USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 439 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 42 HIS HD1 : A 42 HIS ND1 : A 200 ZNZN :(H bumps) USER MOD NoAdj-H: A 48 HIS HE2 : A 48 HIS NE2 : A 400 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ -120:sc= 0.0933 (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 3:sc= 0.494 USER MOD Single : A 6 SER OG : rot 22:sc= 0.82 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.346 X(o=-0.35,f=-0.046) USER MOD Single : A 16 ASN : amide:sc= -0.829 K(o=-0.83,f=-2.8!) USER MOD Single : A 20 SER OG : rot -158:sc= 0.322 USER MOD Single : A 22 ASN : amide:sc= -0.222 K(o=-0.22,f=-2.3!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl 158:sc= -0.033 (180deg=-1.05) USER MOD Single : A 31 LYS NZ :NH3+ -152:sc= -0.112 (180deg=-1) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 73:sc= 1.35 USER MOD Single : A 37 THR OG1 : rot -171:sc= 0.00544 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot -55:sc= 0.398 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 32:sc= 0.435 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -31.177 17.153 -25.571 1.00 0.00 N ATOM 2 CA GLY A 1 -30.738 15.772 -25.494 1.00 0.00 C ATOM 3 C GLY A 1 -30.088 15.442 -24.165 1.00 0.00 C ATOM 4 O GLY A 1 -29.952 16.309 -23.302 1.00 0.00 O ATOM 0 H1 GLY A 1 -32.204 17.182 -25.729 1.00 0.00 H new ATOM 0 H2 GLY A 1 -30.950 17.640 -24.680 1.00 0.00 H new ATOM 0 H3 GLY A 1 -30.692 17.628 -26.359 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -31.592 15.113 -25.650 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -30.031 15.574 -26.300 1.00 0.00 H new ATOM 8 N SER A 2 -29.688 14.186 -23.999 1.00 0.00 N ATOM 9 CA SER A 2 -29.054 13.743 -22.763 1.00 0.00 C ATOM 10 C SER A 2 -27.572 14.106 -22.752 1.00 0.00 C ATOM 11 O SER A 2 -27.018 14.531 -23.766 1.00 0.00 O ATOM 12 CB SER A 2 -29.221 12.231 -22.593 1.00 0.00 C ATOM 13 OG SER A 2 -30.436 11.924 -21.931 1.00 0.00 O ATOM 0 H SER A 2 -29.792 13.457 -24.705 1.00 0.00 H new ATOM 0 HA SER A 2 -29.541 14.252 -21.931 1.00 0.00 H new ATOM 0 HB2 SER A 2 -29.203 11.748 -23.570 1.00 0.00 H new ATOM 0 HB3 SER A 2 -28.382 11.831 -22.024 1.00 0.00 H new ATOM 0 HG SER A 2 -30.520 10.952 -21.836 1.00 0.00 H new ATOM 19 N SER A 3 -26.936 13.936 -21.598 1.00 0.00 N ATOM 20 CA SER A 3 -25.519 14.249 -21.452 1.00 0.00 C ATOM 21 C SER A 3 -24.958 13.644 -20.169 1.00 0.00 C ATOM 22 O SER A 3 -25.643 13.578 -19.149 1.00 0.00 O ATOM 23 CB SER A 3 -25.308 15.764 -21.449 1.00 0.00 C ATOM 24 OG SER A 3 -26.038 16.379 -20.401 1.00 0.00 O ATOM 0 H SER A 3 -27.379 13.583 -20.750 1.00 0.00 H new ATOM 0 HA SER A 3 -24.988 13.816 -22.300 1.00 0.00 H new ATOM 0 HB2 SER A 3 -24.247 15.986 -21.336 1.00 0.00 H new ATOM 0 HB3 SER A 3 -25.621 16.180 -22.407 1.00 0.00 H new ATOM 0 HG SER A 3 -25.885 17.347 -20.420 1.00 0.00 H new ATOM 30 N GLY A 4 -23.705 13.202 -20.229 1.00 0.00 N ATOM 31 CA GLY A 4 -23.072 12.608 -19.066 1.00 0.00 C ATOM 32 C GLY A 4 -22.331 13.627 -18.224 1.00 0.00 C ATOM 33 O GLY A 4 -22.196 14.786 -18.617 1.00 0.00 O ATOM 0 H GLY A 4 -23.118 13.245 -21.062 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -23.830 12.118 -18.454 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -22.376 11.835 -19.391 1.00 0.00 H new ATOM 37 N SER A 5 -21.851 13.196 -17.062 1.00 0.00 N ATOM 38 CA SER A 5 -21.125 14.082 -16.160 1.00 0.00 C ATOM 39 C SER A 5 -20.212 13.284 -15.233 1.00 0.00 C ATOM 40 O SER A 5 -20.660 12.373 -14.537 1.00 0.00 O ATOM 41 CB SER A 5 -22.104 14.918 -15.334 1.00 0.00 C ATOM 42 OG SER A 5 -22.838 15.806 -16.158 1.00 0.00 O ATOM 0 H SER A 5 -21.952 12.239 -16.723 1.00 0.00 H new ATOM 0 HA SER A 5 -20.509 14.749 -16.763 1.00 0.00 H new ATOM 0 HB2 SER A 5 -22.790 14.259 -14.802 1.00 0.00 H new ATOM 0 HB3 SER A 5 -21.557 15.484 -14.580 1.00 0.00 H new ATOM 0 HG SER A 5 -22.595 15.659 -17.096 1.00 0.00 H new ATOM 48 N SER A 6 -18.930 13.634 -15.231 1.00 0.00 N ATOM 49 CA SER A 6 -17.952 12.948 -14.393 1.00 0.00 C ATOM 50 C SER A 6 -16.764 13.857 -14.091 1.00 0.00 C ATOM 51 O SER A 6 -16.071 14.313 -14.999 1.00 0.00 O ATOM 52 CB SER A 6 -17.469 11.669 -15.079 1.00 0.00 C ATOM 53 OG SER A 6 -16.676 11.968 -16.215 1.00 0.00 O ATOM 0 H SER A 6 -18.544 14.388 -15.799 1.00 0.00 H new ATOM 0 HA SER A 6 -18.436 12.686 -13.452 1.00 0.00 H new ATOM 0 HB2 SER A 6 -16.890 11.071 -14.375 1.00 0.00 H new ATOM 0 HB3 SER A 6 -18.327 11.067 -15.379 1.00 0.00 H new ATOM 0 HG SER A 6 -16.312 12.874 -16.131 1.00 0.00 H new ATOM 59 N GLY A 7 -16.536 14.115 -12.807 1.00 0.00 N ATOM 60 CA GLY A 7 -15.432 14.967 -12.406 1.00 0.00 C ATOM 61 C GLY A 7 -14.134 14.199 -12.249 1.00 0.00 C ATOM 62 O GLY A 7 -14.116 13.056 -11.794 1.00 0.00 O ATOM 0 H GLY A 7 -17.096 13.749 -12.037 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -15.297 15.755 -13.147 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -15.678 15.455 -11.463 1.00 0.00 H new ATOM 66 N PRO A 8 -13.017 14.834 -12.633 1.00 0.00 N ATOM 67 CA PRO A 8 -11.688 14.221 -12.542 1.00 0.00 C ATOM 68 C PRO A 8 -11.219 14.063 -11.100 1.00 0.00 C ATOM 69 O PRO A 8 -10.742 15.015 -10.484 1.00 0.00 O ATOM 70 CB PRO A 8 -10.790 15.209 -13.291 1.00 0.00 C ATOM 71 CG PRO A 8 -11.494 16.518 -13.183 1.00 0.00 C ATOM 72 CD PRO A 8 -12.964 16.198 -13.184 1.00 0.00 C ATOM 0 HA PRO A 8 -11.675 13.213 -12.956 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -9.796 15.256 -12.846 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -10.660 14.914 -14.332 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -11.209 17.040 -12.270 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -11.236 17.170 -14.017 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -13.529 16.901 -12.571 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -13.384 16.242 -14.189 1.00 0.00 H new ATOM 80 N SER A 9 -11.359 12.853 -10.566 1.00 0.00 N ATOM 81 CA SER A 9 -10.953 12.571 -9.195 1.00 0.00 C ATOM 82 C SER A 9 -11.107 11.087 -8.877 1.00 0.00 C ATOM 83 O SER A 9 -11.973 10.409 -9.429 1.00 0.00 O ATOM 84 CB SER A 9 -11.782 13.403 -8.214 1.00 0.00 C ATOM 85 OG SER A 9 -13.168 13.163 -8.386 1.00 0.00 O ATOM 0 H SER A 9 -11.751 12.053 -11.063 1.00 0.00 H new ATOM 0 HA SER A 9 -9.902 12.840 -9.091 1.00 0.00 H new ATOM 0 HB2 SER A 9 -11.492 13.161 -7.192 1.00 0.00 H new ATOM 0 HB3 SER A 9 -11.572 14.462 -8.363 1.00 0.00 H new ATOM 0 HG SER A 9 -13.676 13.705 -7.747 1.00 0.00 H new ATOM 91 N ARG A 10 -10.259 10.589 -7.982 1.00 0.00 N ATOM 92 CA ARG A 10 -10.299 9.185 -7.591 1.00 0.00 C ATOM 93 C ARG A 10 -11.455 8.921 -6.631 1.00 0.00 C ATOM 94 O ARG A 10 -11.786 9.744 -5.777 1.00 0.00 O