USER MOD reduce.3.24.130724 H: found=0, std=0, add=1136, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1136 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 92 LYS NZ :NH3+ -144:sc= 0.303 (180deg=0.0492) USER MOD Set 1.2: A 180 SER OG : rot -67:sc= 0.806 USER MOD Set 2.1: A 28 MET CE :methyl 162:sc= -0.0124 (180deg=-0.177) USER MOD Set 2.2: A 40 TYR OH : rot 180:sc=-0.00273 USER MOD Set 2.3: A 91 MET CE :methyl 164:sc= -2.33 (180deg=-2.36) USER MOD Set 2.4: A 110 MET CE :methyl -150:sc= -1.34 (180deg=-3.65!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -0.565 X(o=-0.56,f=-0.088) USER MOD Single : A 19 THR OG1 : rot 86:sc= 0.26 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -146:sc= 0 (180deg=-0.667) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 43 MET CE :methyl 160:sc= -0.753 (180deg=-1.18) USER MOD Single : A 45 LYS NZ :NH3+ -121:sc= -0.385 (180deg=-0.388) USER MOD Single : A 53 THR OG1 : rot 88:sc= 1.19 USER MOD Single : A 57 THR OG1 : rot -37:sc= -0.61 USER MOD Single : A 61 SER OG : rot -72:sc= 0.332 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot -49:sc= 0.137 USER MOD Single : A 70 HIS : no HD1:sc= -0.0281 K(o=-0.028,f=-1.2) USER MOD Single : A 75 MET CE :methyl -171:sc= 0 (180deg=-0.0793) USER MOD Single : A 77 GLN : amide:sc= -0.0477 K(o=-0.048,f=-1.6!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= -1.43 K(o=-1.4,f=-2.2!) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= -0.0833 K(o=-0.083,f=-0.68) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=-0.079) USER MOD Single : A 96 GLN : amide:sc= -0.0773 K(o=-0.077,f=-0.59) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl -176:sc= -1.86 (180deg=-1.95) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0.0944 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= -0.205 X(o=-0.21,f=-0.21) USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 106 TYR OH : rot 30:sc= -3.83! USER MOD Single : A 107 LYS NZ :NH3+ 145:sc= 1.41 (180deg=0.0948) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 GLN : amide:sc= -0.0551 X(o=-0.055,f=-0.46) USER MOD Single : A 112 THR OG1 : rot 180:sc= 0.00393 USER MOD Single : A 115 HIS : no HD1:sc= -0.163 K(o=-0.16,f=-0.95) USER MOD Single : A 122 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.0913) USER MOD Single : A 123 ASN : amide:sc= -0.299 K(o=-0.3,f=-0.84) USER MOD Single : A 130 GLN : amide:sc= -0.123 X(o=-0.12,f=-0.57) USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 135 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 137 SER OG : rot 180:sc= 0 USER MOD Single : A 171 THR OG1 : rot 180:sc= 0.138 USER MOD Single : A 178 MET CE :methyl -156:sc= -0.105 (180deg=-0.59) USER MOD Single : A 182 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 122 N ASP A 12 5.164 12.355 -13.625 1.00 70.44 N ATOM 123 CA ASP A 12 4.124 13.361 -13.802 1.00 50.45 C ATOM 124 C ASP A 12 4.255 14.467 -12.760 1.00 13.04 C ATOM 125 O ASP A 12 3.852 15.607 -12.993 1.00 65.14 O ATOM 126 CB ASP A 12 2.740 12.717 -13.710 1.00 52.32 C ATOM 127 CG ASP A 12 1.990 12.766 -15.027 1.00 32.41 C ATOM 128 OD1 ASP A 12 2.571 12.362 -16.055 1.00 62.25 O ATOM 129 OD2 ASP A 12 0.822 13.208 -15.029 1.00 13.01 O ATOM 0 HA ASP A 12 4.245 13.803 -14.791 1.00 50.45 H new ATOM 0 HB2 ASP A 12 2.846 11.679 -13.394 1.00 52.32 H new ATOM 0 HB3 ASP A 12 2.156 13.226 -12.943 1.00 52.32 H new ATOM 134 N LYS A 13 4.819 14.122 -11.607 1.00 51.41 N ATOM 135 CA LYS A 13 5.003 15.084 -10.527 1.00 45.51 C ATOM 136 C LYS A 13 6.053 16.126 -10.900 1.00 42.52 C ATOM 137 O LYS A 13 5.822 17.329 -10.771 1.00 61.23 O ATOM 138 CB LYS A 13 5.418 14.366 -9.241 1.00 73.42 C ATOM 139 CG LYS A 13 5.930 15.301 -8.160 1.00 23.33 C ATOM 140 CD LYS A 13 5.363 14.941 -6.797 1.00 0.13 C ATOM 141 CE LYS A 13 3.915 15.387 -6.660 1.00 61.34 C ATOM 142 NZ LYS A 13 3.810 16.786 -6.163 1.00 41.40 N ATOM 0 H LYS A 13 5.157 13.183 -11.397 1.00 51.41 H new ATOM 0 HA LYS A 13 4.053 15.592 -10.362 1.00 45.51 H new ATOM 0 HB2 LYS A 13 4.564 13.810 -8.854 1.00 73.42 H new ATOM 0 HB3 LYS A 13 6.193 13.637 -9.476 1.00 73.42 H new ATOM 0 HG2 LYS A 13 7.019 15.257 -8.125 1.00 23.33 H new ATOM 0 HG3 LYS A 13 5.660 16.328 -8.408 1.00 23.33 H new ATOM 0 HD2 LYS A 13 5.429 13.863 -6.648 1.00 0.13 H new ATOM 0 HD3 LYS A 13 5.964 15.408 -6.017 1.00 0.13 H new ATOM 0 HE2 LYS A 13 3.417 15.307 -7.626 1.00 61.34 H new ATOM 0 HE3 LYS A 13 3.392 14.718 -5.976 1.00 61.34 H new ATOM 0 HZ1 LYS A 13 2.808 17.052 -6.083 1.00 41.40 H new ATOM 0 HZ2 LYS A 13 4.262 16.858 -5.229 1.00 41.40 H new ATOM 0 HZ3 LYS A 13 4.287 17.428 -6.829 1.00 41.40 H new ATOM 156 N VAL A 14 7.207 15.658 -11.365 1.00 21.45 N ATOM 157 CA VAL A 14 8.291 16.549 -11.759 1.00 3.00 C ATOM 158 C VAL A 14 7.897 17.394 -12.965 1.00 72.11 C ATOM 159 O VAL A 14 8.314 18.545 -13.093 1.00 0.31 O ATOM 160 CB VAL A 14 9.572 15.761 -12.094 1.00 53.34 C ATOM 161 CG1 VAL A 14 10.011 14.923 -10.903 1.00 52.34 C ATOM 162 CG2 VAL A 14 9.353 14.887 -13.320 1.00 42.32 C ATOM 0 H VAL A 14 7.415 14.666 -11.478 1.00 21.45 H new ATOM 0 HA VAL A 14 8.488 17.203 -10.910 1.00 3.00 H new ATOM 0 HB VAL A 14 10.367 16.472 -12.319 1.00 53.34 H new ATOM 0 HG11 VAL A 14 10.917 14.374 -11.159 1.00 52.34 H new ATOM 0 HG12 VAL A 14 10.210 15.575 -10.053 1.00 52.34 H new ATOM 0 HG13 VAL A 14 9.221 14.219 -10.643 1.00 52.34 H new ATOM 0 HG21 VAL A 14 10.267 14.337 -13.543 1.00 42.32 H new ATOM 0 HG22 VAL A 14 8.544 14.183 -13.125 1.00 42.32 H new ATOM 0 HG23 VAL A 14 9.090 15.514 -14.172 1.00 42.32 H new ATOM 172 N TYR A 15 7.090 16.815 -13.847 1.00 62.04 N ATOM 173 CA TYR A 15 6.640 17.514 -15.045 1.00 62.03 C ATOM 174 C TYR A 15 5.593 18.568 -14.700 1.00 34.11 C ATOM 175 O TYR A 15 5.321 19.470 -15.491 1.00 54.20 O ATOM 176 CB TYR A 15 6.066 16.520 -16.056 1.00 33.22 C ATOM 177 CG TYR A 15 5.432 17.179 -17.260 1.00 73.41 C ATOM 178 CD1 TYR A 15 6.099 18.174 -17.964 1.00 23.42 C ATOM 179 CD2 TYR A 15 4.165 16.807 -17.694 1.00 2.03 C ATOM 180 CE1 TYR A 15 5.524 18.779 -19.064 1.00 71.12 C ATOM 181 CE2 TYR A 15 3.583 17.406 -18.794 1.00 33.21 C ATOM 182 CZ TYR A 15 4.266 18.391 -19.476 1.00 13.34 C ATOM 183 OH TYR A 15 3.688 18.991 -20.571 1.00 43.12 O ATOM 0 H TYR A 15 6.734 15.864 -13.755 1.00 62.04 H new ATOM 0 HA TYR A 15 7.501 18.015 -15.487 1.00 62.03 H new ATOM 0 HB2 TYR A 15 6.862 15.856 -16.393 1.00 33.22 H new ATOM 0 HB3 TYR A 15 5.322 15.898 -15.559 1.00 33.22 H new ATOM 0 HD1 TYR A 15 7.085 18.480 -17.645 1.00 23.42 H new ATOM 0 HD2 TYR A 15 3.627 16.037 -17.162 1.00 2.03 H new ATOM 0 HE1 TYR A 15 6.056 19.552 -19.599 1.00 71.12 H new ATOM 0 HE2 TYR A 15 2.598 17.105 -19.118 1.00 33.21 H new ATOM 0 HH TYR A 15 2.802 18.602 -20.728 1.00 43.12 H new ATOM 193 N GLU A 16 5.009 18.446 -13.512 1.00 31.53 N ATOM 194 CA GLU A 16 3.991 19.387 -13.061 1.00 11.21 C ATOM 195 C GLU A 16 4.631 20.611 -12.412 1.00 1.10 C ATOM 196 O GLU A 16 4.351 21.747 -12.793 1.00 60.43 O ATOM 197 CB GLU A 16 3.041 18.710 -12.071 1.00 55.13 C ATOM 198 CG GLU A 16 2.001 17.823 -12.736 1.00 12.25 C ATOM 199 CD GLU A 16 1.523 16.705 -11.830 1.00 24.14 C ATOM 200 OE1 GLU A 16 1.607 16.867 -10.594 1.00 22.50 O ATOM 201 OE2 GLU A 16 1.067 15.669 -12.355 1.00 75.45 O ATOM 0 H GLU A 16 5.224 17.705 -12.845 1.00 31.53 H new ATOM 0 HA GLU A 16 3.424 19.714 -13.932 1.00 11.21 H new ATOM 0 HB2 GLU A 16 3.624 18.111 -11.372 1.00 55.13 H new ATOM 0 HB3 GLU A 16 2.532 19.476 -11.486 1.00 55.13 H new ATOM 0 HG2 GLU A 16 1.148 18.432 -13.037 1.00 12.25 H new ATOM 0 HG3 GLU A 16 2.423 17.394 -13.645 1.00 12.25 H new ATOM 208 N ASN A 17 5.492 20.370 -11.428 1.00 71.25 N ATOM 209 CA ASN A 17 6.171 21.452 -10.725 1.00 64.40 C ATOM 210 C ASN A 17 6.875 22.382 -11.708 1.00 64.01 C ATOM 211 O ASN A 17 6.809 23.604 -11.579 1.00 52.51 O ATOM 212 CB ASN A 17 7.184 20.883 -9.729 1.00 2.11 C ATOM 213 CG ASN A 17 6.968 21.407 -8.322 1.00 72.51 C ATOM 214 OD1 ASN A 17 7.162 22.592 -8.052 1.00 64.31 O ATOM 215 ND2 ASN A 17 6.563 20.522 -7.418 1.00 2.22 N ATOM 0 H ASN A 17 5.736 19.435 -11.100 1.00 71.25 H new ATOM 0 HA ASN A 17 5.421 22.027 -10.182 1.00 64.40 H new ATOM 0 HB2 ASN A 17 7.113 19.795 -9.724 1.00 2.11 H new ATOM 0 HB3 ASN A 17 8.193 21.135 -10.057 1.00 2.11 H new ATOM 0 HD21 ASN A 17 6.400 20.815 -6.455 1.00 2.22 H new ATOM 0 HD22 ASN A 17 6.415 19.549 -7.687 1.00 2.22 H new ATOM 222 N VAL A 18 7.550 21.794 -12.691 1.00 52.34 N ATOM 223 CA VAL A 18 8.265 22.570 -13.698 1.00 31.31 C ATOM 224 C VAL A 18 7.328 23.533 -14.417 1.00 52.24 C ATOM 225 O VAL A 18 7.767 24.525 -15.002 1.00 33.52 O ATOM 226 CB VAL A 18 8.939 21.654 -14.737 1.00 41.41 C ATOM 227 CG1 VAL A 18 10.012 20.800 -14.080 1.00 23.00 C ATOM 228 CG2 VAL A 18 7.903 20.783 -15.431 1.00 10.02 C ATOM 0 H VAL A 18 7.617 20.783 -12.811 1.00 52.34 H new ATOM 0 HA VAL A 18 9.033 23.139 -13.174 1.00 31.31 H new ATOM 0 HB VAL A 18 9.418 22.279 -15.491 1.00 41.41 H new ATOM 0 HG11 VAL A 18 10.477 20.160 -14.830 1.00 23.00 H new ATOM 0 HG12 VAL A 18 10.769 21.446 -13.635 1.00 23.00 H new ATOM 0 HG13 VAL A 18 9.560 20.182 -13.304 1.00 23.00 H new ATOM 0 HG21 VAL A 18 8.397 20.142 -16.162 1.00 10.02 H new ATOM 0 HG22 VAL A 18 7.393 20.165 -14.692 1.00 10.02 H new ATOM 0 HG23 VAL A 18 7.175 21.417 -15.938 1.00 10.02 H new ATOM 238 N THR A 19 6.033 23.236 -14.371 1.00 52.21 N ATOM 239 CA THR A 19 5.033 24.075 -15.019 1.00 15.22 C ATOM 240 C THR A 19 4.519 25.151 -14.069 1.00 40.30 C ATOM 241 O THR A 19 4.448 26.326 -14.427 1.00 2.33 O ATOM 242 CB THR A 19 3.840 23.240 -15.523 1.00 44.42 C ATOM 243 OG1 THR A 19 4.304 22.196 -16.386 1.00 30.54 O ATOM 244 CG2 THR A 19 2.844 24.115 -16.269 1.00 11.34 C ATOM 0 H THR A 19 5.652 22.420 -13.891 1.00 52.21 H new ATOM 0 HA THR A 19 5.522 24.548 -15.870 1.00 15.22 H new ATOM 0 HB THR A 19 3.340 22.803 -14.659 1.00 44.42 H new ATOM 0 HG1 THR A 19 4.561 21.418 -15.849 1.00 30.54 H new ATOM 0 HG21 THR A 19 2.011 23.504 -16.615 1.00 11.34 H new ATOM 0 HG22 THR A 19 2.471 24.892 -15.602 1.00 11.34 H new ATOM 0 HG23 THR A 19 3.335 24.577 -17.125 1.00 11.34 H new ATOM 252 N GLY A 20 4.162 24.742 -12.855 1.00 71.14 N ATOM 253 CA GLY A 20 3.660 25.684 -11.872 1.00 51.15 C ATOM 254 C GLY A 20 4.539 26.913 -11.745 1.00 73.42 C ATOM 255 O GLY A 20 4.054 28.043 -11.817 1.00 35.51 O ATOM 0 H GLY A 20 4.212 23.775 -12.535 1.00 71.14 H new ATOM 0 HA2 GLY A 20 2.651 25.990 -12.148 1.00 51.15 H new ATOM 0 HA3 GLY A 20 3.589 25.190 -10.903 1.00 51.15 H new ATOM 259 N LEU A 21 5.835 26.693 -11.554 1.00 51.42 N ATOM 260 CA LEU A 21 6.784 27.792 -11.415 1.00 3.23 C ATOM 261 C LEU A 21 6.738 28.710 -12.632 1.00 60.33 C ATOM 262 O LEU A 21 6.904 29.924 -12.515 1.00 33.14 O ATOM 263 CB LEU A 21 8.201 27.247 -11.226 1.00 41.21 C ATOM 264 CG LEU A 21 8.730 26.351 -12.346 1.00 61.13 C ATOM 265 CD1 LEU A 21 9.528 27.167 -13.351 1.00 43.01 C ATOM 266 CD2 LEU A 21 9.581 25.227 -11.773 1.00 42.11 C ATOM 0 H LEU A 21 6.253 25.764 -11.492 1.00 51.42 H new ATOM 0 HA LEU A 21 6.504 28.372 -10.536 1.00 3.23 H new ATOM 0 HB2 LEU A 21 8.881 28.091 -11.111 1.00 41.21 H new ATOM 0 HB3 LEU A 21 8.231 26.684 -10.293 1.00 41.21 H new ATOM 0 HG LEU A 21 7.879 25.908 -12.863 1.00 61.13 H new ATOM 0 HD11 LEU A 21 9.896 26.512 -14.141 1.00 43.01 H new ATOM 0 HD12 LEU A 21 8.888 27.935 -13.786 1.00 43.01 H new ATOM 0 HD13 LEU A 21 10.372 27.639 -12.848 1.00 43.01 H new ATOM 0 HD21 LEU A 21 9.949 24.599 -12.585 1.00 42.11 H new ATOM 0 HD22 LEU A 21 10.426 25.651 -11.230 1.00 42.11 H new ATOM 0 HD23 LEU A 21 8.978 24.625 -11.093 1.00 42.11 H new ATOM 278 N VAL A 22 6.510 28.121 -13.802 1.00 54.11 N ATOM 279 CA VAL A 22 6.438 28.886 -15.042 1.00 32.35 C ATOM 280 C VAL A 22 5.224 29.808 -15.049 1.00 74.40 C ATOM 281 O VAL A 22 5.353 31.022 -15.204 1.00 10.23 O ATOM 282 CB VAL A 22 6.372 27.959 -16.270 1.00 24.32 C ATOM 283 CG1 VAL A 22 6.219 28.773 -17.546 1.00 23.43 C ATOM 284 CG2 VAL A 22 7.609 27.075 -16.336 1.00 51.24 C ATOM 0 H VAL A 22 6.372 27.117 -13.917 1.00 54.11 H new ATOM 0 HA VAL A 22 7.346 29.486 -15.097 1.00 32.35 H new ATOM 0 HB VAL A 22 5.498 27.315 -16.172 1.00 24.32 H new ATOM 0 HG11 VAL A 22 6.174 28.101 -18.403 1.00 23.43 H new ATOM 0 HG12 VAL A 22 5.301 29.359 -17.496 1.00 23.43 H new ATOM 0 HG13 VAL A 22 7.072 29.443 -17.655 1.00 23.43 H new ATOM 0 HG21 VAL A 22 7.546 26.426 -17.210 1.00 51.24 H new ATOM 0 HG22 VAL A 22 8.499 27.700 -16.411 1.00 51.24 H new ATOM 0 HG23 VAL A 22 7.669 26.465 -15.435 1.00 51.24 H new ATOM 294 N LYS A 23 4.043 29.223 -14.880 1.00 74.43 N ATOM 295 CA LYS A 23 2.803 29.990 -14.865 1.00 41.45 C ATOM 296 C LYS A 23 2.840 31.062 -13.780 1.00 74.42 C ATOM 297 O LYS A 23 2.152 32.078 -13.875 1.00 3.01 O ATOM 298 CB LYS A 23 1.607 29.063 -14.641 1.00 70.41 C ATOM 299 CG LYS A 23 1.591 28.411 -13.269 1.00 45.11 C ATOM 300 CD LYS A 23 0.223 27.838 -12.939 1.00 44.22 C ATOM 301 CE LYS A 23 -0.776 28.936 -12.611 1.00 13.53 C ATOM 302 NZ LYS A 23 -0.903 29.150 -11.142 1.00 41.34 N ATOM 0 H LYS A 23 3.919 28.219 -14.751 1.00 74.43 H new ATOM 0 HA LYS A 23 2.697 30.480 -15.833 1.00 41.45 H new ATOM 0 HB2 LYS A 23 0.687 29.632 -14.774 1.00 70.41 H new ATOM 0 HB3 LYS A 23 1.614 28.284 -15.404 1.00 70.41 H new ATOM 0 HG2 LYS A 23 2.337 27.617 -13.234 1.00 45.11 H new ATOM 0 HG3 LYS A 23 1.871 29.145 -12.513 1.00 45.11 H new ATOM 0 HD2 LYS A 23 -0.141 27.254 -13.784 1.00 44.22 H new ATOM 0 HD3 LYS A 23 0.307 27.156 -12.093 1.00 44.22 H new ATOM 0 HE2 LYS A 23 -0.464 29.865 -13.088 1.00 13.53 H new ATOM 0 HE3 LYS A 23 -1.750 28.677 -13.026 1.00 13.53 H new ATOM 0 HZ1 LYS A 23 -1.593 29.906 -10.960 1.00 41.34 H new ATOM 0 HZ2 LYS A 23 -1.225 28.271 -10.690 1.00 41.34 H new ATOM 0 HZ3 LYS A 23 0.021 29.423 -10.750 1.00 41.34 H new ATOM 316 N ALA A 24 3.647 30.827 -12.751 1.00 11.42 N ATOM 317 CA ALA A 24 3.775 31.774 -11.650 1.00 23.02 C ATOM 318 C ALA A 24 4.564 33.008 -12.076 1.00 21.43 C ATOM 319 O ALA A 24 4.195 34.136 -11.750 1.00 30.10 O ATOM 320 CB ALA A 24 4.440 31.107 -10.455 1.00 31.32 C ATOM 0 H ALA A 24 4.222 29.990 -12.657 1.00 11.42 H new ATOM 0 HA ALA A 24 2.774 32.096 -11.362 1.00 23.02 H new ATOM 0 HB1 ALA A 24 4.529 31.826 -9.640 1.00 31.32 H new ATOM 0 HB2 ALA A 24 3.836 30.261 -10.128 1.00 31.32 H new ATOM 0 HB3 ALA A 24 5.432 30.756 -10.740 1.00 31.32 H new ATOM 326 N VAL A 25 5.653 32.785 -12.805 1.00 51.42 N ATOM 327 CA VAL A 25 6.494 33.879 -13.276 1.00 40.31 C ATOM 328 C VAL A 25 5.710 34.828 -14.176 1.00 34.41 C ATOM 329 O VAL A 25 6.069 35.995 -14.327 1.00 45.53 O ATOM 330 CB VAL A 25 7.719 33.353 -14.047 1.00 42.42 C ATOM 331 CG1 VAL A 25 8.565 34.510 -14.558 1.00 63.52 C ATOM 332 CG2 VAL A 25 8.544 32.426 -13.167 1.00 42.34 C ATOM 0 H VAL A 25 5.973 31.857 -13.082 1.00 51.42 H new ATOM 0 HA VAL A 25 6.834 34.419 -12.392 1.00 40.31 H new ATOM 0 HB VAL A 25 7.368 32.783 -14.907 1.00 42.42 H new ATOM 0 HG11 VAL A 25 9.426 34.119 -15.100 1.00 63.52 H new ATOM 0 HG12 VAL A 25 7.967 35.131 -15.225 1.00 63.52 H new ATOM 0 HG13 VAL A 25 8.909 35.110 -13.715 1.00 63.52 H new ATOM 0 HG21 VAL A 25 9.406 32.064 -13.728 1.00 42.34 H new ATOM 0 HG22 VAL A 25 8.887 32.970 -12.287 1.00 42.34 H new ATOM 0 HG23 VAL A 25 7.932 31.580 -12.855 1.00 42.34 H new ATOM 342 N ILE A 26 4.636 34.318 -14.770 1.00 62.13 N ATOM 343 CA ILE A 26 3.800 35.120 -15.654 1.00 53.21 C ATOM 344 C ILE A 26 2.889 36.047 -14.857 1.00 14.33 C ATOM 345 O ILE A 26 2.929 37.266 -15.023 1.00 32.10 O ATOM 346 CB ILE A 26 2.936 34.233 -16.570 1.00 52.32 C ATOM 347 CG1 ILE A 26 3.804 33.183 -17.265 1.00 71.54 C ATOM 348 CG2 ILE A 26 2.204 35.086 -17.596 1.00 35.15 C ATOM 349 CD1 ILE A 26 3.023 32.258 -18.173 1.00 20.24 C ATOM 0 H ILE A 26 4.325 33.353 -14.655 1.00 62.13 H new ATOM 0 HA ILE A 26 4.473 35.717 -16.270 1.00 53.21 H new ATOM 0 HB ILE A 26 2.195 33.718 -15.959 1.00 52.32 H new ATOM 0 HG12 ILE A 26 4.573 33.688 -17.849 1.00 71.54 H new ATOM 0 HG13 ILE A 26 4.317 32.589 -16.509 1.00 71.54 H new ATOM 0 HG21 ILE A 26 1.598 34.445 -18.236 1.00 35.15 H new ATOM 0 HG22 ILE A 26 1.560 35.800 -17.083 1.00 35.15 H new ATOM 0 HG23 ILE A 26 2.930 35.625 -18.205 1.00 35.15 H new ATOM 0 HD11 ILE A 26 3.702 31.540 -18.632 1.00 20.24 H new ATOM 0 HD12 ILE A 26 2.271 31.725 -17.590 1.00 20.24 H new ATOM 0 HD13 