USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=16 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 -32:sc= 0.348 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 37:sc= 0.786 USER MOD Single : A 19 ASN : amide:sc= -0.694 K(o=-0.69,f=-0.17) USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.457 USER MOD Single : A 21 MET CE :methyl 180:sc= -0.717 (180deg=-0.717) USER MOD Single : A 28 ASN : amide:sc= -0.115 X(o=-0.11,f=-0.53) USER MOD Single : A 30 HIS : no HD1:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HE2:sc= -3.45! K(o=-3.5!,f=-1.7) USER MOD Single : A 37 SER OG : rot 108:sc= 0.0469 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -149:sc= -0.538 (180deg=-2.04!) USER MOD Single : A 43 ASN : amide:sc= 0 K(o=0,f=0.75) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc=-0.00256 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 22:sc= 0.939 USER MOD Single : A 64 LYS NZ :NH3+ -142:sc= -0.844 (180deg=-2.84!) USER MOD Single : A 68 THR OG1 : rot 58:sc= 0.0815 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 77 N SER A 6 1.646 16.666 -2.277 1.00 0.00 N ATOM 78 CA SER A 6 2.524 17.828 -2.550 1.00 0.00 C ATOM 79 C SER A 6 3.964 17.522 -2.161 1.00 0.00 C ATOM 80 O SER A 6 4.286 16.404 -1.811 1.00 0.00 O ATOM 81 CB SER A 6 2.037 19.009 -1.716 1.00 0.00 C ATOM 82 OG SER A 6 2.065 18.526 -0.378 1.00 0.00 O ATOM 0 HA SER A 6 2.487 18.056 -3.615 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.684 19.878 -1.840 1.00 0.00 H new ATOM 0 HB3 SER A 6 1.033 19.316 -2.008 1.00 0.00 H new ATOM 0 HG SER A 6 1.872 17.565 -0.373 1.00 0.00 H new ATOM 88 N PHE A 7 4.812 18.521 -2.221 1.00 0.00 N ATOM 89 CA PHE A 7 6.231 18.279 -1.852 1.00 0.00 C ATOM 90 C PHE A 7 6.886 19.536 -1.287 1.00 0.00 C ATOM 91 O PHE A 7 6.680 20.625 -1.785 1.00 0.00 O ATOM 92 CB PHE A 7 6.990 17.846 -3.114 1.00 0.00 C ATOM 93 CG PHE A 7 8.342 17.256 -2.711 1.00 0.00 C ATOM 94 CD1 PHE A 7 8.426 15.962 -2.224 1.00 0.00 C ATOM 95 CD2 PHE A 7 9.500 18.008 -2.821 1.00 0.00 C ATOM 96 CE1 PHE A 7 9.645 15.433 -1.853 1.00 0.00 C ATOM 97 CE2 PHE A 7 10.717 17.474 -2.449 1.00 0.00 C ATOM 98 CZ PHE A 7 10.789 16.189 -1.966 1.00 0.00 C ATOM 0 H PHE A 7 4.584 19.474 -2.505 1.00 0.00 H new ATOM 0 HA PHE A 7 6.265 17.506 -1.084 1.00 0.00 H new ATOM 0 HB2 PHE A 7 6.409 17.109 -3.667 1.00 0.00 H new ATOM 0 HB3 PHE A 7 7.135 18.700 -3.776 1.00 0.00 H new ATOM 0 HD1 PHE A 7 7.532 15.363 -2.134 1.00 0.00 H new ATOM 0 HD2 PHE A 7 9.450 19.018 -3.200 1.00 0.00 H new ATOM 0 HE1 PHE A 7 9.701 14.424 -1.473 1.00 0.00 H new ATOM 0 HE2 PHE A 7 11.615 18.067 -2.538 1.00 0.00 H new ATOM 0 HZ PHE A 7 11.743 15.773 -1.676 1.00 0.00 H new ATOM 108 N GLU A 8 7.672 19.349 -0.251 1.00 0.00 N ATOM 109 CA GLU A 8 8.362 20.507 0.379 1.00 0.00 C ATOM 110 C GLU A 8 9.839 20.526 0.001 1.00 0.00 C ATOM 111 O GLU A 8 10.512 19.517 0.068 1.00 0.00 O ATOM 112 CB GLU A 8 8.246 20.356 1.905 1.00 0.00 C ATOM 113 CG GLU A 8 8.883 21.573 2.584 1.00 0.00 C ATOM 114 CD GLU A 8 9.495 21.145 3.920 1.00 0.00 C ATOM 115 OE1 GLU A 8 9.035 20.135 4.426 1.00 0.00 O ATOM 116 OE2 GLU A 8 10.386 21.853 4.358 1.00 0.00 O ATOM 0 H GLU A 8 7.861 18.444 0.180 1.00 0.00 H new ATOM 0 HA GLU A 8 7.902 21.433 0.035 1.00 0.00 H new ATOM 0 HB2 GLU A 8 7.199 20.270 2.195 1.00 0.00 H new ATOM 0 HB3 GLU A 8 8.743 19.442 2.230 1.00 0.00 H new ATOM 0 HG2 GLU A 8 9.651 22.002 1.940 1.00 0.00 H new ATOM 0 HG3 GLU A 8 8.133 22.347 2.746 1.00 0.00 H new ATOM 123 N MET A 9 