ATOM 95 CB ARG A 10 -8.977 8.778 -6.938 1.00 0.00 C ATOM 96 CG ARG A 10 -8.765 9.387 -5.561 1.00 0.00 C ATOM 97 CD ARG A 10 -7.820 8.543 -4.719 1.00 0.00 C ATOM 98 NE ARG A 10 -6.481 8.478 -5.298 1.00 0.00 N ATOM 99 CZ ARG A 10 -5.542 9.393 -5.082 1.00 0.00 C ATOM 100 NH1 ARG A 10 -5.794 10.436 -4.304 1.00 0.00 N ATOM 101 NH2 ARG A 10 -4.347 9.264 -5.645 1.00 0.00 N ATOM 0 H ARG A 10 -9.537 11.137 -7.515 1.00 0.00 H new ATOM 0 HA ARG A 10 -10.452 8.587 -8.490 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -8.942 7.692 -6.855 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -8.154 9.075 -7.588 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -8.361 10.394 -5.665 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -9.724 9.480 -5.051 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -7.760 8.960 -3.714 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -8.223 7.535 -4.623 1.00 0.00 H new ATOM 0 HE ARG A 10 -6.254 7.687 -5.901 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -6.711 10.538 -3.869 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -5.071 11.137 -4.140 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -4.149 8.462 -6.244 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -3.626 9.967 -5.479 1.00 0.00 H new ATOM 115 N PRO A 11 -12.086 7.746 -6.774 1.00 0.00 N ATOM 116 CA PRO A 11 -13.215 7.346 -5.928 1.00 0.00 C ATOM 117 C PRO A 11 -12.790 7.055 -4.493 1.00 0.00 C ATOM 118 O PRO A 11 -11.689 7.415 -4.076 1.00 0.00 O ATOM 119 CB PRO A 11 -13.729 6.071 -6.603 1.00 0.00 C ATOM 120 CG PRO A 11 -12.549 5.525 -7.329 1.00 0.00 C ATOM 121 CD PRO A 11 -11.746 6.717 -7.771 1.00 0.00 C ATOM 0 HA PRO A 11 -13.964 8.134 -5.848 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -14.106 5.359 -5.869 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -14.549 6.288 -7.287 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -11.959 4.875 -6.682 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -12.860 4.925 -8.184 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -10.678 6.502 -7.778 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -12.014 7.031 -8.780 1.00 0.00 H new ATOM 129 N VAL A 12 -13.669 6.399 -3.742 1.00 0.00 N ATOM 130 CA VAL A 12 -13.384 6.058 -2.353 1.00 0.00 C ATOM 131 C VAL A 12 -12.508 4.813 -2.262 1.00 0.00 C ATOM 132 O VAL A 12 -12.741 3.938 -1.427 1.00 0.00 O ATOM 133 CB VAL A 12 -14.680 5.821 -1.556 1.00 0.00 C ATOM 134 CG1 VAL A 12 -15.504 7.097 -1.483 1.00 0.00 C ATOM 135 CG2 VAL A 12 -15.487 4.690 -2.176 1.00 0.00 C ATOM 0 H VAL A 12 -14.584 6.093 -4.072 1.00 0.00 H new ATOM 0 HA VAL A 12 -12.852 6.905 -1.921 1.00 0.00 H new ATOM 0 HB VAL A 12 -14.413 5.532 -0.540 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -16.416 6.909 -0.916 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -14.924 7.877 -0.990 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -15.764 7.421 -2.491 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -16.400 4.536 -1.600 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -15.745 4.948 -3.203 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -14.895 3.775 -2.170 1.00 0.00 H new ATOM 145 N ARG A 13 -11.500 4.741 -3.124 1.00 0.00 N ATOM 146 CA ARG A 13 -10.590 3.602 -3.142 1.00 0.00 C ATOM 147 C ARG A 13 -9.878 3.455 -1.800 1.00 0.00 C ATOM 148 O ARG A 13 -9.285 4.399 -1.277 1.00 0.00 O ATOM 149 CB ARG A 13 -9.561 3.762 -4.262 1.00 0.00 C ATOM 150 CG ARG A 13 -10.025 3.210 -5.600 1.00 0.00 C ATOM 151 CD ARG A 13 -9.741 1.721 -5.716 1.00 0.00 C ATOM 152 NE ARG A 13 -10.658 1.060 -6.642 1.00 0.00 N ATOM 153 CZ ARG A 13 -10.385 -0.089 -7.251 1.00 0.00 C ATOM 154 NH1 ARG A 13 -9.229 -0.701 -7.033 1.00 0.00 N ATOM 155 NH2 ARG A 13 -11.270 -0.628 -8.079 1.00 0.00 N ATOM 0 H ARG A 13 -11.292 5.458 -3.819 1.00 0.00 H new ATOM 0 HA ARG A 13 -11.177 2.702 -3.324 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -9.324 4.820 -4.378 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -8.639 3.259 -3.971 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -11.094 3.388 -5.717 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -9.523 3.742 -6.408 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -8.715 1.573 -6.054 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -9.823 1.258 -4.732 1.00 0.00 H new ATOM 0 HE ARG A 13 -11.556 1.505 -6.831 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -8.546 -0.290 -6.396 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -9.022 -1.583 -7.502 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -12.161 -0.160 -8.248 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -11.060 -1.510 -8.546 1.00 0.00 H new ATOM 169 N PRO A 14 -9.938 2.243 -1.228 1.00 0.00 N ATOM 170 CA PRO A 14 -9.305 1.944 0.060 1.00 0.00 C ATOM 171 C PRO A 14 -7.783 1.933 -0.031 1.00 0.00 C ATOM 172 O PRO A 14 -7.208 2.388 -1.019 1.00 0.00 O ATOM 173 CB PRO A 14 -9.830 0.546 0.396 1.00 0.00 C ATOM 174 CG PRO A 14 -10.164 -0.061 -0.923 1.00 0.00 C ATOM 175 CD PRO A 14 -10.628 1.072 -1.795 1.00 0.00 C ATOM 0 HA PRO A 14 -9.539 2.696 0.814 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -9.079 -0.042 0.924 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -10.707 0.597 1.042 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -9.295 -0.556 -1.356 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -10.942 -0.817 -0.819 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -10.358 0.913 -2.839 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -11.711 1.188 -1.761 1.00 0.00 H new ATOM 183 N ASN A 15 -7.136 1.411 1.006 1.00 0.00 N ATOM 184 CA ASN A 15 -5.680 1.342 1.043 1.00 0.00 C ATOM 185 C ASN A 15 -5.210 -0.077 1.349 1.00 0.00 C ATOM 186 O ASN A 15 -4.163 -0.276 1.962 1.00 0.00 O ATOM 187 CB ASN A 15 -5.129 2.311 2.091 1.00 0.00 C ATOM 188 CG ASN A 15 -6.063 2.475 3.275 1.00 0.00 C ATOM 189 OD1 ASN A 15 -5.877 1.848 4.318 1.00 0.00 O ATOM 190 ND2 ASN A 15 -7.074 3.321 3.117 1.00 0.00 N ATOM 0 H ASN A 15 -7.597 1.030 1.832 1.00 0.00 H new ATOM 0 HA ASN A 15 -5.303 1.627 0.061 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -4.162 1.951 2.442 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -4.959 3.283 1.629 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -7.736 3.473 3.878 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -7.189 3.819 2.234 1.00 0.00 H new ATOM 197 N ASN A 16 -5.994 -1.060 0.918 1.00 0.00 N ATOM 198 CA ASN A 16 -5.659 -2.461 1.146 1.00 0.00 C ATOM 199 C ASN A 16 -5.008 -3.072 -0.091 1.00 0.00 C ATOM 200 O ASN A 16 -5.676 -3.710 -0.906 1.00 0.00 O ATOM 201 CB ASN A 16 -6.913 -3.253 1.520 1.00 0.00 C ATOM 202 CG ASN A 16 -8.163 -2.700 0.864 1.00 0.00 C ATOM 203 OD1 ASN A 16 -9.057 -2.187 1.538 1.00 0.00 O ATOM 204 ND2 ASN A 16 -8.232 -2.803 -0.459 1.00 0.00 N ATOM 0 H ASN A 16 -6.866 -0.912 0.409 1.00 0.00 H new ATOM 0 HA ASN A 16 -4.948 -2.509 1.971 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -6.782 -4.295 1.227 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -7.038 -3.240 2.603 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -9.049 -2.449 -0.956 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -7.468 -3.236 -0.977 1.00 0.00 H new ATOM 211 N ARG A 17 -3.700 -2.875 -0.224 1.00 0.00 N ATOM 212 CA ARG A 17 -2.959 -3.406 -1.362 1.00 0.00 C ATOM 213 C ARG A 17 -1.459 -3.198 -1.178 1.00 0.00 C ATOM 214 O ARG A 17 -1.029 -2.260 -0.506 1.00 0.00 O ATOM 215 CB ARG A 17 -3.423 -2.738 -2.657 1.00 0.00 C ATOM 216 CG ARG A 17 -4.642 -3.398 -3.281 1.00 0.00 C ATOM 217 CD ARG A 17 -4.693 -3.167 -4.783 1.00 0.00 C ATOM 218 NE ARG A 17 -5.377 -1.922 -5.122 1.00 0.00 N ATOM 219 CZ ARG A 17 -4.771 -0.740 -5.169 1.00 0.00 C ATOM 220 NH1 ARG A 17 -3.476 -0.644 -4.901 1.00 0.00 N ATOM 221 NH2 ARG A 17 -5.461 0.348 -5.486 1.00 0.00 N ATOM 0 H ARG A 17 -3.132 -2.352 0.442 1.00 0.00 H new ATOM 0 HA ARG A 17 -3.155 -4.476 -1.424 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -3.651 -1.692 -2.454 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -2.604 -2.752 -3.377 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -4.622 -4.469 -3.077 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -5.547 -3.003 -2.820 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -3.678 -3.143 -5.181 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -5.203 -4.003 -5.261 1.00 0.00 H new ATOM 0 HE ARG A 17 -6.374 -1.962 -5.334 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -2.942 -1.479 -4.658 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -3.014 0.264 -4.938 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -6.457 0.278 -5.694 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -4.995 1.255 -5.522 1.00 0.00 H new ATOM 235 N CYS A 18 -0.666 -4.078 -1.780 1.00 0.00 N ATOM 236 CA CYS A 18 0.786 -3.993 -1.683 1.00 0.00 C ATOM 237 C CYS A 18 1.355 -3.123 -2.800 1.00 0.00 C ATOM 238 O CYS A 18 1.022 -3.302 -3.972 1.00 0.00 O ATOM 239 CB CYS A 18 1.405 -5.390 -1.743 1.00 0.00 C ATOM 240 SG CYS A 18 3.191 -5.429 -1.384 1.00 0.00 S ATOM 0 H CYS A 18 -1.005 -4.859 -2.341 1.00 0.00 H new ATOM 0 HA CYS A 18 1.035 -3.534 -0.726 1.00 0.00 H new ATOM 0 HB2 CYS A 18 0.888 -6.035 -1.032 1.00 0.00 H new ATOM 0 HB3 CYS A 18 1.236 -5.808 -2.735 1.00 0.00 H new ATOM 245 N PHE A 19 2.217 -2.182 -2.429 1.00 0.00 N ATOM 246 CA PHE A 19 2.833 -1.284 -3.399 1.00 0.00 C ATOM 247 C PHE A 19 3.991 -1.971 -4.116 1.00 0.00 C ATOM 248 O PHE A 19 4.863 -1.311 -4.682 1.00 0.00 O ATOM 249 CB PHE A 19 3.328 -0.013 -2.706 1.00 0.00 C ATOM 250 CG PHE A 19 3.528 1.142 -3.645 1.00 0.00 C ATOM 251 CD1 PHE A 19 3.448 0.960 -5.016 1.00 0.00 C ATOM 252 CD2 PHE A 19 3.796 2.411 -3.156 1.00 0.00 C ATOM 253 CE1 PHE A 19 3.633 2.021 -5.882 1.00 0.00 C ATOM 254 CE2 PHE A 19 3.981 3.476 -4.017 1.00 0.00 C ATOM 255 CZ PHE A 19 3.898 3.281 -5.382 1.00 0.00 C ATOM 0 H PHE A 19 2.505 -2.022 -1.464 1.00 0.00 H new ATOM 0 HA PHE A 19 2.079 -1.015 -4.139 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.611 0.274 -1.937 1.00 0.00 H new ATOM 0 HB3 PHE A 19 4.270 -0.227 -2.201 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.239 -0.022 -5.413 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.861 2.569 -2.090 1.00 0.00 H new ATOM 0 HE1 PHE A 19 3.570 1.865 -6.949 1.00 0.00 H new ATOM 0 HE2 PHE A 19 4.190 4.460 -3.623 1.00 0.00 H new ATOM 0 HZ PHE A 19 4.040 4.112 -6.057 1.00 0.00 H new ATOM 265 N SER A 20 3.994 -3.299 -4.087 1.00 0.00 N ATOM 266 CA SER A 20 5.047 -4.076 -4.730 1.00 0.00 C ATOM 267 C SER A 20 4.455 -5.209 -5.563 1.00 0.00 C ATOM 268 O SER A 20 4.995 -5.576 -6.606 1.00 0.00 O ATOM 269 CB SER A 20 6.003 -4.646 -3.680 1.00 0.00 C ATOM 270 OG SER A 20 7.121 -3.795 -3.494 1.00 0.00 O ATOM 0 H SER A 20 3.279 -3.860 -3.625 1.00 0.00 H new ATOM 0 HA SER A 20 5.601 -3.412 -5.393 1.00 0.00 H new ATOM 0 HB2 SER A 20 5.476 -4.772 -2.734 1.00 0.00 H new ATOM 0 HB3 SER A 20 6.342 -5.634 -3.990 1.00 0.00 H new ATOM 0 HG SER A 20 7.864 -4.309 -3.114 1.00 0.00 H new ATOM 276 N CYS A 21 3.340 -5.760 -5.093 1.00 0.00 N ATOM 277 CA CYS A 21 2.673 -6.851 -5.793 1.00 0.00 C ATOM 278 C CYS A 21 1.191 -6.546 -5.990 1.00 0.00 C ATOM 279 O CYS A 21 0.469 -7.310 -6.628 1.00 0.00 O ATOM 280 CB CYS A 21 2.836 -8.158 -5.014 1.00 0.00 C ATOM 281 SG CYS A 21 2.516 -8.005 -3.228 1.00 0.00 S ATOM 0 H CYS A 21 2.880 -5.469 -4.231 1.00 0.00 H new ATOM 0 HA CYS A 21 3.137 -6.958 -6.773 1.00 0.00 H new ATOM 0 HB2 CYS A 21 2.159 -8.904 -5.431 1.00 0.00 H new ATOM 0 HB3 CYS A 21 3.850 -8.531 -5.160 1.00 0.00 H new ATOM 286 N ASN A 22 0.746 -5.422 -5.437 1.00 0.00 N ATOM 287 CA ASN A 22 -0.650 -5.014 -5.552 1.00 0.00 C ATOM 288 C ASN A 22 -1.573 -6.052 -4.922 1.00 0.00 C ATOM 289 O ASN A 22 -2.745 -6.159 -5.284 1.00 0.00 O ATOM 290 CB ASN A 22 -1.023 -4.808 -7.021 1.00 0.00 C ATOM 291 CG ASN A 22 -0.803 -3.379 -7.479 1.00 0.00 C ATOM 292 OD1 ASN A 22 -0.660 -2.469 -6.662 1.00 0.00 O ATOM 293 ND2 ASN A 22 -0.774 -3.176 -8.791 1.00 0.00 N ATOM 0 H ASN A 22 1.331 -4.778 -4.905 1.00 0.00 H new ATOM 0 HA ASN A 22 -0.773 -4.072 -5.017 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -0.430 -5.481 -7.641 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -2.069 -5.077 -7.169 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -0.629 -2.236 -9.158 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -0.897 -3.960 -9.431 1.00 0.00 H new ATOM 300 N LYS A 23 -1.037 -6.816 -3.976 1.00 0.00 N ATOM 301 CA LYS A 23 -1.812 -7.845 -3.292 1.00 0.00 C ATOM 302 C LYS A 23 -2.635 -7.243 -2.158 1.00 0.00 C ATOM 303 O LYS A 23 -2.095 -6.869 -1.116 1.00 0.00 O ATOM 304 CB LYS A 23 -0.883 -8.931 -2.743 1.00 0.00 C ATOM 305 CG LYS A 23 -1.424 -9.623 -1.504 1.00 0.00 C ATOM 306 CD LYS A 23 -0.816 -11.005 -1.327 1.00 0.00 C ATOM 307 CE LYS A 23 -0.665 -11.363 0.143 1.00 0.00 C ATOM 308 NZ LYS A 23 -1.873 -12.056 0.672 1.00 0.00 N ATOM 0 H LYS A 23 -0.068 -6.742 -3.665 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.495 -8.291 -4.015 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -0.710 -9.676 -3.519 1.00 0.00 H new ATOM 0 HB3 LYS A 23 0.084 -8.486 -2.508 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -1.211 -9.015 -0.624 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -2.508 -9.708 -1.578 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -1.445 -11.746 -1.820 1.00 0.00 H new ATOM 0 HD3 LYS A 23 0.159 -11.040 -1.813 1.00 0.00 H new ATOM 0 HE2 LYS A 23 0.207 -12.004 0.273 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -0.484 -10.457 0.