USER MOD reduce.3.24.130724 H: found=0, std=0, add=445, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 441 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 40 HIS HD1 : A 40 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 10 MET CE :methyl -137:sc= -3.46! (180deg=-4.55!) USER MOD Set 1.2: A 18 LYS NZ :NH3+ -161:sc= 0.753 (180deg=0.571) USER MOD Single : A 1 GLY N :NH3+ 142:sc= 0.0245 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= -0.443 K(o=-0.44,f=-2!) USER MOD Single : A 12 LYS NZ :NH3+ -152:sc= -0.177 (180deg=-0.763) USER MOD Single : A 14 HIS :FLIP no HD1:sc= -0.967 F(o=-2.3,f=-0.97) USER MOD Single : A 20 ASN : amide:sc= -0.0718 X(o=-0.072,f=-0.56) USER MOD Single : A 22 TYR OH : rot 180:sc= -0.625 USER MOD Single : A 25 THR OG1 : rot -128:sc= -1.01 USER MOD Single : A 30 THR OG1 : rot 47:sc= 1.33 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl 135:sc= -0.159 (180deg=-2.57) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -149:sc= -0.523 (180deg=-1.74!) USER MOD Single : A 49 GLN : amide:sc= -0.0208 K(o=-0.021,f=-1.1) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.066 X(o=-0.066,f=0) USER MOD Single : A 55 GLN : amide:sc= -1.08 K(o=-1.1,f=-1.8) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot -53:sc= 0.711 USER MOD Single : A 59 SER OG : rot 180:sc= 0 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 15.455 -2.232 -26.459 1.00 0.00 N ATOM 2 CA GLY A 1 14.778 -2.734 -25.277 1.00 0.00 C ATOM 3 C GLY A 1 15.651 -3.668 -24.462 1.00 0.00 C ATOM 4 O GLY A 1 16.509 -4.361 -25.008 1.00 0.00 O ATOM 0 H1 GLY A 1 14.780 -2.177 -27.249 1.00 0.00 H new ATOM 0 H2 GLY A 1 15.837 -1.285 -26.264 1.00 0.00 H new ATOM 0 H3 GLY A 1 16.233 -2.874 -26.712 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.470 -1.894 -24.654 1.00 0.00 H new ATOM 0 HA3 GLY A 1 13.871 -3.259 -25.577 1.00 0.00 H new ATOM 8 N SER A 2 15.432 -3.687 -23.151 1.00 0.00 N ATOM 9 CA SER A 2 16.209 -4.538 -22.259 1.00 0.00 C ATOM 10 C SER A 2 15.498 -4.714 -20.920 1.00 0.00 C ATOM 11 O SER A 2 15.264 -3.745 -20.198 1.00 0.00 O ATOM 12 CB SER A 2 17.601 -3.944 -22.036 1.00 0.00 C ATOM 13 OG SER A 2 18.509 -4.931 -21.577 1.00 0.00 O ATOM 0 H SER A 2 14.723 -3.122 -22.684 1.00 0.00 H new ATOM 0 HA SER A 2 16.311 -5.517 -22.728 1.00 0.00 H new ATOM 0 HB2 SER A 2 17.969 -3.512 -22.967 1.00 0.00 H new ATOM 0 HB3 SER A 2 17.542 -3.134 -21.309 1.00 0.00 H new ATOM 0 HG SER A 2 19.392 -4.527 -21.444 1.00 0.00 H new ATOM 19 N SER A 3 15.157 -5.957 -20.597 1.00 0.00 N ATOM 20 CA SER A 3 14.469 -6.260 -19.347 1.00 0.00 C ATOM 21 C SER A 3 15.318 -5.851 -18.147 1.00 0.00 C ATOM 22 O SER A 3 16.541 -5.977 -18.165 1.00 0.00 O ATOM 23 CB SER A 3 14.142 -7.753 -19.270 1.00 0.00 C ATOM 24 OG SER A 3 13.141 -8.105 -20.209 1.00 0.00 O ATOM 0 H SER A 3 15.346 -6.770 -21.183 1.00 0.00 H new ATOM 0 HA SER A 3 13.540 -5.690 -19.324 1.00 0.00 H new ATOM 0 HB2 SER A 3 15.043 -8.336 -19.459 1.00 0.00 H new ATOM 0 HB3 SER A 3 13.805 -8.003 -18.264 1.00 0.00 H new ATOM 0 HG SER A 3 12.951 -9.064 -20.141 1.00 0.00 H new ATOM 30 N GLY A 4 14.657 -5.360 -17.103 1.00 0.00 N ATOM 31 CA GLY A 4 15.365 -4.939 -15.908 1.00 0.00 C ATOM 32 C GLY A 4 14.494 -4.993 -14.668 1.00 0.00 C ATOM 33 O GLY A 4 14.172 -3.960 -14.082 1.00 0.00 O ATOM 0 H GLY A 4 13.644 -5.246 -17.063 1.00 0.00 H new ATOM 0 HA2 GLY A 4 16.238 -5.576 -15.763 1.00 0.00 H new ATOM 0 HA3 GLY A 4 15.732 -3.922 -16.046 1.00 0.00 H new ATOM 37 N SER A 5 14.110 -6.201 -14.269 1.00 0.00 N ATOM 38 CA SER A 5 13.265 -6.386 -13.095 1.00 0.00 C ATOM 39 C SER A 5 13.992 -5.941 -11.829 1.00 0.00 C ATOM 40 O SER A 5 15.219 -5.990 -11.754 1.00 0.00 O ATOM 41 CB SER A 5 12.845 -7.851 -12.967 1.00 0.00 C ATOM 42 OG SER A 5 11.843 -8.010 -11.978 1.00 0.00 O ATOM 0 H SER A 5 14.371 -7.067 -14.741 1.00 0.00 H new ATOM 0 HA SER A 5 12.374 -5.771 -13.218 1.00 0.00 H new ATOM 0 HB2 SER A 5 12.474 -8.211 -13.926 1.00 0.00 H new ATOM 0 HB3 SER A 5 13.712 -8.460 -12.712 1.00 0.00 H new ATOM 0 HG SER A 5 11.591 -8.955 -11.917 1.00 0.00 H new ATOM 48 N SER A 6 13.223 -5.507 -10.835 1.00 0.00 N ATOM 49 CA SER A 6 13.792 -5.050 -9.572 1.00 0.00 C ATOM 50 C SER A 6 12.839 -5.328 -8.414 1.00 0.00 C ATOM 51 O SER A 6 11.642 -5.529 -8.615 1.00 0.00 O ATOM 52 CB SER A 6 14.106 -3.554 -9.642 1.00 0.00 C ATOM 53 OG SER A 6 15.070 -3.281 -10.643 1.00 0.00 O ATOM 0 H SER A 6 12.205 -5.462 -10.880 1.00 0.00 H new ATOM 0 HA SER A 6 14.717 -5.600 -9.398 1.00 0.00 H new ATOM 0 HB2 SER A 6 13.193 -2.997 -9.851 1.00 0.00 H new ATOM 0 HB3 SER A 6 14.474 -3.211 -8.675 1.00 0.00 H new ATOM 0 HG SER A 6 15.252 -2.318 -10.668 1.00 0.00 H new ATOM 59 N GLY A 7 13.380 -5.338 -7.199 1.00 0.00 N ATOM 60 CA GLY A 7 12.564 -5.592 -6.026 1.00 0.00 C ATOM 61 C GLY A 7 12.277 -4.331 -5.236 1.00 0.00 C ATOM 62 O GLY A 7 12.788 -3.258 -5.557 1.00 0.00 O ATOM 0 H GLY A 7 14.368 -5.175 -7.006 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.622 -6.047 -6.334 1.00 0.00 H new ATOM 0 HA3 GLY A 7 13.071 -6.312 -5.384 1.00 0.00 H new ATOM 66 N HIS A 8 11.455 -4.459 -4.199 1.00 0.00 N ATOM 67 CA HIS A 8 11.099 -3.320 -3.360 1.00 0.00 C ATOM 68 C HIS A 8 11.827 -3.382 -2.021 1.00 0.00 C ATOM 69 O HIS A 8 11.477 -4.159 -1.132 1.00 0.00 O ATOM 70 CB HIS A 8 9.588 -3.281 -3.131 1.00 0.00 C ATOM 71 CG HIS A 8 9.056 -4.497 -2.435 1.00 0.00 C ATOM 72 ND1 HIS A 8 8.950 -5.728 -3.048 1.00 0.00 N ATOM 73 CD2 HIS A 8 8.601 -4.666 -1.172 1.00 0.00 C ATOM 74 CE1 HIS A 8 8.451 -6.601 -2.192 1.00 0.00 C ATOM 75 NE2 HIS A 8 8.231 -5.983 -1.046 1.00 0.00 N ATOM 0 H HIS A 8 11.023 -5.340 -3.920 1.00 0.00 H new ATOM 0 HA HIS A 8 11.404 -2.410 -3.877 1.00 0.00 H new ATOM 0 HB2 HIS A 8 9.341 -2.398 -2.542 1.00 0.00 H new ATOM 0 HB3 HIS A 8 9.086 -3.174 -4.092 1.00 0.00 H new ATOM 0 HD2 HIS A 8 8.540 -3.907 -0.406 1.00 0.00 H new ATOM 0 HE1 HIS A 8 8.256 -7.644 -2.395 1.00 0.00 H new ATOM 0 HE2 HIS A 8 7.849 -6.413 -0.204 1.00 0.00 H new ATOM 83 N PRO A 9 12.866 -2.547 -1.873 1.00 0.00 N ATOM 84 CA PRO A 9 13.666 -2.489 -0.645 1.00 0.00 C ATOM 85 C PRO A 9 12.891 -1.890 0.523 1.00 0.00 C ATOM 86 O PRO A 9 11.695 -1.619 0.414 1.00 0.00 O ATOM 87 CB PRO A 9 14.839 -1.583 -1.029 1.00 0.00 C ATOM 88 CG PRO A 9 14.316 -0.735 -2.137 1.00 0.00 C ATOM 89 CD PRO A 9 13.340 -1.595 -2.891 1.00 0.00 C ATOM 0 HA PRO A 9 13.968 -3.480 -0.307 1.00 0.00 H new ATOM 0 HB2 PRO A 9 15.163 -0.975 -0.184 1.00 0.00 H new ATOM 0 HB3 PRO A 9 15.701 -2.167 -1.351 1.00 0.00 H new ATOM 0 HG2 PRO A 9 13.829 0.159 -1.748 1.00 0.00 H new ATOM 0 HG3 PRO A 9 15.124 -0.400 -2.787 1.00 0.00 H new ATOM 0 HD2 PRO A 9 12.520 -1.006 -3.303 1.00 0.00 H new ATOM 0 HD3 PRO A 9 13.817 -2.106 -3.727 1.00 0.00 H new ATOM 97 N MET A 10 13.580 -1.685 1.641 1.00 0.00 N ATOM 98 CA MET A 10 12.955 -1.116 2.830 1.00 0.00 C ATOM 99 C MET A 10 12.236 0.187 2.496 1.00 0.00 C ATOM 100 O MET A 10 12.555 0.848 1.507 1.00 0.00 O ATOM 101 CB MET A 10 14.005 -0.869 3.915 1.00 0.00 C ATOM 102 CG MET A 10 14.688 -2.137 4.400 1.00 0.00 C ATOM 103 SD MET A 10 15.731 -1.856 5.844 1.00 0.00 S ATOM 104 CE MET A 10 14.560 -2.148 7.168 1.00 0.00 C ATOM 0 H MET A 10 14.570 -1.904 1.749 1.00 0.00 H new ATOM 0 HA MET A 10 12.220 -1.831 3.201 1.00 0.00 H new ATOM 0 HB2 MET A 10 14.760 -0.184 3.529 1.00 0.00 H new ATOM 0 HB3 MET A 10 13.530 -0.375 4.763 1.00 0.00 H new ATOM 0 HG2 MET A 10 13.931 -2.883 4.643 1.00 0.00 H new ATOM 0 HG3 MET A 10 15.294 -2.550 3.594 1.00 0.00 H new ATOM 0 HE1 MET A 10 14.684 -1.386 7.938 1.00 0.00 H new ATOM 0 HE2 MET A 10 13.545 -2.103 6.773 1.00 0.00 H new ATOM 0 HE3 MET A 10 14.738 -3.133 7.600 1.00 0.00 H new ATOM 114 N CYS A 11 11.264 0.551 3.325 1.00 0.00 N ATOM 115 CA CYS A 11 10.499 1.774 3.118 1.00 0.00 C ATOM 116 C CYS A 11 11.422 2.945 2.793 1.00 0.00 C ATOM 117 O CYS A 11 12.108 3.471 3.669 1.00 0.00 O ATOM 118 CB CYS A 11 9.666 2.096 4.360 1.00 0.00 C ATOM 119 SG CYS A 11 8.358 3.333 4.078 1.00 0.00 S ATOM 0 H CYS A 11 10.987 0.015 4.148 1.00 0.00 H new ATOM 0 HA CYS A 11 9.831 1.616 2.272 1.00 0.00 H new ATOM 0 HB2 CYS A 11 9.209 1.177 4.726 1.00 0.00 H new ATOM 0 HB3 CYS A 11 10.329 2.457 5.146 1.00 0.00 H new ATOM 124 N LYS A 12 11.434 3.348 1.527 1.00 0.00 N ATOM 125 CA LYS A 12 12.271 4.457 1.084 1.00 0.00 C ATOM 126 C LYS A 12 12.138 5.649 2.027 1.00 0.00 C ATOM 127 O LYS A 12 13.135 6.243 2.435 1.00 0.00 O ATOM 128 CB LYS A 12 11.891 4.873 -0.338 1.00 0.00 C ATOM 129 CG LYS A 12 12.522 4.006 -1.415 1.00 0.00 C ATOM 130 CD LYS A 12 12.086 4.438 -2.805 1.00 0.00 C ATOM 131 CE LYS A 12 10.788 3.760 -3.218 1.00 0.00 C ATOM 132 NZ LYS A 12 10.934 2.279 -3.287 1.00 0.00 N ATOM 0 H LYS A 12 10.873 2.923 0.789 1.00 0.00 H new ATOM 0 HA LYS A 12 13.309 4.123 1.093 1.00 0.00 H new ATOM 0 HB2 LYS A 12 10.807 4.834 -0.441 1.00 0.00 H new ATOM 0 HB3 LYS A 12 12.190 5.909 -0.496 1.00 0.00 H new ATOM 0 HG2 LYS A 12 13.608 4.063 -1.339 1.00 0.00 H new ATOM 0 HG3 LYS A 12 12.245 2.964 -1.253 1.00 0.00 H new ATOM 0 HD2 LYS A 12 11.955 5.520 -2.827 1.00 0.00 H new ATOM 0 HD3 LYS A 12 12.869 4.197 -3.524 1.00 0.00 H new ATOM 0 HE2 LYS A 12 10.003 4.015 -2.506 1.00 0.00 H new ATOM 0 HE3 LYS A 12 10.473 4.140 -4.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 10.262 1.896 -3.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 11.904 2.039 -3.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 10.738 1.867 -2.353 1.00 0.00 H new ATOM 146 N GLU A 13 10.899 5.991 2.369 1.00 0.00 N ATOM 147 CA GLU A 13 10.637 7.112 3.264 1.00 0.00 C ATOM 148 C GLU A 13 11.557 7.063 4.481 1.00 0.00 C ATOM 149 O GLU A 13 12.234 8.040 4.802 1.00 0.00 O ATOM 150 CB GLU A 13 9.175 7.103 3.715 1.00 0.00 C ATOM 151 CG GLU A 13 8.190 7.376 2.592 1.00 0.00 C ATOM 152 CD GLU A 13 6.769 6.991 2.955 1.00 0.00 C ATOM 153 OE1 GLU A 13 6.406 5.812 2.760 1.00 0.00 O ATOM 154 OE2 GLU A 13 6.020 7.868 3.434 1.00 0.00 O ATOM 0 H GLU A 13 10.063 5.509 2.040 1.00 0.00 H new ATOM 0 HA GLU A 13 10.835 8.034 2.717 1.00 0.00 H new ATOM 0 HB2 GLU A 13 8.947 6.134 4.160 1.00 0.00 H new ATOM 0 HB3 GLU A 13 9.040 7.852 4.496 1.00 0.00 H new ATOM 0 HG2 GLU A 13 8.221 8.435 2.336 1.00 0.00 H new ATOM 0 HG3 GLU A 13 8.496 6.824 1.703 1.00 0.00 H new ATOM 161 N HIS A 14 11.575 5.918 5.156 1.00 0.00 N ATOM 162 CA HIS A 14 12.411 5.740 6.338 1.00 0.00 C ATOM 163 C HIS A 14 13.767 5.149 5.961 1.00 0.00 C ATOM 164 O HIS A 14 13.930 4.591 4.876 1.00 0.00 O ATOM 165 CB HIS A 14 11.712 4.835 7.352 1.00 0.00 C ATOM 166 CG HIS A 14 10.483 5.446 7.952 1.00 0.00 C ATOM 167 ND1 HIS A 14 10.342 6.393 8.909 1.00 0.00 N flip ATOM 168 CD2 HIS A 14 9.205 5.090 7.576 1.00 0.00 C flip ATOM 169 CE1 HIS A 14 8.996 6.591 9.090 1.00 0.00 C flip ATOM 170 NE2 HIS A 14 8.331 5.793 8.274 1.00 0.00 N flip ATOM 0 H HIS A 14 11.020 5.100 4.905 1.00 0.00 H new ATOM 0 HA HIS A 14 12.573 6.719 6.788 1.00 0.00 H new ATOM 0 HB2 HIS A 14 11.441 3.898 6.865 1.00 0.00 H new ATOM 0 HB3 HIS A 14 12.412 4.589 8.150 1.00 0.00 H new ATOM 0 HD2 HIS A 14 8.957 4.352 6.828 1.00 0.00 H new ATOM 0 HE1 HIS A 14 8.552 7.287 9.787 1.00 0.00 H new ATOM 0 HE2 HIS A 14 7.316 5.730 8.196 1.00 0.00 H new ATOM 178 N GLU A 15 14.734 5.276 6.863 1.00 0.00 N ATOM 179 CA GLU A 15 16.075 4.755 6.623 1.00 0.00 C ATOM 180 C GLU A 15 16.111 3.241 6.805 1.00 0.00 C ATOM 181 O GLU A 15 16.505 2.506 5.899 1.00 0.00 O ATOM 182 CB GLU A 15 17.080 5.417 7.569 1.00 0.00 C ATOM 183 CG GLU A 15 17.131 6.930 7.440 1.00 0.00 C ATOM 184 CD GLU A 15 17.683 7.603 8.682 1.00 0.00 C ATOM 185 OE1 GLU A 15 17.417 7.105 9.796 1.00 0.00 O ATOM 186 OE2 GLU A 15 18.383 8.628 8.539 1.00 0.00 O ATOM 0 H GLU A 15 14.615 5.735 7.766 1.00 0.00 H new ATOM 0 HA GLU A 15 16.348 4.987 5.594 1.00 0.00 H new ATOM 0 HB2 GLU A 15 16.825 5.157 8.596 1.00 0.00 H new ATOM 0 HB3 GLU A 15 18.072 5.010 7.374 1.00 0.00 H new ATOM 0 HG2 GLU A 15 17.748 7.197 6.582 1.00 0.00 H new ATOM 0 HG3 GLU A 15 16.128 7.308 7.242 1.00 0.00 H new ATOM 193 N ASP A 16 15.698 2.782 7.981 1.00 0.00 N ATOM 194 CA ASP A 16 15.681 1.355 8.282 1.00 0.00 C ATOM 195 C ASP A 16 14.335 0.938 8.865 1.00 0.00 C ATOM 196 O ASP A 16 14.190 0.805 10.080 1.00 0.00 O ATOM 197 CB ASP A 16 16.805 1.005 9.259 1.00 0.00 C ATOM 198 CG ASP A 16 17.056 -0.487 9.342 1.00 0.00 C ATOM 199 OD1 ASP A 16 17.423 -1.087 8.310 1.00 0.00 O ATOM 200 OD2 ASP A 16 16.887 -1.056 10.441 1.00 0.00 O ATOM 0 H ASP A 16 15.370 3.377 8.742 1.00 0.00 H new ATOM 0 HA ASP A 16 15.837 0.811 7.351 1.00 0.00 H new ATOM 0 HB2 ASP A 16 17.721 1.508 8.949 1.00 0.00 H new ATOM 0 HB3 ASP A 16 16.553 1.384 10.249 1.00 0.00 H new ATOM 205 N GLU A 17 13.355 0.734 7.992 1.00 0.00 N ATOM 206 CA GLU A 17 12.020 0.334 8.422 1.00 0.00 C ATOM 207 C GLU A 17 11.598 -0.969 7.747 1.00 0.00 C ATOM 208 O GLU A 17 11.491 -1.041 6.523 1.00 0.00 O ATOM 209 CB GLU A 17 11.006 1.436 8.106 1.00 0.00 C ATOM 210 CG GLU A 17 9.812 1.451 9.044 1.00 0.00 C ATOM 211 CD GLU A 17 10.051 2.299 10.279 1.00 0.00 C ATOM 212 OE1 GLU A 17 10.212 3.528 10.131 1.00 0.00 O ATOM 213 OE2 GLU A 17 10.077 1.733 11.392 1.00 0.00 O ATOM 0 H GLU A 17 13.460 0.839 6.983 1.00 0.00 H new ATOM 0 HA GLU A 17 12.047 0.173 9.500 1.00 0.00 H new ATOM 0 HB2 GLU A 17 11.507 2.403 8.153 1.00 0.00 H new ATOM 0 HB3 GLU A 17 10.652 1.310 7.083 1.00 0.00 H new ATOM 0 HG2 GLU A 17 8.940 1.830 8.511 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.581 0.430 9.348 1.00 0.00 