 1.00 0.00 O ATOM 974 CB ARG A 67 19.845 5.806 -1.191 1.00 0.00 C ATOM 975 CG ARG A 67 18.594 5.540 -2.012 1.00 0.00 C ATOM 976 CD ARG A 67 18.882 4.612 -3.182 1.00 0.00 C ATOM 977 NE ARG A 67 19.342 3.299 -2.738 1.00 0.00 N ATOM 978 CZ ARG A 67 20.084 2.489 -3.485 1.00 0.00 C ATOM 979 NH1 ARG A 67 20.448 2.856 -4.706 1.00 0.00 N ATOM 980 NH2 ARG A 67 20.462 1.309 -3.011 1.00 0.00 N ATOM 0 H ARG A 67 18.179 5.289 0.675 1.00 0.00 H new ATOM 0 HA ARG A 67 20.558 6.983 0.461 1.00 0.00 H new ATOM 0 HB2 ARG A 67 20.593 6.280 -1.827 1.00 0.00 H new ATOM 0 HB3 ARG A 67 20.263 4.854 -0.863 1.00 0.00 H new ATOM 0 HG2 ARG A 67 17.827 5.098 -1.376 1.00 0.00 H new ATOM 0 HG3 ARG A 67 18.194 6.483 -2.384 1.00 0.00 H new ATOM 0 HD2 ARG A 67 17.980 4.496 -3.783 1.00 0.00 H new ATOM 0 HD3 ARG A 67 19.638 5.063 -3.825 1.00 0.00 H new ATOM 0 HE ARG A 67 19.079 2.987 -1.803 1.00 0.00 H new ATOM 0 HH11 ARG A 67 20.158 3.762 -5.074 1.00 0.00 H new ATOM 0 HH12 ARG A 67 21.018 2.232 -5.277 1.00 0.00 H new ATOM 0 HH21 ARG A 67 20.183 1.023 -2.072 1.00 0.00 H new ATOM 0 HH22 ARG A 67 21.032 0.688 -3.585 1.00 0.00 H new ATOM 994 N GLU A 68 17.532 7.837 -0.513 1.00 0.00 N ATOM 995 CA GLU A 68 16.701 8.969 -0.906 1.00 0.00 C ATOM 996 C GLU A 68 16.167 9.704 0.320 1.00 0.00 C ATOM 997 O GLU A 68 15.783 9.083 1.311 1.00 0.00 O ATOM 998 CB GLU A 68 15.535 8.497 -1.778 1.00 0.00 C ATOM 999 CG GLU A 68 15.928 8.215 -3.219 1.00 0.00 C ATOM 1000 CD GLU A 68 14.727 8.054 -4.130 1.00 0.00 C ATOM 1001 OE1 GLU A 68 13.620 7.792 -3.614 1.00 0.00 O ATOM 1002 OE2 GLU A 68 14.893 8.191 -5.360 1.00 0.00 O ATOM 0 H GLU A 68 17.017 6.971 -0.353 1.00 0.00 H new ATOM 0 HA GLU A 68 17.320 9.658 -1.481 1.00 0.00 H new ATOM 0 HB2 GLU A 68 15.109 7.593 -1.343 1.00 0.00 H new ATOM 0 HB3 GLU A 68 14.752 9.256 -1.765 1.00 0.00 H new ATOM 0 HG2 GLU A 68 16.552 9.029 -3.587 1.00 0.00 H new ATOM 0 HG3 GLU A 68 16.532 7.308 -3.256 1.00 0.00 H new ATOM 1009 N GLY A 69 16.147 11.031 0.246 1.00 0.00 N ATOM 1010 CA GLY A 69 15.660 11.829 1.356 1.00 0.00 C ATOM 1011 C GLY A 69 16.579 12.990 1.681 1.00 0.00 C ATOM 1012 O GLY A 69 17.801 12.848 1.661 1.00 0.00 O ATOM 0 H GLY A 69 16.459 11.568 -0.563 1.00 0.00 H new ATOM 0 HA2 GLY A 69 14.667 12.211 1.117 1.00 0.00 H new ATOM 0 HA3 GLY A 69 15.554 11.195 2.237 1.00 0.00 H new ATOM 1016 N SER A 70 15.989 14.143 1.981 1.00 0.00 N ATOM 1017 CA SER A 70 16.763 15.336 2.307 1.00 0.00 C ATOM 1018 C SER A 70 17.733 15.057 3.451 1.00 0.00 C ATOM 1019 O SER A 70 18.901 15.441 3.397 1.00 0.00 O ATOM 1020 CB SER A 70 15.829 16.488 2.684 1.00 0.00 C ATOM 1021 OG SER A 70 16.515 17.728 2.662 1.00 0.00 O ATOM 0 H SER A 70 14.978 14.276 2.005 1.00 0.00 H new ATOM 0 HA SER A 70 17.339 15.619 1.426 1.00 0.00 H new ATOM 0 HB2 SER A 70 14.989 16.521 1.990 1.00 0.00 H new ATOM 0 HB3 SER A 70 15.415 16.315 3.678 1.00 0.00 H new ATOM 0 HG SER A 70 15.897 18.448 2.905 