USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 459 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 52 LYS NZ :NH3+ -141:sc= 0.859 (180deg=-0.0154) USER MOD Set 1.2: A 56 TYR OH : rot 30:sc= 0.998 USER MOD Set 2.1: A 12 LYS NZ :NH3+ 178:sc= 2.15 (180deg=1.1) USER MOD Set 2.2: A 15 TYR OH : rot -15:sc= 2.17 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 168:sc= 1.14 (180deg=1.1) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 179:sc= 1.66 (180deg=1.62) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 1.06 K(o=1.1,f=0) USER MOD Single : A 33 THR OG1 : rot 177:sc= 1.35 USER MOD Single : A 42 LYS NZ :NH3+ 173:sc= 1.09 (180deg=0.914) USER MOD Single : A 46 LYS NZ :NH3+ -143:sc= 1.28 (180deg=0.921) USER MOD Single : A 49 LYS NZ :NH3+ 178:sc= 1.01 (180deg=1.01) USER MOD Single : A 59 ASN : amide:sc= 1.18 K(o=1.2,f=-0.12) USER MOD Single : A 60 GLN : amide:sc= 1.21 K(o=1.2,f=0) USER MOD ----------------------------------------------------------------- ATOM 100 N ILE A 6 19.037 -49.663 2.202 1.00 0.00 N ATOM 101 CA ILE A 6 18.614 -50.045 0.832 1.00 0.00 C ATOM 102 C ILE A 6 18.918 -51.525 0.568 1.00 0.00 C ATOM 103 O ILE A 6 18.041 -52.256 0.099 1.00 0.00 O ATOM 104 CB ILE A 6 19.210 -49.202 -0.353 1.00 0.00 C ATOM 105 CG1 ILE A 6 18.861 -47.713 -0.255 1.00 0.00 C ATOM 106 CG2 ILE A 6 18.771 -49.702 -1.778 1.00 0.00 C ATOM 107 CD1 ILE A 6 19.894 -46.912 0.547 1.00 0.00 C ATOM 0 HA ILE A 6 17.545 -49.833 0.835 1.00 0.00 H new ATOM 0 HB ILE A 6 20.285 -49.344 -0.246 1.00 0.00 H new ATOM 0 HG12 ILE A 6 18.784 -47.296 -1.259 1.00 0.00 H new ATOM 0 HG13 ILE A 6 17.882 -47.604 0.211 1.00 0.00 H new ATOM 0 HG21 ILE A 6 19.224 -49.069 -2.541 1.00 0.00 H new ATOM 0 HG22 ILE A 6 19.099 -50.732 -1.919 1.00 0.00 H new ATOM 0 HG23 ILE A 6 17.685 -49.652 -1.863 1.00 0.00 H new ATOM 0 HD11 ILE A 6 19.594 -45.865 0.583 1.00 0.00 H new ATOM 0 HD12 ILE A 6 19.953 -47.307 1.561 1.00 0.00 H new ATOM 0 HD13 ILE A 6 20.870 -46.994 0.068 1.00 0.00 H new ATOM 119 N GLU A 7 20.144 -51.951 0.917 1.00 0.00 N ATOM 120 CA GLU A 7 20.582 -53.332 0.757 1.00 0.00 C ATOM 121 C GLU A 7 19.679 -54.329 1.492 1.00 0.00 C ATOM 122 O GLU A 7 19.278 -55.262 0.811 1.00 0.00 O ATOM 123 CB GLU A 7 22.073 -53.485 1.133 1.00 0.00 C ATOM 124 CG GLU A 7 22.994 -52.855 0.034 1.00 0.00 C ATOM 125 CD GLU A 7 24.435 -52.614 0.493 1.00 0.00 C ATOM 126 OE1 GLU A 7 25.076 -53.531 1.001 1.00 0.00 O ATOM 127 OE2 GLU A 7 24.908 -51.491 0.314 1.00 0.00 O ATOM 0 H GLU A 7 20.855 -51.339 1.318 1.00 0.00 H new ATOM 0 HA GLU A 7 20.486 -53.583 -0.299 1.00 0.00 H new ATOM 0 HB2 GLU A 7 22.262 -53.002 2.092 1.00 0.00 H new ATOM 0 HB3 GLU A 7 22.315 -54.541 1.255 1.00 0.00 H new ATOM 0 HG2 GLU A 7 23.006 -53.512 -0.836 1.00 0.00 H new ATOM 0 HG3 GLU A 7 22.563 -51.907 -0.288 1.00 0.00 H new ATOM 134 N GLU A 8 19.268 -54.230 2.767 1.00 0.00 N ATOM 135 CA GLU A 8 18.322 -55.218 3.312 1.00 0.00 C ATOM 136 C GLU A 8 16.827 -54.943 3.014 1.00 0.00 C ATOM 137 O GLU A 8 16.046 -55.902 3.039 1.00 0.00 O ATOM 138 CB GLU A 8 18.549 -55.490 4.819 1.00 0.00 C ATOM 139 CG GLU A 8 18.099 -54.355 5.794 1.00 0.00 C ATOM 140 CD GLU A 8 17.966 -54.867 7.229 1.00 0.00 C ATOM 141 OE1 GLU A 8 17.095 -55.707 7.480 1.00 0.00 O ATOM 142 OE2 GLU A 8 18.735 -54.419 8.081 1.00 0.00 O ATOM 0 H GLU A 8 19.563 -53.504 3.420 1.00 0.00 H new ATOM 0 HA GLU A 8 18.560 -56.126 2.757 1.00 0.00 H new ATOM 0 HB2 GLU A 8 18.019 -56.404 5.087 1.00 0.00 H new ATOM 0 HB3 GLU A 8 19.611 -55.679 4.978 1.00 0.00 H new ATOM 0 HG2 GLU A 8 18.822 -53.540 5.763 1.00 0.00 H new ATOM 0 HG3 GLU A 8 17.144 -53.947 5.463 1.00 0.00 H new ATOM 149 N GLU A 9 16.354 -53.706 2.763 1.00 0.00 N ATOM 150 CA GLU A 9 14.951 -53.453 2.383 1.00 0.00 C ATOM 151 C GLU A 9 14.643 -53.875 0.937 1.00 0.00 C ATOM 152 O GLU A 9 13.515 -54.271 0.648 1.00 0.00 O ATOM 153 CB GLU A 9 14.505 -52.011 2.722 1.00 0.00 C ATOM 154 CG GLU A 9 14.654 -51.755 4.262 1.00 0.00 C ATOM 155 CD GLU A 9 13.720 -50.683 4.818 1.00 0.00 C ATOM 156 OE1 GLU A 9 12.507 -50.900 4.782 1.00 0.00 O ATOM 157 OE2 GLU A 9 14.200 -49.690 5.380 1.00 0.00 O ATOM 0 H GLU A 9 16.927 -52.864 2.817 1.00 0.00 H new ATOM 0 HA GLU A 9 14.333 -54.103 3.003 1.00 0.00 H new ATOM 0 HB2 GLU A 9 15.108 -51.294 2.165 1.00 0.00 H new ATOM 0 HB3 GLU A 9 13.469 -51.860 2.418 1.00 0.00 H new ATOM 0 HG2 GLU A 9 14.471 -52.689 4.792 1.00 0.00 H new ATOM 0 HG3 GLU A 9 15.684 -51.466 4.472 1.00 0.00 H new ATOM 164 N ALA A 10 15.604 -53.770 0.017 1.00 0.00 N ATOM 165 CA ALA A 10 15.711 -54.703 -1.112 1.00 0.00 C ATOM 166 C ALA A 10 16.142 -56.139 -0.729 1.00 0.00 C ATOM 167 O ALA A 10 15.248 -56.924 -0.409 1.00 0.00 O ATOM 168 CB ALA A 10 16.560 -54.039 -2.213 1.00 0.00 C ATOM 0 H ALA A 10 16.323 -53.046 0.030 1.00 0.00 H new ATOM 0 HA ALA A 10 14.713 -54.885 -1.510 1.00 0.00 H new ATOM 0 HB1 ALA A 10 16.651 -54.718 -3.061 1.00 0.00 H new ATOM 0 HB2 ALA A 10 16.079 -53.116 -2.537 1.00 0.00 H new ATOM 0 HB3 ALA A 10 17.552 -53.813 -1.821 1.00 0.00 H new ATOM 174 N ALA A 11 17.431 -56.510 -0.643 1.00 0.00 N ATOM 175 CA ALA A 11 17.961 -57.868 -0.907 1.00 0.00 C ATOM 176 C ALA A 11 17.363 -59.073 -0.149 1.00 0.00 C ATOM 177 O ALA A 11 17.512 -60.211 -0.601 1.00 0.00 O ATOM 178 CB ALA A 11 19.479 -57.849 -0.645 1.00 0.00 C ATOM 0 H ALA A 11 18.163 -55.851 -0.378 1.00 0.00 H new ATOM 0 HA ALA A 11 17.665 -58.051 -1.940 1.00 0.00 H new ATOM 0 HB1 ALA A 11 19.893 -58.840 -0.833 1.00 0.00 H new ATOM 0 HB2 ALA A 11 19.954 -57.126 -1.308 1.00 0.00 H new ATOM 0 HB3 ALA A 11 19.666 -57.568 0.392 1.00 0.00 H new ATOM 184 N LYS A 12 16.703 -58.859 0.995 1.00 0.00 N ATOM 185 CA LYS A 12 15.985 -59.911 1.718 1.00 0.00 C ATOM 186 C LYS A 12 14.716 -60.369 0.955 1.00 0.00 C ATOM 187 O LYS A 12 14.274 -61.512 1.115 1.00 0.00 O ATOM 188 CB LYS A 12 15.648 -59.349 3.119 1.00 0.00 C ATOM 189 CG LYS A 12 15.499 -60.418 4.230 1.00 0.00 C ATOM 190 CD LYS A 12 15.088 -59.797 5.590 1.00 0.00 C ATOM 191 CE LYS A 12 16.162 -58.903 6.245 1.00 0.00 C ATOM 192 NZ LYS A 12 15.520 -57.669 6.697 1.00 0.00 N ATOM 0 H LYS A 12 16.653 -57.946 1.446 1.00 0.00 H new ATOM 0 HA LYS A 12 16.605 -60.803 1.809 1.00 0.00 H new ATOM 0 HB2 LYS A 12 16.430 -58.648 3.411 1.00 0.00 H new ATOM 0 HB3 LYS A 12 14.720 -58.782 3.054 1.00 0.00 H new ATOM 0 HG2 LYS A 12 14.752 -61.152 3.927 1.00 0.00 H new ATOM 0 HG3 LYS A 12 16.442 -60.952 4.347 1.00 0.00 H new ATOM 0 HD2 LYS A 12 14.183 -59.207 5.445 1.00 0.00 H new ATOM 0 HD3 LYS A 12 14.836 -60.602 6.280 1.00 0.00 H new ATOM 0 HE2 LYS A 12 16.625 -59.420 7.086 1.00 0.00 H new ATOM 0 HE3 LYS A 12 16.956 -58.679 5.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 16.222 -57.066 7.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 15.127 -57.162 5.