USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 582 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 Set 1.1: A 26 CYS SG : rot -139:sc= 0.198 USER MOD Set 1.2: A 28 HIS : no HE2:sc= -0.864 K(o=1.3,f=-0.12) USER MOD Set 1.3: A 30 TYR OH : rot 180:sc= 0.0423 USER MOD Set 1.4: A 51 CYS SG : rot -39:sc= 1.48 USER MOD Set 1.5: A 56 CYS SG : rot -159:sc= 0.46 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 CYS SG : rot 52:sc= -0.995 USER MOD Single : A 13 THR OG1 : rot -160:sc= -0.806 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.104) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 177:sc= -0.279 (180deg=-0.281) USER MOD Single : A 23 ASN : amide:sc= -1.15 K(o=-1.1,f=-5.2!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl 149:sc= -0.209 (180deg=-1.18) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= -0.247 USER MOD Single : A 53 GLN : amide:sc= -0.298 X(o=-0.3,f=-0.3) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 HIS : no HE2:sc= -1.45 K(o=-1.5,f=-4.1!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 66 N PHE A 8 0.874 9.529 8.377 1.00 0.00 N ATOM 67 CA PHE A 8 0.221 8.225 8.389 1.00 0.00 C ATOM 68 C PHE A 8 1.206 7.127 8.778 1.00 0.00 C ATOM 69 O PHE A 8 2.176 6.864 8.066 1.00 0.00 O ATOM 70 CB PHE A 8 -0.383 7.921 7.017 1.00 0.00 C ATOM 71 CG PHE A 8 -1.654 8.672 6.742 1.00 0.00 C ATOM 72 CD1 PHE A 8 -2.797 8.422 7.483 1.00 0.00 C ATOM 73 CD2 PHE A 8 -1.706 9.630 5.741 1.00 0.00 C ATOM 74 CE1 PHE A 8 -3.968 9.112 7.232 1.00 0.00 C ATOM 75 CE2 PHE A 8 -2.874 10.323 5.485 1.00 0.00 C ATOM 76 CZ PHE A 8 -4.006 10.064 6.232 1.00 0.00 C ATOM 0 HA PHE A 8 -0.577 8.253 9.131 1.00 0.00 H new ATOM 0 HB2 PHE A 8 0.347 8.164 6.245 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -0.579 6.851 6.944 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -2.773 7.679 8.266 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -0.823 9.837 5.154 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -4.852 8.907 7.817 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -2.901 11.066 4.702 1.00 0.00 H new ATOM 0 HZ PHE A 8 -4.920 10.605 6.035 1.00 0.00 H new ATOM 86 N THR A 9 0.951 6.487 9.915 1.00 0.00 N ATOM 87 CA THR A 9 1.815 5.418 10.401 1.00 0.00 C ATOM 88 C THR A 9 1.034 4.123 10.591 1.00 0.00 C ATOM 89 O THR A 9 -0.084 4.131 11.109 1.00 0.00 O ATOM 90 CB THR A 9 2.485 5.800 11.735 1.00 0.00 C ATOM 91 OG1 THR A 9 1.812 6.921 12.318 1.00 0.00 O ATOM 92 CG2 THR A 9 3.953 6.136 11.526 1.00 0.00 C ATOM 0 H THR A 9 0.153 6.690 10.517 1.00 0.00 H new ATOM 0 HA THR A 9 2.586 5.267 9.645 1.00 0.00 H new ATOM 0 HB THR A 9 2.417 4.946 12.408 1.00 0.00 H new ATOM 0 HG1 THR A 9 2.243 7.156 13.166 1.00 0.00 H new ATOM 0 HG21 THR A 9 4.405 6.403 12.481 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.469 5.271 11.110 1.00 0.00 H new ATOM 0 HG23 THR A 9 4.039 6.976 10.837 1.00 0.00 H new ATOM 100 N CYS A 10 1.627 3.012 10.168 1.00 0.00 N ATOM 101 CA CYS A 10 0.986 1.708 10.291 1.00 0.00 C ATOM 102 C CYS A 10 1.157 1.149 11.700 1.00 0.00 C ATOM 103 O CYS A 10 2.258 1.111 12.251 1.00 0.00 O ATOM 104 CB CYS A 10 1.569 0.732 9.268 1.00 0.00 C ATOM 105 SG CYS A 10 0.585 -0.768 9.036 1.00 0.00 S ATOM 0 H CYS A 10 2.551 2.988 9.737 1.00 0.00 H new ATOM 0 HA CYS A 10 -0.079 1.834 10.096 1.00 0.00 H new ATOM 0 HB2 CYS A 10 1.666 1.242 8.310 1.00 0.00 H new ATOM 0 HB3 CYS A 10 2.574 0.450 9.582 1.00 0.00 H new ATOM 0 HG CYS A 10 -0.650 -0.443 8.791 1.00 0.00 H new ATOM 111 N PRO A 11 0.042 0.705 12.300 1.00 0.00 N ATOM 112 CA PRO A 11 0.042 0.142 13.653 1.00 0.00 C ATOM 113 C PRO A 11 0.734 -1.216 13.715 1.00 0.00 C ATOM 114 O PRO A 11 1.010 -1.733 14.798 1.00 0.00 O ATOM 115 CB PRO A 11 -1.447 -0.001 13.978 1.00 0.00 C ATOM 116 CG PRO A 11 -2.114 -0.120 12.652 1.00 0.00 C ATOM 117 CD PRO A 11 -1.304 0.720 11.703 1.00 0.00 C ATOM 0 HA PRO A 11 0.587 0.771 14.357 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.635 -0.879 14.596 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.816 0.863 14.531 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -2.146 -1.159 12.323 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -3.145 0.231 12.701 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -1.302 0.301 10.697 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -1.698 1.733 11.626 1.00 0.00 H new ATOM 125 N ILE A 12 1.010 -1.788 12.548 1.00 0.00 N ATOM 126 CA ILE A 12 1.670 -3.085 12.471 1.00 0.00 C ATOM 127 C ILE A 12 3.171 -2.926 12.256 1.00 0.00 C ATOM 128 O ILE A 12 3.976 -3.297 13.111 1.00 0.00 O ATOM 129 CB ILE A 12 1.088 -3.947 11.335 1.00 0.00 C ATOM 130 CG1 ILE A 12 -0.414 -4.152 11.539 1.00 0.00 C ATOM 131 CG2 ILE A 12 1.807 -5.286 11.264 1.00 0.00 C ATOM 132 CD1 ILE A 12 -1.125 -4.678 10.312 1.00 0.00 C ATOM 0 H ILE A 12 0.787 -1.374 11.643 1.00 0.00 H new ATOM 0 HA ILE A 12 1.493 -3.586 13.423 1.00 0.00 H new ATOM 0 HB ILE A 12 1.239 -3.426 10.390 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.569 -4.847 12.364 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.865 -3.204 11.832 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.384 -5.884 10.456 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.868 -5.120 11.076 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.685 -5.815 12.209 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -2.186 -4.799 10.530 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.002 -3.973 9.490 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -0.700 -5.642 10.031 1.00 0.00 H new ATOM 144 N THR A 13 3.543 -2.370 11.107 1.00 0.00 N ATOM 145 CA THR A 13 4.947 -2.160 10.778 1.00 0.00 C ATOM 146 C THR A 13 5.549 -1.043 11.623 1.00 0.00 C ATOM 147 O THR A 13 6.765 -0.967 11.796 1.00 0.00 O ATOM 148 CB THR A 13 5.130 -1.817 9.288 1.00 0.00 C ATOM 149 OG1 THR A 13 4.559 -0.534 9.007 1.00 0.00 O ATOM 150 CG2 THR A 13 4.480 -2.871 8.405 1.00 0.00 C ATOM 0 H THR A 13 2.890 -2.057 10.388 1.00 0.00 H new ATOM 0 HA THR A 13 5.465 -3.094 10.994 1.00 0.00 H new ATOM 0 HB THR A 13 6.198 -1.794 9.072 1.00 0.00 H new ATOM 0 HG1 THR A 13 4.385 -0.457 8.046 1.00 0.00 H new ATOM 0 HG21 THR A 13 4.623 -2.606 7.357 1.00 0.00 H new ATOM 0 HG22 THR A 13 4.937 -3.841 8.600 1.00 0.00 H new ATOM 0 HG23 THR A 13 3.413 -2.922 8.624 1.00 0.00 H new ATOM 158 N LYS A 14 4.689 -0.177 12.149 1.00 0.00 N ATOM 159 CA LYS A 14 5.135 0.936 12.979 1.00 0.00 C ATOM 160 C LYS A 14 6.008 1.896 12.177 1.00 0.00 C ATOM 161 O LYS A 14 7.035 2.367 12.664 1.00 0.00 O ATOM 162 CB LYS A 14 5.910 0.416 14.192 1.00 0.00 C ATOM 163 CG LYS A 14 5.199 -0.701 14.935 1.00 0.00 C ATOM 164 CD LYS A 14 3.932 -0.203 15.610 1.00 0.00 C ATOM 165 CE LYS A 14 4.105 -0.107 17.119 1.00 0.00 C ATOM 166 NZ LYS A 14 3.455 1.112 17.675 1.00 0.00 N ATOM 0 H LYS A 14 3.679 -0.225 12.015 1.00 0.00 H new ATOM 0 HA LYS A 14 4.253 1.476 13.324 1.00 0.00 H new ATOM 0 HB2 LYS A 14 6.886 0.059 13.863 1.00 0.00 H new ATOM 0 HB3 LYS A 14 6.089 1.242 14.880 1.00 0.00 H new ATOM 0 HG2 LYS A 14 4.951 -1.502 14.239 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.868 -1.125 15.683 1.00 0.00 H new ATOM 0 HD2 LYS A 14 3.666 0.776 15.210 1.00 0.00 H new ATOM 0 HD3 LYS A 14 3.107 -0.877 15.379 1.00 0.00 H new ATOM 0 HE2 LYS A 14 3.679 -0.993 17.590 1.00 0.00 H new ATOM 0 HE3 LYS A 14 5.167 -0.096 17.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 3.595 1.141 18.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 3.878 1.958 17.