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -1.731 -12.283 1.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -2.701 -11.435 0.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -2.031 -12.934 0.138 1.00 0.00 H new ATOM 322 N LYS A 24 -3.944 -7.154 -2.366 1.00 0.00 N ATOM 323 CA LYS A 24 -4.843 -6.601 -1.360 1.00 0.00 C ATOM 324 C LYS A 24 -4.456 -7.076 0.037 1.00 0.00 C ATOM 325 O LYS A 24 -4.614 -8.251 0.369 1.00 0.00 O ATOM 326 CB LYS A 24 -6.289 -6.999 -1.664 1.00 0.00 C ATOM 327 CG LYS A 24 -6.572 -8.475 -1.442 1.00 0.00 C ATOM 328 CD LYS A 24 -7.879 -8.896 -2.094 1.00 0.00 C ATOM 329 CE LYS A 24 -8.355 -10.242 -1.570 1.00 0.00 C ATOM 330 NZ LYS A 24 -9.456 -10.803 -2.401 1.00 0.00 N ATOM 0 H LYS A 24 -4.406 -7.458 -3.223 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.758 -5.515 -1.391 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.959 -6.411 -1.037 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.517 -6.745 -2.699 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.753 -9.069 -1.849 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -6.615 -8.682 -0.373 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -8.641 -8.140 -1.904 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.747 -8.951 -3.175 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -7.519 -10.942 -1.554 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -8.697 -10.131 -0.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -9.752 -11.720 -2.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -10.263 -10.148 -2.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -9.122 -10.933 -3.377 1.00 0.00 H new ATOM 344 N VAL A 25 -3.950 -6.156 0.851 1.00 0.00 N ATOM 345 CA VAL A 25 -3.543 -6.482 2.213 1.00 0.00 C ATOM 346 C VAL A 25 -4.654 -6.166 3.209 1.00 0.00 C ATOM 347 O VAL A 25 -4.401 -5.977 4.398 1.00 0.00 O ATOM 348 CB VAL A 25 -2.272 -5.712 2.618 1.00 0.00 C ATOM 349 CG1 VAL A 25 -1.075 -6.195 1.813 1.00 0.00 C ATOM 350 CG2 VAL A 25 -2.476 -4.215 2.439 1.00 0.00 C ATOM 0 H VAL A 25 -3.812 -5.179 0.592 1.00 0.00 H new ATOM 0 HA VAL A 25 -3.333 -7.551 2.234 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.072 -5.905 3.672 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.187 -5.639 2.113 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -0.918 -7.258 1.997 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -1.262 -6.034 0.751 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.568 -3.687 2.730 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -2.702 -4.001 1.394 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -3.305 -3.883 3.064 1.00 0.00 H new ATOM 360 N GLY A 26 -5.887 -6.112 2.714 1.00 0.00 N ATOM 361 CA GLY A 26 -7.019 -5.819 3.574 1.00 0.00 C ATOM 362 C GLY A 26 -6.677 -4.823 4.664 1.00 0.00 C ATOM 363 O GLY A 26 -5.994 -3.829 4.415 1.00 0.00 O ATOM 0 H GLY A 26 -6.122 -6.266 1.733 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -7.837 -5.426 2.971 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -7.374 -6.743 4.029 1.00 0.00 H new ATOM 367 N VAL A 27 -7.154 -5.087 5.876 1.00 0.00 N ATOM 368 CA VAL A 27 -6.896 -4.205 7.008 1.00 0.00 C ATOM 369 C VAL A 27 -5.787 -4.760 7.895 1.00 0.00 C ATOM 370 O VAL A 27 -5.739 -4.482 9.093 1.00 0.00 O ATOM 371 CB VAL A 27 -8.163 -3.998 7.858 1.00 0.00 C ATOM 372 CG1 VAL A 27 -9.288 -3.425 7.010 1.00 0.00 C ATOM 373 CG2 VAL A 27 -8.588 -5.306 8.508 1.00 0.00 C ATOM 0 H VAL A 27 -7.721 -5.905 6.099 1.00 0.00 H new ATOM 0 HA VAL A 27 -6.583 -3.245 6.597 1.00 0.00 H new ATOM 0 HB VAL A 27 -7.936 -3.283 8.648 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -10.175 -3.286 7.628 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -8.979 -2.465 6.597 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -9.517 -4.113 6.196 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -9.485 -5.141 9.105 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -8.797 -6.045 7.735 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -7.786 -5.670 9.151 1.00 0.00 H new ATOM 383 N MET A 28 -4.898 -5.547 7.298 1.00 0.00 N ATOM 384 CA MET A 28 -3.787 -6.140 8.034 1.00 0.00 C ATOM 385 C MET A 28 -2.483 -6.003 7.255 1.00 0.00 C ATOM 386 O MET A 28 -1.660 -6.917 7.238 1.00 0.00 O ATOM 387 CB MET A 28 -4.069 -7.616 8.323 1.00 0.00 C ATOM 388 CG MET A 28 -5.161 -7.834 9.358 1.00 0.00 C ATOM 389 SD MET A 28 -4.544 -7.740 11.050 1.00 0.00 S ATOM 390 CE MET A 28 -5.339 -6.238 11.617 1.00 0.00 C ATOM 0 H MET A 28 -4.925 -5.789 6.307 1.00 0.00 H new ATOM 0 HA MET A 28 -3.683 -5.605 8.978 1.00 0.00 H new ATOM 0 HB2 MET A 28 -4.355 -8.111 7.395 1.00 0.00 H new ATOM 0 HB3 MET A 28 -3.151 -8.092 8.669 1.00 0.00 H new ATOM 0 HG2 MET A 28 -5.943 -7.087 9.219 1.00 0.00 H new ATOM 0 HG3 MET A 28 -5.620 -8.809 9.196 1.00 0.00 H new ATOM 0 HE1 MET A 28 -5.389 -6.242 12.706 1.00 0.00 H new ATOM 0 HE2 MET A 28 -4.765 -5.374 11.283 1.00 0.00 H new ATOM 0 HE3 MET A 28 -6.348 -6.183 11.208 1.00 0.00 H new ATOM 400 N GLY A 29 -2.302 -4.854 6.610 1.00 0.00 N ATOM 401 CA GLY A 29 -1.097 -4.619 5.837 1.00 0.00 C ATOM 402 C GLY A 29 -0.007 -3.950 6.651 1.00 0.00 C ATOM 403 O GLY A 29 -0.239 -3.531 7.786 1.00 0.00 O ATOM 0 H GLY A 29 -2.969 -4.082 6.609 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.726 -5.568 5.450 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -1.337 -3.996 4.976 1.00 0.00 H new ATOM 407 N PHE A 30 1.185 -3.851 6.073 1.00 0.00 N ATOM 408 CA PHE A 30 2.316 -3.231 6.754 1.00 0.00 C ATOM 409 C PHE A 30 2.609 -1.850 6.175 1.00 0.00 C ATOM 410 O PHE A 30 3.249 -1.724 5.131 1.00 0.00 O ATOM 411 CB PHE A 30 3.557 -4.118 6.639 1.00 0.00 C ATOM 412 CG PHE A 30 3.621 -5.198 7.681 1.00 0.00 C ATOM 413 CD1 PHE A 30 4.221 -4.961 8.907 1.00 0.00 C ATOM 414 CD2 PHE A 30 3.081 -6.450 7.434 1.00 0.00 C ATOM 415 CE1 PHE A 30 4.281 -5.953 9.868 1.00 0.00 C ATOM 416 CE2 PHE A 30 3.139 -7.446 8.391 1.00 0.00 C ATOM 417 CZ PHE A 30 3.739 -7.197 9.610 1.00 0.00 C ATOM 0 H PHE A 30 1.393 -4.192 5.135 1.00 0.00 H new ATOM 0 HA PHE A 30 2.056 -3.117 7.806 1.00 0.00 H new ATOM 0 HB2 PHE A 30 3.576 -4.577 5.650 1.00 0.00 H new ATOM 0 HB3 PHE A 30 4.448 -3.495 6.718 1.00 0.00 H new ATOM 0 HD1 PHE A 30 4.647 -3.990 9.114 1.00 0.00 H new ATOM 0 HD2 PHE A 30 2.610 -6.650 6.483 1.00 0.00 H new ATOM 0 HE1 PHE A 30 4.751 -5.755 10.820 1.00 0.00 H new ATOM 0 HE2 PHE A 30 2.715 -8.418 8.186 1.00 0.00 H new ATOM 0 HZ PHE A 30 3.784 -7.973 10.360 1.00 0.00 H new