ILE A 26 2.532 32.842 -18.952 1.00 20.24 H new ATOM 361 N GLU A 27 2.069 35.461 -13.989 1.00 64.14 N ATOM 362 CA GLU A 27 1.149 36.235 -13.165 1.00 50.53 C ATOM 363 C GLU A 27 1.884 37.355 -12.433 1.00 62.43 C ATOM 364 O GLU A 27 1.524 38.526 -12.547 1.00 22.21 O ATOM 365 CB GLU A 27 0.446 35.327 -12.155 1.00 74.41 C ATOM 366 CG GLU A 27 -1.050 35.573 -12.053 1.00 12.54 C ATOM 367 CD GLU A 27 -1.778 35.294 -13.353 1.00 32.30 C ATOM 368 OE1 GLU A 27 -2.005 34.106 -13.663 1.00 63.40 O ATOM 369 OE2 GLU A 27 -2.122 36.264 -14.060 1.00 64.05 O ATOM 0 H GLU A 27 2.024 34.453 -13.839 1.00 64.14 H new ATOM 0 HA GLU A 27 0.403 36.682 -13.822 1.00 50.53 H new ATOM 0 HB2 GLU A 27 0.616 34.287 -12.434 1.00 74.41 H new ATOM 0 HB3 GLU A 27 0.897 35.472 -11.173 1.00 74.41 H new ATOM 0 HG2 GLU A 27 -1.465 34.943 -11.266 1.00 12.54 H new ATOM 0 HG3 GLU A 27 -1.225 36.608 -11.758 1.00 12.54 H new ATOM 376 N MET A 28 2.916 36.984 -11.682 1.00 11.11 N ATOM 377 CA MET A 28 3.702 37.956 -10.932 1.00 5.34 C ATOM 378 C MET A 28 4.277 39.023 -11.859 1.00 33.32 C ATOM 379 O MET A 28 4.305 40.205 -11.518 1.00 2.13 O ATOM 380 CB MET A 28 4.835 37.256 -10.178 1.00 73.31 C ATOM 381 CG MET A 28 5.772 36.471 -11.082 1.00 33.12 C ATOM 382 SD MET A 28 7.292 37.367 -11.452 1.00 22.35 S ATOM 383 CE MET A 28 8.138 37.263 -9.876 1.00 61.42 C ATOM 0 H MET A 28 3.227 36.018 -11.577 1.00 11.11 H new ATOM 0 HA MET A 28 3.042 38.441 -10.213 1.00 5.34 H new ATOM 0 HB2 MET A 28 5.411 38.002 -9.631 1.00 73.31 H new ATOM 0 HB3 MET A 28 4.405 36.580 -9.439 1.00 73.31 H new ATOM 0 HG2 MET A 28 6.021 35.523 -10.605 1.00 33.12 H new ATOM 0 HG3 MET A 28 5.258 36.234 -12.014 1.00 33.12 H new ATOM 0 HE1 MET A 28 9.198 37.476 -10.017 1.00 61.42 H new ATOM 0 HE2 MET A 28 7.711 37.989 -9.185 1.00 61.42 H new ATOM 0 HE3 MET A 28 8.021 36.260 -9.466 1.00 61.42 H new ATOM 393 N SER A 29 4.734 38.597 -13.032 1.00 75.22 N ATOM 394 CA SER A 29 5.311 39.515 -14.007 1.00 11.23 C ATOM 395 C SER A 29 4.280 40.545 -14.460 1.00 5.14 C ATOM 396 O SER A 29 4.633 41.617 -14.952 1.00 73.31 O ATOM 397 CB SER A 29 5.841 38.742 -15.216 1.00 4.14 C ATOM 398 OG SER A 29 6.054 39.605 -16.320 1.00 34.24 O ATOM 0 H SER A 29 4.716 37.622 -13.330 1.00 75.22 H new ATOM 0 HA SER A 29 6.138 40.040 -13.529 1.00 11.23 H new ATOM 0 HB2 SER A 29 6.775 38.245 -14.953 1.00 4.14 H new ATOM 0 HB3 SER A 29 5.132 37.962 -15.492 1.00 4.14 H new ATOM 0 HG SER A 29 6.394 39.087 -17.079 1.00 34.24 H new ATOM 404 N SER A 30 3.005 40.211 -14.289 1.00 2.41 N ATOM 405 CA SER A 30 1.922 41.105 -14.683 1.00 60.42 C ATOM 406 C SER A 30 1.771 42.249 -13.685 1.00 71.33 C ATOM 407 O SER A 30 1.822 43.422 -14.055 1.00 73.01 O ATOM 408 CB SER A 30 0.607 40.330 -14.791 1.00 23.31 C ATOM 409 OG SER A 30 -0.039 40.591 -16.025 1.00 22.42 O ATOM 0 H SER A 30 2.697 39.329 -13.881 1.00 2.41 H new ATOM 0 HA SER A 30 2.168 41.527 -15.657 1.00 60.42 H new ATOM 0 HB2 SER A 30 0.802 39.262 -14.698 1.00 23.31 H new ATOM 0 HB3 SER A 30 -0.051 40.607 -13.967 1.00 23.31 H new ATOM 0 HG SER A 30 -0.876 40.083 -16.070 1.00 22.42 H new ATOM 415 N LYS A 31 1.585 41.899 -12.417 1.00 74.52 N ATOM 416 CA LYS A 31 1.427 42.894 -11.363 1.00 71.33 C ATOM 417 C LYS A 31 2.740 43.108 -10.617 1.00 14.14 C ATOM 418 O LYS A 31 2.743 43.505 -9.451 1.00 25.01 O ATOM 419 CB LYS A 31 0.335 42.460 -10.383 1.00 21.32 C ATOM 420 CG LYS A 31 0.706 41.237 -9.562 1.00 21.13 C ATOM 421 CD LYS A 31 -0.211 40.064 -9.863 1.00 32.41 C ATOM 422 CE LYS A 31 0.023 38.911 -8.898 1.00 50.05 C ATOM 423 NZ LYS A 31 -0.864 37.752 -9.193 1.00 53.03 N ATOM 0 H LYS A 31 1.540 40.933 -12.094 1.00 74.52 H new ATOM 0 HA LYS A 31 1.135 43.836 -11.827 1.00 71.33 H new ATOM 0 HB2 LYS A 31 0.114 43.287 -9.708 1.00 21.32 H new ATOM 0 HB3 LYS A 31 -0.579 42.250 -10.939 1.00 21.32 H new ATOM 0 HG2 LYS A 31 1.738 40.956 -9.772 1.00 21.13 H new ATOM 0 HG3 LYS A 31 0.651 41.480 -8.501 1.00 21.13 H new ATOM 0 HD2 LYS A 31 -1.250 40.388 -9.800 1.00 32.41 H new ATOM 0 HD3 LYS A 31 -0.045 39.724 -10.885 1.00 32.41 H new ATOM 0 HE2 LYS A 31 1.065 38.595 -8.956 1.00 50.05 H new ATOM 0 HE3 LYS A 31 -0.151 39.251 -7.877 1.00 50.05 H new ATOM 0 HZ1 LYS A 31 -1.122 37.277 -8.304 1.00 53.03 H new ATOM 0 HZ2 LYS A 31 -1.726 38.087 -9.670 1.00 53.03 H new ATOM 0 HZ3 LYS A 31 -0.365 37.081 -9.811 1.00 53.03 H new ATOM 437 N ILE A 32 3.851 42.845 -11.295 1.00 70.44 N ATOM 438 CA ILE A 32 5.169 43.012 -10.696 1.00 62.52 C ATOM 439 C ILE A 32 5.407 44.461 -10.287 1.00 24.03 C ATOM 440 O ILE A 32 6.000 44.731 -9.243 1.00 5.21 O ATOM 441 CB ILE A 32 6.286 42.572 -11.662 1.00 1.55 C ATOM 442 CG1 ILE A 32 7.655 42.722 -10.994 1.00 72.31 C ATOM 443 CG2 ILE A 32 6.226 43.385 -12.946 1.00 54.22 C ATOM 444 CD1 ILE A 32 7.852 41.805 -9.807 1.00 73.45 C ATOM 0 H ILE A 32 3.865 42.515 -12.260 1.00 70.44 H new ATOM 0 HA ILE A 32 5.196 42.378 -9.810 1.00 62.52 H new ATOM 0 HB ILE A 32 6.137 41.522 -11.913 1.00 1.55 H new ATOM 0 HG12 ILE A 32 8.433 42.522 -11.730 1.00 72.31 H new ATOM 0 HG13 ILE A 32 7.781 43.755 -10.670 1.00 72.31 H new ATOM 0 HG21 ILE A 32 7.021 43.063 -13.618 1.00 54.22 H new ATOM 0 HG22 ILE A 32 5.260 43.234 -13.428 1.00 54.22 H new ATOM 0 HG23 ILE A 32 6.354 44.442 -12.714 1.00 54.22 H new ATOM 0 HD11 ILE A 32 8.844 41.966 -9.384 1.00 73.45 H new ATOM 0 HD12 ILE A 32 7.096 42.020 -9.052 1.00 73.45 H new ATOM 0 HD13 ILE A 32 7.759 40.768 -10.129 1.00 73.45 H new ATOM 456 N GLN A 33 4.939 45.389 -11.115 1.00 62.22 N ATOM 457 CA GLN A 33 5.101 46.811 -10.838 1.00 55.22 C ATOM 458 C GLN A 33 4.360 47.205 -9.564 1.00 44.01 C ATOM 459 O GLN A 33 4.955 47.663 -8.588 1.00 52.43 O ATOM 460 CB GLN A 33 4.590 47.643 -12.016 1.00 64.13 C ATOM 461 CG GLN A 33 5.700 48.213 -12.884 1.00 44.32 C ATOM 462 CD GLN A 33 6.206 47.220 -13.912 1.00 42.30 C ATOM 463 OE1 GLN A 33 5.431 46.671 -14.695 1.00 70.31 O ATOM 464 NE2 GLN A 33 7.513 46.985 -13.915 1.00 61.02 N ATOM 0 H GLN A 33 4.445 45.182 -11.983 1.00 62.22 H new ATOM 0 HA GLN A 33 6.163 47.009 -10.696 1.00 55.22 H new ATOM 0 HB2 GLN A 33 3.939 47.023 -12.633 1.00 64.13 H new ATOM 0 HB3 GLN A 33 3.981 48.463 -11.634 1.00 64.13 H new ATOM 0 HG2 GLN A 33 5.335 49.104 -13.394 1.00 44.32 H new ATOM 0 HG3 GLN A 33 6.528 48.526 -12.249 1.00 44.32 H new ATOM 0 HE21 GLN A 33 8.119 47.463 -13.248 1.00 61.02 H new ATOM 0 HE22 GLN A 33 7.911 46.327 -14.585 1.00 61.02 H new ATOM 473 N PRO A 34 3.031 47.023 -9.571 1.00 45.31 N ATOM 474 CA PRO A 34 2.181 47.353 -8.423 1.00 44.33 C ATOM 475 C PRO A 34 2.403 46.408 -7.247 1.00 51.32 C ATOM 476 O PRO A 34 1.873 46.624 -6.157 1.00 64.25 O ATOM 477 CB PRO A 34 0.763 47.196 -8.976 1.00 34.12 C ATOM 478 CG PRO A 34 0.900 46.230 -10.102 1.00 54.41 C ATOM 479 CD PRO A 34 2.256 46.481 -10.700 1.00 4.32 C ATOM 0 HA PRO A 34 2.392 48.348 -8.031 1.00 44.33 H new ATOM 0 HB2 PRO A 34 0.080 46.821 -8.214 1.00 34.12 H new ATOM 0 HB3 PRO A 34 0.364 48.150 -9.320 1.00 34.12 H new ATOM 0 HG2 PRO A 34 0.814 45.203 -9.748 1.00 54.41 H new ATOM 0 HG3 PRO A 34 0.114 46.379 -10.842 1.00 54.41 H new ATOM 0 HD2 PRO A 34 2.700 45.564 -11.089 1.00 4.32 H new ATOM 0 HD3 PRO A 34 2.205 47.187 -11.529 1.00 4.32 H new ATOM 487 N ALA A 35 3.189 45.361 -7.475 1.00 41.33 N ATOM 488 CA ALA A 35 3.482 44.385 -6.433 1.00 45.05 C ATOM 489 C ALA A 35 3.867 45.074 -5.128 1.00 73.43 C ATOM 490 O ALA A 35 4.958 45.626 -4.987 1.00 61.44 O ATOM 491 CB ALA A 35 4.593 43.449 -6.885 1.00 64.34 C ATOM 0 H ALA A 35 3.634 45.167 -8.372 1.00 41.33 H new ATOM 0 HA ALA A 35 2.580 43.801 -6.253 1.00 45.05 H new ATOM 0 HB1 ALA A 35 4.802 42.725 -6.097 1.00 64.34 H new ATOM 0 HB2 ALA A 35 4.281 42.923 -7.788 1.00 64.34 H new ATOM 0 HB3 ALA A 35 5.493 44.027 -7.094 1.00 64.34 H new ATOM 497 N PRO A 36 2.950 45.042 -4.150 1.00 12.53 N ATOM 498 CA PRO A 36 3.170 45.659 -2.838 1.00 44.44 C ATOM 499 C PRO A 36 4.216 44.915 -2.016 1.00 23.51 C ATOM 500 O PRO A 36 4.633 43.807 -2.354 1.00 64.42 O ATOM 501 CB PRO A 36 1.798 45.567 -2.168 1.00 14.25 C ATOM 502 CG PRO A 36 1.130 44.412 -2.829 1.00 74.41 C ATOM 503 CD PRO A 36 1.627 44.402 -4.248 1.00 4.20 C ATOM 0 HA PRO A 36 3.549 46.677 -2.925 1.00 44.44 H new ATOM 0 HB2 PRO A 36 1.892 45.408 -1.094 1.00 14.25 H new ATOM 0 HB3 PRO A 36 1.228 46.486 -2.306 1.00 14.25 H new ATOM 0 HG2 PRO A 36 1.375 43.478 -2.323 1.00 74.41 H new ATOM 0 HG3 PRO A 36 0.046 44.517 -2.796 1.00 74.41 H new ATOM 0 HD2 PRO A 36 1.699 43.388 -4.641 1.00 4.20 H new ATOM 0 HD3 PRO A 36 0.961 44.955 -4.911 1.00 4.20 H new ATOM 511 N PRO A 37 4.651 45.535 -0.909 1.00 23.41 N ATOM 512 CA PRO A 37 5.654 44.947 -0.015 1.00 15.43 C ATOM 513 C PRO A 37 5.113 43.746 0.753 1.00 73.33 C ATOM 514 O PRO A 37 5.878 42.921 1.252 1.00 41.55 O ATOM 515 CB PRO A 37 5.984 46.091 0.947 1.00 3.32 C ATOM 516 CG PRO A 37 4.769 46.953 0.943 1.00 42.21 C ATOM 517 CD PRO A 37 4.198 46.856 -0.445 1.00 12.43 C ATOM 0 HA PRO A 37 6.517 44.569 -0.563 1.00 15.43 H new ATOM 0 HB2 PRO A 37 6.200 45.717 1.948 1.00 3.32 H new ATOM 0 HB3 PRO A 37 6.863 46.645 0.617 1.00 3.32 H new ATOM 0 HG2 PRO A 37 4.048 46.614 1.686 1.00 42.21 H new ATOM 0 HG3 PRO A 37 5.021 47.984 1.190 1.00 42.21 H new ATOM 0 HD2 PRO A 37 3.110 46.928 -0.438 1.00 12.43 H new ATOM 0 HD3 PRO A 37 4.566 47.656 -1.088 1.00 12.43 H new ATOM 525 N GLU A 38 3.790 43.653 0.842 1.00 14.13 N ATOM 526 CA GLU A 38 3.148 42.551 1.550 1.00 52.43 C ATOM 527 C GLU A 38 2.965 41.347 0.630 1.00 5.23 C ATOM 528 O GLU A 38 2.811 40.218 1.094 1.00 63.22 O ATOM 529 CB GLU A 38 1.792 42.993 2.105 1.00 50.24 C ATOM 530 CG GLU A 38 1.381 42.255 3.367 1.00 23.25 C ATOM 531 CD GLU A 38 0.219 42.919 4.080 1.00 42.11 C ATOM 532 OE1 GLU A 38 0.410 44.031 4.616 1.00 22.21 O ATOM 533 OE2 GLU A 38 -0.880 42.328 4.102 1.00 74.14 O ATOM 0 H GLU A 38 3.142 44.327 0.433 1.00 14.13 H new ATOM 0 HA GLU A 38 3.794 42.259 2.378 1.00 52.43 H new ATOM 0 HB2 GLU A 38 1.826 44.062 2.314 1.00 50.24 H new ATOM 0 HB3 GLU A 38 1.029 42.842 1.341 1.00 50.24 H new ATOM 0 HG2 GLU A 38 1.108 41.231 3.112 1.00 23.25 H new ATOM 0 HG3 GLU A 38 2.233 42.199 4.044 1.00 23.25 H new ATOM 540 N GLU A 39 2.984 41.598 -0.675 1.00 51.40 N ATOM 541 CA GLU A 39 2.819 40.535 -1.659 1.00 41.23 C ATOM 542 C GLU A 39 4.168 39.931 -2.038 1.00 21.51 C ATOM 543 O GLU A 39 4.233 38.927 -2.748 1.00 63.21 O ATOM 544 CB GLU A 39 2.119 41.071 -2.910 1.00 2.52 C ATOM 545 CG GLU A 39 1.822 40.002 -3.947 1.00 33.42 C ATOM 546 CD GLU A 39 0.364 39.984 -4.365 1.00 44.04 C ATOM 547 OE1 GLU A 39 -0.435 39.289 -3.705 1.00 20.25 O ATOM 548 OE2 GLU A 39 0.024 40.666 -5.354 1.00 54.44 O ATOM 0 H GLU A 39 3.112 42.527 -1.075 1.00 51.40 H new ATOM 0 HA GLU A 39 2.203 39.755 -1.213 1.00 41.23 H new ATOM 0 HB2 GLU A 39 1.185 41.550 -2.616 1.00 2.52 H new ATOM 0 HB3 GLU A 39 2.743 41.841 -3.363 1.00 2.52 H new ATOM 0 HG2 GLU A 39 2.446 40.169 -4.825 1.00 33.42 H new ATOM 0 HG3 GLU A 39 2.093 39.026 -3.545 1.00 33.42 H new ATOM 555 N TYR A 40 5.242 40.549 -1.559 1.00 71.24 N ATOM 556 CA TYR A 40 6.590 40.074 -1.850 1.00 12.44 C ATOM 557 C TYR A 40 6.941 38.868 -0.984 1.00 11.31 C ATOM 558 O TYR A 40 7.685 37.982 -1.405 1.00 53.31 O ATOM 559 CB TYR A 40 7.607 41.194 -1.621 1.00 61.42 C ATOM 560 CG TYR A 40 8.565 41.386 -2.775 1.00 23.40 C ATOM 561 CD1 TYR A 40 8.097 41.564 -4.071 1.00 31.03 C ATOM 562 CD2 TYR A 40 9.940 41.390 -2.569 1.00 35.51 C ATOM 563 CE1 TYR A 40 8.969 41.739 -5.128 1.00 32.13 C ATOM 564 CE2 TYR A 40 10.819 41.565 -3.620 1.00 11.22 C ATOM 565 CZ TYR A 40 10.329 41.739 -4.897 1.00 72.03 C ATOM 566 OH TYR A 40 11.201 41.914 -5.947 1.00 54.44 O ATOM 0 H TYR A 40 5.206 41.379 -0.968 1.00 71.24 H new ATOM 0 HA TYR A 40 6.624 39.769 -2.896 1.00 12.44 H new ATOM 0 HB2 TYR A 40 7.073 42.128 -1.443 1.00 61.42 H new ATOM 0 HB3 TYR A 40 8.178 40.976 -0.718 1.00 61.42 H new ATOM 0 HD1 TYR A 40 7.033 41.566 -4.255 1.00 31.03 H new ATOM 0 HD2 TYR A 40 10.327 41.254 -1.570 1.00 35.51 H new ATOM 0 HE1 TYR A 40 8.588 41.875 -6.129 1.00 32.13 H new ATOM 0 HE2 TYR A 40 11.884 41.566 -3.442 1.00 11.22 H new ATOM 0 HH TYR A 40 12.123 41.889 -5.614 1.00 54.44 H new ATOM 576 N VAL A 41 6.399 38.841 0.230 1.00 41.23 N ATOM 577 CA VAL A 41 6.652 37.744 1.156 1.00 64.02 C ATOM 578 C VAL A 41 6.338 36.398 0.512 1.00 11.14 C ATOM 579 O VAL A 41 7.187 35.511 0.424 1.00 72.21 O ATOM 580 CB VAL A 41 5.820 37.892 2.443 1.00 54.40 C ATOM 581 CG1 VAL A 41 5.480 36.527 3.020 1.00 71.52 C ATOM 582 CG2 VAL A 41 6.563 38.741 3.463 1.00 2.12 C ATOM 0 H VAL A 41 5.782 39.567 0.595 1.00 41.23 H new ATOM 0 HA VAL A 41 7.711 37.783 1.411 1.00 64.02 H new ATOM 0 HB VAL A 41 4.887 38.397 2.195 1.00 54.40 H new ATOM 0 HG11 VAL A 41 4.892 36.652 3.929 1.00 71.52 H new ATOM 0 HG12 VAL A 41 4.904 35.957 2.291 1.00 71.52 H new ATOM 0 HG13 VAL A 41 6.400 35.992 3.254 1.00 71.52 H new ATOM 0 HG21 VAL A 41 5.960 38.835 4.366 1.00 2.12 H new ATOM 0 HG22 VAL A 41 7.513 38.266 3.709 1.00 2.12 H new ATOM 0 HG23 VAL A 41 6.749 39.731 3.046 1.00 2.12 H new ATOM 592 N PRO A 42 5.088 36.241 0.051 1.00 63.50 N ATOM 593 CA PRO A 42 4.633 35.005 -0.594 1.00 15.51 C ATOM 594 C PRO A 42 5.269 34.798 -1.964 1.00 23.33 C ATOM 595 O PRO A 42 5.535 33.667 -2.370 1.00 23.24 O ATOM 596 CB PRO A 42 3.122 35.214 -0.732 1.00 44.13 C ATOM 597 CG PRO A 42 2.945 36.693 -0.760 1.00 43.02 C ATOM 598 CD PRO A 42 4.024 37.256 0.123 1.00 44.02 C ATOM 0 HA PRO A 42 4.905 34.120 -0.018 1.00 15.51 H new ATOM 0 HB2 PRO A 42 2.740 34.752 -1.643 1.00 44.13 H new ATOM 0 HB3 PRO A 42 2.583 34.766 0.103 1.00 44.13 H new ATOM 0 HG2 PRO A 42 3.032 37.077 -1.776 1.00 43.02 H new ATOM 0 HG3 PRO A 42 1.957 36.975 -0.397 1.00 43.02 H new ATOM 0 HD2 PRO A 42 4.370 38.226 -0.234 1.00 44.02 H new ATOM 0 HD3 PRO A 42 3.673 37.399 1.145 1.00 44.02 H new ATOM 606 N MET A 43 5.512 35.896 -2.671 1.00 54.24 N ATOM 607 CA MET A 43 6.119 35.833 -3.996 1.00 2.24 C ATOM 608 C MET A 43 7.406 35.015 -3.965 1.00 31.41 C ATOM 609 O MET A 43 7.548 34.035 -4.697 1.00 34.34 O ATOM 610 CB MET A 43 6.410 37.243 -4.514 1.00 71.23 C ATOM 611 CG MET A 43 5.790 37.531 -5.872 1.00 31.30 C ATOM 612 SD MET A 43 4.097 38.140 -5.748 1.00 24.25 S ATOM 613 CE MET A 43 4.226 39.682 -6.649 1.00 14.43 C ATOM 0 H MET A 43 5.298 36.840 -2.349 1.00 54.24 H new ATOM 0 HA MET A 43 5.414 35.344 -4.669 1.00 2.24 H new ATOM 0 HB2 MET A 43 6.038 37.970 -3.792 1.00 71.23 H new ATOM 0 HB3 MET A 43 7.489 37.382 -4.579 1.00 71.23 H new ATOM 0 HG2 MET A 43 6.399 38.267 -6.396 1.00 31.30 H new ATOM 0 HG3 MET A 43 5.802 36.621 -6.473 1.00 31.30 H new ATOM 0 HE1 MET A 43 3.234 40.000 -6.969 1.00 14.43 H new ATOM 0 HE2 MET A 43 4.661 40.445 -6.004 1.00 14.43 H new ATOM 0 HE3 MET A 43 4.861 39.540 -7.523 1.00 14.43 H new ATOM 623 N VAL A 44 8.342 35.423 -3.114 1.00 32.01 N ATOM 624 CA VAL A 44 9.617 34.727 -2.988 1.00 34.34 C ATOM 625 C VAL A 44 9.410 33.270 -2.589 1.00 30.14 C ATOM 626 O VAL A 44 10.098 32.376 -3.082 1.00 35.40 O ATOM 627 CB VAL A 44 10.528 35.408 -1.949 1.00 73.31 C ATOM 628 CG1 VAL A 44 11.917 34.789 -1.970 1.00 42.33 C ATOM 629 CG2 VAL A 44 10.598 36.906 -2.204 1.00 31.14 C ATOM 0 H VAL A 44 8.241 36.232 -2.501 1.00 32.01 H new ATOM 0 HA VAL A 44 10.099 34.769 -3.965 1.00 34.34 H new ATOM 0 HB VAL A 44 10.102 35.251 -0.958 1.00 73.31 H new ATOM 0 HG11 VAL A 44 12.547 35.283 -1.230 1.00 42.33 H new ATOM 0 HG12 VAL A 44 11.846 33.727 -1.735 1.00 42.33 H new ATOM 0 HG13 VAL A 44 12.356 34.913 -2.960 1.00 42.33 H new ATOM 0 HG21 VAL A 44 11.246 37.372 -1.461 1.00 31.14 H new ATOM 0 HG22 VAL A 44 11.000 37.087 -3.201 1.00 31.14 H new ATOM 0 HG23 VAL A 44 9.598 37.334 -2.133 1.00 31.14 H new ATOM 639 N LYS A 45 8.457 33.037 -1.692 1.00 5.31 N ATOM 640 CA LYS A 45 8.157 31.689 -1.226 1.00 62.43 C ATOM 641 C LYS A 45 7.759 30.787 -2.390 1.00 51.25 C ATOM 642 O LYS A 45 7.976 29.577 -2.352 1.00 22.32 O ATOM 643 CB LYS A 45 7.034 31.724 -0.187 1.00 62.22 C ATOM 644 CG LYS A 45 7.352 32.586 1.023 1.00 73.45 C ATOM 645 CD LYS A 45 7.941 31.762 2.155 1.00 63.41 C ATOM 646 CE LYS A 45 8.117 32.593 3.416 1.00 32.14 C ATOM 647 NZ LYS A 45 9.207 33.597 3.272 1.00 25.51 N ATOM 0 H LYS A 45 7.879 33.766 -1.273 1.00 5.31 H new ATOM 0 HA LYS A 45 9.057 31.282 -0.765 1.00 62.43 H new ATOM 0 HB2 LYS A 45 6.125 32.096 -0.659 1.00 62.22 H new ATOM 