H new ATOM 220 N LYS A 18 11.362 -1.997 8.555 1.00 0.00 N ATOM 221 CA LYS A 18 10.951 -3.297 8.039 1.00 0.00 C ATOM 222 C LYS A 18 9.488 -3.275 7.608 1.00 0.00 C ATOM 223 O LYS A 18 8.586 -3.386 8.439 1.00 0.00 O ATOM 224 CB LYS A 18 11.165 -4.380 9.099 1.00 0.00 C ATOM 225 CG LYS A 18 12.616 -4.541 9.519 1.00 0.00 C ATOM 226 CD LYS A 18 13.043 -3.446 10.481 1.00 0.00 C ATOM 227 CE LYS A 18 14.236 -3.875 11.321 1.00 0.00 C ATOM 228 NZ LYS A 18 15.527 -3.599 10.633 1.00 0.00 N ATOM 0 H LYS A 18 11.448 -1.955 9.570 1.00 0.00 H new ATOM 0 HA LYS A 18 11.564 -3.524 7.167 1.00 0.00 H new ATOM 0 HB2 LYS A 18 10.566 -4.141 9.977 1.00 0.00 H new ATOM 0 HB3 LYS A 18 10.799 -5.332 8.713 1.00 0.00 H new ATOM 0 HG2 LYS A 18 12.753 -5.514 9.990 1.00 0.00 H new ATOM 0 HG3 LYS A 18 13.255 -4.521 8.637 1.00 0.00 H new ATOM 0 HD2 LYS A 18 13.296 -2.546 9.920 1.00 0.00 H new ATOM 0 HD3 LYS A 18 12.210 -3.190 11.135 1.00 0.00 H new ATOM 0 HE2 LYS A 18 14.215 -3.351 12.277 1.00 0.00 H new ATOM 0 HE3 LYS A 18 14.162 -4.940 11.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 16.279 -4.175 11.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 15.441 -3.838 9.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 15.764 -2.591 10.731 1.00 0.00 H new ATOM 242 N ILE A 19 9.261 -3.132 6.307 1.00 0.00 N ATOM 243 CA ILE A 19 7.908 -3.098 5.767 1.00 0.00 C ATOM 244 C ILE A 19 6.974 -4.000 6.567 1.00 0.00 C ATOM 245 O ILE A 19 7.091 -5.224 6.524 1.00 0.00 O ATOM 246 CB ILE A 19 7.880 -3.530 4.289 1.00 0.00 C ATOM 247 CG1 ILE A 19 8.810 -2.643 3.458 1.00 0.00 C ATOM 248 CG2 ILE A 19 6.460 -3.472 3.747 1.00 0.00 C ATOM 249 CD1 ILE A 19 8.410 -1.184 3.455 1.00 0.00 C ATOM 0 H ILE A 19 9.997 -3.038 5.607 1.00 0.00 H new ATOM 0 HA ILE A 19 7.565 -2.066 5.841 1.00 0.00 H new ATOM 0 HB ILE A 19 8.233 -4.559 4.220 1.00 0.00 H new ATOM 0 HG12 ILE A 19 9.825 -2.732 3.845 1.00 0.00 H new ATOM 0 HG13 ILE A 19 8.826 -3.009 2.431 1.00 0.00 H new ATOM 0 HG21 ILE A 19 6.457 -3.780 2.701 1.00 0.00 H new ATOM 0 HG22 ILE A 19 5.822 -4.141 4.325 1.00 0.00 H new ATOM 0 HG23 ILE A 19 6.082 -2.453 3.826 1.00 0.00 H new ATOM 0 HD11 ILE A 19 9.113 -0.615 2.847 1.00 0.00 H new ATOM 0 HD12 ILE A 19 7.407 -1.083 3.041 1.00 0.00 H new ATOM 0 HD13 ILE A 19 8.421 -0.802 4.476 1.00 0.00 H new ATOM 261 N ASN A 20 6.047 -3.387 7.295 1.00 0.00 N ATOM 262 CA ASN A 20 5.092 -4.135 8.104 1.00 0.00 C ATOM 263 C ASN A 20 3.801 -4.386 7.329 1.00 0.00 C ATOM 264 O ASN A 20 3.279 -5.501 7.317 1.00 0.00 O ATOM 265 CB ASN A 20 4.784 -3.378 9.397 1.00 0.00 C ATOM 266 CG ASN A 20 5.771 -3.698 10.503 1.00 0.00 C ATOM 267 OD1 ASN A 20 6.109 -4.859 10.732 1.00 0.00 O ATOM 268 ND2 ASN A 20 6.239 -2.665 11.195 1.00 0.00 N ATOM 0 H ASN A 20 5.937 -2.374 7.341 1.00 0.00 H new ATOM 0 HA ASN A 20 5.539 -5.098 8.352 1.00 0.00 H new ATOM 0 HB2 ASN A 20 4.799 -2.306 9.200 1.00 0.00 H new ATOM 0 HB3 ASN A 20 3.776 -3.627 9.730 1.00 0.00 H new ATOM 0 HD21 ASN A 20 6.906 -2.818 11.951 1.00 0.00 H new ATOM 0 HD22 ASN A 20 5.931 -1.719 10.970 1.00 0.00 H new ATOM 275 N ILE A 21 3.293 -3.342 6.683 1.00 0.00 N ATOM 276 CA ILE A 21 2.066 -3.449 5.904 1.00 0.00 C ATOM 277 C ILE A 21 2.286 -2.993 4.466 1.00 0.00 C ATOM 278 O ILE A 21 3.358 -2.500 4.117 1.00 0.00 O ATOM 279 CB ILE A 21 0.929 -2.617 6.527 1.00 0.00 C ATOM 280 CG1 ILE A 21 1.383 -1.171 6.736 1.00 0.00 C ATOM 281 CG2 ILE A 21 0.482 -3.233 7.844 1.00 0.00 C ATOM 282 CD1 ILE A 21 0.278 -0.254 7.211 1.00 0.00 C ATOM 0 H ILE A 21 3.712 -2.412 6.684 1.00 0.00 H new ATOM 0 HA ILE A 21 1.780 -4.501 5.909 1.00 0.00 H new ATOM 0 HB ILE A 21 0.081 -2.617 5.842 1.00 0.00 H new ATOM 0 HG12 ILE A 21 2.195 -1.155 7.463 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.786 -0.786 5.799 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.322 -2.634 8.272 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.124 -4.247 7.668 1.00 0.00 H new ATOM 0 HG23 ILE A 21 1.323 -3.260 8.537 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.671 0.755 7.338 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.525 -0.240 6.474 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.110 -0.615 8.164 1.00 0.00 H new ATOM 294 N TYR A 22 1.262 -3.160 3.636 1.00 0.00 N ATOM 295 CA TYR A 22 1.343 -2.766 2.234 1.00 0.00 C ATOM 296 C TYR A 22 0.188 -1.842 1.860 1.00 0.00 C ATOM 297 O TYR A 22 -0.961 -2.084 2.232 1.00 0.00 O ATOM 298 CB TYR A 22 1.334 -4.002 1.334 1.00 0.00 C ATOM 299 CG TYR A 22 0.883 -3.718 -0.081 1.00 0.00 C ATOM 300 CD1 TYR A 22 -0.461 -3.786 -0.429 1.00 0.00 C ATOM 301 CD2 TYR A 22 1.799 -3.383 -1.070 1.00 0.00 C ATOM 302 CE1 TYR A 22 -0.878 -3.527 -1.721 1.00 0.00 C ATOM 303 CE2 TYR A 22 1.391 -3.122 -2.363 1.00 0.00 C ATOM 304 CZ TYR A 22 0.052 -3.195 -2.684 1.00 0.00 C ATOM 305 OH TYR A 22 -0.359 -2.937 -3.972 1.00 0.00 O ATOM 0 H TYR A 22 0.367 -3.565 3.909 1.00 0.00 H new ATOM 0 HA TYR A 22 2.278 -2.226 2.088 1.00 0.00 H new ATOM 0 HB2 TYR A 22 2.336 -4.429 1.308 1.00 0.00 H new ATOM 0 HB3 TYR A 22 0.678 -4.755 1.771 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -1.192 -4.046 0.323 1.00 0.00 H new ATOM 0 HD2 TYR A 22 2.849 -3.326 -0.823 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -1.926 -3.584 -1.975 1.00 0.00 H new ATOM 0 HE2 TYR A 22 2.117 -2.862 -3.119 1.00 0.00 H new ATOM 0 HH TYR A 22 0.419 -2.718 -4.526 1.00 0.00 H new ATOM 315 N CYS A 23 0.501 -0.783 1.122 1.00 0.00 N ATOM 316 CA CYS A 23 -0.509 0.178 0.696 1.00 0.00 C ATOM 317 C CYS A 23 -1.218 -0.301 -0.568 1.00 0.00 C ATOM 318 O CYS A 23 -0.613 -0.944 -1.427 1.00 0.00 O ATOM 319 CB CYS A 23 0.131 1.545 0.446 1.00 0.00 C ATOM 320 SG CYS A 23 -1.060 2.921 0.365 1.00 0.00 S ATOM 0 H CYS A 23 1.447 -0.568 0.806 1.00 0.00 H new ATOM 0 HA CYS A 23 -1.246 0.269 1.493 1.00 0.00 H new ATOM 0 HB2 CYS A 23 0.850 1.748 1.239 1.00 0.00 H new ATOM 0 HB3 CYS A 23 0.690 1.507 -0.489 1.00 0.00 H new ATOM 325 N LEU A 24 -2.504 0.015 -0.674 1.00 0.00 N ATOM 326 CA LEU A 24 -3.297 -0.382 -1.832 1.00 0.00 C ATOM 327 C LEU A 24 -3.516 0.798 -2.773 1.00 0.00 C ATOM 328 O LEU A 24 -3.089 0.774 -3.928 1.00 0.00 O ATOM 329 CB LEU A 24 -4.645 -0.948 -1.382 1.00 0.00 C ATOM 330 CG LEU A 24 -4.619 -2.364 -0.805 1.00 0.00 C ATOM 331 CD1 LEU A 24 -3.331 -2.603 -0.034 1.00 0.00 C ATOM 332 CD2 LEU A 24 -5.829 -2.598 0.089 1.00 0.00 C ATOM 0 H LEU A 24 -3.020 0.545 0.028 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.747 -1.154 -2.370 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.065 -0.279 -0.631 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.324 -0.937 -2.235 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.660 -3.073 -1.632 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.331 -3.616 0.369 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.479 -2.478 -0.702 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.259 -1.887 0.784 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.794 -3.611 0.491 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.819 -1.881 0.910 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.742 -2.470 -0.493 1.00 0.00 H new ATOM 344 N THR A 25 -4.184 1.832 -2.271 1.00 0.00 N ATOM 345 CA THR A 25 -4.460 3.022 -3.066 1.00 0.00 C ATOM 346 C THR A 25 -3.374 3.249 -4.111 1.00 0.00 C ATOM 347 O THR A 25 -3.625 3.156 -5.313 1.00 0.00 O ATOM 348 CB THR A 25 -4.572 4.276 -2.179 1.00 0.00 C ATOM 349 OG1 THR A 25 -5.678 4.142 -1.279 1.00 0.00 O ATOM 350 CG2 THR A 25 -4.752 5.526 -3.028 1.00 0.00 C ATOM 0 H THR A 25 -4.544 1.869 -1.317 1.00 0.00 H new ATOM 0 HA THR A 25 -5.413 2.853 -3.567 1.00 0.00 H new ATOM 0 HB THR A 25 -3.649 4.374 -1.608 1.00 0.00 H new ATOM 0 HG1 THR A 25 -6.252 4.933 -1.346 1.00 0.00 H new ATOM 0 HG21 THR A 25 -4.829 6.399 -2.379 1.00 0.00 H new ATOM 0 HG22 THR A 25 -3.895 5.642 -3.692 1.00 0.00 H new ATOM 0 HG23 THR A 25 -5.661 5.435 -3.622 1.00 0.00 H new ATOM 358 N CYS A 26 -2.165 3.546 -3.647 1.00 0.00 N ATOM 359 CA CYS A 26 -1.039 3.786 -4.541 1.00 0.00 C ATOM 360 C CYS A 26 -0.420 2.469 -5.002 1.00 0.00 C ATOM 361 O CYS A 26 0.329 2.432 -5.977 1.00 0.00 O ATOM 362 CB CYS A 26 0.019 4.644 -3.845 1.00 0.00 C ATOM 363 SG CYS A 26 0.473 4.058 -2.180 1.00 0.00 S ATOM 0 H CYS A 26 -1.940 3.626 -2.655 1.00 0.00 H new ATOM 0 HA CYS A 26 -1.410 4.319 -5.416 1.00 0.00 H new ATOM 0 HB2 CYS A 26 0.915 4.672 -4.466 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -0.349 5.667 -3.771 1.00 0.00 H new ATOM 368 N GLU A 27 -0.739 1.392 -4.292 1.00 0.00 N ATOM 369 CA GLU A 27 -0.213 0.074 -4.627 1.00 0.00 C ATOM 370 C GLU A 27 1.293 0.011 -4.387 1.00 0.00 C ATOM 371 O GLU A 27 2.062 -0.338 -5.283 1.00 0.00 O ATOM 372 CB GLU A 27 -0.522 -0.266 -6.087 1.00 0.00 C ATOM 373 CG GLU A 27 -1.990 -0.116 -6.449 1.00 0.00 C ATOM 374 CD GLU A 27 -2.347 -0.824 -7.742 1.00 0.00 C ATOM 375 OE1 GLU A 27 -1.862 -0.393 -8.809 1.00 0.00 O ATOM 376 OE2 GLU A 27 -3.113 -1.809 -7.686 1.00 0.00 O ATOM 0 H GLU A 27 -1.359 1.406 -3.482 1.00 0.00 H new ATOM 0 HA GLU A 27 -0.697 -0.657 -3.980 1.00 0.00 H new ATOM 0 HB2 GLU A 27 0.071 0.379 -6.735 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.210 -1.291 -6.286 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -2.602 -0.514 -5.640 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.232 0.943 -6.540 1.00 0.00 H new ATOM 383 N VAL A 28 1.706 0.352 -3.171 1.00 0.00 N ATOM 384 CA VAL A 28 3.119 0.334 -2.811 1.00 0.00 C ATOM 385 C VAL A 28 3.318 -0.176 -1.388 1.00 0.00 C ATOM 386 O VAL A 28 2.708 0.312 -0.436 1.00 0.00 O ATOM 387 CB VAL A 28 3.748 1.735 -2.934 1.00 0.00 C ATOM 388 CG1 VAL A 28 3.449 2.335 -4.300 1.00 0.00 C ATOM 389 CG2 VAL A 28 3.246 2.643 -1.822 1.00 0.00 C ATOM 0 H VAL A 28 1.083 0.644 -2.418 1.00 0.00 H new ATOM 0 HA VAL A 28 3.614 -0.341 -3.509 1.00 0.00 H new ATOM 0 HB VAL A 28 4.829 1.640 -2.834 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.901 3.325 -4.370 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.861 1.692 -5.078 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.370 2.419 -4.433 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.700 3.629 -1.924 1.00 0.00 H new ATOM 0 HG22 VAL A 28 2.162 2.735 -1.889 1.00 0.00 H new ATOM 0 HG23 VAL A 28 3.516 2.218 -0.855 1.00 0.00 H new ATOM 399 N PRO A 29 4.192 -1.182 -1.236 1.00 0.00 N ATOM 400 CA PRO A 29 4.492 -1.780 0.068 1.00 0.00 C ATOM 401 C PRO A 29 5.274 -0.835 0.973 1.00 0.00 C ATOM 402 O PRO A 29 6.497 -0.730 0.871 1.00 0.00 O ATOM 403 CB PRO A 29 5.341 -3.003 -0.289 1.00 0.00 C ATOM 404 CG PRO A 29 5.960 -2.663 -1.601 1.00 0.00 C ATOM 405 CD PRO A 29 4.954 -1.813 -2.326 1.00 0.00 C ATOM 0 HA PRO A 29 3.586 -2.021 0.624 1.00 0.00 H new ATOM 0 HB2 PRO A 29 6.100 -3.193 0.470 1.00 0.00 H new ATOM 0 HB3 PRO A 29 4.729 -3.902 -0.361 1.00 0.00 H new ATOM 0 HG2 PRO A 29 6.898 -2.125 -1.462 1.00 0.00 H new ATOM 0 HG3 PRO A 29 6.191 -3.564 -2.169 1.00 0.00 H new ATOM 0 HD2 PRO A 29 5.438 -1.070 -2.960 1.00 0.00 H new ATOM 0 HD3 PRO A 29 4.311 -2.413 -2.971 1.00 0.00 H new ATOM 413 N THR A 30 4.561 -0.147 1.860 1.00 0.00 N ATOM 414 CA THR A 30 5.188 0.790 2.783 1.00 0.00 C ATOM 415 C THR A 30 4.807 0.480 4.226 1.00 0.00 C ATOM 416 O THR A 30 3.802 -0.183 4.484 1.00 0.00 O ATOM 417 CB THR A 30 4.794 2.244 2.461 1.00 0.00 C ATOM 418 OG1 THR A 30 5.529 3.147 3.295 1.00 0.00 O ATOM 419 CG2 THR A 30 3.302 2.458 2.665 1.00 0.00 C ATOM 0 H THR A 30 3.548 -0.222 1.958 1.00 0.00 H new ATOM 0 HA THR A 30 6.266 0.678 2.663 1.00 0.00 H new ATOM 0 HB THR A 30 5.033 2.439 1.416 1.00 0.00 H new ATOM 0 HG1 THR A 30 6.474 2.889 3.303 1.00 0.00 H new ATOM 0 HG21 THR A 30 3.047 3.492 2.432 1.00 0.00 H new ATOM 0 HG22 THR A 30 2.745 1.790 2.008 1.00 0.00 H new ATOM 0 HG23 THR A 30 3.042 2.246 3.702 1.00 0.00 H new ATOM 427 N CYS A 31 5.614 0.964 5.164 1.00 0.00 N ATOM 428 CA CYS A 31 5.362 0.739 6.582 1.00 0.00 C ATOM 429 C CYS A 31 4.042 1.375 7.007 1.00 0.00 C ATOM 430 O CYS A 31 3.320 1.941 6.185 1.00 0.00 O ATOM 431 CB CYS A 31 6.508 1.306 7.422 1.00 0.00 C ATOM 432 SG CYS A 31 6.473 3.118 7.600 1.00 0.00 S ATOM 0 H CYS A 31 6.449 1.515 4.967 1.00 0.00 H new ATOM 0 HA CYS A 31 5.297 -0.336 6.748 1.00 0.00 H new ATOM 0 HB2 CYS A 31 6.476 0.854 8.413 1.00 0.00 H new ATOM 0 HB3 CYS A 31 7.455 1.014 6.969 1.00 0.00 H new ATOM 437 N SER A 32 3.732 1.279 8.296 1.00 0.00 N ATOM 438 CA SER A 32 2.498 1.842 8.830 1.00 0.00 C ATOM 439 C SER A 32 2.727 3.257 9.351 1.00 0.00 C ATOM 440 O SER A 32 1.839 4.106 9.285 1.00 0.00 O ATOM 441 CB SER A 32 1.952 0.956 9.952 1.00 0.00 C ATOM 442 OG SER A 32 0.661 1.379 10.353 1.00 0.00 O ATOM 0 H SER A 32 4.319 0.816 8.990 1.00 0.00 H new ATOM 0 HA SER A 32 1.768 1.885 8.022 1.00 0.00 H new ATOM 0 HB2 SER A 32 1.910 -0.080 9.614 1.00 0.00 H new ATOM 0 HB3 SER A 32 2.629 0.986 10.805 1.00 0.00 H new ATOM 0 HG SER A 32 0.334 0.796 11.070 1.00 0.00 H new ATOM 448 N MET A 33 3.926 3.503 9.870 1.00 0.00 N ATOM 449 CA MET A 33 4.274 4.816 10.401 1.00 0.00 C ATOM 450 C MET A 33 3.964 5.913 9.387 1.00 0.00 C ATOM 451 O MET A 33 3.598 7.029 9.756 1.00 0.00 O ATOM 452 CB MET A 33 5.755 4.860 10.782 1.00 0.00 C ATOM 453 CG MET A 33 6.069 4.142 12.084 1.00 0.00 C ATOM 454 SD MET A 33 6.554 2.424 11.830 1.00 0.00 S ATOM 455 CE MET A 33 5.025 1.578 12.222 1.00 0.00 C ATOM 0 H MET A 33 4.672 2.811 9.934 1.00 0.00 H new ATOM 0 HA MET A 33 3.672 4.990 11.293 1.00 0.00 H new ATOM 0 HB2 MET A 33 6.342 4.413 9.979 