ATOM 427 N LYS A 31 2.134 -0.815 6.861 1.00 0.00 N ATOM 428 CA LYS A 31 2.344 0.558 6.417 1.00 0.00 C ATOM 429 C LYS A 31 3.747 1.037 6.775 1.00 0.00 C ATOM 430 O LYS A 31 4.124 1.068 7.946 1.00 0.00 O ATOM 431 CB LYS A 31 1.302 1.484 7.047 1.00 0.00 C ATOM 432 CG LYS A 31 1.230 2.853 6.393 1.00 0.00 C ATOM 433 CD LYS A 31 0.488 3.850 7.267 1.00 0.00 C ATOM 434 CE LYS A 31 1.433 4.571 8.216 1.00 0.00 C ATOM 435 NZ LYS A 31 1.619 3.822 9.489 1.00 0.00 N ATOM 0 H LYS A 31 1.601 -0.901 7.726 1.00 0.00 H new ATOM 0 HA LYS A 31 2.236 0.583 5.333 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.323 1.010 6.986 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.531 1.608 8.105 1.00 0.00 H new ATOM 0 HG2 LYS A 31 2.239 3.218 6.199 1.00 0.00 H new ATOM 0 HG3 LYS A 31 0.730 2.770 5.428 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -0.022 4.578 6.637 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -0.280 3.331 7.841 1.00 0.00 H new ATOM 0 HE2 LYS A 31 2.399 4.708 7.731 1.00 0.00 H new ATOM 0 HE3 LYS A 31 1.041 5.565 8.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 1.842 4.489 10.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 0.745 3.308 9.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 2.401 3.144 9.382 1.00 0.00 H new ATOM 449 N CYS A 32 4.517 1.411 5.758 1.00 0.00 N ATOM 450 CA CYS A 32 5.878 1.889 5.964 1.00 0.00 C ATOM 451 C CYS A 32 5.882 3.358 6.376 1.00 0.00 C ATOM 452 O CYS A 32 4.919 4.086 6.131 1.00 0.00 O ATOM 453 CB CYS A 32 6.705 1.703 4.691 1.00 0.00 C ATOM 454 SG CYS A 32 8.397 2.370 4.798 1.00 0.00 S ATOM 0 H CYS A 32 4.220 1.392 4.782 1.00 0.00 H new ATOM 0 HA CYS A 32 6.324 1.303 6.768 1.00 0.00 H new ATOM 0 HB2 CYS A 32 6.759 0.640 4.458 1.00 0.00 H new ATOM 0 HB3 CYS A 32 6.188 2.185 3.861 1.00 0.00 H new ATOM 459 N LYS A 33 6.972 3.789 7.002 1.00 0.00 N ATOM 460 CA LYS A 33 7.104 5.171 7.447 1.00 0.00 C ATOM 461 C LYS A 33 6.846 6.140 6.297 1.00 0.00 C ATOM 462 O LYS A 33 6.339 7.243 6.503 1.00 0.00 O ATOM 463 CB LYS A 33 8.499 5.411 8.028 1.00 0.00 C ATOM 464 CG LYS A 33 8.754 4.665 9.326 1.00 0.00 C ATOM 465 CD LYS A 33 9.354 3.292 9.071 1.00 0.00 C ATOM 466 CE LYS A 33 10.038 2.743 10.314 1.00 0.00 C ATOM 467 NZ LYS A 33 10.114 1.256 10.294 1.00 0.00 N ATOM 0 H LYS A 33 7.778 3.200 7.213 1.00 0.00 H new ATOM 0 HA LYS A 33 6.359 5.349 8.223 1.00 0.00 H new ATOM 0 HB2 LYS A 33 9.246 5.110 7.293 1.00 0.00 H new ATOM 0 HB3 LYS A 33 8.633 6.479 8.200 1.00 0.00 H new ATOM 0 HG2 LYS A 33 9.428 5.247 9.955 1.00 0.00 H new ATOM 0 HG3 LYS A 33 7.819 4.558 9.875 1.00 0.00 H new ATOM 0 HD2 LYS A 33 8.570 2.605 8.752 1.00 0.00 H new ATOM 0 HD3 LYS A 33 10.074 3.354 8.255 1.00 0.00 H new ATOM 0 HE2 LYS A 33 11.044 3.157 10.388 1.00 0.00 H new ATOM 0 HE3 LYS A 33 9.494 3.067 11.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 10.587 0.921 11.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 9.153 0.860 10.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 10.655 0.947 9.461 1.00 0.00 H new ATOM 481 N CYS A 34 7.199 5.720 5.087 1.00 0.00 N ATOM 482 CA CYS A 34 7.005 6.550 3.903 1.00 0.00 C ATOM 483 C CYS A 34 5.524 6.834 3.674 1.00 0.00 C ATOM 484 O CYS A 34 5.148 7.928 3.256 1.00 0.00 O ATOM 485 CB CYS A 34 7.601 5.864 2.672 1.00 0.00 C ATOM 486 SG CYS A 34 6.848 4.252 2.281 1.00 0.00 S ATOM 0 H CYS A 34 7.621 4.810 4.900 1.00 0.00 H new ATOM 0 HA CYS A 34 7.517 7.498 4.066 1.00 0.00 H new ATOM 0 HB2 CYS A 34 7.488 6.524 1.812 1.00 0.00 H new ATOM 0 HB3 CYS A 34 8.671 5.725 2.829 1.00 0.00 H new ATOM 491 N GLY A 35 4.686 5.839 3.952 1.00 0.00 N ATOM 492 CA GLY A 35 3.255 6.001 3.770 1.00 0.00 C ATOM 493 C GLY A 35 2.694 5.063 2.720 1.00 0.00 C ATOM 494 O GLY A 35 1.679 5.361 2.091 1.00 0.00 O ATOM 0 H GLY A 35 4.973 4.924 4.300 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.749 5.823 4.719 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.043 7.031 3.483 1.00 0.00 H new ATOM 498 N SER A 36 3.357 3.927 2.529 1.00 0.00 N ATOM 499 CA SER A 36 2.921 2.945 1.543 1.00 0.00 C ATOM 500 C SER A 36 2.407 1.681 2.227 1.00 0.00 C ATOM 501 O SER A 36 2.749 1.399 3.376 1.00 0.00 O ATOM 502 CB SER A 36 4.072 2.594 0.598 1.00 0.00 C ATOM 503 OG SER A 36 4.722 3.764 0.131 1.00 0.00 O ATOM 0 H SER A 36 4.197 3.664 3.044 1.00 0.00 H new ATOM 0 HA SER A 36 2.107 3.383 0.966 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.790 1.957 1.115 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.691 2.023 -0.249 1.00 0.00 H new ATOM 0 HG SER A 36 5.259 4.150 0.854 1.00 0.00 H new ATOM 509 N THR A 37 1.582 0.923 1.511 1.00 0.00 N ATOM 510 CA THR A 37 1.018 -0.310 2.047 1.00 0.00 C ATOM 511 C THR A 37 1.652 -1.533 1.395 1.00 0.00 C ATOM 512 O THR A 37 1.800 -1.592 0.174 1.00 0.00 O ATOM 513 CB THR A 37 -0.507 -0.366 1.842 1.00 0.00 C ATOM 514 OG1 THR A 37 -1.098 0.883 2.221 1.00 0.00 O ATOM 515 CG2 THR A 37 -1.122 -1.492 2.660 1.00 0.00 C ATOM 0 H THR A 37 1.290 1.141 0.559 1.00 0.00 H new ATOM 0 HA THR A 37 1.234 -0.318 3.115 1.00 0.00 H new ATOM 0 HB THR A 37 -0.703 -0.556 0.787 1.00 0.00 H new ATOM 0 HG1 THR A 37 -2.074 0.797 2.219 1.00 0.00 H new ATOM 0 HG21 THR A 37 -2.200 -1.512 2.499 1.00 0.00 H new ATOM 0 HG22 THR A 37 -0.691 -2.444 2.350 1.00 0.00 H new ATOM 0 HG23 THR A 37 -0.916 -1.328 3.718 1.00 0.00 H new ATOM 523 N PHE A 38 2.025 -2.509 2.216 1.00 0.00 N ATOM 524 CA PHE A 38 2.644 -3.732 1.718 1.00 0.00 C ATOM 525 C PHE A 38 2.032 -4.961 2.384 1.00 0.00 C ATOM 526 O PHE A 38 1.363 -4.856 3.412 1.00 0.00 O ATOM 527 CB PHE A 38 4.154 -3.702 1.965 1.00 0.00 C ATOM 528 CG PHE A 38 4.818 -2.449 1.471 1.00 0.00 C ATOM 529 CD1 PHE A 38 5.176 -2.319 0.139 1.00 0.00 C ATOM 530 CD2 PHE A 38 5.084 -1.402 2.338 1.00 0.00 C ATOM 531 CE1 PHE A 38 5.787 -1.167 -0.320 1.00 0.00 C ATOM 532 CE2 PHE A 38 5.694 -0.247 1.885 1.00 0.00 C ATOM 533 CZ PHE A 38 6.047 -0.130 0.554 1.00 0.00 C ATOM 0 H PHE A 38 1.909 -2.477 3.229 1.00 0.00 H new ATOM 0 HA PHE A 38 2.460 -3.792 0.645 1.00 0.00 H new ATOM 0 HB2 PHE A 38 4.341 -3.806 3.034 1.00 0.00 H new ATOM 0 HB3 PHE A 38 4.611 -4.563 1.476 1.00 0.00 H new ATOM 0 HD1 PHE A 38 4.975 -3.127 -0.549 1.00 0.00 H new ATOM 0 HD2 PHE A 38 4.812 -1.489 3.380 1.00 0.00 H new ATOM 0 HE1 PHE A 38 6.061 -1.078 -1.361 1.00 0.00 H new ATOM 0 HE2 PHE A 38 5.894 0.563 2.571 1.00 0.00 H new ATOM 0 HZ PHE A 38 6.525 0.771 0.198 1.00 0.00 H new ATOM 543 N CYS A 39 2.267 -6.127 1.791 1.00 0.00 N ATOM 544 CA CYS A 39 1.739 -7.377 2.324 1.00 0.00 C ATOM 545 C CYS A 39 2.764 -8.059 3.226 1.00 0.00 C ATOM 546 O CYS A 39 2.884 -9.283 3.232 1.00 0.00 O ATOM 547 CB CYS A 39 1.343 -8.316 1.183 1.00 0.00 C ATOM 548 SG CYS A 