10.317 21.676 -0.391 1.00 0.00 N ATOM 124 CA MET A 9 11.749 21.776 -0.776 1.00 0.00 C ATOM 125 C MET A 9 12.215 23.226 -0.750 1.00 0.00 C ATOM 126 O MET A 9 11.562 24.100 -1.285 1.00 0.00 O ATOM 127 CB MET A 9 11.906 21.233 -2.204 1.00 0.00 C ATOM 128 CG MET A 9 13.303 20.626 -2.362 1.00 0.00 C ATOM 129 SD MET A 9 14.688 21.505 -1.596 1.00 0.00 S ATOM 130 CE MET A 9 15.983 20.318 -2.041 1.00 0.00 C ATOM 0 H MET A 9 9.782 22.542 -0.460 1.00 0.00 H new ATOM 0 HA MET A 9 12.349 21.202 -0.070 1.00 0.00 H new ATOM 0 HB2 MET A 9 11.144 20.480 -2.405 1.00 0.00 H new ATOM 0 HB3 MET A 9 11.761 22.034 -2.928 1.00 0.00 H new ATOM 0 HG2 MET A 9 13.279 19.616 -1.954 1.00 0.00 H new ATOM 0 HG3 MET A 9 13.511 20.534 -3.428 1.00 0.00 H new ATOM 0 HE1 MET A 9 16.943 20.667 -1.660 1.00 0.00 H new ATOM 0 HE2 MET A 9 15.751 19.346 -1.605 1.00 0.00 H new ATOM 0 HE3 MET A 9 16.035 20.226 -3.126 1.00 0.00 H new ATOM 140 N GLU A 10 13.339 23.459 -0.131 1.00 0.00 N ATOM 141 CA GLU A 10 13.857 24.845 -0.063 1.00 0.00 C ATOM 142 C GLU A 10 14.538 25.230 -1.374 1.00 0.00 C ATOM 143 O GLU A 10 15.152 24.407 -2.021 1.00 0.00 O ATOM 144 CB GLU A 10 14.891 24.924 1.072 1.00 0.00 C ATOM 145 CG GLU A 10 14.273 24.365 2.357 1.00 0.00 C ATOM 146 CD GLU A 10 15.378 23.765 3.229 1.00 0.00 C ATOM 147 OE1 GLU A 10 15.676 22.605 3.001 1.00 0.00 O ATOM 148 OE2 GLU A 10 15.862 24.501 4.075 1.00 0.00 O ATOM 0 H GLU A 10 13.915 22.752 0.326 1.00 0.00 H new ATOM 0 HA GLU A 10 13.027 25.528 0.117 1.00 0.00 H new ATOM 0 HB2 GLU A 10 15.783 24.357 0.807 1.00 0.00 H new ATOM 0 HB3 GLU A 10 15.203 25.957 1.224 1.00 0.00 H new ATOM 0 HG2 GLU A 10 13.755 25.156 2.899 1.00 0.00 H new ATOM 0 HG3 GLU A 10 13.530 23.604 2.116 1.00 0.00 H new ATOM 155 N GLY A 11 14.419 26.478 -1.742 1.00 0.00 N ATOM 156 CA GLY A 11 15.058 26.930 -3.011 1.00 0.00 C ATOM 157 C GLY A 11 15.399 28.414 -2.909 1.00 0.00 C ATOM 158 O GLY A 11 15.178 29.024 -1.882 1.00 0.00 O ATOM 0 H GLY A 11 13.913 27.197 -1.225 1.00 0.00 H new ATOM 0 HA2 GLY A 11 15.961 26.351 -3.202 1.00 0.00 H new ATOM 0 HA3 GLY A 11 14.385 26.758 -3.851 1.00 0.00 H new ATOM 162 N THR A 12 15.933 28.960 -3.974 1.00 0.00 N ATOM 163 CA THR A 12 16.299 30.404 -3.959 1.00 0.00 C ATOM 164 C THR A 12 15.405 31.184 -4.935 1.00 0.00 C ATOM 165 O THR A 12 14.883 30.621 -5.868 1.00 0.00 O ATOM 166 CB THR A 12 17.780 30.524 -4.375 1.00 0.00 C ATOM 167 OG1 THR A 12 18.404 31.222 -3.317 1.00 0.00 O ATOM 168 CG2 THR A 12 17.949 31.442 -5.587 1.00 0.00 C ATOM 0 H THR A 12 16.129 28.469 -4.846 1.00 0.00 H new ATOM 0 HA THR A 12 16.155 30.822 -2.963 1.00 0.00 H new ATOM 0 HB THR A 12 18.177 29.533 -4.596 1.00 0.00 H new ATOM 0 HG1 THR A 12 19.357 31.333 -3.516 1.00 0.00 H new ATOM 0 HG21 THR A 12 19.004 31.504 -5.852 1.00 0.00 H new ATOM 0 HG22 THR A 12 17.386 31.040 -6.429 1.00 0.00 H new ATOM 0 HG23 THR A 12 17.577 32.437 -5.344 1.00 0.00 H new ATOM 176 N VAL A 13 15.258 32.469 -4.699 1.00 0.00 N ATOM 177 CA VAL A 13 14.367 33.308 -5.643 1.00 0.00 C ATOM 178 C VAL A 13 15.110 34.252 -6.605 1.00 0.00 C ATOM 179 O VAL A 13 15.601 35.267 -6.184 1.00 0.00 O ATOM 180 CB VAL A 13 13.518 34.249 -4.778 1.00 0.00 C ATOM 181 CG1 VAL A 13 12.531 34.992 -5.679 1.00 0.00 C ATOM 182 CG2 VAL A 13 12.753 33.444 -3.731 1.00 0.00 C ATOM 0 H VAL A 13 15.689 32.980 -3.929 1.00 0.00 H new ATOM 0 HA VAL A 13 13.822 32.572 -6.234 1.00 0.00 H new ATOM 0 HB VAL A 13 14.165 34.963 -4.269 1.00 0.00 H new ATOM 0 HG11 VAL A 13 11.922 35.664 -5.075 