0 HB3 LYS A 45 6.827 30.707 0.146 1.00 62.22 H new ATOM 0 HG2 LYS A 45 8.054 33.369 0.738 1.00 73.45 H new ATOM 0 HG3 LYS A 45 6.444 33.082 1.367 1.00 73.45 H new ATOM 0 HD2 LYS A 45 7.290 30.913 2.365 1.00 63.41 H new ATOM 0 HD3 LYS A 45 8.905 31.356 1.848 1.00 63.41 H new ATOM 0 HE2 LYS A 45 7.182 33.103 3.648 1.00 32.14 H new ATOM 0 HE3 LYS A 45 8.338 31.935 4.256 1.00 32.14 H new ATOM 0 HZ1 LYS A 45 9.930 33.432 4.001 1.00 25.51 H new ATOM 0 HZ2 LYS A 45 9.639 33.508 2.330 1.00 25.51 H new ATOM 0 HZ3 LYS A 45 8.815 34.554 3.384 1.00 25.51 H new ATOM 661 N GLU A 46 7.176 31.386 -3.425 1.00 3.15 N ATOM 662 CA GLU A 46 6.749 30.636 -4.600 1.00 30.24 C ATOM 663 C GLU A 46 7.952 30.156 -5.406 1.00 23.11 C ATOM 664 O GLU A 46 8.071 28.971 -5.720 1.00 51.51 O ATOM 665 CB GLU A 46 5.842 31.498 -5.480 1.00 71.43 C ATOM 666 CG GLU A 46 4.618 32.031 -4.755 1.00 50.30 C ATOM 667 CD GLU A 46 3.331 31.386 -5.230 1.00 72.21 C ATOM 668 OE1 GLU A 46 2.956 30.332 -4.674 1.00 51.02 O ATOM 669 OE2 GLU A 46 2.699 31.933 -6.157 1.00 54.52 O ATOM 0 H GLU A 46 6.989 32.388 -3.473 1.00 3.15 H new ATOM 0 HA GLU A 46 6.191 29.764 -4.260 1.00 30.24 H new ATOM 0 HB2 GLU A 46 6.418 32.338 -5.868 1.00 71.43 H new ATOM 0 HB3 GLU A 46 5.518 30.910 -6.339 1.00 71.43 H new ATOM 0 HG2 GLU A 46 4.732 31.860 -3.684 1.00 50.30 H new ATOM 0 HG3 GLU A 46 4.555 33.109 -4.901 1.00 50.30 H new ATOM 676 N VAL A 47 8.843 31.085 -5.739 1.00 20.15 N ATOM 677 CA VAL A 47 10.038 30.758 -6.508 1.00 13.03 C ATOM 678 C VAL A 47 10.989 29.883 -5.700 1.00 3.15 C ATOM 679 O VAL A 47 11.510 28.887 -6.200 1.00 42.31 O ATOM 680 CB VAL A 47 10.782 32.030 -6.955 1.00 63.25 C ATOM 681 CG1 VAL A 47 11.876 31.684 -7.954 1.00 44.52 C ATOM 682 CG2 VAL A 47 9.808 33.037 -7.547 1.00 33.01 C ATOM 0 H VAL A 47 8.760 32.070 -5.488 1.00 20.15 H new ATOM 0 HA VAL A 47 9.707 30.210 -7.390 1.00 13.03 H new ATOM 0 HB VAL A 47 11.250 32.483 -6.081 1.00 63.25 H new ATOM 0 HG11 VAL A 47 12.391 32.595 -8.259 1.00 44.52 H new ATOM 0 HG12 VAL A 47 12.589 31.001 -7.491 1.00 44.52 H new ATOM 0 HG13 VAL A 47 11.433 31.208 -8.828 1.00 44.52 H new ATOM 0 HG21 VAL A 47 10.351 33.930 -7.857 1.00 33.01 H new ATOM 0 HG22 VAL A 47 9.310 32.597 -8.411 1.00 33.01 H new ATOM 0 HG23 VAL A 47 9.064 33.307 -6.798 1.00 33.01 H new ATOM 692 N GLY A 48 11.212 30.262 -4.445 1.00 12.24 N ATOM 693 CA GLY A 48 12.101 29.501 -3.586 1.00 54.12 C ATOM 694 C GLY A 48 11.717 28.037 -3.507 1.00 33.11 C ATOM 695 O GLY A 48 12.583 27.162 -3.459 1.00 15.01 O ATOM 0 H GLY A 48 10.793 31.083 -4.008 1.00 12.24 H new ATOM 0 HA2 GLY A 48 13.122 29.586 -3.958 1.00 54.12 H new ATOM 0 HA3 GLY A 48 12.090 29.931 -2.584 1.00 54.12 H new ATOM 699 N LEU A 49 10.416 27.768 -3.492 1.00 11.05 N ATOM 700 CA LEU A 49 9.919 26.399 -3.416 1.00 35.34 C ATOM 701 C LEU A 49 10.196 25.646 -4.713 1.00 31.11 C ATOM 702 O LEU A 49 10.533 24.463 -4.696 1.00 30.55 O ATOM 703 CB LEU A 49 8.417 26.396 -3.122 1.00 42.12 C ATOM 704 CG LEU A 49 7.773 25.023 -2.930 1.00 63.52 C ATOM 705 CD1 LEU A 49 7.867 24.588 -1.476 1.00 33.22 C ATOM 706 CD2 LEU A 49 6.323 25.045 -3.390 1.00 71.51 C ATOM 0 H LEU A 49 9.687 28.480 -3.531 1.00 11.05 H new ATOM 0 HA LEU A 49 10.443 25.893 -2.605 1.00 35.34 H new ATOM 0 HB2 LEU A 49 8.242 26.986 -2.222 1.00 42.12 H new ATOM 0 HB3 LEU A 49 7.906 26.903 -3.940 1.00 42.12 H new ATOM 0 HG LEU A 49 8.315 24.300 -3.539 1.00 63.52 H new ATOM 0 HD11 LEU A 49 7.403 23.609 -1.359 1.00 33.22 H new ATOM 0 HD12 LEU A 49 8.915 24.531 -1.180 1.00 33.22 H new ATOM 0 HD13 LEU A 49 7.351 25.312 -0.846 1.00 33.22 H new ATOM 0 HD21 LEU A 49 5.881 24.059 -3.246 1.00 71.51 H new ATOM 0 HD22 LEU A 49 5.768 25.781 -2.808 1.00 71.51 H new ATOM 0 HD23 LEU A 49 6.280 25.311 -4.446 1.00 71.51 H new ATOM 718 N ALA A 50 10.054 26.341 -5.837 1.00 13.35 N ATOM 719 CA ALA A 50 10.293 25.740 -7.143 1.00 21.14 C ATOM 720 C ALA A 50 11.772 25.426 -7.339 1.00 62.44 C ATOM 721 O ALA A 50 12.127 24.403 -7.926 1.00 64.53 O ATOM 722 CB ALA A 50 9.796 26.661 -8.247 1.00 32.12 C ATOM 0 H ALA A 50 9.774 27.321 -5.869 1.00 13.35 H new ATOM 0 HA ALA A 50 9.739 24.802 -7.191 1.00 21.14 H new ATOM 0 HB1 ALA A 50 9.981 26.199 -9.217 1.00 32.12 H new ATOM 0 HB2 ALA A 50 8.726 26.832 -8.124 1.00 32.12 H new ATOM 0 HB3 ALA A 50 10.324 27.613 -8.192 1.00 32.12 H new ATOM 728 N LEU A 51 12.631 26.311 -6.846 1.00 40.13 N ATOM 729 CA LEU A 51 14.073 26.128 -6.969 1.00 2.33 C ATOM 730 C LEU A 51 14.531 24.888 -6.209 1.00 22.42 C ATOM 731 O LEU A 51 15.110 23.970 -6.790 1.00 63.04 O ATOM 732 CB LEU A 51 14.810 27.362 -6.444 1.00 52.35 C ATOM 733 CG LEU A 51 15.092 28.461 -7.469 1.00 52.44 C ATOM 734 CD1 LEU A 51 15.890 27.908 -8.639 1.00 62.05 C ATOM 735 CD2 LEU A 51 13.791 29.084 -7.956 1.00 21.43 C ATOM 0 H LEU A 51 12.354 27.162 -6.357 1.00 40.13 H new ATOM 0 HA LEU A 51 14.308 25.993 -8.025 1.00 2.33 H new ATOM 0 HB2 LEU A 51 14.224 27.792 -5.632 1.00 52.35 H new ATOM 0 HB3 LEU A 51 15.759 27.039 -6.016 1.00 52.35 H new ATOM 0 HG LEU A 51 15.685 29.238 -6.986 1.00 52.44 H new ATOM 0 HD11 LEU A 51 16.081 28.705 -9.358 1.00 62.05 H new ATOM 0 HD12 LEU A 51 16.838 27.511 -8.277 1.00 62.05 H new ATOM 0 HD13 LEU A 51 15.324 27.112 -9.122 1.00 62.05 H new ATOM 0 HD21 LEU A 51 14.012 29.864 -8.685 1.00 21.43 H new ATOM 0 HD22 LEU A 51 13.172 28.317 -8.422 1.00 21.43 H new ATOM 0 HD23 LEU A 51 13.257 29.518 -7.111 1.00 21.43 H new ATOM 747 N ARG A 52 14.266 24.866 -4.907 1.00 10.03 N ATOM 748 CA ARG A 52 14.650 23.738 -4.067 1.00 60.53 C ATOM 749 C ARG A 52 14.002 22.447 -4.561 1.00 14.41 C ATOM 750 O ARG A 52 14.665 21.419 -4.699 1.00 32.03 O ATOM 751 CB ARG A 52 14.252 23.997 -2.613 1.00 52.23 C ATOM 752 CG ARG A 52 14.821 22.982 -1.635 1.00 42.54 C ATOM 753 CD ARG A 52 13.722 22.311 -0.827 1.00 24.41 C ATOM 754 NE ARG A 52 14.236 21.709 0.401 1.00 40.12 N ATOM 755 CZ ARG A 52 14.537 22.406 1.491 1.00 42.33 C ATOM 756 NH1 ARG A 52 14.376 23.722 1.505 1.00 5.32 N ATOM 757 NH2 ARG A 52 15.000 21.787 2.569 1.00 32.02 N ATOM 0 H ARG A 52 13.787 25.617 -4.411 1.00 10.03 H new ATOM 0 HA ARG A 52 15.733 23.627 -4.125 1.00 60.53 H new ATOM 0 HB2 ARG A 52 14.588 24.993 -2.325 1.00 52.23 H new ATOM 0 HB3 ARG A 52 13.165 23.992 -2.537 1.00 52.23 H new ATOM 0 HG2 ARG A 52 15.386 22.226 -2.181 1.00 42.54 H new ATOM 0 HG3 ARG A 52 15.520 23.477 -0.960 1.00 42.54 H new ATOM 0 HD2 ARG A 52 12.956 23.045 -0.578 1.00 24.41 H new ATOM 0 HD3 ARG A 52 13.243 21.543 -1.434 1.00 24.41 H new ATOM 0 HE ARG A 52 14.371 20.698 0.423 1.00 40.12 H new ATOM 0 HH11 ARG A 52 14.020 24.201 0.678 1.00 5.32 H new ATOM 0 HH12 ARG A 52 14.608 24.255 2.343 1.00 5.32 H new ATOM 0 HH21 ARG A 52 15.125 20.775 2.562 1.00 32.02 H new ATOM 0 HH22 ARG A 52 15.231 22.323 3.405 1.00 32.02 H new ATOM 771 N THR A 53 12.700 22.509 -4.825 1.00 61.33 N ATOM 772 CA THR A 53 11.961 21.346 -5.302 1.00 3.25 C ATOM 773 C THR A 53 12.500 20.865 -6.644 1.00 32.41 C ATOM 774 O THR A 53 12.551 19.663 -6.909 1.00 22.22 O ATOM 775 CB THR A 53 10.459 21.655 -5.445 1.00 1.21 C ATOM 776 OG1 THR A 53 9.906 22.001 -4.170 1.00 43.10 O ATOM 777 CG2 THR A 53 9.713 20.460 -6.020 1.00 3.45 C ATOM 0 H THR A 53 12.136 23.352 -4.717 1.00 61.33 H new ATOM 0 HA THR A 53 12.093 20.560 -4.558 1.00 3.25 H new ATOM 0 HB THR A 53 10.347 22.496 -6.129 1.00 1.21 H new ATOM 0 HG1 THR A 53 10.003 22.965 -4.022 1.00 43.10 H new ATOM 0 HG21 THR A 53 8.654 20.702 -6.112 1.00 3.45 H new ATOM 0 HG22 THR A 53 10.116 20.218 -7.003 1.00 3.45 H new ATOM 0 HG23 THR A 53 9.833 19.603 -5.357 1.00 3.45 H new ATOM 785 N LEU A 54 12.901 21.809 -7.488 1.00 71.40 N ATOM 786 CA LEU A 54 13.437 21.480 -8.804 1.00 41.34 C ATOM 787 C LEU A 54 14.599 20.498 -8.690 1.00 13.32 C ATOM 788 O LEU A 54 14.646 19.490 -9.396 1.00 53.42 O ATOM 789 CB LEU A 54 13.897 22.751 -9.521 1.00 24.01 C ATOM 790 CG LEU A 54 12.935 23.319 -10.564 1.00 52.41 C ATOM 791 CD1 LEU A 54 13.139 24.819 -10.718 1.00 31.40 C ATOM 792 CD2 LEU A 54 13.119 22.614 -11.900 1.00 42.40 C ATOM 0 H LEU A 54 12.865 22.808 -7.285 1.00 71.40 H new ATOM 0 HA LEU A 54 12.644 21.009 -9.384 1.00 41.34 H new ATOM 0 HB2 LEU A 54 14.083 23.520 -8.771 1.00 24.01 H new ATOM 0 HB3 LEU A 54 14.849 22.544 -10.009 1.00 24.01 H new ATOM 0 HG LEU A 54 11.915 23.145 -10.222 1.00 52.41 H new ATOM 0 HD11 LEU A 54 12.445 25.206 -11.465 1.00 31.40 H new ATOM 0 HD12 LEU A 54 12.955 25.311 -9.763 1.00 31.40 H new ATOM 0 HD13 LEU A 54 14.162 25.016 -11.037 1.00 31.40 H new ATOM 0 HD21 LEU A 54 12.426 23.032 -12.630 1.00 42.40 H new ATOM 0 HD22 LEU A 54 14.142 22.756 -12.248 1.00 42.40 H new ATOM 0 HD23 LEU A 54 12.921 21.549 -11.780 1.00 42.40 H new ATOM 804 N LEU A 55 15.533 20.798 -7.794 1.00 63.35 N ATOM 805 CA LEU A 55 16.695 19.940 -7.585 1.00 13.21 C ATOM 806 C LEU A 55 16.269 18.495 -7.346 1.00 53.21 C ATOM 807 O LEU A 55 16.842 17.567 -7.915 1.00 75.42 O ATOM 808 CB LEU A 55 17.518 20.444 -6.398 1.00 72.00 C ATOM 809 CG LEU A 55 18.775 19.640 -6.063 1.00 53.03 C ATOM 810 CD1 LEU A 55 20.016 20.507 -6.204 1.00 1.12 C ATOM 811 CD2 LEU A 55 18.681 19.064 -4.658 1.00 74.31 C ATOM 0 H LEU A 55 15.509 21.628 -7.201 1.00 63.35 H new ATOM 0 HA LEU A 55 17.308 19.974 -8.486 1.00 13.21 H new ATOM 0 HB2 LEU A 55 17.812 21.474 -6.597 1.00 72.00 H new ATOM 0 HB3 LEU A 55 16.876 20.460 -5.517 1.00 72.00 H new ATOM 0 HG LEU A 55 18.853 18.813 -6.768 1.00 53.03 H new ATOM 0 HD11 LEU A 55 20.901 19.918 -5.962 1.00 1.12 H new ATOM 0 HD12 LEU A 55 20.091 20.870 -7.229 1.00 1.12 H new ATOM 0 HD13 LEU A 55 19.947 21.355 -5.523 1.00 1.12 H new ATOM 0 HD21 LEU A 55 19.584 18.495 -4.437 1.00 74.31 H new ATOM 0 HD22 LEU A 55 18.578 19.876 -3.938 1.00 74.31 H new ATOM 0 HD23 LEU A 55 17.813 18.408 -4.591 1.00 74.31 H new ATOM 823 N ALA A 56 15.258 18.313 -6.502 1.00 42.41 N ATOM 824 CA ALA A 56 14.752 16.982 -6.191 1.00 44.24 C ATOM 825 C ALA A 56 14.015 16.383 -7.384 1.00 61.12 C ATOM 826 O ALA A 56 14.278 15.248 -7.784 1.00 41.35 O ATOM 827 CB ALA A 56 13.839 17.035 -4.976 1.00 12.10 C ATOM 0 H ALA A 56 14.773 19.071 -6.022 1.00 42.41 H new ATOM 0 HA ALA A 56 15.603 16.340 -5.964 1.00 44.24 H new ATOM 0 HB1 ALA A 56 13.468 16.034 -4.755 1.00 12.10 H new ATOM 0 HB2 ALA A 56 14.396 17.413 -4.119 1.00 12.10 H new ATOM 0 HB3 ALA A 56 12.997 17.696 -5.182 1.00 12.10 H new ATOM 833 N THR A 57 13.089 17.152 -7.949 1.00 21.20 N ATOM 834 CA THR A 57 12.312 16.696 -9.095 1.00 2.13 C ATOM 835 C THR A 57 13.221 16.190 -10.209 1.00 41.32 C ATOM 836 O THR A 57 13.072 15.064 -10.683 1.00 34.23 O ATOM 837 CB THR A 57 11.416 17.820 -9.649 1.00 23.13 C ATOM 838 OG1 THR A 57 12.225 18.898 -10.133 1.00 22.31 O ATOM 839 CG2 THR A 57 10.467 18.333 -8.577 1.00 2.55 C ATOM 0 H THR A 57 12.859 18.094 -7.631 1.00 21.20 H new ATOM 0 HA THR A 57 11.682 15.879 -8.745 1.00 2.13 H new ATOM 0 HB THR A 57 10.826 17.413 -10.470 1.00 23.13 H new ATOM 0 HG1 THR A 57 13.000 19.015 -9.545 1.00 22.31 H new ATOM 0 HG21 THR A 57 9.844 19.126 -8.991 1.00 2.55 H new ATOM 0 HG22 THR A 57 9.833 17.517 -8.232 1.00 2.55 H new ATOM 0 HG23 THR A 57 11.043 18.725 -7.738 1.00 2.55 H new ATOM 847 N VAL A 58 14.164 17.030 -10.624 1.00 65.11 N ATOM 848 CA VAL A 58 15.099 16.667 -11.682 1.00 64.33 C ATOM 849 C VAL A 58 15.828 15.370 -11.350 1.00 63.54 C ATOM 850 O VAL A 58 16.031 14.520 -12.218 1.00 62.00 O ATOM 851 CB VAL A 58 16.137 17.780 -11.920 1.00 64.54 C ATOM 852 CG1 VAL A 58 17.041 17.426 -13.092 1.00 32.52 C ATOM 853 CG2 VAL A 58 15.444 19.113 -12.155 1.00 70.01 C ATOM 0 H VAL A 58 14.301 17.966 -10.244 1.00 65.11 H new ATOM 0 HA VAL A 58 14.512 16.528 -12.590 1.00 64.33 H new ATOM 0 HB VAL A 58 16.757 17.871 -11.028 1.00 64.54 H new ATOM 0 HG11 VAL A 58 17.768 18.224 -13.245 1.00 32.52 H new ATOM 0 HG12 VAL A 58 17.565 16.494 -12.879 1.00 32.52 H new ATOM 0 HG13 VAL A 58 16.439 17.306 -13.993 1.00 32.52 H new ATOM 0 HG21 VAL A 58 16.192 19.888 -12.321 1.00 70.01 H new ATOM 0 HG22 VAL A 58 14.798 19.038 -13.030 1.00 70.01 H new ATOM 0 HG23 VAL A 58 14.844 19.370 -11.282 1.00 70.01 H new ATOM 863 N ASP A 59 16.219 15.223 -10.089 1.00 43.33 N ATOM 864 CA ASP A 59 16.925 14.028 -9.641 1.00 52.22 C ATOM 865 C ASP A 59 16.141 12.769 -9.997 1.00 70.25 C ATOM 866 O ASP A 59 16.724 11.739 -10.335 1.00 73.00 O ATOM 867 CB ASP A 59 17.162 14.086 -8.131 1.00 42.14 C ATOM 868 CG ASP A 59 18.387 13.299 -7.707 1.00 53.33 C ATOM 869 OD1 ASP A 59 19.491 13.608 -8.202 1.00 14.51 O ATOM 870 OD2 ASP A 59 18.241 12.374 -6.881 1.00 70.23 O ATOM 0 H ASP A 59 16.059 15.917 -9.359 1.00 43.33 H new ATOM 0 HA ASP A 59 17.888 13.992 -10.151 1.00 52.22 H new ATOM 0 HB2 ASP A 59 17.277 15.125 -7.824 1.00 42.14 H new ATOM 0 HB3 ASP A 59 16.286 13.696 -7.613 1.00 42.14 H new ATOM 875 N GLU A 60 14.817 12.860 -9.919 1.00 20.45 N ATOM 876 CA GLU A 60 13.954 11.726 -10.231 1.00 3.31 C ATOM 877 C GLU A 60 13.797 11.562 -11.740 1.00 22.11 C ATOM 878 O GLU A 60 13.459 10.483 -12.226 1.00 20.55 O ATOM 879 CB GLU A 60 12.581 11.908 -9.581 1.00 21.21 C ATOM 880 CG GLU A 60 12.648 12.249 -8.102 1.00 21.43 C ATOM 881 CD GLU A 60 11.816 11.311 -7.249 1.00 15.22 C ATOM 882 OE1 GLU A 60 12.182 10.122 -7.145 1.00 31.30 O ATOM 883 OE2 GLU A 60 10.798 11.766 -6.686 1.00 2.33 O ATOM 0 H GLU A 60 14.319 13.706 -9.643 1.00 20.45 H new ATOM 0 HA GLU A 60 14.421 10.826 -9.831 1.00 3.31 H new ATOM 0 HB2 GLU A 60 12.043 12.699 -10.104 1.00 21.21 H new ATOM 0 HB3 GLU A 60 12.004 10.992 -9.708 1.00 21.21 H new ATOM 0 HG2 GLU A 60 13.686 12.211 -7.771 1.00 21.43 H new ATOM 0 HG3 GLU A 60 12.303 13.272 -7.953 1.00 21.43 H new ATOM 890 N SER A 61 14.045 12.641 -12.476 1.00 33.22 N ATOM 891 CA SER A 61 13.927 12.618 -13.929 1.00 53.40 C ATOM 892 C SER A 61 15.087 11.852 -14.557 1.00 4.45 C ATOM 893 O SER A 61 14.974 11.330 -15.666 1.00 44.35 O ATOM 894 CB SER A 61 13.885 14.045 -14.480 1.00 72.25 C ATOM 895 OG SER A 61 15.141 14.421 -15.017 1.00 2.30 O ATOM 0 H SER A 61 14.329 13.541 -12.090 1.00 33.22 H new ATOM 0 HA SER A 61 12.998 12.109 -14.186 1.00 53.40 H new ATOM 0 HB2 SER A 61 13.119 14.118 -15.252 1.00 72.25 H new ATOM 0 HB3 SER A 61 13.604 14.737 -13.686 1.00 72.25 H new ATOM 0 HG SER A 61 15.780 14.561 -14.287 1.00 2.30 H new ATOM 901 N LEU A 62 16.203 11.789 -13.838 1.00 42.34 N ATOM 902 CA LEU A 62 17.386 11.087 -14.323 1.00 45.22 C ATOM 903 C LEU A 62 17.032 9.677 -14.784 1.00 42.02 C ATOM 904 O LEU A 62 17.214 9.313 -15.946 1.00 42.22 O ATOM 905 CB LEU A 62 18.452 11.025 -13.227 1.00 53.22 C ATOM 906 CG LEU A 62 19.658 11.946 -13.411 1.00 43.40 C ATOM 907 CD1 LEU A 62 20.321 12.232 -12.072 1.00 61.53 C ATOM 908 CD2 LEU A 62 20.656 11.331 -14.382 1.00 12.32 C ATOM 0 H LEU A 62 16.313 12.215 -12.918 1.00 42.34 H new ATOM 0 HA LEU A 62 17.782 11.639 -15.175 1.00 45.22 H new ATOM 0 HB2 LEU A 62 17.979 11.264 -12.274 1.00 53.22 H new ATOM 0 HB3 LEU A 62 18.812 9.999 -13.155 1.00 53.22 H new ATOM 0 HG LEU A 62 19.309 12.890 -13.829 1.00 43.40 H new ATOM 0 HD11 LEU A 62 21.177 12.889 -12.223 1.00 61.53 H new ATOM 0 HD12 LEU A 62 19.605 12.716 -11.408 1.00 61.53 H new ATOM 0 HD13 LEU A 62 20.656 11.296 -11.625 1.00 61.53 H new ATOM 0 HD21 LEU A 62 21.508 12.000 -14.501 1.00 12.32 H new ATOM 0 HD22 LEU A 62 20.999 10.373 -13.993 1.00 12.32 H new ATOM 0 HD23 LEU A 62 20.176 11.179 -15.349 1.00 12.32 H new ATOM 920 N PRO A 63 16.512 8.863 -13.854 1.00 12.24 N ATOM 921 CA PRO A 63 16.118 7.481 -14.142 1.00 22.23 C ATOM 922 C PRO A 63 14.887 7.403 -15.038 1.00 43.44 C ATOM 923 O PRO A 63 14.840 6.608 -15.977 1.00 14.20 O ATOM 924 CB PRO A 63 15.809 6.904 -12.758 1.00 13.42 C ATOM 925 CG PRO A 63 15.441 8.086 -11.929 1.00 12.32 C ATOM 926 CD PRO A 63 16.267 9.230 -12.449 1.00 0.13 C ATOM 0 HA PRO A 63 16.896 6.940 -14.681 1.00 22.23 H new ATOM 0 HB2 PRO A 63 14.993 6.182 -12.803 1.00 13.42 H new ATOM 0 HB3 PRO A 63 16.673 6.383 -12.344 1.00 13.42 H new ATOM 0 HG2 PRO A 63 14.376 8.304 -12.012 1.00 12.32 H new ATOM 0 HG3 PRO A 63 15.648 7.903 -10.875 1.00 12.32 H new ATOM 0 HD2 PRO A 63 15.736 10.178 -12.368 1.00 0.13 H new ATOM 0 HD3 PRO A 63 17.199 9.338 -11.894 1.00 0.13 H new ATOM 934 N VAL A 64 13.893 8.235 -14.744 1.00 32.23 N ATOM 935 CA VAL A 64 12.662 8.261 -15.525 1.00 11.54 C ATOM 936 C VAL A 64 12.959 8.399 -17.014 1.00 35.23 C ATOM 937 O VAL A 64 