1.00 0.00 H new ATOM 0 HB3 MET A 33 6.070 5.900 10.865 1.00 0.00 H new ATOM 0 HG2 MET A 33 6.871 4.669 12.601 1.00 0.00 H new ATOM 0 HG3 MET A 33 5.194 4.176 12.734 1.00 0.00 H new ATOM 0 HE1 MET A 33 4.830 0.813 11.471 1.00 0.00 H new ATOM 0 HE2 MET A 33 5.109 1.110 13.203 1.00 0.00 H new ATOM 0 HE3 MET A 33 4.204 2.295 12.231 1.00 0.00 H new ATOM 465 N CYS A 34 4.115 5.588 8.107 1.00 0.00 N ATOM 466 CA CYS A 34 3.853 6.545 7.039 1.00 0.00 C ATOM 467 C CYS A 34 2.355 6.662 6.769 1.00 0.00 C ATOM 468 O CYS A 34 1.866 7.717 6.367 1.00 0.00 O ATOM 469 CB CYS A 34 4.582 6.127 5.761 1.00 0.00 C ATOM 470 SG CYS A 34 6.389 6.348 5.830 1.00 0.00 S ATOM 0 H CYS A 34 4.418 4.669 7.785 1.00 0.00 H new ATOM 0 HA CYS A 34 4.224 7.519 7.358 1.00 0.00 H new ATOM 0 HB2 CYS A 34 4.362 5.079 5.556 1.00 0.00 H new ATOM 0 HB3 CYS A 34 4.188 6.705 4.925 1.00 0.00 H new ATOM 475 N LYS A 35 1.633 5.569 6.991 1.00 0.00 N ATOM 476 CA LYS A 35 0.191 5.546 6.773 1.00 0.00 C ATOM 477 C LYS A 35 -0.539 6.281 7.893 1.00 0.00 C ATOM 478 O LYS A 35 -1.373 7.150 7.638 1.00 0.00 O ATOM 479 CB LYS A 35 -0.309 4.103 6.684 1.00 0.00 C ATOM 480 CG LYS A 35 -1.822 3.988 6.602 1.00 0.00 C ATOM 481 CD LYS A 35 -2.456 3.984 7.982 1.00 0.00 C ATOM 482 CE LYS A 35 -3.845 3.363 7.956 1.00 0.00 C ATOM 483 NZ LYS A 35 -4.495 3.401 9.295 1.00 0.00 N ATOM 0 H LYS A 35 2.023 4.687 7.322 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.018 6.054 5.832 1.00 0.00 H new ATOM 0 HB2 LYS A 35 0.131 3.628 5.807 1.00 0.00 H new ATOM 0 HB3 LYS A 35 0.042 3.551 7.556 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.220 4.819 6.020 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.090 3.073 6.075 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -1.821 3.430 8.673 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.520 5.005 8.357 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -4.467 3.894 7.235 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -3.775 2.330 7.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -5.439 2.969 9.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -3.915 2.873 9.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -4.586 4.388 9.609 1.00 0.00 H new ATOM 497 N VAL A 36 -0.220 5.926 9.134 1.00 0.00 N ATOM 498 CA VAL A 36 -0.845 6.554 10.292 1.00 0.00 C ATOM 499 C VAL A 36 -0.183 7.888 10.618 1.00 0.00 C ATOM 500 O VAL A 36 -0.833 8.811 11.110 1.00 0.00 O ATOM 501 CB VAL A 36 -0.772 5.642 11.532 1.00 0.00 C ATOM 502 CG1 VAL A 36 -1.529 4.346 11.286 1.00 0.00 C ATOM 503 CG2 VAL A 36 0.677 5.360 11.901 1.00 0.00 C ATOM 0 H VAL A 36 0.467 5.208 9.363 1.00 0.00 H new ATOM 0 HA VAL A 36 -1.890 6.723 10.034 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.243 6.157 12.369 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.467 3.714 12.172 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.574 4.570 11.073 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.089 3.823 10.436 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.710 4.715 12.779 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.175 4.865 11.067 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.186 6.299 12.121 1.00 0.00 H new ATOM 513 N PHE A 37 1.112 7.984 10.339 1.00 0.00 N ATOM 514 CA PHE A 37 1.863 9.206 10.602 1.00 0.00 C ATOM 515 C PHE A 37 2.726 9.584 9.401 1.00 0.00 C ATOM 516 O PHE A 37 3.945 9.701 9.512 1.00 0.00 O ATOM 517 CB PHE A 37 2.743 9.033 11.842 1.00 0.00 C ATOM 518 CG PHE A 37 2.097 8.217 12.925 1.00 0.00 C ATOM 519 CD1 PHE A 37 0.882 8.600 13.469 1.00 0.00 C ATOM 520 CD2 PHE A 37 2.706 7.065 13.399 1.00 0.00 C ATOM 521 CE1 PHE A 37 0.287 7.852 14.467 1.00 0.00 C ATOM 522 CE2 PHE A 37 2.115 6.313 14.397 1.00 0.00 C ATOM 523 CZ PHE A 37 0.903 6.706 14.930 1.00 0.00 C ATOM 0 H PHE A 37 1.664 7.230 9.930 1.00 0.00 H new ATOM 0 HA PHE A 37 1.149 10.010 10.781 1.00 0.00 H new ATOM 0 HB2 PHE A 37 3.680 8.558 11.550 1.00 0.00 H new ATOM 0 HB3 PHE A 37 2.994 10.016 12.240 1.00 0.00 H new ATOM 0 HD1 PHE A 37 0.394 9.494 13.109 1.00 0.00 H new ATOM 0 HD2 PHE A 37 3.653 6.752 12.984 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -0.659 8.163 14.885 1.00 0.00 H new ATOM 0 HE2 PHE A 37 2.601 5.419 14.760 1.00 0.00 H new ATOM 0 HZ PHE A 37 0.438 6.118 15.707 1.00 0.00 H new ATOM 533 N GLY A 38 2.082 9.773 8.253 1.00 0.00 N ATOM 534 CA GLY A 38 2.805 10.134 7.048 1.00 0.00 C ATOM 535 C GLY A 38 1.886 10.619 5.944 1.00 0.00 C ATOM 536 O GLY A 38 0.666 10.652 6.113 1.00 0.00 O ATOM 0 H GLY A 38 1.073 9.682 8.136 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.529 10.914 7.282 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.369 9.271 6.694 1.00 0.00 H new ATOM 540 N ILE A 39 2.471 10.997 4.813 1.00 0.00 N ATOM 541 CA ILE A 39 1.696 11.483 3.678 1.00 0.00 C ATOM 542 C ILE A 39 0.607 10.488 3.290 1.00 0.00 C ATOM 543 O ILE A 39 -0.457 10.874 2.805 1.00 0.00 O ATOM 544 CB ILE A 39 2.594 11.747 2.455 1.00 0.00 C ATOM 545 CG1 ILE A 39 3.279 10.453 2.009 1.00 0.00 C ATOM 546 CG2 ILE A 39 3.627 12.816 2.778 1.00 0.00 C ATOM 547 CD1 ILE A 39 2.492 9.678 0.975 1.00 0.00 C ATOM 0 H ILE A 39 3.479 10.976 4.658 1.00 0.00 H new ATOM 0 HA ILE A 39 1.235 12.420 3.989 1.00 0.00 H new ATOM 0 HB ILE A 39 1.971 12.107 1.636 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.261 10.693 1.601 1.00 0.00 H new ATOM 0 HG13 ILE A 39 3.442 9.819 2.880 1.00 0.00 H new ATOM 0 HG21 ILE A 39 4.254 12.992 1.904 1.00 0.00 H new ATOM 0 HG22 ILE A 39 3.120 13.741 3.052 1.00 0.00 H new ATOM 0 HG23 ILE A 39 4.248 12.482 3.609 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.037 8.773 0.706 1.00 0.00 H new ATOM 0 HD12 ILE A 39 1.520 9.407 1.386 1.00 0.00 H new ATOM 0 HD13 ILE A 39 2.351 10.295 0.087 1.00 0.00 H new ATOM 559 N HIS A 40 0.880 9.205 3.508 1.00 0.00 N ATOM 560 CA HIS A 40 -0.078 8.154 3.183 1.00 0.00 C ATOM 561 C HIS A 40 -1.287 8.215 4.112 1.00 0.00 C ATOM 562 O HIS A 40 -1.480 7.341 4.957 1.00 0.00 O ATOM 563 CB HIS A 40 0.587 6.781 3.283 1.00 0.00 C ATOM 564 CG HIS A 40 1.589 6.521 2.200 1.00 0.00 C ATOM 565 ND1 HIS A 40 1.235 6.161 0.917 1.00 0.00 N ATOM 566 CD2 HIS A 40 2.941 6.573 2.215 1.00 0.00 C ATOM 567 CE1 HIS A 40 2.326 6.000 0.190 1.00 0.00 C ATOM 568 NE2 HIS A 40 3.375 6.245 0.954 1.00 0.00 N ATOM 0 H HIS A 40 1.756 8.869 3.908 1.00 0.00 H new ATOM 0 HA HIS A 40 -0.419 8.311 2.160 1.00 0.00 H new ATOM 0 HB2 HIS A 40 1.080 6.695 4.251 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -0.183 6.010 3.247 1.00 0.00 H new ATOM 0 HD2 HIS A 40 3.563 6.825 3.061 1.00 0.00 H new ATOM 0 HE1 HIS A 40 2.355 5.716 -0.852 1.00 0.00 H new ATOM 0 HE2 HIS A 40 4.349 6.198 0.656 1.00 0.00 H new ATOM 576 N LYS A 41 -2.099 9.254 3.950 