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 14.754 -57.899 7.362 1.00 0.00 H new ATOM 206 N TYR A 13 14.124 -59.461 0.150 1.00 0.00 N ATOM 207 CA TYR A 13 13.026 -59.686 -0.810 1.00 0.00 C ATOM 208 C TYR A 13 11.710 -60.332 -0.305 1.00 0.00 C ATOM 209 O TYR A 13 10.801 -60.539 -1.112 1.00 0.00 O ATOM 210 CB TYR A 13 13.551 -60.447 -2.071 1.00 0.00 C ATOM 211 CG TYR A 13 14.573 -59.701 -2.958 1.00 0.00 C ATOM 212 CD1 TYR A 13 14.715 -58.318 -3.040 1.00 0.00 C ATOM 213 CD2 TYR A 13 15.385 -60.450 -3.796 1.00 0.00 C ATOM 214 CE1 TYR A 13 15.605 -57.732 -3.919 1.00 0.00 C ATOM 215 CE2 TYR A 13 16.281 -59.871 -4.673 1.00 0.00 C ATOM 216 CZ TYR A 13 16.387 -58.505 -4.734 1.00 0.00 C ATOM 217 OH TYR A 13 17.258 -57.909 -5.586 1.00 0.00 O ATOM 0 H TYR A 13 14.422 -58.486 0.155 1.00 0.00 H new ATOM 0 HA TYR A 13 12.713 -58.668 -1.040 1.00 0.00 H new ATOM 0 HB2 TYR A 13 14.006 -61.381 -1.740 1.00 0.00 H new ATOM 0 HB3 TYR A 13 12.694 -60.712 -2.690 1.00 0.00 H new ATOM 0 HD1 TYR A 13 14.114 -57.688 -2.401 1.00 0.00 H new ATOM 0 HD2 TYR A 13 15.314 -61.527 -3.762 1.00 0.00 H new ATOM 0 HE1 TYR A 13 15.684 -56.656 -3.963 1.00 0.00 H new ATOM 0 HE2 TYR A 13 16.896 -60.491 -5.308 1.00 0.00 H new ATOM 0 HH TYR A 13 17.740 -58.595 -6.094 1.00 0.00 H new ATOM 227 N LYS A 14 11.558 -60.659 0.987 1.00 0.00 N ATOM 228 CA LYS A 14 10.320 -61.197 1.573 1.00 0.00 C ATOM 229 C LYS A 14 9.173 -60.170 1.515 1.00 0.00 C ATOM 230 O LYS A 14 8.057 -60.446 1.072 1.00 0.00 O ATOM 231 CB LYS A 14 10.582 -61.642 3.045 1.00 0.00 C ATOM 232 CG LYS A 14 11.817 -62.560 3.245 1.00 0.00 C ATOM 233 CD LYS A 14 11.725 -63.947 2.568 1.00 0.00 C ATOM 234 CE LYS A 14 13.101 -64.609 2.431 1.00 0.00 C ATOM 235 NZ LYS A 14 13.796 -64.032 1.282 1.00 0.00 N ATOM 0 H LYS A 14 12.309 -60.555 1.669 1.00 0.00 H new ATOM 0 HA LYS A 14 10.013 -62.062 0.985 1.00 0.00 H new ATOM 0 HB2 LYS A 14 10.707 -60.751 3.661 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.698 -62.163 3.414 1.00 0.00 H new ATOM 0 HG2 LYS A 14 12.698 -62.045 2.862 1.00 0.00 H new ATOM 0 HG3 LYS A 14 11.972 -62.705 4.314 1.00 0.00 H new ATOM 0 HD2 LYS A 14 11.068 -64.593 3.151 1.00 0.00 H new ATOM 0 HD3 LYS A 14 11.274 -63.840 1.582 1.00 0.00 H new ATOM 0 HE2 LYS A 14 13.684 -64.456 3.339 1.00 0.00 H new ATOM 0 HE3 LYS A 14 12.989 -65.685 2.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 14.795 -64.321 1.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 13.353 -64.369 0.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 13.735 -62.995 1.324 1.00 0.00 H new ATOM 249 N TYR A 15 9.494 -58.951 1.950 1.00 0.00 N ATOM 250 CA TYR A 15 8.674 -57.755 1.756 1.00 0.00 C ATOM 251 C TYR A 15 8.873 -57.129 0.349 1.00 0.00 C ATOM 252 O TYR A 15 9.311 -55.985 0.171 1.00 0.00 O ATOM 253 CB TYR A 15 8.923 -56.766 2.942 1.00 0.00 C ATOM 254 CG TYR A 15 10.384 -56.702 3.434 1.00 0.00 C ATOM 255 CD1 TYR A 15 11.444 -56.421 2.588 1.00 0.00 C ATOM 256 CD2 TYR A 15 10.690 -56.936 4.764 1.00 0.00 C ATOM 257 CE1 TYR A 15 12.743 -56.376 3.047 1.00 0.00 C ATOM 258 CE2 TYR A 15 11.988 -56.883 5.234 1.00 0.00 C ATOM 259 CZ TYR A 15 13.016 -56.599 4.373 1.00 0.00 C ATOM 260 OH TYR A 15 14.292 -56.520 4.844 1.00 0.00 O ATOM 0 H TYR A 15 10.356 -58.763 2.462 1.00 0.00 H new ATOM 0 HA TYR A 15 7.618 -58.026 1.775 1.00 0.00 H new ATOM 0 HB2 TYR A 15 8.614 -55.767 2.635 1.00 0.00 H new ATOM 0 HB3 TYR A 15 8.285 -57.054 3.777 1.00 0.00 H new ATOM 0 HD1 TYR A 15 11.248 -56.232 1.543 1.00 0.00 H new ATOM 0 HD2 TYR A 15 9.891 -57.166 5.453 1.00 0.00 H new ATOM 0 HE1 TYR A 15 13.549 -56.164 2.360 1.00 0.00 H new ATOM 0 HE2 TYR A 15 12.193 -57.065 6.279 1.00 0.00 H new ATOM 0 HH TYR A 15 14.920 -56.540 4.092 1.00 0.00 H new ATOM 270 N ALA A 16 8.507 -57.939 -0.655 1.00 0.00 N ATOM 271 CA ALA A 16 8.692 -57.668 -2.083 1.00 0.00 C ATOM 272 C ALA A 16 8.028 -56.381 -2.612 1.00 0.00 C ATOM 273 O ALA A 16 8.633 -55.657 -3.404 1.00 0.00 O ATOM 274 CB ALA A 16 8.180 -58.902 -2.854 1.00 0.00 C ATOM 0 H ALA A 16 8.055 -58.838 -0.484 1.00 0.00 H new ATOM 0 HA ALA A 16 9.755 -57.488 -2.241 1.00 0.00 H new ATOM 0 HB1 ALA A 16 8.301 -58.738 -3.925 1.00 0.00 H new ATOM 0 HB2 ALA A 16 8.751 -59.781 -2.554 1.00 0.00 H new ATOM 0 HB3 ALA A 16 7.125 -59.060 -2.628 1.00 0.00 H new ATOM 280 N MET A 17 6.803 -56.075 -2.170 1.00 0.00 N ATOM 281 CA MET A 17 6.107 -54.832 -2.514 1.00 0.00 C ATOM 282 C MET A 17 6.750 -53.574 -1.885 1.00 0.00 C ATOM 283 O MET A 17 6.665 -52.480 -2.448 1.00 0.00 O ATOM 284 CB MET A 17 4.582 -54.941 -2.205 1.00 0.00 C ATOM 285 CG MET A 17 4.123 -55.056 -0.723 1.00 0.00 C ATOM 286 SD MET A 17 4.529 -56.603 0.133 1.00 0.00 S ATOM 287 CE MET A 17 3.055 -57.591 -0.229 1.00 0.00 C ATOM 0 H MET A 17 6.264 -56.688 -1.559 1.00 0.00 H new ATOM 0 HA MET A 17 6.218 -54.698 -3.590 1.00 0.00 H new ATOM 0 HB2 MET A 17 4.095 -54.065 -2.634 1.00 0.00 H new ATOM 0 HB3 MET A 17 4.199 -55.812 -2.737 1.00 0.00 H new ATOM 0 HG2 MET A 17 4.565 -54.231 -0.164 1.00 0.00 H new ATOM 0 HG3 MET A 17 3.042 -54.921 -0.689 1.00 0.00 H new ATOM 0 HE1 MET A 17 3.154 -58.574 0.231 1.00 0.00 H new ATOM 0 HE2 MET A 17 2.174 -57.090 0.171 1.00 0.00 H new ATOM 0 HE3 MET A 17 2.949 -57.705 -1.308 1.00 0.00 H new ATOM 297 N LEU A 18 7.448 -53.724 -0.751 1.00 0.00 N ATOM 298 CA LEU A 18 8.111 -52.618 -0.055 1.00 0.00 C ATOM 299 C LEU A 18 9.527 -52.369 -0.605 1.00 0.00 C ATOM 300 O LEU A 18 9.955 -51.220 -0.722 1.00 0.00 O ATOM 301 CB LEU A 18 8.082 -52.868 1.477 1.00 0.00 C ATOM 302 CG LEU A 18 6.657 -53.163 2.032 1.00 0.00 C ATOM 303 CD1 LEU A 18 6.697 -53.449 3.533 1.00 0.00 C ATOM 304 CD2 LEU A 18 5.670 -52.012 1.784 1.00 0.00 C ATOM 0 H LEU A 18 7.568 -54.625 -0.289 1.00 0.00 H new ATOM 0 HA LEU A 18 7.562 -51.696 -0.244 1.00 0.00 H new ATOM 0 HB2 LEU A 18 8.736 -53.708 1.712 1.00 0.00 H new ATOM 0 HB3 LEU A 18 8.488 -51.995 1.987 1.00 0.00 H new ATOM 0 HG LEU A 18 6.308 -54.041 1.489 1.00 0.00 H new ATOM 0 HD11 LEU A 18 5.688 -53.651 3.892 1.00 0.00 H new ATOM 0 HD12 LEU A 18 7.330 -54.316 3.721 1.00 0.00 H new ATOM 0 HD13 LEU A 18 7.102 -52.584 4.058 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.694 -52.275 2.192 1.00 0.00 H new ATOM 0 HD22 LEU A 18 6.036 -51.108 2.271 1.00 0.00 H new ATOM 0 HD23 LEU A 18 5.579 -51.835 0.712 1.00 0.00 H new ATOM 316 N LYS A 19 10.276 -53.424 -0.946 1.00 0.00 N ATOM 317 CA LYS A 19 11.355 -53.333 -1.934 1.00 0.00 C ATOM 318 C LYS A 19 10.931 -52.718 -3.290 1.00 0.00 C ATOM 319 O LYS A 19 11.675 -51.909 -3.845 1.00 0.00 O ATOM 320 CB LYS A 19 11.886 -54.792 -2.131 1.00 0.00 C ATOM 321 CG LYS A 19 12.639 -55.139 -3.456 1.00 0.00 C ATOM 322 CD LYS A 19 11.820 -56.104 -4.340 1.00 0.00 C ATOM 323 CE LYS A 19 12.445 -56.316 -5.712 1.00 0.00 C ATOM 324 NZ LYS A 19 11.638 -57.308 -6.404 1.00 0.00 N ATOM 0 H LYS A 19 10.153 -54.355 -0.549 1.00 0.00 H new ATOM 0 HA LYS A 19 12.120 -52.652 -1.560 1.00 0.00 H new ATOM 0 HB2 LYS A 19 12.556 -55.016 -1.301 1.00 0.00 H new ATOM 0 HB3 LYS A 19 11.036 -55.469 -2.046 1.00 0.00 H new ATOM 0 HG2 LYS A 19 12.843 -54.223 -4.010 1.00 0.00 H new ATOM 0 HG3 LYS A 19 13.603 -55.590 -3.220 1.00 0.00 H new ATOM 0 HD2 LYS A 19 11.729 -57.065 -3.834 1.00 0.00 H new ATOM 0 HD3 LYS A 19 10.811 -55.711 -4.462 1.00 0.00 H new ATOM 0 HE2 LYS A 19 12.469 -55.381 -6.272 1.00 0.00 H new ATOM 0 HE3 LYS A 19 13.476 -56.657 -5.