1.00 0.00 H new ATOM 0 HG12 VAL A 13 13.081 35.570 -6.422 1.00 0.00 H new ATOM 0 HG13 VAL A 13 11.886 34.272 -6.183 1.00 0.00 H new ATOM 0 HG21 VAL A 13 12.153 34.119 -3.121 1.00 0.00 H new ATOM 0 HG22 VAL A 13 12.100 32.727 -4.229 1.00 0.00 H new ATOM 0 HG23 VAL A 13 13.459 32.911 -3.095 1.00 0.00 H new ATOM 192 N VAL A 14 15.131 33.954 -7.905 1.00 0.00 N ATOM 193 CA VAL A 14 15.843 34.883 -8.796 1.00 0.00 C ATOM 194 C VAL A 14 15.287 34.838 -10.230 1.00 0.00 C ATOM 195 O VAL A 14 15.777 34.153 -11.103 1.00 0.00 O ATOM 196 CB VAL A 14 17.322 34.466 -8.828 1.00 0.00 C ATOM 197 CG1 VAL A 14 18.204 35.709 -8.679 1.00 0.00 C ATOM 198 CG2 VAL A 14 17.615 33.508 -7.679 1.00 0.00 C ATOM 0 H VAL A 14 14.700 33.141 -8.345 1.00 0.00 H new ATOM 0 HA VAL A 14 15.716 35.897 -8.418 1.00 0.00 H new ATOM 0 HB VAL A 14 17.533 33.972 -9.776 1.00 0.00 H new ATOM 0 HG11 VAL A 14 19.253 35.415 -8.701 1.00 0.00 H new ATOM 0 HG12 VAL A 14 18.003 36.398 -9.499 1.00 0.00 H new ATOM 0 HG13 VAL A 14 17.985 36.199 -7.730 1.00 0.00 H new ATOM 0 HG21 VAL A 14 18.665 33.216 -7.707 1.00 0.00 H new ATOM 0 HG22 VAL A 14 17.401 34.001 -6.731 1.00 0.00 H new ATOM 0 HG23 VAL A 14 16.989 32.621 -7.776 1.00 0.00 H new ATOM 208 N ASP A 15 14.250 35.568 -10.392 1.00 0.00 N ATOM 209 CA ASP A 15 13.563 35.680 -11.696 1.00 0.00 C ATOM 210 C ASP A 15 12.226 36.372 -11.449 1.00 0.00 C ATOM 211 O ASP A 15 11.602 36.117 -10.436 1.00 0.00 O ATOM 212 CB ASP A 15 13.368 34.297 -12.324 1.00 0.00 C ATOM 213 CG ASP A 15 14.487 34.021 -13.350 1.00 0.00 C ATOM 214 OD1 ASP A 15 15.405 34.826 -13.393 1.00 0.00 O ATOM 215 OD2 ASP A 15 14.354 33.019 -14.034 1.00 0.00 O ATOM 0 H ASP A 15 13.824 36.120 -9.647 1.00 0.00 H new ATOM 0 HA ASP A 15 14.160 36.262 -12.398 1.00 0.00 H new ATOM 0 HB2 ASP A 15 13.378 33.532 -11.548 1.00 0.00 H new ATOM 0 HB3 ASP A 15 12.395 34.244 -12.812 1.00 0.00 H new ATOM 220 N THR A 16 11.799 37.217 -12.345 1.00 0.00 N ATOM 221 CA THR A 16 10.483 37.914 -12.120 1.00 0.00 C ATOM 222 C THR A 16 9.452 37.549 -13.173 1.00 0.00 C ATOM 223 O THR A 16 9.686 37.701 -14.357 1.00 0.00 O ATOM 224 CB THR A 16 10.725 39.419 -12.184 1.00 0.00 C ATOM 225 OG1 THR A 16 11.353 39.644 -13.431 1.00 0.00 O ATOM 226 CG2 THR A 16 11.767 39.848 -11.142 1.00 0.00 C ATOM 0 H THR A 16 12.285 37.458 -13.209 1.00 0.00 H new ATOM 0 HA THR A 16 10.096 37.603 -11.150 1.00 0.00 H new ATOM 0 HB THR A 16 9.787 39.952 -12.028 1.00 0.00 H new ATOM 0 HG1 THR A 16 10.967 39.046 -14.104 1.00 0.00 H new ATOM 0 HG21 THR A 16 11.924 40.925 -11.206 1.00 0.00 H new ATOM 0 HG22 THR A 16 11.411 39.592 -10.144 1.00 0.00 H new ATOM 0 HG23 THR A 16 12.708 39.333 -11.335 1.00 0.00 H new ATOM 234 N LEU A 17 8.317 37.073 -12.712 1.00 0.00 N ATOM 235 CA LEU A 17 7.241 36.689 -13.655 1.00 0.00 C ATOM 236 C LEU A 17 6.169 37.794 -13.691 1.00 0.00 C ATOM 237 O LEU A 17 6.111 38.626 -12.794 1.00 0.00 O ATOM 238 CB LEU A 17 6.594 35.402 -13.149 1.00 0.00 C ATOM 239 CG LEU A 17 7.603 34.248 -13.264 1.00 0.00 C ATOM 240 CD1 LEU A 17 8.064 33.832 -11.879 1.00 0.00 C ATOM 241 CD2 LEU A 17 6.936 33.057 -13.950 1.00 0.00 C ATOM 0 H LEU A 17 8.099 36.938 -11.725 1.00 0.00 H new ATOM 0 HA LEU A 17 7.657 36.548 -14.653 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.279 35.523 -12.113 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.700 35.178 -13.730 1.00 0.00 H new ATOM 0 HG LEU A 17 8.461 34.577 -13.849 1.00 0.00 H new ATOM 0 HD11 LEU A 17 8.779 33.014 -11.964 1.00 0.00 H new ATOM 