39 2.742 -9.221 0.445 1.00 0.00 S ATOM 0 H CYS A 39 2.820 -6.232 0.940 1.00 0.00 H new ATOM 0 HA CYS A 39 0.855 -7.145 2.918 1.00 0.00 H new ATOM 0 HB2 CYS A 39 0.614 -9.036 1.556 1.00 0.00 H new ATOM 0 HB3 CYS A 39 0.848 -7.736 0.404 1.00 0.00 H new ATOM 553 N GLY A 40 3.501 -7.256 3.988 1.00 0.00 N ATOM 554 CA GLY A 40 4.506 -7.800 4.883 1.00 0.00 C ATOM 555 C GLY A 40 5.754 -8.248 4.150 1.00 0.00 C ATOM 556 O GLY A 40 6.869 -7.891 4.532 1.00 0.00 O ATOM 0 H GLY A 40 3.420 -6.239 4.001 1.00 0.00 H new ATOM 0 HA2 GLY A 40 4.774 -7.047 5.624 1.00 0.00 H new ATOM 0 HA3 GLY A 40 4.084 -8.646 5.427 1.00 0.00 H new ATOM 560 N SER A 41 5.569 -9.033 3.094 1.00 0.00 N ATOM 561 CA SER A 41 6.690 -9.536 2.309 1.00 0.00 C ATOM 562 C SER A 41 7.419 -8.392 1.610 1.00 0.00 C ATOM 563 O SER A 41 8.614 -8.512 1.344 1.00 0.00 O ATOM 564 CB SER A 41 6.202 -10.552 1.275 1.00 0.00 C ATOM 565 OG SER A 41 5.689 -11.713 1.905 1.00 0.00 O ATOM 0 H SER A 41 4.653 -9.335 2.762 1.00 0.00 H new ATOM 0 HA SER A 41 7.386 -10.027 2.989 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.429 -10.100 0.653 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.024 -10.826 0.614 1.00 0.00 H new ATOM 0 HG SER A 41 5.382 -12.346 1.223 1.00 0.00 H new ATOM 571 N HIS A 42 6.691 -7.321 1.330 1.00 0.00 N ATOM 572 CA HIS A 42 7.279 -6.170 0.665 1.00 0.00 C ATOM 573 C HIS A 42 7.185 -4.946 1.579 1.00 0.00 C ATOM 574 O HIS A 42 7.180 -3.798 1.134 1.00 0.00 O ATOM 575 CB HIS A 42 6.628 -5.941 -0.700 1.00 0.00 C ATOM 576 CG HIS A 42 6.499 -7.192 -1.536 1.00 0.00 C ATOM 577 ND1 HIS A 42 5.312 -7.573 -2.136 1.00 0.00 N ATOM 578 CD2 HIS A 42 7.420 -8.143 -1.865 1.00 0.00 C ATOM 579 CE1 HIS A 42 5.520 -8.705 -2.794 1.00 0.00 C ATOM 580 NE2 HIS A 42 6.826 -9.056 -2.624 1.00 0.00 N ATOM 0 H HIS A 42 5.700 -7.226 1.551 1.00 0.00 H new ATOM 0 HA HIS A 42 8.336 -6.357 0.473 1.00 0.00 H new ATOM 0 HB2 HIS A 42 5.637 -5.512 -0.551 1.00 0.00 H new ATOM 0 HB3 HIS A 42 7.214 -5.206 -1.252 1.00 0.00 H new ATOM 0 HD2 HIS A 42 8.456 -8.152 -1.560 1.00 0.00 H new ATOM 0 HE1 HIS A 42 4.784 -9.253 -3.364 1.00 0.00 H new ATOM 0 HE2 HIS A 42 7.274 -9.885 -3.016 1.00 0.00 H new ATOM 588 N ARG A 43 7.110 -5.219 2.877 1.00 0.00 N ATOM 589 CA ARG A 43 7.015 -4.161 3.876 1.00 0.00 C ATOM 590 C ARG A 43 8.358 -3.459 4.055 1.00 0.00 C ATOM 591 O ARG A 43 8.421 -2.336 4.556 1.00 0.00 O ATOM 592 CB ARG A 43 6.545 -4.735 5.214 1.00 0.00 C ATOM 593 CG ARG A 43 7.607 -5.551 5.933 1.00 0.00 C ATOM 594 CD ARG A 43 7.005 -6.384 7.054 1.00 0.00 C ATOM 595 NE ARG A 43 7.957 -6.615 8.137 1.00 0.00 N ATOM 596 CZ ARG A 43 7.910 -7.667 8.946 1.00 0.00 C ATOM 597 NH1 ARG A 43 6.963 -8.582 8.794 1.00 0.00 N ATOM 598 NH2 ARG A 43 8.813 -7.807 9.908 1.00 0.00 N ATOM 0 H ARG A 43 7.113 -6.164 3.262 1.00 0.00 H new ATOM 0 HA ARG A 43 6.287 -3.430 3.526 1.00 0.00 H new ATOM 0 HB2 ARG A 43 6.229 -3.916 5.860 1.00 0.00 H new ATOM 0 HB3 ARG A 43 5.670 -5.363 5.043 1.00 0.00 H new ATOM 0 HG2 ARG A 43 8.109 -6.206 5.221 1.00 0.00 H new ATOM 0 HG3 ARG A 43 8.366 -4.884 6.341 1.00 0.00 H new ATOM 0 HD2 ARG A 43 6.124 -5.878 7.448 1.00 0.00 H new ATOM 0 HD3 ARG A 43 6.671 -7.342 6.655 1.00 0.00 H new ATOM 0 HE ARG A 43 8.699 -5.930 8.280 1.00 0.00 H new ATOM 0 HH11 ARG A 43 6.268 -8.479 8.054 1.00 0.00 H new ATOM 0 HH12 ARG A 43 6.929 -9.389 9.417 1.00 0.00 H new ATOM 0 HH21 ARG A 43 9.544 -7.106 10.027 1.00 0.00 H new ATOM 0 HH22 ARG A 43 8.776 -8.616 10.529 1.00 0.00 H new ATOM 612 N TYR A 44 9.428 -4.128 3.643 1.00 0.00 N ATOM 613 CA TYR A 44 10.770 -3.570 3.760 1.00 0.00 C ATOM 614 C TYR A 44 10.968 -2.417 2.781 1.00 0.00 C ATOM 615 O TYR A 44 10.411 -2.397 1.684 1.00 0.00 O ATOM 616 CB TYR A 44 11.820 -4.654 3.507 1.00 0.00 C ATOM 617 CG TYR A 44 11.639 -5.885 4.366 1.00 0.00 C ATOM 618 CD1 TYR A 44 10.746 -6.885 4.003 1.00 0.00 C ATOM 619 CD2 TYR A 44 12.361 -6.047 5.543 1.00 0.00 C ATOM 620 CE1 TYR A 44 10.577 -8.011 4.785 1.00 0.00 C ATOM 621 CE2 TYR A 44 12.200 -7.170 6.330 1.00 0.00 C ATOM 622 CZ TYR A 44 11.307 -8.149 5.948 1.00 0.00 C ATOM 623 OH TYR A 44 11.142 -9.268 6.731 1.00 0.00 O ATOM 0 H TYR A 44 9.393 -5.058 3.225 1.00 0.00 H new ATOM 0 HA TYR A 44 10.889 -3.187 4.774 1.00 0.00 H new ATOM 0 HB2 TYR A 44 11.784 -4.945 2.457 1.00 0.00 H new ATOM 0 HB3 TYR A 44 12.811 -4.237 3.688 1.00 0.00 H new ATOM 0 HD1 TYR A 44 10.174 -6.780 3.093 1.00 0.00 H new ATOM 0 HD2 TYR A 44 13.060 -5.281 5.847 1.00 0.00 H new ATOM 0 HE1 TYR A 44 9.878 -8.779 4.488 1.00 0.00 H new ATOM 0 HE2 TYR A 44 12.771 -7.281 7.240 1.00 0.00 H new ATOM 0 HH TYR A 44 11.730 -9.210 7.513 1.00 0.00 H new ATOM 633 N PRO A 45 11.781 -1.431 3.188 1.00 0.00 N ATOM 634 CA PRO A 45 12.073 -0.255 2.362 1.00 0.00 C ATOM 635 C PRO A 45 12.932 -0.597 1.150 1.00 0.00 C ATOM 636 O PRO A 45 12.872 0.081 0.125 1.00 0.00 O ATOM 637 CB PRO A 45 12.837 0.667 3.316 1.00 0.00 C ATOM 638 CG PRO A 45 13.447 -0.248 4.321 1.00 0.00 C ATOM 639 CD PRO A 45 12.479 -1.388 4.484 1.00 0.00 C ATOM 0 HA PRO A 45 11.167 0.190 1.951 1.00 0.00 H new ATOM 0 HB2 PRO A 45 13.600 1.239 2.787 1.00 0.00 H new ATOM 0 HB3 PRO A 45 12.170 1.387 3.790 1.00 0.00 H new ATOM 0 HG2 PRO A 45 14.419 -0.607 3.983 1.00 0.00 H new ATOM 0 HG3 PRO A 45 13.609 0.265 5.269 1.00 0.00 H new ATOM 0 HD2 PRO A 45 12.994 -2.325 4.694 1.00 0.00 H new ATOM 0 HD3 PRO A 45 11.787 -1.213 5.308 1.00 0.00 H new ATOM 647 N GLU A 46 13.731 -1.652 1.274 1.00 0.00 N ATOM 648 CA GLU A 46 14.602 -2.083 0.187 1.00 0.00 C ATOM 649 C GLU A 46 13.800 -2.774 -0.912 1.00 0.00 C ATOM 650 O GLU A 46 14.242 -2.863 -2.057 1.00 0.00 O ATOM 651 CB GLU A 46 15.685 -3.027 0.715 1.00 0.00 C ATOM 652 CG GLU A 46 15.132 -4.288 1.356 1.00 0.00 C ATOM 653 CD GLU A 46 16.132 -4.962 2.275 1.00 0.00 C ATOM 654 OE1 GLU A 46 16.487 -4.361 3.310 1.00 0.00 O ATOM 655 OE2 GLU A 46 16.561 -6.092 1.958 1.00 0.00 O ATOM 0 H GLU A 46 13.793 -2.224 2.116 1.00 0.00 H new ATOM 0 HA GLU A 46 15.077 -1.198 -0.236 1.00 0.00 H new ATOM 0 HB2 GLU A 46 16.344 -3.306 -0.107 1.00 0.00 H new ATOM 0 HB3 GLU A 46 16.294 -2.495 1.446 1.00 0.00 H new ATOM 0 HG2 GLU A 46 14.234 -4.040 1.922 1.00 0.00 H new ATOM 0 HG3 GLU A 46 14.833 -4.987 0.575 1.00 0.00 H new ATOM 662 N LYS A 47 12.618 -3.264 -0.554 1.00 0.00 N ATOM 663 CA LYS A 47 11.752 -3.947 -1.508 1.00 0.00 C ATOM 664 C LYS A 47 10.717 -2.988 -2.087 1.00 0.00 C ATOM 665 O LYS A 47 9.698 -3.444 -2.605 1.00 0.00 O ATOM 666 CB LYS A 47 11.048 -5.128 -0.834 1.00 0.00 C ATOM 667 CG LYS A 47 12.005 -6.151 -0.247 1.00 0.00 C ATOM 668 CD LYS A 47 12.680 -6.971 -1.333 1.00 0.00 C ATOM 669 CE LYS A 47 14.048 -7.467 -0.888 1.00 0.00 C ATOM 670 NZ LYS A 47 13.945 -8.464 0.213 1.00 0.00 N ATOM 0 H LYS A 47 12.238 -3.201 0.390 1.00 0.00 H new ATOM 0 HA LYS A 47 12.373 -4.319 -2.323 1.00 0.00 H new ATOM 0 HB2 LYS A 47 10.402 -4.751 -0.042 1.00 0.00 H new ATOM 0 HB3 LYS A 47 10.405 -5.621 -1.563 1.00 0.00 H new ATOM 0 HG2 LYS A 47 12.762 -5.642 0.349 1.00 0.00 H new ATOM 0 HG3 LYS A 47 11.462 -6.814 0.426 1.00 0.00 H new ATOM 0 HD2 LYS A 47 12.050 -7.822 -1.593 1.00 0.00 H new ATOM 0 HD3 LYS A 47 12.786 -6.367 -2.234 1.00 0.00 H new ATOM 0 HE2 LYS A 47 14.566 -7.915 -1.736 1.00 0.00 H new ATOM 0 HE3 LYS A 47 14.651 -6.621 -0.