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 12.035 -57.480 -7.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 11.638 -58.195 -5.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 10.663 -56.959 -6.497 1.00 0.00 H new ATOM 338 N LYS A 20 9.786 -53.082 -3.883 1.00 0.00 N ATOM 339 CA LYS A 20 9.291 -52.415 -5.093 1.00 0.00 C ATOM 340 C LYS A 20 8.883 -50.937 -4.823 1.00 0.00 C ATOM 341 O LYS A 20 8.854 -50.129 -5.760 1.00 0.00 O ATOM 342 CB LYS A 20 8.115 -53.259 -5.649 1.00 0.00 C ATOM 343 CG LYS A 20 7.700 -52.918 -7.105 1.00 0.00 C ATOM 344 CD LYS A 20 6.172 -52.711 -7.301 1.00 0.00 C ATOM 345 CE LYS A 20 5.547 -51.542 -6.515 1.00 0.00 C ATOM 346 NZ LYS A 20 6.271 -50.318 -6.833 1.00 0.00 N ATOM 0 H LYS A 20 9.186 -53.834 -3.544 1.00 0.00 H new ATOM 0 HA LYS A 20 10.086 -52.358 -5.837 1.00 0.00 H new ATOM 0 HB2 LYS A 20 8.389 -54.313 -5.602 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.251 -53.124 -4.999 1.00 0.00 H new ATOM 0 HG2 LYS A 20 8.221 -52.012 -7.417 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.034 -53.720 -7.763 1.00 0.00 H new ATOM 0 HD2 LYS A 20 5.979 -52.555 -8.362 1.00 0.00 H new ATOM 0 HD3 LYS A 20 5.660 -53.630 -7.016 1.00 0.00 H new ATOM 0 HE2 LYS A 20 4.494 -51.435 -6.774 1.00 0.00 H new ATOM 0 HE3 LYS A 20 5.594 -51.740 -5.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.846 -49.520 -6.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 7.267 -50.420 -6.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 6.218 -50.139 -7.856 1.00 0.00 H new ATOM 360 N CYS A 21 8.517 -50.559 -3.583 1.00 0.00 N ATOM 361 CA CYS A 21 8.418 -49.157 -3.147 1.00 0.00 C ATOM 362 C CYS A 21 9.786 -48.427 -3.053 1.00 0.00 C ATOM 363 O CYS A 21 9.873 -47.250 -3.426 1.00 0.00 O ATOM 364 CB CYS A 21 7.674 -49.146 -1.802 1.00 0.00 C ATOM 365 SG CYS A 21 6.963 -47.551 -1.337 1.00 0.00 S ATOM 0 H CYS A 21 8.280 -51.227 -2.850 1.00 0.00 H new ATOM 0 HA CYS A 21 7.870 -48.595 -3.903 1.00 0.00 H new ATOM 0 HB2 CYS A 21 6.875 -49.886 -1.840 1.00 0.00 H new ATOM 0 HB3 CYS A 21 8.364 -49.462 -1.019 1.00 0.00 H new ATOM 370 N CYS A 22 10.862 -49.102 -2.586 1.00 0.00 N ATOM 371 CA CYS A 22 12.263 -48.702 -2.848 1.00 0.00 C ATOM 372 C CYS A 22 12.460 -48.385 -4.322 1.00 0.00 C ATOM 373 O CYS A 22 12.928 -47.310 -4.690 1.00 0.00 O ATOM 374 CB CYS A 22 13.269 -49.760 -2.307 1.00 0.00 C ATOM 375 SG CYS A 22 14.863 -49.126 -1.702 1.00 0.00 S ATOM 0 H CYS A 22 10.782 -49.943 -2.014 1.00 0.00 H new ATOM 0 HA CYS A 22 12.474 -47.785 -2.298 1.00 0.00 H new ATOM 0 HB2 CYS A 22 12.788 -50.305 -1.495 1.00 0.00 H new ATOM 0 HB3 CYS A 22 13.467 -50.480 -3.101 1.00 0.00 H new ATOM 380 N TYR A 23 12.044 -49.297 -5.178 1.00 0.00 N ATOM 381 CA TYR A 23 12.259 -49.122 -6.599 1.00 0.00 C ATOM 382 C TYR A 23 11.333 -48.073 -7.268 1.00 0.00 C ATOM 383 O TYR A 23 11.708 -47.524 -8.307 1.00 0.00 O ATOM 384 CB TYR A 23 12.368 -50.525 -7.171 1.00 0.00 C ATOM 385 CG TYR A 23 13.519 -51.351 -6.518 1.00 0.00 C ATOM 386 CD1 TYR A 23 14.473 -50.918 -5.560 1.00 0.00 C ATOM 387 CD2 TYR A 23 13.701 -52.615 -7.045 1.00 0.00 C ATOM 388 CE1 TYR A 23 15.558 -51.715 -5.246 1.00 0.00 C ATOM 389 CE2 TYR A 23 14.783 -53.406 -6.719 1.00 0.00 C ATOM 390 CZ TYR A 23 15.715 -52.948 -5.831 1.00 0.00 C ATOM 391 OH TYR A 23 16.802 -53.713 -5.561 1.00 0.00 O ATOM 0 H TYR A 23 11.561 -50.157 -4.918 1.00 0.00 H new ATOM 0 HA TYR A 23 13.192 -48.612 -6.839 1.00 0.00 H new ATOM 0 HB2 TYR A 23 11.423 -51.047 -7.025 1.00 0.00 H new ATOM 0 HB3 TYR A 23 12.535 -50.463 -8.246 1.00 0.00 H new ATOM 0 HD1 TYR A 23 14.351 -49.961 -5.074 1.00 0.00 H new ATOM 0 HD2 TYR A 23 12.968 -52.999 -7.739 1.00 0.00 H new ATOM 0 HE1 TYR A 23 16.290 -51.365 -4.533 1.00 0.00 H new ATOM 0 HE2 TYR A 23 14.893 -54.384 -7.164 1.00 0.00 H new ATOM 0 HH TYR A 23 16.744 -54.553 -6.063 1.00 0.00 H new ATOM 401 N ASP A 24 10.168 -47.730 -6.678 1.00 0.00 N ATOM 402 CA ASP A 24 9.493 -46.437 -6.918 1.00 0.00 C ATOM 403 C ASP A 24 10.369 -45.219 -6.565 1.00 0.00 C ATOM 404 O ASP A 24 10.408 -44.261 -7.337 1.00 0.00 O ATOM 405 CB ASP A 24 8.145 -46.302 -6.152 1.00 0.00 C ATOM 406 CG ASP A 24 7.074 -47.279 -6.619 1.00 0.00 C ATOM 407 OD1 ASP A 24 6.902 -47.481 -7.819 1.00 0.00 O ATOM 408 OD2 ASP A 24 6.399 -47.855 -5.765 1.00 0.00 O ATOM 0 H ASP A 24 9.672 -48.337 -6.026 1.00 0.00 H new ATOM 0 HA ASP A 24 9.300 -46.440 -7.991 1.00 0.00 H new ATOM 0 HB2 ASP A 24 8.325 -46.456 -5.088 1.00 0.00 H new ATOM 0 HB3 ASP A 24 7.772 -45.285 -6.268 1.00 0.00 H new ATOM 413 N GLY A 25 11.045 -45.239 -5.405 1.00 0.00 N ATOM 414 CA GLY A 25 12.050 -44.226 -5.041 1.00 0.00 C ATOM 415 C GLY A 25 13.248 -44.139 -5.994 1.00 0.00 C ATOM 416 O GLY A 25 13.643 -43.037 -6.375 1.00 0.00 O ATOM 0 H GLY A 25 10.911 -45.957 -4.693 1.00 0.00 H new ATOM 0 HA2 GLY A 25 11.565 -43.251 -5.000 1.00 0.00 H new ATOM 0 HA3 GLY A 25 12.417 -44.442 -4.037 1.00 0.00 H new ATOM 420 N ALA A 26 13.820 -45.294 -6.367 1.00 0.00 N ATOM 421 CA ALA A 26 14.904 -45.384 -7.352 1.00 0.00 C ATOM 422 C ALA A 26 14.515 -44.863 -8.751 1.00 0.00 C ATOM 423 O ALA A 26 15.334 -44.201 -9.395 1.00 0.00 O ATOM 424 CB ALA A 26 15.421 -46.832 -7.435 1.00 0.00 C ATOM 0 H ALA A 26 13.539 -46.199 -5.989 1.00 0.00 H new ATOM 0 HA ALA A 26 15.699 -44.727 -7.001 1.00 0.00 H new ATOM 0 HB1 ALA A 26 16.225 -46.890 -8.168 1.00 0.00 H new ATOM 0 HB2 ALA A 26 15.797 -47.141 -6.459 1.00 0.00 H new ATOM 0 HB3 ALA A 26 14.608 -47.492 -7.736 1.00 0.00 H new ATOM 430 N TYR A 27 13.295 -45.130 -9.250 1.00 0.00 N ATOM 431 CA TYR A 27 12.782 -44.469 -10.456 1.00 0.00 C ATOM 432 C TYR A 27 12.462 -42.968 -10.248 1.00 0.00 C ATOM 433 O TYR A 27 11.313 -42.540 -10.094 1.00 0.00 O ATOM 434 CB TYR A 27 11.565 -45.249 -11.030 1.00 0.00 C ATOM 435 CG TYR A 27 12.024 -46.441 -11.881 1.00 0.00 C ATOM 436 CD1 TYR A 27 12.248 -46.301 -13.241 1.00 0.00 C ATOM 437 CD2 TYR A 27 12.231 -47.693 -11.329 1.00 0.00 C ATOM 438 CE1 TYR A 27 12.662 -47.367 -14.015 1.00 0.00 C ATOM 439 CE2 TYR A 27 12.645 -48.765 -12.095 1.00 0.00 C ATOM 440 CZ TYR A 27 12.860 -48.597 -13.442 1.00 0.00 C ATOM 441 OH TYR A 27 13.266 -49.634 -14.216 