USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 581 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 50 HIS HD1 : A 50 HIS ND1 : A 601 ZNZN :(H bumps) USER MOD NoAdj-H: A 53 HIS HD1 : A 53 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 17 THR OG1 : rot 180:sc=-0.00814 USER MOD Set 1.2: A 24 GLN : amide:sc= -0.0113 X(o=-0.019,f=0.071) USER MOD Single : A 1 GLY N :NH3+ -129:sc= 0.059 (180deg=0) USER MOD Single : A 2 SER OG : rot -55:sc= 0.313 USER MOD Single : A 3 SER OG : rot 34:sc= 0.153 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 15 CYS SG : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0.397 X(o=0.4,f=-0.068) USER MOD Single : A 36 ASN : amide:sc= -0.789 K(o=-0.79,f=-4.2!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 SER OG : rot -160:sc= -2.4 USER MOD Single : A 54 ASN :FLIP amide:sc= -0.304 F(o=-2.4!,f=-0.3) USER MOD Single : A 57 MET CE :methyl -152:sc= -0.0757 (180deg=-0.165) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 ASN : amide:sc= -1.26 K(o=-1.3,f=-5.2!) USER MOD Single : A 65 ASN : amide:sc= -0.0175 K(o=-0.018,f=-1.2) USER MOD Single : A 71 GLN : amide:sc= -7.66! C(o=-7.7!,f=-8.4!) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 GLN : amide:sc= -0.011 K(o=-0.011,f=-1.8) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.363 -34.242 14.541 1.00 0.00 N ATOM 2 CA GLY A 1 -17.624 -33.140 15.130 1.00 0.00 C ATOM 3 C GLY A 1 -16.156 -33.160 14.753 1.00 0.00 C ATOM 4 O GLY A 1 -15.775 -33.751 13.742 1.00 0.00 O ATOM 0 H1 GLY A 1 -19.208 -33.875 14.058 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.759 -34.737 13.854 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.652 -34.905 15.288 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -18.066 -32.197 14.808 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.718 -33.182 16.215 1.00 0.00 H new ATOM 8 N SER A 2 -15.329 -32.510 15.566 1.00 0.00 N ATOM 9 CA SER A 2 -13.895 -32.451 15.310 1.00 0.00 C ATOM 10 C SER A 2 -13.617 -32.215 13.828 1.00 0.00 C ATOM 11 O SER A 2 -12.729 -32.838 13.245 1.00 0.00 O ATOM 12 CB SER A 2 -13.220 -33.745 15.767 1.00 0.00 C ATOM 13 OG SER A 2 -11.808 -33.617 15.753 1.00 0.00 O ATOM 0 H SER A 2 -15.628 -32.017 16.407 1.00 0.00 H new ATOM 0 HA SER A 2 -13.484 -31.616 15.877 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.555 -33.998 16.773 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.520 -34.565 15.115 1.00 0.00 H new ATOM 0 HG SER A 2 -11.514 -33.338 14.861 1.00 0.00 H new ATOM 19 N SER A 3 -14.384 -31.312 13.225 1.00 0.00 N ATOM 20 CA SER A 3 -14.224 -30.996 11.811 1.00 0.00 C ATOM 21 C SER A 3 -13.703 -29.573 11.628 1.00 0.00 C ATOM 22 O SER A 3 -14.290 -28.616 12.131 1.00 0.00 O ATOM 23 CB SER A 3 -15.555 -31.163 11.076 1.00 0.00 C ATOM 24 OG SER A 3 -16.563 -30.354 11.657 1.00 0.00 O ATOM 0 H SER A 3 -15.122 -30.787 13.694 1.00 0.00 H new ATOM 0 HA SER A 3 -13.495 -31.688 11.389 1.00 0.00 H new ATOM 0 HB2 SER A 3 -15.430 -30.897 10.026 1.00 0.00 H new ATOM 0 HB3 SER A 3 -15.862 -32.209 11.105 1.00 0.00 H new ATOM 0 HG SER A 3 -16.164 -29.522 11.988 1.00 0.00 H new ATOM 30 N GLY A 4 -12.597 -29.444 10.902 1.00 0.00 N ATOM 31 CA GLY A 4 -12.015 -28.136 10.665 1.00 0.00 C ATOM 32 C GLY A 4 -10.540 -28.085 11.014 1.00 0.00 C ATOM 33 O GLY A 4 -10.143 -28.456 12.118 1.00 0.00 O ATOM 0 H GLY A 4 -12.094 -30.221 10.474 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -12.147 -27.868 9.617 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.550 -27.391 11.254 1.00 0.00 H new ATOM 37 N SER A 5 -9.726 -27.626 10.069 1.00 0.00 N ATOM 38 CA SER A 5 -8.286 -27.533 10.280 1.00 0.00 C ATOM 39 C SER A 5 -7.709 -26.316 9.564 1.00 0.00 C ATOM 40 O SER A 5 -8.303 -25.799 8.618 1.00 0.00 O ATOM 41 CB SER A 5 -7.594 -28.805 9.786 1.00 0.00 C ATOM 42 OG SER A 5 -7.801 -29.881 10.685 1.00 0.00 O ATOM 0 H SER A 5 -10.039 -27.313 9.150 1.00 0.00 H new ATOM 0 HA SER A 5 -8.107 -27.422 11.349 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.977 -29.072 8.801 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.525 -28.621 9.674 1.00 0.00 H new ATOM 0 HG SER A 5 -7.350 -30.682 10.346 1.00 0.00 H new ATOM 48 N SER A 6 -6.546 -25.864 10.022 1.00 0.00 N ATOM 49 CA SER A 6 -5.889 -24.705 9.429 1.00 0.00 C ATOM 50 C SER A 6 -4.489 -24.519 10.006 1.00 0.00 C ATOM 51 O SER A 6 -4.239 -24.833 11.169 1.00 0.00 O ATOM 52 CB SER A 6 -6.722 -23.443 9.665 1.00 0.00 C ATOM 53 OG SER A 6 -6.255 -22.367 8.870 1.00 0.00 O ATOM 0 H SER A 6 -6.039 -26.283 10.802 1.00 0.00 H new ATOM 0 HA SER A 6 -5.801 -24.878 8.356 1.00 0.00 H new ATOM 0 HB2 SER A 6 -7.767 -23.645 9.431 1.00 0.00 H new ATOM 0 HB3 SER A 6 -6.678 -23.167 10.718 1.00 0.00 H new ATOM 0 HG SER A 6 -6.805 -21.573 9.038 1.00 0.00 H new ATOM 59 N GLY A 7 -3.580 -24.006 9.183 1.00 0.00 N ATOM 60 CA GLY A 7 -2.216 -23.787 9.628 1.00 0.00 C ATOM 61 C GLY A 7 -1.562 -22.608 8.935 1.00 0.00 C ATOM 62 O GLY A 7 -1.629 -22.483 7.713 1.00 0.00 O ATOM 0 H GLY A 7 -3.764 -23.738 8.216 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.211 -23.620 10.705 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.628 -24.686 9.442 1.00 0.00 H new ATOM 66 N MET A 8 -0.930 -21.740 9.718 1.00 0.00 N ATOM 67 CA MET A 8 -0.262 -20.564 9.172 1.00 0.00 C ATOM 68 C MET A 8 1.254 -20.728 9.223 1.00 0.00 C ATOM 69 O MET A 8 1.826 -20.967 10.286 1.00 0.00 O ATOM 70 CB MET A 8 -0.677 -19.310 9.943 1.00 0.00 C ATOM 71 CG MET A 8 -0.547 -18.029 9.136 1.00 0.00 C ATOM 72 SD MET A 8 -0.890 -16.554 10.114 1.00 0.00 S ATOM 73 CE MET A 8 0.748 -15.838 10.233 1.00 0.00 C ATOM 0 H MET A 8 -0.866 -21.829 10.732 1.00 0.00 H new ATOM 0 HA MET A 8 -0.564 -20.457 8.130 1.00 0.00 H new ATOM 0 HB2 MET A 8 -1.711 -19.420 10.270 1.00 0.00 H new ATOM 0 HB3 MET A 8 -0.066 -19.227 10.842 1.00 0.00 H new ATOM 0 HG2 MET A 8 0.461 -17.963 8.727 1.00 0.00 H new ATOM 0 HG3 MET A 8 -1.233 -18.066 8.289 1.00 0.00 H new ATOM 0 HE1 MET A 8 0.701 -14.916 10.812 1.00 0.00 H new ATOM 0 HE2 MET A 8 1.418 -16.542 10.727 1.00 0.00 H new ATOM 0 HE3 MET A 8 1.123 -15.620 9.233 1.00 0.00 H new ATOM 83 N TRP A 9 1.897 -20.598 8.068 1.00 0.00 N ATOM 84 CA TRP A 9 3.347 -20.732 7.982 1.00 0.00 C ATOM 85 C TRP A 9 4.020 -19.364 7.969 1.00 0.00 C ATOM 86 O TRP A 9 3.357 -18.337 7.824 1.00 0.00 O ATOM 87 CB TRP A 9 3.734 -21.516 6.727 1.00 0.00 C ATOM 88 CG TRP A 9 3.049 -22.846 6.623 1.00 0.00 C ATOM 89 CD1 TRP A 9 1.765 -23.077 6.220 1.00 0.00 C ATOM 90 CD2 TRP A 9 3.613 -24.126 6.928 1.00 0.00 C ATOM 91 NE1 TRP A 9 1.496 -24.424 6.257 1.00 0.00 N ATOM 92 CE2 TRP A 9 2.613 -25.089 6.687 1.00 0.00 C ATOM 93 CE3 TRP A 9 4.864 -24.553 7.379 1.00 0.00 C ATOM 94 CZ2 TRP A 9 2.829 -26.450 6.883 1.00 0.00 C ATOM 95 CZ3 TRP A 9 5.077 -25.905 7.574 1.00 0.00 C ATOM 96 CH2 TRP A 9 4.064 -26.840 7.326 1.00 0.00 C ATOM 0 H TRP A 9 1.438 -20.400 7.179 1.00 0.00 H new ATOM 0 HA TRP A 9 3.689 -21.277 8.862 1.00 0.00 H new ATOM 0 HB2 TRP A 9 3.492 -20.921 5.846 1.00 0.00 H new ATOM 0 HB3 TRP A 9 4.813 -21.670 6.721 1.00 0.00 H new ATOM 0 HD1 TRP A 9 1.064 -22.313 5.917 1.00 0.00 H new ATOM 0 HE1 TRP A 9 0.608 -24.858 6.005 1.00 0.00 H new ATOM 0 HE3 TRP A 9 5.651 -23.839 7.572 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 2.050 -27.173 6.692 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 6.040 -26.246 7.923 1.00 0.00 H new ATOM 0 HH2 TRP A 9 4.261 -27.889 7.488 1.00 0.00 H new ATOM 107 N SER A 10 5.341 -19.358 8.120 1.00 0.00 N ATOM 108 CA SER A 10 6.103 -18.115 8.130 1.00 0.00 C ATOM 109 C SER A 10 5.527 -17.116 7.130 1.00 0.00 C ATOM 110 O SER A 10 4.998 -17.501 6.087 1.00 0.00 O ATOM 111 CB SER A 10 7.572 -18.390 7.803 1.00 0.00 C ATOM 112 OG SER A 10 8.336 -17.197 7.841 1.00 0.00 O ATOM 0 H SER A 10 5.905 -20.200 8.237 1.00 0.00 H new ATOM 0 HA SER A 10 6.034 -17.684 9.129 1.00 0.00 H new ATOM 0 HB2 SER A 10 7.978 -19.108 8.516 1.00 0.00 H new ATOM 0 HB3 SER A 10 7.649 -18.843 6.815 1.00 0.00 H new ATOM 0 HG SER A 10 9.271 -17.401 7.630 1.00 0.00 H new ATOM 118 N TRP A 11 5.632 -15.834 7.458 1.00 0.00 N ATOM 119 CA TRP A 11 5.121 -14.779 6.589 1.00 0.00 C ATOM 120 C TRP A 11 5.923 -14.704 5.295 1.00 0.00 C ATOM 121 O TRP A 11 6.787 -15.543 5.039 1.00 0.00 O ATOM 122 CB TRP A 11 5.165 -13.431 7.310 1.00 0.00 C ATOM 123 CG TRP A 11 6.252 -13.342 8.338 1.00 0.00 C ATOM 124 CD1 TRP A 11 7.592 -13.217 8.105 1.00 0.00 C ATOM 125 CD2 TRP A 11 6.092 -13.374 9.760 1.00 0.00 C ATOM 126 NE1 TRP A 11 8.274 -13.169 9.297 1.00 0.00 N ATOM 127 CE2 TRP A 11 7.376 -13.262 10.328 1.00 0.00 C ATOM 128 CE3 TRP A 11 4.988 -13.484 10.610 1.00 0.00 C ATOM 129 CZ2 TRP A 11 7.584 -13.259 11.704 1.00 0.00 C ATOM 130 CZ3 TRP A 11 5.196 -13.480 11.976 1.00 0.00 C ATOM 131 CH2 TRP A 11 6.486 -13.368 12.513 1.00 0.00 C ATOM 0 H TRP A 11 