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 2.437 1.089 17.465 1.00 0.00 H new ATOM 180 N GLU A 15 5.590 2.183 10.948 1.00 0.00 N ATOM 181 CA GLU A 15 6.335 3.088 10.081 1.00 0.00 C ATOM 182 C GLU A 15 5.416 3.728 9.045 1.00 0.00 C ATOM 183 O GLU A 15 4.263 3.326 8.891 1.00 0.00 O ATOM 184 CB GLU A 15 7.470 2.339 9.379 1.00 0.00 C ATOM 185 CG GLU A 15 6.987 1.312 8.368 1.00 0.00 C ATOM 186 CD GLU A 15 7.627 1.491 7.005 1.00 0.00 C ATOM 187 OE1 GLU A 15 8.778 1.972 6.949 1.00 0.00 O ATOM 188 OE2 GLU A 15 6.976 1.151 5.995 1.00 0.00 O ATOM 0 H GLU A 15 4.741 1.802 10.531 1.00 0.00 H new ATOM 0 HA GLU A 15 6.760 3.877 10.702 1.00 0.00 H new ATOM 0 HB2 GLU A 15 8.112 3.060 8.873 1.00 0.00 H new ATOM 0 HB3 GLU A 15 8.082 1.838 10.129 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.206 0.311 8.740 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.904 1.386 8.269 1.00 0.00 H new ATOM 195 N GLU A 16 5.935 4.727 8.338 1.00 0.00 N ATOM 196 CA GLU A 16 5.161 5.423 7.317 1.00 0.00 C ATOM 197 C GLU A 16 4.544 4.434 6.332 1.00 0.00 C ATOM 198 O GLU A 16 5.124 3.387 6.044 1.00 0.00 O ATOM 199 CB GLU A 16 6.045 6.422 6.568 1.00 0.00 C ATOM 200 CG GLU A 16 5.317 7.692 6.160 1.00 0.00 C ATOM 201 CD GLU A 16 6.058 8.948 6.576 1.00 0.00 C ATOM 202 OE1 GLU A 16 6.456 9.038 7.756 1.00 0.00 O ATOM 203 OE2 GLU A 16 6.239 9.841 5.722 1.00 0.00 O ATOM 0 H GLU A 16 6.888 5.072 8.454 1.00 0.00 H new ATOM 0 HA GLU A 16 4.355 5.963 7.814 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.894 6.686 7.198 1.00 0.00 H new ATOM 0 HB3 GLU A 16 6.447 5.941 5.676 1.00 0.00 H new ATOM 0 HG2 GLU A 16 5.180 7.697 5.079 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.323 7.696 6.607 1.00 0.00 H new ATOM 210 N MET A 17 3.366 4.774 5.821 1.00 0.00 N ATOM 211 CA MET A 17 2.671 3.916 4.868 1.00 0.00 C ATOM 212 C MET A 17 2.733 4.503 3.462 1.00 0.00 C ATOM 213 O MET A 17 2.577 5.710 3.274 1.00 0.00 O ATOM 214 CB MET A 17 1.212 3.726 5.290 1.00 0.00 C ATOM 215 CG MET A 17 1.042 3.422 6.770 1.00 0.00 C ATOM 216 SD MET A 17 -0.508 2.576 7.131 1.00 0.00 S ATOM 217 CE MET A 17 -1.634 3.965 7.242 1.00 0.00 C ATOM 0 H MET A 17 2.873 5.637 6.050 1.00 0.00 H new ATOM 0 HA MET A 17 3.169 2.946 4.860 1.00 0.00 H new ATOM 0 HB2 MET A 17 0.651 4.628 5.046 1.00 0.00 H new ATOM 0 HB3 MET A 17 0.777 2.913 4.708 1.00 0.00 H new ATOM 0 HG2 MET A 17 1.875 2.806 7.108 1.00 0.00 H new ATOM 0 HG3 MET A 17 1.084 4.353 7.335 1.00 0.00 H new ATOM 0 HE1 MET A 17 -2.638 3.603 7.462 1.00 0.00 H new ATOM 0 HE2 MET A 17 -1.308 4.635 8.037 1.00 0.00 H new ATOM 0 HE3 MET A 17 -1.642 4.504 6.294 1.00 0.00 H new ATOM 227 N LYS A 18 2.962 3.643 2.476 1.00 0.00 N ATOM 228 CA LYS A 18 3.044 4.075 1.086 1.00 0.00 C ATOM 229 C LYS A 18 1.806 3.643 0.307 1.00 0.00 C ATOM 230 O LYS A 18 1.331 4.360 -0.574 1.00 0.00 O ATOM 231 CB LYS A 18 4.300 3.503 0.425 1.00 0.00 C ATOM 232 CG LYS A 18 5.580 3.810 1.185 1.00 0.00 C ATOM 233 CD LYS A 18 5.933 5.286 1.110 1.00 0.00 C ATOM 234 CE LYS A 18 6.996 5.552 0.055 1.00 0.00 C ATOM 235 NZ LYS A 18 6.398 5.767 -1.292 1.00 0.00 N ATOM 0 H LYS A 18 3.094 2.641 2.614 1.00 0.00 H new ATOM 0 HA LYS A 18 3.098 5.164 1.074 1.00 0.00 H new ATOM 0 HB2 LYS A 18 4.192 2.422 0.333 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.383 3.902 -0.586 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.464 3.515 2.228 1.00 0.00 H new ATOM 0 HG3 LYS A 18 6.398 3.218 0.775 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.038 5.864 0.880 1.00 0.00 H new ATOM 0 HD3 LYS A 18 6.291 5.626 2.082 1.00 0.00 H new ATOM 0 HE2 LYS A 18 7.578 6.429 0.338 1.00 0.00 H new ATOM 0 HE3 LYS A 18 7.687 4.710 0.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 7.130 6.110 -1.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 6.010 4.870 -1.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 5.636 6.472 -1.225 1.00 0.00 H new ATOM 249 N LYS A 19 1.286 2.466 0.638 1.00 0.00 N ATOM 250 CA LYS A 19 0.101 1.938 -0.028 1.00 0.00 C ATOM 251 C LYS A 19 -1.002 1.636 0.983 1.00 0.00 C ATOM 252 O LYS A 19 -1.179 0.500 1.423 1.00 0.00 O ATOM 253 CB LYS A 19 0.452 0.670 -0.809 1.00 0.00 C ATOM 254 CG LYS A 19 0.980 0.944 -2.207 1.00 0.00 C ATOM 255 CD LYS A 19 2.374 0.372 -2.399 1.00 0.00 C ATOM 256 CE LYS A 19 3.448 1.400 -2.078 1.00 0.00 C ATOM 257 NZ LYS A 19 4.105 1.918 -3.309 1.00 0.00 N ATOM 0 H LYS A 19 1.667 1.859 1.364 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.263 2.696 -0.722 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.199 0.105 -0.252 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.435 0.041 -0.881 1.00 0.00 H new ATOM 0 HG2 LYS A 19 0.303 0.511 -2.944 1.00 0.00 H new ATOM 0 HG3 LYS A 19 0.999 2.019 -2.385 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.502 -0.501 -1.759 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.490 0.032 -3.428 1.00 0.00 H new ATOM 0 HE2 LYS A 19 3.004 2.229 -1.527 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.198 0.950 -1.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.831 2.616 -3.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 4.551 1.131 -3.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 3.394 2.370 -3.918 1.00 0.00 H new ATOM 271 N PRO A 20 -1.762 2.675 1.358 1.00 0.00 N ATOM 272 CA PRO A 20 -2.862 2.544 2.319 1.00 0.00 C ATOM 273 C PRO A 20 -4.040 1.762 1.749 1.00 0.00 C ATOM 274 O PRO A 20 -4.476 2.009 0.624 1.00 0.00 O ATOM 275 CB PRO A 20 -3.266 3.995 2.595 1.00 0.00 C ATOM 276 CG PRO A 20 -2.848 4.743 1.376 1.00 0.00 C ATOM 277 CD PRO A 20 -1.607 4.057 0.874 1.00 0.00 C ATOM 0 HA PRO A 20 -2.561 1.994 3.211 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -4.339 4.082 2.764 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -2.771 4.381 3.486 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -3.634 4.729 0.621 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -2.648 5.789 1.609 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -1.538 4.097 -0.213 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -0.703 4.522 1.268 1.00 0.00 H new ATOM 285 N VAL A 21 -4.552 0.818 2.532 1.00 0.00 N ATOM 286 CA VAL A 21 -5.681 0.000 2.105 1.00 0.00 C ATOM 287 C VAL A 21 -6.788 0.001 3.154 1.00 0.00 C ATOM 288 O VAL A 21 -6.528 -0.160 4.347 1.00 0.00 O ATOM 289 CB VAL A 21 -5.251 -1.453 1.830 1.00 0.00 C ATOM 290 CG1 VAL A 21 -4.303 -1.513 0.642 1.00 0.00 C ATOM 291 CG2 VAL A 21 -4.606 -2.060 3.067 1.00 0.00 C ATOM 0 H VAL A 21 -4.203 0.601 3.465 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.058 0.440 1.182 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.139 -2.037 1.587 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.010 -2.547 0.462 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -4.803 -1.119 -0.243 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.416 -0.916 0.854 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.308 -3.087 2.855 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.727 -1.477 3.343 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.320 -2.052 3.891 1.00 0.00 H new ATOM 301 N LYS A 22 -8.024 0.184 2.702 1.00 0.00 N ATOM 302 CA LYS A 22 -9.172 0.204 3.600 1.00 0.00 C ATOM 303 C LYS A 22 -9.941 -1.112 3.530 1.00 0.00 C ATOM 304 O LYS A 22 -10.017 -1.741 2.476 1.00 0.00 O ATOM 305 CB LYS A 22 -10.100 1.369 3.248 1.00 0.00 C ATOM 306 CG LYS A 22 -11.142 1.660 4.314 1.00 0.00 C ATOM 307 CD LYS A 22 -12.336 2.404 3.740 1.00 0.00 C ATOM 308 CE LYS A 22 -13.213 1.488 2.901 1.00 0.00 C ATOM 309 NZ LYS A 22 -14.015 2.248 1.903 1.00 0.00 N ATOM 0 H LYS A 22 -8.256 0.321 1.718 1.00 0.00 H new ATOM 0 HA LYS A 22 -8.804 0.335 4.618 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -9.500 2.264 3.085 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -10.606 1.148 2.308 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -11.477 0.724 4.762 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -10.692 2.252 5.111 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -12.925 2.830 4.552 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -11.988 3.236 3.128 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -12.588 0.759 2.385 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -13.882 0.928 3.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -14.561 1.584 1.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -14.667 2.890 2.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -13.378 2.802 1.295 1.00 0.00 H new ATOM 323 N ASN A 23 -10.510 -1.520 4.659 1.00 0.00 N ATOM 324 CA ASN A 23 -11.274 -2.761 4.725 1.00 0.00 C ATOM 325 C ASN A 23 -12.754 -2.503 4.461 1.00 0.00 C ATOM 326 O ASN A 23 -13.236 -1.379 4.605 1.00 0.00 O ATOM 327 CB ASN A 23 -11.097 -3.421 6.094 1.00 0.00 C ATOM 328 CG ASN A 23 -11.010 -4.932 6.000 1.00 0.00 C ATOM 329 OD1 ASN A 23 -10.460 -5.475 5.042 1.00 0.00 O ATOM 330 ND2 ASN A 23 -11.555 -5.619 6.997 1.00 0.00 N ATOM 0 H ASN A 23 -10.457 -1.010 5.541 1.00 0.00 H new ATOM 0 HA ASN A 23 -10.897 -3.432 3.954 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -10.193 -3.036 6.566 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -11.933 -3.147 6.737 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -11.528 -6.639 6.988 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -12.001 -5.127 7.771 1.00 0.00 H new ATOM 337 N LYS A 24 -13.472 -3.552 4.073 1.00 0.00 N ATOM 338 CA LYS A 24 -14.898 -3.441 3.789 1.00 0.00 C ATOM 339 C LYS A 24 -15.727 -3.859 4.999 1.00 0.00 C ATOM 340 O LYS A 24 -16.876 -3.443 5.151 1.00 0.00 O ATOM 341 CB LYS A 24 -15.267 -4.306 2.581 1.00 0.00 C ATOM 342 CG LYS A 24 -14.301 -4.169 1.418 1.00 0.00 C ATOM 343 CD LYS A 24 -15.034 -3.929 0.109 1.00 0.00 C ATOM 344 CE LYS A 24 -15.917 -5.111 -0.260 1.00 0.00 C ATOM 345 NZ LYS A 24 -16.049 -5.265 -1.736 1.00 0.00 N ATOM 0 H LYS A 24 -13.089 -4.489 3.948 1.00 0.00 H new ATOM 0 HA LYS A 24 -15.118 -2.398 3.562 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -15.304 -5.351 2.890 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -16.268 -4.037 2.244 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -13.615 -3.343 1.609 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -13.697 -5.073 1.337 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -15.644 -3.030 0.192 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -14.311 -3.751 -0.687 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -15.498 -6.024 0.164 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -16.905 -4.978 0.