1.00 0.00 O ATOM 0 H TYR A 27 12.648 -45.800 -8.834 1.00 0.00 H new ATOM 0 HA TYR A 27 13.585 -44.491 -11.193 1.00 0.00 H new ATOM 0 HB2 TYR A 27 10.937 -45.603 -10.212 1.00 0.00 H new ATOM 0 HB3 TYR A 27 10.953 -44.580 -11.635 1.00 0.00 H new ATOM 0 HD1 TYR A 27 12.096 -45.338 -13.706 1.00 0.00 H new ATOM 0 HD2 TYR A 27 12.064 -47.836 -10.271 1.00 0.00 H new ATOM 0 HE1 TYR A 27 12.830 -47.232 -15.073 1.00 0.00 H new ATOM 0 HE2 TYR A 27 12.799 -49.731 -11.638 1.00 0.00 H new ATOM 0 HH TYR A 27 13.362 -50.437 -13.663 1.00 0.00 H new ATOM 451 N ARG A 28 13.523 -42.156 -10.189 1.00 0.00 N ATOM 452 CA ARG A 28 13.424 -40.700 -10.296 1.00 0.00 C ATOM 453 C ARG A 28 13.789 -40.257 -11.729 1.00 0.00 C ATOM 454 O ARG A 28 14.923 -40.416 -12.195 1.00 0.00 O ATOM 455 CB ARG A 28 14.331 -40.065 -9.226 1.00 0.00 C ATOM 456 CG ARG A 28 14.114 -38.550 -9.058 1.00 0.00 C ATOM 457 CD ARG A 28 14.956 -38.006 -7.907 1.00 0.00 C ATOM 458 NE ARG A 28 14.660 -36.583 -7.761 1.00 0.00 N ATOM 459 CZ ARG A 28 15.368 -35.595 -8.226 1.00 0.00 C ATOM 460 NH1 ARG A 28 16.329 -35.692 -9.067 1.00 0.00 N ATOM 461 NH2 ARG A 28 14.994 -34.431 -7.874 1.00 0.00 N ATOM 0 H ARG A 28 14.478 -42.494 -10.065 1.00 0.00 H new ATOM 0 HA ARG A 28 12.404 -40.362 -10.113 1.00 0.00 H new ATOM 0 HB2 ARG A 28 14.152 -40.558 -8.270 1.00 0.00 H new ATOM 0 HB3 ARG A 28 15.373 -40.248 -9.489 1.00 0.00 H new ATOM 0 HG2 ARG A 28 14.378 -38.036 -9.982 1.00 0.00 H new ATOM 0 HG3 ARG A 28 13.059 -38.348 -8.870 1.00 0.00 H new ATOM 0 HD2 ARG A 28 14.728 -38.539 -6.984 1.00 0.00 H new ATOM 0 HD3 ARG A 28 16.017 -38.155 -8.108 1.00 0.00 H new ATOM 0 HE ARG A 28 13.815 -36.340 -7.244 1.00 0.00 H new ATOM 0 HH11 ARG A 28 16.597 -36.606 -9.431 1.00 0.00 H new ATOM 0 HH12 ARG A 28 16.826 -34.855 -9.372 1.00 0.00 H new ATOM 0 HH21 ARG A 28 14.184 -34.318 -7.264 1.00 0.00 H new ATOM 0 HH22 ARG A 28 15.504 -33.611 -8.202 1.00 0.00 H new ATOM 475 N ASN A 29 12.813 -39.660 -12.422 1.00 0.00 N ATOM 476 CA ASN A 29 12.795 -39.604 -13.884 1.00 0.00 C ATOM 477 C ASN A 29 13.166 -38.197 -14.395 1.00 0.00 C ATOM 478 O ASN A 29 14.295 -37.981 -14.841 1.00 0.00 O ATOM 479 CB ASN A 29 11.388 -40.061 -14.398 1.00 0.00 C ATOM 480 CG ASN A 29 10.929 -41.359 -13.730 1.00 0.00 C ATOM 481 OD1 ASN A 29 11.127 -42.456 -14.236 1.00 0.00 O ATOM 482 ND2 ASN A 29 10.310 -41.285 -12.566 1.00 0.00 N ATOM 0 H ASN A 29 12.014 -39.203 -11.983 1.00 0.00 H new ATOM 0 HA ASN A 29 13.549 -40.284 -14.281 1.00 0.00 H new ATOM 0 HB2 ASN A 29 10.658 -39.275 -14.204 1.00 0.00 H new ATOM 0 HB3 ASN A 29 11.425 -40.202 -15.478 1.00 0.00 H new ATOM 0 HD21 ASN A 29 10.002 -42.137 -12.097 1.00 0.00 H new ATOM 0 HD22 ASN A 29 10.140 -40.376 -12.136 1.00 0.00 H new ATOM 489 N ASP A 30 12.241 -37.230 -14.322 1.00 0.00 N ATOM 490 CA ASP A 30 12.473 -35.836 -14.709 1.00 0.00 C ATOM 491 C ASP A 30 13.374 -35.084 -13.698 1.00 0.00 C ATOM 492 O ASP A 30 14.571 -34.959 -13.962 1.00 0.00 O ATOM 493 CB ASP A 30 11.103 -35.155 -15.025 1.00 0.00 C ATOM 494 CG ASP A 30 10.074 -35.378 -13.918 1.00 0.00 C ATOM 495 OD1 ASP A 30 10.066 -34.592 -12.973 1.00 0.00 O ATOM 496 OD2 ASP A 30 9.355 -36.372 -13.978 1.00 0.00 O ATOM 0 H ASP A 30 11.293 -37.401 -13.986 1.00 0.00 H new ATOM 0 HA ASP A 30 13.057 -35.797 -15.629 1.00 0.00 H new ATOM 0 HB2 ASP A 30 11.256 -34.085 -15.165 1.00 0.00 H new ATOM 0 HB3 ASP A 30 10.713 -35.547 -15.964 1.00 0.00 H new ATOM 501 N ASP A 31 12.834 -34.564 -12.581 1.00 0.00 N ATOM 502 CA ASP A 31 13.574 -34.163 -11.378 1.00 0.00 C ATOM 503 C ASP A 31 12.564 -33.965 -10.217 1.00 0.00 C ATOM 504 O ASP A 31 12.350 -32.859 -9.712 1.00 0.00 O ATOM 505 CB ASP A 31 14.456 -32.880 -11.623 1.00 0.00 C ATOM 506 CG ASP A 31 15.684 -32.873 -10.711 1.00 0.00 C ATOM 507 OD1 ASP A 31 16.690 -33.495 -11.060 1.00 0.00 O ATOM 508 OD2 ASP A 31 15.627 -32.316 -9.616 1.00 0.00 O ATOM 0 H ASP A 31 11.830 -34.407 -12.492 1.00 0.00 H new ATOM 0 HA ASP A 31 14.277 -34.952 -11.111 1.00 0.00 H new ATOM 0 HB2 ASP A 31 14.773 -32.847 -12.665 1.00 0.00 H new ATOM 0 HB3 ASP A 31 13.860 -31.985 -11.442 1.00 0.00 H new ATOM 513 N GLU A 32 11.889 -35.059 -9.831 1.00 0.00 N ATOM 514 CA GLU A 32 10.864 -35.056 -8.778 1.00 0.00 C ATOM 515 C GLU A 32 11.394 -34.786 -7.349 1.00 0.00 C ATOM 516 O GLU A 32 12.442 -35.293 -6.929 1.00 0.00 O ATOM 517 CB GLU A 32 10.072 -36.397 -8.778 1.00 0.00 C ATOM 518 CG GLU A 32 9.394 -36.789 -10.138 1.00 0.00 C ATOM 519 CD GLU A 32 10.230 -37.763 -10.975 1.00 0.00 C ATOM 520 OE1 GLU A 32 11.349 -37.427 -11.367 1.00 0.00 O ATOM 521 OE2 GLU A 32 9.774 -38.876 -11.233 1.00 0.00 O ATOM 0 H GLU A 32 12.042 -35.978 -10.245 1.00 0.00 H new ATOM 0 HA GLU A 32 10.216 -34.216 -9.030 1.00 0.00 H new ATOM 0 HB2 GLU A 32 10.751 -37.199 -8.488 1.00 0.00 H new ATOM 0 HB3 GLU A 32 9.299 -36.341 -8.011 1.00 0.00 H new ATOM 0 HG2 GLU A 32 8.422 -37.238 -9.935 1.00 0.00 H new ATOM 0 HG3 GLU A 32 9.213 -35.885 -10.719 1.00 0.00 H new ATOM 528 N THR A 33 10.659 -33.972 -6.581 1.00 0.00 N ATOM 529 CA THR A 33 10.899 -33.772 -5.147 1.00 0.00 C ATOM 530 C THR A 33 10.364 -34.958 -4.320 1.00 0.00 C ATOM 531 O THR A 33 9.156 -35.205 -4.234 1.00 0.00 O ATOM 532 CB THR A 33 10.295 -32.427 -4.657 1.00 0.00 C ATOM 533 OG1 THR A 33 9.000 -32.225 -5.204 1.00 0.00 O ATOM 534 CG2 THR A 33 11.114 -31.221 -5.098 1.00 0.00 C ATOM 0 H THR A 33 9.874 -33.429 -6.941 1.00 0.00 H new ATOM 0 HA THR A 33 11.978 -33.724 -4.997 1.00 0.00 H new ATOM 0 HB THR A 33 10.279 -32.502 -3.570 1.00 0.00 H new ATOM 0 HG1 THR A 33 8.617 -31.398 -4.842 1.00 0.00 H new ATOM 0 HG21 THR A 33 10.646 -30.309 -4.728 1.00 0.00 H new ATOM 0 HG22 THR A 33 12.124 -31.300 -4.695 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.159 -31.190 -6.187 1.00 0.00 H new ATOM 542 N CYS A 34 11.308 -35.675 -3.688 1.00 0.00 N ATOM 543 CA CYS A 34 11.088 -36.992 -3.077 1.00 0.00 C ATOM 544 C CYS A 34 9.974 -37.024 -2.020 1.00 0.00 C ATOM 545 O CYS A 34 9.085 -37.873 -2.089 1.00 0.00 O ATOM 546 CB CYS A 34 12.410 -37.506 -2.443 1.00 0.00 C ATOM 547 SG CYS A 34 13.705 -37.974 -3.621 1.00 0.00 S ATOM 0 H CYS A 34 12.268 -35.345 -3.587 1.00 0.00 H new ATOM 0 HA CYS A 34 10.760 -37.642 -3.888 1.00 0.00 H new ATOM 0 HB2 CYS A 34 12.803 -36.731 -1.785 1.00 0.00 H new ATOM 0 HB3 CYS A 34 12.182 -38.369 -1.818 1.00 0.00 H new ATOM 552 N GLU A 35 10.007 -36.087 -1.068 1.00 0.00 N ATOM 553 CA GLU A 35 9.015 -35.990 0.004 1.00 0.00 C ATOM 554 C GLU A 35 7.617 -35.536 -0.464 1.00 0.00 C ATOM 555 O GLU A 35 6.642 -35.947 0.157 1.00 0.00 O ATOM 556 CB GLU A 35 9.568 -35.080 1.149 1.00 0.00 C ATOM 557 CG GLU A 35 9.618 -33.519 0.914 1.00 0.00 C ATOM 558 CD GLU A 35 10.303 -33.078 -0.387 1.00 0.00 C ATOM 559 OE1 GLU A 35 11.399 -33.548 -0.694 1.00 0.00 O ATOM 