USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 554 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 Single : A 6 SER OG : rot 42:sc= 0.0548 USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.0678 USER MOD Single : A 19 ASN : amide:sc= -5.18! C(o=-5.2!,f=-4.1!) USER MOD Single : A 20 THR OG1 : rot 180:sc= -1.53! USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -1.57 K(o=-1.6,f=-2.4!) USER MOD Single : A 30 HIS : no HD1:sc= -0.0763 X(o=-0.076,f=-0.24) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= -3.43 K(o=-3.4,f=-6.6!) USER MOD Single : A 37 SER OG : rot 180:sc= 0.0096 USER MOD Single : A 39 LYS NZ :NH3+ -162:sc= -2.51! (180deg=-2.97!) USER MOD Single : A 40 MET CE :methyl -167:sc= 0 (180deg=-0.311) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -3.74! C(o=-3.7!,f=-9!) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 41:sc= -2.75! USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0.0517 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot -76:sc= 1.1 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 77 N SER A 6 1.125 17.146 -1.321 1.00 0.00 N ATOM 78 CA SER A 6 2.063 18.231 -1.705 1.00 0.00 C ATOM 79 C SER A 6 3.498 17.836 -1.388 1.00 0.00 C ATOM 80 O SER A 6 3.755 16.742 -0.925 1.00 0.00 O ATOM 81 CB SER A 6 1.709 19.493 -0.904 1.00 0.00 C ATOM 82 OG SER A 6 0.482 19.930 -1.469 1.00 0.00 O ATOM 0 HA SER A 6 1.975 18.414 -2.776 1.00 0.00 H new ATOM 0 HB2 SER A 6 1.603 19.274 0.158 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.484 20.254 -0.997 1.00 0.00 H new ATOM 0 HG SER A 6 -0.096 19.156 -1.633 1.00 0.00 H new ATOM 88 N PHE A 7 4.412 18.733 -1.642 1.00 0.00 N ATOM 89 CA PHE A 7 5.831 18.415 -1.356 1.00 0.00 C ATOM 90 C PHE A 7 6.629 19.679 -1.074 1.00 0.00 C ATOM 91 O PHE A 7 6.570 20.636 -1.820 1.00 0.00 O ATOM 92 CB PHE A 7 6.425 17.716 -2.586 1.00 0.00 C ATOM 93 CG PHE A 7 5.854 16.304 -2.680 1.00 0.00 C ATOM 94 CD1 PHE A 7 6.068 15.393 -1.660 1.00 0.00 C ATOM 95 CD2 PHE A 7 5.107 15.917 -3.780 1.00 0.00 C ATOM 96 CE1 PHE A 7 5.542 14.120 -1.739 1.00 0.00 C ATOM 97 CE2 PHE A 7 4.583 14.644 -3.855 1.00 0.00 C ATOM 98 CZ PHE A 7 4.801 13.747 -2.836 1.00 0.00 C ATOM 0 H PHE A 7 4.237 19.660 -2.030 1.00 0.00 H new ATOM 0 HA PHE A 7 5.881 17.774 -0.476 1.00 0.00 H new ATOM 0 HB2 PHE A 7 6.189 18.278 -3.489 1.00 0.00 H new ATOM 0 HB3 PHE A 7 7.512 17.678 -2.509 1.00 0.00 H new ATOM 0 HD1 PHE A 7 6.650 15.680 -0.797 1.00 0.00 H new ATOM 0 HD2 PHE A 7 4.934 16.617 -4.584 1.00 0.00 H new ATOM 0 HE1 PHE A 7 5.712 13.415 -0.938 1.00 0.00 H new ATOM 0 HE2 PHE A 7 4.000 14.351 -4.716 1.00 0.00 H new ATOM 0 HZ PHE A 7 4.391 12.750 -2.897 1.00 0.00 H new ATOM 108 N GLU A 8 7.365 19.657 0.006 1.00 0.00 N ATOM 109 CA GLU A 8 8.175 20.846 0.359 1.00 0.00 C ATOM 110 C GLU A 8 9.600 20.712 -0.165 1.00 0.00 C ATOM 111 O GLU A 8 10.139 19.627 -0.242 1.00 0.00 O ATOM 112 CB GLU A 8 8.226 20.961 1.889 1.00 0.00 C ATOM 113 CG GLU A 8 8.547 19.588 2.484 1.00 0.00 C ATOM 114 CD GLU A 8 8.997 19.756 3.934 1.00 0.00 C ATOM 115 OE1 GLU A 8 10.192 19.922 4.115 1.00 0.00 O ATOM 116 OE2 GLU A 8 8.121 19.710 4.780 1.00 0.00 O ATOM 0 H GLU A 8 7.436 18.870 0.651 1.00 0.00 H new ATOM 0 HA GLU A 8 7.719 21.729 -0.090 1.00 0.00 H new ATOM 0 HB2 GLU A 8 8.983 21.686 2.187 1.00 0.00 H new ATOM 0 HB3 GLU A 8 7.271 21.322 2.271 1.00 0.00 H new ATOM 0 HG2 GLU A 8 7.669 18.944 2.437 1.00 0.00 H new ATOM 0 HG3 GLU A 8 9.330 19.102 1.903 1.00 0.00 H new ATOM 123 N MET A 9 10.177 21.821 -0.521 1.00 0.00 N ATOM 124 CA MET A 9 11.562 21.793 -1.043 1.00 0.00 C ATOM 125 C MET A 9 12.178 23.178 -0.963 1.00 0.00 C ATOM 126 O MET A 9 11.606 24.135 -1.436 1.00 0.00 O ATOM 127 CB MET A 9 11.526 21.347 -2.511 1.00 0.00 C ATOM 128 CG MET A 9 12.736 20.452 -2.790 1.00 0.00 C ATOM 129 SD MET A 9 12.936 19.821 -4.475 1.00 0.00 S ATOM 130 CE MET A 9 11.854 18.380 -4.304 1.00 0.00 C ATOM 0 H MET A 9 9.748 22.745 -0.472 1.00 0.00 H new ATOM 0 HA MET A 9 12.159 21.102 -0.448 1.00 0.00 H new ATOM 0 HB2 MET A 9 10.602 20.806 -2.718 1.00 0.00 H new ATOM 0 HB3 MET A 9 11.541 22.216 -3.169 1.00 0.00 H new ATOM 0 HG2 MET A 9 13.635 21.011 -2.531 1.00 0.00 H new ATOM 0 HG3 MET A 9 12.686 19.598 -2.114 1.00 0.00 H new ATOM 0 HE1 MET A 9 11.827 17.831 -5.245 1.00 0.00 H new ATOM 0 HE2 MET A 9 12.235 17.730 -3.516 1.00 0.00 H new ATOM 0 HE3 MET A 9 10.847 18.709 -4.047 1.00 0.00 H new ATOM 140 N GLU A 10 13.332 23.266 -0.366 1.00 0.00 N ATOM 141 CA GLU A 10 13.989 24.591 -0.252 1.00 0.00 C ATOM 142 C GLU A 10 14.538 25.051 -1.598 1.00 0.00 C ATOM 143 O GLU A 10 14.960 24.249 -2.408 1.00 0.00 O ATOM 144 CB GLU A 10 15.156 24.469 0.742 1.00 0.00 C ATOM 145 CG GLU A 10 14.659 23.793 2.021 1.00 0.00 C ATOM 146 CD GLU A 10 15.640 24.078 3.160 1.00 0.00 C ATOM 147 OE1 GLU A 10 16.718 23.511 3.101 1.00 0.00 O ATOM 148 OE2 GLU A 10 15.255 24.848 4.026 1.00 0.00 O ATOM 0 H GLU A 10 13.843 22.484 0.044 1.00 0.00 H new ATOM 0 HA GLU A 10 13.254 25.320 0.089 1.00 0.00 H new ATOM 0 HB2 GLU A 10 15.966 23.888 0.301 1.00 0.00 H new ATOM 0 HB3 GLU A 10 15.559 25.456 0.971 1.00 0.00 H new ATOM 0 HG2 GLU A 10 13.667 24.163 2.279 1.00 0.00 H new ATOM 0 HG3 GLU A 10 14.567 22.718 1.865 1.00 0.00 H new ATOM 155 N GLY A 11 14.523 26.342 -1.814 1.00 0.00 N ATOM 156 CA GLY A 11 15.043 26.873 -3.107 1.00 0.00 C ATOM 157 C GLY A 11 15.435 28.341 -2.946 1.00 0.00 C ATOM 158 O GLY A 11 15.465 28.855 -1.844 1.00 0.00 O ATOM 0 H GLY A 11 14.177 27.043 -1.159 1.00 0.00 H new ATOM 0 HA2 GLY A 11 15.906 26.290 -3.429 1.00 0.00 H new ATOM 0 HA3 GLY A 11 14.284 26.773 -3.883 1.00 0.00 H new ATOM 162 N THR A 12 15.729 28.982 -4.051 1.00 0.00 N ATOM 163 CA THR A 12 16.123 30.418 -3.995 1.00 0.00 C ATOM 164 C THR A 12 15.223 31.248 -4.909 1.00 0.00 C ATOM 165 O THR A 12 14.679 30.739 -5.864 1.00 0.00 O ATOM 166 CB THR A 12 17.576 30.530 -4.473 1.00 0.00 C ATOM 167 OG1 THR A 12 18.343 29.861 -3.494 1.00 0.00 O ATOM 168 CG2 THR A 12 18.061 31.980 -4.416 1.00 0.00 C ATOM 0 H THR A 12 15.712 28.572 -4.985 1.00 0.00 H new ATOM 0 HA THR A 12 16.022 30.792 -2.976 1.00 0.00 H new ATOM 0 HB THR A 12 17.661 30.140 -5.487 1.00 0.00 H new ATOM 0 HG1 THR A 12 19.291 29.894 -3.742 1.00 0.00 H new ATOM 0 HG21 THR A 12 19.094 32.032 -4.760 1.00 0.00 H new ATOM 0 HG22 THR A 12 17.433 32.599 -5.057 1.00 0.00 H new ATOM 0 HG23 THR A 12 18.002 32.343 -3.390 1.00 0.00 H new ATOM 176 N VAL A 13 15.096 32.517 -4.602 1.00 0.00 N ATOM 177 CA VAL A 13 14.202 33.408 -5.477 1.00 0.00 C ATOM 178 C VAL A 13 14.952 34.381 -6.387 1.00 0.00 C ATOM 179 O VAL A 13 15.449 35.378 -5.924 1.00 0.00 O ATOM 180 CB VAL A 13 13.366 34.311 -4.550 1.00 0.00 C ATOM 181 CG1 VAL A 13 12.432 35.175 -5.399 1.00 0.00 C ATOM 182 CG2 VAL A 13 12.538 33.446 -3.597 1.00 0.00 C ATOM 0 H VAL A 13 15.548 32.982 -3.814 1.00 0.00 H new ATOM 0 HA VAL A 13 13.632 32.717 -6.097 1.00 0.00 H new ATOM 0 HB VAL A 13 14.030 34.950 -3.968 1.00 0.00 H new ATOM 0 HG11 VAL A 13 11.838 35.816 -4.748 1.00 0.00 H new ATOM 0 HG12 VAL A 13 13.023 35.792 -6.076 1.00 0.00 H new ATOM 0 HG13 VAL A 13 11.769 34.533 -5.979 1.00 0.00 H new ATOM 0 HG21 VAL A 13 11.948 34.088 -2.943 1.00 0.00 H new ATOM 0 HG22 VAL A 13 11.871 32.805 -4.174 1.00 0.00 H new ATOM 0 HG23 VAL A 13 13.204 32.828 -2.995 1.00 0.00 H new ATOM 192 N VAL A 14 14.985 34.115 -7.681 1.00 0.00 N ATOM 193 CA VAL A 14 15.694 35.051 -8.554 1.00 0.00 C ATOM 194 C VAL A 14 15.069 35.052 -9.944 1.00 0.00 C ATOM 195 O VAL A 14 15.515 34.396 -10.860 1.00 0.00 O ATOM 196 CB VAL A 14 17.160 34.596 -8.654 1.00 0.00 C ATOM 197 CG1 VAL A 14 18.079 35.818 -8.549 1.00 0.00 C ATOM 198 CG2 VAL A 14 17.474 33.625 -7.518 1.00 0.00 C ATOM 0 H VAL A 14 14.558 33.309 -8.137 1.00 0.00 H new ATOM 0 HA VAL A 14 15.631 36.059 -8.144 1.00 0.00 H new ATOM 0 HB VAL A 14 17.321 34.098 -9.610 1.00 0.00 H new ATOM 0 HG11 VAL A 14 19.119 35.498 -8.620 1.00 0.00 H new ATOM 0 HG12 VAL A 14 17.857 36.511 -9.360 1.00 0.00 H new ATOM 0 HG13 VAL A 14 17.916 36.315 -7.592 1.00 0.00 H new ATOM 0 HG21 VAL A 14 18.513 33.304 -7.591 1.00 0.00 H new ATOM 0 HG22 VAL A 14 17.314 34.121 -6.561 1.00 0.00 H new ATOM 0 HG23 VAL A 14 16.820 32.756 -7.591 1.00 0.00 H new ATOM 208 N ASP A 15 14.045 35.825 -10.031 1.00 0.00 N ATOM 209 CA ASP A 15 13.277 35.995 -11.285 1.00 0.00 C ATOM 210 C ASP A 15 12.036 36.801 -10.976 1.00 0.00 C ATOM 211 O ASP A 15 11.460 36.623 -9.922 1.00 0.00 O ATOM 212 CB ASP A 15 12.835 34.661 -11.825 1.00 0.00 C ATOM 213 CG ASP A 15 11.991 34.902 -13.070 1.00 0.00 C ATOM 214 OD1 ASP A 15 12.601 35.177 -14.091 1.00 0.00 O ATOM 215 OD2 ASP A 15 10.790 34.806 -12.933 1.00 0.00 O ATOM 0 H ASP A 15 13.688 36.374 -9.249 1.00 0.00 H new ATOM 0 HA ASP A 15 13.910 36.492 -12.021 1.00 0.00 H new ATOM 0 HB2 ASP A 15 13.701 34.044 -12.067 1.00 0.00 H new ATOM 0 HB3 ASP A 15 12.258 34.120 -11.075 1.00 0.00 H new ATOM 220 N THR A 16 11.616 37.630 -11.882 1.00 0.00 N ATOM 221 CA THR A 16 10.387 38.443 -11.612 1.00 0.00 C ATOM 222 C THR A 16 9.410 38.363 -12.774 1.00 0.00 C ATOM 223 O THR A 16 9.609 38.979 -13.802 1.00 0.00 O ATOM 224 CB THR A 16 10.812 39.904 -11.416 1.00 0.00 C ATOM 225 OG1 THR A 16 9.731 40.682 -11.896 1.00 0.00 O ATOM 226 CG2 THR A 16 11.982 40.255 -12.341 1.00 0.00 C ATOM 0 H THR A 16 12.057 37.785 -12.788 1.00 0.00 H new ATOM 0 HA THR A 16 9.892 38.054 -10.722 1.00 0.00 H new ATOM 0 HB THR A 16 11.082 40.073 -10.374 1.00 0.00 H new ATOM 0 HG1 THR A 16 9.943 41.634 -11.796 1.00 0.00 H new ATOM 0 HG21 THR A 16 12.268 41.295 -12.187 1.00 0.00 H new ATOM 0 HG22 THR A 16 12.830 39.608 -12.117 1.00 0.00 H new ATOM 0 HG23 THR A 16 11.681 40.112 -13.379 1.00 0.00 H new ATOM 234 N LEU A 17 8.362 37.600 -12.587 1.00 0.00 N ATOM 235 CA LEU A 17 7.359 37.464 -13.665 1.00 0.00 C ATOM 236 C LEU A 17 6.212 38.462 -13.454 1.00 0.00 C ATOM 237 O LEU A 17 6.079 39.035 -12.385 1.00 0.00 O ATOM 238 CB LEU A 17 6.781 36.050 -13.608 1.00 0.00 C ATOM 239 CG LEU A 17 7.824 35.047 -14.087 1.00 0.00 C ATOM 240 CD1 LEU A 17 7.148 33.708 -14.247 1.00 0.00 C ATOM 241 CD2 LEU A 17 8.393 35.473 -15.443 1.00 0.00 C ATOM 0 H LEU A 17 8.166 37.072 -11.737 1.00 0.00 H new ATOM 0 HA LEU A 17 7.835 37.659 -14.626 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.476 35.813 -12.589 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.889 35.986 -14.231 1.00 0.00 H new ATOM 0 HG LEU A 17 8.637 34.995 -13.363 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.875 32.972 -14.590 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.736 33.392 -13.289 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.344 33.791 -14.978 1.00 0.00 H new ATOM 0 HD21 LEU A 17 9.136 34.746 -15.770 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.588 35.524 -16.176 1.00 0.00 H new ATOM 0 HD23 LEU A 17 8.861 36.453 -15.350 1.00 0.00 H new ATOM 253 N PRO A 18 5.356 38.619 -14.463 1.00 0.00 N ATOM 254 CA PRO A 18 4.241 39.541 -14.351 1.00 0.00 C ATOM 255 C PRO A 18 2.992 38.793 -13.937 1.00 0.00 C ATOM 256 O PRO A 18 2.943 37.583 -14.015 1.00 0.00 O ATOM 257 CB PRO A 18 4.035 40.054 -15.788 1.00 0.00 C ATOM 258 CG PRO A 18 4.781 39.053 -16.731 1.00 0.00 C ATOM 259 CD PRO A 18 5.561 38.082 -15.824 1.00 0.00 C ATOM 0 HA PRO A 18 4.430 40.329 -13.622 1.00 0.00 H new ATOM 0 HB2 PRO A 18 2.974 40.101 -16.034 1.00 0.00 H new ATOM 0 HB3 PRO A 18 4.433 41.062 -15.900 1.00 0.00 H new ATOM 0 HG2 PRO A 18 4.072 38.511 -17.358 1.00 0.00 H new ATOM 0 HG3 PRO A 18 5.458 39.584 -17.401 1.00 0.00 H new ATOM 0 HD2 PRO A 18 5.183 37.063 -15.912 1.00 0.00 H new ATOM 0 HD3 PRO A 18 6.619 38.053 -16.086 1.00 0.00 H new ATOM 267 N ASN A 19 2.023 39.530 -13.468 1.00 0.00 N ATOM 268 CA ASN A 19 0.752 38.905 -13.027 1.00 0.00 C ATOM 269 C ASN A 19 0.930 38.332 -11.628 1.00 0.00 C ATOM 270 O ASN A 19 0.208 37.449 -11.215 1.00 0.00 O ATOM 271 CB ASN A 19 0.350 37.770 -13.999 1.00 0.00 C ATOM 272 CG ASN A 19 0.845 38.097 -15.414 1.00 0.00 C ATOM 273 OD1 ASN A 19 1.358 37.246 -16.115 1.00 0.00 O ATOM 274 ND2 ASN A 19 0.713 39.312 -15.870 1.00 0.00 N ATOM 0 H ASN A 19 2.061 40.545 -13.372 1.00 0.00 H new ATOM 0 HA ASN A 19 -0.033 39.662 -13.020 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.776 36.824 -13.664 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -0.733 37.648 -14.002 1.00 0.00 H new ATOM 0 HD21 ASN A 19 1.039 39.543 -16.809 1.00 0.00 H new ATOM 0 HD22 ASN A 19 0.284 40.031 -15.288 1.00 0.00 H new ATOM 281 N THR A 20 1.908 38.856 -10.926 1.00 0.00 N ATOM 282 CA THR A 20 2.176 38.375 -9.546 1.00 0.00 C ATOM 283 C THR A 20 2.872 37.008 -9.553 1.00 0.00 C ATOM 284 O THR A 20 2.346 36.037 -9.050 1.00 0.00 O ATOM 285 CB THR A 20 0.826 38.262 -8.805 1.00 0.00 C ATOM 286 OG1 THR A 20 -0.017 39.207 -9.431 1.00 0.00 O ATOM 287 CG2 THR A 20 0.948 38.765 -7.355 1.00 0.00 C ATOM 0 H THR A 20 2.528 39.596 -11.255 1.00 0.00 H new ATOM 0 HA THR A 20 2.839 39.081 -9.046 1.00 0.00 H new ATOM 0 HB THR A 20 0.481 37.228 -8.823 1.00 0.00 H new ATOM 0 HG1 THR A 20 -0.901 39.188 -9.008 1.00 0.00 H new ATOM 0 HG21 THR A 20 -0.017 38.674 -6.856 1.00 0.00 H new ATOM 0 HG22 THR A 20 1.689 38.168 -6.824 1.00 0.00 H new ATOM 0 HG23 THR A 20 1.258 39.810 -7.357 1.00 0.00 H new ATOM 295 N MET A 21 4.056 36.951 -10.126 1.00 0.00 N ATOM 296 CA MET A 21 4.770 35.645 -10.155 1.00 0.00 C ATOM 297 C MET A 21 6.281 35.844 -10.160 1.00 0.00 C ATOM 298 O MET A 21 6.772 36.896 -10.517 1.00 0.00 O ATOM 299 CB MET A 21 4.361 34.892 -11.438 1.00 0.00 C ATOM 300 CG MET A 21 3.015 34.197 -11.210 1.00 0.00 C ATOM 301 SD MET A 21 2.530 32.912 -12.389 1.00 0.00 S ATOM 302 CE MET A 21 0.870 33.542 -12.737 1.00 0.00 C ATOM 0 H MET A 21 4.542 37.734 -10.562 1.00 0.00 H new ATOM 0 HA MET A 21 4.501 35.077 -9.264 1.00 0.00 H new ATOM 0 HB2 MET A 21 4.287 35.588 -12.274 1.00 0.00 H new ATOM 0 HB3 MET A 21 5.122 34.158 -11.701 1.00 0.00 H new ATOM 0 HG2 MET A 21 3.030 33.753 -10.215 1.00 0.00 H new ATOM 0 HG3 MET A 21 2.238 34.961 -11.206 1.00 0.00 H new ATOM 0 HE1 MET A 21 0.376 32.889 -13.457 1.00 0.00 H new ATOM 0 HE2 MET A 21 0.290 33.569 -11.814 1.00 0.00 H new ATOM 0 HE3 MET A 21 0.942 34.548 -13.150 1.00 0.00 H new ATOM 312 N PHE A 22 6.993 34.824 -9.750 1.00 0.00 N ATOM 313 CA PHE A 22 8.459 34.914 -9.719 1.00 0.00 C ATOM 314 C PHE A 22 9.022 33.521 -9.909 1.00 0.00 C ATOM 315 O PHE A 22 8.326 32.554 -9.663 1.00 0.00 O ATOM 316 CB PHE A 22 8.883 35.443 -8.337 1.00 0.00 C ATOM 317 CG PHE A 22 7.972 36.607 -7.935 1.00 0.00 C ATOM 318 CD1 PHE A 22 6.694 36.367 -7.462 1.00 0.00 C ATOM 319 CD2 PHE A 22 8.419 37.915 -8.028 1.00 0.00 C ATOM 320 CE1 PHE A 22 5.878 37.416 -7.087 1.00 0.00 C ATOM 321 CE2 PHE A 22 7.600 38.961 -7.654 1.00 0.00 C ATOM 322 CZ PHE A 22 6.332 38.711 -7.183 1.00 0.00 C ATOM 0 H PHE A 22 6.607 33.934 -9.436 1.00 0.00 H new ATOM 0 HA PHE A 22 8.825 35.578 -10.502 1.00 0.00 H new ATOM 0 HB2 PHE A 22 8.821 34.646 -7.596 1.00 0.00 H new ATOM 0 HB3 PHE A 22 9.922 35.773 -8.365 1.00 0.00 H new ATOM 0 HD1 PHE A 22 6.332 35.352 -7.386 1.00 0.00 H new ATOM 0 HD2 PHE A 22 9.414 38.117 -8.395 1.00 0.00 H new ATOM 0 HE1 PHE A 22 4.882 37.219 -6.718 1.00 0.00 H new ATOM 0 HE2 PHE A 22 7.955 39.978 -7.731 1.00 0.00 H new ATOM 0 HZ PHE A 22 5.693 39.531 -6.889 1.00 0.00 H new ATOM 332 N ARG A 23 10.259 33.416 -10.329 1.00 0.00 N ATOM 333 CA ARG A 23 10.826 32.035 -10.519 1.00 0.00 C ATOM 334 C ARG A 23 11.684 31.669 -9.354 1.00 0.00 C ATOM 335 O ARG A 23 12.542 32.432 -8.939 1.00 0.00 O ATOM 336 CB ARG A 23 11.692 31.953 -11.798 1.00 0.00 C ATOM 337 CG ARG A 23 11.679 30.509 -12.318 1.00 0.00 C ATOM 338 CD ARG A 23 12.293 30.466 -13.722 1.00 0.00 C ATOM 339 NE ARG