6.066 -15.499 8.318 1.00 0.00 H new ATOM 0 HA TRP A 11 4.087 -15.016 6.340 1.00 0.00 H new ATOM 0 HB2 TRP A 11 5.304 -12.638 6.575 1.00 0.00 H new ATOM 0 HB3 TRP A 11 4.204 -13.253 7.792 1.00 0.00 H new ATOM 0 HD1 TRP A 11 8.048 -13.164 7.128 1.00 0.00 H new ATOM 0 HE1 TRP A 11 9.285 -13.079 9.398 1.00 0.00 H new ATOM 0 HE3 TRP A 11 3.990 -13.571 10.206 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 8.577 -13.174 12.119 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 4.350 -13.565 12.642 1.00 0.00 H new ATOM 0 HH2 TRP A 11 6.616 -13.368 13.585 1.00 0.00 H new ATOM 142 N ASP A 12 5.632 -13.694 4.482 1.00 0.00 N ATOM 143 CA ASP A 12 6.327 -13.509 3.213 1.00 0.00 C ATOM 144 C ASP A 12 7.159 -12.230 3.231 1.00 0.00 C ATOM 145 O ASP A 12 7.203 -11.492 2.247 1.00 0.00 O ATOM 146 CB ASP A 12 5.325 -13.465 2.059 1.00 0.00 C ATOM 147 CG ASP A 12 4.794 -14.839 1.700 1.00 0.00 C ATOM 148 OD1 ASP A 12 5.525 -15.830 1.907 1.00 0.00 O ATOM 149 OD2 ASP A 12 3.647 -14.923 1.214 1.00 0.00 O ATOM 0 H ASP A 12 4.920 -12.991 4.679 1.00 0.00 H new ATOM 0 HA ASP A 12 6.998 -14.356 3.068 1.00 0.00 H new ATOM 0 HB2 ASP A 12 4.492 -12.816 2.330 1.00 0.00 H new ATOM 0 HB3 ASP A 12 5.802 -13.023 1.184 1.00 0.00 H new ATOM 154 N VAL A 13 7.816 -11.973 4.358 1.00 0.00 N ATOM 155 CA VAL A 13 8.646 -10.783 4.504 1.00 0.00 C ATOM 156 C VAL A 13 9.938 -10.913 3.706 1.00 0.00 C ATOM 157 O VAL A 13 10.781 -10.017 3.722 1.00 0.00 O ATOM 158 CB VAL A 13 8.992 -10.518 5.981 1.00 0.00 C ATOM 159 CG1 VAL A 13 7.724 -10.383 6.811 1.00 0.00 C ATOM 160 CG2 VAL A 13 9.880 -11.626 6.527 1.00 0.00 C ATOM 0 H VAL A 13 7.789 -12.573 5.183 1.00 0.00 H new ATOM 0 HA VAL A 13 8.067 -9.944 4.118 1.00 0.00 H new ATOM 0 HB VAL A 13 9.541 -9.579 6.044 1.00 0.00 H new ATOM 0 HG11 VAL A 13 7.989 -10.196 7.852 1.00 0.00 H new ATOM 0 HG12 VAL A 13 7.129 -9.552 6.433 1.00 0.00 H new ATOM 0 HG13 VAL A 13 7.145 -11.304 6.744 1.00 0.00 H new ATOM 0 HG21 VAL A 13 10.115 -11.423 7.572 1.00 0.00 H new ATOM 0 HG22 VAL A 13 9.359 -12.580 6.451 1.00 0.00 H new ATOM 0 HG23 VAL A 13 10.803 -11.670 5.950 1.00 0.00 H new ATOM 170 N GLU A 14 10.086 -12.035 3.008 1.00 0.00 N ATOM 171 CA GLU A 14 11.277 -12.281 2.204 1.00 0.00 C ATOM 172 C GLU A 14 11.107 -11.723 0.794 1.00 0.00 C ATOM 173 O GLU A 14 11.954 -11.933 -0.075 1.00 0.00 O ATOM 174 CB GLU A 14 11.573 -13.781 2.138 1.00 0.00 C ATOM 175 CG GLU A 14 11.283 -14.516 3.435 1.00 0.00 C ATOM 176 CD GLU A 14 9.814 -14.857 3.597 1.00 0.00 C ATOM 177 OE1 GLU A 14 9.155 -15.137 2.574 1.00 0.00 O ATOM 178 OE2 GLU A 14 9.324 -14.843 4.745 1.00 0.00 O ATOM 0 H GLU A 14 9.397 -12.787 2.983 1.00 0.00 H new ATOM 0 HA GLU A 14 12.116 -11.772 2.679 1.00 0.00 H new ATOM 0 HB2 GLU A 14 10.980 -14.225 1.338 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.621 -13.925 1.875 1.00 0.00 H new ATOM 0 HG2 GLU A 14 11.871 -15.433 3.468 1.00 0.00 H new ATOM 0 HG3 GLU A 14 11.604 -13.902 4.276 1.00 0.00 H new ATOM 185 N CYS A 15 10.006 -11.012 0.575 1.00 0.00 N ATOM 186 CA CYS A 15 9.723 -10.424 -0.730 1.00 0.00 C ATOM 187 C CYS A 15 10.002 -8.925 -0.723 1.00 0.00 C ATOM 188 O CYS A 15 10.487 -8.378 0.268 1.00 0.00 O ATOM 189 CB CYS A 15 8.268 -10.683 -1.124 1.00 0.00 C ATOM 190 SG CYS A 15 7.901 -12.412 -1.502 1.00 0.00 S ATOM 0 H CYS A 15 9.295 -10.829 1.283 1.00 0.00 H new ATOM 0 HA CYS A 15 10.379 -10.893 -1.463 1.00 0.00 H new ATOM 0 HB2 CYS A 15 7.619 -10.354 -0.312 1.00 0.00 H new ATOM 0 HB3 CYS A 15 8.024 -10.073 -1.994 1.00 0.00 H new ATOM 0 HG CYS A 15 6.646 -12.529 -1.822 1.00 0.00 H new ATOM 196 N ASP A 16 9.695 -8.266 -1.835 1.00 0.00 N ATOM 197 CA ASP A 16 9.913 -6.830 -1.957 1.00 0.00 C ATOM 198 C ASP A 16 8.755 -6.049 -1.342 1.00 0.00 C ATOM 199 O ASP A 16 8.446 -4.936 -1.769 1.00 0.00 O ATOM 200 CB ASP A 16 10.082 -6.441 -3.427 1.00 0.00 C ATOM 201 CG ASP A 16 11.491 -6.687 -3.932 1.00 0.00 C ATOM 202 OD1 ASP A 16 12.051 -7.760 -3.627 1.00 0.00 O ATOM 203 OD2 ASP A 16 12.032 -5.806 -4.632 1.00 0.00 O ATOM 0 H ASP A 16 9.294 -8.704 -2.665 1.00 0.00 H new ATOM 0 HA ASP A 16 10.825 -6.579 -1.415 1.00 0.00 H new ATOM 0 HB2 ASP A 16 9.377 -7.009 -4.034 1.00 0.00 H new ATOM 0 HB3 ASP A 16 9.833 -5.387 -3.552 1.00 0.00 H new ATOM 208 N THR A 17 8.117 -6.641 -0.338 1.00 0.00 N ATOM 209 CA THR A 17 6.992 -6.004 0.334 1.00 0.00 C ATOM 210 C THR A 17 7.297 -4.545 0.653 1.00 0.00 C ATOM 211 O THR A 17 8.216 -4.244 1.416 1.00 0.00 O ATOM 212 CB THR A 17 6.628 -6.737 1.639 1.00 0.00 C ATOM 213 OG1 THR A 17 6.057 -8.016 1.339 1.00 0.00 O ATOM 214 CG2 THR A 17 5.646 -5.919 2.464 1.00 0.00 C ATOM 0 H THR A 17 8.360 -7.561 0.028 1.00 0.00 H new ATOM 0 HA THR A 17 6.145 -6.055 -0.351 1.00 0.00 H new ATOM 0 HB THR A 17 7.540 -6.873 2.220 1.00 0.00 H new ATOM 0 HG1 THR A 17 5.830 -8.477 2.174 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.404 -6.457 3.380 1.00 0.00 H new ATOM 0 HG22 THR A 17 6.094 -4.958 2.715 1.00 0.00 H new ATOM 0 HG23 THR A 17 4.735 -5.755 1.888 1.00 0.00 H new ATOM 222 N CYS A 18 6.520 -3.641 0.066 1.00 0.00 N ATOM 223 CA CYS A 18 6.707 -2.212 0.288 1.00 0.00 C ATOM 224 C CYS A 18 6.909 -1.913 1.770 1.00 0.00 C ATOM 225 O CYS A 18 5.993 -2.072 2.576 1.00 0.00 O ATOM 226 CB CYS A 18 5.503 -1.431 -0.242 1.00 0.00 C ATOM 227 SG CYS A 18 5.584 0.362 0.070 1.00 0.00 S ATOM 0 H CYS A 18 5.755 -3.873 -0.567 1.00 0.00 H new ATOM 0 HA CYS A 18 7.601 -1.900 -0.252 1.00 0.00 H new ATOM 0 HB2 CYS A 18 5.419 -1.599 -1.316 1.00 0.00 H new ATOM 0 HB3 CYS A 18 4.596 -1.828 0.215 1.00 0.00 H new ATOM 232 N ALA A 19 8.115 -1.479 2.122 1.00 0.00 N ATOM 233 CA ALA A 19 8.438 -1.156 3.506 1.00 0.00 C ATOM 234 C ALA A 19 7.751 0.133 3.943 1.00 0.00 C ATOM 235 O ALA A 19 7.376 0.284 5.106 1.00 0.00 O ATOM 236 CB ALA A 19 9.944 -1.040 3.684 1.00 0.00 C ATOM 0 H ALA A 19 8.885 -1.343 1.467 1.00 0.00 H new ATOM 0 HA ALA A 19 8.070 -1.965 4.137 1.00 0.00 H new ATOM 0 HB1 ALA A 19 10.170 -0.798 4.723 1.00 0.00 H new ATOM 0 HB2 ALA A 19 10.415 -1.987 3.421 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.327 -0.251 3.036 1.00 0.00 H new ATOM 242 N ILE A 20 7.590 1.060 3.004 1.00 0.00 N ATOM 243 CA ILE A 20 6.947 2.336 3.293 1.00 0.00 C ATOM 244 C ILE A 20 5.645 2.134 4.061 1.00 0.00 C ATOM 245 O ILE A 20 5.375 2.830 5.040 1.00 0.00 O ATOM 246 CB ILE A 20 6.653 3.123 2.003 1.00 0.00 C ATOM 247 CG1 ILE A 20 7.942 3.344 1.209 1.00 0.00 C ATOM 248 CG2 ILE A 20 5.992 4.453 2.333 1.00 0.00 C ATOM 249 CD1 ILE A 20 7.706 3.672 -0.249 1.00 0.00 C ATOM 0 H ILE A 20 7.896 0.951 2.037 1.00 0.00 H new ATOM 0 HA ILE A 20 7.643 2.908 3.907 1.00 0.00 H new ATOM 0 HB ILE A 20 5.966 2.541 1.388 1.00 0.00 H new ATOM 0 HG12 ILE A 20 8.507 4.155 1.668 1.00 0.00 H new ATOM 0 HG13 ILE A 20 8.558 2.448 1.276 1.00 0.00 H new ATOM 0 HG21 ILE A 20 5.790 4.998 1.411 1.00 0.00 H new ATOM 0 HG22 ILE A 20 5.055 4.273 2.860 1.00 0.00 H new ATOM 0 HG23 ILE A 20 6.656 5.043 2.965 1.00 0.00 H new ATOM 0 HD11 ILE A 20 8.664 3.816 -0.749 1.00 0.00 H new ATOM 0 HD12 ILE A 20 7.168 2.852 -0.724 1.00 0.00 H new ATOM 0 HD13 ILE A 20 7.116 4.585 -0.326 1.00 0.00 H new ATOM 261 N CYS A 21 4.841 1.177 3.610 1.00 0.00 N ATOM 262 CA CYS A 21 3.567 0.882 4.254 1.00 0.00 C ATOM 263 C CYS A 21 3.535 -0.557 4.763 1.00 0.00 C ATOM 264 O CYS A 21 2.619 -0.951 5.484 1.00 0.00 O ATOM 265 CB CYS A 21 2.412 1.115 3.279 1.00 0.00 C ATOM 266 SG CYS A 21 2.432 0.016 1.826 1.00 0.00 S ATOM 0 H CYS A 21 5.050 0.592 2.801 1.00 0.00 H new ATOM 0 HA CYS A 21 3.455 1.553 5.106 1.00 0.00 H new ATOM 0 HB2 CYS A 21 1.470 0.980 3.810 1.00 0.00 H new ATOM 0 HB3 CYS A 21 2.441 2.150 2.939 1.00 0.00 H new ATOM 271 N ARG A 22 4.542 -1.336 4.381 1.00 0.00 N ATOM 272 CA ARG A 22 4.630 -2.731 4.797 1.00 0.00 C ATOM 273 C ARG A 22 3.515 -3.558 4.162 1.00 0.00 C ATOM 274 O ARG A 22 2.953 -4.451 4.796 1.00 0.00 O ATOM 275 CB ARG A 22 4.553 -2.836 6.321 1.00 0.00 C ATOM 276 CG ARG A 22 5.522 -1.916 7.045 1.00 0.00 C ATOM 277 CD ARG A 22 6.952 -2.424 6.944 1.00 0.00 C ATOM 278 NE ARG A 22 7.152 -3.654 7.704 1.00 0.00 N ATOM 279 CZ ARG A 22 8.312 -4.001 8.251 1.00 0.00 C ATOM 280 NH1 ARG A 22 9.371 -3.213 8.122 1.00 0.00 N ATOM 281 NH2 ARG A 22 8.415 -5.137 8.928 1.00 0.00 N ATOM 0 H ARG A 22 5.308 -1.025 3.784 1.00 0.00 H new ATOM 0 HA ARG A 22 5.589 -3.126 4.461 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.537 -2.605 6.642 1.00 0.00 H new ATOM 0 HB3 ARG A 22 4.754 -3.866 6.616 1.00 0.00 H new ATOM 0 HG2 ARG A 22 5.460 -0.914 6.621 1.00 0.00 H new ATOM 0 HG3 ARG A 22 5.236 -1.837 8.094 1.00 0.00 H new ATOM 0 HD2 ARG A 22 7.201 -2.600 5.897 1.00 0.00 H new ATOM 0 HD3 ARG A 22 7.635 -1.657 7.309 1.00 0.00 H new ATOM 0 HE ARG A 22 6.357 -4.282 7.822 1.00 0.00 H new ATOM 0 HH11 ARG A 22 9.296 -2.339 7.602 1.00 0.00 H new ATOM 0 HH12 ARG A 