0 HD12 LEU A 17 8.539 34.679 -11.384 1.00 0.00 H new ATOM 0 HD13 LEU A 17 7.205 33.504 -11.293 1.00 0.00 H new ATOM 0 HD21 LEU A 17 7.650 32.238 -14.032 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.078 32.732 -13.362 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.604 33.350 -14.946 1.00 0.00 H new ATOM 253 N PRO A 18 5.285 37.758 -14.688 1.00 0.00 N ATOM 254 CA PRO A 18 4.240 38.771 -14.794 1.00 0.00 C ATOM 255 C PRO A 18 2.922 38.283 -14.213 1.00 0.00 C ATOM 256 O PRO A 18 2.722 37.101 -14.014 1.00 0.00 O ATOM 257 CB PRO A 18 4.045 38.921 -16.312 1.00 0.00 C ATOM 258 CG PRO A 18 4.593 37.606 -16.958 1.00 0.00 C ATOM 259 CD PRO A 18 5.387 36.866 -15.859 1.00 0.00 C ATOM 0 HA PRO A 18 4.516 39.683 -14.265 1.00 0.00 H new ATOM 0 HB2 PRO A 18 2.993 39.065 -16.556 1.00 0.00 H new ATOM 0 HB3 PRO A 18 4.581 39.792 -16.689 1.00 0.00 H new ATOM 0 HG2 PRO A 18 3.775 36.987 -17.327 1.00 0.00 H new ATOM 0 HG3 PRO A 18 5.233 37.832 -17.811 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.962 35.884 -15.652 1.00 0.00 H new ATOM 0 HD3 PRO A 18 6.425 36.709 -16.153 1.00 0.00 H new ATOM 267 N ASN A 19 2.057 39.224 -13.934 1.00 0.00 N ATOM 268 CA ASN A 19 0.737 38.881 -13.361 1.00 0.00 C ATOM 269 C ASN A 19 0.865 38.602 -11.861 1.00 0.00 C ATOM 270 O ASN A 19 0.006 37.987 -11.271 1.00 0.00 O ATOM 271 CB ASN A 19 0.179 37.639 -14.084 1.00 0.00 C ATOM 272 CG ASN A 19 -1.322 37.826 -14.310 1.00 0.00 C ATOM 273 OD1 ASN A 19 -2.112 36.930 -14.083 1.00 0.00 O ATOM 274 ND2 ASN A 19 -1.757 38.973 -14.757 1.00 0.00 N ATOM 0 H ASN A 19 2.217 40.220 -14.082 1.00 0.00 H new ATOM 0 HA ASN A 19 0.055 39.720 -13.498 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.688 37.498 -15.037 1.00 0.00 H new ATOM 0 HB3 ASN A 19 0.361 36.744 -13.490 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -2.755 39.114 -14.914 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -1.099 39.728 -14.949 1.00 0.00 H new ATOM 281 N THR A 20 1.955 39.095 -11.290 1.00 0.00 N ATOM 282 CA THR A 20 2.231 38.913 -9.818 1.00 0.00 C ATOM 283 C THR A 20 2.843 37.555 -9.470 1.00 0.00 C ATOM 284 O THR A 20 2.234 36.770 -8.771 1.00 0.00 O ATOM 285 CB THR A 20 0.925 39.057 -9.021 1.00 0.00 C ATOM 286 OG1 THR A 20 0.226 40.127 -9.622 1.00 0.00 O ATOM 287 CG2 THR A 20 1.223 39.538 -7.589 1.00 0.00 C ATOM 0 H THR A 20 2.671 39.621 -11.791 1.00 0.00 H new ATOM 0 HA THR A 20 2.955 39.684 -9.555 1.00 0.00 H new ATOM 0 HB THR A 20 0.391 38.107 -9.007 1.00 0.00 H new ATOM 0 HG1 THR A 20 -0.624 40.267 -9.154 1.00 0.00 H new ATOM 0 HG21 THR A 20 0.289 39.636 -7.036 1.00 0.00 H new ATOM 0 HG22 THR A 20 1.867 38.815 -7.089 1.00 0.00 H new ATOM 0 HG23 THR A 20 1.725 40.505 -7.627 1.00 0.00 H new ATOM 295 N MET A 21 4.035 37.289 -9.954 1.00 0.00 N ATOM 296 CA MET A 21 4.656 35.973 -9.621 1.00 0.00 C ATOM 297 C MET A 21 6.176 36.057 -9.679 1.00 0.00 C ATOM 298 O MET A 21 6.731 36.957 -10.275 1.00 0.00 O ATOM 299 CB MET A 21 4.165 34.892 -10.606 1.00 0.00 C ATOM 300 CG MET A 21 3.466 35.549 -11.787 1.00 0.00 C ATOM 301 SD MET A 21 1.732 35.989 -11.562 1.00 0.00 S ATOM 302 CE MET A 21 1.013 34.545 -12.387 1.00 0.00 C ATOM 0 H MET A 21 4.588 37.907 -10.547 1.00 0.00 H new ATOM 0 HA MET A 21 4.359 35.707 -8.607 1.00 0.00 H new ATOM 0 HB2 MET A 21 5.008 34.296 -10.956 1.00 0.00 H new ATOM 0 HB3 MET A 21 3.481 34.210 -10.100 1.00 0.00 H new ATOM 0 HG2 MET A 21 4.015 36.454 -12.047 1.00 0.00 H new ATOM 0 HG3 MET A 21 3.538 34.876 -12.642 1.00 0.00 H new