12.271 7.814 -17.852 1.00 33.14 O ATOM 938 CB VAL A 64 11.744 9.418 -15.086 1.00 42.34 C ATOM 939 CG1 VAL A 64 10.543 9.528 -16.013 1.00 60.32 C ATOM 940 CG2 VAL A 64 11.300 9.228 -13.644 1.00 75.01 C ATOM 0 H VAL A 64 13.916 8.900 -13.971 1.00 32.23 H new ATOM 0 HA VAL A 64 12.152 7.314 -15.346 1.00 11.54 H new ATOM 0 HB VAL A 64 12.307 10.349 -15.148 1.00 42.34 H new ATOM 0 HG11 VAL A 64 9.906 10.350 -15.687 1.00 60.32 H new ATOM 0 HG12 VAL A 64 10.885 9.715 -17.031 1.00 60.32 H new ATOM 0 HG13 VAL A 64 9.976 8.597 -15.986 1.00 60.32 H new ATOM 0 HG21 VAL A 64 10.652 10.054 -13.351 1.00 75.01 H new ATOM 0 HG22 VAL A 64 10.754 8.289 -13.552 1.00 75.01 H new ATOM 0 HG23 VAL A 64 12.175 9.204 -12.994 1.00 75.01 H new ATOM 950 N LEU A 65 13.987 9.175 -17.337 1.00 60.21 N ATOM 951 CA LEU A 65 14.376 9.389 -18.727 1.00 5.34 C ATOM 952 C LEU A 65 15.625 8.585 -19.072 1.00 63.34 C ATOM 953 O LEU A 65 16.393 8.179 -18.200 1.00 64.31 O ATOM 954 CB LEU A 65 14.627 10.876 -18.983 1.00 12.40 C ATOM 955 CG LEU A 65 13.389 11.724 -19.277 1.00 51.45 C ATOM 956 CD1 LEU A 65 12.744 11.292 -20.585 1.00 64.23 C ATOM 957 CD2 LEU A 65 12.392 11.628 -18.132 1.00 52.30 C ATOM 0 H LEU A 65 14.566 9.666 -16.656 1.00 60.21 H new ATOM 0 HA LEU A 65 13.559 9.049 -19.364 1.00 5.34 H new ATOM 0 HB2 LEU A 65 15.131 11.294 -18.112 1.00 12.40 H new ATOM 0 HB3 LEU A 65 15.314 10.969 -19.824 1.00 12.40 H new ATOM 0 HG LEU A 65 13.700 12.764 -19.375 1.00 51.45 H new ATOM 0 HD11 LEU A 65 11.865 11.907 -20.777 1.00 64.23 H new ATOM 0 HD12 LEU A 65 13.457 11.414 -21.400 1.00 64.23 H new ATOM 0 HD13 LEU A 65 12.447 10.245 -20.516 1.00 64.23 H new ATOM 0 HD21 LEU A 65 11.518 12.238 -18.359 1.00 52.30 H new ATOM 0 HD22 LEU A 65 12.086 10.590 -18.002 1.00 52.30 H new ATOM 0 HD23 LEU A 65 12.857 11.987 -17.214 1.00 52.30 H new ATOM 969 N PRO A 66 15.836 8.350 -20.376 1.00 72.51 N ATOM 970 CA PRO A 66 16.992 7.594 -20.868 1.00 1.34 C ATOM 971 C PRO A 66 18.300 8.358 -20.694 1.00 1.42 C ATOM 972 O PRO A 66 18.387 9.541 -21.022 1.00 42.20 O ATOM 973 CB PRO A 66 16.681 7.397 -22.353 1.00 43.14 C ATOM 974 CG PRO A 66 15.776 8.527 -22.704 1.00 71.13 C ATOM 975 CD PRO A 66 14.962 8.803 -21.471 1.00 14.43 C ATOM 0 HA PRO A 66 17.133 6.662 -20.321 1.00 1.34 H new ATOM 0 HB2 PRO A 66 17.590 7.417 -22.954 1.00 43.14 H new ATOM 0 HB3 PRO A 66 16.201 6.435 -22.533 1.00 43.14 H new ATOM 0 HG2 PRO A 66 16.347 9.407 -23.000 1.00 71.13 H new ATOM 0 HG3 PRO A 66 15.134 8.266 -23.545 1.00 71.13 H new ATOM 0 HD2 PRO A 66 14.719 9.861 -21.379 1.00 14.43 H new ATOM 0 HD3 PRO A 66 14.018 8.259 -21.483 1.00 14.43 H new ATOM 983 N ALA A 67 19.315 7.675 -20.176 1.00 22.40 N ATOM 984 CA ALA A 67 20.620 8.289 -19.961 1.00 75.11 C ATOM 985 C ALA A 67 21.216 8.784 -21.274 1.00 63.33 C ATOM 986 O ALA A 67 21.536 7.991 -22.160 1.00 32.42 O ATOM 987 CB ALA A 67 21.563 7.303 -19.289 1.00 21.41 C ATOM 0 H ALA A 67 19.259 6.695 -19.897 1.00 22.40 H new ATOM 0 HA ALA A 67 20.486 9.150 -19.306 1.00 75.11 H new ATOM 0 HB1 ALA A 67 22.533 7.775 -19.135 1.00 21.41 H new ATOM 0 HB2 ALA A 67 21.149 7.002 -18.327 1.00 21.41 H new ATOM 0 HB3 ALA A 67 21.683 6.425 -19.923 1.00 21.41 H new ATOM 993 N SER A 68 21.363 10.099 -21.394 1.00 2.44 N ATOM 994 CA SER A 68 21.918 10.700 -22.601 1.00 54.21 C ATOM 995 C SER A 68 21.917 12.223 -22.500 1.00 20.51 C ATOM 996 O SER A 68 22.806 12.893 -23.026 1.00 24.51 O ATOM 997 CB SER A 68 21.118 10.259 -23.829 1.00 4.12 C ATOM 998 OG SER A 68 21.970 9.719 -24.825 1.00 12.14 O ATOM 0 H SER A 68 21.105 10.769 -20.670 1.00 2.44 H new ATOM 0 HA SER A 68 22.949 10.361 -22.705 1.00 54.21 H new ATOM 0 HB2 SER A 68 20.378 9.515 -23.537 1.00 4.12 H new ATOM 0 HB3 SER A 68 20.571 11.110 -24.236 1.00 4.12 H new ATOM 0 HG SER A 68 21.435 9.443 -25.598 1.00 12.14 H new ATOM 1004 N THR A 69 20.911 12.764 -21.819 1.00 64.22 N ATOM 1005 CA THR A 69 20.793 14.206 -21.649 1.00 14.31 C ATOM 1006 C THR A 69 21.010 14.608 -20.195 1.00 10.14 C ATOM 1007 O THR A 69 20.492 15.627 -19.737 1.00 54.34 O ATOM 1008 CB THR A 69 19.413 14.715 -22.109 1.00 64.34 C ATOM 1009 OG1 THR A 69 19.357 16.142 -22.004 1.00 30.42 O ATOM 1010 CG2 THR A 69 18.302 14.095 -21.276 1.00 2.04 C ATOM 0 H THR A 69 20.167 12.225 -21.377 1.00 64.22 H new ATOM 0 HA THR A 69 21.566 14.661 -22.269 1.00 14.31 H new ATOM 0 HB THR A 69 19.271 14.422 -23.149 1.00 64.34 H new ATOM 0 HG1 THR A 69 19.674 16.418 -21.118 1.00 30.42 H new ATOM 0 HG21 THR A 69 17.338 14.469 -21.619 1.00 2.04 H new ATOM 0 HG22 THR A 69 18.329 13.011 -21.383 1.00 2.04 H new ATOM 0 HG23 THR A 69 18.442 14.360 -20.228 1.00 2.04 H new ATOM 1018 N HIS A 70 21.780 13.801 -19.471 1.00 43.44 N ATOM 1019 CA HIS A 70 22.067 14.074 -18.068 1.00 4.34 C ATOM 1020 C HIS A 70 23.189 15.100 -17.932 1.00 31.32 C ATOM 1021 O HIS A 70 23.212 15.888 -16.986 1.00 75.41 O ATOM 1022 CB HIS A 70 22.450 12.783 -17.343 1.00 43.52 C ATOM 1023 CG HIS A 70 23.568 12.036 -18.002 1.00 63.22 C ATOM 1024 ND1 HIS A 70 23.364 11.077 -18.972 1.00 33.02 N ATOM 1025 CD2 HIS A 70 24.908 12.112 -17.827 1.00 63.03 C ATOM 1026 CE1 HIS A 70 24.529 10.594 -19.364 1.00 4.35 C ATOM 1027 NE2 HIS A 70 25.483 11.206 -18.685 1.00 10.24 N ATOM 0 H HIS A 70 22.216 12.953 -19.833 1.00 43.44 H new ATOM 0 HA HIS A 70 21.166 14.484 -17.612 1.00 4.34 H new ATOM 0 HB2 HIS A 70 22.738 13.022 -16.319 1.00 43.52 H new ATOM 0 HB3 HIS A 70 21.575 12.135 -17.285 1.00 43.52 H new ATOM 0 HD2 HIS A 70 25.428 12.764 -17.141 1.00 63.03 H new ATOM 0 HE1 HIS A 70 24.677 9.829 -20.112 1.00 4.35 H new ATOM 0 HE2 HIS A 70 26.484 11.034 -18.782 1.00 10.24 H new ATOM 1035 N ARG A 71 24.118 15.083 -18.882 1.00 53.03 N ATOM 1036 CA ARG A 71 25.243 16.010 -18.867 1.00 70.13 C ATOM 1037 C ARG A 71 24.760 17.448 -18.703 1.00 5.12 C ATOM 1038 O ARG A 71 25.070 18.107 -17.711 1.00 22.44 O ATOM 1039 CB ARG A 71 26.057 15.878 -20.156 1.00 21.13 C ATOM 1040 CG ARG A 71 27.533 16.192 -19.978 1.00 45.52 C ATOM 1041 CD ARG A 71 28.255 16.254 -21.316 1.00 13.04 C ATOM 1042 NE ARG A 71 28.167 14.991 -22.043 1.00 62.23 N ATOM 1043 CZ ARG A 71 28.928 13.935 -21.777 1.00 43.11 C ATOM 1044 NH1 ARG A 71 29.828 13.991 -20.805 1.00 63.22 N ATOM 1045 NH2 ARG A 71 28.789 12.821 -22.484 1.00 25.43 N ATOM 0 H ARG A 71 24.114 14.437 -19.672 1.00 53.03 H new ATOM 0 HA ARG A 71 25.878 15.759 -18.017 1.00 70.13 H new ATOM 0 HB2 ARG A 71 25.954 14.863 -20.539 1.00 21.13 H new ATOM 0 HB3 ARG A 71 25.640 16.547 -20.909 1.00 21.13 H new ATOM 0 HG2 ARG A 71 27.644 17.144 -19.459 1.00 45.52 H new ATOM 0 HG3 ARG A 71 27.995 15.431 -19.349 1.00 45.52 H new ATOM 0 HD2 ARG A 71 27.827 17.052 -21.922 1.00 13.04 H new ATOM 0 HD3 ARG A 71 29.303 16.506 -21.151 1.00 13.04 H new ATOM 0 HE ARG A 71 27.484 14.915 -22.797 1.00 62.23 H new ATOM 0 HH11 ARG A 71 29.937 14.846 -20.260 1.00 63.22 H new ATOM 0 HH12 ARG A 71 30.411 13.179 -20.603 1.00 63.22 H new ATOM 0 HH21 ARG A 71 28.098 12.775 -23.232 1.00 25.43 H new ATOM 0 HH22 ARG A 71 29.374 12.011 -22.279 1.00 25.43 H new ATOM 1059 N GLU A 72 24.001 17.928 -19.683 1.00 3.00 N ATOM 1060 CA GLU A 72 23.478 19.289 -19.647 1.00 31.55 C ATOM 1061 C GLU A 72 22.746 19.555 -18.334 1.00 43.01 C ATOM 1062 O GLU A 72 22.968 20.578 -17.685 1.00 34.53 O ATOM 1063 CB GLU A 72 22.534 19.527 -20.827 1.00 11.31 C ATOM 1064 CG GLU A 72 21.449 18.472 -20.962 1.00 65.42 C ATOM 1065 CD GLU A 72 20.668 18.601 -22.255 1.00 71.42 C ATOM 1066 OE1 GLU A 72 21.243 18.319 -23.327 1.00 73.13 O ATOM 1067 OE2 GLU A 72 19.481 18.983 -22.194 1.00 54.33 O ATOM 0 H GLU A 72 23.735 17.395 -20.511 1.00 3.00 H new ATOM 0 HA GLU A 72 24.320 19.977 -19.720 1.00 31.55 H new ATOM 0 HB2 GLU A 72 22.066 20.505 -20.715 1.00 11.31 H new ATOM 0 HB3 GLU A 72 23.117 19.556 -21.747 1.00 11.31 H new ATOM 0 HG2 GLU A 72 21.902 17.482 -20.913 1.00 65.42 H new ATOM 0 HG3 GLU A 72 20.763 18.551 -20.118 1.00 65.42 H new ATOM 1074 N ILE A 73 21.874 18.629 -17.951 1.00 62.41 N ATOM 1075 CA ILE A 73 21.111 18.763 -16.717 1.00 34.21 C ATOM 1076 C ILE A 73 22.033 18.958 -15.518 1.00 52.33 C ATOM 1077 O ILE A 73 21.776 19.798 -14.656 1.00 42.13 O ATOM 1078 CB ILE A 73 20.220 17.531 -16.469 1.00 53.13 C ATOM 1079 CG1 ILE A 73 19.230 17.350 -17.622 1.00 43.23 C ATOM 1080 CG2 ILE A 73 19.481 17.669 -15.147 1.00 14.23 C ATOM 1081 CD1 ILE A 73 18.545 16.002 -17.624 1.00 74.22 C ATOM 0 H ILE A 73 21.678 17.778 -18.478 1.00 62.41 H new ATOM 0 HA ILE A 73 20.478 19.643 -16.832 1.00 34.21 H new ATOM 0 HB ILE A 73 20.855 16.647 -16.417 1.00 53.13 H new ATOM 0 HG12 ILE A 73 18.474 18.133 -17.567 1.00 43.23 H new ATOM 0 HG13 ILE A 73 19.757 17.482 -18.567 1.00 43.23 H new ATOM 0 HG21 ILE A 73 18.856 16.791 -14.986 1.00 14.23 H new ATOM 0 HG22 ILE A 73 20.202 17.755 -14.334 1.00 14.23 H new ATOM 0 HG23 ILE A 73 18.855 18.561 -15.172 1.00 14.23 H new ATOM 0 HD11 ILE A 73 17.858 15.944 -18.468 1.00 74.22 H new ATOM 0 HD12 ILE A 73 19.293 15.214 -17.710 1.00 74.22 H new ATOM 0 HD13 ILE A 73 17.989 15.875 -16.695 1.00 74.22 H new ATOM 1093 N GLU A 74 23.108 18.178 -15.472 1.00 61.03 N ATOM 1094 CA GLU A 74 24.069 18.267 -14.379 1.00 63.34 C ATOM 1095 C GLU A 74 24.530 19.707 -14.175 1.00 54.22 C ATOM 1096 O GLU A 74 24.537 20.214 -13.054 1.00 1.31 O ATOM 1097 CB GLU A 74 25.276 17.369 -14.658 1.00 65.32 C ATOM 1098 CG GLU A 74 25.345 16.145 -13.760 1.00 71.24 C ATOM 1099 CD GLU A 74 26.678 15.427 -13.853 1.00 15.22 C ATOM 1100 OE1 GLU A 74 27.193 15.274 -14.980 1.00 33.01 O ATOM 1101 OE2 GLU A 74 27.205 15.019 -12.797 1.00 3.21 O ATOM 0 H GLU A 74 23.335 17.478 -16.178 1.00 61.03 H new ATOM 0 HA GLU A 74 23.576 17.929 -13.468 1.00 63.34 H new ATOM 0 HB2 GLU A 74 25.244 17.045 -15.698 1.00 65.32 H new ATOM 0 HB3 GLU A 74 26.188 17.952 -14.534 1.00 65.32 H new ATOM 0 HG2 GLU A 74 25.170 16.447 -12.727 1.00 71.24 H new ATOM 0 HG3 GLU A 74 24.545 15.455 -14.030 1.00 71.24 H new ATOM 1108 N MET A 75 24.913 20.360 -15.267 1.00 42.04 N ATOM 1109 CA MET A 75 25.374 21.742 -15.209 1.00 3.34 C ATOM 1110 C MET A 75 24.231 22.681 -14.837 1.00 3.41 C ATOM 1111 O MET A 75 24.432 23.669 -14.131 1.00 50.31 O ATOM 1112 CB MET A 75 25.976 22.159 -16.552 1.00 41.20 C ATOM 1113 CG MET A 75 27.419 21.718 -16.735 1.00 3.25 C ATOM 1114 SD MET A 75 28.469 23.030 -17.389 1.00 71.02 S ATOM 1115 CE MET A 75 27.666 23.356 -18.957 1.00 32.33 C ATOM 0 H MET A 75 24.913 19.954 -16.203 1.00 42.04 H new ATOM 0 HA MET A 75 26.142 21.810 -14.439 1.00 3.34 H new ATOM 0 HB2 MET A 75 25.372 21.740 -17.357 1.00 41.20 H new ATOM 0 HB3 MET A 75 25.922 23.244 -16.644 1.00 41.20 H new ATOM 0 HG2 MET A 75 27.817 21.383 -15.777 1.00 3.25 H new ATOM 0 HG3 MET A 75 27.451 20.862 -17.410 1.00 3.25 H new ATOM 0 HE1 MET A 75 28.286 24.029 -19.550 1.00 32.33 H new ATOM 0 HE2 MET A 75 27.528 22.419 -19.497 1.00 32.33 H new ATOM 0 HE3 MET A 75 26.695 23.819 -18.779 1.00 32.33 H new ATOM 1125 N ALA A 76 23.033 22.367 -15.317 1.00 33.51 N ATOM 1126 CA ALA A 76 21.858 23.181 -15.033 1.00 50.52 C ATOM 1127 C ALA A 76 21.512 23.148 -13.548 1.00 61.04 C ATOM 1128 O ALA A 76 21.002 24.124 -12.999 1.00 74.23 O ATOM 1129 CB ALA A 76 20.674 22.708 -15.864 1.00 2.23 C ATOM 0 H ALA A 76 22.850 21.554 -15.905 1.00 33.51 H new ATOM 0 HA ALA A 76 22.088 24.212 -15.302 1.00 50.52 H new ATOM 0 HB1 ALA A 76 19.804 23.325 -15.641 1.00 2.23 H new ATOM 0 HB2 ALA A 76 20.917 22.791 -16.923 1.00 2.23 H new ATOM 0 HB3 ALA A 76 20.453 21.668 -15.623 1.00 2.23 H new ATOM 1135 N GLN A 77 21.793 22.019 -12.906 1.00 12.15 N ATOM 1136 CA GLN A 77 21.509 21.859 -11.484 1.00 44.32 C ATOM 1137 C GLN A 77 22.246 22.911 -10.661 1.00 33.23 C ATOM 1138 O GLN A 77 21.628 23.700 -9.945 1.00 73.52 O ATOM 1139 CB GLN A 77 21.908 20.458 -11.017 1.00 53.15 C ATOM 1140 CG GLN A 77 20.759 19.462 -11.034 1.00 4.10 C ATOM 1141 CD GLN A 77 21.224 18.032 -10.839 1.00 43.32 C ATOM 1142 OE1 GLN A 77 21.868 17.452 -11.714 1.00 75.21 O ATOM 1143 NE2 GLN A 77 20.901 17.456 -9.688 1.00 35.05 N ATOM 0 H GLN A 77 22.216 21.202 -13.347 1.00 12.15 H new ATOM 0 HA GLN A 77 20.437 21.992 -11.336 1.00 44.32 H new ATOM 0 HB2 GLN A 77 22.710 20.086 -11.654 1.00 53.15 H new ATOM 0 HB3 GLN A 77 22.308 20.521 -10.005 1.00 53.15 H new ATOM 0 HG2 GLN A 77 20.048 19.719 -10.249 1.00 4.10 H new ATOM 0 HG3 GLN A 77 20.228 19.541 -11.983 1.00 4.10 H new ATOM 0 HE21 GLN A 77 20.366 17.974 -8.991 1.00 35.05 H new ATOM 0 HE22 GLN A 77 21.188 16.495 -9.500 1.00 35.05 H new ATOM 1152 N LYS A 78 23.570 22.917 -10.766 1.00 22.30 N ATOM 1153 CA LYS A 78 24.392 23.872 -10.032 1.00 64.52 C ATOM 1154 C LYS A 78 23.909 25.299 -10.268 1.00 4.14 C ATOM 1155 O LYS A 78 23.807 26.093 -9.331 1.00 45.24 O ATOM 1156 CB LYS A 78 25.858 23.742 -10.452 1.00 43.00 C ATOM 1157 CG LYS A 78 26.769 23.254 -9.339 1.00 0.34 C ATOM 1158 CD LYS A 78 28.144 22.882 -9.866 1.00 64.42 C ATOM 1159 CE LYS A 78 28.671 21.617 -9.206 1.00 33.52 C ATOM 1160 NZ LYS A 78 29.497 21.920 -8.005 1.00 2.40 N ATOM 0 H LYS A 78 24.098 22.271 -11.353 1.00 22.30 H new ATOM 0 HA LYS A 78 24.304 23.649 -8.969 1.00 64.52 H new ATOM 0 HB2 LYS A 78 25.926 23.053 -11.294 1.00 43.00 H new ATOM 0 HB3 LYS A 78 26.214 24.711 -10.803 1.00 43.00 H new ATOM 0 HG2 LYS A 78 26.867 24.031 -8.581 1.00 0.34 H new ATOM 0 HG3 LYS A 78 26.319 22.389 -8.852 1.00 0.34 H new ATOM 0 HD2 LYS A 78 28.094 22.737 -10.945 1.00 64.42 H new ATOM 0 HD3 LYS A 78 28.838 23.703 -9.687 1.00 64.42 H new ATOM 0 HE2 LYS A 78 27.833 20.981 -8.919 1.00 33.52 H new ATOM 0 HE3 LYS A 78 29.267 21.054 -9.924 1.00 33.52 H new ATOM 0 HZ1 LYS A 78 29.837 21.032 -7.584 1.00 2.40 H new ATOM 0 HZ2 LYS A 78 30.311 22.506 -8.282 1.00 2.40 H new ATOM 0 HZ3 LYS A 78 28.921 22.435 -7.308 1.00 2.40 H new ATOM 1174 N LEU A 79 23.612 25.619 -11.522 1.00 70.22 N ATOM 1175 CA LEU A 79 23.138 26.951 -11.880 1.00 53.14 C ATOM 1176 C LEU A 79 21.886 27.315 -11.088 1.00 60.21 C ATOM 1177 O LEU A 79 21.750 28.439 -10.602 1.00 64.43 O ATOM 1178 CB LEU A 79 22.845 27.024 -13.380 1.00 71.40 C ATOM 1179 CG LEU A 79 22.737 28.428 -13.976 1.00 33.33 C ATOM 1180 CD1 LEU A 79 24.067 28.858 -14.574 1.00 61.40 C ATOM 1181 CD2 LEU A 79 21.636 28.478 -15.026 1.00 4.44 C ATOM 0 H LEU A 79 23.691 24.974 -12.308 1.00 70.22 H new ATOM 0 HA LEU A 79 23.922 27.667 -11.634 1.00 53.14 H new ATOM 0 HB2 LEU A 79 23.631 26.486 -13.910 1.00 71.40 H new ATOM 0 HB3 LEU A 79 21.911 26.496 -13.573 1.00 71.40 H new ATOM 0 HG LEU A 79 22.481 29.123 -13.176 1.00 33.33 H new ATOM 0 HD11 LEU A 79 23.971 29.860 -14.993 1.00 61.40 H new ATOM 0 HD12 LEU A 79 24.831 28.862 -13.797 1.00 61.40 H new ATOM 0 HD13 LEU A 79 24.354 28.161 -15.361 1.00 61.40 H new ATOM 0 HD21 LEU A 79 21.573 29.485 -15.440 1.00 4.44 H new ATOM 0 HD22 LEU A 79 21.862 27.771 -15.824 1.00 4.44 H new ATOM 0 HD23 LEU A 79 20.683 28.214 -14.567 1.00 4.44 H new ATOM 1193 N LEU A 80 20.975 26.357 -10.960 1.00 34.04 N ATOM 1194 CA LEU A 80 19.734 26.575 -10.224 1.00 0.14 C ATOM 1195 C LEU A 80 20.020 27.061 -8.806 1.00 51.34 C ATOM 1196 O LEU A 80 19.434 28.040 -8.345 1.00 73.44 O ATOM 1197 CB LEU A 80 18.912 25.286 -10.177 1.00 23.33 C ATOM 1198 CG LEU A 80 17.594 25.301 -10.952 1.00 4.11 C ATOM 1199 CD1 LEU A 80 17.832 25.695 -12.401 1.00 43.53 C ATOM 1200 CD2 LEU A 80 16.913 23.943 -10.872 1.00 33.12 C ATOM 0 H LEU A 80 21.072 25.422 -11.356 1.00 34.04 H new ATOM 0 HA LEU A 80 19.163 27.344 -10.744 1.00 0.14 H new ATOM 0 HB2 LEU A 80 19.527 24.472 -10.562 1.00 23.33 H new ATOM 0 HB3 LEU A 80 18.694 25.056 -9.134 1.00 23.33 H new ATOM 0 HG LEU A 80 16.936 26.042 -10.498 1.00 4.11 H new ATOM 0 HD11 LEU A 80 16.883 25.700 -12.937 1.00 43.53 H new ATOM 0 HD12 LEU A 80 18.276 26.690 -12.439 1.00 43.53 H new ATOM 0 HD13 LEU A 80 18.508 24.978 -12.867 1.00 43.53 H new ATOM 0 HD21 LEU A 80 15.977 23.972 -11.429 1.00 33.12 H new ATOM 0 HD22 LEU A 80 17.566 23.183 -11.300 1.00 33.12 H new ATOM 0 HD23 LEU A 80 16.708 23.700 -9.830 1.00 33.12 H new ATOM 1212 N ASN A 81 20.926 26.372 -8.121 1.00 65.24 N ATOM 1213 CA ASN A 81 21.292 26.734 -6.757 1.00 13.52 C ATOM 1214 C ASN A 81 21.668 28.210 -6.668 1.00 52.44 C ATOM 1215 O ASN A 81 21.001 28.992 -5.990 1.00 61.02 O ATOM 1216 CB ASN A 81 22.457 25.870 -6.272 1.00 31.34 C ATOM 1217 CG ASN A 81 22.230 24.394 -6.534 1.00 71.53 C ATOM 1218 OD1 ASN A 81 