1.00 0.00 N ATOM 577 CA LYS A 41 -3.291 9.431 4.772 1.00 0.00 C ATOM 578 C LYS A 41 -4.542 8.995 4.017 1.00 0.00 C ATOM 579 O LYS A 41 -5.350 8.222 4.531 1.00 0.00 O ATOM 580 CB LYS A 41 -3.426 10.893 5.204 1.00 0.00 C ATOM 581 CG LYS A 41 -2.375 11.329 6.210 1.00 0.00 C ATOM 582 CD LYS A 41 -2.735 12.659 6.850 1.00 0.00 C ATOM 583 CE LYS A 41 -3.599 12.467 8.087 1.00 0.00 C ATOM 584 NZ LYS A 41 -5.025 12.222 7.735 1.00 0.00 N ATOM 0 H LYS A 41 -1.953 9.987 3.256 1.00 0.00 H new ATOM 0 HA LYS A 41 -3.187 8.805 5.658 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -3.360 11.531 4.323 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.415 11.046 5.635 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.272 10.568 6.983 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -1.408 11.412 5.714 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -1.824 13.192 7.121 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -3.265 13.280 6.128 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -3.219 11.627 8.669 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -3.528 13.351 8.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -5.638 12.603 8.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -5.246 12.692 6.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -5.189 11.199 7.641 1.00 0.00 H new ATOM 598 N ALA A 42 -4.695 9.494 2.795 1.00 0.00 N ATOM 599 CA ALA A 42 -5.846 9.153 1.969 1.00 0.00 C ATOM 600 C ALA A 42 -5.633 7.825 1.251 1.00 0.00 C ATOM 601 O ALA A 42 -6.091 7.636 0.124 1.00 0.00 O ATOM 602 CB ALA A 42 -6.120 10.261 0.962 1.00 0.00 C ATOM 0 H ALA A 42 -4.036 10.136 2.355 1.00 0.00 H new ATOM 0 HA ALA A 42 -6.712 9.048 2.623 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.982 9.993 0.352 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.325 11.191 1.492 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.249 10.393 0.321 1.00 0.00 H new ATOM 608 N CYS A 43 -4.933 6.908 1.910 1.00 0.00 N ATOM 609 CA CYS A 43 -4.657 5.597 1.335 1.00 0.00 C ATOM 610 C CYS A 43 -5.269 4.489 2.187 1.00 0.00 C ATOM 611 O CYS A 43 -5.896 4.756 3.211 1.00 0.00 O ATOM 612 CB CYS A 43 -3.147 5.381 1.206 1.00 0.00 C ATOM 613 SG CYS A 43 -2.402 6.192 -0.245 1.00 0.00 S ATOM 0 H CYS A 43 -4.546 7.049 2.843 1.00 0.00 H new ATOM 0 HA CYS A 43 -5.109 5.561 0.344 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -2.659 5.753 2.107 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -2.947 4.311 1.154 1.00 0.00 H new ATOM 618 N GLU A 44 -5.082 3.246 1.755 1.00 0.00 N ATOM 619 CA GLU A 44 -5.616 2.098 2.478 1.00 0.00 C ATOM 620 C GLU A 44 -4.634 0.930 2.448 1.00 0.00 C ATOM 621 O GLU A 44 -4.425 0.308 1.407 1.00 0.00 O ATOM 622 CB GLU A 44 -6.956 1.668 1.878 1.00 0.00 C ATOM 623 CG GLU A 44 -6.856 1.205 0.434 1.00 0.00 C ATOM 624 CD GLU A 44 -8.119 1.483 -0.357 1.00 0.00 C ATOM 625 OE1 GLU A 44 -8.899 2.364 0.060 1.00 0.00 O ATOM 626 OE2 GLU A 44 -8.327 0.819 -1.394 1.00 0.00 O ATOM 0 H GLU A 44 -4.565 3.008 0.908 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.769 2.394 3.516 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -7.372 0.861 2.481 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.655 2.503 1.936 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -6.014 1.704 -0.046 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -6.647 0.135 0.413 1.00 0.00 H new ATOM 633 N VAL A 45 -4.034 0.639 3.598 1.00 0.00 N ATOM 634 CA VAL A 45 -3.075 -0.454 3.704 1.00 0.00 C ATOM 635 C VAL A 45 -3.776 -1.773 4.006 1.00 0.00 C ATOM 636 O VAL A 45 -4.910 -1.791 4.484 1.00 0.00 O ATOM 637 CB VAL A 45 -2.030 -0.178 4.802 1.00 0.00 C ATOM 638 CG1 VAL A 45 -1.084 0.933 4.371 1.00 0.00 C ATOM 639 CG2 VAL A 45 -2.715 0.173 6.114 1.00 0.00 C ATOM 0 H VAL A 45 -4.195 1.145 4.469 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.570 -0.527 2.741 1.00 0.00 H new ATOM 0 HB VAL A 45 -1.443 -1.083 4.956 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -0.353 1.114 5.159 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -0.568 0.637 3.458 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -1.653 1.844 4.187 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -1.962 0.365 6.878 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -3.328 1.064 5.977 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -3.347 -0.658 6.428 1.00 0.00 H new ATOM 649 N ALA A 46 -3.093 -2.878 3.723 1.00 0.00 N ATOM 650 CA ALA A 46 -3.650 -4.203 3.966 1.00 0.00 C ATOM 651 C ALA A 46 -2.576 -5.168 4.457 1.00 0.00 C ATOM 652 O ALA A 46 -1.379 -4.959 4.254 1.00 0.00 O ATOM 653 CB ALA A 46 -4.306 -4.740 2.702 1.00 0.00 C ATOM 0 H ALA A 46 -2.154 -2.882 3.325 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.407 -4.115 4.746 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.718 -5.730 2.898 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.107 -4.068 2.394 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.563 -4.807 1.907 1.00 0.00 H new ATOM 659 N PRO A 47 -3.010 -6.250 5.121 1.00 0.00 N ATOM 660 CA PRO A 47 -2.100 -7.268 5.655 1.00 0.00 C ATOM 661 C PRO A 47 -1.437 -8.088 4.554 1.00 0.00 C ATOM 662 O PRO A 47 -2.060 -8.969 3.960 1.00 0.00 O ATOM 663 CB PRO A 47 -3.018 -8.153 6.502 1.00 0.00 C ATOM 664 CG PRO A 47 -4.371 -7.979 5.903 1.00 0.00 C ATOM 665 CD PRO A 47 -4.421 -6.563 5.399 1.00 0.00 C ATOM 0 HA PRO A 47 -1.276 -6.826 6.214 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -2.702 -9.196 6.470 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -3.006 -7.848 7.548 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -4.533 -8.688 5.091 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -5.151 -8.158 6.643 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -5.036 -6.477 4.503 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -4.844 -5.887 6.142 1.00 0.00 H new ATOM 673 N LEU A 48 -0.169 -7.794 4.286 1.00 0.00 N ATOM 674 CA LEU A 48 0.580 -8.505 3.255 1.00 0.00 C ATOM 675 C LEU A 48 0.045 -9.922 3.074 1.00 0.00 C ATOM 676 O LEU A 48 -0.133 -10.388 1.949 1.00 0.00 O ATOM 677 CB LEU A 48 2.065 -8.550 3.617 1.00 0.00 C ATOM 678 CG LEU A 48 2.894 -7.334 3.203 1.00 0.00 C ATOM 679 CD1 LEU A 48 3.002 -7.251 1.689 1.00 0.00 C ATOM 680 CD2 LEU A 48 2.287 -6.057 3.767 1.00 0.00 C ATOM 0 H LEU A 48 0.362 -7.069 4.768 1.00 0.00 H new ATOM 0 HA LEU A 48 0.458 -7.968 2.315 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.152 -8.673 4.697 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.503 -9.437 3.159 1.00 0.00 H new ATOM 0 HG LEU A 48 3.898 -7.447 3.612 1.00 0.00 H new ATOM 0 HD11 LEU A 48 3.596 -6.379 1.414 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.483 -8.152 1.309 