560 OE2 GLU A 35 9.692 -32.308 -1.121 1.00 0.00 O ATOM 0 H GLU A 35 10.730 -35.369 -1.020 1.00 0.00 H new ATOM 0 HA GLU A 35 8.859 -37.000 0.382 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.964 -35.262 2.038 1.00 0.00 H new ATOM 0 HB3 GLU A 35 10.580 -35.413 1.378 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.598 -33.134 0.918 1.00 0.00 H new ATOM 0 HG3 GLU A 35 10.137 -33.057 1.754 1.00 0.00 H new ATOM 567 N GLU A 36 7.462 -34.715 -1.518 1.00 0.00 N ATOM 568 CA GLU A 36 6.149 -34.384 -2.089 1.00 0.00 C ATOM 569 C GLU A 36 5.533 -35.576 -2.847 1.00 0.00 C ATOM 570 O GLU A 36 4.351 -35.916 -2.665 1.00 0.00 O ATOM 571 CB GLU A 36 6.252 -33.152 -3.022 1.00 0.00 C ATOM 572 CG GLU A 36 6.517 -31.833 -2.241 1.00 0.00 C ATOM 573 CD GLU A 36 6.558 -30.614 -3.163 1.00 0.00 C ATOM 574 OE1 GLU A 36 7.553 -30.439 -3.869 1.00 0.00 O ATOM 575 OE2 GLU A 36 5.591 -29.857 -3.163 1.00 0.00 O ATOM 0 H GLU A 36 8.243 -34.265 -1.995 1.00 0.00 H new ATOM 0 HA GLU A 36 5.488 -34.144 -1.256 1.00 0.00 H new ATOM 0 HB2 GLU A 36 7.055 -33.312 -3.742 1.00 0.00 H new ATOM 0 HB3 GLU A 36 5.328 -33.054 -3.592 1.00 0.00 H new ATOM 0 HG2 GLU A 36 5.738 -31.694 -1.492 1.00 0.00 H new ATOM 0 HG3 GLU A 36 7.463 -31.914 -1.706 1.00 0.00 H new ATOM 582 N ARG A 37 6.372 -36.205 -3.686 1.00 0.00 N ATOM 583 CA ARG A 37 6.029 -37.451 -4.364 1.00 0.00 C ATOM 584 C ARG A 37 5.671 -38.549 -3.344 1.00 0.00 C ATOM 585 O ARG A 37 4.590 -39.130 -3.443 1.00 0.00 O ATOM 586 CB ARG A 37 7.193 -37.852 -5.317 1.00 0.00 C ATOM 587 CG ARG A 37 6.849 -39.085 -6.184 1.00 0.00 C ATOM 588 CD ARG A 37 7.793 -39.366 -7.359 1.00 0.00 C ATOM 589 NE ARG A 37 9.092 -39.848 -6.883 1.00 0.00 N ATOM 590 CZ ARG A 37 9.905 -40.615 -7.563 1.00 0.00 C ATOM 591 NH1 ARG A 37 9.722 -40.957 -8.785 1.00 0.00 N ATOM 592 NH2 ARG A 37 10.958 -41.050 -6.993 1.00 0.00 N ATOM 0 H ARG A 37 7.305 -35.859 -3.909 1.00 0.00 H new ATOM 0 HA ARG A 37 5.137 -37.313 -4.975 1.00 0.00 H new ATOM 0 HB2 ARG A 37 7.433 -37.010 -5.967 1.00 0.00 H new ATOM 0 HB3 ARG A 37 8.085 -38.064 -4.727 1.00 0.00 H new ATOM 0 HG2 ARG A 37 6.832 -39.964 -5.540 1.00 0.00 H new ATOM 0 HG3 ARG A 37 5.840 -38.958 -6.577 1.00 0.00 H new ATOM 0 HD2 ARG A 37 7.346 -40.108 -8.021 1.00 0.00 H new ATOM 0 HD3 ARG A 37 7.930 -38.458 -7.945 1.00 0.00 H new ATOM 0 HE ARG A 37 9.385 -39.563 -5.949 1.00 0.00 H new ATOM 0 HH11 ARG A 37 8.899 -40.627 -9.289 1.00 0.00 H new ATOM 0 HH12 ARG A 37 10.399 -41.559 -9.253 1.00 0.00 H new ATOM 0 HH21 ARG A 37 11.154 -40.799 -6.024 1.00 0.00 H new ATOM 0 HH22 ARG A 37 11.605 -41.649 -7.506 1.00 0.00 H new ATOM 606 N ALA A 38 6.506 -38.820 -2.334 1.00 0.00 N ATOM 607 CA ALA A 38 6.191 -39.792 -1.288 1.00 0.00 C ATOM 608 C ALA A 38 5.306 -39.301 -0.116 1.00 0.00 C ATOM 609 O ALA A 38 5.014 -40.076 0.795 1.00 0.00 O ATOM 610 CB ALA A 38 7.490 -40.464 -0.885 1.00 0.00 C ATOM 0 H ALA A 38 7.415 -38.372 -2.222 1.00 0.00 H new ATOM 0 HA ALA A 38 5.507 -40.529 -1.708 1.00 0.00 H new ATOM 0 HB1 ALA A 38 7.293 -41.198 -0.104 1.00 0.00 H new ATOM 0 HB2 ALA A 38 7.925 -40.963 -1.751 1.00 0.00 H new ATOM 0 HB3 ALA A 38 8.187 -39.714 -0.511 1.00 0.00 H new ATOM 616 N ALA A 39 4.872 -38.032 -0.066 1.00 0.00 N ATOM 617 CA ALA A 39 3.611 -37.670 0.590 1.00 0.00 C ATOM 618 C ALA A 39 2.386 -38.244 -0.148 1.00 0.00 C ATOM 619 O ALA A 39 1.411 -38.633 0.501 1.00 0.00 O ATOM 620 CB ALA A 39 3.491 -36.139 0.715 1.00 0.00 C ATOM 0 H ALA A 39 5.376 -37.243 -0.471 1.00 0.00 H new ATOM 0 HA ALA A 39 3.626 -38.111 1.586 1.00 0.00 H new ATOM 0 HB1 ALA A 39 2.550 -35.886 1.204 1.00 0.00 H new ATOM 0 HB2 ALA A 39 4.322 -35.756 1.308 1.00 0.00 H new ATOM 0 HB3 ALA A 39 3.516 -35.690 -0.278 1.00 0.00 H new ATOM 626 N ARG A 40 2.407 -38.266 -1.490 1.00 0.00 N ATOM 627 CA ARG A 40 1.397 -38.982 -2.287 1.00 0.00 C ATOM 628 C ARG A 40 1.514 -40.528 -2.230 1.00 0.00 C ATOM 629 O ARG A 40 0.489 -41.212 -2.254 1.00 0.00 O ATOM 630 CB ARG A 40 1.462 -38.453 -3.740 1.00 0.00 C ATOM 631 CG ARG A 40 1.021 -36.971 -3.835 1.00 0.00 C ATOM 632 CD ARG A 40 1.690 -36.233 -5.000 1.00 0.00 C ATOM 633 NE ARG A 40 1.207 -34.850 -5.029 1.00 0.00 N ATOM 634 CZ ARG A 40 1.645 -33.858 -4.301 1.00 0.00 C ATOM 635 NH1 ARG A 40 2.564 -33.937 -3.411 1.00 0.00 N ATOM 636 NH2 ARG A 40 1.113 -32.713 -4.481 1.00 0.00 N ATOM 0 H ARG A 40 3.117 -37.793 -2.049 1.00 0.00 H new ATOM 0 HA ARG A 40 0.420 -38.777 -1.848 1.00 0.00 H new ATOM 0 HB2 ARG A 40 2.479 -38.554 -4.118 1.00 0.00 H new ATOM 0 HB3 ARG A 40 0.823 -39.064 -4.378 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -0.062 -36.924 -3.953 1.00 0.00 H new ATOM 0 HG3 ARG A 40 1.262 -36.463 -2.901 1.00 0.00 H new ATOM 0 HD2 ARG A 40 2.774 -36.251 -4.884 1.00 0.00 H new ATOM 0 HD3 ARG A 40 1.462 -36.731 -5.942 1.00 0.00 H new ATOM 0 HE ARG A 40 0.453 -34.641 -5.683 1.00 0.00 H new ATOM 0 HH11 ARG A 40 3.018 -34.831 -3.224 1.00 0.00 H new ATOM 0 HH12 ARG A 40 2.842 -33.106 -2.890 1.00 0.00 H new ATOM 0 HH21 ARG A 40 0.373 -32.598 -5.174 1.00 0.00 H new ATOM 0 HH22 ARG A 40 1.427 -31.913 -3.932 1.00 0.00 H new ATOM 650 N ILE A 41 2.717 -41.130 -2.202 1.00 0.00 N ATOM 651 CA ILE A 41 2.925 -42.554 -1.888 1.00 0.00 C ATOM 652 C ILE A 41 2.715 -42.891 -0.390 1.00 0.00 C ATOM 653 O ILE A 41 3.583 -42.998 0.476 1.00 0.00 O ATOM 654 CB ILE A 41 4.211 -43.172 -2.522 1.00 0.00 C ATOM 655 CG1 ILE A 41 4.196 -43.045 -4.060 1.00 0.00 C ATOM 656 CG2 ILE A 41 4.354 -44.637 -2.233 1.00 0.00 C ATOM 657 CD1 ILE A 41 5.168 -41.962 -4.418 1.00 0.00 C ATOM 0 H ILE A 41 3.585 -40.632 -2.400 1.00 0.00 H new ATOM 0 HA ILE A 41 2.117 -43.076 -2.401 1.00 0.00 H new ATOM 0 HB ILE A 41 5.036 -42.615 -2.077 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.479 -43.988 -4.528 1.00 0.00 H new ATOM 0 HG13 ILE A 41 3.196 -42.800 -4.417 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.265 -45.012 -2.698 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.407 -44.792 -1.155 1.00 0.00 H new ATOM 0 HG23 ILE A 41 3.494 -45.173 -2.635 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.191 -41.837 -5.501 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.859 -41.027 -3.951 1.00 0.00 H new ATOM 0 HD13 ILE A 41 6.162 -42.234 -4.063 1.00 0.00 H new ATOM 669 N LYS A 42 1.415 -43.084 -0.211 1.00 0.00 N ATOM 670 CA LYS A 42 0.724 -43.336 1.059 1.00 0.00 C ATOM 671 C LYS A 42 0.552 -44.817 1.462 1.00 0.00 C ATOM 672 O LYS A 42 -0.117 -45.099 2.458 1.00 0.00 O ATOM 673 CB LYS A 42 -0.674 -42.648 0.978 1.00 0.00 C ATOM 674 CG LYS A 42 -0.679 -41.142 1.319 1.00 0.00 C ATOM 675 CD LYS A 42 -0.633 -40.890 2.844 1.00 0.00 C ATOM 676 CE LYS A 42 -0.658 -39.407 3.224 1.00 0.00 C ATOM 677 NZ LYS A 42 0.636 -38.811 2.913 1.00 0.00 N ATOM 0 H LYS A 42 0.767 -43.069 -0.998 1.00 0.00 H new ATOM 0 HA LYS A 42 1.363 -42.924 1.840 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -1.069 -42.779 -0.029 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -1.355 -43.161 1.657 1.00 0.00 H new ATOM 0 HG2 LYS A 42 0.178 -40.661 0.847 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -1.574 -40.680 0.903 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -1.481 -41.390 3.312 1.00 0.00 H new ATOM 0 HD3 LYS A 42 0.270 -41.345 3.251 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -1.449 -38.893 2.679 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -0.878 -39.295 4.