A 23 11.427 31.236 -14.655 1.00 0.00 N ATOM 340 CZ ARG A 23 11.962 32.126 -15.444 1.00 0.00 C ATOM 341 NH1 ARG A 23 12.738 31.729 -16.416 1.00 0.00 N ATOM 342 NH2 ARG A 23 11.702 33.383 -15.238 1.00 0.00 N ATOM 0 H ARG A 23 10.885 34.192 -10.543 1.00 0.00 H new ATOM 0 HA ARG A 23 9.985 31.348 -10.608 1.00 0.00 H new ATOM 0 HB2 ARG A 23 11.305 32.631 -12.559 1.00 0.00 H new ATOM 0 HB3 ARG A 23 12.713 32.266 -11.582 1.00 0.00 H new ATOM 0 HG2 ARG A 23 12.241 29.863 -11.644 1.00 0.00 H new ATOM 0 HG3 ARG A 23 10.657 30.130 -12.344 1.00 0.00 H new ATOM 0 HD2 ARG A 23 13.298 30.888 -13.706 1.00 0.00 H new ATOM 0 HD3 ARG A 23 12.386 29.434 -14.060 1.00 0.00 H new ATOM 0 HE ARG A 23 10.421 31.069 -14.677 1.00 0.00 H new ATOM 0 HH11 ARG A 23 12.919 30.734 -16.550 1.00 0.00 H new ATOM 0 HH12 ARG A 23 13.163 32.414 -17.041 1.00 0.00 H new ATOM 0 HH21 ARG A 23 11.089 33.658 -14.470 1.00 0.00 H new ATOM 0 HH22 ARG A 23 12.111 34.094 -15.844 1.00 0.00 H new ATOM 356 N VAL A 24 11.442 30.506 -8.845 1.00 0.00 N ATOM 357 CA VAL A 24 12.213 30.033 -7.706 1.00 0.00 C ATOM 358 C VAL A 24 13.101 28.954 -8.236 1.00 0.00 C ATOM 359 O VAL A 24 12.628 28.013 -8.843 1.00 0.00 O ATOM 360 CB VAL A 24 11.226 29.495 -6.664 1.00 0.00 C ATOM 361 CG1 VAL A 24 11.887 28.439 -5.802 1.00 0.00 C ATOM 362 CG2 VAL A 24 10.792 30.655 -5.773 1.00 0.00 C ATOM 0 H VAL A 24 10.728 29.860 -9.183 1.00 0.00 H new ATOM 0 HA VAL A 24 12.814 30.808 -7.231 1.00 0.00 H new ATOM 0 HB VAL A 24 10.371 29.050 -7.172 1.00 0.00 H new ATOM 0 HG11 VAL A 24 11.172 28.068 -5.068 1.00 0.00 H new ATOM 0 HG12 VAL A 24 12.222 27.614 -6.430 1.00 0.00 H new ATOM 0 HG13 VAL A 24 12.743 28.874 -5.287 1.00 0.00 H new ATOM 0 HG21 VAL A 24 10.088 30.294 -5.023 1.00 0.00 H new ATOM 0 HG22 VAL A 24 11.665 31.079 -5.277 1.00 0.00 H new ATOM 0 HG23 VAL A 24 10.312 31.422 -6.382 1.00 0.00 H new ATOM 372 N GLU A 25 14.360 29.086 -8.003 1.00 0.00 N ATOM 373 CA GLU A 25 15.277 28.060 -8.513 1.00 0.00 C ATOM 374 C GLU A 25 15.585 26.951 -7.533 1.00 0.00 C ATOM 375 O GLU A 25 15.769 27.142 -6.348 1.00 0.00 O ATOM 376 CB GLU A 25 16.598 28.743 -8.880 1.00 0.00 C ATOM 377 CG GLU A 25 16.300 30.074 -9.567 1.00 0.00 C ATOM 378 CD GLU A 25 17.568 30.575 -10.263 1.00 0.00 C ATOM 379 OE1 GLU A 25 17.880 30.005 -11.295 1.00 0.00 O ATOM 380 OE2 GLU A 25 18.154 31.497 -9.721 1.00 0.00 O ATOM 0 H GLU A 25 14.791 29.853 -7.486 1.00 0.00 H new ATOM 0 HA GLU A 25 14.780 27.596 -9.365 1.00 0.00 H new ATOM 0 HB2 GLU A 25 17.197 28.908 -7.985 1.00 0.00 H new ATOM 0 HB3 GLU A 25 17.182 28.102 -9.540 1.00 0.00 H new ATOM 0 HG2 GLU A 25 15.497 29.950 -10.293 1.00 0.00 H new ATOM 0 HG3 GLU A 25 15.959 30.806 -8.835 1.00 0.00 H new ATOM 387 N LEU A 26 15.624 25.822 -8.106 1.00 0.00 N ATOM 388 CA LEU A 26 15.899 24.581 -7.426 1.00 0.00 C ATOM 389 C LEU A 26 16.906 23.930 -8.326 1.00 0.00 C ATOM 390 O LEU A 26 16.880 22.740 -8.560 1.00 0.00 O ATOM 391 CB LEU A 26 14.623 23.733 -7.297 1.00 0.00 C ATOM 392 CG LEU A 26 13.622 24.507 -6.453 1.00 0.00 C ATOM 393 CD1 LEU A 26 12.233 23.919 -6.656 1.00 0.00 C ATOM 394 CD2 LEU A 26 14.007 24.386 -4.975 1.00 0.00 C ATOM 0 H LEU A 26 15.461 25.706 -9.106 1.00 0.00 H new ATOM 0 HA LEU A 26 16.259 24.710 -6.405 1.00 0.00 H new ATOM 0 HB2 LEU A 26 14.206 23.521 -8.282 1.00 0.00 H new ATOM 0 HB3 LEU A 26 14.850 22.773 -6.833 1.00 0.00 H new ATOM 0 HG LEU A 26 13.625 25.556 -6.751 1.00 0.00 H new ATOM 0 HD11 LEU A 26 11.512 24.471 -6.053 1.00 0.00 H new ATOM 0 HD12 LEU A 26 11.957 23.992 -7.708 1.00 0.00 H new ATOM 0 HD13 LEU A 26 12.233 22.872 -6.353 1.00 0.00 H new ATOM 0 HD21 LEU A 26 13.292 24.939 -4.366 1.00 0.00 H new ATOM 0 HD22 LEU A 26 13.998 23.336 -4.681 1.00 0.00 H new ATOM 0 HD23 LEU A 26 15.006 24.796 -4.824 1.00 0.00 H new ATOM 406 N GLU A 27 17.744 24.828 -8.902 1.00 0.00 N ATOM 407 CA GLU A 27 18.826 24.427 -9.851 1.00 0.00 C ATOM 408 C GLU A 27 19.467 23.140 -9.469 1.00 0.00 C ATOM 409 O GLU A 27 20.295 22.626 -10.194 1.00 0.00 O ATOM 410 CB GLU A 27 19.900 25.528 -9.852 1.00 0.00 C ATOM 411 CG GLU A 27 20.312 25.834 -8.409 1.00 0.00 C ATOM 412 CD GLU A 27 21.512 26.787 -8.415 1.00 0.00 C ATOM 413 OE1 GLU A 27 22.025 27.002 -9.501 1.00 0.00 O ATOM 414 OE2 GLU A 27 21.846 27.243 -7.334 1.00 0.00 O ATOM 0 H GLU A 27 17.696 25.832 -8.730 1.00 0.00 H new ATOM 0 HA GLU A 27 18.378 24.295 -10.836 1.00 0.00 H new ATOM 0 HB2 GLU A 27 20.767 25.206 -10.429 1.00 0.00 H new ATOM 0 HB3 GLU A 27 19.514 26.428 -10.331 1.00 0.00 H new ATOM 0 HG2 GLU A 27 19.479 26.284 -7.869 1.00 0.00 H new ATOM 0 HG3 GLU A 27 20.569 24.911 -7.889 1.00 0.00 H new ATOM 421 N ASN A 28 19.114 22.633 -8.351 1.00 0.00 N ATOM 422 CA ASN A 28 19.698 21.374 -7.956 1.00 0.00 C ATOM 423 C ASN A 28 19.071 20.345 -8.910 1.00 0.00 C ATOM 424 O ASN A 28 18.954 19.174 -8.608 1.00 0.00 O ATOM 425 CB ASN A 28 19.295 21.054 -6.507 1.00 0.00 C ATOM 426 CG ASN A 28 17.775 21.179 -6.365 1.00 0.00 C ATOM 427 OD1 ASN A 28 17.024 20.423 -6.949 1.00 0.00 O ATOM 428 ND2 ASN A 28 17.281 22.117 -5.601 1.00 0.00 N ATOM 0 H ASN A 28 18.445 23.041 -7.697 1.00 0.00 H new ATOM 0 HA ASN A 28 20.787 21.379 -8.005 1.00 0.00 H new ATOM 0 HB2 ASN A 28 19.615 20.046 -6.243 1.00 0.00 H new ATOM 0 HB3 ASN A 28 19.793 21.737 -5.819 1.00 0.00 H new ATOM 0 HD21 ASN A 28 16.271 22.211 -5.498 1.00 0.00 H new ATOM 0 HD22 ASN A 28 17.906 22.755 -5.108 1.00 0.00 H new ATOM 435 N GLY A 29 18.675 20.866 -10.081 1.00 0.00 N ATOM 436 CA GLY A 29 18.043 20.041 -11.134 1.00 0.00 C ATOM 437 C GLY A 29 16.577 20.504 -11.405 1.00 0.00 C ATOM 438 O GLY A 29 15.990 20.092 -12.386 1.00 0.00 O ATOM 0 H GLY A 29 18.779 21.851 -10.327 1.00 0.00 H new ATOM 0 HA2 GLY A 29 18.625 20.110 -12.053 1.00 0.00 H new ATOM 0 HA3 GLY A 29 18.047 18.994 -10.832 1.00 0.00 H new ATOM 442 N HIS A 30 16.016 21.353 -10.526 1.00 0.00 N ATOM 443 CA HIS A 30 14.596 21.823 -10.754 1.00 0.00 C ATOM 444 C HIS A 30 14.430 23.369 -10.793 1.00 0.00 C ATOM 445 O HIS A 30 15.182 24.102 -10.203 1.00 0.00 O ATOM 446 CB HIS A 30 13.726 21.278 -9.610 1.00 0.00 C ATOM 447 CG HIS A 30 12.953 20.051 -10.102 1.00 0.00 C ATOM 448 ND1 HIS A 30 12.281 20.004 -11.155 1.00 0.00 N ATOM 449 CD2 HIS A 30 12.830 18.795 -9.532 1.00 0.00 C ATOM 450 CE1 HIS A 30 11.747 18.865 -11.317 1.00 0.00 C ATOM 451 NE2 HIS A 30 12.041 18.021 -10.328 1.00 0.00 N ATOM 0 H HIS A 30 16.473 21.722 -9.692 1.00 0.00 H new ATOM 0 HA HIS A 30 14.296 21.452 -11.734 1.00 0.00 H new ATOM 0 HB2 HIS A 30 14.351 21.011 -8.758 1.00 0.00 H new ATOM 0 HB3 HIS A 30 13.032 22.046 -9.268 1.00 0.00 H new ATOM 0 HD2 HIS A 30 13.286 18.480 -8.605 1.00 0.00 H new ATOM 0 HE1 HIS A 30 11.124 18.608 -12.161 1.00 0.00 H new ATOM 0 HE2 HIS A 30 11.751 17.051 -10.201 1.00 0.00 H new ATOM 459 N VAL A 31 13.480 23.806 -11.574 1.00 0.00 N ATOM 460 CA VAL A 31 13.189 25.273 -11.705 1.00 0.00 C ATOM 461 C VAL A 31 11.675 25.429 -11.518 1.00 0.00 C ATOM 462 O VAL A 31 10.935 24.603 -12.019 1.00 0.00 O ATOM 463 CB VAL A 31 13.591 25.747 -13.116 1.00 0.00 C ATOM 464 CG1 VAL A 31 12.447 25.472 -14.099 1.00 0.00 C ATOM 465 CG2 VAL A 31 13.869 27.251 -13.080 1.00 0.00 C ATOM 0 H VAL A 31 12.881 23.203 -12.138 1.00 0.00 H new ATOM 0 HA VAL A 31 13.741 25.862 -10.973 1.00 0.00 H new ATOM 0 HB VAL A 31 14.483 25.210 -13.438 1.00 0.00 H new ATOM 0 HG11 VAL A 31 12.735 25.808 -15.095 1.00 0.00 H new ATOM 0 HG12 VAL A 31 12.237 24.403 -14.123 1.00 0.00 H new ATOM 0 HG13 VAL A 31 11.555 26.009 -13.778 1.00 0.00 H new ATOM 0 HG21 VAL A 31 14.154 27.592 -14.075 1.00 0.00 H new ATOM 0 HG22 VAL A 31 12.971 27.779 -12.758 1.00 0.00 H new ATOM 0 HG23 VAL A 31 14.680 27.454 -12.381 1.00 0.00 H new ATOM 475 N VAL A 32 11.210 26.449 -10.826 1.00 0.00 N ATOM 476 CA VAL A 32 9.741 26.558 -10.666 1.00 0.00 C ATOM 477 C VAL A 32 9.268 27.983 -10.606 1.00 0.00 