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.005 -7.162 1.257 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.890 -5.202 3.462 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.272 -5.938 3.388 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.264 -6.115 4.855 1.00 0.00 H new ATOM 692 N GLN A 49 -0.210 -10.600 4.188 1.00 0.00 N ATOM 693 CA GLN A 49 -0.726 -11.963 4.151 1.00 0.00 C ATOM 694 C GLN A 49 -1.981 -12.047 3.288 1.00 0.00 C ATOM 695 O GLN A 49 -2.003 -12.742 2.273 1.00 0.00 O ATOM 696 CB GLN A 49 -1.032 -12.454 5.567 1.00 0.00 C ATOM 697 CG GLN A 49 -1.678 -13.829 5.607 1.00 0.00 C ATOM 698 CD GLN A 49 -1.414 -14.560 6.909 1.00 0.00 C ATOM 699 OE1 GLN A 49 -0.951 -13.967 7.884 1.00 0.00 O ATOM 700 NE2 GLN A 49 -1.708 -15.854 6.932 1.00 0.00 N ATOM 0 H GLN A 49 -0.068 -10.228 5.127 1.00 0.00 H new ATOM 0 HA GLN A 49 0.039 -12.602 3.710 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -0.106 -12.480 6.142 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.691 -11.737 6.057 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -2.754 -13.725 5.465 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -1.303 -14.427 4.776 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -2.090 -16.305 6.101 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -1.552 -16.397 7.781 1.00 0.00 H new ATOM 709 N SER A 50 -3.025 -11.334 3.700 1.00 0.00 N ATOM 710 CA SER A 50 -4.285 -11.331 2.968 1.00 0.00 C ATOM 711 C SER A 50 -4.491 -10.003 2.246 1.00 0.00 C ATOM 712 O SER A 50 -5.168 -9.107 2.750 1.00 0.00 O ATOM 713 CB SER A 50 -5.454 -11.593 3.920 1.00 0.00 C ATOM 714 OG SER A 50 -5.299 -12.833 4.589 1.00 0.00 O ATOM 0 H SER A 50 -3.022 -10.751 4.537 1.00 0.00 H new ATOM 0 HA SER A 50 -4.246 -12.127 2.224 1.00 0.00 H new ATOM 0 HB2 SER A 50 -5.519 -10.787 4.651 1.00 0.00 H new ATOM 0 HB3 SER A 50 -6.390 -11.592 3.361 1.00 0.00 H new ATOM 0 HG SER A 50 -6.058 -12.976 5.193 1.00 0.00 H new ATOM 720 N VAL A 51 -3.901 -9.883 1.060 1.00 0.00 N ATOM 721 CA VAL A 51 -4.020 -8.666 0.267 1.00 0.00 C ATOM 722 C VAL A 51 -4.964 -8.868 -0.913 1.00 0.00 C ATOM 723 O VAL A 51 -5.851 -8.051 -1.159 1.00 0.00 O ATOM 724 CB VAL A 51 -2.648 -8.204 -0.261 1.00 0.00 C ATOM 725 CG1 VAL A 51 -2.802 -6.978 -1.147 1.00 0.00 C ATOM 726 CG2 VAL A 51 -1.701 -7.921 0.895 1.00 0.00 C ATOM 0 H VAL A 51 -3.336 -10.614 0.628 1.00 0.00 H new ATOM 0 HA VAL A 51 -4.426 -7.898 0.925 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.221 -9.006 -0.863 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.823 -6.666 -1.510 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -3.443 -7.220 -1.994 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -3.250 -6.168 -0.572 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -0.737 -7.596 0.504 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.120 -7.137 1.525 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -1.566 -8.827 1.485 1.00 0.00 H new ATOM 736 N PHE A 52 -4.768 -9.964 -1.639 1.00 0.00 N ATOM 737 CA PHE A 52 -5.602 -10.275 -2.794 1.00 0.00 C ATOM 738 C PHE A 52 -7.044 -9.836 -2.558 1.00 0.00 C ATOM 739 O PHE A 52 -7.664 -9.215 -3.421 1.00 0.00 O ATOM 740 CB PHE A 52 -5.556 -11.774 -3.095 1.00 0.00 C ATOM 741 CG PHE A 52 -4.302 -12.206 -3.801 1.00 0.00 C ATOM 742 CD1 PHE A 52 -3.992 -11.707 -5.056 1.00 0.00 C ATOM 743 CD2 PHE A 52 -3.434 -13.109 -3.209 1.00 0.00 C ATOM 744 CE1 PHE A 52 -2.839 -12.103 -5.708 1.00 0.00 C ATOM 745 CE2 PHE A 52 -2.280 -13.509 -3.856 1.00 0.00 C ATOM 746 CZ PHE A 52 -1.982 -13.004 -5.107 1.00 0.00 C ATOM 0 H PHE A 52 -4.039 -10.651 -1.448 1.00 0.00 H new ATOM 0 HA PHE A 52 -5.210 -9.728 -3.651 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -5.646 -12.327 -2.160 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.418 -12.040 -3.707 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.658 -11.001 -5.530 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.662 -13.505 -2.230 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -2.609 -11.708 -6.686 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -1.612 -14.215 -3.385 1.00 0.00 H new ATOM 0 HZ PHE A 52 -1.080 -13.313 -5.614 1.00 0.00 H new ATOM 756 N GLN A 53 -7.571 -10.165 -1.382 1.00 0.00 N ATOM 757 CA GLN A 53 -8.940 -9.806 -1.032 1.00 0.00 C ATOM 758 C GLN A 53 -8.973 -8.948 0.228 1.00 0.00 C ATOM 759 O GLN A 53 -9.010 -9.467 1.343 1.00 0.00 O ATOM 760 CB GLN A 53 -9.784 -11.066 -0.829 1.00 0.00 C ATOM 761 CG GLN A 53 -10.111 -11.794 -2.122 1.00 0.00 C ATOM 762 CD GLN A 53 -10.652 -13.190 -1.885 1.00 0.00 C ATOM 763 OE1 GLN A 53 -11.763 -13.518 -2.303 1.00 0.00 O ATOM 764 NE2 GLN A 53 -9.868 -14.023 -1.210 1.00 0.00 N ATOM 0 H GLN A 53 -7.071 -10.679 -0.657 1.00 0.00 H new ATOM 0 HA GLN A 53 -9.358 -9.226 -1.855 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -9.252 -11.746 -0.163 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -10.714 -10.794 -0.330 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -10.843 -11.215 -2.685 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -9.213 -11.856 -2.737 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -8.954 -13.710 -0.882 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -10.180 -14.975 -1.020 1.00 0.00 H new ATOM 773 N GLY A 54 -8.959 -7.632 0.043 1.00 0.00 N ATOM 774 CA GLY A 54 -8.987 -6.723 1.175 1.00 0.00 C ATOM 775 C GLY A 54 -10.136 -5.737 1.098 1.00 0.00 C ATOM 776 O GLY A 54 -10.921 -5.763 0.151 1.00 0.00 O ATOM 0 H GLY A 54 -8.929 -7.178 -0.870 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -9.067 -7.298 2.097 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -8.045 -6.176 1.221 1.00 0.00 H new ATOM 780 N GLN A 55 -10.235 -4.867 2.098 1.00 0.00 N ATOM 781 CA GLN A 55 -11.297 -3.870 2.140 1.00 0.00 C ATOM 782 C GLN A 55 -10.752 -2.511 2.567 1.00 0.00 C ATOM 783 O GLN A 55 -9.780 -2.428 3.317 1.00 0.00 O ATOM 784 CB GLN A 55 -12.404 -4.313 3.098 1.00 0.00 C ATOM 785 CG GLN A 55 -11.977 -4.326 4.557 1.00 0.00 C ATOM 786 CD GLN A 55 -12.226 -3.001 5.250 1.00 0.00 C ATOM 787 OE1 GLN A 55 -11.297 -2.233 5.499 1.00 0.00 O ATOM 788 NE2 GLN A 55 -13.487 -2.725 5.564 1.00 0.00 N ATOM 0 H GLN A 55 -9.593 -4.833 2.890 1.00 0.00 H new ATOM 0 HA GLN A 55 -11.711 -3.775 1.136 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -13.259 -3.647 2.984 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -12.738 -5.312 2.817 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -12.517 -5.114 5.083 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -10.917 -4.570 4.619 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -14.226 -3.391 5.339 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -13.716 -1.847 6.030 1.00 0.00 