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 0.588 -37.782 3.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 1.363 -39.215 3.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 0.881 -39.011 1.922 1.00 0.00 H new ATOM 691 N ILE A 43 1.155 -45.771 0.737 1.00 0.00 N ATOM 692 CA ILE A 43 0.868 -47.209 0.866 1.00 0.00 C ATOM 693 C ILE A 43 1.279 -47.813 2.231 1.00 0.00 C ATOM 694 O ILE A 43 0.573 -48.681 2.751 1.00 0.00 O ATOM 695 CB ILE A 43 1.496 -47.965 -0.360 1.00 0.00 C ATOM 696 CG1 ILE A 43 1.042 -47.428 -1.756 1.00 0.00 C ATOM 697 CG2 ILE A 43 1.329 -49.506 -0.324 1.00 0.00 C ATOM 698 CD1 ILE A 43 -0.476 -47.473 -2.063 1.00 0.00 C ATOM 0 H ILE A 43 1.865 -45.563 0.035 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.214 -47.342 0.849 1.00 0.00 H new ATOM 0 HB ILE A 43 2.556 -47.740 -0.241 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.376 -46.395 -1.847 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.561 -48.000 -2.525 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.792 -49.943 -1.209 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.809 -49.903 0.571 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.268 -49.757 -0.309 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -0.657 -47.073 -3.061 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -0.826 -48.504 -2.016 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -1.014 -46.874 -1.328 1.00 0.00 H new ATOM 710 N GLY A 44 2.385 -47.369 2.849 1.00 0.00 N ATOM 711 CA GLY A 44 2.754 -47.798 4.207 1.00 0.00 C ATOM 712 C GLY A 44 3.976 -47.073 4.816 1.00 0.00 C ATOM 713 O GLY A 44 4.797 -46.578 4.038 1.00 0.00 O ATOM 0 H GLY A 44 3.041 -46.711 2.428 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.897 -47.647 4.864 1.00 0.00 H new ATOM 0 HA3 GLY A 44 2.958 -48.869 4.190 1.00 0.00 H new ATOM 717 N PRO A 45 4.171 -46.987 6.160 1.00 0.00 N ATOM 718 CA PRO A 45 5.369 -46.403 6.808 1.00 0.00 C ATOM 719 C PRO A 45 6.727 -46.960 6.329 1.00 0.00 C ATOM 720 O PRO A 45 7.655 -46.207 6.015 1.00 0.00 O ATOM 721 CB PRO A 45 5.150 -46.710 8.300 1.00 0.00 C ATOM 722 CG PRO A 45 3.646 -46.632 8.425 1.00 0.00 C ATOM 723 CD PRO A 45 3.176 -47.365 7.172 1.00 0.00 C ATOM 0 HA PRO A 45 5.448 -45.344 6.562 1.00 0.00 H new ATOM 0 HB2 PRO A 45 5.531 -47.694 8.573 1.00 0.00 H new ATOM 0 HB3 PRO A 45 5.650 -45.985 8.942 1.00 0.00 H new ATOM 0 HG2 PRO A 45 3.288 -47.113 9.335 1.00 0.00 H new ATOM 0 HG3 PRO A 45 3.293 -45.601 8.449 1.00 0.00 H new ATOM 0 HD2 PRO A 45 3.149 -48.444 7.325 1.00 0.00 H new ATOM 0 HD3 PRO A 45 2.171 -47.059 6.881 1.00 0.00 H new ATOM 731 N LYS A 46 6.822 -48.294 6.247 1.00 0.00 N ATOM 732 CA LYS A 46 8.012 -48.987 5.753 1.00 0.00 C ATOM 733 C LYS A 46 8.208 -48.829 4.223 1.00 0.00 C ATOM 734 O LYS A 46 9.339 -48.884 3.733 1.00 0.00 O ATOM 735 CB LYS A 46 7.930 -50.465 6.203 1.00 0.00 C ATOM 736 CG LYS A 46 9.308 -51.152 6.160 1.00 0.00 C ATOM 737 CD LYS A 46 9.241 -52.644 6.529 1.00 0.00 C ATOM 738 CE LYS A 46 10.608 -53.339 6.534 1.00 0.00 C ATOM 739 NZ LYS A 46 11.231 -53.217 5.219 1.00 0.00 N ATOM 0 H LYS A 46 6.069 -48.923 6.524 1.00 0.00 H new ATOM 0 HA LYS A 46 8.903 -48.530 6.184 1.00 0.00 H new ATOM 0 HB2 LYS A 46 7.530 -50.515 7.216 1.00 0.00 H new ATOM 0 HB3 LYS A 46 7.235 -51.003 5.559 1.00 0.00 H new ATOM 0 HG2 LYS A 46 9.730 -51.048 5.160 1.00 0.00 H new ATOM 0 HG3 LYS A 46 9.985 -50.643 6.846 1.00 0.00 H new ATOM 0 HD2 LYS A 46 8.788 -52.745 7.515 1.00 0.00 H new ATOM 0 HD3 LYS A 46 8.586 -53.155 5.823 1.00 0.00 H new ATOM 0 HE2 LYS A 46 11.250 -52.893 7.293 1.00 0.00 H new ATOM 0 HE3 LYS A 46 10.490 -54.391 6.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 11.745 -54.093 4.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 10.497 -53.053 4.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 11.896 -52.417 5.223 1.00 0.00 H new ATOM 753 N CYS A 47 7.111 -48.591 3.480 1.00 0.00 N ATOM 754 CA CYS A 47 7.137 -48.207 2.065 1.00 0.00 C ATOM 755 C CYS A 47 7.807 -46.830 1.922 1.00 0.00 C ATOM 756 O CYS A 47 8.834 -46.766 1.243 1.00 0.00 O ATOM 757 CB CYS A 47 5.681 -48.196 1.517 1.00 0.00 C ATOM 758 SG CYS A 47 5.341 -48.090 -0.265 1.00 0.00 S ATOM 0 H CYS A 47 6.166 -48.663 3.858 1.00 0.00 H new ATOM 0 HA CYS A 47 7.717 -48.924 1.483 1.00 0.00 H new ATOM 0 HB2 CYS A 47 5.199 -49.104 1.878 1.00 0.00 H new ATOM 0 HB3 CYS A 47 5.171 -47.356 1.988 1.00 0.00 H new ATOM 763 N VAL A 48 7.292 -45.752 2.560 1.00 0.00 N ATOM 764 CA VAL A 48 7.978 -44.454 2.619 1.00 0.00 C ATOM 765 C VAL A 48 9.453 -44.532 3.044 1.00 0.00 C ATOM 766 O VAL A 48 10.280 -43.836 2.463 1.00 0.00 O ATOM 767 CB VAL A 48 7.280 -43.387 3.531 1.00 0.00 C ATOM 768 CG1 VAL A 48 7.135 -42.111 2.737 1.00 0.00 C ATOM 769 CG2 VAL A 48 5.886 -43.711 4.040 1.00 0.00 C ATOM 0 H VAL A 48 6.394 -45.765 3.043 1.00 0.00 H new ATOM 0 HA VAL A 48 7.918 -44.132 1.579 1.00 0.00 H new ATOM 0 HB VAL A 48 7.925 -43.332 4.408 1.00 0.00 H new ATOM 0 HG11 VAL A 48 6.651 -41.353 3.352 1.00 0.00 H new ATOM 0 HG12 VAL A 48 8.120 -41.757 2.434 1.00 0.00 H new ATOM 0 HG13 VAL A 48 6.529 -42.301 1.851 1.00 0.00 H new ATOM 0 HG21 VAL A 48 5.524 -42.889 4.657 1.00 0.00 H new ATOM 0 HG22 VAL A 48 5.214 -43.853 3.194 1.00 0.00 H new ATOM 0 HG23 VAL A 48 5.919 -44.624 4.635 1.00 0.00 H new ATOM 779 N LYS A 49 9.784 -45.360 4.044 1.00 0.00 N ATOM 780 CA LYS A 49 11.173 -45.601 4.468 1.00 0.00 C ATOM 781 C LYS A 49 12.102 -46.234 3.389 1.00 0.00 C ATOM 782 O LYS A 49 13.156 -45.649 3.089 1.00 0.00 O ATOM 783 CB LYS A 49 11.100 -46.419 5.775 1.00 0.00 C ATOM 784 CG LYS A 49 12.434 -46.503 6.531 1.00 0.00 C ATOM 785 CD LYS A 49 12.275 -46.978 7.997 1.00 0.00 C ATOM 786 CE LYS A 49 11.854 -48.439 8.198 1.00 0.00 C ATOM 787 NZ LYS A 49 12.956 -49.326 7.846 1.00 0.00 N ATOM 0 H LYS A 49 9.095 -45.884 4.584 1.00 0.00 H new ATOM 0 HA LYS A 49 11.663 -44.642 4.634 1.00 0.00 H new ATOM 0 HB2 LYS A 49 10.350 -45.974 6.429 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.761 -47.429 5.542 1.00 0.00 H new ATOM 0 HG2 LYS A 49 13.100 -47.186 6.005 1.00 0.00 H new ATOM 0 HG3 LYS A 49 12.911 -45.523 6.523 1.00 0.00 H new ATOM 0 HD2 LYS A 49 13.223 -46.822 8.512 1.00 0.00 H new ATOM 0 HD3 LYS A 49 11.538 -46.340 8.485 1.00 0.00 H new ATOM 0 HE2 LYS A 49 11.561 -48.603 9.235 1.00 0.00 H new ATOM 0 HE3 LYS A 49 10.984 -48.664 7.