22 10.261 -3.481 8.543 1.00 0.00 H new ATOM 0 HH21 ARG A 22 7.603 -5.746 9.029 1.00 0.00 H new ATOM 0 HH22 ARG A 22 9.306 -5.402 9.347 1.00 0.00 H new ATOM 295 N VAL A 23 3.201 -3.253 2.907 1.00 0.00 N ATOM 296 CA VAL A 23 2.155 -3.969 2.186 1.00 0.00 C ATOM 297 C VAL A 23 2.697 -4.589 0.903 1.00 0.00 C ATOM 298 O VAL A 23 3.572 -4.021 0.250 1.00 0.00 O ATOM 299 CB VAL A 23 0.978 -3.038 1.836 1.00 0.00 C ATOM 300 CG1 VAL A 23 -0.154 -3.827 1.195 1.00 0.00 C ATOM 301 CG2 VAL A 23 0.492 -2.305 3.077 1.00 0.00 C ATOM 0 H VAL A 23 3.656 -2.515 2.369 1.00 0.00 H new ATOM 0 HA VAL A 23 1.800 -4.760 2.846 1.00 0.00 H new ATOM 0 HB VAL A 23 1.325 -2.296 1.116 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.976 -3.153 0.955 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.205 -4.302 0.282 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.503 -4.592 1.889 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.339 -1.652 2.812 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.161 -3.029 3.821 1.00 0.00 H new ATOM 0 HG23 VAL A 23 1.305 -1.708 3.489 1.00 0.00 H new ATOM 311 N GLN A 24 2.171 -5.757 0.549 1.00 0.00 N ATOM 312 CA GLN A 24 2.603 -6.454 -0.657 1.00 0.00 C ATOM 313 C GLN A 24 2.738 -5.486 -1.827 1.00 0.00 C ATOM 314 O GLN A 24 1.742 -4.994 -2.358 1.00 0.00 O ATOM 315 CB GLN A 24 1.613 -7.565 -1.011 1.00 0.00 C ATOM 316 CG GLN A 24 1.812 -8.837 -0.202 1.00 0.00 C ATOM 317 CD GLN A 24 2.979 -9.668 -0.699 1.00 0.00 C ATOM 318 OE1 GLN A 24 2.920 -10.259 -1.777 1.00 0.00 O ATOM 319 NE2 GLN A 24 4.048 -9.717 0.088 1.00 0.00 N ATOM 0 H GLN A 24 1.446 -6.240 1.079 1.00 0.00 H new ATOM 0 HA GLN A 24 3.580 -6.896 -0.461 1.00 0.00 H new ATOM 0 HB2 GLN A 24 0.598 -7.200 -0.854 1.00 0.00 H new ATOM 0 HB3 GLN A 24 1.707 -7.800 -2.071 1.00 0.00 H new ATOM 0 HG2 GLN A 24 1.976 -8.576 0.844 1.00 0.00 H new ATOM 0 HG3 GLN A 24 0.902 -9.435 -0.243 1.00 0.00 H new ATOM 0 HE21 GLN A 24 4.053 -9.211 0.974 1.00 0.00 H new ATOM 0 HE22 GLN A 24 4.864 -10.261 -0.193 1.00 0.00 H new ATOM 328 N VAL A 25 3.978 -5.215 -2.224 1.00 0.00 N ATOM 329 CA VAL A 25 4.244 -4.305 -3.332 1.00 0.00 C ATOM 330 C VAL A 25 3.392 -4.655 -4.547 1.00 0.00 C ATOM 331 O VAL A 25 2.938 -3.773 -5.275 1.00 0.00 O ATOM 332 CB VAL A 25 5.730 -4.332 -3.736 1.00 0.00 C ATOM 333 CG1 VAL A 25 6.178 -5.756 -4.027 1.00 0.00 C ATOM 334 CG2 VAL A 25 5.971 -3.433 -4.939 1.00 0.00 C ATOM 0 H VAL A 25 4.814 -5.613 -1.795 1.00 0.00 H new ATOM 0 HA VAL A 25 3.987 -3.303 -2.988 1.00 0.00 H new ATOM 0 HB VAL A 25 6.322 -3.953 -2.903 1.00 0.00 H new ATOM 0 HG11 VAL A 25 7.230 -5.756 -4.311 1.00 0.00 H new ATOM 0 HG12 VAL A 25 6.043 -6.369 -3.136 1.00 0.00 H new ATOM 0 HG13 VAL A 25 5.582 -6.165 -4.843 1.00 0.00 H new ATOM 0 HG21 VAL A 25 7.026 -3.464 -5.211 1.00 0.00 H new ATOM 0 HG22 VAL A 25 5.369 -3.780 -5.779 1.00 0.00 H new ATOM 0 HG23 VAL A 25 5.690 -2.410 -4.690 1.00 0.00 H new ATOM 344 N MET A 26 3.178 -5.950 -4.760 1.00 0.00 N ATOM 345 CA MET A 26 2.378 -6.417 -5.887 1.00 0.00 C ATOM 346 C MET A 26 0.920 -5.998 -5.729 1.00 0.00 C ATOM 347 O MET A 26 0.237 -5.712 -6.712 1.00 0.00 O ATOM 348 CB MET A 26 2.474 -7.938 -6.011 1.00 0.00 C ATOM 349 CG MET A 26 3.882 -8.439 -6.288 1.00 0.00 C ATOM 350 SD MET A 26 3.901 -9.975 -7.231 1.00 0.00 S ATOM 351 CE MET A 26 4.962 -9.520 -8.600 1.00 0.00 C ATOM 0 H MET A 26 3.547 -6.694 -4.168 1.00 0.00 H new ATOM 0 HA MET A 26 2.772 -5.960 -6.795 1.00 0.00 H new ATOM 0 HB2 MET A 26 2.110 -8.393 -5.090 1.00 0.00 H new ATOM 0 HB3 MET A 26 1.815 -8.271 -6.813 1.00 0.00 H new ATOM 0 HG2 MET A 26 4.434 -7.675 -6.835 1.00 0.00 H new ATOM 0 HG3 MET A 26 4.402 -8.592 -5.342 1.00 0.00 H new ATOM 0 HE1 MET A 26 5.071 -10.370 -9.274 1.00 0.00 H new ATOM 0 HE2 MET A 26 4.520 -8.683 -9.140 1.00 0.00 H new ATOM 0 HE3 MET A 26 5.942 -9.230 -8.220 1.00 0.00 H new ATOM 361 N ASP A 27 0.450 -5.965 -4.487 1.00 0.00 N ATOM 362 CA ASP A 27 -0.927 -5.580 -4.200 1.00 0.00 C ATOM 363 C ASP A 27 -1.013 -4.103 -3.829 1.00 0.00 C ATOM 364 O ASP A 27 0.005 -3.423 -3.708 1.00 0.00 O ATOM 365 CB ASP A 27 -1.494 -6.437 -3.067 1.00 0.00 C ATOM 366 CG ASP A 27 -1.879 -7.828 -3.530 1.00 0.00 C ATOM 367 OD1 ASP A 27 -0.967 -8.625 -3.837 1.00 0.00 O ATOM 368 OD2 ASP A 27 -3.091 -8.121 -3.585 1.00 0.00 O ATOM 0 H ASP A 27 1.002 -6.200 -3.662 1.00 0.00 H new ATOM 0 HA ASP A 27 -1.519 -5.745 -5.101 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -0.755 -6.514 -2.269 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -2.369 -5.943 -2.644 1.00 0.00 H new ATOM 373 N ALA A 28 -2.236 -3.613 -3.652 1.00 0.00 N ATOM 374 CA ALA A 28 -2.454 -2.217 -3.294 1.00 0.00 C ATOM 375 C ALA A 28 -2.143 -1.972 -1.821 1.00 0.00 C ATOM 376 O ALA A 28 -2.287 -2.868 -0.989 1.00 0.00 O ATOM 377 CB ALA A 28 -3.886 -1.810 -3.608 1.00 0.00 C ATOM 0 H ALA A 28 -3.090 -4.162 -3.751 1.00 0.00 H new ATOM 0 HA ALA A 28 -1.775 -1.605 -3.888 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -4.035 -0.765 -3.336 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -4.075 -1.938 -4.674 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -4.575 -2.435 -3.040 1.00 0.00 H new ATOM 383 N CYS A 29 -1.716 -0.754 -1.506 1.00 0.00 N ATOM 384 CA CYS A 29 -1.384 -0.392 -0.133 1.00 0.00 C ATOM 385 C CYS A 29 -2.647 -0.206 0.702 1.00 0.00 C ATOM 386 O CYS A 29 -3.748 -0.082 0.163 1.00 0.00 O ATOM 387 CB CYS A 29 -0.551 0.891 -0.110 1.00 0.00 C ATOM 388 SG CYS A 29 -1.364 2.320 -0.896 1.00 0.00 S ATOM 0 H CYS A 29 -1.592 -0.001 -2.183 1.00 0.00 H new ATOM 0 HA CYS A 29 -0.801 -1.205 0.300 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -0.319 1.142 0.925 1.00 0.00 H new ATOM 0 HB3 CYS A 29 0.398 0.704 -0.613 1.00 0.00 H new ATOM 393 N LEU A 30 -2.481 -0.187 2.019 1.00 0.00 N ATOM 394 CA LEU A 30 -3.608 -0.015 2.930 1.00 0.00 C ATOM 395 C LEU A 30 -4.349 1.286 2.640 1.00 0.00 C ATOM 396 O LEU A 30 -5.470 1.491 3.108 1.00 0.00 O ATOM 397 CB LEU A 30 -3.123 -0.027 4.381 1.00 0.00 C ATOM 398 CG LEU A 30 -2.967 -1.405 5.026 1.00 0.00 C ATOM 399 CD1 LEU A 30 -2.235 -1.293 6.354 1.00 0.00 C ATOM 400 CD2 LEU A 30 -4.327 -2.060 5.218 1.00 0.00 C ATOM 0 H LEU A 30 -1.577 -0.289 2.481 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.297 -0.846 2.777 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.161 0.484 4.426 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.822 0.556 4.981 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.374 -2.032 4.360 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.133 -2.283 6.798 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.246 -0.866 6.189 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.800 -0.649 7.028 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.197 -3.040 5.678 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.944 -1.435 5.863 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.815 -2.175 4.250 1.00 0.00 H new ATOM 412 N ARG A 31 -3.718 2.161 1.865 1.00 0.00 N ATOM 413 CA ARG A 31 -4.318 3.442 1.511 1.00 0.00 C ATOM 414 C ARG A 31 -5.164 3.316 0.248 1.00 0.00 C ATOM 415 O ARG A 31 -6.238 3.908 0.145 1.00 0.00 O ATOM 416 CB ARG A 31 -3.232 4.499 1.308 1.00 0.00 C ATOM 417 CG ARG A 31 -2.267 4.615 2.477 1.00 0.00 C ATOM 418 CD ARG A 31 -1.048 3.727 2.284 1.00 0.00 C ATOM 419 NE ARG A 31 0.116 4.230 3.009 1.00 0.00 N ATOM 420 CZ ARG A 31 0.336 3.997 4.298 1.00 0.00 C ATOM 421 NH1 ARG A 31 -0.523 3.273 5.001 1.00 0.00 N ATOM 422 NH2 ARG A 31 1.419 4.490 4.886 1.00 0.00 N ATOM 0 H ARG A 31 -2.791 2.006 1.470 1.00 0.00 H new ATOM 0 HA ARG A 31 -4.966 3.750 2.331 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -2.669 4.260 0.406 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -3.705 5.467 1.142 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.949 5.652 2.586 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.777 4.339 3.400 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -1.278 2.717 2.623 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -0.813 3.660 1.222 1.00 0.00 H new ATOM 0 HE ARG A 31 0.797 4.791 2.497 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -1.356 2.893 4.552 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -0.351 3.096 5.991 1.00 0.00 H new ATOM 0 HH21 ARG A 31 2.082 5.048 4.348 1.00 0.00 H new ATOM 0 HH22 ARG A 31 1.588 4.311 5.876 1.00 0.00 H new ATOM 436 N CYS A 32 -4.671 2.541 -0.713 1.00 0.00 N ATOM 437 CA CYS A 32 -5.379 2.337 -1.971 1.00 0.00 C ATOM 438 C CYS A 32 -6.454 1.264 -1.822 1.00 0.00 C ATOM 439 O CYS A 32 -7.472 1.292 -2.512 1.00 0.00 O ATOM 440 CB CYS A 32 -4.397 1.942 -3.075 1.00 0.00 C ATOM 441 SG CYS A 32 -3.357 3.313 -3.671 1.00 0.00 S ATOM 0 H CYS A 32 -3.783 2.044 -0.644 1.00 0.00 H new ATOM 0 HA CYS A 32 -5.862 3.275 -2.244 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -3.752 