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -16.658 -6.081 -1.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -16.472 -4.404 -2.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -15.109 -5.417 -2.155 1.00 0.00 H new ATOM 359 N VAL A 25 -15.137 -4.683 5.859 1.00 0.00 N ATOM 360 CA VAL A 25 -15.820 -5.155 7.058 1.00 0.00 C ATOM 361 C VAL A 25 -15.829 -4.084 8.143 1.00 0.00 C ATOM 362 O VAL A 25 -16.884 -3.568 8.512 1.00 0.00 O ATOM 363 CB VAL A 25 -15.160 -6.430 7.615 1.00 0.00 C ATOM 364 CG1 VAL A 25 -15.996 -7.015 8.743 1.00 0.00 C ATOM 365 CG2 VAL A 25 -14.955 -7.451 6.507 1.00 0.00 C ATOM 0 H VAL A 25 -14.187 -5.038 5.748 1.00 0.00 H new ATOM 0 HA VAL A 25 -16.846 -5.383 6.769 1.00 0.00 H new ATOM 0 HB VAL A 25 -14.183 -6.166 8.019 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -15.514 -7.915 9.124 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -16.086 -6.284 9.546 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -16.988 -7.266 8.368 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -14.488 -8.346 6.919 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -15.919 -7.713 6.071 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -14.311 -7.027 5.736 1.00 0.00 H new ATOM 375 N CYS A 26 -14.646 -3.754 8.650 1.00 0.00 N ATOM 376 CA CYS A 26 -14.516 -2.745 9.694 1.00 0.00 C ATOM 377 C CYS A 26 -14.462 -1.344 9.092 1.00 0.00 C ATOM 378 O CYS A 26 -15.212 -0.455 9.491 1.00 0.00 O ATOM 379 CB CYS A 26 -13.260 -3.002 10.528 1.00 0.00 C ATOM 380 SG CYS A 26 -12.940 -1.738 11.800 1.00 0.00 S ATOM 0 H CYS A 26 -13.763 -4.171 8.354 1.00 0.00 H new ATOM 0 HA CYS A 26 -15.392 -2.811 10.339 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -13.351 -3.974 11.012 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -12.399 -3.057 9.861 1.00 0.00 H new ATOM 0 HG CYS A 26 -11.668 -1.472 11.837 1.00 0.00 H new ATOM 385 N GLY A 27 -13.567 -1.155 8.126 1.00 0.00 N ATOM 386 CA GLY A 27 -13.431 0.139 7.484 1.00 0.00 C ATOM 387 C GLY A 27 -12.102 0.801 7.788 1.00 0.00 C ATOM 388 O GLY A 27 -11.738 1.797 7.162 1.00 0.00 O ATOM 0 H GLY A 27 -12.934 -1.875 7.777 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -13.535 0.019 6.406 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -14.241 0.790 7.812 1.00 0.00 H new ATOM 392 N HIS A 28 -11.374 0.247 8.752 1.00 0.00 N ATOM 393 CA HIS A 28 -10.077 0.790 9.139 1.00 0.00 C ATOM 394 C HIS A 28 -9.132 0.847 7.942 1.00 0.00 C ATOM 395 O HIS A 28 -9.496 0.459 6.831 1.00 0.00 O ATOM 396 CB HIS A 28 -9.457 -0.055 10.253 1.00 0.00 C ATOM 397 CG HIS A 28 -9.689 0.499 11.625 1.00 0.00 C ATOM 398 ND1 HIS A 28 -9.891 -0.295 12.733 1.00 0.00 N ATOM 399 CD2 HIS A 28 -9.747 1.778 12.065 1.00 0.00 C ATOM 400 CE1 HIS A 28 -10.066 0.471 13.795 1.00 0.00 C ATOM 401 NE2 HIS A 28 -9.983 1.733 13.417 1.00 0.00 N ATOM 0 H HIS A 28 -11.660 -0.578 9.280 1.00 0.00 H new ATOM 0 HA HIS A 28 -10.232 1.805 9.506 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -9.867 -1.064 10.203 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -8.384 -0.138 10.080 1.00 0.00 H new ATOM 0 HD1 HIS A 28 -9.903 -1.315 12.733 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -9.630 2.668 11.465 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -10.246 0.124 14.802 1.00 0.00 H new ATOM 409 N THR A 29 -7.917 1.334 8.176 1.00 0.00 N ATOM 410 CA THR A 29 -6.922 1.444 7.117 1.00 0.00 C ATOM 411 C THR A 29 -5.565 0.928 7.583 1.00 0.00 C ATOM 412 O THR A 29 -5.167 1.146 8.728 1.00 0.00 O ATOM 413 CB THR A 29 -6.768 2.900 6.639 1.00 0.00 C ATOM 414 OG1 THR A 29 -7.636 3.756 7.390 1.00 0.00 O ATOM 415 CG2 THR A 29 -7.089 3.019 5.156 1.00 0.00 C ATOM 0 H THR A 29 -7.599 1.658 9.089 1.00 0.00 H new ATOM 0 HA THR A 29 -7.275 0.833 6.287 1.00 0.00 H new ATOM 0 HB THR A 29 -5.733 3.204 6.796 1.00 0.00 H new ATOM 0 HG1 THR A 29 -7.531 4.680 7.081 1.00 0.00 H new ATOM 0 HG21 THR A 29 -6.974 4.056 4.841 1.00 0.00 H new ATOM 0 HG22 THR A 29 -6.408 2.388 4.585 1.00 0.00 H new ATOM 0 HG23 THR A 29 -8.116 2.698 4.979 1.00 0.00 H new ATOM 423 N TYR A 30 -4.858 0.245 6.689 1.00 0.00 N ATOM 424 CA TYR A 30 -3.546 -0.303 7.010 1.00 0.00 C ATOM 425 C TYR A 30 -2.613 -0.224 5.805 1.00 0.00 C ATOM 426 O TYR A 30 -3.013 0.210 4.725 1.00 0.00 O ATOM 427 CB TYR A 30 -3.676 -1.754 7.475 1.00 0.00 C ATOM 428 CG TYR A 30 -4.931 -2.025 8.273 1.00 0.00 C ATOM 429 CD1 TYR A 30 -5.029 -1.635 9.603 1.00 0.00 C ATOM 430 CD2 TYR A 30 -6.018 -2.670 7.697 1.00 0.00 C ATOM 431 CE1 TYR A 30 -6.174 -1.880 10.336 1.00 0.00 C ATOM 432 CE2 TYR A 30 -7.167 -2.919 8.423 1.00 0.00 C ATOM 433 CZ TYR A 30 -7.240 -2.522 9.742 1.00 0.00 C ATOM 434 OH TYR A 30 -8.383 -2.768 10.468 1.00 0.00 O ATOM 0 H TYR A 30 -5.172 0.058 5.737 1.00 0.00 H new ATOM 0 HA TYR A 30 -3.119 0.293 7.817 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -3.662 -2.408 6.603 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -2.808 -2.011 8.081 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -4.196 -1.132 10.072 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -5.964 -2.982 6.664 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -6.234 -1.570 11.369 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -8.003 -3.422 7.960 1.00 0.00 H new ATOM 0 HH TYR A 30 -9.038 -3.227 9.901 1.00 0.00 H new ATOM 444 N GLU A 31 -1.369 -0.649 5.999 1.00 0.00 N ATOM 445 CA GLU A 31 -0.379 -0.627 4.929 1.00 0.00 C ATOM 446 C GLU A 31 -0.428 -1.917 4.116 1.00 0.00 C ATOM 447 O GLU A 31 -0.690 -2.992 4.654 1.00 0.00 O ATOM 448 CB GLU A 31 1.024 -0.428 5.505 1.00 0.00 C ATOM 449 CG GLU A 31 2.136 -0.652 4.494 1.00 0.00 C ATOM 450 CD GLU A 31 3.348 0.221 4.756 1.00 0.00 C ATOM 451 OE1 GLU A 31 3.731 0.363 5.936 1.00 0.00 O ATOM 452 OE2 GLU A 31 3.913 0.761 3.783 1.00 0.00 O ATOM 0 H GLU A 31 -1.023 -1.013 6.887 1.00 0.00 H new ATOM 0 HA GLU A 31 -0.614 0.208 4.269 1.00 0.00 H new ATOM 0 HB2 GLU A 31 1.104 0.584 5.902 1.00 0.00 H new ATOM 0 HB3 GLU A 31 1.164 -1.111 6.343 1.00 0.00 H new ATOM 0 HG2 GLU A 31 2.436 -1.700 4.516 1.00 0.00 H new ATOM 0 HG3 GLU A 31 1.757 -0.450 3.492 1.00 0.00 H new ATOM 459 N GLU A 32 -0.175 -1.801 2.816 1.00 0.00 N ATOM 460 CA GLU A 32 -0.191 -2.958 1.928 1.00 0.00 C ATOM 461 C GLU A 32 0.734 -4.055 2.447 1.00 0.00 C ATOM 462 O GLU A 32 0.278 -5.118 2.869 1.00 0.00 O ATOM 463 CB GLU A 32 0.226 -2.550 0.514 1.00 0.00 C ATOM 464 CG GLU A 32 -0.201 -3.540 -0.556 1.00 0.00 C ATOM 465 CD GLU A 32 0.138 -3.068 -1.957 1.00 0.00 C ATOM 466 OE1 GLU A 32 1.308 -3.215 -2.366 1.00 0.00 O ATOM 467 OE2 GLU A 32 -0.768 -2.551 -2.644 1.00 0.00 O ATOM 0 H GLU A 32 0.043 -0.918 2.354 1.00 0.00 H new ATOM 0 HA GLU A 32 -1.208 -3.348 1.900 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.202 -1.574 0.286 1.00 0.00 H new ATOM 0 HB3 GLU A 32 1.310 -2.438 0.482 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.284 -4.499 -0.373 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -1.276 -3.707 -0.483 1.00 0.00 H new ATOM 474 N ASP A 33 2.035 -3.789 2.412 1.00 0.00 N ATOM 475 CA ASP A 33 3.025 -4.753 2.879 1.00 0.00 C ATOM 476 C ASP A 33 2.670 -5.265 4.271 1.00 0.00 C ATOM 477 O ASP A 33 2.982 -6.403 4.623 1.00 0.00 O ATOM 478 CB ASP A 33 4.417 -4.119 2.895 1.00 0.00 C ATOM 479 CG ASP A 33 4.892 -3.732 1.508 1.00 0.00 C ATOM 480 OD1 ASP A 33 5.275 -4.637 0.739 1.00 0.00 O ATOM 481 OD2 ASP A 33 4.883 -2.523 1.193 1.00 0.00 O ATOM 0 H ASP A 33 2.429 -2.914 2.065 1.00 0.00 H new ATOM 0 HA ASP A 33 3.027 -5.598 2.190 1.00 0.00 H new ATOM 0 HB2 ASP A 33 4.403 -3.234 3.531 1.00 0.00 H new ATOM 0 HB3 ASP A 33 5.127 -4.818 3.337 1.00 0.00 H new ATOM 486 N ALA A 34 2.017 -4.418 5.060 1.00 0.00 N ATOM 487 CA ALA A 34 1.619 -4.786 6.413 1.00 0.00 C ATOM 488 C ALA A 34 0.521 -5.844 6.394 1.00 0.00 C ATOM 489 O ALA A 34 0.711 -6.957 6.886 1.00 0.00 O ATOM 490 CB ALA A 34 1.156 -3.556 7.179 1.00 0.00 C ATOM 0 H ALA A 34 1.752 -3.472 4.785 1.00 0.00 H new ATOM 0 HA ALA A 34 2.487 -5.210 6.918 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.862 -3.845 8.188 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.970 -2.833 7.232 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.304 -3.108 6.667 1.00 0.00 H new ATOM 496 N ILE A 35 -0.625 -5.490 5.823 1.00 0.00 N ATOM 497 CA ILE A 35 -1.753 -6.410 5.741 1.00 0.00 C ATOM 498 C ILE A 35 -1.405 -7.631 4.895 1.00 0.00 C ATOM 499 O ILE A 35 -2.047 -8.676 5.000 1.00 0.00 O ATOM 500 CB ILE A 35 -2.997 -5.725 5.145 1.00 0.00 C ATOM 501 CG1 ILE A 35 -4.228 -6.618 5.313 1.00 0.00 C ATOM 502 CG2 ILE A 35 -2.769 -5.397 3.677 1.00 0.00 C ATOM 503 CD1 ILE A 35 -4.580 -6.896 6.758 1.00 0.00 C ATOM 0 H ILE A 35 -0.797 -4.573 5.410 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.976 -6.727 6.760 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.173 -4.793 5.682 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -5.080 -6.145 4.825 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.053 -7.564 4.802 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.657 -4.913 3.270 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.915 -4.726 3.582 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.571 -6.316 3.125 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.462 -7.535 6.801 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.744 -7.398 7.246 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.787 -5.956 7.269 1.00 0.00 H new ATOM 515 N VAL A 36 -0.383 -7.491 4.056 1.00 0.00 N ATOM 516 CA VAL A 36 0.053 -8.583 3.194 1.00 0.00 C ATOM 517 C VAL A 36 1.020 -9.508 3.924 1.00 0.00 C ATOM 518 O VAL A 36 0.972 -10.727 3.761 1.00 0.00 O ATOM 519 CB VAL A 36 0.732 -8.053 1.917 1.00 0.00 C ATOM 520 CG1 VAL A 36 1.359 -9.195 1.132 1.00 0.00 C ATOM 521 CG2 VAL A 36 -0.267 -7.290 1.060 1.00 0.00 C ATOM 0 H VAL A 36 0.158 -6.632 3.955 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.840 -9.143 2.917 1.00 0.00 H new ATOM 0 HB VAL A 36 1.526 -7.365 2.207 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.834 -8.801 0.233 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.107 -9.693 1.749 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.586 -9.910 0.850 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.230 -6.923 0.162 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.085 -7.953 0.777 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.663 -6.447 1.626 1.00 0.00 H new ATOM 531 N ARG A 37 1.897 -8.920 4.732 1.00 0.00 N ATOM 532 CA ARG A 37 2.876 -9.692 5.487 1.00 0.00 C ATOM 533 C ARG A 37 2.250 -10.278 6.749 1.00 0.00 C ATOM 534 O ARG A 37 2.721 -11.284 7.278 1.00 0.00 O ATOM 535 CB ARG A 37 4.072 -8.813 5.859 1.00 0.00 C ATOM 536 CG ARG A 37 3.801 -7.877 7.025 1.00 0.00 C ATOM 537 CD ARG A 37 5.021 -7.033 7.358 1.00 0.00 C ATOM 538 NE ARG A 37 6.123 -7.843 7.871 1.00 0.00 N ATOM 539 CZ ARG A 37 6.123 -8.405 9.075 1.00 0.00 C ATOM 540 NH1 ARG A 37 5.085 -8.247 9.884 1.00 0.00 N ATOM 541 NH2 ARG A 37 7.163 -9.128 9.470 1.00 0.00 N ATOM 0 H ARG A 37 1.949 -7.912 4.880 1.00 0.00 H new ATOM 0 HA ARG A 37 3.219 -10.513 4.857 1.00 0.00 H new ATOM 0 HB2 ARG A 37 4.919 -9.453 6.107 1.00 0.00 H new ATOM 0 HB3 ARG A 37 4.362 -8.222 4.990 1.00 0.00 H new ATOM 0 HG2 ARG A 37 2.962 -7.225 6.782 1.00 0.00 H new ATOM 0 HG3 ARG A 37 3.510 -8.459 7.900 1.00 0.00 H new ATOM 0 HD2 ARG A 37 5.348 -6.500 6.465 1.00 0.00 H new ATOM 0 HD3 ARG A 37 4.750 -6.280 8.098 1.00 0.00 H new ATOM 0 HE ARG A 37 6.937 -7.985 7.272 1.00 0.00 H new ATOM 0 HH11 ARG A 37 4.283 -7.693 9.583 1.00 0.00 H new ATOM 0 HH12 ARG A 37 5.088 -8.680 10.808 1.00 0.00 H new ATOM 0 HH21 ARG A 37 7.963 -9.252 8.849 1.00 0.00 H new ATOM 0 HH22 ARG A 37 7.163 -9.559 10.394 1.00 0.00 H new ATOM 555 N MET A 38 1.186 -9.640 7.227 1.00 0.00 N ATOM 556 CA MET A 38 0.495 -10.099 8.426 1.00 0.00 C ATOM 557 C MET A 38 -0.351 -11.332 8.128 1.00 0.00 C ATOM 558 O MET A 38 -0.148 -12.393 8.721 1.00 0.00 O ATOM 559 CB MET A 38 -0.388 -8.984 8.990 1.00 0.00 C ATOM 560 CG MET A 38 -1.242 -9.422 10.169 1.00 0.00 C ATOM 561 SD MET A 38 -1.502 -8.101 11.367 1.00 0.00 S ATOM 562 CE MET A 38 -3.233 -7.732 11.095 1.00 0.00 C ATOM 0 H MET A 38 0.784 -8.804 6.802 1.00 0.00 H new ATOM 0 HA MET A 38 1.247 -10.367 9.168 1.00 0.00 H new ATOM 0 HB2 MET A 38 0.245 -8.152 9.300 1.00 0.00 H new ATOM 0 HB3 MET A 38 -1.039 -8.612 8.199 1.00 0.00 H new ATOM 0 HG2 MET A 38 -2.208 -9.771 9.803 1.00 0.00 H new ATOM 0 HG3 MET A 38 -0.764 -10.267 10.664 1.00 0.00 H new ATOM 0 HE1 MET A 38 -3.684 -7.393 12.028 1.00 0.00 H new ATOM 0 HE2 MET A 38 -3.324 -6.949 10.342 1.00 0.00 H new ATOM 0 HE3 MET A 38 -3.746 -8.629 10.749 1.00 0.00 H new ATOM 572 N ILE A 39 -1.298 -11.187 7.208 1.00 0.00 N ATOM 573 CA ILE A 39 -2.173 -12.290 6.832 1.00 0.00 C ATOM 574 C ILE A 39 -1.366 -13.522 6.437 1.00 0.00 C ATOM 575 O ILE A 39 -1.715 -14.646 6.797 1.00 0.00 O ATOM 576 CB ILE A 39 -3.100 -11.901 5.665 1.00 0.00 C ATOM 577 CG1 ILE A 39 -3.951 -10.687 6.044 1.00 0.00 C ATOM 578 CG2 ILE A 39 -3.985 -13.076 5.278 1.00 0.00 C ATOM 579 CD1 ILE A 39 -4.695 -10.082 4.874 1.00 0.00 C ATOM 0 H ILE A 39 -1.479 -10.316 6.709 1.00 0.00 H new ATOM 0 HA ILE A 39 -2.781 -12.522 7.706 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.486 -11.636 4.805 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -4.670 -10.982 6.808 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.308 -9.927 6.488 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.634 -12.786 4.452 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -3.361 -13.916 4.971 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.594 -13.370 6.133 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.277 -9.226 5.216 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.981 -9.756 4.118 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -5.364 -10.827 4.444 1.00 0.00 H new ATOM 591 N GLU A 40 -0.285 -13.301 5.696 1.00 0.00 N ATOM 592 CA GLU A 40 0.572 -14.394 5.253 1.00 0.00 C ATOM 593 C GLU A 40 1.332 -15.001 6.429 1.00 0.00 C ATOM 594 O GLU A 40 1.703 -16.175 6.403 1.00 0.00 O ATOM 595 CB GLU A 40 1.561 -13.900 4.194 1.00 0.00 C ATOM 596 CG GLU A 40 0.936 -13.702 2.823 1.00 0.00 C ATOM 597 CD GLU A 40 1.401 -14.735 1.815 1.00 0.00 C ATOM 598 OE1 GLU A 40 2.629 -14.905 1.665 1.00 0.00 O ATOM 599 OE2 GLU A 40 0.538 -15.373 1.177 1.00 0.00 O ATOM 0 H GLU A 40 0.018 -12.376 5.390 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.063 -15.164 4.816 1.00 0.00 H new ATOM 0 HB2 GLU A 40 1.995 -12.957 4.526 1.00 0.00 H new ATOM 0 HB3 GLU A 40 2.379 -14.615 4.111 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -0.149 -13.750 2.912 1.00 0.00 H new ATOM 0 HG3 GLU A 40 1.182 -12.705 2.456 1.00 0.00 H new ATOM 606 N SER A 41 1.560 -14.193 7.459 1.00 0.00 N ATOM 607 CA SER A 41 2.279 -14.648 8.643 1.00 0.00 C ATOM 608 C SER A 41 1.352 -15.419 9.578 1.00 0.00 C ATOM 609 O SER A 41 1.751 -16.413 10.185 1.00 0.00 O ATOM 610 CB SER A 41 2.892 -13.457 9.382 1.00 0.00 C ATOM 611 OG SER A 41 3.188 -13.789 10.728 1.00 0.00 O ATOM 0 H SER A 41 1.257 -13.220 7.498 1.00 0.00 H new ATOM 0 HA SER A 41 3.077 -15.316 8.319 1.00 0.00 H new ATOM 0 HB2 SER A 41 3.802 -13.139 8.874 1.00 0.00 H new ATOM 0 HB3 SER A 41 2.201 -12.614 9.356 1.00 0.00 H new ATOM 0 HG SER A 41 3.580 -13.012 11.178 1.00 0.00 H new ATOM 617 N ARG A 42 0.113 -14.952 9.690 1.00 0.00 N ATOM 618 CA ARG A 42 -0.871 -15.596 10.552 1.00 0.00 C ATOM 619 C ARG A 42 -1.229 -16.983 10.027 1.00 0.00 C ATOM 620 O ARG A 42 -1.166 -17.970 10.760 1.00 0.00 O ATOM 621 CB ARG A 42 -2.133 -14.736 10.652 1.00 0.00 C ATOM 622 CG ARG A 42 -1.868 -13.320 11.136 1.00 0.00 C ATOM 623 CD ARG A 42 -1.931 -13.229 12.653 1.00 0.00 C ATOM 624 NE ARG A 42 -0.791 -12.503 13.205 1.00 0.00 N ATOM 625 CZ ARG A 42 -0.559 -12.381 14.508 1.00 0.00 C ATOM 626 NH1 ARG A 42 -1.383 -12.934 15.386 1.00 0.00 N ATOM 627 NH2 ARG A 42 0.501 -11.704 14.933 1.00 0.00 N ATOM 0 H ARG A 42 -0.233 -14.130 9.195 1.00 0.00 H new ATOM 0 HA ARG A 42 -0.433 -15.704 11.544 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -2.612 -14.693 9.674 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -2.837 -15.217 11.331 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -0.887 -12.994 10.791 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -2.601 -12.642 10.699 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -2.855 -12.732 12.948 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -1.960 -14.233 13.076 1.00 0.00 H new ATOM 0 HE ARG A 42 -0.137 -12.066 12.556 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -2.198 -13.455 15.063 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -1.202 -12.839 16.385 1.00 0.00 H new ATOM 0 HH21 ARG A 42 1.137 -11.277 14.260 1.00 0.00 H new ATOM 0 HH22 ARG A 42 0.679 -11.610 15.933 1.00 0.00 H new ATOM 641 N GLN A 43 -1.604 -17.050 8.754 1.00 0.00 N ATOM 642 CA GLN A 43 -1.973 -18.317 8.132 1.00 0.00 C ATOM 643 C GLN A 43 -0.888 -19.366 8.349 1.00 0.00 C ATOM 644 O GLN A 43 -1.173 -20.560 8.445 1.00 0.00 O ATOM 645 CB GLN A 43 -2.218 -18.121 6.635 1.00 0.00 C ATOM 646 CG GLN A 43 -3.657 -18.375 6.216 1.00 0.00 C ATOM 647 CD GLN A 43 -3.812 -19.643 5.398 1.00 0.00 C ATOM 648 OE1 GLN A 43 -3.516 -20.740 5.871 1.00 0.00 O ATOM 649 NE2 GLN A 43 -4.279 -19.498 4.164 1.00 0.00 N ATOM 0 H GLN A 43 -1.660 -16.243 8.133 1.00 0.00 H new ATOM 0 HA GLN A 43 -2.892 -18.670 8.600 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -1.943 -17.103 6.360 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -1.562 -18.790 6.077 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -4.284 -18.442 7.105 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -4.017 -17.526 5.635 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -4.512 -18.569 3.813 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -4.405 -20.315 3.567 1.00 0.00 H new ATOM 658 N LYS A 44 0.359 -18.913 8.425 1.00 0.00 N ATOM 659 CA LYS A 44 1.489 -19.812 8.632 1.00 0.00 C ATOM 660 C LYS A 44 1.438 -20.439 10.021 1.00 0.00 C ATOM 661 O LYS A 44 1.784 -21.607 10.198 1.00 0.00 O ATOM 662 CB LYS A 44 2.807 -19.057 8.449 1.00 0.00 C ATOM 663 CG LYS A 44 3.136 -18.749 6.998 1.00 0.00 C ATOM 664 CD LYS A 44 4.081 -19.782 6.409 1.00 0.00 C ATOM 665 CE LYS A 44 3.325 -20.848 5.629 1.00 0.00 C ATOM 666 NZ LYS A 44 3.906 -21.061 4.275 1.00 0.00 N ATOM 0 H LYS A 44 0.613 -17.928 8.346 1.00 0.00 H new ATOM 0 HA LYS A 44 1.428 -20.609 7.891 1.00 0.00 H new ATOM 0 HB2 LYS A 44 2.761 -18.123 9.009 1.00 0.00 H new ATOM 0 HB3 LYS A 44 3.617 -19.647 8.879 1.00 0.00 H new ATOM 0 HG2 LYS A 44 2.216 -18.721 6.414 1.00 0.00 H new ATOM 0 HG3 LYS A 44 3.588 -17.760 6.929 1.00 0.00 H new ATOM 0 HD2 LYS A 44 4.798 -19.289 5.752 1.00 0.00 H new ATOM 0 HD3 LYS A 44 4.653 -20.252 7.209 1.00 0.00 H new ATOM 0 HE2 LYS A 44 3.344 -21.786 6.184 1.00 0.00 H new ATOM 0 HE3 LYS A 44 2.279 -20.555 5.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 3.363 -21.794 3.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 3.865 -20.173 3.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 4.896 -21.365 4.366 1.00 0.00 H new ATOM 680 N ARG A 45 1.003 -19.656 11.003 1.00 0.00 N ATOM 681 CA ARG A 45 0.907 -20.136 12.377 1.00 0.00 C ATOM 682 C ARG A 45 -0.530 -20.518 12.720 1.00 0.00 C ATOM 683 O ARG A 45 -0.932 -20.485 13.883 1.00 0.00 O ATOM 684 CB ARG A 45 1.407 -19.066 13.349 1.00 0.00 C ATOM 685 CG ARG A 45 2.922 -18.947 13.398 1.00 0.00 C ATOM 686 CD ARG A 45 3.382 -18.180 14.627 1.00 0.00 C ATOM 687 NE ARG A 45 4.495 -17.283 14.329 1.00 0.00 N ATOM 688 CZ ARG A 45 4.958 -16.377 15.182 1.00 0.00 C ATOM 689 NH1 ARG A 45 4.406 -16.247 16.381 1.00 0.00 N ATOM 690 NH2 ARG A 45 5.975 -15.597 14.837 1.00 0.00 N ATOM 0 H ARG A 45 0.712 -18.687 10.873 1.00 0.00 H new ATOM 0 HA ARG A 45 1.533 -21.023 12.470 1.00 0.00 H new ATOM 0 HB2 ARG A 45 0.984 -18.102 13.064 1.00 0.00 H new ATOM 0 HB3 ARG A 45 1.036 -19.294 14.349 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.366 -19.942 13.402 1.00 0.00 H new ATOM 0 HG3 ARG A 45 3.278 -18.443 12.499 1.00 0.00 H new ATOM 0 HD2 ARG A 45 2.548 -17.603 15.027 1.00 0.00 H new ATOM 0 HD3 ARG A 45 3.682 -18.885 15.402 1.00 0.00 H new ATOM 0 HE ARG A 45 4.942 -17.357 13.415 1.00 0.00 H new ATOM 0 HH11 ARG A 45 3.624 -16.844 16.650 1.00 0.00 H new ATOM 0 HH12 ARG A 45 4.764 -15.550 17.034 1.00 0.00 H new ATOM 0 HH21 ARG A 45 6.402 -15.693 13.916 1.00 0.00 H new ATOM 0 HH22 ARG A 45 6.330 -14.901 15.493 1.00 0.00 H new ATOM 704 N LYS A 46 -1.300 -20.880 11.699 1.00 0.00 N ATOM 705 CA LYS A 46 -2.692 -21.270 11.891 1.00 0.00 C ATOM 706 C LYS A 46 -3.453 -20.203 12.671 1.00 0.00 C ATOM 707 O LYS A 46 -4.263 -20.516 13.544 1.00 0.00 O ATOM 708 CB LYS A 46 -2.771 -22.609 12.627 1.00 0.00 C ATOM 709 CG LYS A 46 -2.467 -23.807 11.745 1.00 0.00 C ATOM 710 CD LYS A 46 -3.317 -25.009 12.123 1.00 0.00 C ATOM 711 CE LYS A 46 -3.667 -25.850 10.905 1.00 0.00 C ATOM 712 NZ LYS A 46 -4.818 -25.282 10.151 1.00 0.00 N ATOM 0 H LYS A 46 -0.983 -20.911 10.730 1.00 0.00 H new ATOM 0 HA LYS A 46 -3.153 -21.375 10.909 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.071 -22.597 13.462 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.769 -22.723 13.049 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.647 -23.547 10.702 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -1.412 -24.065 11.832 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -2.781 -25.622 12.847 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -4.233 -24.670 12.608 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -2.800 -25.916 10.248 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -3.906 -26.865 11.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -5.025 -25.884 9.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -5.653 -25.242 10.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -4.581 -24.323 9.827 1.00 0.00 H new ATOM 726 N LYS A 47 -3.188 -18.941 12.351 1.00 0.00 N ATOM 727 CA LYS A 47 -3.850 -17.827 13.020 1.00 0.00 C ATOM 728 C LYS A 47 -4.780 -17.091 12.060 1.00 0.00 C ATOM 729 O LYS A 47 -4.922 -17.476 10.899 1.00 0.00 O ATOM 730 CB LYS A 47 -2.811 -16.855 13.586 1.00 0.00 C ATOM 731 CG LYS A 47 -2.683 -16.914 15.098 1.00 0.00 C ATOM 732 CD LYS A 47 -1.559 -16.023 15.598 1.00 0.00 C ATOM 733 CE LYS A 47 -0.511 -16.820 16.359 1.00 0.00 C ATOM 734 NZ LYS A 47 0.526 -15.939 16.962 1.00 0.00 N ATOM 0 H LYS A 47 -2.519 -18.664 11.632 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.446 -18.230 13.839 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.841 -17.072 13.139 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.077 -15.840 13.292 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.623 -16.606 15.556 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.499 -17.942 15.408 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.091 -15.518 14.753 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.969 -15.248 16.245 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.996 -17.400 17.144 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.035 -17.532 15.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 1.222 -16.520 17.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 1.006 -15.404 16.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 0.076 -15.277 17.625 1.00 0.00 H new ATOM 748 N LYS A 48 -5.410 -16.030 12.552 1.00 0.00 N ATOM 749 CA LYS A 48 -6.324 -15.238 11.737 1.00 0.00 C ATOM 750 C LYS A 48 -5.921 -13.767 11.741 1.00 0.00 C ATOM 751 O LYS A 48 -5.155 -13.326 12.597 1.00 0.00 O ATOM 752 CB LYS A 48 -7.758 -15.386 12.253 1.00 0.00 C ATOM 753 CG LYS A 48 -8.025 -14.618 13.536 1.00 0.00 C ATOM 754 CD LYS A 48 -8.869 -15.429 14.505 1.00 0.00 C ATOM 755 CE LYS A 48 -8.039 -16.488 15.215 1.00 0.00 C ATOM 756 NZ LYS A 48 -8.894 -17.529 15.851 1.00 0.00 N ATOM 0 H LYS A 48 -5.305 -15.699 13.511 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.272 -15.608 10.713 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.449 -15.043 11.483 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.967 -16.442 12.421 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.078 -14.356 14.008 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.534 -13.683 13.302 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.319 -14.764 15.242 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -9.686 -15.907 13.965 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.364 -16.959 14.501 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.418 -16.014 15.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.291 -18.232 16.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.521 -17.083 16.