23.122 23.692 -7.010 1.00 65.21 O ATOM 1219 ND2 ASN A 81 21.030 23.915 -6.225 1.00 3.34 N ATOM 0 H ASN A 81 21.421 25.559 -8.488 1.00 65.24 H new ATOM 0 HA ASN A 81 20.427 26.558 -6.117 1.00 13.52 H new ATOM 0 HB2 ASN A 81 23.373 26.188 -6.770 1.00 31.34 H new ATOM 0 HB3 ASN A 81 22.603 26.028 -5.203 1.00 31.34 H new ATOM 0 HD21 ASN A 81 20.819 22.929 -6.380 1.00 3.34 H new ATOM 0 HD22 ASN A 81 20.320 24.533 -5.832 1.00 3.34 H new ATOM 1226 N SER A 82 22.740 28.585 -7.359 1.00 21.41 N ATOM 1227 CA SER A 82 23.207 29.966 -7.356 1.00 64.02 C ATOM 1228 C SER A 82 22.078 30.922 -7.726 1.00 15.33 C ATOM 1229 O SER A 82 21.893 31.959 -7.087 1.00 62.15 O ATOM 1230 CB SER A 82 24.373 30.134 -8.333 1.00 0.23 C ATOM 1231 OG SER A 82 25.548 30.549 -7.658 1.00 11.23 O ATOM 0 H SER A 82 23.301 27.951 -7.928 1.00 21.41 H new ATOM 0 HA SER A 82 23.548 30.206 -6.349 1.00 64.02 H new ATOM 0 HB2 SER A 82 24.559 29.191 -8.848 1.00 0.23 H new ATOM 0 HB3 SER A 82 24.110 30.867 -9.096 1.00 0.23 H new ATOM 0 HG SER A 82 26.279 30.647 -8.304 1.00 11.23 H new ATOM 1237 N ASP A 83 21.324 30.566 -8.760 1.00 44.34 N ATOM 1238 CA ASP A 83 20.211 31.391 -9.216 1.00 3.23 C ATOM 1239 C ASP A 83 19.253 31.693 -8.068 1.00 21.44 C ATOM 1240 O ASP A 83 18.839 32.836 -7.875 1.00 14.43 O ATOM 1241 CB ASP A 83 19.462 30.693 -10.352 1.00 23.23 C ATOM 1242 CG ASP A 83 20.193 30.795 -11.676 1.00 51.51 C ATOM 1243 OD1 ASP A 83 20.818 31.847 -11.929 1.00 64.41 O ATOM 1244 OD2 ASP A 83 20.140 29.824 -12.459 1.00 40.52 O ATOM 0 H ASP A 83 21.463 29.711 -9.299 1.00 44.34 H new ATOM 0 HA ASP A 83 20.617 32.333 -9.585 1.00 3.23 H new ATOM 0 HB2 ASP A 83 19.321 29.642 -10.098 1.00 23.23 H new ATOM 0 HB3 ASP A 83 18.470 31.133 -10.453 1.00 23.23 H new ATOM 1249 N LEU A 84 18.904 30.660 -7.309 1.00 31.32 N ATOM 1250 CA LEU A 84 17.993 30.813 -6.180 1.00 1.14 C ATOM 1251 C LEU A 84 18.476 31.910 -5.236 1.00 31.23 C ATOM 1252 O LEU A 84 17.835 32.952 -5.100 1.00 65.20 O ATOM 1253 CB LEU A 84 17.863 29.492 -5.420 1.00 65.53 C ATOM 1254 CG LEU A 84 17.045 29.537 -4.129 1.00 64.32 C ATOM 1255 CD1 LEU A 84 15.683 30.163 -4.382 1.00 73.43 C ATOM 1256 CD2 LEU A 84 16.893 28.140 -3.546 1.00 35.44 C ATOM 0 H LEU A 84 19.238 29.707 -7.455 1.00 31.32 H new ATOM 0 HA LEU A 84 17.016 31.098 -6.570 1.00 1.14 H new ATOM 0 HB2 LEU A 84 17.413 28.756 -6.086 1.00 65.53 H new ATOM 0 HB3 LEU A 84 18.864 29.134 -5.180 1.00 65.53 H new ATOM 0 HG LEU A 84 17.576 30.155 -3.405 1.00 64.32 H new ATOM 0 HD11 LEU A 84 15.115 30.187 -3.452 1.00 73.43 H new ATOM 0 HD12 LEU A 84 15.813 31.179 -4.754 1.00 73.43 H new ATOM 0 HD13 LEU A 84 15.143 29.572 -5.122 1.00 73.43 H new ATOM 0 HD21 LEU A 84 16.308 28.191 -2.628 1.00 35.44 H new ATOM 0 HD22 LEU A 84 16.384 27.499 -4.266 1.00 35.44 H new ATOM 0 HD23 LEU A 84 17.878 27.728 -3.327 1.00 35.44 H new ATOM 1268 N ALA A 85 19.610 31.668 -4.587 1.00 44.02 N ATOM 1269 CA ALA A 85 20.181 32.637 -3.660 1.00 24.44 C ATOM 1270 C ALA A 85 20.301 34.012 -4.307 1.00 2.11 C ATOM 1271 O ALA A 85 20.113 35.035 -3.650 1.00 10.32 O ATOM 1272 CB ALA A 85 21.541 32.161 -3.171 1.00 24.02 C ATOM 0 H ALA A 85 20.151 30.809 -4.686 1.00 44.02 H new ATOM 0 HA ALA A 85 19.510 32.724 -2.806 1.00 24.44 H new ATOM 0 HB1 ALA A 85 21.956 32.894 -2.479 1.00 24.02 H new ATOM 0 HB2 ALA A 85 21.430 31.204 -2.662 1.00 24.02 H new ATOM 0 HB3 ALA A 85 22.213 32.044 -4.021 1.00 24.02 H new ATOM 1278 N GLU A 86 20.616 34.028 -5.598 1.00 61.04 N ATOM 1279 CA GLU A 86 20.762 35.279 -6.333 1.00 3.10 C ATOM 1280 C GLU A 86 19.477 36.099 -6.273 1.00 34.14 C ATOM 1281 O GLU A 86 19.510 37.313 -6.069 1.00 1.23 O ATOM 1282 CB GLU A 86 21.134 35.000 -7.791 1.00 21.13 C ATOM 1283 CG GLU A 86 22.569 35.365 -8.134 1.00 14.23 C ATOM 1284 CD GLU A 86 22.668 36.243 -9.366 1.00 43.11 C ATOM 1285 OE1 GLU A 86 22.217 35.804 -10.445 1.00 22.23 O ATOM 1286 OE2 GLU A 86 23.197 37.368 -9.252 1.00 42.53 O ATOM 0 H GLU A 86 20.775 33.189 -6.156 1.00 61.04 H new ATOM 0 HA GLU A 86 21.561 35.854 -5.865 1.00 3.10 H new ATOM 0 HB2 GLU A 86 20.977 33.942 -8.001 1.00 21.13 H new ATOM 0 HB3 GLU A 86 20.461 35.558 -8.442 1.00 21.13 H new ATOM 0 HG2 GLU A 86 23.021 35.881 -7.287 1.00 14.23 H new ATOM 0 HG3 GLU A 86 23.144 34.453 -8.295 1.00 14.23 H new ATOM 1293 N LEU A 87 18.345 35.427 -6.452 1.00 12.01 N ATOM 1294 CA LEU A 87 17.047 36.092 -6.419 1.00 12.14 C ATOM 1295 C LEU A 87 16.657 36.454 -4.989 1.00 73.30 C ATOM 1296 O LEU A 87 16.190 37.562 -4.724 1.00 75.23 O ATOM 1297 CB LEU A 87 15.976 35.194 -7.040 1.00 54.21 C ATOM 1298 CG LEU A 87 16.307 34.605 -8.412 1.00 14.13 C ATOM 1299 CD1 LEU A 87 15.685 33.225 -8.564 1.00 44.41 C ATOM 1300 CD2 LEU A 87 15.829 35.532 -9.520 1.00 10.42 C ATOM 0 H LEU A 87 18.300 34.422 -6.621 1.00 12.01 H new ATOM 0 HA LEU A 87 17.122 37.012 -6.999 1.00 12.14 H new ATOM 0 HB2 LEU A 87 15.776 34.372 -6.353 1.00 54.21 H new ATOM 0 HB3 LEU A 87 15.054 35.769 -7.126 1.00 54.21 H new ATOM 0 HG LEU A 87 17.389 34.504 -8.492 1.00 14.13 H new ATOM 0 HD11 LEU A 87 15.931 32.821 -9.546 1.00 44.41 H new ATOM 0 HD12 LEU A 87 16.075 32.563 -7.791 1.00 44.41 H new ATOM 0 HD13 LEU A 87 14.602 33.301 -8.464 1.00 44.41 H new ATOM 0 HD21 LEU A 87 16.073 35.097 -10.489 1.00 10.42 H new ATOM 0 HD22 LEU A 87 14.750 35.665 -9.443 1.00 10.42 H new ATOM 0 HD23 LEU A 87 16.321 36.500 -9.423 1.00 10.42 H new ATOM 1312 N ILE A 88 16.854 35.513 -4.072 1.00 34.14 N ATOM 1313 CA ILE A 88 16.526 35.734 -2.669 1.00 15.12 C ATOM 1314 C ILE A 88 17.172 37.014 -2.148 1.00 74.52 C ATOM 1315 O ILE A 88 16.531 37.810 -1.464 1.00 1.30 O ATOM 1316 CB ILE A 88 16.976 34.551 -1.792 1.00 4.12 C ATOM 1317 CG1 ILE A 88 16.312 33.256 -2.264 1.00 1.05 C ATOM 1318 CG2 ILE A 88 16.648 34.819 -0.331 1.00 2.53 C ATOM 1319 CD1 ILE A 88 16.948 32.008 -1.693 1.00 21.14 C ATOM 0 H ILE A 88 17.239 34.591 -4.275 1.00 34.14 H new ATOM 0 HA ILE A 88 15.442 35.827 -2.610 1.00 15.12 H new ATOM 0 HB ILE A 88 18.056 34.439 -1.886 1.00 4.12 H new ATOM 0 HG12 ILE A 88 15.258 33.276 -1.987 1.00 1.05 H new ATOM 0 HG13 ILE A 88 16.355 33.211 -3.352 1.00 1.05 H new ATOM 0 HG21 ILE A 88 16.972 33.974 0.276 1.00 2.53 H new ATOM 0 HG22 ILE A 88 17.164 35.721 -0.002 1.00 2.53 H new ATOM 0 HG23 ILE A 88 15.572 34.955 -0.219 1.00 2.53 H new ATOM 0 HD11 ILE A 88 16.426 31.128 -2.070 1.00 21.14 H new ATOM 0 HD12 ILE A 88 17.996 31.964 -1.991 1.00 21.14 H new ATOM 0 HD13 ILE A 88 16.881 32.031 -0.605 1.00 21.14 H new ATOM 1331 N ASN A 89 18.445 37.204 -2.479 1.00 53.01 N ATOM 1332 CA ASN A 89 19.178 38.388 -2.046 1.00 21.10 C ATOM 1333 C ASN A 89 18.555 39.655 -2.623 1.00 53.20 C ATOM 1334 O ASN A 89 18.205 40.579 -1.888 1.00 31.10 O ATOM 1335 CB ASN A 89 20.645 38.289 -2.471 1.00 34.55 C ATOM 1336 CG ASN A 89 21.593 38.321 -1.287 1.00 54.23 C ATOM 1337 OD1 ASN A 89 21.347 39.014 -0.300 1.00 11.22 O ATOM 1338 ND2 ASN A 89 22.683 37.570 -1.382 1.00 62.42 N ATOM 0 H ASN A 89 18.990 36.554 -3.045 1.00 53.01 H new ATOM 0 HA ASN A 89 19.124 38.440 -0.959 1.00 21.10 H new ATOM 0 HB2 ASN A 89 20.797 37.366 -3.030 1.00 34.55 H new ATOM 0 HB3 ASN A 89 20.882 39.112 -3.145 1.00 34.55 H new ATOM 0 HD21 ASN A 89 23.358 37.551 -0.617 1.00 62.42 H new ATOM 0 HD22 ASN A 89 22.846 37.011 -2.220 1.00 62.42 H new ATOM 1345 N LYS A 90 18.418 39.692 -3.944 1.00 41.12 N ATOM 1346 CA LYS A 90 17.835 40.844 -4.622 1.00 3.23 C ATOM 1347 C LYS A 90 16.462 41.176 -4.047 1.00 2.54 C ATOM 1348 O LYS A 90 16.208 42.309 -3.637 1.00 24.34 O ATOM 1349 CB LYS A 90 17.719 40.574 -6.123 1.00 61.55 C ATOM 1350 CG LYS A 90 18.035 41.783 -6.986 1.00 2.32 C ATOM 1351 CD LYS A 90 18.676 41.378 -8.302 1.00 71.55 C ATOM 1352 CE LYS A 90 20.114 40.924 -8.106 1.00 4.10 C ATOM 1353 NZ LYS A 90 21.042 41.592 -9.061 1.00 33.22 N ATOM 0 H LYS A 90 18.703 38.937 -4.567 1.00 41.12 H new ATOM 0 HA LYS A 90 18.493 41.699 -4.463 1.00 3.23 H new ATOM 0 HB2 LYS A 90 18.394 39.761 -6.390 1.00 61.55 H new ATOM 0 HB3 LYS A 90 16.707 40.234 -6.345 1.00 61.55 H new ATOM 0 HG2 LYS A 90 17.119 42.340 -7.183 1.00 2.32 H new ATOM 0 HG3 LYS A 90 18.704 42.452 -6.445 1.00 2.32 H new ATOM 0 HD2 LYS A 90 18.098 40.573 -8.757 1.00 71.55 H new ATOM 0 HD3 LYS A 90 18.650 42.219 -8.994 1.00 71.55 H new ATOM 0 HE2 LYS A 90 20.427 41.140 -7.084 1.00 4.10 H new ATOM 0 HE3 LYS A 90 20.175 39.844 -8.236 1.00 4.10 H new ATOM 0 HZ1 LYS A 90 22.012 41.256 -8.895 1.00 33.22 H new ATOM 0 HZ2 LYS A 90 20.759 41.366 -10.036 1.00 33.22 H new ATOM 0 HZ3 LYS A 90 21.004 42.622 -8.920 1.00 33.22 H new ATOM 1367 N MET A 91 15.581 40.182 -4.018 1.00 40.04 N ATOM 1368 CA MET A 91 14.235 40.369 -3.490 1.00 54.35 C ATOM 1369 C MET A 91 14.278 40.775 -2.021 1.00 5.42 C ATOM 1370 O MET A 91 13.453 41.563 -1.559 1.00 12.14 O ATOM 1371 CB MET A 91 13.417 39.086 -3.653 1.00 10.50 C ATOM 1372 CG MET A 91 13.207 38.679 -5.102 1.00 41.24 C ATOM 1373 SD MET A 91 11.875 37.480 -5.301 1.00 2.01 S ATOM 1374 CE MET A 91 10.444 38.557 -5.279 1.00 61.14 C ATOM 0 H MET A 91 15.775 39.239 -4.354 1.00 40.04 H new ATOM 0 HA MET A 91 13.758 41.170 -4.056 1.00 54.35 H new ATOM 0 HB2 MET A 91 13.919 38.275 -3.126 1.00 10.50 H new ATOM 0 HB3 MET A 91 12.445 39.222 -3.178 1.00 10.50 H new ATOM 0 HG2 MET A 91 12.984 39.566 -5.696 1.00 41.24 H new ATOM 0 HG3 MET A 91 14.132 38.257 -5.494 1.00 41.24 H new ATOM 0 HE1 MET A 91 9.579 38.021 -5.669 1.00 61.14 H new ATOM 0 HE2 MET A 91 10.243 38.874 -4.256 1.00 61.14 H new ATOM 0 HE3 MET A 91 10.638 39.432 -5.899 1.00 61.14 H new ATOM 1384 N LYS A 92 15.247 40.233 -1.290 1.00 73.33 N ATOM 1385 CA LYS A 92 15.400 40.539 0.127 1.00 34.30 C ATOM 1386 C LYS A 92 15.681 42.023 0.336 1.00 44.21 C ATOM 1387 O LYS A 92 15.207 42.626 1.299 1.00 13.24 O ATOM 1388 CB LYS A 92 16.531 39.704 0.731 1.00 42.01 C ATOM 1389 CG LYS A 92 17.106 40.292 2.008 1.00 42.22 C ATOM 1390 CD LYS A 92 16.033 40.482 3.067 1.00 62.01 C ATOM 1391 CE LYS A 92 16.371 39.728 4.344 1.00 2.31 C ATOM 1392 NZ LYS A 92 15.732 38.384 4.380 1.00 31.15 N ATOM 0 H LYS A 92 15.939 39.579 -1.657 1.00 73.33 H new ATOM 0 HA LYS A 92 14.465 40.290 0.630 1.00 34.30 H new ATOM 0 HB2 LYS A 92 16.160 38.700 0.938 1.00 42.01 H new ATOM 0 HB3 LYS A 92 17.329 39.603 -0.004 1.00 42.01 H new ATOM 0 HG2 LYS A 92 17.886 39.635 2.393 1.00 42.22 H new ATOM 0 HG3 LYS A 92 17.576 41.251 1.789 1.00 42.22 H new ATOM 0 HD2 LYS A 92 15.923 41.544 3.288 1.00 62.01 H new ATOM 0 HD3 LYS A 92 15.074 40.135 2.681 1.00 62.01 H new ATOM 0 HE2 LYS A 92 17.452 39.618 4.426 1.00 2.31 H new ATOM 0 HE3 LYS A 92 16.044 40.309 5.206 1.00 2.31 H new ATOM 0 HZ1 LYS A 92 15.446 38.161 5.355 1.00 31.15 H new ATOM 0 HZ2 LYS A 92 14.894 38.382 3.764 1.00 31.15 H new ATOM 0 HZ3 LYS A 92 16.409 37.669 4.046 1.00 31.15 H new ATOM 1406 N LEU A 93 16.455 42.607 -0.573 1.00 12.34 N ATOM 1407 CA LEU A 93 16.799 44.023 -0.489 1.00 34.42 C ATOM 1408 C LEU A 93 15.565 44.896 -0.696 1.00 21.35 C ATOM 1409 O LEU A 93 15.272 45.775 0.114 1.00 44.32 O ATOM 1410 CB LEU A 93 17.864 44.371 -1.529 1.00 44.21 C ATOM 1411 CG LEU A 93 19.281 43.880 -1.229 1.00 70.55 C ATOM 1412 CD1 LEU A 93 19.881 43.203 -2.452 1.00 72.50 C ATOM 1413 CD2 LEU A 93 20.160 45.034 -0.771 1.00 64.15 C ATOM 0 H LEU A 93 16.856 42.122 -1.376 1.00 12.34 H new ATOM 0 HA LEU A 93 17.196 44.217 0.507 1.00 34.42 H new ATOM 0 HB2 LEU A 93 17.554 43.959 -2.489 1.00 44.21 H new ATOM 0 HB3 LEU A 93 17.893 45.455 -1.642 1.00 44.21 H new ATOM 0 HG LEU A 93 19.228 43.148 -0.423 1.00 70.55 H new ATOM 0 HD11 LEU A 93 20.889 42.860 -2.220 1.00 72.50 H new ATOM 0 HD12 LEU A 93 19.264 42.350 -2.735 1.00 72.50 H new ATOM 0 HD13 LEU A 93 19.920 43.913 -3.278 1.00 72.50 H new ATOM 0 HD21 LEU A 93 21.164 44.666 -0.562 1.00 64.15 H new ATOM 0 HD22 LEU A 93 20.206 45.790 -1.555 1.00 64.15 H new ATOM 0 HD23 LEU A 93 19.740 45.475 0.133 1.00 64.15 H new ATOM 1425 N ALA A 94 14.844 44.645 -1.784 1.00 25.34 N ATOM 1426 CA ALA A 94 13.640 45.405 -2.094 1.00 62.14 C ATOM 1427 C ALA A 94 12.645 45.352 -0.940 1.00 52.44 C ATOM 1428 O ALA A 94 11.815 46.248 -0.784 1.00 4.02 O ATOM 1429 CB ALA A 94 13.000 44.880 -3.371 1.00 15.12 C ATOM 0 H ALA A 94 15.073 43.921 -2.465 1.00 25.34 H new ATOM 0 HA ALA A 94 13.925 46.446 -2.245 1.00 62.14 H new ATOM 0 HB1 ALA A 94 12.101 45.456 -3.591 1.00 15.12 H new ATOM 0 HB2 ALA A 94 13.704 44.976 -4.197 1.00 15.12 H new ATOM 0 HB3 ALA A 94 12.735 43.831 -3.240 1.00 15.12 H new ATOM 1435 N GLN A 95 12.733 44.298 -0.136 1.00 61.13 N ATOM 1436 CA GLN A 95 11.838 44.129 1.003 1.00 44.24 C ATOM 1437 C GLN A 95 11.916 45.331 1.939 1.00 65.51 C ATOM 1438 O GLN A 95 10.893 45.861 2.369 1.00 34.43 O ATOM 1439 CB GLN A 95 12.185 42.850 1.766 1.00 63.44 C ATOM 1440 CG GLN A 95 10.968 42.105 2.290 1.00 2.02 C ATOM 1441 CD GLN A 95 11.313 40.731 2.831 1.00 53.31 C ATOM 1442 OE1 GLN A 95 12.314 40.559 3.527 1.00 73.50 O ATOM 1443 NE2 GLN A 95 10.483 39.745 2.513 1.00 31.51 N ATOM 0 H GLN A 95 13.415 43.548 -0.252 1.00 61.13 H new ATOM 0 HA GLN A 95 10.819 44.052 0.624 1.00 44.24 H new ATOM 0 HB2 GLN A 95 12.751 42.188 1.111 1.00 63.44 H new ATOM 0 HB3 GLN A 95 12.835 43.102 2.604 1.00 63.44 H new ATOM 0 HG2 GLN A 95 10.498 42.694 3.078 1.00 2.02 H new ATOM 0 HG3 GLN A 95 10.236 42.003 1.488 1.00 2.02 H new ATOM 0 HE21 GLN A 95 9.665 39.934 1.933 1.00 31.51 H new ATOM 0 HE22 GLN A 95 10.663 38.799 2.848 1.00 31.51 H new ATOM 1452 N GLN A 96 13.137 45.754 2.250 1.00 64.22 N ATOM 1453 CA GLN A 96 13.348 46.892 3.136 1.00 10.23 C ATOM 1454 C GLN A 96 13.492 48.184 2.338 1.00 2.05 C ATOM 1455 O GLN A 96 13.219 49.272 2.846 1.00 50.35 O ATOM 1456 CB GLN A 96 14.591 46.670 3.999 1.00 3.33 C ATOM 1457 CG GLN A 96 15.103 47.937 4.666 1.00 33.15 C ATOM 1458 CD GLN A 96 15.713 47.673 6.029 1.00 43.22 C ATOM 1459 OE1 GLN A 96 15.170 46.911 6.828 1.00 31.44 O ATOM 1460 NE2 GLN A 96 16.850 48.304 6.301 1.00 73.04 N ATOM 0 H GLN A 96 13.995 45.326 1.902 1.00 64.22 H new ATOM 0 HA GLN A 96 12.476 46.982 3.784 1.00 10.23 H new ATOM 0 HB2 GLN A 96 14.362 45.932 4.768 1.00 3.33 H new ATOM 0 HB3 GLN A 96 15.383 46.250 3.379 1.00 3.33 H new ATOM 0 HG2 GLN A 96 15.848 48.406 4.023 1.00 33.15 H new ATOM 0 HG3 GLN A 96 14.281 48.645 4.771 1.00 33.15 H new ATOM 0 HE21 GLN A 96 17.266 48.927 5.609 1.00 73.04 H new ATOM 0 HE22 GLN A 96 17.307 48.165 7.202 1.00 73.04 H new ATOM 1469 N TYR A 97 13.923 48.056 1.089 1.00 41.45 N ATOM 1470 CA TYR A 97 14.106 49.214 0.221 1.00 4.13 C ATOM 1471 C TYR A 97 12.854 49.477 -0.609 1.00 34.23 C ATOM 1472 O TYR A 97 12.935 49.766 -1.803 1.00 12.35 O ATOM 1473 CB TYR A 97 15.308 49.001 -0.701 1.00 53.44 C ATOM 1474 CG TYR A 97 16.641 49.136 -0.001 1.00 12.23 C ATOM 1475 CD1 TYR A 97 17.044 50.351 0.540 1.00 14.20 C ATOM 1476 CD2 TYR A 97 17.498 48.049 0.120 1.00 52.43 C ATOM 1477 CE1 TYR A 97 18.261 50.479 1.180 1.00 10.45 C ATOM 1478 CE2 TYR A 97 18.716 48.168 0.760 1.00 42.02 C ATOM 1479 CZ TYR A 97 19.093 49.385 1.288 1.00 24.02 C ATOM 1480 OH TYR A 97 20.307 49.508 1.925 1.00 30.43 O ATOM 0 H TYR A 97 14.152 47.162 0.654 1.00 41.45 H new ATOM 0 HA TYR A 97 14.290 50.084 0.852 1.00 4.13 H new ATOM 0 HB2 TYR A 97 15.241 48.009 -1.148 1.00 53.44 H new ATOM 0 HB3 TYR A 97 15.261 49.722 -1.517 1.00 53.44 H new ATOM 0 HD1 TYR A 97 16.394 51.210 0.459 1.00 14.20 H new ATOM 0 HD2 TYR A 97 17.207 47.095 -0.293 1.00 52.43 H new ATOM 0 HE1 TYR A 97 18.559 51.431 1.594 1.00 10.45 H new ATOM 0 HE2 TYR A 97 19.370 47.313 0.847 1.00 42.02 H new ATOM 0 HH TYR A 97 20.770 48.645 1.916 1.00 30.43 H new ATOM 1490 N VAL A 98 11.694 49.374 0.033 1.00 1.22 N ATOM 1491 CA VAL A 98 10.423 49.602 -0.643 1.00 52.14 C ATOM 1492 C VAL A 98 9.711 50.826 -0.078 1.00 42.23 C ATOM 1493 O VAL A 98 8.999 51.529 -0.795 1.00 60.52 O ATOM 1494 CB VAL A 98 9.494 48.379 -0.520 1.00 2.51 C ATOM 1495 CG1 VAL A 98 9.316 47.989 0.939 1.00 3.14 C ATOM 1496 CG2 VAL A 98 8.150 48.664 -1.172 1.00 13.21 C ATOM 0 H VAL A 98 11.609 49.134 1.021 1.00 1.22 H new ATOM 0 HA VAL A 98 10.651 49.772 -1.695 1.00 52.14 H new ATOM 0 HB VAL A 98 9.955 47.540 -1.042 1.00 2.51 H new ATOM 0 HG11 VAL A 98 8.657 47.123 1.006 1.00 3.14 H new ATOM 0 HG12 VAL A 98 10.286 47.741 1.370 1.00 3.14 H new ATOM 0 HG13 VAL A 98 8.877 48.823 1.488 1.00 3.14 H new ATOM 0 HG21 VAL A 98 7.506 47.790 -1.076 1.00 13.21 H new ATOM 