1.145 -2.705 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -4.957 1.533 -3.916 1.00 0.00 H new ATOM 446 N GLN A 33 -6.218 0.319 -0.917 1.00 0.00 N ATOM 447 CA GLN A 33 -7.165 -0.763 -0.678 1.00 0.00 C ATOM 448 C GLN A 33 -8.440 -0.237 -0.027 1.00 0.00 C ATOM 449 O GLN A 33 -9.535 -0.731 -0.296 1.00 0.00 O ATOM 450 CB GLN A 33 -6.532 -1.837 0.208 1.00 0.00 C ATOM 451 CG GLN A 33 -5.425 -2.619 -0.481 1.00 0.00 C ATOM 452 CD GLN A 33 -5.265 -4.019 0.077 1.00 0.00 C ATOM 453 OE1 GLN A 33 -6.206 -4.813 0.073 1.00 0.00 O ATOM 454 NE2 GLN A 33 -4.068 -4.331 0.561 1.00 0.00 N ATOM 0 H GLN A 33 -5.379 0.281 -0.338 1.00 0.00 H new ATOM 0 HA GLN A 33 -7.425 -1.203 -1.641 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -6.129 -1.366 1.104 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -7.307 -2.531 0.534 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -5.638 -2.680 -1.548 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -4.484 -2.080 -0.374 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -3.316 -3.642 0.545 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -3.901 -5.259 0.949 1.00 0.00 H new ATOM 463 N ALA A 34 -8.290 0.767 0.830 1.00 0.00 N ATOM 464 CA ALA A 34 -9.430 1.361 1.518 1.00 0.00 C ATOM 465 C ALA A 34 -10.103 2.420 0.652 1.00 0.00 C ATOM 466 O ALA A 34 -11.329 2.523 0.623 1.00 0.00 O ATOM 467 CB ALA A 34 -8.991 1.963 2.845 1.00 0.00 C ATOM 0 H ALA A 34 -7.390 1.186 1.065 1.00 0.00 H new ATOM 0 HA ALA A 34 -10.157 0.572 1.712 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -9.852 2.403 3.348 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -8.563 1.183 3.474 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -8.243 2.735 2.665 1.00 0.00 H new ATOM 473 N GLU A 35 -9.293 3.205 -0.052 1.00 0.00 N ATOM 474 CA GLU A 35 -9.812 4.258 -0.918 1.00 0.00 C ATOM 475 C GLU A 35 -10.281 3.683 -2.251 1.00 0.00 C ATOM 476 O GLU A 35 -10.935 4.367 -3.037 1.00 0.00 O ATOM 477 CB GLU A 35 -8.742 5.325 -1.158 1.00 0.00 C ATOM 478 CG GLU A 35 -8.422 6.154 0.075 1.00 0.00 C ATOM 479 CD GLU A 35 -7.797 7.492 -0.268 1.00 0.00 C ATOM 480 OE1 GLU A 35 -6.989 7.544 -1.219 1.00 0.00 O ATOM 481 OE2 GLU A 35 -8.117 8.488 0.414 1.00 0.00 O ATOM 0 H GLU A 35 -8.276 3.132 -0.040 1.00 0.00 H new ATOM 0 HA GLU A 35 -10.666 4.716 -0.419 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -7.830 4.841 -1.507 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.075 5.989 -1.956 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.337 6.320 0.644 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -7.743 5.594 0.718 1.00 0.00 H new ATOM 488 N ASN A 36 -9.941 2.422 -2.498 1.00 0.00 N ATOM 489 CA ASN A 36 -10.326 1.755 -3.737 1.00 0.00 C ATOM 490 C ASN A 36 -9.574 2.342 -4.927 1.00 0.00 C ATOM 491 O ASN A 36 -10.149 2.557 -5.995 1.00 0.00 O ATOM 492 CB ASN A 36 -11.835 1.881 -3.960 1.00 0.00 C ATOM 493 CG ASN A 36 -12.635 1.504 -2.728 1.00 0.00 C ATOM 494 OD1 ASN A 36 -12.071 1.152 -1.692 1.00 0.00 O ATOM 495 ND2 ASN A 36 -13.956 1.576 -2.837 1.00 0.00 N ATOM 0 H ASN A 36 -9.400 1.842 -1.857 1.00 0.00 H new ATOM 0 HA ASN A 36 -10.065 0.700 -3.650 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -12.073 2.906 -4.245 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -12.131 1.242 -4.792 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -14.547 1.334 -2.042 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -14.380 1.873 -3.716 1.00 0.00 H new ATOM 502 N LYS A 37 -8.284 2.599 -4.736 1.00 0.00 N ATOM 503 CA LYS A 37 -7.451 3.159 -5.794 1.00 0.00 C ATOM 504 C LYS A 37 -6.431 2.136 -6.282 1.00 0.00 C ATOM 505 O LYS A 37 -5.372 2.498 -6.795 1.00 0.00 O ATOM 506 CB LYS A 37 -6.731 4.414 -5.294 1.00 0.00 C ATOM 507 CG LYS A 37 -7.668 5.465 -4.722 1.00 0.00 C ATOM 508 CD LYS A 37 -7.121 6.868 -4.926 1.00 0.00 C ATOM 509 CE LYS A 37 -8.022 7.915 -4.288 1.00 0.00 C ATOM 510 NZ LYS A 37 -9.077 8.385 -5.228 1.00 0.00 N ATOM 0 H LYS A 37 -7.793 2.428 -3.858 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.099 3.427 -6.629 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -6.009 4.128 -4.529 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -6.167 4.852 -6.118 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -8.645 5.381 -5.198 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -7.816 5.282 -3.658 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -6.121 6.936 -4.497 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -7.024 7.071 -5.993 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -8.490 7.497 -3.396 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -7.420 8.764 -3.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -9.670 9.097 -4.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -8.631 8.807 -6.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -9.668 7.580 -5.518 1.00 0.00 H new ATOM 524 N GLN A 38 -6.757 0.858 -6.120 1.00 0.00 N ATOM 525 CA GLN A 38 -5.868 -0.217 -6.546 1.00 0.00 C ATOM 526 C GLN A 38 -5.493 -0.063 -8.016 1.00 0.00 C ATOM 527 O GLN A 38 -4.316 -0.094 -8.372 1.00 0.00 O ATOM 528 CB GLN A 38 -6.531 -1.576 -6.315 1.00 0.00 C ATOM 529 CG GLN A 38 -7.022 -1.781 -4.891 1.00 0.00 C ATOM 530 CD GLN A 38 -8.235 -2.687 -4.816 1.00 0.00 C ATOM 531 OE1 GLN A 38 -8.406 -3.583 -5.643 1.00 0.00 O ATOM 532 NE2 GLN A 38 -9.084 -2.458 -3.822 1.00 0.00 N ATOM 0 H GLN A 38 -7.630 0.541 -5.697 1.00 0.00 H new ATOM 0 HA GLN A 38 -4.957 -0.159 -5.950 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -7.373 -1.681 -6.999 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -5.820 -2.364 -6.562 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -6.218 -2.207 -4.291 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -7.268 -0.814 -4.453 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -8.902 -1.704 -3.159 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -9.918 -3.036 -3.721 1.00 0.00 H new ATOM 541 N GLU A 39 -6.503 0.102 -8.865 1.00 0.00 N ATOM 542 CA GLU A 39 -6.278 0.259 -10.297 1.00 0.00 C ATOM 543 C GLU A 39 -5.077 1.163 -10.563 1.00 0.00 C ATOM 544 O GLU A 39 -4.350 0.975 -11.539 1.00 0.00 O ATOM 545 CB GLU A 39 -7.524 0.836 -10.972 1.00 0.00 C ATOM 546 CG GLU A 39 -8.776 0.005 -10.750 1.00 0.00 C ATOM 547 CD GLU A 39 -8.665 -1.387 -11.342 1.00 0.00 C ATOM 548 OE1 GLU A 39 -7.884 -2.199 -10.802 1.00 0.00 O ATOM 549 OE2 GLU A 39 -9.357 -1.664 -12.343 1.00 0.00 O ATOM 0 H GLU A 39 -7.484 0.130 -8.586 1.00 0.00 H new ATOM 0 HA GLU A 39 -6.070 -0.726 -10.716 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -7.696 1.845 -10.596 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -7.340 0.922 -12.043 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -8.970 -0.074 -9.680 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -9.631 0.517 -11.193 1.00 0.00 H new ATOM 556 N ASP A 40 -4.877 2.143 -9.689 1.00 0.00 N ATOM 557 CA ASP A 40 -3.766 3.076 -9.829 1.00 0.00 C ATOM 558 C ASP A 40 -2.530 2.563 -9.095 1.00 0.00 C ATOM 559 O ASP A 40 -1.409 2.673 -9.593 1.00 0.00 O ATOM 560 CB ASP A 40 -4.158 4.454 -9.291 1.00 0.00 C ATOM 561 CG ASP A 40 -3.257 5.556 -9.813 1.00 0.00 C ATOM 562 OD1 ASP A 40 -2.994 5.580 -11.034 1.00 0.00 O ATOM 563 OD2 ASP A 40 -2.818 6.397 -9.001 1.00 0.00 O ATOM 0 H ASP A 40 -5.470 2.312 -8.876 1.00 0.00 H new ATOM 0 HA ASP A 40 -3.528 3.163 -10.889 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -5.190 4.670 -9.569 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -4.118 4.441 -8.202 1.00 0.00 H new ATOM 568 N CYS A 41 -2.743 2.004 -7.909 1.00 0.00 N ATOM 569 CA CYS A 41 -1.648 1.475 -7.105 1.00 0.00 C ATOM 570 C CYS A 41 -0.860 0.424 -7.882 1.00 0.00 C ATOM 571 O CYS A 41 -1.181 -0.764 -7.841 1.00 0.00 O ATOM 572 CB CYS A 41 -2.186 0.868 -5.808 1.00 0.00 C ATOM 573 SG CYS A 41 -0.966 0.796 -4.458 1.00 0.00 S ATOM 0 H CYS A 41 -3.665 1.906 -7.483 1.00 0.00 H new ATOM 0 HA CYS A 41 -0.978 2.300 -6.862 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -3.045 1.451 -5.476 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -2.545 -0.141 -6.013 1.00 0.00 H new ATOM 578 N VAL A 42 0.172 0.871 -8.590 1.00 0.00 N ATOM 579 CA VAL A 42 1.007 -0.030 -9.376 1.00 0.00 C ATOM 580 C VAL A 42 2.345 -0.280 -8.689 1.00 0.00 C ATOM 581 O VAL A 42 2.624 0.280 -7.629 1.00 0.00 O ATOM 582 CB VAL A 42 1.264 0.531 -10.788 1.00 0.00 C ATOM 583 CG1 VAL A 42 -0.039 0.634 -11.566 1.00 0.00 C ATOM 584 CG2 VAL A 42 1.955 1.883 -10.705 1.00 0.00 C ATOM 0 H VAL A 42 0.450 1.851 -8.636 1.00 0.00 H new ATOM 0 HA VAL A 42 0.464 -0.971 -9.460 1.00 0.00 H new ATOM 0 HB VAL A 42 1.923 -0.155 -11.320 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.162 1.032 -12.561 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.489 -0.355 -11.655 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -0.725 