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.468 -18.000 15.122 1.00 0.00 H new ATOM 770 N ALA A 49 -6.444 -13.012 10.781 1.00 0.00 N ATOM 771 CA ALA A 49 -6.141 -11.590 10.676 1.00 0.00 C ATOM 772 C ALA A 49 -7.174 -10.752 11.423 1.00 0.00 C ATOM 773 O ALA A 49 -8.329 -10.658 11.007 1.00 0.00 O ATOM 774 CB ALA A 49 -6.075 -11.170 9.215 1.00 0.00 C ATOM 0 H ALA A 49 -7.080 -13.362 10.064 1.00 0.00 H new ATOM 0 HA ALA A 49 -5.168 -11.416 11.136 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.848 -10.106 9.152 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -5.295 -11.738 8.708 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.035 -11.365 8.737 1.00 0.00 H new ATOM 780 N TYR A 50 -6.751 -10.147 12.527 1.00 0.00 N ATOM 781 CA TYR A 50 -7.641 -9.319 13.333 1.00 0.00 C ATOM 782 C TYR A 50 -7.251 -7.847 13.237 1.00 0.00 C ATOM 783 O TYR A 50 -6.108 -7.514 12.925 1.00 0.00 O ATOM 784 CB TYR A 50 -7.609 -9.773 14.793 1.00 0.00 C ATOM 785 CG TYR A 50 -6.214 -10.023 15.320 1.00 0.00 C ATOM 786 CD1 TYR A 50 -5.612 -11.268 15.185 1.00 0.00 C ATOM 787 CD2 TYR A 50 -5.497 -9.013 15.951 1.00 0.00 C ATOM 788 CE1 TYR A 50 -4.337 -11.501 15.665 1.00 0.00 C ATOM 789 CE2 TYR A 50 -4.222 -9.237 16.433 1.00 0.00 C ATOM 790 CZ TYR A 50 -3.647 -10.482 16.288 1.00 0.00 C ATOM 791 OH TYR A 50 -2.377 -10.709 16.767 1.00 0.00 O ATOM 0 H TYR A 50 -5.798 -10.214 12.884 1.00 0.00 H new ATOM 0 HA TYR A 50 -8.653 -9.433 12.946 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -8.091 -9.015 15.411 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -8.195 -10.686 14.893 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -6.150 -12.067 14.697 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -5.944 -8.037 16.066 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -3.884 -12.475 15.553 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -3.678 -8.441 16.921 1.00 0.00 H new ATOM 0 HH TYR A 50 -2.030 -9.889 17.176 1.00 0.00 H new ATOM 801 N CYS A 51 -8.211 -6.969 13.509 1.00 0.00 N ATOM 802 CA CYS A 51 -7.971 -5.533 13.455 1.00 0.00 C ATOM 803 C CYS A 51 -6.737 -5.156 14.269 1.00 0.00 C ATOM 804 O CYS A 51 -6.765 -5.105 15.499 1.00 0.00 O ATOM 805 CB CYS A 51 -9.191 -4.771 13.976 1.00 0.00 C ATOM 806 SG CYS A 51 -10.193 -3.988 12.671 1.00 0.00 S ATOM 0 H CYS A 51 -9.163 -7.228 13.769 1.00 0.00 H new ATOM 0 HA CYS A 51 -7.796 -5.258 12.415 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -9.822 -5.458 14.540 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -8.856 -4.002 14.672 1.00 0.00 H new ATOM 0 HG CYS A 51 -9.409 -3.504 11.754 1.00 0.00 H new ATOM 811 N PRO A 52 -5.626 -4.885 13.568 1.00 0.00 N ATOM 812 CA PRO A 52 -4.360 -4.507 14.204 1.00 0.00 C ATOM 813 C PRO A 52 -4.419 -3.120 14.833 1.00 0.00 C ATOM 814 O PRO A 52 -3.523 -2.729 15.580 1.00 0.00 O ATOM 815 CB PRO A 52 -3.361 -4.527 13.045 1.00 0.00 C ATOM 816 CG PRO A 52 -4.187 -4.285 11.828 1.00 0.00 C ATOM 817 CD PRO A 52 -5.520 -4.926 12.099 1.00 0.00 C ATOM 0 HA PRO A 52 -4.098 -5.178 15.022 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -2.599 -3.757 13.166 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -2.841 -5.483 12.987 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -4.299 -3.218 11.638 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -3.718 -4.719 10.945 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -6.333 -4.379 11.622 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -5.559 -5.948 11.722 1.00 0.00 H new ATOM 825 N GLN A 53 -5.480 -2.380 14.526 1.00 0.00 N ATOM 826 CA GLN A 53 -5.654 -1.035 15.062 1.00 0.00 C ATOM 827 C GLN A 53 -5.925 -1.078 16.562 1.00 0.00 C ATOM 828 O GLN A 53 -7.031 -1.404 16.994 1.00 0.00 O ATOM 829 CB GLN A 53 -6.802 -0.323 14.345 1.00 0.00 C ATOM 830 CG GLN A 53 -6.944 1.141 14.729 1.00 0.00 C ATOM 831 CD GLN A 53 -5.609 1.853 14.818 1.00 0.00 C ATOM 832 OE1 GLN A 53 -5.098 2.105 15.910 1.00 0.00 O ATOM 833 NE2 GLN A 53 -5.035 2.183 13.667 1.00 0.00 N ATOM 0 H GLN A 53 -6.231 -2.689 13.909 1.00 0.00 H new ATOM 0 HA GLN A 53 -4.730 -0.481 14.894 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -6.647 -0.394 13.268 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -7.735 -0.841 14.568 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.572 1.646 13.995 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -7.455 1.213 15.689 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -5.493 1.955 12.785 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -4.136 2.664 13.665 1.00 0.00 H new ATOM 842 N ILE A 54 -4.908 -0.748 17.351 1.00 0.00 N ATOM 843 CA ILE A 54 -5.038 -0.749 18.803 1.00 0.00 C ATOM 844 C ILE A 54 -6.252 0.059 19.247 1.00 0.00 C ATOM 845 O ILE A 54 -6.261 1.286 19.158 1.00 0.00 O ATOM 846 CB ILE A 54 -3.778 -0.176 19.481 1.00 0.00 C ATOM 847 CG1 ILE A 54 -2.531 -0.922 19.001 1.00 0.00 C ATOM 848 CG2 ILE A 54 -3.905 -0.263 20.994 1.00 0.00 C ATOM 849 CD1 ILE A 54 -1.505 -0.024 18.347 1.00 0.00 C ATOM 0 H ILE A 54 -3.986 -0.477 17.010 1.00 0.00 H new ATOM 0 HA ILE A 54 -5.165 -1.788 19.108 1.00 0.00 H new ATOM 0 HB ILE A 54 -3.679 0.874 19.205 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.071 -1.428 19.850 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.830 -1.695 18.293 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -3.008 0.145 21.459 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -4.774 0.308 21.320 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -4.024 -1.305 21.290 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -0.648 -0.620 18.032 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.948 0.463 17.478 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.178 0.733 19.059 1.00 0.00 H new ATOM 861 N GLY A 55 -7.277 -0.638 19.729 1.00 0.00 N ATOM 862 CA GLY A 55 -8.482 0.031 20.182 1.00 0.00 C ATOM 863 C GLY A 55 -9.740 -0.581 19.596 1.00 0.00 C ATOM 864 O GLY A 55 -10.836 -0.389 20.124 1.00 0.00 O ATOM 0 H GLY A 55 -7.294 -1.654 19.814 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -8.532 -0.015 21.270 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -8.433 1.085 19.909 1.00 0.00 H new ATOM 868 N CYS A 56 -9.583 -1.318 18.502 1.00 0.00 N ATOM 869 CA CYS A 56 -10.714 -1.958 17.842 1.00 0.00 C ATOM 870 C CYS A 56 -11.036 -3.300 18.493 1.00 0.00 C ATOM 871 O CYS A 56 -10.165 -3.940 19.082 1.00 0.00 O ATOM 872 CB CYS A 56 -10.417 -2.158 16.354 1.00 0.00 C ATOM 873 SG CYS A 56 -11.891 -2.092 15.286 1.00 0.00 S ATOM 0 H CYS A 56 -8.683 -1.487 18.053 1.00 0.00 H new ATOM 0 HA CYS A 56 -11.581 -1.306 17.948 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -9.712 -1.393 16.029 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -9.926 -3.122 16.219 1.00 0.00 H new ATOM 0 HG CYS A 56 -11.640 -2.694 14.162 1.00 0.00 H new ATOM 878 N SER A 57 -12.292 -3.719 18.382 1.00 0.00 N ATOM 879 CA SER A 57 -12.730 -4.983 18.963 1.00 0.00 C ATOM 880 C SER A 57 -12.829 -6.067 17.894 1.00 0.00 C ATOM 881 O SER A 57 -12.722 -7.258 18.189 1.00 0.00 O ATOM 882 CB SER A 57 -14.084 -4.809 19.655 1.00 0.00 C ATOM 883 OG SER A 57 -14.049 -5.316 20.977 1.00 0.00 O ATOM 0 H SER A 57 -13.024 -3.202 17.895 1.00 0.00 H new ATOM 0 HA SER A 57 -11.989 -5.291 19.701 1.00 0.00 H new ATOM 0 HB2 SER A 57 -14.353 -3.753 19.674 1.00 0.00 H new ATOM 0 HB3 SER A 57 -14.857 -5.325 19.085 1.00 0.00 H new ATOM 0 HG SER A 57 -14.925 -5.192 21.398 1.00 0.00 H new ATOM 889 N HIS A 58 -13.033 -5.646 16.649 1.00 0.00 N ATOM 890 CA HIS A 58 -13.145 -6.580 15.535 1.00 0.00 C ATOM 891 C HIS A 58 -11.930 -7.500 15.473 1.00 0.00 C ATOM 892 O HIS A 58 -10.848 -7.151 15.945 1.00 0.00 O ATOM 893 CB HIS A 58 -13.291 -5.818 14.217 1.00 0.00 C ATOM 894 CG HIS A 58 -13.889 -6.638 13.115 1.00 0.00 C ATOM 895 ND1 HIS A 58 -15.141 -7.210 13.196 1.00 0.00 N ATOM 896 CD2 HIS A 58 -13.399 -6.979 11.900 1.00 0.00 C ATOM 897 CE1 HIS A 58 -15.395 -7.868 12.079 1.00 0.00 C ATOM 898 NE2 HIS A 58 -14.354 -7.744 11.276 1.00 0.00 N ATOM 0 H HIS A 58 -13.124 -4.664 16.387 1.00 0.00 H new ATOM 0 HA HIS A 58 -14.033 -7.192 15.693 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -13.912 -4.938 14.382 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -12.310 -5.461 13.902 1.00 0.00 H new ATOM 0 HD1 HIS A 58 -15.772 -7.137 13.994 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -12.436 -6.701 11.496 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -16.300 -8.415 11.860 1.00 0.00 H new ATOM 906 N THR A 59 -12.116 -8.679 14.887 1.00 0.00 N ATOM 907 CA THR A 59 -11.037 -9.651 14.765 1.00 0.00 C ATOM 908 C THR A 59 -11.256 -10.569 13.568 1.00 0.00 C ATOM 909 O THR A 59 -10.904 -11.748 13.605 1.00 0.00 O ATOM 910 CB THR A 59 -10.906 -10.508 16.038 1.00 0.00 C ATOM 911 OG1 THR A 59 -12.197 -10.962 16.458 1.00 0.00 O ATOM 912 CG2 THR A 59 -10.252 -9.716 17.160 1.00 0.00 C ATOM 0 H THR A 59 -13.005 -8.984 14.489 1.00 0.00 H new ATOM 0 HA THR A 59 -10.117 -9.085 14.621 1.00 0.00 H new ATOM 0 HB THR A 59 -10.276 -11.367 15.807 1.00 0.00 H new ATOM 0 HG1 THR A 59 -12.105 -11.508 17.267 1.00 0.00 H new ATOM 0 HG21 THR A 59 -10.171 -10.343 18.048 1.00 0.00 H new ATOM 0 HG22 THR A 59 -9.257 -9.397 16.848 1.00 0.00 H new ATOM 0 HG23 THR A 59 -10.859 -8.840 17.389 1.00 0.00 H new ATOM 920 N ASP A 60 -11.839 -10.021 12.507 1.00 0.00 N ATOM 921 CA ASP A 60 -12.103 -10.791 11.297 1.00 0.00 C ATOM 922 C ASP A 60 -11.782 -9.972 10.051 1.00 0.00 C ATOM 923 O ASP A 60 -12.579 -9.137 9.622 1.00 0.00 O ATOM 924 CB ASP A 60 -13.565 -11.242 11.263 1.00 0.00 C ATOM 925 CG ASP A 60 -13.714 -12.690 10.841 1.00 0.00 C ATOM 926 OD1 ASP A 60 -13.092 -13.081 9.831 1.00 0.00 O ATOM 927 OD2 ASP A 60 -14.452 -13.433 11.521 1.00 0.00 O ATOM 0 H ASP A 60 -12.138 -9.047 12.461 1.00 0.00 H new ATOM 0 HA ASP A 60 -11.459 -11.670 11.308 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -14.007 -11.107 12.250 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -14.122 -10.607 10.575 1.00 0.00 H new ATOM 932 N ILE A 61 -10.609 -10.216 9.476 1.00 0.00 N ATOM 933 CA ILE A 61 -10.183 -9.501 8.279 1.00 0.00 C ATOM 934 C ILE A 61 -9.781 -10.471 7.173 1.00 0.00 C ATOM 935 O ILE A 61 -9.031 -11.419 7.407 1.00 0.00 O ATOM 936 CB ILE A 61 -8.999 -8.561 8.577 1.00 0.00 C ATOM 937 CG1 ILE A 61 -9.375 -7.565 9.676 1.00 0.00 C ATOM 938 CG2 ILE A 61 -8.574 -7.828 7.313 1.00 0.00 C ATOM 939 CD1 ILE A 61 -8.211 -6.727 10.155 1.00 0.00 C ATOM 0 H ILE A 61 -9.937 -10.903 9.819 1.00 0.00 H new ATOM 0 HA ILE A 61 -11.034 -8.907 7.946 1.00 0.00 H new ATOM 0 HB ILE A 61 -8.158 -9.159 8.927 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -10.159 -6.905 9.304 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -9.792 -8.111 10.522 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -7.737 -7.168 7.539 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -8.271 -8.552 6.557 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -9.410 -7.238 6.936 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -8.551 -6.044 10.933 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -7.435 -7.378 10.557 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -7.807 -6.154 9.320 1.00 0.00 H new ATOM 951 N ARG A 62 -10.284 -10.226 5.968 1.00 0.00 N ATOM 952 CA ARG A 62 -9.977 -11.078 4.825 1.00 0.00 C ATOM 953 C ARG A 62 -9.380 -10.261 3.682 1.00 0.00 C ATOM 954 O ARG A 62 -9.817 -9.142 3.410 1.00 0.00 O ATOM 955 CB ARG A 62 -11.238 -11.799 4.345 1.00 0.00 C ATOM 956 CG ARG A 62 -11.294 -13.263 4.750 1.00 0.00 C ATOM 957 CD ARG A 62 -12.506 -13.960 4.152 1.00 0.00 C ATOM 958 NE ARG A 62 -12.349 -14.199 2.720 1.00 0.00 N ATOM 959 CZ ARG A 62 -13.216 -14.891 1.990 1.00 0.00 C ATOM 960 NH1 ARG A 62 -14.298 -15.410 2.556 1.00 0.00 N ATOM 961 NH2 ARG A 62 -13.004 -15.065 0.692 1.00 0.00 N ATOM 0 H ARG A 62 -10.906 -9.445 5.758 1.00 0.00 H new ATOM 0 HA ARG A 62 -9.242 -11.818 5.143 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -12.113 -11.287 4.744 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -11.295 -11.729 3.259 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -10.385 -13.767 4.423 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -11.328 -13.340 5.837 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -12.666 -14.910 4.662 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -13.395 -13.352 4.323 1.00 0.00 H new ATOM 0 HE ARG A 62 -11.528 -13.813 2.255 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -14.465 -15.278 3.554 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -14.963 -15.941 1.994 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -12.174 -14.667 0.253 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -13.671 -15.597 0.133 1.00 0.00 H new ATOM 975 N LYS A 63 -8.379 -10.827 3.017 1.00 0.00 N ATOM 976 CA LYS A 63 -7.722 -10.152 1.904 1.00 0.00 C ATOM 977 C LYS A 63 -8.733 -9.760 0.832 1.00 0.00 C ATOM 978 O LYS A 63 -8.512 -8.818 0.071 1.00 0.00 O ATOM 979 CB LYS A 63 -6.645 -11.055 1.298 1.00 0.00 C ATOM 980 CG LYS A 63 -5.472 -10.291 0.707 1.00 0.00 C ATOM 981 CD LYS A 63 -4.861 -11.031 -0.471 1.00 0.00 C ATOM 982 CE LYS A 63 -3.776 -11.996 -0.020 1.00 0.00 C ATOM 983 NZ LYS A 63 -4.217 -13.415 -0.123 1.00 0.00 N ATOM 0 H LYS A 63 -8.005 -11.752 3.229 1.00 0.00 H new ATOM 0 HA LYS A 63 -7.255 -9.245 2.287 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.276 -11.733 2.068 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.095 -11.672 0.520 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.805 -9.304 0.385 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -4.713 -10.137 1.474 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.640 -11.579 -1.001 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.441 -10.313 -1.175 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.883 -11.848 -0.628 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.500 -11.776 1.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.449 -14.041 0.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.054 -13.563 0.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.456 -13.633 -1.111 1.00 0.00 H new ATOM 997 N SER A 64 -9.844 -10.488 0.778 1.00 0.00 N ATOM 998 CA SER A 64 -10.889 -10.218 -0.203 1.00 0.00 C ATOM 999 C SER A 64 -11.632 -8.930 0.137 1.00 0.00 C ATOM 1000 O SER A 64 -12.207 -8.282 -0.739 1.00 0.00 O ATOM 1001 CB SER A 64 -11.873 -11.387 -0.267 1.00 0.00 C ATOM 1002 OG SER A 64 -11.595 -12.229 -1.372 1.00 0.00 O ATOM 0 H SER A 64 -10.044 -11.270 1.402 1.00 0.00 H new ATOM 0 HA SER A 64 -10.416 -10.098 -1.178 1.00 0.00 H new ATOM 0 HB2 SER A 64 -11.818 -11.964 0.656 1.00 0.00 H new ATOM 0 HB3 SER A 64 -12.891 -11.005 -0.344 1.00 0.00 H new ATOM 0 HG SER A 64 -12.237 -12.969 -1.389 1.00 0.00 H new ATOM 1008 N ASP A 65 -11.616 -8.564 1.414 1.00 0.00 N ATOM 1009 CA ASP A 65 -12.288 -7.353 1.871 1.00 0.00 C ATOM 1010 C ASP A 65 -11.311 -6.183 1.939 1.00 0.00 C ATOM 1011 O ASP A 65 -11.522 -5.227 2.687 1.00 0.00 O ATOM 1012 CB ASP A 65 -12.924 -7.583 3.242 1.00 0.00 C ATOM 1013 CG ASP A 65 -14.326 -8.152 3.142 1.00 0.00 C ATOM 1014 OD1 ASP A 65 -15.103 -7.669 2.292 1.00 0.00 O ATOM 1015 OD2 ASP A 65 -14.645 -9.080 3.914 1.00 0.00 O ATOM 0 H ASP A 65 -11.145 -9.089 2.151 1.00 0.00 H new ATOM 0 HA ASP A 65 -13.071 -7.108 1.153 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -12.299 -8.264 3.820 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -12.956 -6.640 3.787 1.00 0.00 H new ATOM 1020 N LEU A 66 -10.242 -6.265 1.155 1.00 0.00 N ATOM 1021 CA LEU A 66 -9.231 -5.213 1.127 1.00 0.00 C ATOM 1022 C LEU A 66 -9.333 -4.394 -0.155 1.00 0.00 C ATOM 1023 O LEU A 66 -9.281 -4.940 -1.258 1.00 0.00 O ATOM 1024 CB LEU A 66 -7.832 -5.820 1.249 1.00 0.00 C ATOM 1025 CG LEU A 66 -7.465 -6.393 2.619 1.00 0.00 C ATOM 1026 CD1 LEU A 66 -6.059 -6.970 2.597 1.00 0.00 C ATOM 1027 CD2 LEU A 66 -7.588 -5.323 3.694 1.00 0.00 C ATOM 0 H LEU A 66 -10.052 -7.049 0.530 1.00 0.00 H new ATOM 0 HA LEU A 66 -9.408 -4.550 1.974 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -7.736 -6.614 0.508 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -7.101 -5.053 0.991 1.00 0.00 H new ATOM 0 HG LEU A 66 -8.162 -7.198 2.854 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -5.816 -7.373 3.580 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -6.004 -7.766 1.855 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -5.348 -6.185 2.340 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -7.323 -5.748 4.662 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -6.915 -4.497 3.464 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -8.614 -4.957 3.727 1.00 0.00 H new ATOM 1039 N ILE A 67 -9.475 -3.082 -0.003 1.00 0.00 N ATOM 1040 CA ILE A 67 -9.580 -2.188 -1.149 1.00 0.00 C ATOM 1041 C ILE A 67 -8.571 -1.048 -1.052 1.00 0.00 C ATOM 1042 O ILE A 67 -8.040 -0.767 0.022 1.00 0.00 O ATOM 1043 CB ILE A 67 -10.996 -1.595 -1.273 1.00 0.00 C ATOM 1044 CG1 ILE A 67 -11.445 -1.007 0.066 1.00 0.00 C ATOM 1045 CG2 ILE A 67 -11.976 -2.658 -1.747 1.00 0.00 C ATOM 1046 CD1 ILE A 67 -12.698 -0.165 -0.033 1.00 0.00 C ATOM 0 H ILE A 67 -9.520 -2.615 0.902 1.00 0.00 H new ATOM 0 HA ILE A 67 -9.366 -2.786 -2.035 1.00 0.00 H new ATOM 0 HB ILE A 67 -10.975 -0.794 -2.011 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -11.618 -1.820 0.771 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -10.639 -0.398 0.474 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -12.972 -2.223 -1.830 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -11.662 -3.034 -2.721 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -11.997 -3.479 -1.031 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -12.957 0.219 0.954 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -12.523 0.669 -0.713 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -13.518 -0.776 -0.412 1.00 0.00 H new ATOM 1058 N GLN A 68 -8.312 -0.396 -2.181 1.00 0.00 N ATOM 1059 CA GLN A 68 -7.368 0.714 -2.222 1.00 0.00 C ATOM 1060 C GLN A 68 -8.080 2.044 -1.997 1.00 0.00 C ATOM 1061 O GLN A 68 -8.956 2.428 -2.771 1.00 0.00 O ATOM 1062 CB GLN A 68 -6.633 0.736 -3.564 1.00 0.00 C ATOM 1063 CG GLN A 68 -6.106 -0.624 -3.991 1.00 0.00 C ATOM 1064 CD GLN A 68 -5.136 -0.535 -5.153 1.00 0.00 C ATOM 1065 OE1 GLN A 68 -5.417 0.109 -6.164 1.00 0.00 O ATOM 1066 NE2 GLN A 68 -3.985 -1.184 -5.014 