0 HG22 VAL A 98 7.680 49.516 -0.680 1.00 13.21 H new ATOM 0 HG23 VAL A 98 8.299 48.891 -2.228 1.00 13.21 H new ATOM 1506 N MET A 99 9.909 51.076 1.212 1.00 64.11 N ATOM 1507 CA MET A 99 9.288 52.217 1.873 1.00 15.23 C ATOM 1508 C MET A 99 9.813 53.530 1.301 1.00 24.13 C ATOM 1509 O MET A 99 9.233 54.593 1.523 1.00 12.13 O ATOM 1510 CB MET A 99 9.546 52.164 3.380 1.00 25.12 C ATOM 1511 CG MET A 99 8.541 52.958 4.198 1.00 31.00 C ATOM 1512 SD MET A 99 9.329 54.115 5.334 1.00 11.22 S ATOM 1513 CE MET A 99 10.230 55.155 4.188 1.00 62.25 C ATOM 0 H MET A 99 10.495 50.504 1.820 1.00 64.11 H new ATOM 0 HA MET A 99 8.214 52.167 1.694 1.00 15.23 H new ATOM 0 HB2 MET A 99 9.527 51.124 3.707 1.00 25.12 H new ATOM 0 HB3 MET A 99 10.547 52.544 3.582 1.00 25.12 H new ATOM 0 HG2 MET A 99 7.883 53.507 3.524 1.00 31.00 H new ATOM 0 HG3 MET A 99 7.914 52.269 4.764 1.00 31.00 H new ATOM 0 HE1 MET A 99 10.827 55.878 4.744 1.00 62.25 H new ATOM 0 HE2 MET A 99 10.887 54.537 3.575 1.00 62.25 H new ATOM 0 HE3 MET A 99 9.526 55.684 3.546 1.00 62.25 H new ATOM 1523 N THR A 100 10.917 53.449 0.564 1.00 54.32 N ATOM 1524 CA THR A 100 11.521 54.631 -0.038 1.00 63.35 C ATOM 1525 C THR A 100 10.854 54.974 -1.365 1.00 53.41 C ATOM 1526 O THR A 100 10.052 55.905 -1.445 1.00 32.14 O ATOM 1527 CB THR A 100 13.031 54.432 -0.273 1.00 33.23 C ATOM 1528 OG1 THR A 100 13.298 53.067 -0.616 1.00 55.51 O ATOM 1529 CG2 THR A 100 13.826 54.813 0.967 1.00 35.31 C ATOM 0 H THR A 100 11.410 52.578 0.370 1.00 54.32 H new ATOM 0 HA THR A 100 11.374 55.453 0.663 1.00 63.35 H new ATOM 0 HB THR A 100 13.337 55.079 -1.095 1.00 33.23 H new ATOM 0 HG1 THR A 100 14.259 52.949 -0.765 1.00 55.51 H new ATOM 0 HG21 THR A 100 14.889 54.664 0.778 1.00 35.31 H new ATOM 0 HG22 THR A 100 13.643 55.860 1.209 1.00 35.31 H new ATOM 0 HG23 THR A 100 13.516 54.188 1.804 1.00 35.31 H new ATOM 1537 N SER A 101 11.189 54.217 -2.405 1.00 1.22 N ATOM 1538 CA SER A 101 10.624 54.444 -3.730 1.00 13.04 C ATOM 1539 C SER A 101 11.241 53.496 -4.753 1.00 44.34 C ATOM 1540 O SER A 101 10.591 53.099 -5.721 1.00 33.01 O ATOM 1541 CB SER A 101 10.847 55.895 -4.161 1.00 61.20 C ATOM 1542 OG SER A 101 11.137 55.976 -5.546 1.00 11.22 O ATOM 0 H SER A 101 11.849 53.441 -2.356 1.00 1.22 H new ATOM 0 HA SER A 101 9.553 54.249 -3.680 1.00 13.04 H new ATOM 0 HB2 SER A 101 9.958 56.485 -3.937 1.00 61.20 H new ATOM 0 HB3 SER A 101 11.668 56.326 -3.588 1.00 61.20 H new ATOM 0 HG SER A 101 11.274 56.913 -5.797 1.00 11.22 H new ATOM 1548 N LEU A 102 12.501 53.138 -4.533 1.00 64.23 N ATOM 1549 CA LEU A 102 13.209 52.236 -5.436 1.00 1.31 C ATOM 1550 C LEU A 102 12.775 50.791 -5.213 1.00 55.24 C ATOM 1551 O LEU A 102 13.597 49.925 -4.918 1.00 61.22 O ATOM 1552 CB LEU A 102 14.720 52.363 -5.234 1.00 1.31 C ATOM 1553 CG LEU A 102 15.231 53.751 -4.846 1.00 42.45 C ATOM 1554 CD1 LEU A 102 16.750 53.757 -4.762 1.00 34.33 C ATOM 1555 CD2 LEU A 102 14.747 54.795 -5.843 1.00 2.15 C ATOM 0 H LEU A 102 13.054 53.458 -3.738 1.00 64.23 H new ATOM 0 HA LEU A 102 12.960 52.517 -6.459 1.00 1.31 H new ATOM 0 HB2 LEU A 102 15.024 51.657 -4.461 1.00 1.31 H new ATOM 0 HB3 LEU A 102 15.216 52.060 -6.156 1.00 1.31 H new ATOM 0 HG LEU A 102 14.832 54.002 -3.863 1.00 42.45 H new ATOM 0 HD11 LEU A 102 17.095 54.753 -4.485 1.00 34.33 H new ATOM 0 HD12 LEU A 102 17.076 53.038 -4.010 1.00 34.33 H new ATOM 0 HD13 LEU A 102 17.169 53.484 -5.731 1.00 34.33 H new ATOM 0 HD21 LEU A 102 15.120 55.777 -5.552 1.00 2.15 H new ATOM 0 HD22 LEU A 102 15.117 54.547 -6.838 1.00 2.15 H new ATOM 0 HD23 LEU A 102 13.657 54.810 -5.854 1.00 2.15 H new ATOM 1567 N GLN A 103 11.478 50.540 -5.359 1.00 74.44 N ATOM 1568 CA GLN A 103 10.935 49.199 -5.176 1.00 33.13 C ATOM 1569 C GLN A 103 10.779 48.486 -6.515 1.00 43.31 C ATOM 1570 O GLN A 103 11.263 47.369 -6.693 1.00 61.13 O ATOM 1571 CB GLN A 103 9.584 49.266 -4.461 1.00 2.23 C ATOM 1572 CG GLN A 103 8.603 50.233 -5.104 1.00 32.22 C ATOM 1573 CD GLN A 103 7.392 50.502 -4.232 1.00 5.15 C ATOM 1574 OE1 GLN A 103 7.368 51.465 -3.464 1.00 31.42 O ATOM 1575 NE2 GLN A 103 6.379 49.651 -4.345 1.00 44.33 N ATOM 0 H GLN A 103 10.784 51.247 -5.603 1.00 74.44 H new ATOM 0 HA GLN A 103 11.636 48.632 -4.563 1.00 33.13 H new ATOM 0 HB2 GLN A 103 9.141 48.270 -4.444 1.00 2.23 H new ATOM 0 HB3 GLN A 103 9.745 49.561 -3.424 1.00 2.23 H new ATOM 0 HG2 GLN A 103 9.111 51.174 -5.314 1.00 32.22 H new ATOM 0 HG3 GLN A 103 8.274 49.828 -6.061 1.00 32.22 H new ATOM 0 HE21 GLN A 103 6.442 48.867 -4.994 1.00 44.33 H new ATOM 0 HE22 GLN A 103 5.538 49.782 -3.783 1.00 44.33 H new ATOM 1584 N GLN A 104 10.101 49.140 -7.453 1.00 4.43 N ATOM 1585 CA GLN A 104 9.882 48.568 -8.776 1.00 32.15 C ATOM 1586 C GLN A 104 11.208 48.238 -9.453 1.00 52.20 C ATOM 1587 O GLN A 104 11.327 47.228 -10.145 1.00 21.43 O ATOM 1588 CB GLN A 104 9.077 49.535 -9.646 1.00 4.01 C ATOM 1589 CG GLN A 104 7.596 49.573 -9.305 1.00 25.42 C ATOM 1590 CD GLN A 104 6.922 50.846 -9.774 1.00 53.40 C ATOM 1591 OE1 GLN A 104 7.321 51.442 -10.775 1.00 70.43 O ATOM 1592 NE2 GLN A 104 5.892 51.272 -9.051 1.00 42.14 N ATOM 0 H GLN A 104 9.694 50.066 -7.321 1.00 4.43 H new ATOM 0 HA GLN A 104 9.317 47.643 -8.656 1.00 32.15 H new ATOM 0 HB2 GLN A 104 9.492 50.537 -9.539 1.00 4.01 H new ATOM 0 HB3 GLN A 104 9.193 49.252 -10.692 1.00 4.01 H new ATOM 0 HG2 GLN A 104 7.100 48.715 -9.760 1.00 25.42 H new ATOM 0 HG3 GLN A 104 7.473 49.477 -8.226 1.00 25.42 H new ATOM 0 HE21 GLN A 104 5.594 50.747 -8.229 1.00 42.14 H new ATOM 0 HE22 GLN A 104 5.399 52.124 -9.318 1.00 42.14 H new ATOM 1601 N GLU A 105 12.201 49.098 -9.249 1.00 51.21 N ATOM 1602 CA GLU A 105 13.518 48.898 -9.842 1.00 31.40 C ATOM 1603 C GLU A 105 14.049 47.502 -9.528 1.00 3.13 C ATOM 1604 O GLU A 105 14.344 46.720 -10.432 1.00 4.21 O ATOM 1605 CB GLU A 105 14.498 49.956 -9.331 1.00 22.40 C ATOM 1606 CG GLU A 105 14.372 50.234 -7.843 1.00 31.14 C ATOM 1607 CD GLU A 105 15.608 49.824 -7.066 1.00 32.24 C ATOM 1608 OE1 GLU A 105 16.630 50.535 -7.160 1.00 64.45 O ATOM 1609 OE2 GLU A 105 15.553 48.793 -6.363 1.00 72.12 O ATOM 0 H GLU A 105 12.118 49.939 -8.678 1.00 51.21 H new ATOM 0 HA GLU A 105 13.421 48.996 -10.923 1.00 31.40 H new ATOM 0 HB2 GLU A 105 15.516 49.631 -9.546 1.00 22.40 H new ATOM 0 HB3 GLU A 105 14.337 50.884 -9.880 1.00 22.40 H new ATOM 0 HG2 GLU A 105 14.188 51.297 -7.690 1.00 31.14 H new ATOM 0 HG3 GLU A 105 13.507 49.701 -7.450 1.00 31.14 H new ATOM 1616 N TYR A 106 14.169 47.197 -8.240 1.00 51.34 N ATOM 1617 CA TYR A 106 14.667 45.898 -7.806 1.00 24.22 C ATOM 1618 C TYR A 106 13.883 44.766 -8.462 1.00 34.00 C ATOM 1619 O TYR A 106 14.443 43.727 -8.812 1.00 32.13 O ATOM 1620 CB TYR A 106 14.580 45.778 -6.283 1.00 63.04 C ATOM 1621 CG TYR A 106 15.928 45.786 -5.597 1.00 53.33 C ATOM 1622 CD1 TYR A 106 16.947 44.939 -6.015 1.00 33.24 C ATOM 1623 CD2 TYR A 106 16.182 46.641 -4.531 1.00 75.54 C ATOM 1624 CE1 TYR A 106 18.179 44.942 -5.390 1.00 42.24 C ATOM 1625 CE2 TYR A 106 17.411 46.652 -3.902 1.00 63.13 C ATOM 1626 CZ TYR A 106 18.407 45.801 -4.335 1.00 73.22 C ATOM 1627 OH TYR A 106 19.633 45.808 -3.710 1.00 53.12 O ATOM 0 H TYR A 106 13.928 47.832 -7.479 1.00 51.34 H new ATOM 0 HA TYR A 106 15.710 45.817 -8.112 1.00 24.22 H new ATOM 0 HB2 TYR A 106 13.980 46.601 -5.896 1.00 63.04 H new ATOM 0 HB3 TYR A 106 14.058 44.856 -6.029 1.00 63.04 H new ATOM 0 HD1 TYR A 106 16.773 44.267 -6.842 1.00 33.24 H new ATOM 0 HD2 TYR A 106 15.405 47.308 -4.189 1.00 75.54 H new ATOM 0 HE1 TYR A 106 18.960 44.275 -5.726 1.00 42.24 H new ATOM 0 HE2 TYR A 106 17.592 47.323 -3.075 1.00 63.13 H new ATOM 0 HH TYR A 106 20.329 45.560 -4.353 1.00 53.12 H new ATOM 1637 N LYS A 107 12.581 44.976 -8.627 1.00 31.53 N ATOM 1638 CA LYS A 107 11.716 43.976 -9.242 1.00 64.25 C ATOM 1639 C LYS A 107 11.985 43.873 -10.741 1.00 33.05 C ATOM 1640 O LYS A 107 11.897 42.793 -11.325 1.00 32.11 O ATOM 1641 CB LYS A 107 10.246 44.324 -9.000 1.00 21.14 C ATOM 1642 CG LYS A 107 9.811 44.150 -7.555 1.00 14.32 C ATOM 1643 CD LYS A 107 8.756 45.172 -7.164 1.00 3.14 C ATOM 1644 CE LYS A 107 8.106 44.821 -5.834 1.00 71.03 C ATOM 1645 NZ LYS A 107 9.093 44.810 -4.719 1.00 42.45 N ATOM 0 H LYS A 107 12.102 45.830 -8.343 1.00 31.53 H new ATOM 0 HA LYS A 107 11.934 43.012 -8.783 1.00 64.25 H new ATOM 0 HB2 LYS A 107 10.071 45.357 -9.302 1.00 21.14 H new ATOM 0 HB3 LYS A 107 9.623 43.696 -9.637 1.00 21.14 H new ATOM 0 HG2 LYS A 107 9.416 43.144 -7.411 1.00 14.32 H new ATOM 0 HG3 LYS A 107 10.676 44.249 -6.899 1.00 14.32 H new ATOM 0 HD2 LYS A 107 9.212 46.160 -7.098 1.00 3.14 H new ATOM 0 HD3 LYS A 107 7.993 45.224 -7.941 1.00 3.14 H new ATOM 0 HE2 LYS A 107 7.318 45.541 -5.614 1.00 71.03 H new ATOM 0 HE3 LYS A 107 7.632 43.842 -5.909 1.00 71.03 H new ATOM 0 HZ1 LYS A 107 8.638 45.155 -3.850 1.00 42.45 H new ATOM 0 HZ2 LYS A 107 9.436 43.840 -4.569 1.00 42.45 H new ATOM 0 HZ3 LYS A 107 9.895 45.427 -4.959 1.00 42.45 H new ATOM 1659 N LYS A 108 12.314 45.003 -11.357 1.00 15.10 N ATOM 1660 CA LYS A 108 12.598 45.041 -12.787 1.00 33.34 C ATOM 1661 C LYS A 108 13.771 44.130 -13.132 1.00 65.11 C ATOM 1662 O LYS A 108 13.615 43.153 -13.864 1.00 22.22 O ATOM 1663 CB LYS A 108 12.903 46.474 -13.229 1.00 72.53 C ATOM 1664 CG LYS A 108 11.789 47.109 -14.044 1.00 21.51 C ATOM 1665 CD LYS A 108 12.233 48.422 -14.666 1.00 74.12 C ATOM 1666 CE LYS A 108 11.628 48.616 -16.048 1.00 63.04 C ATOM 1667 NZ LYS A 108 11.499 50.057 -16.400 1.00 14.33 N ATOM 0 H LYS A 108 12.391 45.906 -10.888 1.00 15.10 H new ATOM 0 HA LYS A 108 11.715 44.684 -13.318 1.00 33.34 H new ATOM 0 HB2 LYS A 108 13.090 47.086 -12.346 1.00 72.53 H new ATOM 0 HB3 LYS A 108 13.820 46.476 -13.819 1.00 72.53 H new ATOM 0 HG2 LYS A 108 11.474 46.422 -14.829 1.00 21.51 H new ATOM 0 HG3 LYS A 108 10.923 47.282 -13.405 1.00 21.51 H new ATOM 0 HD2 LYS A 108 11.940 49.250 -14.020 1.00 74.12 H new ATOM 0 HD3 LYS A 108 13.320 48.443 -14.737 1.00 74.12 H new ATOM 0 HE2 LYS A 108 12.250 48.115 -16.790 1.00 63.04 H new ATOM 0 HE3 LYS A 108 10.646 48.144 -16.084 1.00 63.04 H new ATOM 0 HZ1 LYS A 108 11.083 50.147 -17.349 1.00 14.33 H new ATOM 0 HZ2 LYS A 108 10.885 50.530 -15.707 1.00 14.33 H new ATOM 0 HZ3 LYS A 108 12.439 50.502 -16.391 1.00 14.33 H new ATOM 1681 N GLN A 109 14.945 44.456 -12.600 1.00 13.42 N ATOM 1682 CA GLN A 109 16.144 43.666 -12.852 1.00 51.22 C ATOM 1683 C GLN A 109 15.912 42.199 -12.506 1.00 51.13 C ATOM 1684 O GLN A 109 16.300 41.305 -13.258 1.00 52.42 O ATOM 1685 CB GLN A 109 17.321 44.213 -12.042 1.00 54.54 C ATOM 1686 CG GLN A 109 17.044 44.302 -10.550 1.00 74.23 C ATOM 1687 CD GLN A 109 17.708 45.501 -9.903 1.00 40.03 C ATOM 1688 OE1 GLN A 109 18.803 45.395 -9.351 1.00 3.44 O ATOM 1689 NE2 GLN A 109 17.047 46.651 -9.969 1.00 4.11 N ATOM 0 H GLN A 109 15.091 45.262 -11.992 1.00 13.42 H new ATOM 0 HA GLN A 109 16.379 43.737 -13.914 1.00 51.22 H new ATOM 0 HB2 GLN A 109 18.190 43.576 -12.204 1.00 54.54 H new ATOM 0 HB3 GLN A 109 17.578 45.204 -12.415 1.00 54.54 H new ATOM 0 HG2 GLN A 109 15.968 44.356 -10.387 1.00 74.23 H new ATOM 0 HG3 GLN A 109 17.395 43.391 -10.064 1.00 74.23 H new ATOM 0 HE21 GLN A 109 16.142 46.693 -10.437 1.00 4.11 H new ATOM 0 HE22 GLN A 109 17.445 47.493 -9.552 1.00 4.11 H new ATOM 1698 N MET A 110 15.277 41.959 -11.364 1.00 23.15 N ATOM 1699 CA MET A 110 14.993 40.599 -10.919 1.00 1.42 C ATOM 1700 C MET A 110 14.087 39.880 -11.913 1.00 51.41 C ATOM 1701 O MET A 110 14.264 38.692 -12.182 1.00 74.54 O ATOM 1702 CB MET A 110 14.339 40.619 -9.536 1.00 72.40 C ATOM 1703 CG MET A 110 14.589 39.356 -8.728 1.00 24.14 C ATOM 1704 SD MET A 110 13.315 38.106 -8.979 1.00 74.22 S ATOM 1705 CE MET A 110 11.869 38.968 -8.366 1.00 23.22 C ATOM 0 H MET A 110 14.949 42.688 -10.730 1.00 23.15 H new ATOM 0 HA MET A 110 15.937 40.058 -10.859 1.00 1.42 H new ATOM 0 HB2 MET A 110 14.713 41.477 -8.978 1.00 72.40 H new ATOM 0 HB3 MET A 110 13.264 40.759 -9.653 1.00 72.40 H new ATOM 0 HG2 MET A 110 15.559 38.941 -9.002 1.00 24.14 H new ATOM 0 HG3 MET A 110 14.639 39.611 -7.669 1.00 24.14 H new ATOM 0 HE1 MET A 110 11.162 38.247 -7.955 1.00 23.22 H new ATOM 0 HE2 MET A 110 12.167 39.669 -7.586 1.00 23.22 H new ATOM 0 HE3 MET A 110 11.397 39.514 -9.183 1.00 23.22 H new ATOM 1715 N LEU A 111 13.117 40.608 -12.455 1.00 74.23 N ATOM 1716 CA LEU A 111 12.182 40.039 -13.420 1.00 51.02 C ATOM 1717 C LEU A 111 12.927 39.361 -14.566 1.00 31.05 C ATOM 1718 O LEU A 111 12.645 38.213 -14.912 1.00 13.33 O ATOM 1719 CB LEU A 111 11.260 41.129 -13.971 1.00 23.24 C ATOM 1720 CG LEU A 111 9.777 40.991 -13.626 1.00 30.41 C ATOM 1721 CD1 LEU A 111 8.967 42.083 -14.307 1.00 33.32 C ATOM 1722 CD2 LEU A 111 9.263 39.615 -14.025 1.00 14.13 C ATOM 0 H LEU A 111 12.957 41.593 -12.243 1.00 74.23 H new ATOM 0 HA LEU A 111 11.581 39.288 -12.907 1.00 51.02 H new ATOM 0 HB2 LEU A 111 11.610 42.093 -13.603 1.00 23.24 H new ATOM 0 HB3 LEU A 111 11.360 41.147 -15.056 1.00 23.24 H new ATOM 0 HG LEU A 111 9.662 41.101 -12.548 1.00 30.41 H new ATOM 0 HD11 LEU A 111 7.914 41.969 -14.050 1.00 33.32 H new ATOM 0 HD12 LEU A 111 9.318 43.059 -13.972 1.00 33.32 H new ATOM 0 HD13 LEU A 111 9.087 42.005 -15.388 1.00 33.32 H new ATOM 0 HD21 LEU A 111 8.206 39.534 -13.772 1.00 14.13 H new ATOM 0 HD22 LEU A 111 9.391 39.476 -15.098 1.00 14.13 H new ATOM 0 HD23 LEU A 111 9.824 38.848 -13.490 1.00 14.13 H new ATOM 1734 N THR A 112 13.882 40.078 -15.150 1.00 22.41 N ATOM 1735 CA THR A 112 14.669 39.545 -16.255 1.00 40.42 C ATOM 1736 C THR A 112 15.357 38.243 -15.863 1.00 74.54 C ATOM 1737 O THR A 112 15.155 37.208 -16.499 1.00 5.20 O ATOM 1738 CB THR A 112 15.735 40.554 -16.723 1.00 53.51 C ATOM 1739 OG1 THR A 112 15.171 41.869 -16.784 1.00 51.33 O ATOM 1740 CG2 THR A 112 16.283 40.168 -18.089 1.00 10.25 C ATOM 0 H THR A 112 14.129 41.029 -14.876 1.00 22.41 H new ATOM 0 HA THR A 112 13.975 39.354 -17.073 1.00 40.42 H new ATOM 0 HB THR A 112 16.554 40.543 -16.004 1.00 53.51 H new ATOM 0 HG1 THR A 112 15.855 42.505 -17.081 1.00 51.33 H new ATOM 0 HG21 THR A 112 17.034 40.895 -18.398 1.00 10.25 H new ATOM 0 HG22 THR A 112 16.737 39.179 -18.033 1.00 10.25 H new ATOM 0 HG23 THR A 112 15.471 40.153 -18.816 1.00 10.25 H new ATOM 1748 N ALA A 113 16.168 38.300 -14.813 1.00 22.14 N ATOM 1749 CA ALA A 113 16.883 37.123 -14.335 1.00 3.24 C ATOM 1750 C ALA A 113 15.924 35.968 -14.069 1.00 11.15 C ATOM 1751 O ALA A 113 16.117 34.861 -14.570 1.00 35.12 O ATOM 1752 CB ALA A 113 17.670 37.459 -13.076 1.00 61.33 C ATOM 0 H ALA A 113 16.347 39.149 -14.276 1.00 22.14 H new ATOM 0 HA ALA A 113 17.579 36.810 -15.113 1.00 3.24 H new ATOM 0 HB1 ALA A 113 18.199 36.571 -12.730 1.00 61.33 H new ATOM 0 HB2 ALA A 113 18.390 38.247 -13.296 1.00 61.33 H new ATOM 0 HB3 ALA A 113 16.985 37.799 -12.299 1.00 61.33 H new ATOM 1758 N ALA A 114 14.891 36.234 -13.276 1.00 75.12 N ATOM 1759 CA ALA A 114 13.901 35.217 -12.945 1.00 35.41 C ATOM 1760 C ALA A 114 13.245 34.658 -14.203 1.00 61.04 C ATOM 1761 O ALA A 114 12.902 33.477 -14.265 1.00 32.12 O ATOM 1762 CB ALA A 114 12.847 35.790 -12.009 1.00 50.51 C ATOM 0 H ALA A 114 14.718 37.145 -12.851 1.00 75.12 H new ATOM 0 HA ALA A 114 14.414 34.399 -12.440 1.00 35.41 H new ATOM 0 HB1 ALA A 114 12.114 35.019 -11.771 1.00 50.51 H new ATOM 0 HB2 ALA A 114 13.324 36.134 -11.091 1.00 50.51 H new ATOM 0 HB3 ALA A 114 12.347 36.628 -12.494 1.00 50.51 H new ATOM 1768 N HIS A 115 13.073 35.514 -15.206 1.00 3.24 N ATOM 1769 CA HIS A 115 12.458 35.105 -16.463 1.00 44.45 C ATOM 1770 C HIS A 115 13.179 33.896 -17.053 1.00 13.43 C ATOM 1771 O HIS A 115 12.558 32.877 -17.353 1.00 14.33 O ATOM 1772 CB HIS A 115 12.476 36.262 -17.464 1.00 21.33 C ATOM 1773 CG HIS A 115 11.450 36.132 -18.547 1.00 11.41 C ATOM 1774 ND1 HIS A 115 11.247 34.968 -19.257 1.00 24.33 N ATOM 1775 CD2 HIS A 115 10.565 37.030 -19.039 1.00 54.14 C ATOM 1776 CE1 HIS A 115 10.283 35.155 -20.140 1.00 62.01 C ATOM 1777 NE2 HIS A 115 9.852 36.398 -20.028 1.00 54.34 N ATOM 0 H HIS A 115 13.351 36.495 -15.172 1.00 3.24 H new ATOM 0 HA HIS A 115 11.424 34.826 -16.259 1.00 44.45 H new ATOM 0 HB2 HIS A 115 12.311 37.197 -16.929 1.00 21.33 H new ATOM 0 HB3 HIS A 115 13.465 36.324 -17.917 1.00 21.33 H new ATOM 0 HD2 HIS A 115 10.442 38.053 -18.714 1.00 54.14 H new ATOM 0 HE1 HIS A 