1.299 -11.041 1.00 0.00 H new ATOM 0 HG21 VAL A 42 2.129 2.265 -11.711 1.00 0.00 H new ATOM 0 HG22 VAL A 42 1.323 2.581 -10.156 1.00 0.00 H new ATOM 0 HG23 VAL A 42 2.909 1.773 -10.189 1.00 0.00 H new ATOM 594 N VAL A 43 3.170 -1.124 -9.301 1.00 0.00 N ATOM 595 CA VAL A 43 4.480 -1.447 -8.749 1.00 0.00 C ATOM 596 C VAL A 43 5.585 -0.696 -9.482 1.00 0.00 C ATOM 597 O VAL A 43 5.649 -0.708 -10.712 1.00 0.00 O ATOM 598 CB VAL A 43 4.764 -2.959 -8.825 1.00 0.00 C ATOM 599 CG1 VAL A 43 6.171 -3.264 -8.334 1.00 0.00 C ATOM 600 CG2 VAL A 43 3.730 -3.736 -8.024 1.00 0.00 C ATOM 0 H VAL A 43 2.954 -1.596 -10.179 1.00 0.00 H new ATOM 0 HA VAL A 43 4.468 -1.140 -7.703 1.00 0.00 H new ATOM 0 HB VAL A 43 4.693 -3.272 -9.867 1.00 0.00 H new ATOM 0 HG11 VAL A 43 6.353 -4.337 -8.395 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.895 -2.737 -8.955 1.00 0.00 H new ATOM 0 HG13 VAL A 43 6.274 -2.937 -7.299 1.00 0.00 H new ATOM 0 HG21 VAL A 43 3.946 -4.802 -8.089 1.00 0.00 H new ATOM 0 HG22 VAL A 43 3.766 -3.421 -6.981 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.736 -3.542 -8.428 1.00 0.00 H new ATOM 610 N VAL A 44 6.456 -0.042 -8.720 1.00 0.00 N ATOM 611 CA VAL A 44 7.561 0.714 -9.296 1.00 0.00 C ATOM 612 C VAL A 44 8.904 0.111 -8.902 1.00 0.00 C ATOM 613 O VAL A 44 9.302 0.164 -7.738 1.00 0.00 O ATOM 614 CB VAL A 44 7.523 2.189 -8.855 1.00 0.00 C ATOM 615 CG1 VAL A 44 7.636 2.296 -7.342 1.00 0.00 C ATOM 616 CG2 VAL A 44 8.629 2.978 -9.538 1.00 0.00 C ATOM 0 H VAL A 44 6.417 -0.021 -7.701 1.00 0.00 H new ATOM 0 HA VAL A 44 7.448 0.664 -10.379 1.00 0.00 H new ATOM 0 HB VAL A 44 6.566 2.616 -9.155 1.00 0.00 H new ATOM 0 HG11 VAL A 44 7.607 3.345 -7.048 1.00 0.00 H new ATOM 0 HG12 VAL A 44 6.805 1.766 -6.877 1.00 0.00 H new ATOM 0 HG13 VAL A 44 8.577 1.853 -7.015 1.00 0.00 H new ATOM 0 HG21 VAL A 44 8.587 4.018 -9.215 1.00 0.00 H new ATOM 0 HG22 VAL A 44 9.597 2.554 -9.271 1.00 0.00 H new ATOM 0 HG23 VAL A 44 8.497 2.929 -10.619 1.00 0.00 H new ATOM 626 N TRP A 45 9.599 -0.461 -9.878 1.00 0.00 N ATOM 627 CA TRP A 45 10.900 -1.074 -9.633 1.00 0.00 C ATOM 628 C TRP A 45 12.018 -0.046 -9.757 1.00 0.00 C ATOM 629 O TRP A 45 11.997 0.805 -10.646 1.00 0.00 O ATOM 630 CB TRP A 45 11.137 -2.225 -10.612 1.00 0.00 C ATOM 631 CG TRP A 45 10.210 -3.384 -10.403 1.00 0.00 C ATOM 632 CD1 TRP A 45 10.453 -4.505 -9.662 1.00 0.00 C ATOM 633 CD2 TRP A 45 8.892 -3.535 -10.942 1.00 0.00 C ATOM 634 NE1 TRP A 45 9.366 -5.344 -9.709 1.00 0.00 N ATOM 635 CE2 TRP A 45 8.395 -4.772 -10.487 1.00 0.00 C ATOM 636 CE3 TRP A 45 8.083 -2.746 -11.764 1.00 0.00 C ATOM 637 CZ2 TRP A 45 7.127 -5.236 -10.828 1.00 0.00 C ATOM 638 CZ3 TRP A 45 6.825 -3.207 -12.102 1.00 0.00 C ATOM 639 CH2 TRP A 45 6.357 -4.442 -11.634 1.00 0.00 C ATOM 0 H TRP A 45 9.284 -0.513 -10.847 1.00 0.00 H new ATOM 0 HA TRP A 45 10.904 -1.465 -8.616 1.00 0.00 H new ATOM 0 HB2 TRP A 45 11.021 -1.855 -11.631 1.00 0.00 H new ATOM 0 HB3 TRP A 45 12.166 -2.570 -10.513 1.00 0.00 H new ATOM 0 HD1 TRP A 45 11.365 -4.703 -9.119 1.00 0.00 H new ATOM 0 HE1 TRP A 45 9.294 -6.247 -9.240 1.00 0.00 H new ATOM 0 HE3 TRP A 45 8.435 -1.792 -12.129 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 6.764 -6.188 -10.469 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 6.192 -2.605 -12.737 1.00 0.00 H new ATOM 0 HH2 TRP A 45 5.369 -4.774 -11.915 1.00 0.00 H new ATOM 650 N GLY A 46 12.996 -0.130 -8.859 1.00 0.00 N ATOM 651 CA GLY A 46 14.110 0.800 -8.887 1.00 0.00 C ATOM 652 C GLY A 46 15.403 0.143 -9.326 1.00 0.00 C ATOM 653 O GLY A 46 15.536 -1.079 -9.270 1.00 0.00 O ATOM 0 H GLY A 46 13.036 -0.825 -8.113 1.00 0.00 H new ATOM 0 HA2 GLY A 46 13.876 1.622 -9.563 1.00 0.00 H new ATOM 0 HA3 GLY A 46 14.244 1.232 -7.895 1.00 0.00 H new ATOM 657 N GLU A 47 16.358 0.956 -9.767 1.00 0.00 N ATOM 658 CA GLU A 47 17.647 0.444 -10.221 1.00 0.00 C ATOM 659 C GLU A 47 18.324 -0.372 -9.124 1.00 0.00 C ATOM 660 O GLU A 47 19.166 -1.227 -9.400 1.00 0.00 O ATOM 661 CB GLU A 47 18.556 1.598 -10.649 1.00 0.00 C ATOM 662 CG GLU A 47 18.323 2.058 -12.079 1.00 0.00 C ATOM 663 CD GLU A 47 18.619 0.973 -13.096 1.00 0.00 C ATOM 664 OE1 GLU A 47 19.807 0.779 -13.429 1.00 0.00 O ATOM 665 OE2 GLU A 47 17.662 0.318 -13.559 1.00 0.00 O ATOM 0 H GLU A 47 16.264 1.970 -9.820 1.00 0.00 H new ATOM 0 HA GLU A 47 17.471 -0.207 -11.077 1.00 0.00 H new ATOM 0 HB2 GLU A 47 18.401 2.441 -9.975 1.00 0.00 H new ATOM 0 HB3 GLU A 47 19.596 1.290 -10.540 1.00 0.00 H new ATOM 0 HG2 GLU A 47 17.288 2.381 -12.189 1.00 0.00 H new ATOM 0 HG3 GLU A 47 18.951 2.925 -12.285 1.00 0.00 H new ATOM 672 N CYS A 48 17.952 -0.101 -7.877 1.00 0.00 N ATOM 673 CA CYS A 48 18.523 -0.808 -6.737 1.00 0.00 C ATOM 674 C CYS A 48 17.901 -2.193 -6.589 1.00 0.00 C ATOM 675 O CYS A 48 18.140 -2.890 -5.604 1.00 0.00 O ATOM 676 CB CYS A 48 18.312 -0.002 -5.454 1.00 0.00 C ATOM 677 SG CYS A 48 16.564 0.313 -5.052 1.00 0.00 S ATOM 0 H CYS A 48 17.257 0.604 -7.631 1.00 0.00 H new ATOM 0 HA CYS A 48 19.592 -0.927 -6.912 1.00 0.00 H new ATOM 0 HB2 CYS A 48 18.774 -0.535 -4.623 1.00 0.00 H new ATOM 0 HB3 CYS A 48 18.830 0.953 -5.548 1.00 0.00 H new ATOM 682 N ASN A 49 17.102 -2.586 -7.576 1.00 0.00 N ATOM 683 CA ASN A 49 16.446 -3.888 -7.556 1.00 0.00 C ATOM 684 C ASN A 49 15.459 -3.982 -6.396 1.00 0.00 C ATOM 685 O ASN A 49 15.412 -4.988 -5.687 1.00 0.00 O ATOM 686 CB ASN A 49 17.485 -5.005 -7.448 1.00 0.00 C ATOM 687 CG ASN A 49 17.951 -5.495 -8.805 1.00 0.00 C ATOM 688 OD1 ASN A 49 19.080 -5.233 -9.219 1.00 0.00 O ATOM 689 ND2 ASN A 49 17.079 -6.211 -9.506 1.00 0.00 N ATOM 0 H ASN A 49 16.893 -2.021 -8.399 1.00 0.00 H new ATOM 0 HA ASN A 49 15.895 -4.003 -8.489 1.00 0.00 H new ATOM 0 HB2 ASN A 49 18.343 -4.645 -6.880 1.00 0.00 H new ATOM 0 HB3 ASN A 49 17.061 -5.839 -6.890 1.00 0.00 H new ATOM 0 HD21 ASN A 49 17.335 -6.568 -10.427 1.00 0.00 H new ATOM 0 HD22 ASN A 49 16.153 -6.404 -9.124 1.00 0.00 H new ATOM 696 N HIS A 50 14.673 -2.927 -6.208 1.00 0.00 N ATOM 697 CA HIS A 50 13.686 -2.891 -5.135 1.00 0.00 C ATOM 698 C HIS A 50 12.359 -2.328 -5.635 1.00 0.00 C ATOM 699 O HIS A 50 12.287 -1.180 -6.075 1.00 0.00 O ATOM 700 CB HIS A 50 14.202 -2.049 -3.967 1.00 0.00 C ATOM 701 CG HIS A 50 15.378 -2.656 -3.266 1.00 0.00 C ATOM 702 ND1 HIS A 50 16.330 -1.907 -2.606 1.00 0.00 N ATOM 703 CD2 HIS A 50 15.753 -3.948 -3.122 1.00 0.00 C ATOM 704 CE1 HIS A 50 17.240 -2.712 -2.089 1.00 0.00 C ATOM 705 NE2 HIS A 50 16.913 -3.956 -2.387 1.00 0.00 N ATOM 0 H HIS A 50 14.700 -2.086 -6.784 1.00 0.00 H new ATOM 0 HA HIS A 50 13.521 -3.913 -4.793 1.00 0.00 H new ATOM 0 HB2 HIS A 50 14.479 -1.062 -4.336 1.00 0.00 H new ATOM 0 HB3 HIS A 50 13.395 -1.906 -3.248 1.00 0.00 H new ATOM 0 HD2 HIS A 50 15.236 -4.812 -3.512 1.00 0.00 H new ATOM 0 HE1 HIS A 50 18.105 -2.405 -1.519 1.00 0.00 H new ATOM 0 HE2 HIS A 50 17.437 -4.788 -2.115 1.00 0.00 H new ATOM 713 N SER A 51 11.312 -3.143 -5.566 1.00 0.00 N ATOM 714 CA SER A 51 9.988 -2.728 -6.016 1.00 0.00 C ATOM 715 C SER A 51 9.211 -2.069 -4.882 1.00 0.00 C ATOM 716 O SER A 51 9.298 -2.488 -3.727 1.00 0.00 O ATOM 717 CB SER A 51 9.209 -3.930 -6.553 1.00 0.00 C ATOM 718 OG SER A 51 8.914 -4.850 -5.517 1.00 0.00 O ATOM 0 H SER A 51 11.354 -4.095 -5.203 1.00 0.00 H new ATOM 0 HA SER A 51 10.115 -2.000 -6.817 1.00 0.00 H new ATOM 0 HB2 SER A 51 8.283 -3.590 -7.016 1.00 0.00 H new ATOM 0 HB3 SER A 51 9.790 -4.426 -7.330 1.00 0.00 H new ATOM 0 HG SER A 51 8.712 -5.727 -5.906 1.00 0.00 H new ATOM 724 N PHE A 52 8.449 -1.033 -5.219 1.00 0.00 N ATOM 725 CA PHE A 52 7.655 -0.313 -4.229 1.00 0.00 C ATOM 726 C PHE A 52 6.331 0.152 -4.828 1.00 0.00 C ATOM 727 O PHE A 52 6.012 -0.161 -5.975 1.00 0.00 O ATOM 728 CB PHE A 52 8.437 0.889 -3.694 1.00 0.00 C ATOM 729 CG PHE A 52 9.688 0.509 -2.956 1.00 0.00 C ATOM 730 CD1 PHE A 52 9.651 0.234 -1.598 1.00 0.00 C ATOM 731 CD2 PHE A 52 10.902 0.428 -3.619 1.00 0.00 C ATOM 732 CE1 PHE A 52 10.801 -0.114 -0.916 1.00 0.00 C ATOM 733 CE2 PHE A 52 12.056 0.080 -2.942 1.00 0.00 C ATOM 734 CZ PHE A 52 12.005 -0.193 -1.589 1.00 0.00 C ATOM 0 H PHE A 52 8.365 -0.673 -6.170 1.00 0.00 H new ATOM 0 HA PHE A 52 7.441 -0.994 -3.405 1.00 0.00 H new ATOM 0 HB2 PHE A 52 8.700 1.541 -4.527 1.00 0.00 H new ATOM 0 HB3 PHE A 52 7.793 1.465 -3.029 1.00 0.00 H new ATOM 0 HD1 PHE A 52 8.712 0.292 -1.067 1.00 0.00 H new ATOM 0 HD2 PHE A 52 10.947 0.639 -4.677 1.00 0.00 H new ATOM 0 HE1 PHE A 52 10.759 -0.324 0.143 1.00 0.00 H new ATOM 0 HE2 PHE A 52 12.996 0.022 -3.470 1.00 0.00 H new ATOM 0 HZ PHE A 52 12.905 -0.468 -1.058 1.00 0.00 H new ATOM 744 N HIS A 53 5.564 0.901 -4.042 1.00 0.00 N ATOM 745 CA HIS A 53 4.274 1.410 -4.494 1.00 0.00 C ATOM 746 C HIS A 53 4.417 2.814 -5.073 1.00 0.00 C ATOM 747 O HIS A 53 4.743 3.761 -4.357 1.00 0.00 O ATOM 748 CB HIS A 