C ATOM 478 O VAL A 32 10.041 28.907 -10.447 1.00 0.00 O ATOM 479 CB VAL A 32 9.352 25.886 -9.366 1.00 0.00 C ATOM 480 CG1 VAL A 32 8.008 25.218 -9.544 1.00 0.00 C ATOM 481 CG2 VAL A 32 10.387 24.824 -8.998 1.00 0.00 C ATOM 0 H VAL A 32 11.769 27.179 -10.385 1.00 0.00 H new ATOM 0 HA VAL A 32 9.280 26.085 -11.533 1.00 0.00 H new ATOM 0 HB VAL A 32 9.303 26.633 -8.574 1.00 0.00 H new ATOM 0 HG11 VAL A 32 7.718 24.731 -8.613 1.00 0.00 H new ATOM 0 HG12 VAL A 32 7.262 25.967 -9.809 1.00 0.00 H new ATOM 0 HG13 VAL A 32 8.074 24.474 -10.338 1.00 0.00 H new ATOM 0 HG21 VAL A 32 10.100 24.345 -8.062 1.00 0.00 H new ATOM 0 HG22 VAL A 32 10.437 24.075 -9.788 1.00 0.00 H new ATOM 0 HG23 VAL A 32 11.364 25.293 -8.881 1.00 0.00 H new ATOM 491 N THR A 33 7.987 28.115 -10.728 1.00 0.00 N ATOM 492 CA THR A 33 7.357 29.444 -10.687 1.00 0.00 C ATOM 493 C THR A 33 6.590 29.550 -9.392 1.00 0.00 C ATOM 494 O THR A 33 5.570 28.903 -9.235 1.00 0.00 O ATOM 495 CB THR A 33 6.389 29.555 -11.862 1.00 0.00 C ATOM 496 OG1 THR A 33 7.184 29.385 -13.018 1.00 0.00 O ATOM 497 CG2 THR A 33 5.833 30.980 -11.982 1.00 0.00 C ATOM 0 H THR A 33 7.338 27.338 -10.857 1.00 0.00 H new ATOM 0 HA THR A 33 8.102 30.237 -10.750 1.00 0.00 H new ATOM 0 HB THR A 33 5.577 28.839 -11.739 1.00 0.00 H new ATOM 0 HG1 THR A 33 6.618 29.444 -13.816 1.00 0.00 H new ATOM 0 HG21 THR A 33 5.146 31.033 -12.827 1.00 0.00 H new ATOM 0 HG22 THR A 33 5.303 31.242 -11.066 1.00 0.00 H new ATOM 0 HG23 THR A 33 6.654 31.679 -12.138 1.00 0.00 H new ATOM 505 N ALA A 34 7.078 30.359 -8.479 1.00 0.00 N ATOM 506 CA ALA A 34 6.368 30.495 -7.187 1.00 0.00 C ATOM 507 C ALA A 34 5.712 31.843 -7.038 1.00 0.00 C ATOM 508 O ALA A 34 5.846 32.704 -7.884 1.00 0.00 O ATOM 509 CB ALA A 34 7.402 30.330 -6.066 1.00 0.00 C ATOM 0 H ALA A 34 7.925 30.919 -8.579 1.00 0.00 H new ATOM 0 HA ALA A 34 5.586 29.738 -7.140 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.908 30.425 -5.099 1.00 0.00 H new ATOM 0 HB2 ALA A 34 7.866 29.347 -6.141 1.00 0.00 H new ATOM 0 HB3 ALA A 34 8.167 31.101 -6.160 1.00 0.00 H new ATOM 515 N HIS A 35 5.006 31.993 -5.950 1.00 0.00 N ATOM 516 CA HIS A 35 4.314 33.266 -5.682 1.00 0.00 C ATOM 517 C HIS A 35 4.668 33.726 -4.283 1.00 0.00 C ATOM 518 O HIS A 35 5.071 32.929 -3.457 1.00 0.00 O ATOM 519 CB HIS A 35 2.799 33.034 -5.774 1.00 0.00 C ATOM 520 CG HIS A 35 2.465 32.454 -7.147 1.00 0.00 C ATOM 521 ND1 HIS A 35 2.883 31.360 -7.581 1.00 0.00 N ATOM 522 CD2 HIS A 35 1.680 32.976 -8.161 1.00 0.00 C ATOM 523 CE1 HIS A 35 2.455 31.130 -8.752 1.00 0.00 C ATOM 524 NE2 HIS A 35 1.674 32.109 -9.209 1.00 0.00 N ATOM 0 H HIS A 35 4.884 31.276 -5.235 1.00 0.00 H new ATOM 0 HA HIS A 35 4.615 34.022 -6.407 1.00 0.00 H new ATOM 0 HB2 HIS A 35 2.475 32.352 -4.988 1.00 0.00 H new ATOM 0 HB3 HIS A 35 2.265 33.972 -5.622 1.00 0.00 H new ATOM 0 HD2 HIS A 35 1.157 33.920 -8.126 1.00 0.00 H new ATOM 0 HE1 HIS A 35 2.696 30.241 -9.316 1.00 0.00 H new ATOM 0 HE2 HIS A 35 1.198 32.187 -10.108 1.00 0.00 H new ATOM 532 N ILE A 36 4.508 34.986 -4.035 1.00 0.00 N ATOM 533 CA ILE A 36 4.836 35.509 -2.689 1.00 0.00 C ATOM 534 C ILE A 36 3.586 35.687 -1.823 1.00 0.00 C ATOM 535 O ILE A 36 2.484 35.788 -2.328 1.00 0.00 O ATOM 536 CB ILE A 36 5.501 36.866 -2.893 1.00 0.00 C ATOM 537 CG1 ILE A 36 5.842 37.496 -1.560 1.00 0.00 C ATOM 538 CG2 ILE A 36 4.510 37.783 -3.627 1.00 0.00 C ATOM 539 CD1 ILE A 36 6.731 38.725 -1.802 1.00 0.00 C ATOM 0 H ILE A 36 4.165 35.677 -4.703 1.00 0.00 H new ATOM 0 HA ILE A 36 5.487 34.803 -2.173 1.00 0.00 H new ATOM 0 HB ILE A 36 6.417 36.734 -3.468 1.00 0.00 H new ATOM 0 HG12 ILE A 36 4.931 37.787 -1.037 1.00 0.00 H new ATOM 0 HG13 ILE A 36 6.359 36.777 -0.924 1.00 0.00 H new ATOM 0 HG21 ILE A 36 4.966 38.761 -3.783 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.253 37.344 -4.591 1.00 0.00 H new ATOM 0 HG23 ILE A 36 3.606 37.896 -3.028 1.00 0.00 H new ATOM 0 HD11 ILE A 36 6.982 39.186 -0.847 1.00 0.00 H new ATOM 0 HD12 ILE A 36 7.646 38.418 -2.309 1.00 0.00 H new ATOM 0 HD13 ILE A 36 6.196 39.444 -2.423 1.00 0.00 H new ATOM 551 N SER A 37 3.792 35.726 -0.527 1.00 0.00 N ATOM 552 CA SER A 37 2.651 35.895 0.405 1.00 0.00 C ATOM 553 C SER A 37 2.501 37.351 0.851 1.00 0.00 C ATOM 554 O SER A 37 2.982 38.258 0.202 1.00 0.00 O ATOM 555 CB SER A 37 2.908 35.025 1.644 1.00 0.00 C ATOM 556 OG SER A 37 1.626 34.520 1.986 1.00 0.00 O ATOM 0 H SER A 37 4.706 35.647 -0.082 1.00 0.00 H new ATOM 0 HA SER A 37 1.736 35.599 -0.108 1.00 0.00 H new ATOM 0 HB2 SER A 37 3.609 34.219 1.426 1.00 0.00 H new ATOM 0 HB3 SER A 37 3.337 35.609 2.459 1.00 0.00 H new ATOM 0 HG SER A 37 1.701 33.945 2.776 1.00 0.00 H new ATOM 562 N GLY A 38 1.821 37.538 1.959 1.00 0.00 N ATOM 563 CA GLY A 38 1.613 38.925 2.490 1.00 0.00 C ATOM 564 C GLY A 38 2.911 39.738 2.465 1.00 0.00 C ATOM 565 O GLY A 38 2.891 40.941 2.685 1.00 0.00 O ATOM 0 H GLY A 38 1.403 36.793 2.517 1.00 0.00 H new ATOM 0 HA2 GLY A 38 0.853 39.433 1.896 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.236 38.872 3.511 1.00 0.00 H new ATOM 569 N LYS A 39 4.018 39.082 2.215 1.00 0.00 N ATOM 570 CA LYS A 39 5.293 39.835 2.182 1.00 0.00 C ATOM 571 C LYS A 39 5.101 41.100 1.366 1.00 0.00 C ATOM 572 O LYS A 39 5.802 42.077 1.545 1.00 0.00 O ATOM 573 CB LYS A 39 6.373 38.966 1.527 1.00 0.00 C ATOM 574 CG LYS A 39 6.550 37.686 2.342 1.00 0.00 C ATOM 575 CD LYS A 39 7.477 37.968 3.524 1.00 0.00 C ATOM 576 CE LYS A 39 8.863 38.353 2.996 1.00 0.00 C ATOM 577 NZ LYS A 39 9.077 37.793 1.630 1.00 0.00 N ATOM 0 H LYS A 39 4.087 38.080 2.037 1.00 0.00 H new ATOM 0 HA LYS A 39 5.597 40.095 3.196 1.00 0.00 H new ATOM 0 HB2 LYS A 39 6.090 38.723 0.503 1.00 0.00 H new ATOM 0 HB3 LYS A 39 7.315 39.512 1.476 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.583 37.331 2.699 1.00 0.00 H new ATOM 0 HG3 LYS A 39 6.968 36.897 1.717 1.00 0.00 H new ATOM 0 HD2 LYS A 39 7.071 38.774 4.136 1.00 0.00 H new ATOM 0 HD3 LYS A 39 7.550 37.088 4.163 1.00 0.00 H new ATOM 0 HE2 LYS A 39 8.960 39.438 2.970 1.00 0.00 H new ATOM 0 HE3 LYS A 39 9.632 37.981 3.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 10.094 37.792 1.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 8.714 36.819 1.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 8.573 38.377 0.933 1.00 0.00 H new ATOM 591 N MET A 40 4.139 41.056 0.471 1.00 0.00 N ATOM 592 CA MET A 40 3.874 42.236 -0.365 1.00 0.00 C ATOM 593 C MET A 40 3.535 43.411 0.530 1.00 0.00 C ATOM 594 O MET A 40 4.072 44.489 0.386 1.00 0.00 O ATOM 595 CB MET A 40 2.669 41.934 -1.267 1.00 0.00 C ATOM 596 CG MET A 40 2.888 42.596 -2.627 1.00 0.00 C ATOM 597 SD MET A 40 1.430 42.872 -3.665 1.00 0.00 S ATOM 598 CE MET A 40 0.759 41.194 -3.574 1.00 0.00 C ATOM 0 H MET A 40 3.538 40.251 0.296 1.00 0.00 H new ATOM 0 HA MET A 40 4.750 42.473 -0.969 1.00 0.00 H new ATOM 0 HB2 MET A 40 2.549 40.857 -1.387 1.00 0.00 H new ATOM 0 HB3 MET A 40 1.753 42.308 -0.809 1.00 0.00 H new ATOM 0 HG2 MET A 40 3.369 43.560 -2.459 1.00 0.00 H new ATOM 0 HG3 MET A 40 3.591 41.983 -3.191 1.00 0.00 H new ATOM 0 HE1 MET A 40 -0.018 41.072 -4.328 1.00 0.00 H new ATOM 0 HE2 MET A 40 1.556 40.473 -3.755 1.00 0.00 H new ATOM 0 HE3 MET A 40 0.334 41.025 -2.584 1.00 0.00 H new ATOM 608 N ARG A 41 2.639 43.170 1.446 1.00 0.00 N ATOM 609 CA ARG A 41 2.231 44.240 2.378 1.00 0.00 C ATOM 610 C ARG A 41 3.437 44.703 3.181 1.00 0.00 C ATOM 611 O ARG A 41 3.493 45.820 3.656 1.00 0.00 O ATOM 612 CB ARG A 41 1.185 43.651 3.340 1.00 0.00 C ATOM 613 CG ARG A 41 -0.033 43.191 2.539 1.00 0.00 C ATOM 614 CD ARG A 41 -1.062 42.586 3.497 1.00 0.00 C ATOM 615 NE ARG A 41 -0.398 41.536 4.319 1.00 0.00 N ATOM 616 CZ ARG A 41 -1.130 40.658 4.947 1.00 0.00 C ATOM 617 NH1 ARG A 41 -2.233 40.243 4.388 1.00 0.00 N ATOM 618 NH2 ARG A 41 -0.733 40.224 6.113 1.00 0.00 N