115 9.911 34.417 -20.835 1.00 62.01 H new ATOM 0 HE2 HIS A 115 9.110 36.820 -20.586 1.00 54.34 H new ATOM 1785 N ALA A 116 14.492 34.018 -17.216 1.00 70.13 N ATOM 1786 CA ALA A 116 15.296 32.935 -17.768 1.00 64.13 C ATOM 1787 C ALA A 116 15.304 31.727 -16.838 1.00 35.13 C ATOM 1788 O ALA A 116 15.510 30.594 -17.275 1.00 43.34 O ATOM 1789 CB ALA A 116 16.718 33.412 -18.027 1.00 53.43 C ATOM 0 H ALA A 116 15.021 34.856 -16.974 1.00 70.13 H new ATOM 0 HA ALA A 116 14.848 32.630 -18.714 1.00 64.13 H new ATOM 0 HB1 ALA A 116 17.307 32.593 -18.439 1.00 53.43 H new ATOM 0 HB2 ALA A 116 16.701 34.239 -18.736 1.00 53.43 H new ATOM 0 HB3 ALA A 116 17.166 33.746 -17.091 1.00 53.43 H new ATOM 1795 N LEU A 117 15.077 31.975 -15.552 1.00 63.04 N ATOM 1796 CA LEU A 117 15.058 30.907 -14.559 1.00 22.11 C ATOM 1797 C LEU A 117 13.916 29.933 -14.829 1.00 21.44 C ATOM 1798 O LEU A 117 14.143 28.749 -15.078 1.00 34.03 O ATOM 1799 CB LEU A 117 14.922 31.494 -13.153 1.00 32.21 C ATOM 1800 CG LEU A 117 16.058 31.176 -12.180 1.00 12.32 C ATOM 1801 CD1 LEU A 117 16.036 29.705 -11.795 1.00 52.13 C ATOM 1802 CD2 LEU A 117 17.401 31.550 -12.788 1.00 45.34 C ATOM 0 H LEU A 117 14.904 32.906 -15.173 1.00 63.04 H new ATOM 0 HA LEU A 117 15.999 30.362 -14.629 1.00 22.11 H new ATOM 0 HB2 LEU A 117 14.837 32.577 -13.240 1.00 32.21 H new ATOM 0 HB3 LEU A 117 13.988 31.135 -12.720 1.00 32.21 H new ATOM 0 HG LEU A 117 15.913 31.768 -11.277 1.00 12.32 H new ATOM 0 HD11 LEU A 117 16.852 29.498 -11.102 1.00 52.13 H new ATOM 0 HD12 LEU A 117 15.085 29.468 -11.317 1.00 52.13 H new ATOM 0 HD13 LEU A 117 16.155 29.093 -12.689 1.00 52.13 H new ATOM 0 HD21 LEU A 117 18.198 31.317 -12.082 1.00 45.34 H new ATOM 0 HD22 LEU A 117 17.554 30.985 -13.707 1.00 45.34 H new ATOM 0 HD23 LEU A 117 17.415 32.617 -13.011 1.00 45.34 H new ATOM 1814 N ALA A 118 12.689 30.440 -14.779 1.00 74.41 N ATOM 1815 CA ALA A 118 11.511 29.615 -15.022 1.00 43.33 C ATOM 1816 C ALA A 118 11.641 28.846 -16.332 1.00 60.33 C ATOM 1817 O ALA A 118 11.361 27.648 -16.391 1.00 3.21 O ATOM 1818 CB ALA A 118 10.257 30.477 -15.036 1.00 44.02 C ATOM 0 H ALA A 118 12.484 31.418 -14.573 1.00 74.41 H new ATOM 0 HA ALA A 118 11.431 28.890 -14.212 1.00 43.33 H new ATOM 0 HB1 ALA A 118 9.385 29.848 -15.218 1.00 44.02 H new ATOM 0 HB2 ALA A 118 10.149 30.977 -14.074 1.00 44.02 H new ATOM 0 HB3 ALA A 118 10.338 31.224 -15.826 1.00 44.02 H new ATOM 1824 N VAL A 119 12.066 29.541 -17.382 1.00 45.13 N ATOM 1825 CA VAL A 119 12.234 28.923 -18.692 1.00 74.40 C ATOM 1826 C VAL A 119 13.112 27.680 -18.605 1.00 24.11 C ATOM 1827 O VAL A 119 12.879 26.692 -19.301 1.00 71.22 O ATOM 1828 CB VAL A 119 12.853 29.906 -19.702 1.00 44.42 C ATOM 1829 CG1 VAL A 119 13.140 29.207 -21.022 1.00 61.31 C ATOM 1830 CG2 VAL A 119 11.937 31.102 -19.911 1.00 50.44 C ATOM 0 H VAL A 119 12.300 30.533 -17.351 1.00 45.13 H new ATOM 0 HA VAL A 119 11.240 28.639 -19.037 1.00 74.40 H new ATOM 0 HB VAL A 119 13.798 30.267 -19.297 1.00 44.42 H new ATOM 0 HG11 VAL A 119 13.577 29.918 -21.723 1.00 61.31 H new ATOM 0 HG12 VAL A 119 13.838 28.386 -20.855 1.00 61.31 H new ATOM 0 HG13 VAL A 119 12.211 28.815 -21.435 1.00 61.31 H new ATOM 0 HG21 VAL A 119 12.390 31.787 -20.628 1.00 50.44 H new ATOM 0 HG22 VAL A 119 10.975 30.761 -20.293 1.00 50.44 H new ATOM 0 HG23 VAL A 119 11.788 31.617 -18.962 1.00 50.44 H new ATOM 1840 N ASP A 120 14.123 27.736 -17.745 1.00 44.30 N ATOM 1841 CA ASP A 120 15.037 26.614 -17.565 1.00 4.31 C ATOM 1842 C ASP A 120 14.297 25.390 -17.037 1.00 31.41 C ATOM 1843 O ASP A 120 14.275 24.341 -17.680 1.00 33.42 O ATOM 1844 CB ASP A 120 16.165 26.997 -16.605 1.00 63.22 C ATOM 1845 CG ASP A 120 17.498 26.400 -17.012 1.00 4.14 C ATOM 1846 OD1 ASP A 120 17.500 25.299 -17.600 1.00 24.31 O ATOM 1847 OD2 ASP A 120 18.540 27.034 -16.741 1.00 10.04 O ATOM 0 H ASP A 120 14.330 28.547 -17.161 1.00 44.30 H new ATOM 0 HA ASP A 120 15.465 26.366 -18.536 1.00 4.31 H new ATOM 0 HB2 ASP A 120 16.253 28.083 -16.567 1.00 63.22 H new ATOM 0 HB3 ASP A 120 15.912 26.662 -15.599 1.00 63.22 H new ATOM 1852 N ALA A 121 13.693 25.531 -15.862 1.00 32.24 N ATOM 1853 CA ALA A 121 12.951 24.437 -15.248 1.00 32.33 C ATOM 1854 C ALA A 121 11.920 23.862 -16.214 1.00 25.12 C ATOM 1855 O ALA A 121 11.575 22.683 -16.140 1.00 72.52 O ATOM 1856 CB ALA A 121 12.273 24.910 -13.970 1.00 70.13 C ATOM 0 H ALA A 121 13.703 26.392 -15.316 1.00 32.24 H new ATOM 0 HA ALA A 121 13.659 23.646 -15.000 1.00 32.33 H new ATOM 0 HB1 ALA A 121 11.723 24.082 -13.522 1.00 70.13 H new ATOM 0 HB2 ALA A 121 13.027 25.266 -13.268 1.00 70.13 H new ATOM 0 HB3 ALA A 121 11.583 25.721 -14.203 1.00 70.13 H new ATOM 1862 N LYS A 122 11.432 24.703 -17.119 1.00 61.45 N ATOM 1863 CA LYS A 122 10.441 24.279 -18.102 1.00 21.14 C ATOM 1864 C LYS A 122 11.097 23.490 -19.231 1.00 13.14 C ATOM 1865 O LYS A 122 10.739 22.341 -19.486 1.00 41.24 O ATOM 1866 CB LYS A 122 9.708 25.494 -18.673 1.00 54.33 C ATOM 1867 CG LYS A 122 8.304 25.183 -19.163 1.00 61.43 C ATOM 1868 CD LYS A 122 8.278 24.938 -20.663 1.00 24.12 C ATOM 1869 CE LYS A 122 7.472 23.696 -21.011 1.00 52.52 C ATOM 1870 NZ LYS A 122 6.066 23.795 -20.529 1.00 62.12 N ATOM 0 H LYS A 122 11.706 25.683 -17.193 1.00 61.45 H new ATOM 0 HA LYS A 122 9.722 23.631 -17.601 1.00 21.14 H new ATOM 0 HB2 LYS A 122 9.653 26.268 -17.907 1.00 54.33 H new ATOM 0 HB3 LYS A 122 10.290 25.904 -19.499 1.00 54.33 H new ATOM 0 HG2 LYS A 122 7.923 24.304 -18.643 1.00 61.43 H new ATOM 0 HG3 LYS A 122 7.640 26.012 -18.917 1.00 61.43 H new ATOM 0 HD2 LYS A 122 7.849 25.804 -21.167 1.00 24.12 H new ATOM 0 HD3 LYS A 122 9.297 24.827 -21.032 1.00 24.12 H new ATOM 0 HE2 LYS A 122 7.476 23.551 -22.091 1.00 52.52 H new ATOM 0 HE3 LYS A 122 7.946 22.819 -20.570 1.00 52.52 H new ATOM 0 HZ1 LYS A 122 5.491 23.055 -20.980 1.00 62.12 H new ATOM 0 HZ2 LYS A 122 6.043 23.670 -19.497 1.00 62.12 H new ATOM 0 HZ3 LYS A 122 5.680 24.730 -20.773 1.00 62.12 H new ATOM 1884 N ASN A 123 12.059 24.115 -19.902 1.00 30.34 N ATOM 1885 CA ASN A 123 12.765 23.470 -21.003 1.00 1.12 C ATOM 1886 C ASN A 123 13.489 22.215 -20.524 1.00 52.05 C ATOM 1887 O ASN A 123 13.831 21.340 -21.321 1.00 51.34 O ATOM 1888 CB ASN A 123 13.766 24.441 -21.632 1.00 62.02 C ATOM 1889 CG ASN A 123 14.223 23.991 -23.006 1.00 73.35 C ATOM 1890 OD1 ASN A 123 13.421 23.531 -23.819 1.00 74.43 O ATOM 1891 ND2 ASN A 123 15.517 24.121 -23.272 1.00 42.30 N ATOM 0 H ASN A 123 12.367 25.067 -19.703 1.00 30.34 H new ATOM 0 HA ASN A 123 12.030 23.180 -21.753 1.00 1.12 H new ATOM 0 HB2 ASN A 123 13.311 25.428 -21.709 1.00 62.02 H new ATOM 0 HB3 ASN A 123 14.633 24.539 -20.978 1.00 62.02 H new ATOM 0 HD21 ASN A 123 15.882 23.834 -24.180 1.00 42.30 H new ATOM 0 HD22 ASN A 123 16.146 24.507 -22.568 1.00 42.30 H new ATOM 1898 N LEU A 124 13.719 22.133 -19.219 1.00 35.14 N ATOM 1899 CA LEU A 124 14.401 20.984 -18.633 1.00 1.54 C ATOM 1900 C LEU A 124 13.757 19.678 -19.087 1.00 4.41 C ATOM 1901 O LEU A 124 14.396 18.854 -19.742 1.00 41.05 O ATOM 1902 CB LEU A 124 14.375 21.075 -17.106 1.00 11.21 C ATOM 1903 CG LEU A 124 15.603 21.707 -16.450 1.00 23.21 C ATOM 1904 CD1 LEU A 124 15.432 21.764 -14.940 1.00 22.42 C ATOM 1905 CD2 LEU A 124 16.861 20.933 -16.817 1.00 42.22 C ATOM 0 H LEU A 124 13.443 22.848 -18.546 1.00 35.14 H new ATOM 0 HA LEU A 124 15.436 20.995 -18.974 1.00 1.54 H new ATOM 0 HB2 LEU A 124 13.495 21.647 -16.811 1.00 11.21 H new ATOM 0 HB3 LEU A 124 14.250 20.069 -16.704 1.00 11.21 H new ATOM 0 HG LEU A 124 15.706 22.726 -16.822 1.00 23.21 H new ATOM 0 HD11 LEU A 124 16.316 22.217 -14.491 1.00 22.42 H new ATOM 0 HD12 LEU A 124 14.554 22.362 -14.696 1.00 22.42 H new ATOM 0 HD13 LEU A 124 15.304 20.754 -14.550 1.00 22.42 H new ATOM 0 HD21 LEU A 124 17.725 21.397 -16.341 1.00 42.22 H new ATOM 0 HD22 LEU A 124 16.767 19.903 -16.474 1.00 42.22 H new ATOM 0 HD23 LEU A 124 16.993 20.944 -17.899 1.00 42.22 H new ATOM 1917 N LEU A 125 12.489 19.497 -18.736 1.00 60.23 N ATOM 1918 CA LEU A 125 11.757 18.292 -19.110 1.00 31.51 C ATOM 1919 C LEU A 125 11.443 18.286 -20.603 1.00 24.44 C ATOM 1920 O LEU A 125 11.409 17.230 -21.236 1.00 1.24 O ATOM 1921 CB LEU A 125 10.461 18.188 -18.304 1.00 54.24 C ATOM 1922 CG LEU A 125 10.053 16.781 -17.867 1.00 75.01 C ATOM 1923 CD1 LEU A 125 9.782 16.744 -16.371 1.00 51.30 C ATOM 1924 CD2 LEU A 125 8.830 16.315 -18.644 1.00 33.23 C ATOM 0 H LEU A 125 11.946 20.169 -18.193 1.00 60.23 H new ATOM 0 HA LEU A 125 12.387 17.431 -18.887 1.00 31.51 H new ATOM 0 HB2 LEU A 125 10.560 18.809 -17.414 1.00 54.24 H new ATOM 0 HB3 LEU A 125 9.652 18.611 -18.899 1.00 54.24 H new ATOM 0 HG LEU A 125 10.877 16.101 -18.083 1.00 75.01 H new ATOM 0 HD11 LEU A 125 9.493 15.735 -16.078 1.00 51.30 H new ATOM 0 HD12 LEU A 125 10.683 17.034 -15.831 1.00 51.30 H new ATOM 0 HD13 LEU A 125 8.975 17.437 -16.130 1.00 51.30 H new ATOM 0 HD21 LEU A 125 8.554 15.312 -18.320 1.00 33.23 H new ATOM 0 HD22 LEU A 125 8.000 16.997 -18.460 1.00 33.23 H new ATOM 0 HD23 LEU A 125 9.059 16.302 -19.710 1.00 33.23 H new ATOM 1936 N ASP A 126 11.217 19.471 -21.159 1.00 23.51 N ATOM 1937 CA ASP A 126 10.910 19.603 -22.578 1.00 71.43 C ATOM 1938 C ASP A 126 12.022 19.004 -23.433 1.00 62.53 C ATOM 1939 O ASP A 126 11.760 18.290 -24.401 1.00 74.33 O ATOM 1940 CB ASP A 126 10.706 21.074 -22.943 1.00 35.10 C ATOM 1941 CG ASP A 126 9.819 21.251 -24.160 1.00 61.01 C ATOM 1942 OD1 ASP A 126 10.335 21.137 -25.292 1.00 31.41 O ATOM 1943 OD2 ASP A 126 8.609 21.503 -23.981 1.00 5.12 O ATOM 0 H ASP A 126 11.241 20.354 -20.649 1.00 23.51 H new ATOM 0 HA ASP A 126 9.988 19.056 -22.777 1.00 71.43 H new ATOM 0 HB2 ASP A 126 10.264 21.598 -22.095 1.00 35.10 H new ATOM 0 HB3 ASP A 126 11.675 21.536 -23.133 1.00 35.10 H new ATOM 1948 N VAL A 127 13.266 19.300 -23.070 1.00 20.24 N ATOM 1949 CA VAL A 127 14.419 18.791 -23.803 1.00 32.30 C ATOM 1950 C VAL A 127 14.529 17.276 -23.671 1.00 74.13 C ATOM 1951 O VAL A 127 14.427 16.548 -24.659 1.00 71.03 O ATOM 1952 CB VAL A 127 15.728 19.434 -23.308 1.00 53.31 C ATOM 1953 CG1 VAL A 127 16.925 18.829 -24.025 1.00 51.11 C ATOM 1954 CG2 VAL A 127 15.686 20.942 -23.502 1.00 50.52 C ATOM 0 H VAL A 127 13.501 19.890 -22.272 1.00 20.24 H new ATOM 0 HA VAL A 127 14.268 19.052 -24.850 1.00 32.30 H new ATOM 0 HB VAL A 127 15.833 19.230 -22.242 1.00 53.31 H new ATOM 0 HG11 VAL A 127 17.841 19.296 -23.662 1.00 51.11 H new ATOM 0 HG12 VAL A 127 16.962 17.757 -23.830 1.00 51.11 H new ATOM 0 HG13 VAL A 127 16.831 19.000 -25.097 1.00 51.11 H new ATOM 0 HG21 VAL A 127 16.619 21.381 -23.147 1.00 50.52 H new ATOM 0 HG22 VAL A 127 15.558 21.169 -24.560 1.00 50.52 H new ATOM 0 HG23 VAL A 127 14.851 21.358 -22.938 1.00 50.52 H new ATOM 1964 N ILE A 128 14.736 16.808 -22.445 1.00 62.43 N ATOM 1965 CA ILE A 128 14.858 15.379 -22.184 1.00 61.23 C ATOM 1966 C ILE A 128 13.680 14.610 -22.773 1.00 62.12 C ATOM 1967 O ILE A 128 13.810 13.442 -23.142 1.00 14.35 O ATOM 1968 CB ILE A 128 14.943 15.088 -20.674 1.00 65.44 C ATOM 1969 CG1 ILE A 128 13.590 15.339 -20.007 1.00 73.41 C ATOM 1970 CG2 ILE A 128 16.024 15.943 -20.030 1.00 63.23 C ATOM 1971 CD1 ILE A 128 13.622 15.193 -18.502 1.00 33.32 C ATOM 0 H ILE A 128 14.823 17.397 -21.617 1.00 62.43 H new ATOM 0 HA ILE A 128 15.780 15.048 -22.662 1.00 61.23 H new ATOM 0 HB ILE A 128 15.206 14.039 -20.535 1.00 65.44 H new ATOM 0 HG12 ILE A 128 13.250 16.344 -20.259 1.00 73.41 H new ATOM 0 HG13 ILE A 128 12.858 14.643 -20.416 1.00 73.41 H new ATOM 0 HG21 ILE A 128 16.072 15.726 -18.963 1.00 63.23 H new ATOM 0 HG22 ILE A 128 16.987 15.719 -20.489 1.00 63.23 H new ATOM 0 HG23 ILE A 128 15.789 16.997 -20.176 1.00 63.23 H new ATOM 0 HD11 ILE A 128 12.629 15.385 -18.097 1.00 33.32 H new ATOM 0 HD12 ILE A 128 13.931 14.181 -18.241 1.00 33.32 H new ATOM 0 HD13 ILE A 128 14.330 15.908 -18.082 1.00 33.32 H new ATOM 1983 N ASP A 129 12.532 15.273 -22.860 1.00 64.04 N ATOM 1984 CA ASP A 129 11.331 14.653 -23.408 1.00 1.34 C ATOM 1985 C ASP A 129 11.588 14.116 -24.812 1.00 24.42 C ATOM 1986 O ASP A 129 11.142 13.023 -25.159 1.00 72.31 O ATOM 1987 CB ASP A 129 10.180 15.660 -23.436 1.00 70.04 C ATOM 1988 CG ASP A 129 9.156 15.399 -22.350 1.00 14.43 C ATOM 1989 OD1 ASP A 129 9.526 14.805 -21.316 1.00 71.42 O ATOM 1990 OD2 ASP A 129 7.983 15.789 -22.533 1.00 42.50 O ATOM 0 H ASP A 129 12.408 16.239 -22.558 1.00 64.04 H new ATOM 0 HA ASP A 129 11.057 13.817 -22.764 1.00 1.34 H new ATOM 0 HB2 ASP A 129 10.580 16.667 -23.320 1.00 70.04 H new ATOM 0 HB3 ASP A 129 9.691 15.621 -24.409 1.00 70.04 H new ATOM 1995 N GLN A 130 12.310 14.892 -25.614 1.00 72.21 N ATOM 1996 CA GLN A 130 12.624 14.494 -26.981 1.00 64.41 C ATOM 1997 C GLN A 130 13.505 13.249 -26.996 1.00 65.24 C ATOM 1998 O GLN A 130 13.566 12.532 -27.995 1.00 22.24 O ATOM 1999 CB GLN A 130 13.323 15.637 -27.720 1.00 21.54 C ATOM 2000 CG GLN A 130 12.372 16.719 -28.205 1.00 30.50 C ATOM 2001 CD GLN A 130 12.536 17.021 -29.681 1.00 64.34 C ATOM 2002 OE1 GLN A 130 12.766 16.120 -30.489 1.00 40.34 O ATOM 2003 NE2 GLN A 130 12.419 18.293 -30.042 1.00 43.31 N ATOM 0 H GLN A 130 12.688 15.799 -25.341 1.00 72.21 H new ATOM 0 HA GLN A 130 11.688 14.261 -27.489 1.00 64.41 H new ATOM 0 HB2 GLN A 130 14.064 16.086 -27.059 1.00 21.54 H new ATOM 0 HB3 GLN A 130 13.863 15.230 -28.575 1.00 21.54 H new ATOM 0 HG2 GLN A 130 11.345 16.407 -28.014 1.00 30.50 H new ATOM 0 HG3 GLN A 130 12.541 17.630 -27.631 1.00 30.50 H new ATOM 0 HE21 GLN A 130 12.228 19.007 -29.339 1.00 43.31 H new ATOM 0 HE22 GLN A 130 12.520 18.556 -31.022 1.00 43.31 H new ATOM 2012 N ALA A 131 14.187 12.999 -25.883 1.00 61.33 N ATOM 2013 CA ALA A 131 15.064 11.840 -25.768 1.00 74.34 C ATOM 2014 C ALA A 131 14.257 10.550 -25.661 1.00 21.03 C ATOM 2015 O ALA A 131 14.386 9.655 -26.496 1.00 31.31 O ATOM 2016 CB ALA A 131 15.984 11.991 -24.566 1.00 72.02 C ATOM 0 H ALA A 131 14.149 13.584 -25.048 1.00 61.33 H new ATOM 0 HA ALA A 131 15.672 11.784 -26.671 1.00 74.34 H new ATOM 0 HB1 ALA A 131 16.633 11.118 -24.493 1.00 72.02 H new ATOM 0 HB2 ALA A 131 16.593 12.887 -24.684 1.00 72.02 H new ATOM 0 HB3 ALA A 131 15.386 12.076 -23.659 1.00 72.02 H new ATOM 2022 N ARG A 132 13.426 10.462 -24.627 1.00 63.42 N ATOM 2023 CA ARG A 132 12.600 9.280 -24.410 1.00 4.13 C ATOM 2024 C ARG A 132 11.794 8.943 -25.660 1.00 72.13 C ATOM 2025 O ARG A 132 11.675 7.777 -26.040 1.00 12.12 O ATOM 2026 CB ARG A 132 11.657 9.502 -23.226 1.00 22.21 C ATOM 2027 CG ARG A 132 10.964 10.855 -23.244 1.00 63.43 C ATOM 2028 CD ARG A 132 9.903 10.952 -22.159 1.00 62.24 C ATOM 2029 NE ARG A 132 8.562 10.701 -22.681 1.00 44.02 N ATOM 2030 CZ ARG A 132 7.916 11.542 -23.482 1.00 22.55 C ATOM 2031 NH1 ARG A 132 8.485 12.681 -23.850 1.00 62.12 N ATOM 2032 NH2 ARG A 132 6.698 11.243 -23.915 1.00 62.31 N ATOM 0 H ARG A 132 13.307 11.194 -23.927 1.00 63.42 H new ATOM 0 HA ARG A 132 13.260 8.442 -24.188 1.00 4.13 H new ATOM 0 HB2 ARG A 132 10.901 8.716 -23.222 1.00 22.21 H new ATOM 0 HB3 ARG A 132 12.222 9.405 -22.299 1.00 22.21 H new ATOM 0 HG2 ARG A 132 11.702 11.645 -23.104 1.00 63.43 H new ATOM 0 HG3 ARG A 132 10.505 11.017 -24.219 1.00 63.43 H new ATOM 0 HD2 ARG A 132 10.125 10.234 -21.370 1.00 62.24 H new ATOM 0 HD3 ARG A 132 9.936 11.943 -21.707 1.00 62.24 H new ATOM 0 HE ARG A 132 8.096 9.833 -22.416 1.00 44.02 H new ATOM 0 HH11 ARG A 132 9.421 12.914 -23.518 1.00 62.12 H new ATOM 0 HH12 ARG A 132 7.987 13.325 -24.465 1.00 62.12 H new ATOM 0 HH21 ARG A 132 6.257 10.367 -23.633 1.00 62.31 H new ATOM 0 HH22 ARG A 132 6.202 11.889 -24.530 1.00 62.31 H new ATOM 2046 N LEU A 133 11.241 9.970 -26.296 1.00 62.02 N ATOM 2047 CA LEU A 133 10.445 9.783 -27.504 1.00 40.33 C ATOM 2048 C LEU A 133 11.297 9.216 -28.636 1.00 13.44 C ATOM 2049 O LEU A 133 10.875 8.306 -29.349 1.00 21.54 O ATOM 2050 CB LEU A 133 9.820 11.111 -27.937 1.00 71.40 C ATOM 2051 CG LEU A 133 8.322 11.079 -28.244 1.00 64.22 C ATOM 2052 CD1 LEU A 133 8.039 10.165 -29.427 1.00 4.52 C ATOM 2053 CD2 LEU A 133 7.536 10.629 -27.021 1.00 5.50 C ATOM 0 H LEU A 133 11.329 10.941 -25.995 1.00 62.02 H new ATOM 0 HA LEU A 133 9.651 9.070 -27.280 1.00 40.33 H new ATOM 0 HB2 LEU A 133 9.994 11.845 -27.150 1.00 71.40 H new ATOM 0 HB3 LEU A 133 10.345 11.465 -28.824 1.00 71.40 H new ATOM 0 HG LEU A 133 8.003 