53 3.274 1.422 -3.337 1.00 0.00 C ATOM 749 CG HIS A 53 2.824 0.056 -2.920 1.00 0.00 C ATOM 750 ND1 HIS A 53 2.819 -0.367 -1.608 1.00 0.00 N ATOM 751 CD2 HIS A 53 2.360 -0.985 -3.651 1.00 0.00 C ATOM 752 CE1 HIS A 53 2.374 -1.610 -1.550 1.00 0.00 C ATOM 753 NE2 HIS A 53 2.088 -2.008 -2.776 1.00 0.00 N ATOM 0 H HIS A 53 5.813 1.169 -3.090 1.00 0.00 H new ATOM 0 HA HIS A 53 3.904 0.749 -5.278 1.00 0.00 H new ATOM 0 HB2 HIS A 53 3.727 1.923 -2.482 1.00 0.00 H new ATOM 0 HB3 HIS A 53 2.403 2.010 -3.627 1.00 0.00 H new ATOM 0 HD2 HIS A 53 2.228 -1.007 -4.723 1.00 0.00 H new ATOM 0 HE1 HIS A 53 2.263 -2.200 -0.652 1.00 0.00 H new ATOM 0 HE2 HIS A 53 1.724 -2.926 -3.032 1.00 0.00 H new ATOM 761 N ASN A 54 4.171 2.941 -6.373 1.00 0.00 N ATOM 762 CA ASN A 54 4.274 4.229 -7.048 1.00 0.00 C ATOM 763 C ASN A 54 3.680 5.342 -6.190 1.00 0.00 C ATOM 764 O ASN A 54 4.225 6.444 -6.119 1.00 0.00 O ATOM 765 CB ASN A 54 3.561 4.178 -8.401 1.00 0.00 C ATOM 766 CG ASN A 54 2.103 4.584 -8.302 1.00 0.00 C ATOM 767 OD1 ASN A 54 1.260 3.658 -7.861 1.00 0.00 O flip ATOM 768 ND2 ASN A 54 1.740 5.718 -8.618 1.00 0.00 N flip ATOM 0 H ASN A 54 3.899 2.167 -6.980 1.00 0.00 H new ATOM 0 HA ASN A 54 5.331 4.443 -7.209 1.00 0.00 H new ATOM 0 HB2 ASN A 54 4.072 4.837 -9.103 1.00 0.00 H new ATOM 0 HB3 ASN A 54 3.627 3.168 -8.806 1.00 0.00 H new ATOM 0 HD21 ASN A 54 2.423 6.398 -8.952 1.00 0.00 H new ATOM 0 HD22 ASN A 54 0.756 5.977 -8.546 1.00 0.00 H new ATOM 775 N CYS A 55 2.561 5.046 -5.538 1.00 0.00 N ATOM 776 CA CYS A 55 1.892 6.020 -4.684 1.00 0.00 C ATOM 777 C CYS A 55 2.734 6.330 -3.450 1.00 0.00 C ATOM 778 O CYS A 55 2.958 7.493 -3.113 1.00 0.00 O ATOM 779 CB CYS A 55 0.518 5.499 -4.259 1.00 0.00 C ATOM 780 SG CYS A 55 0.558 3.863 -3.459 1.00 0.00 S ATOM 0 H CYS A 55 2.098 4.138 -5.585 1.00 0.00 H new ATOM 0 HA CYS A 55 1.764 6.939 -5.256 1.00 0.00 H new ATOM 0 HB2 CYS A 55 0.066 6.216 -3.574 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -0.126 5.447 -5.137 1.00 0.00 H new ATOM 785 N CYS A 56 3.199 5.281 -2.779 1.00 0.00 N ATOM 786 CA CYS A 56 4.017 5.439 -1.582 1.00 0.00 C ATOM 787 C CYS A 56 5.325 6.154 -1.908 1.00 0.00 C ATOM 788 O CYS A 56 5.605 7.229 -1.378 1.00 0.00 O ATOM 789 CB CYS A 56 4.311 4.075 -0.956 1.00 0.00 C ATOM 790 SG CYS A 56 2.825 3.165 -0.424 1.00 0.00 S ATOM 0 H CYS A 56 3.023 4.312 -3.044 1.00 0.00 H new ATOM 0 HA CYS A 56 3.459 6.046 -0.869 1.00 0.00 H new ATOM 0 HB2 CYS A 56 4.858 3.467 -1.677 1.00 0.00 H new ATOM 0 HB3 CYS A 56 4.965 4.215 -0.096 1.00 0.00 H new ATOM 795 N MET A 57 6.122 5.550 -2.783 1.00 0.00 N ATOM 796 CA MET A 57 7.399 6.130 -3.180 1.00 0.00 C ATOM 797 C MET A 57 7.269 7.633 -3.401 1.00 0.00 C ATOM 798 O MET A 57 8.020 8.422 -2.827 1.00 0.00 O ATOM 799 CB MET A 57 7.914 5.458 -4.455 1.00 0.00 C ATOM 800 CG MET A 57 9.431 5.411 -4.547 1.00 0.00 C ATOM 801 SD MET A 57 10.143 4.053 -3.597 1.00 0.00 S ATOM 802 CE MET A 57 11.345 4.930 -2.601 1.00 0.00 C ATOM 0 H MET A 57 5.906 4.659 -3.230 1.00 0.00 H new ATOM 0 HA MET A 57 8.113 5.960 -2.374 1.00 0.00 H new ATOM 0 HB2 MET A 57 7.524 4.441 -4.503 1.00 0.00 H new ATOM 0 HB3 MET A 57 7.522 5.991 -5.321 1.00 0.00 H new ATOM 0 HG2 MET A 57 9.725 5.311 -5.592 1.00 0.00 H new ATOM 0 HG3 MET A 57 9.842 6.355 -4.189 1.00 0.00 H new ATOM 0 HE1 MET A 57 12.169 4.261 -2.353 1.00 0.00 H new ATOM 0 HE2 MET A 57 11.727 5.784 -3.160 1.00 0.00 H new ATOM 0 HE3 MET A 57 10.872 5.279 -1.683 1.00 0.00 H new ATOM 812 N SER A 58 6.312 8.023 -4.237 1.00 0.00 N ATOM 813 CA SER A 58 6.086 9.432 -4.536 1.00 0.00 C ATOM 814 C SER A 58 5.979 10.250 -3.253 1.00 0.00 C ATOM 815 O SER A 58 6.360 11.421 -3.215 1.00 0.00 O ATOM 816 CB SER A 58 4.814 9.601 -5.369 1.00 0.00 C ATOM 817 OG SER A 58 4.873 10.777 -6.158 1.00 0.00 O ATOM 0 H SER A 58 5.681 7.383 -4.719 1.00 0.00 H new ATOM 0 HA SER A 58 6.938 9.797 -5.109 1.00 0.00 H new ATOM 0 HB2 SER A 58 4.680 8.733 -6.014 1.00 0.00 H new ATOM 0 HB3 SER A 58 3.947 9.645 -4.710 1.00 0.00 H new ATOM 0 HG SER A 58 4.049 10.861 -6.682 1.00 0.00 H new ATOM 823 N LEU A 59 5.459 9.626 -2.202 1.00 0.00 N ATOM 824 CA LEU A 59 5.301 10.294 -0.915 1.00 0.00 C ATOM 825 C LEU A 59 6.584 10.207 -0.096 1.00 0.00 C ATOM 826 O LEU A 59 7.106 11.221 0.368 1.00 0.00 O ATOM 827 CB LEU A 59 4.140 9.674 -0.135 1.00 0.00 C ATOM 828 CG LEU A 59 2.782 9.679 -0.836 1.00 0.00 C ATOM 829 CD1 LEU A 59 1.839 8.682 -0.180 1.00 0.00 C ATOM 830 CD2 LEU A 59 2.179 11.077 -0.820 1.00 0.00 C ATOM 0 H LEU A 59 5.139 8.657 -2.216 1.00 0.00 H new ATOM 0 HA LEU A 59 5.083 11.345 -1.103 1.00 0.00 H new ATOM 0 HB2 LEU A 59 4.399 8.643 0.104 1.00 0.00 H new ATOM 0 HB3 LEU A 59 4.040 10.205 0.811 1.00 0.00 H new ATOM 0 HG LEU A 59 2.929 9.380 -1.874 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.877 8.700 -0.692 1.00 0.00 H new ATOM 0 HD12 LEU A 59 2.266 7.681 -0.244 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.697 8.950 0.867 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.212 11.062 -1.323 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.046 11.404 0.211 1.00 0.00 H new ATOM 0 HD23 LEU A 59 2.846 11.767 -1.336 1.00 0.00 H new ATOM 842 N TRP A 60 7.088 8.990 0.077 1.00 0.00 N ATOM 843 CA TRP A 60 8.312 8.771 0.840 1.00 0.00 C ATOM 844 C TRP A 60 9.420 9.706 0.370 1.00 0.00 C ATOM 845 O TRP A 60 10.125 10.307 1.181 1.00 0.00 O ATOM 846 CB TRP A 60 8.765 7.316 0.709 1.00 0.00 C ATOM 847 CG TRP A 60 10.174 7.090 1.165 1.00 0.00 C ATOM 848 CD1 TRP A 60 11.305 7.173 0.404 1.00 0.00 C ATOM 849 CD2 TRP A 60 10.602 6.742 2.486 1.00 0.00 C ATOM 850 NE1 TRP A 60 12.410 6.897 1.172 1.00 0.00 N ATOM 851 CE2 TRP A 60 12.006 6.630 2.454 1.00 0.00 C ATOM 852 CE3 TRP A 60 9.937 6.515 3.694 1.00 0.00 C ATOM 853 CZ2 TRP A 60 12.753 6.301 3.582 1.00 0.00 C ATOM 854 CZ3 TRP A 60 10.679 6.189 4.812 1.00 0.00 C ATOM 855 CH2 TRP A 60 12.075 6.085 4.751 1.00 0.00 C ATOM 0 H TRP A 60 6.668 8.140 -0.300 1.00 0.00 H new ATOM 0 HA TRP A 60 8.102 8.985 1.888 1.00 0.00 H new ATOM 0 HB2 TRP A 60 8.096 6.681 1.290 1.00 0.00 H new ATOM 0 HB3 TRP A 60 8.674 7.007 -0.332 1.00 0.00 H new ATOM 0 HD1 TRP A 60 11.327 7.419 -0.647 1.00 0.00 H new ATOM 0 HE1 TRP A 60 13.375 6.892 0.842 1.00 0.00 H new ATOM 0 HE3 TRP A 60 8.861 6.593 3.752 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 13.829 6.219 3.536 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 10.174 6.011 5.750 1.00 0.00 H new ATOM 0 HH2 TRP A 60 12.627 5.829 5.644 1.00 0.00 H new ATOM 866 N VAL A 61 9.571 9.825 -0.946 1.00 0.00 N ATOM 867 CA VAL A 61 10.593 10.688 -1.524 1.00 0.00 C ATOM 868 C VAL A 61 10.457 12.119 -1.014 1.00 0.00 C ATOM 869 O VAL A 61 11.434 12.865 -0.957 1.00 0.00 O ATOM 870 CB VAL A 61 10.520 10.694 -3.062 1.00 0.00 C ATOM 871 CG1 VAL A 61 10.957 9.349 -3.623 1.00 0.00 C ATOM 872 CG2 VAL A 61 9.114 11.043 -3.527 1.00 0.00 C ATOM 0 H VAL A 61 8.997 9.334 -1.632 1.00 0.00 H new ATOM 0 HA VAL A 61 11.558 10.285 -1.216 1.00 0.00 H new ATOM 0 HB VAL A 61 11.202 11.456 -3.438 1.00 0.00 H new ATOM 0 HG11 VAL A 61 10.899 9.372 -4.711 1.00 0.00 H new ATOM 0 HG12 VAL A 61 11.983 9.144 -3.319 1.00 0.00 H new ATOM 0 HG13 VAL A 61 10.302 8.566 -3.241 1.00 0.00 H new ATOM 0 HG21 VAL A 61 9.081 11.043 -4.616 1.00 0.00 H new ATOM 0 HG22 VAL A 61 8.410 10.305 -3.142 1.00 0.00 H new ATOM 0 HG23 VAL A 61 8.843 12.031 -3.156 1.00 0.00 H new ATOM 882 N LYS A 62 9.238 12.496 -0.645 1.00 0.00 N ATOM 883 CA LYS A 62 8.971 13.837 -0.138 1.00 0.00 C ATOM 884 C LYS A 62 9.799 14.120 1.112 1.00 0.00 C ATOM 885 O LYS A 62 10.328 15.218 1.280 1.00 0.00 O ATOM 886 CB LYS A 62 7.482 13.999 0.176 1.00 0.00 C ATOM 887 CG LYS A 62 6.577 13.723 -1.012 1.00 0.00 C ATOM 888 CD LYS A 62 5.153 14.184 -0.747 1.00 0.00 C ATOM 889 CE LYS A 62 4.307 14.132 -2.010 1.00 0.00 C ATOM 890 NZ LYS A 62 3.032 14.885 -1.854 1.00 0.00 N ATOM 0 H LYS A 62 8.418 11.891 -0.688 1.00 0.00 H new ATOM 0 HA LYS A 62 9.253 14.553 -0.910 1.00 0.00 H new ATOM 0 HB2 LYS A 62 7.215 13.325 0.990 1.00 0.00 H new ATOM 0 HB3 LYS A 62 7.302 15.014 0.531 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.967 14.232 -1.894 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.580 12.656 -1.233 1.00 0.00 H new ATOM 0 HD2 LYS A 62 4.702 13.555 0.020 1.00 0.00 H new ATOM 0 HD3 LYS A 62 5.165 15.202 -0.358 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.874 14.546 -2.844 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.088 13.093 -2.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.484 14.826 -2.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.479 14.474 -1.