ATOM 0 H ARG A 41 2.174 42.273 1.584 1.00 0.00 H new ATOM 0 HA ARG A 41 1.821 45.087 1.828 1.00 0.00 H new ATOM 0 HB2 ARG A 41 1.611 42.812 3.890 1.00 0.00 H new ATOM 0 HB3 ARG A 41 0.890 44.398 4.077 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -0.469 44.033 2.001 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.264 42.455 1.792 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -1.479 43.361 4.140 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -1.892 42.157 2.936 1.00 0.00 H new ATOM 0 HE ARG A 41 0.619 41.504 4.390 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -2.510 40.605 3.475 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -2.819 39.557 4.864 1.00 0.00 H new ATOM 0 HH21 ARG A 41 0.136 40.572 6.518 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -1.292 39.537 6.619 1.00 0.00 H new ATOM 632 N LYS A 42 4.378 43.815 3.314 1.00 0.00 N ATOM 633 CA LYS A 42 5.602 44.127 4.066 1.00 0.00 C ATOM 634 C LYS A 42 6.687 44.591 3.116 1.00 0.00 C ATOM 635 O LYS A 42 7.775 44.936 3.528 1.00 0.00 O ATOM 636 CB LYS A 42 6.079 42.854 4.783 1.00 0.00 C ATOM 637 CG LYS A 42 5.098 42.511 5.906 1.00 0.00 C ATOM 638 CD LYS A 42 5.723 41.439 6.801 1.00 0.00 C ATOM 639 CE LYS A 42 4.670 40.926 7.784 1.00 0.00 C ATOM 640 NZ LYS A 42 5.312 40.120 8.859 1.00 0.00 N ATOM 0 H LYS A 42 4.342 42.873 2.924 1.00 0.00 H new ATOM 0 HA LYS A 42 5.394 44.916 4.788 1.00 0.00 H new ATOM 0 HB2 LYS A 42 6.144 42.027 4.076 1.00 0.00 H new ATOM 0 HB3 LYS A 42 7.079 43.005 5.191 1.00 0.00 H new ATOM 0 HG2 LYS A 42 4.867 43.402 6.490 1.00 0.00 H new ATOM 0 HG3 LYS A 42 4.158 42.152 5.488 1.00 0.00 H new ATOM 0 HD2 LYS A 42 6.101 40.617 6.194 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.573 41.852 7.344 1.00 0.00 H new ATOM 0 HE2 LYS A 42 4.133 41.767 8.223 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.935 40.319 7.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 4.584 39.779 9.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 5.805 39.307 8.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 5.996 40.710 9.374 1.00 0.00 H new ATOM 654 N ASN A 43 6.369 44.591 1.848 1.00 0.00 N ATOM 655 CA ASN A 43 7.371 45.026 0.855 1.00 0.00 C ATOM 656 C ASN A 43 7.772 46.458 1.096 1.00 0.00 C ATOM 657 O ASN A 43 8.599 46.997 0.386 1.00 0.00 O ATOM 658 CB ASN A 43 6.750 44.926 -0.544 1.00 0.00 C ATOM 659 CG ASN A 43 5.784 46.096 -0.756 1.00 0.00 C ATOM 660 OD1 ASN A 43 5.295 46.690 0.184 1.00 0.00 O ATOM 661 ND2 ASN A 43 5.482 46.459 -1.975 1.00 0.00 N ATOM 0 H ASN A 43 5.465 44.310 1.468 1.00 0.00 H new ATOM 0 HA ASN A 43 8.252 44.390 0.941 1.00 0.00 H new ATOM 0 HB2 ASN A 43 7.532 44.943 -1.303 1.00 0.00 H new ATOM 0 HB3 ASN A 43 6.221 43.979 -0.653 1.00 0.00 H new ATOM 0 HD21 ASN A 43 4.840 47.236 -2.131 1.00 0.00 H new ATOM 0 HD22 ASN A 43 5.888 45.965 -2.770 1.00 0.00 H new ATOM 668 N TYR A 44 7.187 47.067 2.091 1.00 0.00 N ATOM 669 CA TYR A 44 7.563 48.474 2.361 1.00 0.00 C ATOM 670 C TYR A 44 9.063 48.541 2.490 1.00 0.00 C ATOM 671 O TYR A 44 9.670 49.596 2.521 1.00 0.00 O ATOM 672 CB TYR A 44 6.911 48.933 3.677 1.00 0.00 C ATOM 673 CG TYR A 44 6.946 50.460 3.749 1.00 0.00 C ATOM 674 CD1 TYR A 44 6.346 51.220 2.766 1.00 0.00 C ATOM 675 CD2 TYR A 44 7.582 51.099 4.794 1.00 0.00 C ATOM 676 CE1 TYR A 44 6.382 52.598 2.826 1.00 0.00 C ATOM 677 CE2 TYR A 44 7.617 52.478 4.854 1.00 0.00 C ATOM 678 CZ TYR A 44 7.016 53.238 3.871 1.00 0.00 C ATOM 679 OH TYR A 44 7.047 54.615 3.933 1.00 0.00 O ATOM 0 H TYR A 44 6.485 46.662 2.710 1.00 0.00 H new ATOM 0 HA TYR A 44 7.224 49.121 1.552 1.00 0.00 H new ATOM 0 HB2 TYR A 44 5.882 48.578 3.730 1.00 0.00 H new ATOM 0 HB3 TYR A 44 7.440 48.505 4.528 1.00 0.00 H new ATOM 0 HD1 TYR A 44 5.844 50.732 1.943 1.00 0.00 H new ATOM 0 HD2 TYR A 44 8.056 50.516 5.570 1.00 0.00 H new ATOM 0 HE1 TYR A 44 5.910 53.180 2.049 1.00 0.00 H new ATOM 0 HE2 TYR A 44 8.119 52.966 5.677 1.00 0.00 H new ATOM 0 HH TYR A 44 7.534 54.895 4.736 1.00 0.00 H new ATOM 689 N ILE A 45 9.613 47.382 2.557 1.00 0.00 N ATOM 690 CA ILE A 45 11.065 47.217 2.683 1.00 0.00 C ATOM 691 C ILE A 45 11.460 45.898 2.024 1.00 0.00 C ATOM 692 O ILE A 45 12.212 45.119 2.573 1.00 0.00 O ATOM 693 CB ILE A 45 11.418 47.140 4.167 1.00 0.00 C ATOM 694 CG1 ILE A 45 10.670 48.215 4.945 1.00 0.00 C ATOM 695 CG2 ILE A 45 12.927 47.380 4.325 1.00 0.00 C ATOM 696 CD1 ILE A 45 11.014 48.085 6.429 1.00 0.00 C ATOM 0 H ILE A 45 9.093 46.505 2.528 1.00 0.00 H new ATOM 0 HA ILE A 45 11.585 48.051 2.211 1.00 0.00 H new ATOM 0 HB ILE A 45 11.138 46.159 4.552 1.00 0.00 H new ATOM 0 HG12 ILE A 45 10.945 49.204 4.580 1.00 0.00 H new ATOM 0 HG13 ILE A 45 9.595 48.108 4.797 1.00 0.00 H new ATOM 0 HG21 ILE A 45 13.195 47.328 5.380 1.00 0.00 H new ATOM 0 HG22 ILE A 45 13.476 46.617 3.773 1.00 0.00 H new ATOM 0 HG23 ILE A 45 13.182 48.365 3.934 1.00 0.00 H new ATOM 0 HD11 ILE A 45 10.483 48.851 6.994 1.00 0.00 H new ATOM 0 HD12 ILE A 45 10.717 47.099 6.786 1.00 0.00 H new ATOM 0 HD13 ILE A 45 12.088 48.212 6.566 1.00 0.00 H new ATOM 708 N ARG A 46 10.936 45.685 0.845 1.00 0.00 N ATOM 709 CA ARG A 46 11.243 44.432 0.105 1.00 0.00 C ATOM 710 C ARG A 46 12.712 44.041 0.217 1.00 0.00 C ATOM 711 O ARG A 46 13.572 44.874 0.432 1.00 0.00 O ATOM 712 CB ARG A 46 10.905 44.659 -1.375 1.00 0.00 C ATOM 713 CG ARG A 46 11.875 45.690 -1.956 1.00 0.00 C ATOM 714 CD ARG A 46 11.333 46.197 -3.294 1.00 0.00 C ATOM 715 NE ARG A 46 12.382 47.024 -3.959 1.00 0.00 N ATOM 716 CZ ARG A 46 12.480 48.293 -3.666 1.00 0.00 C ATOM 717 NH1 ARG A 46 12.763 48.636 -2.439 1.00 0.00 N ATOM 718 NH2 ARG A 46 12.295 49.178 -4.609 1.00 0.00 N ATOM 0 H ARG A 46 10.307 46.328 0.364 1.00 0.00 H new ATOM 0 HA ARG A 46 10.652 43.625 0.538 1.00 0.00 H new ATOM 0 HB2 ARG A 46 10.978 43.721 -1.926 1.00 0.00 H new ATOM 0 HB3 ARG A 46 9.878 45.009 -1.477 1.00 0.00 H new ATOM 0 HG2 ARG A 46 11.998 46.521 -1.262 1.00 0.00 H new ATOM 0 HG3 ARG A 46 12.859 45.242 -2.095 1.00 0.00 H new ATOM 0 HD2 ARG A 46 11.056 45.357 -3.931 1.00 0.00 H new ATOM 0 HD3 ARG A 46 10.431 46.788 -3.136 1.00 0.00 H new ATOM 0 HE ARG A 46 13.017 46.602 -4.637 1.00 0.00 H new ATOM 0 HH11 ARG A 46 12.903 47.918 -1.728 1.00 0.00 H new ATOM 0 HH12 ARG A 46 12.844 49.622 -2.191 1.00 0.00 H new ATOM 0 HH21 ARG A 46 12.077 48.874 -5.558 1.00 0.00 H new ATOM 0 HH22 ARG A 46 12.368 50.173 -4.396 1.00 0.00 H new ATOM 732 N ILE A 47 12.960 42.764 0.064 1.00 0.00 N ATOM 733 CA ILE A 47 14.352 42.250 0.150 1.00 0.00 C ATOM 734 C ILE A 47 14.920 41.991 -1.240 1.00 0.00 C ATOM 735 O ILE A 47 14.197 41.660 -2.158 1.00 0.00 O ATOM 736 CB ILE A 47 14.332 40.933 0.926 1.00 0.00 C ATOM 737 CG1 ILE A 47 15.757 40.451 1.163 1.00 0.00 C ATOM 738 CG2 ILE A 47 13.594 39.877 0.082 1.00 0.00 C ATOM 739 CD1 ILE A 47 16.464 41.418 2.117 1.00 0.00 C ATOM 0 H ILE A 47 12.250 42.055 -0.118 1.00 0.00 H new ATOM 0 HA ILE A 47 14.976 42.991 0.650 1.00 0.00 H new ATOM 0 HB ILE A 47 13.832 41.083 1.883 1.00 0.00 H new ATOM 0 HG12 ILE A 47 15.748 39.446 1.585 1.00 0.00 H new ATOM 0 HG13 ILE A 47 16.296 40.395 0.218 1.00 0.00 H new ATOM 0 HG21 ILE A 47 13.571 38.931 0.622 1.00 0.00 H new ATOM 0 HG22 ILE A 47 12.574 40.211 -0.108 1.00 0.00 H new ATOM 0 HG23 ILE A 47 14.114 39.741 -0.866 1.00 0.00 H new ATOM 0 HD11 ILE A 47 17.485 41.077 2.290 1.00 0.00 H new ATOM 0 HD12 ILE A 47 16.484 42.415 1.676 1.00 0.00 H new ATOM 0 HD13 ILE A 47 15.927 41.451 3.065 1.00 0.00 H new ATOM 751 N LEU A 48 16.209 42.149 -1.372 1.00 0.00 N ATOM 752 CA LEU A 48 16.839 41.916 -2.692 1.00 0.00 C ATOM 753 C LEU A 48 16.536 40.512 -3.211 1.00 0.00 C ATOM 754 O LEU A 48 16.066 39.659 -2.483 1.00 0.00 O ATOM 755 CB LEU A 48 18.361 42.066 -2.533 1.00 0.00 C ATOM 756 CG LEU A 48 18.701 43.544 -2.315 1.00 0.00 C ATOM 757 CD1 LEU A 48 20.182 43.674 -1.954 1.00 