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 14.898 -8.777 0.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 13.474 -8.029 1.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 13.391 -9.283 -0.111 1.00 0.00 H new ATOM 684 N HIS A 48 10.996 -1.697 -1.990 1.00 0.00 N ATOM 685 CA HIS A 48 10.083 -0.692 -2.509 1.00 0.00 C ATOM 686 C HIS A 48 10.737 0.688 -2.424 1.00 0.00 C ATOM 687 O HIS A 48 11.332 1.067 -1.416 1.00 0.00 O ATOM 688 CB HIS A 48 8.737 -0.756 -1.785 1.00 0.00 C ATOM 689 CG HIS A 48 8.725 -0.054 -0.448 1.00 0.00 C ATOM 690 ND1 HIS A 48 8.637 -0.734 0.755 1.00 0.00 N ATOM 691 CD2 HIS A 48 8.791 1.272 -0.137 1.00 0.00 C ATOM 692 CE1 HIS A 48 8.650 0.154 1.738 1.00 0.00 C ATOM 693 NE2 HIS A 48 8.744 1.396 1.184 1.00 0.00 N ATOM 0 H HIS A 48 11.842 -1.323 -1.560 1.00 0.00 H new ATOM 0 HA HIS A 48 9.874 -0.893 -3.560 1.00 0.00 H new ATOM 0 HB2 HIS A 48 7.972 -0.314 -2.423 1.00 0.00 H new ATOM 0 HB3 HIS A 48 8.465 -1.801 -1.638 1.00 0.00 H new ATOM 0 HD1 HIS A 48 8.573 -1.746 0.865 1.00 0.00 H new ATOM 0 HD2 HIS A 48 8.868 2.084 -0.845 1.00 0.00 H new ATOM 0 HE1 HIS A 48 8.596 -0.067 2.794 1.00 0.00 H new ATOM 701 N GLU A 49 10.612 1.437 -3.516 1.00 0.00 N ATOM 702 CA GLU A 49 11.181 2.777 -3.591 1.00 0.00 C ATOM 703 C GLU A 49 10.796 3.602 -2.366 1.00 0.00 C ATOM 704 O GLU A 49 9.797 4.321 -2.377 1.00 0.00 O ATOM 705 CB GLU A 49 10.711 3.484 -4.864 1.00 0.00 C ATOM 706 CG GLU A 49 9.199 3.544 -5.004 1.00 0.00 C ATOM 707 CD GLU A 49 8.755 3.772 -6.435 1.00 0.00 C ATOM 708 OE1 GLU A 49 9.373 3.188 -7.349 1.00 0.00 O ATOM 709 OE2 GLU A 49 7.787 4.534 -6.641 1.00 0.00 O ATOM 0 H GLU A 49 10.122 1.138 -4.359 1.00 0.00 H new ATOM 0 HA GLU A 49 12.267 2.682 -3.616 1.00 0.00 H new ATOM 0 HB2 GLU A 49 11.109 4.499 -4.874 1.00 0.00 H new ATOM 0 HB3 GLU A 49 11.128 2.970 -5.730 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.767 2.613 -4.637 1.00 0.00 H new ATOM 0 HG3 GLU A 49 8.811 4.345 -4.375 1.00 0.00 H new ATOM 716 N CYS A 50 11.595 3.491 -1.310 1.00 0.00 N ATOM 717 CA CYS A 50 11.339 4.224 -0.077 1.00 0.00 C ATOM 718 C CYS A 50 12.242 5.449 0.026 1.00 0.00 C ATOM 719 O CYS A 50 13.461 5.326 0.151 1.00 0.00 O ATOM 720 CB CYS A 50 11.554 3.315 1.135 1.00 0.00 C ATOM 721 SG CYS A 50 10.510 3.730 2.570 1.00 0.00 S ATOM 0 H CYS A 50 12.426 2.900 -1.284 1.00 0.00 H new ATOM 0 HA CYS A 50 10.302 4.560 -0.092 1.00 0.00 H new ATOM 0 HB2 CYS A 50 11.357 2.284 0.842 1.00 0.00 H new ATOM 0 HB3 CYS A 50 12.601 3.367 1.434 1.00 0.00 H new ATOM 726 N SER A 51 11.636 6.631 -0.029 1.00 0.00 N ATOM 727 CA SER A 51 12.386 7.879 0.054 1.00 0.00 C ATOM 728 C SER A 51 12.132 8.578 1.386 1.00 0.00 C ATOM 729 O SER A 51 11.974 9.798 1.441 1.00 0.00 O ATOM 730 CB SER A 51 12.004 8.806 -1.102 1.00 0.00 C ATOM 731 OG SER A 51 12.869 9.926 -1.164 1.00 0.00 O ATOM 0 H SER A 51 10.628 6.751 -0.131 1.00 0.00 H new ATOM 0 HA SER A 51 13.448 7.641 -0.015 1.00 0.00 H new ATOM 0 HB2 SER A 51 12.047 8.257 -2.042 1.00 0.00 H new ATOM 0 HB3 SER A 51 10.975 9.144 -0.977 1.00 0.00 H new ATOM 0 HG SER A 51 12.868 10.388 -0.300 1.00 0.00 H new ATOM 737 N PHE A 52 12.093 7.796 2.460 1.00 0.00 N ATOM 738 CA PHE A 52 11.857 8.338 3.793 1.00 0.00 C ATOM 739 C PHE A 52 13.169 8.497 4.555 1.00 0.00 C ATOM 740 O PHE A 52 14.096 7.705 4.389 1.00 0.00 O ATOM 741 CB PHE A 52 10.906 7.429 4.575 1.00 0.00 C ATOM 742 CG PHE A 52 10.971 7.632 6.062 1.00 0.00 C ATOM 743 CD1 PHE A 52 10.251 8.648 6.668 1.00 0.00 C ATOM 744 CD2 PHE A 52 11.754 6.806 6.854 1.00 0.00 C ATOM 745 CE1 PHE A 52 10.308 8.837 8.036 1.00 0.00 C ATOM 746 CE2 PHE A 52 11.814 6.990 8.222 1.00 0.00 C ATOM 747 CZ PHE A 52 11.092 8.008 8.814 1.00 0.00 C ATOM 0 H PHE A 52 12.222 6.785 2.433 1.00 0.00 H new ATOM 0 HA PHE A 52 11.400 9.321 3.683 1.00 0.00 H new ATOM 0 HB2 PHE A 52 9.885 7.607 4.236 1.00 0.00 H new ATOM 0 HB3 PHE A 52 11.141 6.389 4.348 1.00 0.00 H new ATOM 0 HD1 PHE A 52 9.638 9.301 6.064 1.00 0.00 H new ATOM 0 HD2 PHE A 52 12.323 6.010 6.397 1.00 0.00 H new ATOM 0 HE1 PHE A 52 9.740 9.632 8.496 1.00 0.00 H new ATOM 0 HE2 PHE A 52 12.425 6.338 8.828 1.00 0.00 H new ATOM 0 HZ PHE A 52 11.141 8.155 9.883 1.00 0.00 H new ATOM 757 N ASP A 53 13.238 9.527 5.391 1.00 0.00 N ATOM 758 CA ASP A 53 14.436 9.792 6.180 1.00 0.00 C ATOM 759 C ASP A 53 14.598 8.754 7.287 1.00 0.00 C ATOM 760 O ASP A 53 14.117 8.942 8.404 1.00 0.00 O ATOM 761 CB ASP A 53 14.374 11.195 6.786 1.00 0.00 C ATOM 762 CG ASP A 53 15.607 11.529 7.602 1.00 0.00 C ATOM 763 OD1 ASP A 53 16.729 11.299 7.103 1.00 0.00 O ATOM 764 OD2 ASP A 53 15.451 12.020 8.739 1.00 0.00 O ATOM 0 H ASP A 53 12.479 10.192 5.540 1.00 0.00 H new ATOM 0 HA ASP A 53 15.299 9.729 5.517 1.00 0.00 H new ATOM 0 HB2 ASP A 53 14.261 11.928 5.987 1.00 0.00 H new ATOM 0 HB3 ASP A 53 13.490 11.275 7.419 1.00 0.00 H new ATOM 769 N PHE A 54 15.279 7.658 6.967 1.00 0.00 N ATOM 770 CA PHE A 54 15.503 6.589 7.933 1.00 0.00 C ATOM 771 C PHE A 54 16.689 6.912 8.837 1.00 0.00 C ATOM 772 O PHE A 54 16.575 6.890 10.062 1.00 0.00 O ATOM 773 CB PHE A 54 15.744 5.262 7.210 1.00 0.00 C ATOM 774 CG PHE A 54 14.490 4.638 6.668 1.00 0.00 C ATOM 775 CD1 PHE A 54 13.673 3.872 7.484 1.00 0.00 C ATOM 776 CD2 PHE A 54 14.129 4.816 5.343 1.00 0.00 C ATOM 777 CE1 PHE A 54 12.518 3.297 6.989 1.00 0.00 C ATOM 778 CE2 PHE A 54 12.975 4.244 4.842 1.00 0.00 C ATOM 779 CZ PHE A 54 12.169 3.482 5.665 1.00 0.00 C ATOM 0 H PHE A 54 15.685 7.487 6.047 1.00 0.00 H new ATOM 0 HA PHE A 54 14.611 6.500 8.553 1.00 0.00 H new ATOM 0 HB2 PHE A 54 16.442 5.426 6.389 1.00 0.00 H new ATOM 0 HB3 PHE A 54 16.220 4.563 7.898 1.00 0.00 H new ATOM 0 HD1 PHE A 54 13.942 3.723 8.519 1.00 0.00 H new ATOM 0 HD2 PHE A 54 14.756 5.409 4.694 1.00 0.00 H new ATOM 0 HE1 PHE A 54 11.889 2.704 7.636 1.00 0.00 H new ATOM 0 HE2 PHE A 54 12.704 4.393 3.807 1.00 0.00 H new ATOM 0 HZ PHE A 54 11.268 3.032 5.275 1.00 0.00 H new ATOM 789 N LYS A 55 17.829 7.211 8.222 1.00 0.00 N ATOM 790 CA LYS A 55 19.038 7.539 8.968 1.00 0.00 C ATOM 791 C LYS A 55 18.759 8.622 10.006 1.00 0.00 C ATOM 792 O LYS A 55 17.786 9.367 9.892 1.00 0.00 O ATOM 793 CB LYS A 55 20.140 8.004 8.014 1.00 0.00 C ATOM 794 CG LYS A 55 20.600 6.928 7.046 1.00 0.00 C ATOM 795 CD LYS A 55 21.898 7.315 6.357 1.00 0.00 C ATOM 796 CE LYS A 55 21.638 8.093 5.076 1.00 0.00 C ATOM 797 NZ LYS A 55 22.810 8.059 4.159 1.00 0.00 N ATOM 0 H LYS A 55 17.940 7.233 7.208 1.00 0.00 H new ATOM 0 HA LYS A 55 19.371 6.640 9.487 1.00 0.00 H new ATOM 0 HB2 LYS A 55 19.779 8.862 7.446 1.00 0.00 H new ATOM 0 HB3 LYS A 55 20.995 8.345 8.598 1.00 0.00 H new ATOM 0 HG2 LYS A 55 20.738 5.989 7.583 1.00 0.00 H new ATOM 0 HG3 LYS A 55 19.827 6.756 6.297 1.00 0.00 H new ATOM 0 HD2 LYS A 55 22.505 7.917 7.033 1.00 0.00 H new ATOM 0 HD3 LYS A 55 22.472 6.417 6.129 1.00 0.00 H new ATOM 0 HE2 LYS A 55 20.768 7.677 4.569 1.00 0.00 H new ATOM 0 HE3 LYS A 55 21.399 9.128 5.