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 3.241 15.882 -1.643 1.00 0.00 H new ATOM 904 N GLN A 63 9.907 13.122 1.983 1.00 0.00 N ATOM 905 CA GLN A 63 10.671 13.266 3.217 1.00 0.00 C ATOM 906 C GLN A 63 12.099 12.761 3.035 1.00 0.00 C ATOM 907 O GLN A 63 13.054 13.403 3.469 1.00 0.00 O ATOM 908 CB GLN A 63 9.990 12.504 4.355 1.00 0.00 C ATOM 909 CG GLN A 63 8.585 12.998 4.663 1.00 0.00 C ATOM 910 CD GLN A 63 7.999 12.353 5.903 1.00 0.00 C ATOM 911 OE1 GLN A 63 7.848 11.133 5.971 1.00 0.00 O ATOM 912 NE2 GLN A 63 7.665 13.172 6.894 1.00 0.00 N ATOM 0 H GLN A 63 9.476 12.206 1.858 1.00 0.00 H new ATOM 0 HA GLN A 63 10.709 14.326 3.470 1.00 0.00 H new ATOM 0 HB2 GLN A 63 9.946 11.446 4.097 1.00 0.00 H new ATOM 0 HB3 GLN A 63 10.601 12.588 5.254 1.00 0.00 H new ATOM 0 HG2 GLN A 63 8.605 14.080 4.796 1.00 0.00 H new ATOM 0 HG3 GLN A 63 7.937 12.793 3.811 1.00 0.00 H new ATOM 0 HE21 GLN A 63 7.808 14.177 6.795 1.00 0.00 H new ATOM 0 HE22 GLN A 63 7.266 12.796 7.754 1.00 0.00 H new ATOM 921 N ASN A 64 12.235 11.607 2.389 1.00 0.00 N ATOM 922 CA ASN A 64 13.547 11.016 2.150 1.00 0.00 C ATOM 923 C ASN A 64 13.696 10.595 0.692 1.00 0.00 C ATOM 924 O ASN A 64 13.082 9.626 0.249 1.00 0.00 O ATOM 925 CB ASN A 64 13.760 9.809 3.066 1.00 0.00 C ATOM 926 CG ASN A 64 13.217 10.040 4.463 1.00 0.00 C ATOM 927 OD1 ASN A 64 12.032 10.319 4.642 1.00 0.00 O ATOM 928 ND2 ASN A 64 14.086 9.925 5.461 1.00 0.00 N ATOM 0 H ASN A 64 11.454 11.063 2.022 1.00 0.00 H new ATOM 0 HA ASN A 64 14.303 11.769 2.371 1.00 0.00 H new ATOM 0 HB2 ASN A 64 13.275 8.936 2.630 1.00 0.00 H new ATOM 0 HB3 ASN A 64 14.825 9.585 3.126 1.00 0.00 H new ATOM 0 HD21 ASN A 64 13.780 10.070 6.423 1.00 0.00 H new ATOM 0 HD22 ASN A 64 15.060 9.692 5.265 1.00 0.00 H new ATOM 935 N ASN A 65 14.517 11.332 -0.050 1.00 0.00 N ATOM 936 CA ASN A 65 14.748 11.035 -1.459 1.00 0.00 C ATOM 937 C ASN A 65 15.749 9.895 -1.618 1.00 0.00 C ATOM 938 O ASN A 65 16.635 9.948 -2.471 1.00 0.00 O ATOM 939 CB ASN A 65 15.257 12.281 -2.188 1.00 0.00 C ATOM 940 CG ASN A 65 14.390 13.497 -1.927 1.00 0.00 C ATOM 941 OD1 ASN A 65 14.425 14.077 -0.841 1.00 0.00 O ATOM 942 ND2 ASN A 65 13.607 13.890 -2.925 1.00 0.00 N ATOM 0 H ASN A 65 15.033 12.139 0.301 1.00 0.00 H new ATOM 0 HA ASN A 65 13.800 10.726 -1.899 1.00 0.00 H new ATOM 0 HB2 ASN A 65 16.279 12.492 -1.872 1.00 0.00 H new ATOM 0 HB3 ASN A 65 15.289 12.084 -3.260 1.00 0.00 H new ATOM 0 HD21 ASN A 65 13.002 14.703 -2.809 1.00 0.00 H new ATOM 0 HD22 ASN A 65 13.611 13.379 -3.808 1.00 0.00 H new ATOM 949 N ARG A 66 15.600 8.865 -0.792 1.00 0.00 N ATOM 950 CA ARG A 66 16.491 7.711 -0.840 1.00 0.00 C ATOM 951 C ARG A 66 15.753 6.437 -0.440 1.00 0.00 C ATOM 952 O ARG A 66 15.039 6.409 0.563 1.00 0.00 O ATOM 953 CB ARG A 66 17.692 7.929 0.082 1.00 0.00 C ATOM 954 CG ARG A 66 18.482 9.188 -0.234 1.00 0.00 C ATOM 955 CD ARG A 66 19.348 9.612 0.942 1.00 0.00 C ATOM 956 NE ARG A 66 19.818 10.988 0.808 1.00 0.00 N ATOM 957 CZ ARG A 66 20.624 11.578 1.684 1.00 0.00 C ATOM 958 NH1 ARG A 66 21.048 10.915 2.751 1.00 0.00 N ATOM 959 NH2 ARG A 66 21.008 12.834 1.493 1.00 0.00 N ATOM 0 H ARG A 66 14.871 8.805 -0.081 1.00 0.00 H new ATOM 0 HA ARG A 66 16.844 7.598 -1.865 1.00 0.00 H new ATOM 0 HB2 ARG A 66 17.343 7.979 1.113 1.00 0.00 H new ATOM 0 HB3 ARG A 66 18.355 7.067 0.011 1.00 0.00 H new ATOM 0 HG2 ARG A 66 19.111 9.014 -1.107 1.00 0.00 H new ATOM 0 HG3 ARG A 66 17.796 9.995 -0.491 1.00 0.00 H new ATOM 0 HD2 ARG A 66 18.779 9.512 1.866 1.00 0.00 H new ATOM 0 HD3 ARG A 66 20.205 8.943 1.021 1.00 0.00 H new ATOM 0 HE ARG A 66 19.511 11.526 -0.003 1.00 0.00 H new ATOM 0 HH11 ARG A 66 20.755 9.949 2.901 1.00 0.00 H new ATOM 0 HH12 ARG A 66 21.667 11.371 3.422 1.00 0.00 H new ATOM 0 HH21 ARG A 66 20.684 13.347 0.673 1.00 0.00 H new ATOM 0 HH22 ARG A 66 21.627 13.286 2.166 1.00 0.00 H new ATOM 973 N CYS A 67 15.929 5.384 -1.232 1.00 0.00 N ATOM 974 CA CYS A 67 15.280 4.107 -0.962 1.00 0.00 C ATOM 975 C CYS A 67 15.384 3.746 0.517 1.00 0.00 C ATOM 976 O CYS A 67 16.466 3.728 1.103 1.00 0.00 O ATOM 977 CB CYS A 67 15.909 3.002 -1.813 1.00 0.00 C ATOM 978 SG CYS A 67 14.956 1.450 -1.838 1.00 0.00 S ATOM 0 H CYS A 67 16.516 5.390 -2.066 1.00 0.00 H new ATOM 0 HA CYS A 67 14.226 4.201 -1.222 1.00 0.00 H new ATOM 0 HB2 CYS A 67 16.020 3.364 -2.835 1.00 0.00 H new ATOM 0 HB3 CYS A 67 16.911 2.795 -1.437 1.00 0.00 H new ATOM 983 N PRO A 68 14.231 3.451 1.136 1.00 0.00 N ATOM 984 CA PRO A 68 14.165 3.085 2.554 1.00 0.00 C ATOM 985 C PRO A 68 14.775 1.714 2.827 1.00 0.00 C ATOM 986 O PRO A 68 14.728 1.216 3.953 1.00 0.00 O ATOM 987 CB PRO A 68 12.662 3.069 2.846 1.00 0.00 C ATOM 988 CG PRO A 68 12.022 2.800 1.528 1.00 0.00 C ATOM 989 CD PRO A 68 12.903 3.453 0.499 1.00 0.00 C ATOM 0 HA PRO A 68 14.728 3.777 3.181 1.00 0.00 H new ATOM 0 HB2 PRO A 68 12.408 2.298 3.574 1.00 0.00 H new ATOM 0 HB3 PRO A 68 12.329 4.021 3.261 1.00 0.00 H new ATOM 0 HG2 PRO A 68 11.938 1.729 1.346 1.00 0.00 H new ATOM 0 HG3 PRO A 68 11.012 3.209 1.494 1.00 0.00 H new ATOM 0 HD2 PRO A 68 12.906 2.897 -0.438 1.00 0.00 H new ATOM 0 HD3 PRO A 68 12.570 4.465 0.268 1.00 0.00 H new ATOM 997 N LEU A 69 15.348 1.110 1.792 1.00 0.00 N ATOM 998 CA LEU A 69 15.969 -0.204 1.921 1.00 0.00 C ATOM 999 C LEU A 69 17.486 -0.104 1.792 1.00 0.00 C ATOM 1000 O LEU A 69 18.226 -0.567 2.661 1.00 0.00 O ATOM 1001 CB LEU A 69 15.417 -1.157 0.860 1.00 0.00 C ATOM 1002 CG LEU A 69 14.157 -1.933 1.245 1.00 0.00 C ATOM 1003 CD1 LEU A 69 13.078 -0.985 1.745 1.00 0.00 C ATOM 1004 CD2 LEU A 69 13.649 -2.746 0.064 1.00 0.00 C ATOM 0 H LEU A 69 15.396 1.509 0.854 1.00 0.00 H new ATOM 0 HA LEU A 69 15.732 -0.595 2.910 1.00 0.00 H new ATOM 0 HB2 LEU A 69 15.204 -0.582 -0.041 1.00 0.00 H new ATOM 0 HB3 LEU A 69 16.197 -1.874 0.603 1.00 0.00 H new ATOM 0 HG LEU A 69 14.410 -2.621 2.052 1.00 0.00 H new ATOM 0 HD11 LEU A 69 12.189 -1.555 2.014 1.00 0.00 H new ATOM 0 HD12 LEU A 69 13.443 -0.447 2.620 1.00 0.00 H new ATOM 0 HD13 LEU A 69 12.828 -0.272 0.959 1.00 0.00 H new ATOM 0 HD21 LEU A 69 12.752 -3.292 0.357 1.00 0.00 H new ATOM 0 HD22 LEU A 69 13.413 -2.077 -0.764 1.00 0.00 H new ATOM 0 HD23 LEU A 69 14.418 -3.453 -0.249 1.00 0.00 H new ATOM 1016 N CYS A 70 17.943 0.505 0.703 1.00 0.00 N ATOM 1017 CA CYS A 70 19.371 0.667 0.459 1.00 0.00 C ATOM 1018 C CYS A 70 19.810 2.102 0.738 1.00 0.00 C ATOM 1019 O CYS A 70 20.948 2.478 0.459 1.00 0.00 O ATOM 1020 CB CYS A 70 19.710 0.290 -0.984 1.00 0.00 C ATOM 1021 SG CYS A 70 18.595 1.022 -2.225 1.00 0.00 S ATOM 0 H CYS A 70 17.344 0.895 -0.025 1.00 0.00 H new ATOM 0 HA CYS A 70 19.908 0.002 1.136 1.00 0.00 H new ATOM 0 HB2 CYS A 70 20.732 0.603 -1.200 1.00 0.00 H new ATOM 0 HB3 CYS A 70 19.682 -0.795 -1.081 1.00 0.00 H new ATOM 1026 N GLN A 71 18.899 2.897 1.290 1.00 0.00 N ATOM 1027 CA GLN A 71 19.193 4.290 1.606 1.00 0.00 C ATOM 1028 C GLN A 71 20.162 4.886 0.590 1.00 0.00 C ATOM 1029 O GLN A 71 21.018 5.698 0.939 1.00 0.00 O ATOM 1030 CB GLN A 71 19.779 4.403 3.015 1.00 0.00 C ATOM 1031 CG GLN A 71 20.696 3.249 3.386 1.00 0.00 C ATOM 1032 CD GLN A 71 19.943 1.950 3.600 1.00 0.00 C ATOM 1033 OE1 GLN A 71 20.330 0.902 3.082 1.00 0.00 O ATOM 1034 NE2 GLN A 71 18.860 2.013 4.366 1.00 0.00 N ATOM 0 H GLN A 71 17.952 2.601 1.527 1.00 0.00 H new ATOM 0 HA GLN A 71 18.259 4.851 1.563 1.00 0.00 H new ATOM 0 HB2 GLN A 71 20.334 5.338 3.095 1.00 0.00 H new ATOM 0 HB3 GLN A 71 18.963 4.454 3.736 1.00 0.00 H new ATOM 0 HG2 GLN A 71 21.436 3.110 2.598 1.00 0.00 H new ATOM 0 HG3 GLN A 71 21.242 3.502 4.295 1.00 0.00 H new ATOM 0 HE21 GLN A 71 18.576 2.903 4.775 1.00 0.00 H new ATOM 0 HE22 GLN A 71 18.312 1.171 4.545 1.00 0.00 H new ATOM 1043 N GLN A 72 20.020 4.477 -0.666 1.00 0.00 N ATOM 1044 CA GLN A 72 20.884 4.970 -1.732 1.00 0.00 C ATOM 1045 C GLN A 72 20.069 5.678 -2.810 1.00 0.00 C ATOM 1046 O GLN A 72 18.847 5.543 -2.866 1.00 0.00 O ATOM 1047 CB GLN A 72 21.677 3.817 -2.350 1.00 0.00 C ATOM 1048 CG GLN A 72 22.812 3.320 -1.470 1.00 0.00 C ATOM 1049 CD GLN A 72 24.153 3.914 -1.855 1.00 0.00 C ATOM 1050 OE1 GLN A 72 24.498 5.020 -1.438 1.00 0.00 O ATOM 1051 NE2 GLN A 72 24.917 3.181 -2.657 1.00 0.00 N ATOM 0 H GLN A 72 19.315 3.806 -0.971 1.00 0.00 H new ATOM 0 HA GLN A 72 21.580 5.688 -1.298 1.00 0.00 H new ATOM 0 HB2 GLN A 72 20.998 2.989 -2.556 1.00 0.00 H new ATOM 0 HB3 GLN A 72 22.085 4.140 -3.308 1.00 0.00 H new ATOM 0 HG2 GLN A 72 22.595 3.566 -0.431 1.00 0.00 H new ATOM 0 HG3 GLN A 72 22.868 2.233 -1.535 1.00 0.00 H new ATOM 0 HE21 GLN A 72 24.591 2.270 -2.979 1.00 0.00 H new ATOM 0 HE22 GLN A 72 25.829 3.530 -2.951 1.00 0.00 H new ATOM 1060 N ASP A 73 20.754 6.431 -3.663 1.00 0.00 N ATOM 1061 CA ASP A 73 20.094 7.159 -4.741 1.00 0.00 C ATOM 1062 C ASP A 73 18.987 6.317 -5.367 1.00 0.00 C ATOM 1063 O ASP A 73 19.257 5.324 -6.044 1.00 0.00 O ATOM 1064 CB ASP A 73 21.110 7.565 -5.809 1.00 0.00 C ATOM 1065 CG ASP A 73 21.711 6.368 -6.520 1.00 0.00 C ATOM 1066 OD1 ASP A 73 22.326 5.521 -5.840 1.00 0.00 O ATOM 1067 