0.00 C ATOM 758 CD2 LEU A 48 18.428 44.322 -3.604 1.00 0.00 C ATOM 0 H LEU A 48 16.845 42.428 -0.625 1.00 0.00 H new ATOM 0 HA LEU A 48 16.441 42.639 -3.404 1.00 0.00 H new ATOM 0 HB2 LEU A 48 18.711 41.472 -1.689 1.00 0.00 H new ATOM 0 HB3 LEU A 48 18.870 41.690 -3.420 1.00 0.00 H new ATOM 0 HG LEU A 48 18.088 43.944 -1.507 1.00 0.00 H new ATOM 0 HD11 LEU A 48 20.428 44.724 -1.798 1.00 0.00 H new ATOM 0 HD12 LEU A 48 20.384 43.115 -1.041 1.00 0.00 H new ATOM 0 HD13 LEU A 48 20.791 43.276 -2.766 1.00 0.00 H new ATOM 0 HD21 LEU A 48 18.669 45.374 -3.452 1.00 0.00 H new ATOM 0 HD22 LEU A 48 19.045 43.921 -4.408 1.00 0.00 H new ATOM 0 HD23 LEU A 48 17.376 44.226 -3.871 1.00 0.00 H new ATOM 770 N THR A 49 16.817 40.310 -4.466 1.00 0.00 N ATOM 771 CA THR A 49 16.566 38.984 -5.091 1.00 0.00 C ATOM 772 C THR A 49 17.423 37.900 -4.496 1.00 0.00 C ATOM 773 O THR A 49 18.523 38.113 -4.027 1.00 0.00 O ATOM 774 CB THR A 49 16.881 39.095 -6.579 1.00 0.00 C ATOM 775 OG1 THR A 49 16.515 37.850 -7.132 1.00 0.00 O ATOM 776 CG2 THR A 49 18.396 39.189 -6.811 1.00 0.00 C ATOM 0 H THR A 49 17.213 41.012 -5.091 1.00 0.00 H new ATOM 0 HA THR A 49 15.524 38.715 -4.915 1.00 0.00 H new ATOM 0 HB THR A 49 16.375 39.964 -6.999 1.00 0.00 H new ATOM 0 HG1 THR A 49 15.673 37.549 -6.731 1.00 0.00 H new ATOM 0 HG21 THR A 49 18.596 39.267 -7.880 1.00 0.00 H new ATOM 0 HG22 THR A 49 18.788 40.070 -6.303 1.00 0.00 H new ATOM 0 HG23 THR A 49 18.881 38.296 -6.416 1.00 0.00 H new ATOM 784 N GLY A 50 16.866 36.765 -4.552 1.00 0.00 N ATOM 785 CA GLY A 50 17.491 35.548 -4.040 1.00 0.00 C ATOM 786 C GLY A 50 17.185 35.394 -2.589 1.00 0.00 C ATOM 787 O GLY A 50 17.979 35.711 -1.726 1.00 0.00 O ATOM 0 H GLY A 50 15.942 36.614 -4.957 1.00 0.00 H new ATOM 0 HA2 GLY A 50 17.126 34.681 -4.592 1.00 0.00 H new ATOM 0 HA3 GLY A 50 18.570 35.591 -4.191 1.00 0.00 H new ATOM 791 N ASP A 51 16.020 34.899 -2.366 1.00 0.00 N ATOM 792 CA ASP A 51 15.555 34.667 -1.017 1.00 0.00 C ATOM 793 C ASP A 51 15.584 33.197 -0.812 1.00 0.00 C ATOM 794 O ASP A 51 14.944 32.493 -1.573 1.00 0.00 O ATOM 795 CB ASP A 51 14.111 35.173 -0.877 1.00 0.00 C ATOM 796 CG ASP A 51 14.118 36.556 -0.226 1.00 0.00 C ATOM 797 OD1 ASP A 51 14.995 37.320 -0.589 1.00 0.00 O ATOM 798 OD2 ASP A 51 13.243 36.769 0.597 1.00 0.00 O ATOM 0 H ASP A 51 15.356 34.640 -3.096 1.00 0.00 H new ATOM 0 HA ASP A 51 16.176 35.186 -0.287 1.00 0.00 H new ATOM 0 HB2 ASP A 51 13.635 35.222 -1.856 1.00 0.00 H new ATOM 0 HB3 ASP A 51 13.527 34.478 -0.273 1.00 0.00 H new ATOM 803 N LYS A 52 16.298 32.698 0.134 1.00 0.00 N ATOM 804 CA LYS A 52 16.256 31.242 0.257 1.00 0.00 C ATOM 805 C LYS A 52 14.929 30.925 0.905 1.00 0.00 C ATOM 806 O LYS A 52 14.705 31.309 2.036 1.00 0.00 O ATOM 807 CB LYS A 52 17.406 30.754 1.150 1.00 0.00 C ATOM 808 CG LYS A 52 18.280 29.780 0.359 1.00 0.00 C ATOM 809 CD LYS A 52 19.270 30.577 -0.485 1.00 0.00 C ATOM 810 CE LYS A 52 20.382 31.105 0.422 1.00 0.00 C ATOM 811 NZ LYS A 52 21.660 30.398 0.139 1.00 0.00 N ATOM 0 H LYS A 52 16.882 33.207 0.798 1.00 0.00 H new ATOM 0 HA LYS A 52 16.362 30.753 -0.711 1.00 0.00 H new ATOM 0 HB2 LYS A 52 18.002 31.601 1.491 1.00 0.00 H new ATOM 0 HB3 LYS A 52 17.009 30.265 2.039 1.00 0.00 H new ATOM 0 HG2 LYS A 52 18.814 29.115 1.038 1.00 0.00 H new ATOM 0 HG3 LYS A 52 17.660 29.151 -0.280 1.00 0.00 H new ATOM 0 HD2 LYS A 52 19.690 29.947 -1.269 1.00 0.00 H new ATOM 0 HD3 LYS A 52 18.762 31.405 -0.980 1.00 0.00 H new ATOM 0 HE2 LYS A 52 20.509 32.176 0.266 1.00 0.00 H new ATOM 0 HE3 LYS A 52 20.105 30.965 1.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 22.406 30.767 0.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 21.538 29.379 0.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 21.930 30.553 -0.853 1.00 0.00 H new ATOM 825 N VAL A 53 14.059 30.243 0.196 1.00 0.00 N ATOM 826 CA VAL A 53 12.736 29.929 0.814 1.00 0.00 C ATOM 827 C VAL A 53 12.279 28.517 0.623 1.00 0.00 C ATOM 828 O VAL A 53 12.891 27.739 -0.079 1.00 0.00 O ATOM 829 CB VAL A 53 11.707 30.838 0.147 1.00 0.00 C ATOM 830 CG1 VAL A 53 12.201 32.281 0.198 1.00 0.00 C ATOM 831 CG2 VAL A 53 11.564 30.419 -1.316 1.00 0.00 C ATOM 0 H VAL A 53 14.202 29.901 -0.754 1.00 0.00 H new ATOM 0 HA VAL A 53 12.839 30.080 1.889 1.00 0.00 H new ATOM 0 HB VAL A 53 10.750 30.758 0.662 1.00 0.00 H new ATOM 0 HG11 VAL A 53 11.469 32.933 -0.278 1.00 0.00 H new ATOM 0 HG12 VAL A 53 12.336 32.583 1.237 1.00 0.00 H new ATOM 0 HG13 VAL A 53 13.152 32.359 -0.329 1.00 0.00 H new ATOM 0 HG21 VAL A 53 10.832 31.059 -1.808 1.00 0.00 H new ATOM 0 HG22 VAL A 53 12.527 30.516 -1.818 1.00 0.00 H new ATOM 0 HG23 VAL A 53 11.232 29.382 -1.367 1.00 0.00 H new ATOM 841 N ARG A 54 11.172 28.208 1.278 1.00 0.00 N ATOM 842 CA ARG A 54 10.624 26.848 1.165 1.00 0.00 C ATOM 843 C ARG A 54 9.573 26.833 0.084 1.00 0.00 C ATOM 844 O ARG A 54 8.584 27.536 0.172 1.00 0.00 O ATOM 845 CB ARG A 54 9.983 26.449 2.497 1.00 0.00 C ATOM 846 CG ARG A 54 9.602 24.971 2.435 1.00 0.00 C ATOM 847 CD ARG A 54 9.119 24.516 3.813 1.00 0.00 C ATOM 848 NE ARG A 54 7.667 24.827 3.948 1.00 0.00 N ATOM 849 CZ ARG A 54 6.951 24.164 4.814 1.00 0.00 C ATOM 850 NH1 ARG A 54 6.910 24.582 6.050 1.00 0.00 N ATOM 851 NH2 ARG A 54 6.302 23.103 4.417 1.00 0.00 N ATOM 0 H ARG A 54 10.645 28.846 1.874 1.00 0.00 H new ATOM 0 HA ARG A 54 11.421 26.146 0.919 1.00 0.00 H new ATOM 0 HB2 ARG A 54 10.677 26.626 3.318 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.100 27.059 2.689 1.00 0.00 H new ATOM 0 HG2 ARG A 54 8.819 24.816 1.693 1.00 0.00 H new ATOM 0 HG3 ARG A 54 10.460 24.375 2.122 1.00 0.00 H new ATOM 0 HD2 ARG A 54 9.287 23.446 3.936 1.00 0.00 H new ATOM 0 HD3 ARG A 54 9.686 25.020 4.596 1.00 0.00 H new ATOM 0 HE ARG A 54 7.238 25.550 3.370 1.00 0.00 H new ATOM 0 HH11 ARG A 54 7.432 25.414 6.325 1.00 0.00 H new ATOM 0 HH12 ARG A 54 6.356 24.077 6.741 1.00 0.00 H new ATOM 0 HH21 ARG A 54 6.360 22.805 3.443 1.00 0.00 H new ATOM 0 HH22 ARG A 54 5.737 22.573 5.080 1.00 0.00 H new ATOM 865 N VAL A 55 9.799 26.034 -0.916 1.00 0.00 N ATOM 866 CA VAL A 55 8.827 25.958 -2.017 1.00 0.00 C ATOM 867 C VAL A 55 7.959 24.726 -1.912 1.00 0.00 C ATOM 868 O VAL A 55 8.450 23.615 -1.921 1.00 0.00 O ATOM 869 CB VAL A 55 9.607 25.877 -3.334 1.00 0.00 C ATOM 870 CG1 VAL A 55 8.769 26.493 -4.458 1.00 0.00 C ATOM 871 CG2 VAL A 55 10.916 26.656 -3.196 1.00 0.00 C ATOM 0 H VAL A 55 10.617 25.433 -1.012 1.00 0.00 H new ATOM 0 HA VAL A 55 8.185 26.838 -1.973 1.00 0.00 H new ATOM 0 HB VAL A 55 9.823 24.834 -3.567 1.00 0.00 H new ATOM 0 HG11 VAL A 55 9.321 26.437 -5.396 1.00 0.00 H new ATOM 0 HG12 VAL A 55 7.832 25.945 -4.555 1.00 0.00 H new ATOM 0 HG13 VAL A 55 8.557 27.536 -4.224 1.00 0.00 H new ATOM 0 HG21 VAL A 55 11.473 26.600 -4.131 1.00 0.00 H new ATOM 0 HG22 VAL A 55 10.696 27.699 -2.966 1.00 0.00 H new ATOM 0 HG23 VAL A 55 11.513 26.225 -2.392 1.00 0.00 H new ATOM 881 N GLU A 56 6.679 24.947 -1.819 1.00 0.00 N ATOM 882 CA GLU A 56 5.753 23.815 -1.716 1.00 0.00 C ATOM 883 C GLU A 56 5.202 23.525 -3.092 1.00 0.00 C ATOM 884 O GLU A 56 4.646 24.397 -3.731 1.00 0.00 O ATOM 885 CB GLU A 56 4.611 24.210 -0.773 1.00 0.00 C ATOM 886 CG GLU A 56 5.189 24.445 0.627 1.00 0.00 C ATOM 887 CD GLU A 56 4.066 24.357 1.660 1.00 0.00 C ATOM 888 OE1 GLU A 56 3.109 25.090 1.480 1.00 0.00 O ATOM 889 OE2 GLU A 56 4.229 23.562 2.570 1.00 0.00 O ATOM 0 H GLU A 56 6.244 25.870 -1.811 1.00 0.00 H new ATOM 0 HA GLU A 56 6.258 22.930 -1.329 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.117 25.112 -1.134 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.856 23.424 -0.743 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.957 23.703 0.845 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.667 25.423 0.676 1.00 0.00 H new ATOM 896 N LEU A 57 5.354 22.313 -3.528 1.00 0.00 N