ATOM 0 HE1 MET A 21 -0.074 34.616 -12.362 1.00 0.00 H new ATOM 0 HE2 MET A 21 1.351 34.512 -13.423 1.00 0.00 H new ATOM 0 HE3 MET A 21 1.330 33.637 -11.873 1.00 0.00 H new ATOM 312 N PHE A 22 6.814 35.108 -9.045 1.00 0.00 N ATOM 313 CA PHE A 22 8.289 35.081 -9.029 1.00 0.00 C ATOM 314 C PHE A 22 8.744 33.661 -9.272 1.00 0.00 C ATOM 315 O PHE A 22 7.978 32.739 -9.063 1.00 0.00 O ATOM 316 CB PHE A 22 8.768 35.527 -7.639 1.00 0.00 C ATOM 317 CG PHE A 22 8.400 36.997 -7.422 1.00 0.00 C ATOM 318 CD1 PHE A 22 9.150 38.003 -8.009 1.00 0.00 C ATOM 319 CD2 PHE A 22 7.312 37.340 -6.637 1.00 0.00 C ATOM 320 CE1 PHE A 22 8.815 39.328 -7.814 1.00 0.00 C ATOM 321 CE2 PHE A 22 6.982 38.667 -6.445 1.00 0.00 C ATOM 322 CZ PHE A 22 7.733 39.658 -7.033 1.00 0.00 C ATOM 0 H PHE A 22 6.363 34.348 -8.536 1.00 0.00 H new ATOM 0 HA PHE A 22 8.694 35.741 -9.796 1.00 0.00 H new ATOM 0 HB2 PHE A 22 8.309 34.908 -6.868 1.00 0.00 H new ATOM 0 HB3 PHE A 22 9.847 35.394 -7.554 1.00 0.00 H new ATOM 0 HD1 PHE A 22 10.002 37.749 -8.623 1.00 0.00 H new ATOM 0 HD2 PHE A 22 6.719 36.566 -6.173 1.00 0.00 H new ATOM 0 HE1 PHE A 22 9.404 40.107 -8.276 1.00 0.00 H new ATOM 0 HE2 PHE A 22 6.132 38.927 -5.832 1.00 0.00 H new ATOM 0 HZ PHE A 22 7.473 40.695 -6.881 1.00 0.00 H new ATOM 332 N ARG A 23 9.966 33.491 -9.704 1.00 0.00 N ATOM 333 CA ARG A 23 10.454 32.111 -9.958 1.00 0.00 C ATOM 334 C ARG A 23 11.520 31.713 -8.968 1.00 0.00 C ATOM 335 O ARG A 23 12.335 32.531 -8.562 1.00 0.00 O ATOM 336 CB ARG A 23 11.039 32.059 -11.369 1.00 0.00 C ATOM 337 CG ARG A 23 12.220 31.073 -11.412 1.00 0.00 C ATOM 338 CD ARG A 23 12.590 30.790 -12.867 1.00 0.00 C ATOM 339 NE ARG A 23 12.209 31.962 -13.703 1.00 0.00 N ATOM 340 CZ ARG A 23 11.083 31.938 -14.364 1.00 0.00 C ATOM 341 NH1 ARG A 23 10.709 30.824 -14.932 1.00 0.00 N ATOM 342 NH2 ARG A 23 10.368 33.028 -14.430 1.00 0.00 N ATOM 0 H ARG A 23 10.636 34.238 -9.889 1.00 0.00 H new ATOM 0 HA ARG A 23 9.619 31.419 -9.853 1.00 0.00 H new ATOM 0 HB2 ARG A 23 10.271 31.751 -12.079 1.00 0.00 H new ATOM 0 HB3 ARG A 23 11.372 33.052 -11.670 1.00 0.00 H new ATOM 0 HG2 ARG A 23 13.076 31.490 -10.882 1.00 0.00 H new ATOM 0 HG3 ARG A 23 11.953 30.145 -10.906 1.00 0.00 H new ATOM 0 HD2 ARG A 23 13.660 30.599 -12.953 1.00 0.00 H new ATOM 0 HD3 ARG A 23 12.077 29.895 -13.218 1.00 0.00 H new ATOM 0 HE ARG A 23 12.822 32.776 -13.759 1.00 0.00 H new ATOM 0 HH11 ARG A 23 11.293 29.991 -14.855 1.00 0.00 H new ATOM 0 HH12 ARG A 23 9.833 30.786 -15.452 1.00 0.00 H new ATOM 0 HH21 ARG A 23 10.692 33.879 -13.970 1.00 0.00 H new ATOM 0 HH22 ARG A 23 9.486 33.029 -14.942 1.00 0.00 H new ATOM 356 N VAL A 24 11.508 30.455 -8.607 1.00 0.00 N ATOM 357 CA VAL A 24 12.479 29.965 -7.672 1.00 0.00 C ATOM 358 C VAL A 24 13.394 29.029 -8.390 1.00 0.00 C ATOM 359 O VAL A 24 12.985 28.372 -9.330 1.00 0.00 O ATOM 360 CB VAL A 24 11.745 29.198 -6.597 1.00 0.00 C ATOM 361 CG1 VAL A 24 11.538 30.096 -5.378 1.00 0.00 C ATOM 362 CG2 VAL A 24 10.403 28.763 -7.132 1.00 0.00 C ATOM 0 H VAL A 24 10.842 29.760 -8.944 1.00 0.00 H new ATOM 0 HA VAL A 24 13.048 30.786 -7.236 1.00 0.00 H new ATOM 0 HB VAL A 24 12.329 28.324 -6.306 1.00 0.00 H new ATOM 0 HG11 VAL A 24 11.008 29.541 -4.603 1.00 0.00 H new ATOM 0 HG12 VAL A 24 12.506 30.419 -4.995 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.952 30.969 -5.665 1.00 0.00 H new ATOM 0 HG21 VAL A 24 9.867 28.209 -6.362 1.00 0.00 H new ATOM 0 HG22 VAL A 24 9.823 29.641 -7.417 1.00 0.00 H new ATOM 0 HG23 