OD2 ASP A 73 21.566 6.279 -7.758 1.00 0.00 O ATOM 0 H ASP A 73 21.766 6.554 -3.629 1.00 0.00 H new ATOM 0 HA ASP A 73 19.646 8.058 -4.318 1.00 0.00 H new ATOM 0 HB2 ASP A 73 20.626 8.213 -6.540 1.00 0.00 H new ATOM 0 HB3 ASP A 73 21.907 8.147 -5.346 1.00 0.00 H new ATOM 1072 N TRP A 74 17.742 6.719 -5.137 1.00 0.00 N ATOM 1073 CA TRP A 74 16.595 6.000 -5.678 1.00 0.00 C ATOM 1074 C TRP A 74 16.315 6.424 -7.116 1.00 0.00 C ATOM 1075 O TRP A 74 16.029 7.591 -7.384 1.00 0.00 O ATOM 1076 CB TRP A 74 15.358 6.244 -4.811 1.00 0.00 C ATOM 1077 CG TRP A 74 14.084 5.782 -5.450 1.00 0.00 C ATOM 1078 CD1 TRP A 74 13.109 6.567 -5.997 1.00 0.00 C ATOM 1079 CD2 TRP A 74 13.646 4.428 -5.607 1.00 0.00 C ATOM 1080 NE1 TRP A 74 12.092 5.783 -6.484 1.00 0.00 N ATOM 1081 CE2 TRP A 74 12.397 4.467 -6.258 1.00 0.00 C ATOM 1082 CE3 TRP A 74 14.187 3.187 -5.263 1.00 0.00 C ATOM 1083 CZ2 TRP A 74 11.684 3.312 -6.569 1.00 0.00 C ATOM 1084 CZ3 TRP A 74 13.478 2.042 -5.572 1.00 0.00 C ATOM 1085 CH2 TRP A 74 12.238 2.111 -6.220 1.00 0.00 C ATOM 0 H TRP A 74 17.502 7.539 -4.580 1.00 0.00 H new ATOM 0 HA TRP A 74 16.830 4.936 -5.672 1.00 0.00 H new ATOM 0 HB2 TRP A 74 15.485 5.731 -3.858 1.00 0.00 H new ATOM 0 HB3 TRP A 74 15.281 7.309 -4.592 1.00 0.00 H new ATOM 0 HD1 TRP A 74 13.134 7.646 -6.040 1.00 0.00 H new ATOM 0 HE1 TRP A 74 11.246 6.125 -6.940 1.00 0.00 H new ATOM 0 HE3 TRP A 74 15.143 3.124 -4.764 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 10.728 3.363 -7.068 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 13.887 1.077 -5.309 1.00 0.00 H new ATOM 0 HH2 TRP A 74 11.709 1.198 -6.449 1.00 0.00 H new ATOM 1096 N VAL A 75 16.399 5.470 -8.037 1.00 0.00 N ATOM 1097 CA VAL A 75 16.154 5.746 -9.448 1.00 0.00 C ATOM 1098 C VAL A 75 15.050 4.850 -9.999 1.00 0.00 C ATOM 1099 O VAL A 75 15.190 3.628 -10.040 1.00 0.00 O ATOM 1100 CB VAL A 75 17.429 5.547 -10.289 1.00 0.00 C ATOM 1101 CG1 VAL A 75 17.148 5.823 -11.758 1.00 0.00 C ATOM 1102 CG2 VAL A 75 18.550 6.438 -9.775 1.00 0.00 C ATOM 0 H VAL A 75 16.635 4.499 -7.832 1.00 0.00 H new ATOM 0 HA VAL A 75 15.841 6.788 -9.517 1.00 0.00 H new ATOM 0 HB VAL A 75 17.748 4.509 -10.194 1.00 0.00 H new ATOM 0 HG11 VAL A 75 18.060 5.677 -12.337 1.00 0.00 H new ATOM 0 HG12 VAL A 75 16.378 5.139 -12.116 1.00 0.00 H new ATOM 0 HG13 VAL A 75 16.804 6.850 -11.876 1.00 0.00 H new ATOM 0 HG21 VAL A 75 19.443 6.285 -10.380 1.00 0.00 H new ATOM 0 HG22 VAL A 75 18.243 7.482 -9.839 1.00 0.00 H new ATOM 0 HG23 VAL A 75 18.768 6.187 -8.737 1.00 0.00 H new ATOM 1112 N VAL A 76 13.951 5.467 -10.422 1.00 0.00 N ATOM 1113 CA VAL A 76 12.822 4.726 -10.973 1.00 0.00 C ATOM 1114 C VAL A 76 13.217 3.994 -12.250 1.00 0.00 C ATOM 1115 O VAL A 76 13.381 4.608 -13.304 1.00 0.00 O ATOM 1116 CB VAL A 76 11.633 5.657 -11.274 1.00 0.00 C ATOM 1117 CG1 VAL A 76 10.487 4.875 -11.897 1.00 0.00 C ATOM 1118 CG2 VAL A 76 11.179 6.366 -10.008 1.00 0.00 C ATOM 0 H VAL A 76 13.818 6.478 -10.394 1.00 0.00 H new ATOM 0 HA VAL A 76 12.522 3.999 -10.219 1.00 0.00 H new ATOM 0 HB VAL A 76 11.957 6.412 -11.990 1.00 0.00 H new ATOM 0 HG11 VAL A 76 9.656 5.549 -12.103 1.00 0.00 H new ATOM 0 HG12 VAL A 76 10.822 4.418 -12.828 1.00 0.00 H new ATOM 0 HG13 VAL A 76 10.160 4.097 -11.207 1.00 0.00 H new ATOM 0 HG21 VAL A 76 10.338 7.020 -10.239 1.00 0.00 H new ATOM 0 HG22 VAL A 76 10.872 5.627 -9.268 1.00 0.00 H new ATOM 0 HG23 VAL A 76 12.001 6.960 -9.609 1.00 0.00 H new ATOM 1128 N GLN A 77 13.366 2.677 -12.149 1.00 0.00 N ATOM 1129 CA GLN A 77 13.741 1.860 -13.298 1.00 0.00 C ATOM 1130 C GLN A 77 12.554 1.658 -14.233 1.00 0.00 C ATOM 1131 O GLN A 77 12.598 2.045 -15.401 1.00 0.00 O ATOM 1132 CB GLN A 77 14.277 0.505 -12.833 1.00 0.00 C ATOM 1133 CG GLN A 77 14.501 -0.482 -13.968 1.00 0.00 C ATOM 1134 CD GLN A 77 14.492 -1.923 -13.498 1.00 0.00 C ATOM 1135 OE1 GLN A 77 13.675 -2.729 -13.944 1.00 0.00 O ATOM 1136 NE2 GLN A 77 15.405 -2.257 -12.593 1.00 0.00 N ATOM 0 H GLN A 77 13.233 2.153 -11.284 1.00 0.00 H new ATOM 0 HA GLN A 77 14.525 2.384 -13.845 1.00 0.00 H new ATOM 0 HB2 GLN A 77 15.218 0.658 -12.304 1.00 0.00 H new ATOM 0 HB3 GLN A 77 13.577 0.072 -12.119 1.00 0.00 H new ATOM 0 HG2 GLN A 77 13.726 -0.345 -14.722 1.00 0.00 H new ATOM 0 HG3 GLN A 77 15.455 -0.267 -14.449 1.00 0.00 H new ATOM 0 HE21 GLN A 77 16.063 -1.557 -12.250 1.00 0.00 H new ATOM 0 HE22 GLN A 77 15.448 -3.213 -12.241 1.00 0.00 H new ATOM 1145 N ARG A 78 11.494 1.048 -13.712 1.00 0.00 N ATOM 1146 CA ARG A 78 10.295 0.793 -14.501 1.00 0.00 C ATOM 1147 C ARG A 78 9.055 0.761 -13.612 1.00 0.00 C ATOM 1148 O ARG A 78 9.149 0.522 -12.407 1.00 0.00 O ATOM 1149 CB ARG A 78 10.428 -0.530 -15.257 1.00 0.00 C ATOM 1150 CG ARG A 78 10.459 -1.749 -14.349 1.00 0.00 C ATOM 1151 CD ARG A 78 10.770 -3.017 -15.129 1.00 0.00 C ATOM 1152 NE ARG A 78 11.131 -4.126 -14.250 1.00 0.00 N ATOM 1153 CZ ARG A 78 10.956 -5.403 -14.569 1.00 0.00 C ATOM 1154 NH1 ARG A 78 10.426 -5.732 -15.739 1.00 0.00 N ATOM 1155 NH2 ARG A 78 11.310 -6.356 -13.716 1.00 0.00 N ATOM 0 H ARG A 78 11.441 0.721 -12.747 1.00 0.00 H new ATOM 0 HA ARG A 78 10.184 1.605 -15.220 1.00 0.00 H new ATOM 0 HB2 ARG A 78 9.595 -0.627 -15.953 1.00 0.00 H new ATOM 0 HB3 ARG A 78 11.340 -0.508 -15.853 1.00 0.00 H new ATOM 0 HG2 ARG A 78 11.209 -1.606 -13.571 1.00 0.00 H new ATOM 0 HG3 ARG A 78 9.497 -1.855 -13.848 1.00 0.00 H new ATOM 0 HD2 ARG A 78 9.903 -3.296 -15.727 1.00 0.00 H new ATOM 0 HD3 ARG A 78 11.588 -2.824 -15.823 1.00 0.00 H new ATOM 0 HE ARG A 78 11.540 -3.908 -13.341 1.00 0.00 H new ATOM 0 HH11 ARG A 78 10.151 -5.003 -16.397 1.00 0.00 H new ATOM 0 HH12 ARG A 78 10.293 -6.714 -15.981 1.00 0.00 H new ATOM 0 HH21 ARG A 78 11.717 -6.108 -12.814 1.00 0.00 H new ATOM 0 HH22 ARG A 78 11.175 -7.337 -13.962 1.00 0.00 H new ATOM 1169 N ILE A 79 7.895 1.003 -14.213 1.00 0.00 N ATOM 1170 CA ILE A 79 6.638 1.001 -13.476 1.00 0.00 C ATOM 1171 C ILE A 79 5.612 0.091 -14.142 1.00 0.00 C ATOM 1172 O ILE A 79 5.565 -0.018 -15.366 1.00 0.00 O ATOM 1173 CB ILE A 79 6.051 2.420 -13.361 1.00 0.00 C ATOM 1174 CG1 ILE A 79 7.036 3.347 -12.646 1.00 0.00 C ATOM 1175 CG2 ILE A 79 4.719 2.384 -12.626 1.00 0.00 C ATOM 1176 CD1 ILE A 79 6.893 4.800 -13.040 1.00 0.00 C ATOM 0 H ILE A 79 7.800 1.203 -15.209 1.00 0.00 H new ATOM 0 HA ILE A 79 6.858 0.626 -12.477 1.00 0.00 H new ATOM 0 HB ILE A 79 5.879 2.809 -14.365 1.00 0.00 H new ATOM 0 HG12 ILE A 79 6.893 3.255 -11.569 1.00 0.00 H new ATOM 0 HG13 ILE A 79 8.053 3.019 -12.861 1.00 0.00 H new ATOM 0 HG21 ILE A 79 4.317 3.394 -12.553 1.00 0.00 H new ATOM 0 HG22 ILE A 79 4.018 1.753 -13.173 1.00 0.00 H new ATOM 0 HG23 ILE A 79 4.867 1.979 -11.625 1.00 0.00 H new ATOM 0 HD11 ILE A 79 7.623 5.398 -12.494 1.00 0.00 H new ATOM 0 HD12 ILE A 79 7.066 4.905 -14.111 1.00 0.00 H new ATOM 0 HD13 ILE A 79 5.888 5.145 -12.799 1.00 0.00 H new ATOM 1188 N GLY A 80 4.789 -0.561 -13.326 1.00 0.00 N ATOM 1189 CA GLY A 80 3.773 -1.453 -13.854 1.00 0.00 C ATOM 1190 C GLY A 80 3.339 -2.499 -12.846 1.00 0.00 C ATOM 1191 O GLY A 80 3.774 -2.481 -11.694 1.00 0.00 O ATOM 0 H GLY A 80 4.808 -0.487 -12.309 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.906 -0.869 -14.163 1.00 0.00 H new ATOM 0 HA3 GLY A 80 4.157 -1.949 -14.745 1.00 0.00 H new ATOM 1195 N LYS A 81 2.476 -3.412 -13.278 1.00 0.00 N ATOM 1196 CA LYS A 81 1.982 -4.471 -12.406 1.00 0.00 C ATOM 1197 C LYS A 81 2.457 -5.838 -12.887 1.00 0.00 C ATOM 1198 O LYS A 81 2.586 -6.040 -14.093 1.00 0.00 O ATOM 1199 CB LYS A 81 0.453 -4.441 -12.351 1.00 0.00 C ATOM 1200 CG LYS A 81 -0.099 -3.546 -11.255 1.00 0.00 C ATOM 1201 CD LYS A 81 -1.615 -3.619 -11.186 1.00 0.00 C ATOM 1202 CE LYS A 81 -2.122 -3.355 -9.776 1.00 0.00 C ATOM 1203 NZ LYS A 81 -2.214 -4.608 -8.976 1.00 0.00 N ATOM 0 H LYS A 81 2.104 -3.440 -14.227 1.00 0.00 H new ATOM 0 HA LYS A 81 2.380 -4.299 -11.406 1.00 0.00 H new ATOM 0 HB2 LYS A 81 0.070 -4.101 -13.313 1.00 0.00 H new ATOM 0 HB3 LYS A 81 0.083 -5.455 -12.201 1.00 0.00 H new ATOM 0 HG2 LYS A 81 0.324 -3.841 -10.295 1.00 0.00 H new ATOM 0 HG3 LYS A 81 0.209 -2.516 -11.436 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -2.047 -2.890 -11.872 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -1.948 -4.603 -11.515 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -1.455 -2.653 -9.276 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -3.103 -2.883 -9.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -2.563 -4.386 -8.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -2.870 -5.269 -9.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -1.273 -5.046 -8.907 1.00 0.00 H new TER 1217 LYS A 81 HETATM 1218 ZN ZN A 201 3.284 0.966 -0.064 1.00 0.00 ZN HETATM 1219 ZN ZN A 401 -1.241 2.701 -3.046 1.00 0.00 ZN HETATM 1220 ZN ZN A 601 16.641 -0.036 -2.675 1.00 0.00 ZN