ATOM 897 CA LEU A 57 4.843 21.962 -4.866 1.00 0.00 C ATOM 898 C LEU A 57 3.460 21.366 -4.770 1.00 0.00 C ATOM 899 O LEU A 57 3.102 20.796 -3.753 1.00 0.00 O ATOM 900 CB LEU A 57 5.786 20.922 -5.485 1.00 0.00 C ATOM 901 CG LEU A 57 7.235 21.394 -5.340 1.00 0.00 C ATOM 902 CD1 LEU A 57 8.161 20.182 -5.429 1.00 0.00 C ATOM 903 CD2 LEU A 57 7.566 22.367 -6.472 1.00 0.00 C ATOM 0 H LEU A 57 5.808 21.556 -3.017 1.00 0.00 H new ATOM 0 HA LEU A 57 4.795 22.863 -5.478 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.655 19.959 -4.992 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.543 20.777 -6.538 1.00 0.00 H new ATOM 0 HG LEU A 57 7.368 21.894 -4.380 1.00 0.00 H new ATOM 0 HD11 LEU A 57 9.196 20.507 -5.327 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.920 19.481 -4.630 1.00 0.00 H new ATOM 0 HD13 LEU A 57 8.028 19.692 -6.394 1.00 0.00 H new ATOM 0 HD21 LEU A 57 8.597 22.705 -6.371 1.00 0.00 H new ATOM 0 HD22 LEU A 57 7.441 21.865 -7.431 1.00 0.00 H new ATOM 0 HD23 LEU A 57 6.896 23.226 -6.421 1.00 0.00 H new ATOM 915 N THR A 58 2.702 21.500 -5.838 1.00 0.00 N ATOM 916 CA THR A 58 1.320 20.944 -5.830 1.00 0.00 C ATOM 917 C THR A 58 1.111 19.922 -6.960 1.00 0.00 C ATOM 918 O THR A 58 1.702 20.031 -8.016 1.00 0.00 O ATOM 919 CB THR A 58 0.361 22.112 -6.036 1.00 0.00 C ATOM 920 OG1 THR A 58 0.485 22.460 -7.400 1.00 0.00 O ATOM 921 CG2 THR A 58 0.857 23.351 -5.270 1.00 0.00 C ATOM 0 H THR A 58 2.982 21.965 -6.701 1.00 0.00 H new ATOM 0 HA THR A 58 1.144 20.431 -4.884 1.00 0.00 H new ATOM 0 HB THR A 58 -0.643 21.836 -5.715 1.00 0.00 H new ATOM 0 HG1 THR A 58 -0.112 23.211 -7.602 1.00 0.00 H new ATOM 0 HG21 THR A 58 0.163 24.177 -5.426 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.915 23.122 -4.206 1.00 0.00 H new ATOM 0 HG23 THR A 58 1.845 23.633 -5.635 1.00 0.00 H new ATOM 929 N PRO A 59 0.254 18.935 -6.704 1.00 0.00 N ATOM 930 CA PRO A 59 -0.039 17.896 -7.690 1.00 0.00 C ATOM 931 C PRO A 59 -0.553 18.493 -8.997 1.00 0.00 C ATOM 932 O PRO A 59 -0.504 17.858 -10.032 1.00 0.00 O ATOM 933 CB PRO A 59 -1.149 17.035 -7.046 1.00 0.00 C ATOM 934 CG PRO A 59 -1.447 17.637 -5.639 1.00 0.00 C ATOM 935 CD PRO A 59 -0.467 18.802 -5.427 1.00 0.00 C ATOM 0 HA PRO A 59 0.857 17.325 -7.936 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -2.047 17.041 -7.664 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -0.828 15.997 -6.959 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -2.478 17.986 -5.580 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -1.321 16.882 -4.863 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -0.996 19.721 -5.176 1.00 0.00 H new ATOM 0 HD3 PRO A 59 0.220 18.595 -4.606 1.00 0.00 H new ATOM 943 N TYR A 60 -1.037 19.705 -8.930 1.00 0.00 N ATOM 944 CA TYR A 60 -1.553 20.348 -10.163 1.00 0.00 C ATOM 945 C TYR A 60 -0.425 20.537 -11.158 1.00 0.00 C ATOM 946 O TYR A 60 -0.643 20.574 -12.352 1.00 0.00 O ATOM 947 CB TYR A 60 -2.126 21.725 -9.792 1.00 0.00 C ATOM 948 CG TYR A 60 -2.216 22.596 -11.050 1.00 0.00 C ATOM 949 CD1 TYR A 60 -3.255 22.433 -11.942 1.00 0.00 C ATOM 950 CD2 TYR A 60 -1.263 23.560 -11.303 1.00 0.00 C ATOM 951 CE1 TYR A 60 -3.340 23.222 -13.072 1.00 0.00 C ATOM 952 CE2 TYR A 60 -1.347 24.349 -12.433 1.00 0.00 C ATOM 953 CZ TYR A 60 -2.386 24.185 -13.326 1.00 0.00 C ATOM 954 OH TYR A 60 -2.469 24.975 -14.455 1.00 0.00 O ATOM 0 H TYR A 60 -1.095 20.269 -8.082 1.00 0.00 H new ATOM 0 HA TYR A 60 -2.323 19.719 -10.609 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -3.113 21.611 -9.344 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -1.492 22.206 -9.048 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -4.008 21.682 -11.755 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -0.445 23.699 -10.612 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -4.159 23.084 -13.762 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -0.594 25.100 -12.619 1.00 0.00 H new ATOM 0 HH TYR A 60 -1.714 25.600 -14.473 1.00 0.00 H new ATOM 964 N ASP A 61 0.769 20.650 -10.642 1.00 0.00 N ATOM 965 CA ASP A 61 1.938 20.838 -11.532 1.00 0.00 C ATOM 966 C ASP A 61 3.164 21.263 -10.736 1.00 0.00 C ATOM 967 O ASP A 61 3.347 22.430 -10.450 1.00 0.00 O ATOM 968 CB ASP A 61 1.604 21.936 -12.553 1.00 0.00 C ATOM 969 CG ASP A 61 1.323 21.290 -13.911 1.00 0.00 C ATOM 970 OD1 ASP A 61 2.087 20.399 -14.254 1.00 0.00 O ATOM 971 OD2 ASP A 61 0.361 21.717 -14.525 1.00 0.00 O ATOM 0 H ASP A 61 0.980 20.620 -9.645 1.00 0.00 H new ATOM 0 HA ASP A 61 2.157 19.894 -12.032 1.00 0.00 H new ATOM 0 HB2 ASP A 61 0.736 22.506 -12.221 1.00 0.00 H new ATOM 0 HB3 ASP A 61 2.434 22.638 -12.635 1.00 0.00 H new ATOM 976 N LEU A 62 3.981 20.307 -10.385 1.00 0.00 N ATOM 977 CA LEU A 62 5.195 20.639 -9.611 1.00 0.00 C ATOM 978 C LEU A 62 5.879 21.863 -10.190 1.00 0.00 C ATOM 979 O LEU A 62 6.484 22.633 -9.474 1.00 0.00 O ATOM 980 CB LEU A 62 6.153 19.442 -9.670 1.00 0.00 C ATOM 981 CG LEU A 62 5.397 18.189 -9.220 1.00 0.00 C ATOM 982 CD1 LEU A 62 4.577 17.628 -10.387 1.00 0.00 C ATOM 983 CD2 LEU A 62 6.401 17.134 -8.751 1.00 0.00 C ATOM 0 H LEU A 62 3.856 19.318 -10.602 1.00 0.00 H new ATOM 0 HA LEU A 62 4.918 20.855 -8.579 1.00 0.00 H new ATOM 0 HB2 LEU A 62 6.533 19.311 -10.683 1.00 0.00 H new ATOM 0 HB3 LEU A 62 7.015 19.615 -9.026 1.00 0.00 H new ATOM 0 HG LEU A 62 4.725 18.448 -8.402 1.00 0.00 H new ATOM 0 HD11 LEU A 62 4.042 16.737 -10.060 1.00 0.00 H new ATOM 0 HD12 LEU A 62 3.861 18.378 -10.723 1.00 0.00 H new ATOM 0 HD13 LEU A 62 5.244 17.369 -11.209 1.00 0.00 H new ATOM 0 HD21 LEU A 62 5.866 16.240 -8.430 1.00 0.00 H new ATOM 0 HD22 LEU A 62 7.072 16.880 -9.572 1.00 0.00 H new ATOM 0 HD23 LEU A 62 6.981 17.529 -7.917 1.00 0.00 H new ATOM 995 N SER A 63 5.777 22.023 -11.481 1.00 0.00 N ATOM 996 CA SER A 63 6.419 23.200 -12.106 1.00 0.00 C ATOM 997 C SER A 63 5.872 24.461 -11.470 1.00 0.00 C ATOM 998 O SER A 63 6.285 25.557 -11.791 1.00 0.00 O ATOM 999 CB SER A 63 6.081 23.209 -13.604 1.00 0.00 C ATOM 1000 OG SER A 63 6.192 21.847 -13.993 1.00 0.00 O ATOM 0 H SER A 63 5.283 21.397 -12.117 1.00 0.00 H new ATOM 0 HA SER A 63 7.499 23.155 -11.965 1.00 0.00 H new ATOM 0 HB2 SER A 63 5.077 23.594 -13.784 1.00 0.00 H new ATOM 0 HB3 SER A 63 6.770 23.841 -14.164 1.00 0.00 H new ATOM 0 HG SER A 63 5.988 21.762 -14.948 1.00 0.00 H new ATOM 1006 N LYS A 64 4.926 24.267 -10.581 1.00 0.00 N ATOM 1007 CA LYS A 64 4.307 25.414 -9.882 1.00 0.00 C ATOM 1008 C LYS A 64 4.262 25.151 -8.381 1.00 0.00 C ATOM 1009 O LYS A 64 4.044 24.023 -7.933 1.00 0.00 O ATOM 1010 CB LYS A 64 2.869 25.577 -10.396 1.00 0.00 C ATOM 1011 CG LYS A 64 2.880 25.634 -11.931 1.00 0.00 C ATOM 1012 CD LYS A 64 3.126 27.071 -12.409 1.00 0.00 C ATOM 1013 CE LYS A 64 2.209 27.364 -13.604 1.00 0.00 C ATOM 1014 NZ LYS A 64 2.860 28.321 -14.538 1.00 0.00 N ATOM 0 H LYS A 64 4.561 23.353 -10.315 1.00 0.00 H new ATOM 0 HA LYS A 64 4.892 26.314 -10.071 1.00 0.00 H new ATOM 0 HB2 LYS A 64 2.253 24.744 -10.056 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.427 26.487 -9.990 1.00 0.00 H new ATOM 0 HG2 LYS A 64 3.657 24.976 -12.321 1.00 0.00 H new ATOM 0 HG3 LYS A 64 1.929 25.271 -12.322 1.00 0.00 H new ATOM 0 HD2 LYS A 64 2.928 27.776 -11.601 1.00 0.00 H new ATOM 0 HD3 LYS A 64 4.170 27.199 -12.695 1.00 0.00 H new ATOM 0 HE2 LYS A 64 1.977 26.437 -14.128 1.00 0.00 H new ATOM 0 HE3 LYS A 64 1.264 27.777 -13.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 2.226 28.508 -15.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 3.059 29.212 -14.