1.00 0.00 N ATOM 0 H GLN A 68 -8.743 -0.617 -3.079 1.00 0.00 H new ATOM 0 HA GLN A 68 -6.643 0.571 -1.420 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -7.308 1.112 -4.332 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -5.800 1.436 -3.501 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -5.611 -1.100 -3.145 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -6.944 -1.263 -4.270 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -3.794 -1.706 -4.159 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -3.293 -1.161 -5.763 1.00 0.00 H new ATOM 1075 N ASP A 69 -7.698 2.741 -0.933 1.00 0.00 N ATOM 1076 CA ASP A 69 -8.300 4.028 -0.606 1.00 0.00 C ATOM 1077 C ASP A 69 -7.627 5.155 -1.384 1.00 0.00 C ATOM 1078 O ASP A 69 -6.486 5.520 -1.104 1.00 0.00 O ATOM 1079 CB ASP A 69 -8.197 4.297 0.896 1.00 0.00 C ATOM 1080 CG ASP A 69 -9.194 5.337 1.368 1.00 0.00 C ATOM 1081 OD1 ASP A 69 -9.430 6.313 0.625 1.00 0.00 O ATOM 1082 OD2 ASP A 69 -9.738 5.174 2.480 1.00 0.00 O ATOM 0 H ASP A 69 -6.974 2.436 -0.282 1.00 0.00 H new ATOM 0 HA ASP A 69 -9.352 3.992 -0.889 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -8.361 3.367 1.441 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -7.187 4.632 1.134 1.00 0.00 H new ATOM 1087 N GLU A 70 -8.343 5.702 -2.361 1.00 0.00 N ATOM 1088 CA GLU A 70 -7.814 6.786 -3.180 1.00 0.00 C ATOM 1089 C GLU A 70 -7.731 8.082 -2.379 1.00 0.00 C ATOM 1090 O GLU A 70 -6.712 8.772 -2.399 1.00 0.00 O ATOM 1091 CB GLU A 70 -8.690 6.994 -4.418 1.00 0.00 C ATOM 1092 CG GLU A 70 -7.919 6.932 -5.726 1.00 0.00 C ATOM 1093 CD GLU A 70 -8.522 5.949 -6.711 1.00 0.00 C ATOM 1094 OE1 GLU A 70 -8.888 4.833 -6.288 1.00 0.00 O ATOM 1095 OE2 GLU A 70 -8.626 6.297 -7.906 1.00 0.00 O ATOM 0 H GLU A 70 -9.290 5.413 -2.605 1.00 0.00 H new ATOM 0 HA GLU A 70 -6.808 6.510 -3.497 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -9.472 6.235 -4.431 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -9.186 7.962 -4.344 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.895 7.924 -6.177 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.886 6.649 -5.522 1.00 0.00 H new ATOM 1102 N ALA A 71 -8.810 8.406 -1.675 1.00 0.00 N ATOM 1103 CA ALA A 71 -8.859 9.618 -0.866 1.00 0.00 C ATOM 1104 C ALA A 71 -7.708 9.658 0.134 1.00 0.00 C ATOM 1105 O ALA A 71 -7.286 10.730 0.568 1.00 0.00 O ATOM 1106 CB ALA A 71 -10.194 9.715 -0.142 1.00 0.00 C ATOM 0 H ALA A 71 -9.662 7.846 -1.648 1.00 0.00 H new ATOM 0 HA ALA A 71 -8.756 10.475 -1.532 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -10.217 10.624 0.458 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -11.003 9.742 -0.872 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -10.320 8.848 0.507 1.00 0.00 H new ATOM 1112 N LEU A 72 -7.205 8.483 0.496 1.00 0.00 N ATOM 1113 CA LEU A 72 -6.103 8.383 1.446 1.00 0.00 C ATOM 1114 C LEU A 72 -4.759 8.405 0.725 1.00 0.00 C ATOM 1115 O LEU A 72 -3.810 9.046 1.179 1.00 0.00 O ATOM 1116 CB LEU A 72 -6.230 7.102 2.272 1.00 0.00 C ATOM 1117 CG LEU A 72 -5.482 7.086 3.606 1.00 0.00 C ATOM 1118 CD1 LEU A 72 -5.964 8.217 4.502 1.00 0.00 C ATOM 1119 CD2 LEU A 72 -5.655 5.743 4.299 1.00 0.00 C ATOM 0 H LEU A 72 -7.543 7.586 0.146 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.151 9.244 2.113 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.287 6.924 2.469 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.873 6.267 1.668 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.421 7.235 3.407 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -5.421 8.190 5.447 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -5.787 9.173 4.009 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.031 8.100 4.694 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -5.116 5.750 5.246 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.714 5.563 4.485 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -5.259 4.952 3.663 1.00 0.00 H new ATOM 1131 N ARG A 73 -4.686 7.704 -0.401 1.00 0.00 N ATOM 1132 CA ARG A 73 -3.458 7.643 -1.186 1.00 0.00 C ATOM 1133 C ARG A 73 -2.993 9.043 -1.576 1.00 0.00 C ATOM 1134 O ARG A 73 -1.860 9.433 -1.293 1.00 0.00 O ATOM 1135 CB ARG A 73 -3.672 6.797 -2.442 1.00 0.00 C ATOM 1136 CG ARG A 73 -2.914 5.480 -2.425 1.00 0.00 C ATOM 1137 CD ARG A 73 -2.185 5.239 -3.738 1.00 0.00 C ATOM 1138 NE ARG A 73 -3.044 5.485 -4.894 1.00 0.00 N ATOM 1139 CZ ARG A 73 -3.942 4.614 -5.340 1.00 0.00 C ATOM 1140 NH1 ARG A 73 -4.100 3.447 -4.731 1.00 0.00 N ATOM 1141 NH2 ARG A 73 -4.686 4.910 -6.398 1.00 0.00 N ATOM 0 H ARG A 73 -5.463 7.170 -0.791 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.686 7.180 -0.572 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -4.737 6.592 -2.555 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -3.364 7.373 -3.315 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -2.196 5.483 -1.604 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -3.609 4.661 -2.238 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -1.311 5.888 -3.792 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -1.822 4.212 -3.768 1.00 0.00 H new ATOM 0 HE ARG A 73 -2.949 6.374 -5.385 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -3.531 3.215 -3.917 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -4.791 2.781 -5.077 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -4.568 5.807 -6.869 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -5.375 4.241 -6.740 1.00 0.00 H new ATOM 1155 N ARG A 74 -3.875 9.795 -2.226 1.00 0.00 N ATOM 1156 CA ARG A 74 -3.555 11.151 -2.656 1.00 0.00 C ATOM 1157 C ARG A 74 -3.050 11.988 -1.484 1.00 0.00 C ATOM 1158 O ARG A 74 -2.230 12.888 -1.659 1.00 0.00 O ATOM 1159 CB ARG A 74 -4.784 11.815 -3.280 1.00 0.00 C ATOM 1160 CG ARG A 74 -5.253 11.146 -4.562 1.00 0.00 C ATOM 1161 CD ARG A 74 -6.721 11.432 -4.834 1.00 0.00 C ATOM 1162 NE ARG A 74 -6.938 11.946 -6.183 1.00 0.00 N ATOM 1163 CZ ARG A 74 -8.140 12.198 -6.689 1.00 0.00 C ATOM 1164 NH1 ARG A 74 -9.227 11.985 -5.962 1.00 0.00 N ATOM 1165 NH2 ARG A 74 -8.256 12.666 -7.926 1.00 0.00 N ATOM 0 H ARG A 74 -4.817 9.488 -2.467 1.00 0.00 H new ATOM 0 HA ARG A 74 -2.765 11.091 -3.404 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -5.599 11.805 -2.556 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -4.555 12.860 -3.488 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -4.651 11.499 -5.399 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -5.098 10.069 -4.490 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -7.300 10.518 -4.697 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -7.090 12.155 -4.107 1.00 0.00 H new ATOM 0 HE ARG A 74 -6.122 12.121 -6.769 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -9.142 11.627 -5.011 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -10.149 12.180 -6.353 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -7.422 12.832 -8.489 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -9.179 12.859 -8.314 1.00 0.00 H new ATOM 1179 N ALA A 75 -3.548 11.684 -0.290 1.00 0.00 N ATOM 1180 CA ALA A 75 -3.147 12.407 0.911 1.00 0.00 C ATOM 1181 C ALA A 75 -1.663 12.211 1.200 1.00 0.00 C ATOM 1182 O ALA A 75 -0.912 13.178 1.329 1.00 0.00 O ATOM 1183 CB ALA A 75 -3.983 11.959 2.101 1.00 0.00 C ATOM 0 H ALA A 75 -4.229 10.942 -0.128 1.00 0.00 H new ATOM 0 HA ALA A 75 -3.319 13.470 0.740 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -3.673 12.507 2.991 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.036 12.158 1.901 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -3.840 10.891 2.265 1.00 0.00 H new ATOM 1189 N ILE A 76 -1.246 10.953 1.302 1.00 0.00 N ATOM 1190 CA ILE A 76 0.148 10.631 1.576 1.00 0.00 C ATOM 1191 C ILE A 76 1.073 11.266 0.543 1.00 0.00 C ATOM 1192 O ILE A 76 2.180 11.695 0.868 1.00 0.00 O ATOM 1193 CB ILE A 76 0.382 9.108 1.590 1.00 0.00 C ATOM 1194 CG1 ILE A 76 -0.510 8.443 2.640 1.00 0.00 C ATOM 1195 CG2 ILE A 76 1.847 8.800 1.859 1.00 0.00 C ATOM 1196 CD1 ILE A 76 -0.487 6.931 2.582 1.00 0.00 C ATOM 0 H ILE A 76 -1.854 10.141 1.199 1.00 0.00 H new ATOM 0 HA ILE A 76 0.377 11.035 2.562 1.00 0.00 H new ATOM 0 HB ILE A 76 0.120 8.706 0.611 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.193 8.765 3.632 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -1.535 8.788 2.506 1.00 0.00 H new ATOM 0 HG21 ILE A 76 1.996 7.720 1.866 1.00 0.00 H new ATOM 0 HG22 ILE A 76 2.462 9.247 1.078 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.134 9.212 2.826 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.142 6.527 3.354 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.833 6.599 1.603 1.00 0.00 H new ATOM 0 HD13 ILE A 76 0.530 6.576 2.747 1.00 0.00 H new