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 22.593 8.600 3.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 23.634 8.479 4.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 23.023 7.073 3.904 1.00 0.00 H new ATOM 811 N GLU A 56 19.620 8.704 11.015 1.00 0.00 N ATOM 812 CA GLU A 56 19.466 9.697 12.072 1.00 0.00 C ATOM 813 C GLU A 56 20.785 10.416 12.340 1.00 0.00 C ATOM 814 O GLU A 56 21.671 9.883 13.007 1.00 0.00 O ATOM 815 CB GLU A 56 18.964 9.034 13.356 1.00 0.00 C ATOM 816 CG GLU A 56 18.792 10.002 14.514 1.00 0.00 C ATOM 817 CD GLU A 56 17.664 10.991 14.286 1.00 0.00 C ATOM 818 OE1 GLU A 56 16.506 10.656 14.610 1.00 0.00 O ATOM 819 OE2 GLU A 56 17.941 12.099 13.781 1.00 0.00 O ATOM 0 H GLU A 56 20.431 8.095 11.123 1.00 0.00 H new ATOM 0 HA GLU A 56 18.733 10.432 11.740 1.00 0.00 H new ATOM 0 HB2 GLU A 56 18.009 8.548 13.155 1.00 0.00 H new ATOM 0 HB3 GLU A 56 19.664 8.252 13.649 1.00 0.00 H new ATOM 0 HG2 GLU A 56 18.598 9.439 15.427 1.00 0.00 H new ATOM 0 HG3 GLU A 56 19.723 10.548 14.668 1.00 0.00 H new ATOM 826 N VAL A 57 20.907 11.631 11.813 1.00 0.00 N ATOM 827 CA VAL A 57 22.117 12.424 11.995 1.00 0.00 C ATOM 828 C VAL A 57 22.288 12.839 13.452 1.00 0.00 C ATOM 829 O VAL A 57 21.573 13.706 13.950 1.00 0.00 O ATOM 830 CB VAL A 57 22.098 13.687 11.113 1.00 0.00 C ATOM 831 CG1 VAL A 57 23.341 14.528 11.358 1.00 0.00 C ATOM 832 CG2 VAL A 57 21.981 13.308 9.644 1.00 0.00 C ATOM 0 H VAL A 57 20.183 12.087 11.257 1.00 0.00 H new ATOM 0 HA VAL A 57 22.956 11.794 11.698 1.00 0.00 H new ATOM 0 HB VAL A 57 21.226 14.284 11.381 1.00 0.00 H new ATOM 0 HG11 VAL A 57 23.310 15.416 10.726 1.00 0.00 H new ATOM 0 HG12 VAL A 57 23.376 14.829 12.405 1.00 0.00 H new ATOM 0 HG13 VAL A 57 24.229 13.943 11.118 1.00 0.00 H new ATOM 0 HG21 VAL A 57 21.969 14.212 9.035 1.00 0.00 H new ATOM 0 HG22 VAL A 57 22.832 12.690 9.359 1.00 0.00 H new ATOM 0 HG23 VAL A 57 21.058 12.751 9.484 1.00 0.00 H new ATOM 842 N GLY A 58 23.244 12.212 14.131 1.00 0.00 N ATOM 843 CA GLY A 58 23.493 12.529 15.526 1.00 0.00 C ATOM 844 C GLY A 58 24.886 13.083 15.754 1.00 0.00 C ATOM 845 O GLY A 58 25.535 12.758 16.749 1.00 0.00 O ATOM 0 H GLY A 58 23.850 11.491 13.741 1.00 0.00 H new ATOM 0 HA2 GLY A 58 22.756 13.256 15.868 1.00 0.00 H new ATOM 0 HA3 GLY A 58 23.359 11.631 16.129 1.00 0.00 H new ATOM 849 N SER A 59 25.347 13.920 14.830 1.00 0.00 N ATOM 850 CA SER A 59 26.674 14.515 14.933 1.00 0.00 C ATOM 851 C SER A 59 26.586 15.956 15.426 1.00 0.00 C ATOM 852 O SER A 59 26.049 16.827 14.742 1.00 0.00 O ATOM 853 CB SER A 59 27.383 14.471 13.578 1.00 0.00 C ATOM 854 OG SER A 59 26.606 15.102 12.575 1.00 0.00 O ATOM 0 H SER A 59 24.821 14.201 14.002 1.00 0.00 H new ATOM 0 HA SER A 59 27.249 13.936 15.655 1.00 0.00 H new ATOM 0 HB2 SER A 59 28.352 14.964 13.655 1.00 0.00 H new ATOM 0 HB3 SER A 59 27.573 13.435 13.297 1.00 0.00 H new ATOM 0 HG SER A 59 26.083 15.828 12.975 1.00 0.00 H new ATOM 860 N GLY A 60 27.117 16.200 16.620 1.00 0.00 N ATOM 861 CA GLY A 60 27.089 17.537 17.186 1.00 0.00 C ATOM 862 C GLY A 60 28.443 17.975 17.707 1.00 0.00 C ATOM 863 O GLY A 60 29.385 17.187 17.788 1.00 0.00 O ATOM 0 H GLY A 60 27.566 15.496 17.206 1.00 0.00 H new ATOM 0 HA2 GLY A 60 26.750 18.242 16.427 1.00 0.00 H new ATOM 0 HA3 GLY A 60 26.363 17.569 17.998 1.00 0.00 H new ATOM 867 N PRO A 61 28.554 19.261 18.070 1.00 0.00 N ATOM 868 CA PRO A 61 29.799 19.832 18.591 1.00 0.00 C ATOM 869 C PRO A 61 30.140 19.308 19.982 1.00 0.00 C ATOM 870 O PRO A 61 29.787 19.921 20.990 1.00 0.00 O ATOM 871 CB PRO A 61 29.507 21.334 18.642 1.00 0.00 C ATOM 872 CG PRO A 61 28.025 21.427 18.765 1.00 0.00 C ATOM 873 CD PRO A 61 27.472 20.257 18.000 1.00 0.00 C ATOM 0 HA PRO A 61 30.657 19.572 17.971 1.00 0.00 H new ATOM 0 HB2 PRO A 61 30.005 21.806 19.489 1.00 0.00 H new ATOM 0 HB3 PRO A 61 29.862 21.837 17.743 1.00 0.00 H new ATOM 0 HG2 PRO A 61 27.717 21.391 19.810 1.00 0.00 H new ATOM 0 HG3 PRO A 61 27.658 22.369 18.357 1.00 0.00 H new ATOM 0 HD2 PRO A 61 26.552 19.883 18.448 1.00 0.00 H new ATOM 0 HD3 PRO A 61 27.239 20.525 16.970 1.00 0.00 H new ATOM 881 N SER A 62 30.827 18.172 20.030 1.00 0.00 N ATOM 882 CA SER A 62 31.212 17.564 21.298 1.00 0.00 C ATOM 883 C SER A 62 32.591 16.919 21.195 1.00 0.00 C ATOM 884 O SER A 62 32.877 16.188 20.248 1.00 0.00 O ATOM 885 CB SER A 62 30.178 16.519 21.722 1.00 0.00 C ATOM 886 OG SER A 62 28.974 17.135 22.145 1.00 0.00 O ATOM 0 H SER A 62 31.129 17.654 19.205 1.00 0.00 H new ATOM 0 HA SER A 62 31.253 18.350 22.052 1.00 0.00 H new ATOM 0 HB2 SER A 62 29.973 15.847 20.889 1.00 0.00 H new ATOM 0 HB3 SER A 62 30.582 15.910 22.531 1.00 0.00 H new ATOM 0 HG SER A 62 28.329 16.446 22.409 1.00 0.00 H new ATOM 892 N SER A 63 33.442 17.197 22.178 1.00 0.00 N ATOM 893 CA SER A 63 34.793 16.648 22.197 1.00 0.00 C ATOM 894 C SER A 63 35.220 16.306 23.622 1.00 0.00 C ATOM 895 O SER A 63 35.209 17.160 24.507 1.00 0.00 O ATOM 896 CB SER A 63 35.779 17.642 21.582 1.00 0.00 C ATOM 897 OG SER A 63 37.114 17.185 21.714 1.00 0.00 O ATOM 0 H SER A 63 33.220 17.799 22.971 1.00 0.00 H new ATOM 0 HA SER A 63 34.795 15.732 21.606 1.00 0.00 H new ATOM 0 HB2 SER A 63 35.544 17.787 20.528 1.00 0.00 H new ATOM 0 HB3 SER A 63 35.674 18.612 22.069 1.00 0.00 H new ATOM 0 HG SER A 63 37.724 17.838 21.312 1.00 0.00 H new ATOM 903 N GLY A 64 35.596 15.048 23.834 1.00 0.00 N ATOM 904 CA GLY A 64 36.022 14.614 25.152 1.00 0.00 C ATOM 905 C GLY A 64 37.410 15.110 25.506 1.00 0.00 C ATOM 906 O GLY A 64 37.543 15.908 26.433 1.00 0.00 O ATOM 0 H GLY A 64 35.613 14.322 23.117 1.00 0.00 H new ATOM 0 HA2 GLY A 64 35.311 14.972 25.896 1.00 0.00 H new ATOM 0 HA3 GLY A 64 36.007 13.525 25.195 1.00 0.00 H new TER 910 GLY A 64 HETATM 911 ZN ZN A 200 3.518 -7.731 -1.195 1.00 0.00 ZN HETATM 912 ZN ZN A 400 8.490 2.737 2.581 1.00 0.00 ZN