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 3.750 27.913 -14.888 1.00 0.00 H new ATOM 1028 N GLY A 65 4.450 26.194 -7.633 1.00 0.00 N ATOM 1029 CA GLY A 65 4.430 26.061 -6.163 1.00 0.00 C ATOM 1030 C GLY A 65 4.321 27.441 -5.547 1.00 0.00 C ATOM 1031 O GLY A 65 4.048 28.390 -6.234 1.00 0.00 O ATOM 0 H GLY A 65 4.618 27.138 -7.981 1.00 0.00 H new ATOM 0 HA2 GLY A 65 3.589 25.442 -5.852 1.00 0.00 H new ATOM 0 HA3 GLY A 65 5.336 25.564 -5.817 1.00 0.00 H new ATOM 1035 N ARG A 66 4.459 27.512 -4.260 1.00 0.00 N ATOM 1036 CA ARG A 66 4.369 28.846 -3.584 1.00 0.00 C ATOM 1037 C ARG A 66 5.494 28.990 -2.560 1.00 0.00 C ATOM 1038 O ARG A 66 6.134 28.015 -2.216 1.00 0.00 O ATOM 1039 CB ARG A 66 3.014 28.949 -2.861 1.00 0.00 C ATOM 1040 CG ARG A 66 2.311 27.591 -2.899 1.00 0.00 C ATOM 1041 CD ARG A 66 0.896 27.751 -2.347 1.00 0.00 C ATOM 1042 NE ARG A 66 0.169 26.462 -2.499 1.00 0.00 N ATOM 1043 CZ ARG A 66 -1.077 26.478 -2.872 1.00 0.00 C ATOM 1044 NH1 ARG A 66 -1.926 27.195 -2.190 1.00 0.00 N ATOM 1045 NH2 ARG A 66 -1.434 25.782 -3.915 1.00 0.00 N ATOM 0 H ARG A 66 4.629 26.718 -3.643 1.00 0.00 H new ATOM 0 HA ARG A 66 4.460 29.636 -4.330 1.00 0.00 H new ATOM 0 HB2 ARG A 66 3.164 29.264 -1.828 1.00 0.00 H new ATOM 0 HB3 ARG A 66 2.392 29.706 -3.338 1.00 0.00 H new ATOM 0 HG2 ARG A 66 2.277 27.213 -3.921 1.00 0.00 H new ATOM 0 HG3 ARG A 66 2.866 26.862 -2.308 1.00 0.00 H new ATOM 0 HD2 ARG A 66 0.932 28.042 -1.297 1.00 0.00 H new ATOM 0 HD3 ARG A 66 0.371 28.544 -2.880 1.00 0.00 H new ATOM 0 HE ARG A 66 0.641 25.577 -2.313 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -1.608 27.729 -1.381 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -2.908 27.222 -2.465 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -0.740 25.236 -4.425 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -2.407 25.784 -4.221 1.00 0.00 H new ATOM 1059 N ILE A 67 5.717 30.203 -2.081 1.00 0.00 N ATOM 1060 CA ILE A 67 6.808 30.400 -1.077 1.00 0.00 C ATOM 1061 C ILE A 67 6.246 30.569 0.329 1.00 0.00 C ATOM 1062 O ILE A 67 5.289 31.291 0.532 1.00 0.00 O ATOM 1063 CB ILE A 67 7.559 31.668 -1.457 1.00 0.00 C ATOM 1064 CG1 ILE A 67 8.401 31.403 -2.699 1.00 0.00 C ATOM 1065 CG2 ILE A 67 8.487 32.057 -0.294 1.00 0.00 C ATOM 1066 CD1 ILE A 67 8.880 32.734 -3.292 1.00 0.00 C ATOM 0 H ILE A 67 5.199 31.043 -2.340 1.00 0.00 H new ATOM 0 HA ILE A 67 7.459 29.526 -1.079 1.00 0.00 H new ATOM 0 HB ILE A 67 6.852 32.472 -1.661 1.00 0.00 H new ATOM 0 HG12 ILE A 67 9.257 30.779 -2.443 1.00 0.00 H new ATOM 0 HG13 ILE A 67 7.815 30.855 -3.437 1.00 0.00 H new ATOM 0 HG21 ILE A 67 9.032 32.965 -0.552 1.00 0.00 H new ATOM 0 HG22 ILE A 67 7.893 32.233 0.603 1.00 0.00 H new ATOM 0 HG23 ILE A 67 9.195 31.249 -0.107 1.00 0.00 H new ATOM 0 HD11 ILE A 67 9.482 32.541 -4.180 1.00 0.00 H new ATOM 0 HD12 ILE A 67 8.018 33.343 -3.563 1.00 0.00 H new ATOM 0 HD13 ILE A 67 9.481 33.265 -2.554 1.00 0.00 H new ATOM 1078 N THR A 68 6.851 29.894 1.292 1.00 0.00 N ATOM 1079 CA THR A 68 6.363 30.015 2.648 1.00 0.00 C ATOM 1080 C THR A 68 7.414 29.508 3.626 1.00 0.00 C ATOM 1081 O THR A 68 7.428 28.357 3.998 1.00 0.00 O ATOM 1082 CB THR A 68 5.078 29.174 2.782 1.00 0.00 C ATOM 1083 OG1 THR A 68 5.055 28.723 4.121 1.00 0.00 O ATOM 1084 CG2 THR A 68 5.167 27.889 1.939 1.00 0.00 C ATOM 0 H THR A 68 7.654 29.277 1.165 1.00 0.00 H new ATOM 0 HA THR A 68 6.152 31.060 2.874 1.00 0.00 H new ATOM 0 HB THR A 68 4.219 29.771 2.475 1.00 0.00 H new ATOM 0 HG1 THR A 68 5.699 27.993 4.231 1.00 0.00 H new ATOM 0 HG21 THR A 68 4.247 27.315 2.052 1.00 0.00 H new ATOM 0 HG22 THR A 68 5.304 28.151 0.890 1.00 0.00 H new ATOM 0 HG23 THR A 68 6.012 27.290 2.277 1.00 0.00 H new ATOM 1092 N TYR A 69 8.262 30.427 3.966 1.00 0.00 N ATOM 1093 CA TYR A 69 9.417 30.208 4.939 1.00 0.00 C ATOM 1094 C TYR A 69 10.710 30.638 4.277 1.00 0.00 C ATOM 1095 O TYR A 69 11.342 29.860 3.605 1.00 0.00 O ATOM 1096 CB TYR A 69 9.542 28.731 5.372 1.00 0.00 C ATOM 1097 CG TYR A 69 10.754 28.587 6.297 1.00 0.00 C ATOM 1098 CD1 TYR A 69 10.651 28.902 7.637 1.00 0.00 C ATOM 1099 CD2 TYR A 69 11.965 28.147 5.805 1.00 0.00 C ATOM 1100 CE1 TYR A 69 11.741 28.781 8.473 1.00 0.00 C ATOM 1101 CE2 TYR A 69 13.059 28.024 6.643 1.00 0.00 C ATOM 1102 CZ TYR A 69 12.954 28.341 7.983 1.00 0.00 C ATOM 1103 OH TYR A 69 14.045 28.220 8.823 1.00 0.00 O ATOM 0 H TYR A 69 8.218 31.379 3.602 1.00 0.00 H new ATOM 0 HA TYR A 69 9.218 30.802 5.831 1.00 0.00 H new ATOM 0 HB2 TYR A 69 8.636 28.411 5.886 1.00 0.00 H new ATOM 0 HB3 TYR A 69 9.657 28.090 4.498 1.00 0.00 H new ATOM 0 HD1 TYR A 69 9.708 29.247 8.034 1.00 0.00 H new ATOM 0 HD2 TYR A 69 12.060 27.897 4.759 1.00 0.00 H new ATOM 0 HE1 TYR A 69 11.645 29.032 9.519 1.00 0.00 H new ATOM 0 HE2 TYR A 69 14.002 27.678 6.246 1.00 0.00 H new ATOM 0 HH TYR A 69 14.816 27.896 8.313 1.00 0.00 H new ATOM 1113 N ARG A 70 11.091 31.883 4.505 1.00 0.00 N ATOM 1114 CA ARG A 70 12.337 32.400 3.899 1.00 0.00 C ATOM 1115 C ARG A 70 13.492 32.430 4.868 1.00 0.00 C ATOM 1116 O ARG A 70 13.312 32.460 6.069 1.00 0.00 O ATOM 1117 CB ARG A 70 12.078 33.825 3.404 1.00 0.00 C ATOM 1118 CG ARG A 70 11.542 34.651 4.560 1.00 0.00 C ATOM 1119 CD ARG A 70 10.026 34.781 4.415 1.00 0.00 C ATOM 1120 NE ARG A 70 9.488 35.496 5.602 1.00 0.00 N ATOM 1121 CZ ARG A 70 8.937 34.810 6.563 1.00 0.00 C ATOM 1122 NH1 ARG A 70 7.861 34.118 6.307 1.00 0.00 N ATOM 1123 NH2 ARG A 70 9.482 34.835 7.748 1.00 0.00 N ATOM 0 H ARG A 70 10.582 32.550 5.086 1.00 0.00 H new ATOM 0 HA ARG A 70 12.611 31.729 3.085 1.00 0.00 H new ATOM 0 HB2 ARG A 70 12.998 34.265 3.020 1.00 0.00 H new ATOM 0 HB3 ARG A 70 11.362 33.815 2.582 1.00 0.00 H new ATOM 0 HG2 ARG A 70 11.790 34.176 5.509 1.00 0.00 H new ATOM 0 HG3 ARG A 70 12.006 35.637 4.566 1.00 0.00 H new ATOM 0 HD2 ARG A 70 9.780 35.326 3.503 1.00 0.00 H new ATOM 0 HD3 ARG A 70 9.570 33.795 4.330 1.00 0.00 H new ATOM 0 HE ARG A 70 9.549 36.512 5.664 1.00 0.00 H new ATOM 0 HH11 ARG A 70 7.465 34.120 5.367 1.00 0.00 H new ATOM 0 HH12 ARG A 70 7.416 33.575 7.047 1.00 0.00 H new ATOM 0 HH21 ARG A 70 10.325 35.385 7.910 1.00 0.00 H new ATOM 0 HH22 ARG A 70 9.065 34.304 8.513 1.00 0.00 H new ATOM 1137 N ALA A 71 14.672 32.413 4.312 1.00 0.00 N ATOM 1138 CA ALA A 71 15.877 32.437 5.141 1.00 0.00 C ATOM 1139 C ALA A 71 16.957 33.304 4.490 1.00 0.00 C ATOM 1140 O ALA A 71 17.103 33.321 3.272 1.00 0.00 O ATOM 1141 CB ALA A 71 16.389 31.002 5.271 1.00 0.00 C ATOM 0 H ALA A 71 14.839 32.383 3.306 1.00 0.00 H new ATOM 0 HA ALA A 71 15.643 32.856 6.120 1.00 0.00 H new ATOM 0 HB1 ALA A 71 17.289 30.991 5.886 1.00 0.00 H new ATOM 0 HB2 ALA A 71 15.623 30.383 5.738 1.00 0.00 H new ATOM 0 HB3 ALA A 71 16.621 30.607 4.282 1.00 0.00 H new ATOM 1147 N ARG A 72 17.691 34.010 5.313 1.00 0.00 N ATOM 1148 CA ARG A 72 18.765 34.885 4.781 1.00 0.00 C ATOM 1149 C ARG A 72 20.121 34.184 4.839 1.00 0.00 C ATOM 1150 O ARG A 72 20.344 33.517 5.836 1.00 0.00 O ATOM 1151 CB ARG A 72 18.821 36.146 5.659 1.00 0.00 C ATOM 1152 CG ARG A 72 19.690 37.208 4.984 1.00 0.00 C ATOM 1153 CD ARG A 72 19.975 38.330 5.988 1.00 0.00 C ATOM 1154 NE ARG A 72 18.681 38.894 6.470 1.00 0.00 N ATOM 1155 CZ ARG A 72 18.685 39.973 7.209 1.00 0.00 C ATOM 1156 NH1 ARG A 72 18.645 41.140 6.624 1.00 0.00 N ATOM 1157 NH2 ARG A 72 18.729 39.850 8.508 1.00 0.00 N ATOM 1158 OXT ARG A 72 20.859 34.353 3.881 1.00 0.00 O ATOM 0 H ARG A 72 17.589 34.015 6.328 1.00 0.00 H new ATOM 0 HA ARG A 72 18.550 35.131 3.741 1.00 0.00 H new ATOM 0 HB2 ARG A 72 17.815 36.534 5.819 1.00 0.00 H new ATOM 0 HB3 ARG A 72 19.228 35.900 6.640 1.00 0.00 H new ATOM 0 HG2 ARG A 72 20.624 36.766 4.638 1.00 0.00 H new ATOM 0 HG3 ARG A 72 19.182 37.608 4.106 1.00 0.00 H new ATOM 0 HD2 ARG A 72 20.553 37.945 6.828 1.00 0.00 H new ATOM 0 HD3 ARG A 72 20.574 39.111 5.519 1.00 0.00 H new ATOM 0 HE ARG A 72 17.800 38.442 6.225 1.00 0.00 H new ATOM 0 HH11 ARG A 72 18.611 41.199 5.606 1.00 0.00 H new ATOM 0 HH12 ARG A 72 18.647 41.992 7.185 1.00 0.00 H new ATOM 0 HH21 ARG A 72 18.760 38.923 8.932 1.00 0.00 H new ATOM 0 HH22 ARG A 72 18.733 40.681 9.099 1.00 0.00 H new