VAL A 24 10.548 28.125 -8.004 1.00 0.00 H new ATOM 372 N GLU A 25 14.599 28.973 -7.949 1.00 0.00 N ATOM 373 CA GLU A 25 15.568 28.070 -8.608 1.00 0.00 C ATOM 374 C GLU A 25 16.013 26.946 -7.698 1.00 0.00 C ATOM 375 O GLU A 25 16.706 27.139 -6.714 1.00 0.00 O ATOM 376 CB GLU A 25 16.796 28.896 -9.016 1.00 0.00 C ATOM 377 CG GLU A 25 16.337 30.080 -9.867 1.00 0.00 C ATOM 378 CD GLU A 25 17.560 30.869 -10.341 1.00 0.00 C ATOM 379 OE1 GLU A 25 18.275 31.337 -9.470 1.00 0.00 O ATOM 380 OE2 GLU A 25 17.712 30.958 -11.549 1.00 0.00 O ATOM 0 H GLU A 25 14.963 29.510 -7.162 1.00 0.00 H new ATOM 0 HA GLU A 25 15.081 27.621 -9.474 1.00 0.00 H new ATOM 0 HB2 GLU A 25 17.323 29.251 -8.130 1.00 0.00 H new ATOM 0 HB3 GLU A 25 17.496 28.278 -9.577 1.00 0.00 H new ATOM 0 HG2 GLU A 25 15.764 29.726 -10.724 1.00 0.00 H new ATOM 0 HG3 GLU A 25 15.677 30.725 -9.287 1.00 0.00 H new ATOM 387 N LEU A 26 15.578 25.806 -8.070 1.00 0.00 N ATOM 388 CA LEU A 26 15.879 24.580 -7.358 1.00 0.00 C ATOM 389 C LEU A 26 16.874 23.897 -8.254 1.00 0.00 C ATOM 390 O LEU A 26 16.832 22.701 -8.455 1.00 0.00 O ATOM 391 CB LEU A 26 14.602 23.726 -7.183 1.00 0.00 C ATOM 392 CG LEU A 26 13.628 24.471 -6.264 1.00 0.00 C ATOM 393 CD1 LEU A 26 12.223 23.899 -6.447 1.00 0.00 C ATOM 394 CD2 LEU A 26 14.059 24.282 -4.806 1.00 0.00 C ATOM 0 H LEU A 26 14.989 25.672 -8.892 1.00 0.00 H new ATOM 0 HA LEU A 26 16.263 24.746 -6.351 1.00 0.00 H new ATOM 0 HB2 LEU A 26 14.138 23.539 -8.151 1.00 0.00 H new ATOM 0 HB3 LEU A 26 14.854 22.755 -6.757 1.00 0.00 H new ATOM 0 HG LEU A 26 13.631 25.532 -6.514 1.00 0.00 H new ATOM 0 HD11 LEU A 26 11.527 24.427 -5.795 1.00 0.00 H new ATOM 0 HD12 LEU A 26 11.912 24.022 -7.484 1.00 0.00 H new ATOM 0 HD13 LEU A 26 12.226 22.839 -6.193 1.00 0.00 H new ATOM 0 HD21 LEU A 26 13.367 24.811 -4.151 1.00 0.00 H new ATOM 0 HD22 LEU A 26 14.052 23.220 -4.559 1.00 0.00 H new ATOM 0 HD23 LEU A 26 15.065 24.680 -4.669 1.00 0.00 H new ATOM 406 N GLU A 27 17.712 24.765 -8.865 1.00 0.00 N ATOM 407 CA GLU A 27 18.777 24.317 -9.816 1.00 0.00 C ATOM 408 C GLU A 27 19.398 23.023 -9.412 1.00 0.00 C ATOM 409 O GLU A 27 20.202 22.473 -10.138 1.00 0.00 O ATOM 410 CB GLU A 27 19.873 25.394 -9.851 1.00 0.00 C ATOM 411 CG GLU A 27 20.669 25.351 -8.544 1.00 0.00 C ATOM 412 CD GLU A 27 19.706 25.487 -7.365 1.00 0.00 C ATOM 413 OE1 GLU A 27 19.241 24.449 -6.924 1.00 0.00 O ATOM 414 OE2 GLU A 27 19.490 26.621 -6.972 1.00 0.00 O ATOM 0 H GLU A 27 17.679 25.775 -8.724 1.00 0.00 H new ATOM 0 HA GLU A 27 18.315 24.171 -10.792 1.00 0.00 H new ATOM 0 HB2 GLU A 27 20.536 25.226 -10.699 1.00 0.00 H new ATOM 0 HB3 GLU A 27 19.426 26.379 -9.986 1.00 0.00 H new ATOM 0 HG2 GLU A 27 21.222 24.414 -8.471 1.00 0.00 H new ATOM 0 HG3 GLU A 27 21.403 26.157 -8.524 1.00 0.00 H new ATOM 421 N ASN A 28 19.051 22.547 -8.279 1.00 0.00 N ATOM 422 CA ASN A 28 19.615 21.282 -7.866 1.00 0.00 C ATOM 423 C ASN A 28 18.945 20.249 -8.787 1.00 0.00 C ATOM 424 O ASN A 28 18.816 19.084 -8.469 1.00 0.00 O ATOM 425 CB ASN A 28 19.223 21.007 -6.403 1.00 0.00 C ATOM 426 CG ASN A 28 20.426 21.268 -5.493 1.00 0.00 C ATOM 427 OD1 ASN A 28 21.527 20.827 -5.758 1.00 0.00 O ATOM 428 ND2 ASN A 28 20.258 21.978 -4.411 1.00 0.00 N ATOM 0 H ASN A 28 18.401 22.982 -7.624 1.00 0.00 H new ATOM 0 HA ASN A 28 20.703 21.257 -7.932 1.00 0.00 H new ATOM 0 HB2 ASN A 28 18.389 21.646 -6.113 1.00 0.00 H new ATOM 0 HB3 ASN A 28 18.888 19.976 -6.293 1.00 0.00 H new ATOM 0 HD21 ASN A 28 21.049 22.160 -3.793 