12.088 -28.505 1.00 64.22 H new ATOM 0 HD11 LEU A 133 6.968 10.155 -29.631 1.00 4.52 H new ATOM 0 HD12 LEU A 133 8.572 10.530 -30.305 1.00 4.52 H new ATOM 0 HD13 LEU A 133 8.374 9.154 -29.194 1.00 4.52 H new ATOM 0 HD21 LEU A 133 6.472 10.612 -27.258 1.00 5.50 H new ATOM 0 HD22 LEU A 133 7.858 9.630 -26.729 1.00 5.50 H new ATOM 0 HD23 LEU A 133 7.714 11.322 -26.199 1.00 5.50 H new ATOM 2065 N LYS A 134 12.499 9.760 -28.794 1.00 31.15 N ATOM 2066 CA LYS A 134 13.413 9.307 -29.835 1.00 51.04 C ATOM 2067 C LYS A 134 13.685 7.812 -29.708 1.00 71.52 C ATOM 2068 O LYS A 134 13.979 7.139 -30.696 1.00 20.33 O ATOM 2069 CB LYS A 134 14.729 10.084 -29.761 1.00 23.24 C ATOM 2070 CG LYS A 134 15.760 9.634 -30.782 1.00 11.13 C ATOM 2071 CD LYS A 134 16.814 10.702 -31.018 1.00 3.44 C ATOM 2072 CE LYS A 134 18.054 10.458 -30.171 1.00 43.13 C ATOM 2073 NZ LYS A 134 19.101 9.713 -30.924 1.00 23.23 N ATOM 0 H LYS A 134 12.863 10.516 -28.214 1.00 31.15 H new ATOM 0 HA LYS A 134 12.943 9.492 -30.801 1.00 51.04 H new ATOM 0 HB2 LYS A 134 14.524 11.144 -29.908 1.00 23.24 H new ATOM 0 HB3 LYS A 134 15.149 9.976 -28.761 1.00 23.24 H new ATOM 0 HG2 LYS A 134 16.240 8.718 -30.437 1.00 11.13 H new ATOM 0 HG3 LYS A 134 15.263 9.398 -31.723 1.00 11.13 H new ATOM 0 HD2 LYS A 134 17.089 10.716 -32.073 1.00 3.44 H new ATOM 0 HD3 LYS A 134 16.399 11.682 -30.784 1.00 3.44 H new ATOM 0 HE2 LYS A 134 18.458 11.413 -29.835 1.00 43.13 H new ATOM 0 HE3 LYS A 134 17.779 9.896 -29.278 1.00 43.13 H new ATOM 0 HZ1 LYS A 134 19.930 9.566 -30.313 1.00 23.23 H new ATOM 0 HZ2 LYS A 134 18.724 8.791 -31.223 1.00 23.23 H new ATOM 0 HZ3 LYS A 134 19.382 10.261 -31.762 1.00 23.23 H new ATOM 2087 N MET A 135 13.583 7.298 -28.487 1.00 3.04 N ATOM 2088 CA MET A 135 13.816 5.881 -28.232 1.00 10.11 C ATOM 2089 C MET A 135 12.613 5.047 -28.660 1.00 52.04 C ATOM 2090 O MET A 135 12.765 4.000 -29.291 1.00 53.41 O ATOM 2091 CB MET A 135 14.110 5.649 -26.749 1.00 12.25 C ATOM 2092 CG MET A 135 14.304 4.185 -26.389 1.00 42.02 C ATOM 2093 SD MET A 135 13.253 3.660 -25.022 1.00 33.12 S ATOM 2094 CE MET A 135 14.259 4.136 -23.619 1.00 22.33 C ATOM 0 H MET A 135 13.341 7.841 -27.658 1.00 3.04 H new ATOM 0 HA MET A 135 14.680 5.569 -28.819 1.00 10.11 H new ATOM 0 HB2 MET A 135 15.007 6.204 -26.474 1.00 12.25 H new ATOM 0 HB3 MET A 135 13.290 6.055 -26.157 1.00 12.25 H new ATOM 0 HG2 MET A 135 14.091 3.569 -27.263 1.00 42.02 H new ATOM 0 HG3 MET A 135 15.348 4.015 -26.125 1.00 42.02 H new ATOM 0 HE1 MET A 135 13.742 3.875 -22.695 1.00 22.33 H new ATOM 0 HE2 MET A 135 15.214 3.611 -23.661 1.00 22.33 H new ATOM 0 HE3 MET A 135 14.435 5.211 -23.645 1.00 22.33 H new ATOM 2104 N ILE A 136 11.419 5.517 -28.314 1.00 23.21 N ATOM 2105 CA ILE A 136 10.191 4.814 -28.664 1.00 22.02 C ATOM 2106 C ILE A 136 10.147 4.493 -30.154 1.00 10.11 C ATOM 2107 O ILE A 136 10.025 3.333 -30.546 1.00 63.32 O ATOM 2108 CB ILE A 136 8.945 5.638 -28.290 1.00 51.14 C ATOM 2109 CG1 ILE A 136 8.940 5.945 -26.791 1.00 50.25 C ATOM 2110 CG2 ILE A 136 7.679 4.894 -28.688 1.00 60.13 C ATOM 2111 CD1 ILE A 136 8.849 4.711 -25.922 1.00 63.41 C ATOM 0 H ILE A 136 11.276 6.381 -27.792 1.00 23.21 H new ATOM 0 HA ILE A 136 10.186 3.884 -28.095 1.00 22.02 H new ATOM 0 HB ILE A 136 8.975 6.582 -28.835 1.00 51.14 H new ATOM 0 HG12 ILE A 136 9.848 6.492 -26.537 1.00 50.25 H new ATOM 0 HG13 ILE A 136 8.099 6.601 -26.566 1.00 50.25 H new ATOM 0 HG21 ILE A 136 6.807 5.489 -28.417 1.00 60.13 H new ATOM 0 HG22 ILE A 136 7.681 4.722 -29.764 1.00 60.13 H new ATOM 0 HG23 ILE A 136 7.641 3.937 -28.168 1.00 60.13 H new ATOM 0 HD11 ILE A 136 8.850 5.004 -24.872 1.00 63.41 H new ATOM 0 HD12 ILE A 136 7.927 4.174 -26.148 1.00 63.41 H new ATOM 0 HD13 ILE A 136 9.703 4.064 -26.119 1.00 63.41 H new ATOM 2123 N SER A 137 10.248 5.529 -30.980 1.00 43.51 N ATOM 2124 CA SER A 137 10.218 5.359 -32.428 1.00 20.41 C ATOM 2125 C SER A 137 11.559 4.843 -32.942 1.00 54.03 C ATOM 2126 O SER A 137 12.234 5.512 -33.724 1.00 12.33 O ATOM 2127 CB SER A 137 9.872 6.683 -33.112 1.00 34.42 C ATOM 2128 OG SER A 137 8.772 7.312 -32.477 1.00 3.32 O ATOM 0 H SER A 137 10.351 6.496 -30.671 1.00 43.51 H new ATOM 0 HA SER A 137 9.449 4.624 -32.667 1.00 20.41 H new ATOM 0 HB2 SER A 137 10.737 7.345 -33.088 1.00 34.42 H new ATOM 0 HB3 SER A 137 9.637 6.504 -34.161 1.00 34.42 H new ATOM 0 HG SER A 137 8.571 8.157 -32.931 1.00 3.32 H new ATOM 2228 N ALA A 170 24.726 22.497 -0.024 1.00 13.12 N ATOM 2229 CA ALA A 170 23.684 23.142 -0.814 1.00 20.23 C ATOM 2230 C ALA A 170 22.350 23.131 -0.076 1.00 34.03 C ATOM 2231 O ALA A 170 21.719 24.173 0.104 1.00 12.23 O ATOM 2232 CB ALA A 170 23.547 22.457 -2.166 1.00 2.53 C ATOM 0 HA ALA A 170 23.973 24.181 -0.973 1.00 20.23 H new ATOM 0 HB1 ALA A 170 22.766 22.949 -2.745 1.00 2.53 H new ATOM 0 HB2 ALA A 170 24.493 22.521 -2.704 1.00 2.53 H new ATOM 0 HB3 ALA A 170 23.284 21.409 -2.018 1.00 2.53 H new ATOM 2238 N THR A 171 21.923 21.946 0.350 1.00 63.34 N ATOM 2239 CA THR A 171 20.663 21.799 1.066 1.00 32.03 C ATOM 2240 C THR A 171 20.598 22.740 2.264 1.00 65.11 C ATOM 2241 O THR A 171 19.523 23.203 2.644 1.00 2.41 O ATOM 2242 CB THR A 171 20.459 20.352 1.553 1.00 35.02 C ATOM 2243 OG1 THR A 171 21.408 19.485 0.924 1.00 63.41 O ATOM 2244 CG2 THR A 171 19.047 19.873 1.249 1.00 21.20 C ATOM 0 H THR A 171 22.433 21.074 0.211 1.00 63.34 H new ATOM 0 HA THR A 171 19.869 22.054 0.364 1.00 32.03 H new ATOM 0 HB THR A 171 20.608 20.331 2.632 1.00 35.02 H new ATOM 0 HG1 THR A 171 21.273 18.567 1.240 1.00 63.41 H new ATOM 0 HG21 THR A 171 18.926 18.849 1.602 1.00 21.20 H new ATOM 0 HG22 THR A 171 18.328 20.518 1.754 1.00 21.20 H new ATOM 0 HG23 THR A 171 18.874 19.909 0.173 1.00 21.20 H new ATOM 2252 N ARG A 172 21.756 23.019 2.854 1.00 21.12 N ATOM 2253 CA ARG A 172 21.831 23.905 4.010 1.00 75.14 C ATOM 2254 C ARG A 172 21.367 25.313 3.646 1.00 23.40 C ATOM 2255 O ARG A 172 20.525 25.894 4.329 1.00 54.15 O ATOM 2256 CB ARG A 172 23.260 23.951 4.552 1.00 1.13 C ATOM 2257 CG ARG A 172 23.380 23.484 5.994 1.00 54.51 C ATOM 2258 CD ARG A 172 23.277 24.649 6.967 1.00 75.33 C ATOM 2259 NE ARG A 172 24.190 24.500 8.097 1.00 52.33 N ATOM 2260 CZ ARG A 172 25.504 24.675 8.008 1.00 74.55 C ATOM 2261 NH1 ARG A 172 26.055 25.002 6.847 1.00 21.11 N ATOM 2262 NH2 ARG A 172 26.269 24.522 9.081 1.00 73.31 N ATOM 0 H ARG A 172 22.655 22.644 2.551 1.00 21.12 H new ATOM 0 HA ARG A 172 21.170 23.511 4.782 1.00 75.14 H new ATOM 0 HB2 ARG A 172 23.898 23.330 3.924 1.00 1.13 H new ATOM 0 HB3 ARG A 172 23.635 24.972 4.477 1.00 1.13 H new ATOM 0 HG2 ARG A 172 22.596 22.758 6.209 1.00 54.51 H new ATOM 0 HG3 ARG A 172 24.333 22.974 6.134 1.00 54.51 H new ATOM 0 HD2 ARG A 172 23.497 25.579 6.443 1.00 75.33 H new ATOM 0 HD3 ARG A 172 22.254 24.725 7.335 1.00 75.33 H new ATOM 0 HE ARG A 172 23.797 24.248 9.004 1.00 52.33 H new ATOM 0 HH11 ARG A 172 25.470 25.120 6.020 1.00 21.11 H new ATOM 0 HH12 ARG A 172 27.064 25.136 6.781 1.00 21.11 H new ATOM 0 HH21 ARG A 172 25.848 24.270 9.975 1.00 73.31 H new ATOM 0 HH22 ARG A 172 27.278 24.657 9.012 1.00 73.31 H new ATOM 2276 N GLU A 173 21.925 25.853 2.567 1.00 12.41 N ATOM 2277 CA GLU A 173 21.569 27.193 2.115 1.00 42.24 C ATOM 2278 C GLU A 173 20.065 27.310 1.889 1.00 35.11 C ATOM 2279 O GLU A 173 19.448 28.315 2.244 1.00 0.35 O ATOM 2280 CB GLU A 173 22.317 27.535 0.824 1.00 4.14 C ATOM 2281 CG GLU A 173 23.617 28.288 1.056 1.00 72.14 C ATOM 2282 CD GLU A 173 24.683 27.938 0.036 1.00 23.41 C ATOM 2283 OE1 GLU A 173 24.360 27.891 -1.169 1.00 45.41 O ATOM 2284 OE2 GLU A 173 25.841 27.710 0.445 1.00 64.24 O ATOM 0 H GLU A 173 22.624 25.384 1.991 1.00 12.41 H new ATOM 0 HA GLU A 173 21.858 27.899 2.893 1.00 42.24 H new ATOM 0 HB2 GLU A 173 22.532 26.613 0.283 1.00 4.14 H new ATOM 0 HB3 GLU A 173 21.668 28.135 0.186 1.00 4.14 H new ATOM 0 HG2 GLU A 173 23.423 29.360 1.020 1.00 72.14 H new ATOM 0 HG3 GLU A 173 23.989 28.064 2.056 1.00 72.14 H new ATOM 2291 N LEU A 174 19.479 26.275 1.296 1.00 44.31 N ATOM 2292 CA LEU A 174 18.047 26.260 1.022 1.00 54.54 C ATOM 2293 C LEU A 174 17.246 26.536 2.291 1.00 64.42 C ATOM 2294 O LEU A 174 16.355 27.385 2.303 1.00 44.02 O ATOM 2295 CB LEU A 174 17.635 24.912 0.428 1.00 50.22 C ATOM 2296 CG LEU A 174 18.217 24.578 -0.946 1.00 40.22 C ATOM 2297 CD1 LEU A 174 18.103 23.088 -1.226 1.00 74.14 C ATOM 2298 CD2 LEU A 174 17.517 25.382 -2.032 1.00 14.21 C ATOM 0 H LEU A 174 19.974 25.435 0.996 1.00 44.31 H new ATOM 0 HA LEU A 174 17.832 27.049 0.301 1.00 54.54 H new ATOM 0 HB2 LEU A 174 17.927 24.126 1.125 1.00 50.22 H new ATOM 0 HB3 LEU A 174 16.548 24.886 0.356 1.00 50.22 H new ATOM 0 HG LEU A 174 19.273 24.847 -0.947 1.00 40.22 H new ATOM 0 HD11 LEU A 174 18.522 22.869 -2.208 1.00 74.14 H new ATOM 0 HD12 LEU A 174 18.651 22.532 -0.465 1.00 74.14 H new ATOM 0 HD13 LEU A 174 17.054 22.793 -1.206 1.00 74.14 H new ATOM 0 HD21 LEU A 174 17.944 25.131 -3.003 1.00 14.21 H new ATOM 0 HD22 LEU A 174 16.453 25.145 -2.032 1.00 14.21 H new ATOM 0 HD23 LEU A 174 17.652 26.447 -1.840 1.00 14.21 H new ATOM 2310 N ASP A 175 17.572 25.813 3.357 1.00 12.42 N ATOM 2311 CA ASP A 175 16.886 25.982 4.633 1.00 72.20 C ATOM 2312 C ASP A 175 17.275 27.303 5.289 1.00 55.12 C ATOM 2313 O ASP A 175 16.423 28.021 5.811 1.00 12.31 O ATOM 2314 CB ASP A 175 17.213 24.818 5.570 1.00 74.44 C ATOM 2315 CG ASP A 175 16.856 25.118 7.012 1.00 21.42 C ATOM 2316 OD1 ASP A 175 15.684 24.911 7.388 1.00 15.24 O ATOM 2317 OD2 ASP A 175 17.749 25.560 7.765 1.00 65.40 O ATOM 0 H ASP A 175 18.306 25.105 3.363 1.00 12.42 H new ATOM 0 HA ASP A 175 15.813 25.994 4.441 1.00 72.20 H new ATOM 0 HB2 ASP A 175 16.674 23.929 5.243 1.00 74.44 H new ATOM 0 HB3 ASP A 175 18.276 24.588 5.502 1.00 74.44 H new ATOM 2322 N GLU A 176 18.566 27.616 5.258 1.00 23.21 N ATOM 2323 CA GLU A 176 19.067 28.850 5.852 1.00 60.04 C ATOM 2324 C GLU A 176 18.346 30.064 5.273 1.00 73.21 C ATOM 2325 O GLU A 176 17.717 30.832 6.002 1.00 54.34 O ATOM 2326 CB GLU A 176 20.574 28.979 5.619 1.00 52.44 C ATOM 2327 CG GLU A 176 21.306 29.686 6.747 1.00 33.12 C ATOM 2328 CD GLU A 176 21.374 31.188 6.548 1.00 21.41 C ATOM 2329 OE1 GLU A 176 20.577 31.717 5.746 1.00 44.23 O ATOM 2330 OE2 GLU A 176 22.225 31.833 7.196 1.00 40.14 O ATOM 0 H GLU A 176 19.284 27.033 4.828 1.00 23.21 H new ATOM 0 HA GLU A 176 18.874 28.812 6.924 1.00 60.04 H new ATOM 0 HB2 GLU A 176 20.999 27.984 5.489 1.00 52.44 H new ATOM 0 HB3 GLU A 176 20.744 29.523 4.690 1.00 52.44 H new ATOM 0 HG2 GLU A 176 20.805 29.471 7.691 1.00 33.12 H new ATOM 0 HG3 GLU A 176 22.318 29.287 6.825 1.00 33.12 H new ATOM 2337 N LEU A 177 18.442 30.230 3.959 1.00 51.45 N ATOM 2338 CA LEU A 177 17.799 31.351 3.280 1.00 24.13 C ATOM 2339 C LEU A 177 16.316 31.420 3.628 1.00 31.30 C ATOM 2340 O LEU A 177 15.762 32.502 3.816 1.00 2.53 O ATOM 2341 CB LEU A 177 17.975 31.224 1.766 1.00 54.21 C ATOM 2342 CG LEU A 177 19.268 31.800 1.189 1.00 3.54 C ATOM 2343 CD1 LEU A 177 19.611 31.128 -0.131 1.00 35.32 C ATOM 2344 CD2 LEU A 177 19.146 33.306 1.007 1.00 45.32 C ATOM 0 H LEU A 177 18.959 29.603 3.342 1.00 51.45 H new ATOM 0 HA LEU A 177 18.275 32.271 3.619 1.00 24.13 H new ATOM 0 HB2 LEU A 177 17.922 30.168 1.502 1.00 54.21 H new ATOM 0 HB3 LEU A 177 17.133 31.717 1.280 1.00 54.21 H new ATOM 0 HG LEU A 177 20.076 31.603 1.893 1.00 3.54 H new ATOM 0 HD11 LEU A 177 20.534 31.552 -0.526 1.00 35.32 H new ATOM 0 HD12 LEU A 177 19.742 30.058 0.029 1.00 35.32 H new ATOM 0 HD13 LEU A 177 18.803 31.292 -0.844 1.00 35.32 H new ATOM 0 HD21 LEU A 177 20.076 33.699 0.595 1.00 45.32 H new ATOM 0 HD22 LEU A 177 18.325 33.525 0.324 1.00 45.32 H new ATOM 0 HD23 LEU A 177 18.950 33.774 1.971 1.00 45.32 H new ATOM 2356 N MET A 178 15.679 30.256 3.714 1.00 52.45 N ATOM 2357 CA MET A 178 14.260 30.185 4.042 1.00 11.04 C ATOM 2358 C MET A 178 13.973 30.883 5.368 1.00 24.44 C ATOM 2359 O MET A 178 12.927 31.507 5.539 1.00 75.45 O ATOM 2360 CB MET A 178 13.803 28.727 4.111 1.00 61.51 C ATOM 2361 CG MET A 178 12.302 28.568 4.288 1.00 32.43 C ATOM 2362 SD MET A 178 11.715 26.932 3.808 1.00 21.44 S ATOM 2363 CE MET A 178 11.933 27.001 2.032 1.00 42.31 C ATOM 0 H MET A 178 16.123 29.350 3.561 1.00 52.45 H new ATOM 0 HA MET A 178 13.705 30.695 3.255 1.00 11.04 H new ATOM 0 HB2 MET A 178 14.109 28.215 3.198 1.00 61.51 H new ATOM 0 HB3 MET A 178 14.312 28.234 4.939 1.00 61.51 H new ATOM 0 HG2 MET A 178 12.042 28.752 5.330 1.00 32.43 H new ATOM 0 HG3 MET A 178 11.788 29.323 3.693 1.00 32.43 H new ATOM 0 HE1 MET A 178 11.257 26.292 1.555 1.00 42.31 H new ATOM 0 HE2 MET A 178 11.713 28.008 1.677 1.00 42.31 H new ATOM 0 HE3 MET A 178 12.963 26.745 1.782 1.00 42.31 H new ATOM 2373 N ALA A 179 14.910 30.772 6.305 1.00 61.04 N ATOM 2374 CA ALA A 179 14.758 31.394 7.614 1.00 24.53 C ATOM 2375 C ALA A 179 14.866 32.912 7.517 1.00 21.43 C ATOM 2376 O ALA A 179 14.130 33.639 8.184 1.00 44.42 O ATOM 2377 CB ALA A 179 15.800 30.849 8.581 1.00 51.33 C ATOM 0 H ALA A 179 15.782 30.257 6.181 1.00 61.04 H new ATOM 0 HA ALA A 179 13.765 31.151 7.992 1.00 24.53 H new ATOM 0 HB1 ALA A 179 15.675 31.322 9.555 1.00 51.33 H new ATOM 0 HB2 ALA A 179 15.674 29.771 8.682 1.00 51.33 H new ATOM 0 HB3 ALA A 179 16.798 31.063 8.199 1.00 51.33 H new ATOM 2383 N SER A 180 15.788 33.383 6.684 1.00 71.33 N ATOM 2384 CA SER A 180 15.995 34.815 6.503 1.00 31.11 C ATOM 2385 C SER A 180 14.727 35.486 5.985 1.00 75.12 C ATOM 2386 O SER A 180 14.428 36.629 6.333 1.00 11.03 O ATOM 2387 CB SER A 180 17.151 35.066 5.533 1.00 2.35 C ATOM 2388 OG SER A 180 16.683 35.181 4.201 1.00 44.02 O ATOM 0 H SER A 180 16.404 32.794 6.124 1.00 71.33 H new ATOM 0 HA SER A 180 16.243 35.246 7.473 1.00 31.11 H new ATOM 0 HB2 SER A 180 17.677 35.978 5.817 1.00 2.35 H new ATOM 0 HB3 SER A 180 17.870 34.249 5.600 1.00 2.35 H new ATOM 0 HG SER A 180 16.338 34.315 3.900 1.00 44.02 H new ATOM 2394 N LEU A 181 13.984 34.767 5.150 1.00 14.43 N ATOM 2395 CA LEU A 181 12.746 35.292 4.583 1.00 63.25 C ATOM 2396 C LEU A 181 11.557 34.978 5.485 1.00 42.10 C ATOM 2397 O LEU A 181 10.560 35.700 5.489 1.00 44.34 O ATOM 2398 CB LEU A 181 12.512 34.705 3.189 1.00 25.03 C ATOM 2399 CG LEU A 181 13.236 35.402 2.037 1.00 5.42 C ATOM 2400 CD1 LEU A 181 13.593 34.403 0.948 1.00 63.11 C ATOM 2401 CD2 LEU A 181 12.381 36.527 1.472 1.00 33.23 C ATOM 0 H LEU A 181 14.217 33.820 4.851 1.00 14.43 H new ATOM 0 HA LEU A 181 12.842 36.375 4.504 1.00 63.25 H new ATOM 0 HB2 LEU A 181 12.815 33.658 3.202 1.00 25.03 H new ATOM 0 HB3 LEU A 181 11.442 34.724 2.984 1.00 25.03 H new ATOM 0 HG LEU A 181 14.160 35.833 2.422 1.00 5.42 H new ATOM 0 HD11 LEU A 181 14.108 34.918 0.137 1.00 63.11 H new ATOM 0 HD12 LEU A 181 14.245 33.633 1.360 1.00 63.11 H new ATOM 0 HD13 LEU A 181 12.683 33.941 0.565 1.00 63.11 H new ATOM 0 HD21 LEU A 181 12.912 37.012 0.653 1.00 33.23 H new ATOM 0 HD22 LEU A 181 11.440 36.119 1.103 1.00 33.23 H new ATOM 0 HD23 LEU A 181 12.177 37.257 2.255 1.00 33.23 H new ATOM 2413 N SER A 182 11.671 33.897 6.250 1.00 13.44 N ATOM 2414 CA SER A 182 10.604 33.487 7.156 1.00 3.15 C ATOM 2415 C SER A 182 10.305 34.583 8.175 1.00 23.21 C ATOM 2416 O SER A 182 9.181 35.078 8.259 1.00 21.41 O ATOM 2417 CB SER A 182 10.989 32.195 7.879 1.00 24.40 C ATOM 2418 OG SER A 182 10.327 32.092 9.128 1.00 60.45 O ATOM 0 H SER A 182 12.490 33.290 6.261 1.00 13.44 H new ATOM 0 HA SER A 182 9.706 33.311 6.564 1.00 3.15 H new ATOM 0 HB2 SER A 182 10.734 31.337 7.257 1.00 24.40 H new ATOM 0 HB3 SER A 182 12.068 32.168 8.032 1.00 24.40 H new ATOM 0 HG SER A 182 10.589 31.257 9.569 1.00 60.45 H new ATOM 2424 N ASP A 183 11.320 34.957 8.947 1.00 33.31 N ATOM 2425 CA ASP A 183 11.167 35.995 9.960 1.00 24.52 C ATOM 2426 C ASP A 183 10.016 35.666 10.906 1.00 51.45 C ATOM 2427 O ASP A 183 10.213 35.521 12.113 1.00 41.03 O ATOM 2428 CB ASP A 183 10.929 37.352 9.298 1.00 51.40 C ATOM 2429 CG ASP A 183 12.117 37.812 8.476 1.00 52.22 C ATOM 2430 OD1 ASP A 183 13.265 37.590 8.915 1.00 13.24 O ATOM 2431 OD2 ASP A 183 11.899 38.393 7.392 1.00 13.24 O ATOM 0 H ASP A 183 12.257 34.557 8.891 1.00 33.31 H new ATOM 0 HA ASP A 183 12.088 36.040 10.541 1.00 24.52 H new ATOM 0 HB2 ASP A 183 10.049 37.291 8.657 1.00 51.40 H new ATOM 0 HB3 ASP A 183 10.713 38.095 10.066 1.00 51.40 H new