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 12.675 -50.313 8.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 13.194 -49.202 6.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 13.786 -49.096 8.429 1.00 0.00 H new ATOM 801 N ALA A 50 11.735 -47.387 2.786 1.00 0.00 N ATOM 802 CA ALA A 50 12.401 -47.966 1.597 1.00 0.00 C ATOM 803 C ALA A 50 12.485 -46.918 0.455 1.00 0.00 C ATOM 804 O ALA A 50 13.576 -46.675 -0.072 1.00 0.00 O ATOM 805 CB ALA A 50 11.608 -49.242 1.189 1.00 0.00 C ATOM 0 H ALA A 50 10.953 -47.952 3.118 1.00 0.00 H new ATOM 0 HA ALA A 50 13.431 -48.246 1.819 1.00 0.00 H new ATOM 0 HB1 ALA A 50 12.073 -49.695 0.313 1.00 0.00 H new ATOM 0 HB2 ALA A 50 11.616 -49.955 2.014 1.00 0.00 H new ATOM 0 HB3 ALA A 50 10.579 -48.971 0.954 1.00 0.00 H new ATOM 811 N PHE A 51 11.365 -46.226 0.157 1.00 0.00 N ATOM 812 CA PHE A 51 11.278 -45.131 -0.823 1.00 0.00 C ATOM 813 C PHE A 51 12.303 -44.012 -0.552 1.00 0.00 C ATOM 814 O PHE A 51 13.077 -43.675 -1.445 1.00 0.00 O ATOM 815 CB PHE A 51 9.833 -44.538 -0.747 1.00 0.00 C ATOM 816 CG PHE A 51 9.401 -43.705 -1.962 1.00 0.00 C ATOM 817 CD1 PHE A 51 10.024 -42.525 -2.341 1.00 0.00 C ATOM 818 CD2 PHE A 51 8.411 -44.180 -2.797 1.00 0.00 C ATOM 819 CE1 PHE A 51 9.708 -41.880 -3.519 1.00 0.00 C ATOM 820 CE2 PHE A 51 8.088 -43.550 -3.963 1.00 0.00 C ATOM 821 CZ PHE A 51 8.742 -42.401 -4.346 1.00 0.00 C ATOM 0 H PHE A 51 10.471 -46.423 0.607 1.00 0.00 H new ATOM 0 HA PHE A 51 11.500 -45.532 -1.812 1.00 0.00 H new ATOM 0 HB2 PHE A 51 9.127 -45.359 -0.621 1.00 0.00 H new ATOM 0 HB3 PHE A 51 9.760 -43.915 0.144 1.00 0.00 H new ATOM 0 HD1 PHE A 51 10.778 -42.099 -1.696 1.00 0.00 H new ATOM 0 HD2 PHE A 51 7.876 -45.076 -2.520 1.00 0.00 H new ATOM 0 HE1 PHE A 51 10.219 -40.968 -3.791 1.00 0.00 H new ATOM 0 HE2 PHE A 51 7.311 -43.957 -4.593 1.00 0.00 H new ATOM 0 HZ PHE A 51 8.500 -41.917 -5.281 1.00 0.00 H new ATOM 831 N LYS A 52 12.306 -43.446 0.665 1.00 0.00 N ATOM 832 CA LYS A 52 13.196 -42.366 1.099 1.00 0.00 C ATOM 833 C LYS A 52 14.687 -42.718 0.946 1.00 0.00 C ATOM 834 O LYS A 52 15.450 -41.926 0.382 1.00 0.00 O ATOM 835 CB LYS A 52 12.844 -42.109 2.588 1.00 0.00 C ATOM 836 CG LYS A 52 13.573 -40.993 3.361 1.00 0.00 C ATOM 837 CD LYS A 52 13.120 -41.081 4.839 1.00 0.00 C ATOM 838 CE LYS A 52 13.746 -40.076 5.809 1.00 0.00 C ATOM 839 NZ LYS A 52 15.189 -40.279 5.865 1.00 0.00 N ATOM 0 H LYS A 52 11.663 -43.742 1.399 1.00 0.00 H new ATOM 0 HA LYS A 52 13.048 -41.483 0.477 1.00 0.00 H new ATOM 0 HB2 LYS A 52 11.776 -41.897 2.639 1.00 0.00 H new ATOM 0 HB3 LYS A 52 13.010 -43.041 3.128 1.00 0.00 H new ATOM 0 HG2 LYS A 52 14.653 -41.115 3.283 1.00 0.00 H new ATOM 0 HG3 LYS A 52 13.331 -40.016 2.943 1.00 0.00 H new ATOM 0 HD2 LYS A 52 12.038 -40.957 4.871 1.00 0.00 H new ATOM 0 HD3 LYS A 52 13.337 -42.086 5.202 1.00 0.00 H new ATOM 0 HE2 LYS A 52 13.525 -39.059 5.487 1.00 0.00 H new ATOM 0 HE3 LYS A 52 13.313 -40.197 6.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 15.519 -40.159 6.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 15.417 -41.240 5.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 15.661 -39.584 5.253 1.00 0.00 H new ATOM 853 N ASP A 53 15.090 -43.921 1.395 1.00 0.00 N ATOM 854 CA ASP A 53 16.483 -44.359 1.268 1.00 0.00 C ATOM 855 C ASP A 53 16.931 -44.577 -0.202 1.00 0.00 C ATOM 856 O ASP A 53 17.991 -44.086 -0.634 1.00 0.00 O ATOM 857 CB ASP A 53 16.701 -45.592 2.195 1.00 0.00 C ATOM 858 CG ASP A 53 16.550 -45.284 3.693 1.00 0.00 C ATOM 859 OD1 ASP A 53 16.666 -44.132 4.117 1.00 0.00 O ATOM 860 OD2 ASP A 53 16.347 -46.234 4.452 1.00 0.00 O ATOM 0 H ASP A 53 14.474 -44.598 1.844 1.00 0.00 H new ATOM 0 HA ASP A 53 17.143 -43.559 1.604 1.00 0.00 H new ATOM 0 HB2 ASP A 53 15.988 -46.370 1.921 1.00 0.00 H new ATOM 0 HB3 ASP A 53 17.698 -45.996 2.017 1.00 0.00 H new ATOM 865 N CYS A 54 16.113 -45.285 -0.997 1.00 0.00 N ATOM 866 CA CYS A 54 16.309 -45.365 -2.448 1.00 0.00 C ATOM 867 C CYS A 54 16.230 -44.007 -3.185 1.00 0.00 C ATOM 868 O CYS A 54 16.955 -43.830 -4.166 1.00 0.00 O ATOM 869 CB CYS A 54 15.306 -46.357 -3.050 1.00 0.00 C ATOM 870 SG CYS A 54 15.824 -48.093 -3.152 1.00 0.00 S ATOM 0 H CYS A 54 15.308 -45.811 -0.655 1.00 0.00 H new ATOM 0 HA CYS A 54 17.331 -45.713 -2.595 1.00 0.00 H new ATOM 0 HB2 CYS A 54 14.390 -46.311 -2.462 1.00 0.00 H new ATOM 0 HB3 CYS A 54 15.057 -46.018 -4.056 1.00 0.00 H new ATOM 875 N CYS A 55 15.387 -43.049 -2.762 1.00 0.00 N ATOM 876 CA CYS A 55 15.366 -41.683 -3.309 1.00 0.00 C ATOM 877 C CYS A 55 16.663 -40.897 -3.005 1.00 0.00 C ATOM 878 O CYS A 55 17.087 -40.082 -3.835 1.00 0.00 O ATOM 879 CB CYS A 55 14.104 -40.926 -2.811 1.00 0.00 C ATOM 880 SG CYS A 55 13.302 -39.900 -4.076 1.00 0.00 S ATOM 0 H CYS A 55 14.697 -43.203 -2.026 1.00 0.00 H new ATOM 0 HA CYS A 55 15.317 -41.765 -4.395 1.00 0.00 H new ATOM 0 HB2 CYS A 55 13.382 -41.653 -2.438 1.00 0.00 H new ATOM 0 HB3 CYS A 55 14.383 -40.292 -1.969 1.00 0.00 H new ATOM 885 N TYR A 56 17.314 -41.122 -1.846 1.00 0.00 N ATOM 886 CA TYR A 56 18.705 -40.692 -1.633 1.00 0.00 C ATOM 887 C TYR A 56 19.673 -41.308 -2.659 1.00 0.00 C ATOM 888 O TYR A 56 20.471 -40.564 -3.236 1.00 0.00 O ATOM 889 CB TYR A 56 19.243 -41.038 -0.217 1.00 0.00 C ATOM 890 CG TYR A 56 18.474 -40.412 0.956 1.00 0.00 C ATOM 891 CD1 TYR A 56 17.882 -39.157 0.911 1.00 0.00 C ATOM 892 CD2 TYR A 56 18.363 -41.121 2.139 1.00 0.00 C ATOM 893 CE1 TYR A 56 17.204 -38.642 1.997 1.00 0.00 C ATOM 894 CE2 TYR A 56 17.687 -40.616 3.228 1.00 0.00 C ATOM 895 CZ TYR A 56 17.107 -39.377 3.152 1.00 0.00 C ATOM 896 OH TYR A 56 16.428 -38.893 4.225 1.00 0.00 O ATOM 0 H TYR A 56 16.897 -41.598 -1.046 1.00 0.00 H new ATOM 0 HA TYR A 56 18.670 -39.609 -1.751 1.00 0.00 H new ATOM 0 HB2 TYR A 56 19.232 -42.121 -0.098 1.00 0.00 H new ATOM 0 HB3 TYR A 56 20.284 -40.721 -0.156 1.00 0.00 H new ATOM 0 HD1 TYR A 56 17.954 -38.571 0.007 1.00 0.00 H new ATOM 0 HD2 TYR A 56 18.819 -42.097 2.211 1.00 0.00 H new ATOM 0 HE1 TYR A 56 16.751 -37.663 1.938 1.00 0.00 H new ATOM 0 HE2 TYR A 56 17.615 -41.194 4.137 1.00 0.00 H new ATOM 0 HH TYR A 56 15.707 -38.305 3.918 1.00 0.00 H new ATOM 906 N ILE A 57 19.628 -42.634 -2.894 1.00 0.00 N ATOM 907 CA ILE A 57 20.448 -43.269 -3.954 1.00 0.00 C ATOM 908 C ILE A 57 20.163 -42.740 -5.370 1.00 0.00 C ATOM 909 O ILE A 57 21.095 -42.517 -6.148 1.00 0.00 O ATOM 910 CB ILE A 57 20.350 -44.829 -3.906 1.00 0.00 C ATOM 911 CG1 ILE A 57 20.740 -45.396 -2.528 1.00 0.00 C ATOM 912 CG2 ILE A 57 21.155 -45.581 -5.000 1.00 0.00 C ATOM 913 CD1 ILE