H new ATOM 797 N LYS A 56 -11.385 -1.447 2.085 1.00 0.00 N ATOM 798 CA LYS A 56 -10.966 -0.091 2.418 1.00 0.00 C ATOM 799 C LYS A 56 -11.462 0.308 3.804 1.00 0.00 C ATOM 800 O LYS A 56 -12.573 -0.043 4.202 1.00 0.00 O ATOM 801 CB LYS A 56 -11.489 0.898 1.373 1.00 0.00 C ATOM 802 CG LYS A 56 -13.000 0.883 1.225 1.00 0.00 C ATOM 803 CD LYS A 56 -13.661 1.884 2.159 1.00 0.00 C ATOM 804 CE LYS A 56 -15.135 1.568 2.360 1.00 0.00 C ATOM 805 NZ LYS A 56 -15.751 2.437 3.401 1.00 0.00 N ATOM 0 H LYS A 56 -12.191 -1.498 1.462 1.00 0.00 H new ATOM 0 HA LYS A 56 -9.876 -0.065 2.421 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -11.169 1.904 1.645 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -11.035 0.669 0.409 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -13.268 1.114 0.194 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -13.377 -0.118 1.436 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -13.151 1.876 3.122 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -13.555 2.889 1.751 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -15.666 1.698 1.417 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -15.247 0.522 2.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -16.756 2.191 3.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -15.261 2.294 4.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -15.667 3.433 3.115 1.00 0.00 H new ATOM 819 N THR A 57 -10.632 1.045 4.535 1.00 0.00 N ATOM 820 CA THR A 57 -10.987 1.492 5.876 1.00 0.00 C ATOM 821 C THR A 57 -11.054 3.014 5.949 1.00 0.00 C ATOM 822 O THR A 57 -10.623 3.616 6.932 1.00 0.00 O ATOM 823 CB THR A 57 -9.978 0.983 6.923 1.00 0.00 C ATOM 824 OG1 THR A 57 -10.430 1.317 8.241 1.00 0.00 O ATOM 825 CG2 THR A 57 -8.602 1.585 6.686 1.00 0.00 C ATOM 0 H THR A 57 -9.709 1.345 4.221 1.00 0.00 H new ATOM 0 HA THR A 57 -11.970 1.077 6.098 1.00 0.00 H new ATOM 0 HB THR A 57 -9.904 -0.100 6.828 1.00 0.00 H new ATOM 0 HG1 THR A 57 -10.624 2.276 8.287 1.00 0.00 H new ATOM 0 HG21 THR A 57 -7.907 1.211 7.438 1.00 0.00 H new ATOM 0 HG22 THR A 57 -8.249 1.305 5.694 1.00 0.00 H new ATOM 0 HG23 THR A 57 -8.663 2.671 6.757 1.00 0.00 H new ATOM 833 N GLU A 58 -11.597 3.628 4.903 1.00 0.00 N ATOM 834 CA GLU A 58 -11.719 5.080 4.850 1.00 0.00 C ATOM 835 C GLU A 58 -13.162 5.514 5.091 1.00 0.00 C ATOM 836 O GLU A 58 -13.961 5.597 4.158 1.00 0.00 O ATOM 837 CB GLU A 58 -11.237 5.606 3.497 1.00 0.00 C ATOM 838 CG GLU A 58 -10.940 7.096 3.493 1.00 0.00 C ATOM 839 CD GLU A 58 -9.928 7.487 2.434 1.00 0.00 C ATOM 840 OE1 GLU A 58 -10.037 6.984 1.296 1.00 0.00 O ATOM 841 OE2 GLU A 58 -9.027 8.295 2.742 1.00 0.00 O ATOM 0 H GLU A 58 -11.959 3.143 4.082 1.00 0.00 H new ATOM 0 HA GLU A 58 -11.094 5.500 5.638 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -10.337 5.064 3.206 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -11.995 5.393 2.743 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -11.866 7.647 3.326 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -10.566 7.391 4.474 1.00 0.00 H new ATOM 848 N SER A 59 -13.489 5.788 6.350 1.00 0.00 N ATOM 849 CA SER A 59 -14.837 6.209 6.715 1.00 0.00 C ATOM 850 C SER A 59 -14.807 7.539 7.462 1.00 0.00 C ATOM 851 O SER A 59 -13.800 7.900 8.071 1.00 0.00 O ATOM 852 CB SER A 59 -15.510 5.141 7.579 1.00 0.00 C ATOM 853 OG SER A 59 -16.888 5.424 7.758 1.00 0.00 O ATOM 0 H SER A 59 -12.839 5.726 7.134 1.00 0.00 H new ATOM 0 HA SER A 59 -15.412 6.340 5.798 1.00 0.00 H new ATOM 0 HB2 SER A 59 -15.394 4.164 7.111 1.00 0.00 H new ATOM 0 HB3 SER A 59 -15.017 5.090 8.550 1.00 0.00 H new ATOM 0 HG SER A 59 -17.296 4.726 8.312 1.00 0.00 H new ATOM 859 N GLY A 60 -15.920 8.265 7.411 1.00 0.00 N ATOM 860 CA GLY A 60 -16.001 9.547 8.085 1.00 0.00 C ATOM 861 C GLY A 60 -16.446 10.662 7.160 1.00 0.00 C ATOM 862 O GLY A 60 -17.568 10.667 6.653 1.00 0.00 O ATOM 0 H GLY A 60 -16.767 7.988 6.915 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -16.698 9.472 8.920 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -15.026 9.795 8.505 1.00 0.00 H new ATOM 866 N PRO A 61 -15.553 11.636 6.928 1.00 0.00 N ATOM 867 CA PRO A 61 -15.838 12.781 6.058 1.00 0.00 C ATOM 868 C PRO A 61 -15.931 12.382 4.589 1.00 0.00 C ATOM 869 O PRO A 61 -16.113 13.231 3.716 1.00 0.00 O ATOM 870 CB PRO A 61 -14.641 13.707 6.286 1.00 0.00 C ATOM 871 CG PRO A 61 -13.540 12.802 6.722 1.00 0.00 C ATOM 872 CD PRO A 61 -14.197 11.695 7.499 1.00 0.00 C ATOM 0 HA PRO A 61 -16.799 13.240 6.290 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -14.376 14.243 5.375 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -14.860 14.458 7.045 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -12.997 12.407 5.864 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -12.817 13.336 7.339 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -13.668 10.750 7.377 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -14.220 11.912 8.567 1.00 0.00 H new ATOM 880 N SER A 62 -15.805 11.086 4.323 1.00 0.00 N ATOM 881 CA SER A 62 -15.871 10.575 2.958 1.00 0.00 C ATOM 882 C SER A 62 -17.092 11.129 2.230 1.00 0.00 C ATOM 883 O SER A 62 -17.004 11.547 1.075 1.00 0.00 O ATOM 884 CB SER A 62 -15.918 9.046 2.965 1.00 0.00 C ATOM 885 OG SER A 62 -15.427 8.516 1.746 1.00 0.00 O ATOM 0 H SER A 62 -15.657 10.370 5.034 1.00 0.00 H new ATOM 0 HA SER A 62 -14.975 10.901 2.430 1.00 0.00 H new ATOM 0 HB2 SER A 62 -15.325 8.664 3.796 1.00 0.00 H new ATOM 0 HB3 SER A 62 -16.943 8.711 3.124 1.00 0.00 H new ATOM 0 HG SER A 62 -15.466 7.537 1.776 1.00 0.00 H new ATOM 891 N SER A 63 -18.232 11.129 2.914 1.00 0.00 N ATOM 892 CA SER A 63 -19.473 11.627 2.332 1.00 0.00 C ATOM 893 C SER A 63 -19.254 12.981 1.664 1.00 0.00 C ATOM 894 O SER A 63 -19.582 13.168 0.493 1.00 0.00 O ATOM 895 CB SER A 63 -20.554 11.746 3.408 1.00 0.00 C ATOM 896 OG SER A 63 -20.990 10.468 3.837 1.00 0.00 O ATOM 0 H SER A 63 -18.322 10.790 3.872 1.00 0.00 H new ATOM 0 HA SER A 63 -19.801 10.916 1.574 1.00 0.00 H new ATOM 0 HB2 SER A 63 -20.165 12.305 4.259 1.00 0.00 H new ATOM 0 HB3 SER A 63 -21.401 12.310 3.016 1.00 0.00 H new ATOM 0 HG SER A 63 -21.679 10.572 4.526 1.00 0.00 H new ATOM 902 N GLY A 64 -18.697 13.924 2.418 1.00 0.00 N ATOM 903 CA GLY A 64 -18.443 15.249 1.883 1.00 0.00 C ATOM 904 C GLY A 64 -18.037 16.240 2.956 1.00 0.00 C ATOM 905 O GLY A 64 -18.887 16.993 3.427 1.00 0.00 O ATOM 0 H GLY A 64 -18.417 13.794 3.390 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -17.656 15.189 1.132 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -19.339 15.611 1.378 1.00 0.00 H new TER 909 GLY A 64 HETATM 910 ZN ZN A 201 7.605 4.357 6.017 1.00 0.00 ZN HETATM 911 ZN ZN A 401 -0.340 4.998 -0.314 1.00 0.00 ZN