1.00 0.00 H new ATOM 1027 N GLY A 71 17.240 14.387 4.488 1.00 0.00 N ATOM 1028 CA GLY A 71 18.075 14.068 5.631 1.00 0.00 C ATOM 1029 C GLY A 71 17.271 13.877 6.902 1.00 0.00 C ATOM 1030 O GLY A 71 16.119 13.443 6.873 1.00 0.00 O ATOM 0 H GLY A 71 16.277 14.059 4.557 1.00 0.00 H new ATOM 0 HA2 GLY A 71 18.640 13.159 5.422 1.00 0.00 H new ATOM 0 HA3 GLY A 71 18.801 14.867 5.781 1.00 0.00 H new ATOM 1034 N PRO A 72 17.883 14.204 8.049 1.00 0.00 N ATOM 1035 CA PRO A 72 17.235 14.073 9.358 1.00 0.00 C ATOM 1036 C PRO A 72 16.114 15.087 9.553 1.00 0.00 C ATOM 1037 O PRO A 72 16.337 16.182 10.070 1.00 0.00 O ATOM 1038 CB PRO A 72 18.374 14.338 10.346 1.00 0.00 C ATOM 1039 CG PRO A 72 19.344 15.179 9.589 1.00 0.00 C ATOM 1040 CD PRO A 72 19.255 14.727 8.158 1.00 0.00 C ATOM 0 HA PRO A 72 16.762 13.099 9.483 1.00 0.00 H new ATOM 0 HB2 PRO A 72 18.014 14.853 11.236 1.00 0.00 H new ATOM 0 HB3 PRO A 72 18.833 13.407 10.680 1.00 0.00 H new ATOM 0 HG2 PRO A 72 19.098 16.237 9.680 1.00 0.00 H new ATOM 0 HG3 PRO A 72 20.355 15.053 9.976 1.00 0.00 H new ATOM 0 HD2 PRO A 72 19.427 15.551 7.465 1.00 0.00 H new ATOM 0 HD3 PRO A 72 19.996 13.960 7.932 1.00 0.00 H new ATOM 1048 N SER A 73 14.907 14.716 9.137 1.00 0.00 N ATOM 1049 CA SER A 73 13.751 15.595 9.264 1.00 0.00 C ATOM 1050 C SER A 73 13.247 15.627 10.704 1.00 0.00 C ATOM 1051 O SER A 73 13.086 16.696 11.293 1.00 0.00 O ATOM 1052 CB SER A 73 12.630 15.136 8.330 1.00 0.00 C ATOM 1053 OG SER A 73 12.352 13.758 8.505 1.00 0.00 O ATOM 0 H SER A 73 14.705 13.812 8.709 1.00 0.00 H new ATOM 0 HA SER A 73 14.059 16.602 8.983 1.00 0.00 H new ATOM 0 HB2 SER A 73 11.730 15.719 8.524 1.00 0.00 H new ATOM 0 HB3 SER A 73 12.915 15.324 7.295 1.00 0.00 H new ATOM 0 HG SER A 73 11.631 13.490 7.898 1.00 0.00 H new ATOM 1059 N SER A 74 13.001 14.447 11.264 1.00 0.00 N ATOM 1060 CA SER A 74 12.513 14.338 12.634 1.00 0.00 C ATOM 1061 C SER A 74 13.149 13.148 13.345 1.00 0.00 C ATOM 1062 O SER A 74 13.770 12.293 12.714 1.00 0.00 O ATOM 1063 CB SER A 74 10.989 14.198 12.644 1.00 0.00 C ATOM 1064 OG SER A 74 10.457 14.520 13.918 1.00 0.00 O ATOM 0 H SER A 74 13.132 13.553 10.790 1.00 0.00 H new ATOM 0 HA SER A 74 12.792 15.247 13.166 1.00 0.00 H new ATOM 0 HB2 SER A 74 10.555 14.853 11.889 1.00 0.00 H new ATOM 0 HB3 SER A 74 10.712 13.178 12.378 1.00 0.00 H new ATOM 0 HG SER A 74 9.482 14.425 13.899 1.00 0.00 H new ATOM 1070 N GLY A 75 12.989 13.099 14.664 1.00 0.00 N ATOM 1071 CA GLY A 75 13.554 12.011 15.440 1.00 0.00 C ATOM 1072 C GLY A 75 12.631 10.810 15.510 1.00 0.00 C ATOM 1073 O GLY A 75 12.244 10.415 16.608 1.00 0.00 O ATOM 0 H GLY A 75 12.478 13.794 15.209 1.00 0.00 H new ATOM 0 HA2 GLY A 75 14.505 11.710 15.000 1.00 0.00 H new ATOM 0 HA3 GLY A 75 13.767 12.361 16.450 1.00 0.00 H new TER 1077 GLY A 75 HETATM 1078 ZN ZN A 401 -7.415 -1.159 3.615 1.00 0.00 ZN HETATM 1079 ZN ZN A 601 12.210 3.909 5.186 1.00 0.00 ZN