A 57 22.047 -44.851 -1.921 1.00 0.00 C ATOM 0 H ILE A 57 19.040 -43.284 -2.372 1.00 0.00 H new ATOM 0 HA ILE A 57 21.475 -42.980 -3.730 1.00 0.00 H new ATOM 0 HB ILE A 57 19.295 -45.013 -4.107 1.00 0.00 H new ATOM 0 HG12 ILE A 57 19.927 -45.195 -1.831 1.00 0.00 H new ATOM 0 HG13 ILE A 57 20.826 -46.479 -2.614 1.00 0.00 H new ATOM 0 HG21 ILE A 57 21.019 -46.656 -4.878 1.00 0.00 H new ATOM 0 HG22 ILE A 57 20.799 -45.280 -5.985 1.00 0.00 H new ATOM 0 HG23 ILE A 57 22.213 -45.336 -4.906 1.00 0.00 H new ATOM 0 HD11 ILE A 57 22.221 -45.319 -0.952 1.00 0.00 H new ATOM 0 HD12 ILE A 57 22.879 -45.076 -2.588 1.00 0.00 H new ATOM 0 HD13 ILE A 57 21.966 -43.772 -1.793 1.00 0.00 H new ATOM 925 N ALA A 58 18.882 -42.529 -5.680 1.00 0.00 N ATOM 926 CA ALA A 58 18.445 -41.864 -6.913 1.00 0.00 C ATOM 927 C ALA A 58 19.079 -40.470 -7.098 1.00 0.00 C ATOM 928 O ALA A 58 19.642 -40.193 -8.160 1.00 0.00 O ATOM 929 CB ALA A 58 16.918 -41.759 -6.929 1.00 0.00 C ATOM 0 H ALA A 58 18.111 -42.817 -5.078 1.00 0.00 H new ATOM 0 HA ALA A 58 18.785 -42.475 -7.749 1.00 0.00 H new ATOM 0 HB1 ALA A 58 16.597 -41.265 -7.846 1.00 0.00 H new ATOM 0 HB2 ALA A 58 16.484 -42.758 -6.884 1.00 0.00 H new ATOM 0 HB3 ALA A 58 16.584 -41.179 -6.068 1.00 0.00 H new ATOM 935 N ASN A 59 19.019 -39.604 -6.072 1.00 0.00 N ATOM 936 CA ASN A 59 19.739 -38.325 -6.067 1.00 0.00 C ATOM 937 C ASN A 59 21.272 -38.480 -6.142 1.00 0.00 C ATOM 938 O ASN A 59 21.908 -37.707 -6.863 1.00 0.00 O ATOM 939 CB ASN A 59 19.328 -37.476 -4.837 1.00 0.00 C ATOM 940 CG ASN A 59 17.937 -36.873 -5.024 1.00 0.00 C ATOM 941 OD1 ASN A 59 17.797 -35.685 -5.278 1.00 0.00 O ATOM 942 ND2 ASN A 59 16.859 -37.623 -4.914 1.00 0.00 N ATOM 0 H ASN A 59 18.472 -39.772 -5.228 1.00 0.00 H new ATOM 0 HA ASN A 59 19.446 -37.804 -6.978 1.00 0.00 H new ATOM 0 HB2 ASN A 59 19.341 -38.098 -3.942 1.00 0.00 H new ATOM 0 HB3 ASN A 59 20.055 -36.679 -4.682 1.00 0.00 H new ATOM 0 HD21 ASN A 59 15.935 -37.210 -5.040 1.00 0.00 H new ATOM 0 HD22 ASN A 59 16.949 -38.617 -4.703 1.00 0.00 H new ATOM 949 N GLN A 60 21.875 -39.454 -5.437 1.00 0.00 N ATOM 950 CA GLN A 60 23.300 -39.772 -5.582 1.00 0.00 C ATOM 951 C GLN A 60 23.702 -40.219 -6.998 1.00 0.00 C ATOM 952 O GLN A 60 24.634 -39.621 -7.533 1.00 0.00 O ATOM 953 CB GLN A 60 23.771 -40.832 -4.563 1.00 0.00 C ATOM 954 CG GLN A 60 23.845 -40.309 -3.108 1.00 0.00 C ATOM 955 CD GLN A 60 24.573 -41.311 -2.212 1.00 0.00 C ATOM 956 OE1 GLN A 60 24.005 -41.882 -1.287 1.00 0.00 O ATOM 957 NE2 GLN A 60 25.851 -41.560 -2.434 1.00 0.00 N ATOM 0 H GLN A 60 21.389 -40.037 -4.756 1.00 0.00 H new ATOM 0 HA GLN A 60 23.803 -38.826 -5.381 1.00 0.00 H new ATOM 0 HB2 GLN A 60 23.092 -41.684 -4.599 1.00 0.00 H new ATOM 0 HB3 GLN A 60 24.755 -41.196 -4.859 1.00 0.00 H new ATOM 0 HG2 GLN A 60 24.363 -39.350 -3.086 1.00 0.00 H new ATOM 0 HG3 GLN A 60 22.839 -40.136 -2.726 1.00 0.00 H new ATOM 0 HE21 GLN A 60 26.336 -41.092 -3.200 1.00 0.00 H new ATOM 0 HE22 GLN A 60 26.353 -42.220 -1.840 1.00 0.00 H new ATOM 966 N VAL A 61 23.060 -41.214 -7.637 1.00 0.00 N ATOM 967 CA VAL A 61 23.433 -41.642 -8.998 1.00 0.00 C ATOM 968 C VAL A 61 23.165 -40.583 -10.088 1.00 0.00 C ATOM 969 O VAL A 61 23.876 -40.560 -11.095 1.00 0.00 O ATOM 970 CB VAL A 61 22.864 -43.039 -9.402 1.00 0.00 C ATOM 971 CG1 VAL A 61 23.381 -44.149 -8.467 1.00 0.00 C ATOM 972 CG2 VAL A 61 21.328 -43.113 -9.479 1.00 0.00 C ATOM 0 H VAL A 61 22.282 -41.736 -7.234 1.00 0.00 H new ATOM 0 HA VAL A 61 24.516 -41.754 -8.940 1.00 0.00 H new ATOM 0 HB VAL A 61 23.234 -43.196 -10.415 1.00 0.00 H new ATOM 0 HG11 VAL A 61 22.966 -45.108 -8.776 1.00 0.00 H new ATOM 0 HG12 VAL A 61 24.469 -44.191 -8.519 1.00 0.00 H new ATOM 0 HG13 VAL A 61 23.075 -43.934 -7.443 1.00 0.00 H new ATOM 0 HG21 VAL A 61 21.026 -44.120 -9.766 1.00 0.00 H new ATOM 0 HG22 VAL A 61 20.903 -42.871 -8.505 1.00 0.00 H new ATOM 0 HG23 VAL A 61 20.966 -42.401 -10.220 1.00 0.00 H new ATOM 982 N ARG A 62 22.157 -39.709 -9.927 1.00 0.00 N ATOM 983 CA ARG A 62 21.991 -38.527 -10.783 1.00 0.00 C ATOM 984 C ARG A 62 23.073 -37.443 -10.576 1.00 0.00 C ATOM 985 O ARG A 62 23.434 -36.766 -11.541 1.00 0.00 O ATOM 986 CB ARG A 62 20.567 -37.957 -10.599 1.00 0.00 C ATOM 987 CG ARG A 62 19.499 -38.887 -11.232 1.00 0.00 C ATOM 988 CD ARG A 62 18.073 -38.576 -10.765 1.00 0.00 C ATOM 989 NE ARG A 62 17.670 -37.261 -11.269 1.00 0.00 N ATOM 990 CZ ARG A 62 16.809 -37.036 -12.225 1.00 0.00 C ATOM 991 NH1 ARG A 62 16.180 -37.937 -12.883 1.00 0.00 N ATOM 992 NH2 ARG A 62 16.554 -35.823 -12.510 1.00 0.00 N ATOM 0 H ARG A 62 21.441 -39.802 -9.206 1.00 0.00 H new ATOM 0 HA ARG A 62 22.125 -38.855 -11.814 1.00 0.00 H new ATOM 0 HB2 ARG A 62 20.358 -37.831 -9.537 1.00 0.00 H new ATOM 0 HB3 ARG A 62 20.507 -36.969 -11.055 1.00 0.00 H new ATOM 0 HG2 ARG A 62 19.546 -38.798 -12.317 1.00 0.00 H new ATOM 0 HG3 ARG A 62 19.737 -39.922 -10.987 1.00 0.00 H new ATOM 0 HD2 ARG A 62 17.386 -39.342 -11.125 1.00 0.00 H new ATOM 0 HD3 ARG A 62 18.024 -38.591 -9.676 1.00 0.00 H new ATOM 0 HE ARG A 62 18.102 -36.446 -10.833 1.00 0.00 H new ATOM 0 HH11 ARG A 62 16.336 -38.923 -12.674 1.00 0.00 H new ATOM 0 HH12 ARG A 62 15.523 -37.668 -13.616 1.00 0.00 H new ATOM 0 HH21 ARG A 62 17.016 -35.071 -11.999 1.00 0.00 H new ATOM 0 HH22 ARG A 62 15.888 -35.602 -13.250 1.00 0.00 H new ATOM 1006 N ALA A 63 23.588 -37.238 -9.353 1.00 0.00 N ATOM 1007 CA ALA A 63 24.730 -36.351 -9.105 1.00 0.00 C ATOM 1008 C ALA A 63 26.101 -37.001 -9.393 1.00 0.00 C ATOM 1009 O ALA A 63 26.902 -36.431 -10.138 1.00 0.00 O ATOM 1010 CB ALA A 63 24.651 -35.841 -7.652 1.00 0.00 C ATOM 0 H ALA A 63 23.223 -37.683 -8.511 1.00 0.00 H new ATOM 0 HA ALA A 63 24.660 -35.520 -9.807 1.00 0.00 H new ATOM 0 HB1 ALA A 63 25.494 -35.180 -7.452 1.00 0.00 H new ATOM 0 HB2 ALA A 63 23.719 -35.294 -7.508 1.00 0.00 H new ATOM 0 HB3 ALA A 63 24.684 -36.688 -6.967 1.00 0.00 H new ATOM 1016 N GLU A 64 26.404 -38.193 -8.852 1.00 0.00 N ATOM 1017 CA GLU A 64 27.703 -38.861 -9.017 1.00 0.00 C ATOM 1018 C GLU A 64 27.823 -39.589 -10.380 1.00 0.00 C ATOM 1019 O GLU A 64 27.989 -40.807 -10.483 1.00 0.00 O ATOM 1020 CB GLU A 64 27.934 -39.828 -7.817 1.00 0.00 C ATOM 1021 CG GLU A 64 28.007 -39.106 -6.435 1.00 0.00 C ATOM 1022 CD GLU A 64 28.183 -40.082 -5.269 1.00 0.00 C ATOM 1023 OE1 GLU A 64 29.307 -40.514 -5.028 1.00 0.00 O ATOM 1024 OE2 GLU A 64 27.196 -40.385 -4.598 1.00 0.00 O ATOM 0 H GLU A 64 25.746 -38.724 -8.282 1.00 0.00 H new ATOM 0 HA GLU A 64 28.487 -38.104 -9.020 1.00 0.00 H new ATOM 0 HB2 GLU A 64 27.128 -40.561 -7.792 1.00 0.00 H new ATOM 0 HB3 GLU A 64 28.861 -40.379 -7.979 1.00 0.00 H new ATOM 0 HG2 GLU A 64 28.838 -38.400 -6.442 1.00 0.00 H new ATOM 0 HG3 GLU A 64 27.097 -38.526 -6.284 1.00 0.00 H new