1.00 0.00 H new ATOM 0 HD22 ASN A 28 19.336 22.351 -4.184 1.00 0.00 H new ATOM 435 N GLY A 29 18.532 20.759 -9.953 1.00 0.00 N ATOM 436 CA GLY A 29 17.862 19.936 -10.974 1.00 0.00 C ATOM 437 C GLY A 29 16.397 20.416 -11.199 1.00 0.00 C ATOM 438 O GLY A 29 15.757 19.971 -12.132 1.00 0.00 O ATOM 0 H GLY A 29 18.649 21.738 -10.216 1.00 0.00 H new ATOM 0 HA2 GLY A 29 18.415 19.990 -11.912 1.00 0.00 H new ATOM 0 HA3 GLY A 29 17.863 18.891 -10.663 1.00 0.00 H new ATOM 442 N HIS A 30 15.889 21.318 -10.332 1.00 0.00 N ATOM 443 CA HIS A 30 14.471 21.804 -10.521 1.00 0.00 C ATOM 444 C HIS A 30 14.334 23.351 -10.624 1.00 0.00 C ATOM 445 O HIS A 30 15.107 24.094 -10.077 1.00 0.00 O ATOM 446 CB HIS A 30 13.642 21.326 -9.320 1.00 0.00 C ATOM 447 CG HIS A 30 12.952 20.010 -9.678 1.00 0.00 C ATOM 448 ND1 HIS A 30 13.508 19.042 -10.236 1.00 0.00 N ATOM 449 CD2 HIS A 30 11.640 19.621 -9.487 1.00 0.00 C ATOM 450 CE1 HIS A 30 12.699 18.084 -10.422 1.00 0.00 C ATOM 451 NE2 HIS A 30 11.474 18.362 -9.974 1.00 0.00 N ATOM 0 H HIS A 30 16.388 21.715 -9.536 1.00 0.00 H new ATOM 0 HA HIS A 30 14.121 21.397 -11.469 1.00 0.00 H new ATOM 0 HB2 HIS A 30 14.285 21.189 -8.451 1.00 0.00 H new ATOM 0 HB3 HIS A 30 12.900 22.078 -9.052 1.00 0.00 H new ATOM 0 HD2 HIS A 30 10.870 20.221 -9.025 1.00 0.00 H new ATOM 0 HE1 HIS A 30 12.971 17.149 -10.890 1.00 0.00 H new ATOM 0 HE2 HIS A 30 10.634 17.783 -9.992 1.00 0.00 H new ATOM 459 N VAL A 31 13.385 23.770 -11.408 1.00 0.00 N ATOM 460 CA VAL A 31 13.120 25.236 -11.599 1.00 0.00 C ATOM 461 C VAL A 31 11.599 25.421 -11.410 1.00 0.00 C ATOM 462 O VAL A 31 10.846 24.620 -11.929 1.00 0.00 O ATOM 463 CB VAL A 31 13.535 25.633 -13.031 1.00 0.00 C ATOM 464 CG1 VAL A 31 12.459 26.522 -13.664 1.00 0.00 C ATOM 465 CG2 VAL A 31 14.850 26.410 -12.963 1.00 0.00 C ATOM 0 H VAL A 31 12.767 23.155 -11.937 1.00 0.00 H new ATOM 0 HA VAL A 31 13.678 25.855 -10.897 1.00 0.00 H new ATOM 0 HB VAL A 31 13.655 24.734 -13.636 1.00 0.00 H new ATOM 0 HG11 VAL A 31 12.762 26.796 -14.674 1.00 0.00 H new ATOM 0 HG12 VAL A 31 11.515 25.979 -13.703 1.00 0.00 H new ATOM 0 HG13 VAL A 31 12.334 27.424 -13.065 1.00 0.00 H new ATOM 0 HG21 VAL A 31 15.155 26.697 -13.969 1.00 0.00 H new ATOM 0 HG22 VAL A 31 14.713 27.305 -12.356 1.00 0.00 H new ATOM 0 HG23 VAL A 31 15.621 25.783 -12.515 1.00 0.00 H new ATOM 475 N VAL A 32 11.144 26.439 -10.693 1.00 0.00 N ATOM 476 CA VAL A 32 9.665 26.570 -10.538 1.00 0.00 C ATOM 477 C VAL A 32 9.189 28.004 -10.469 1.00 0.00 C ATOM 478 O VAL A 32 9.966 28.934 -10.410 1.00 0.00 O ATOM 479 CB VAL A 32 9.268 25.887 -9.246 1.00 0.00 C ATOM 480 CG1 VAL A 32 7.884 25.289 -9.403 1.00 0.00 C ATOM 481 CG2 VAL A 32 10.263 24.771 -8.926 1.00 0.00 C ATOM 0 H VAL A 32 11.712 27.150 -10.232 1.00 0.00 H new ATOM 0 HA VAL A 32 9.207 26.117 -11.417 1.00 0.00 H new ATOM 0 HB VAL A 32 9.268 26.617 -8.436 1.00 0.00 H new ATOM 0 HG11 VAL A 32 7.593 24.796 -8.475 1.00 0.00 H new ATOM 0 HG12 VAL A 32 7.170 26.080 -9.633 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.892 24.561 -10.214 1.00 0.00 H new ATOM 0 HG21 VAL A 32 9.974 24.282 -7.996 1.00 0.00 H new ATOM 0 HG22 VAL A 32 10.263 24.041 -9.735 1.00 0.00 H new ATOM 0 HG23 VAL A 32 11.262 25.194 -8.819 1.00 0.00 H new ATOM 491 N THR A 33 7.889 28.131 -10.480 1.00 0.00 N ATOM 492 CA THR A 33 7.253 29.463 -10.417 1.00 0.00 C ATOM 493 C THR A 33 6.460 29.572 -9.129 1.00 0.00 C ATOM 494 O THR A 33 5.681 28.691 -8.816 1.00 0.00 O ATOM 495 CB THR A 33 6.300 29.594 -11.603 1.00 0.00 C ATOM 496 OG1 THR A 33 7.105 30.019 -12.686 1.00 0.00 O ATOM 497 CG2 THR A 33 5.301 30.743 -11.388 1.00 0.00 C ATOM 0 H THR A 33 7.236 27.349 -10.531 1.00 0.00 H new ATOM 0 HA THR A 33 8.009 30.248 -10.449 1.00 0.00 H new ATOM 0 HB THR A 33 5.769 28.654 -11.751 1.00 0.00 H new ATOM 0 HG1 THR A 33 6.549 30.121 -13.486 1.00 0.00 H new ATOM 0 HG21 THR A 33 4.635 30.812 -12.248 1.00 0.00 H new ATOM 0 HG22 THR A 33 4.714 30.552 -10.490 1.00 0.00 H new ATOM 0 HG23 THR A 33 5.844 31.681 -11.273 1.00 0.00 H new ATOM 505 N ALA A 34 6.664 30.636 -8.392 1.00 0.00 N ATOM 506 CA ALA A 34 5.911 30.778 -7.124 1.00 0.00 C ATOM 507 C ALA A 34 5.522 32.219 -6.868 1.00 0.00 C ATOM 508 O ALA A 34 5.819 33.096 -7.656 1.00 0.00 O ATOM 509 CB ALA A 34 6.812 30.304 -5.976 1.00 0.00 C ATOM 0 H ALA A 34 7.308 31.395 -8.614 1.00 0.00 H new ATOM 0 HA ALA A 34 5.000 30.184 -7.191 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.278 30.400 -5.031 1.00 0.00 H new ATOM 0 HB2 ALA A 34 7.085 29.261 -6.135 1.00 0.00 H new ATOM 0 HB3 ALA A 34 7.714 30.915 -5.946 1.00 0.00 H new ATOM 515 N HIS A 35 4.854 32.431 -5.763 1.00 0.00 N ATOM 516 CA HIS A 35 4.422 33.805 -5.410 1.00 0.00 C ATOM 517 C HIS A 35 4.764 34.091 -3.966 1.00 0.00 C ATOM 518 O HIS A 35 5.081 33.187 -3.217 1.00 0.00 O ATOM 519 CB HIS A 35 2.901 33.909 -5.592 1.00 0.00 C ATOM 520 CG HIS A 35 2.481 33.091 -6.811 1.00 0.00 C ATOM 521 ND1 HIS A 35 1.985 33.565 -7.855 1.00 0.00 N ATOM 522 CD2 HIS A 35 2.552 31.730 -7.023 1.00 0.00 C ATOM 523 CE1 HIS A 35 1.734 32.657 -8.704 1.00 0.00 C ATOM 524 NE2 HIS A 35 2.064 31.443 -8.262 1.00 0.00 N ATOM 0 H HIS A 35 4.592 31.708 -5.093 1.00 0.00 H new ATOM 0 HA HIS A 35 4.930 34.524 -6.053 1.00 0.00 H new ATOM 0 HB2 HIS A 35 2.391 33.543 -4.701 1.00 0.00 H new ATOM 0 HB3 HIS A 35 2.609 34.951 -5.721 1.00 0.00 H new ATOM 0 HD1 HIS A 35 1.805 34.558 -8.006 1.00 0.00 H new ATOM 0 HD2 HIS A 35 2.934 31.006 -6.318 1.00 0.00 H new ATOM 0 HE1 HIS A 35 1.302 32.846 -9.676 1.00 0.00 H new ATOM 532 N ILE A 36 4.693 35.336 -3.593 1.00 0.00 N ATOM 533 CA ILE A 36 5.017 35.691 -2.190 1.00 0.00 C ATOM 534 C ILE A 36 3.743 35.833 -1.361 1.00 0.00 C ATOM 535 O ILE A 36 2.901 36.663 -1.644 1.00 0.00 O ATOM 536 CB ILE A 36 5.775 37.029 -2.210 1.00 0.00 C ATOM 537 CG1 ILE A 36 6.272 37.385 -0.814 1.00 0.00 C ATOM 538 CG2 ILE A 36 4.814 38.134 -2.684 1.00 0.00 C ATOM 539 CD1 ILE A 36 6.982 38.748 -0.869 1.00 0.00 C ATOM 0 H ILE A 36 4.427 36.116 -4.194 1.00 0.00 H new ATOM 0 HA ILE A 36 5.624 34.906 -1.739 1.00 0.00 H new ATOM 0 HB ILE A 36 6.630 36.941 -2.881 1.00 0.00 H new ATOM 0 HG12 ILE A 36 5.436 37.423 -0.115 1.00 0.00 H new ATOM 0 HG13 ILE A 36 6.956 36.618 -0.451 1.00 0.00 H new ATOM 0 HG21 ILE A 36 5.339 39.089 -2.703 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.454 37.898 -3.685 1.00 0.00 H new ATOM 0 HG23 ILE A 36 3.968 38.198 -2.000 1.00 0.00 H new ATOM 0 HD11 ILE A 36 7.341 39.011 0.126 1.00 0.00 H new ATOM 0 HD12 ILE A 36 7.826 38.691 -1.556 1.00 0.00 H new ATOM 0 HD13 ILE A 36 6.283 39.509 -1.215 1.00 0.00 H new ATOM 551 N SER A 37 3.622 35.010 -0.355 1.00 0.00 N ATOM 552 CA SER A 37 2.417 35.072 0.505 1.00 0.00 C ATOM 553 C SER A 37 2.373 36.368 1.308 1.00 0.00 C ATOM 554 O SER A 37 3.200 37.242 1.133 1.00 0.00 O ATOM 555 CB SER A 37 2.464 33.887 1.482 1.00 0.00 C ATOM 556 OG SER A 37 2.189 32.758 0.666 1.00 0.00 O ATOM 0 H SER A 37 4.307 34.300 -0.096 1.00 0.00 H new ATOM 0 HA SER A 37 1.531 35.032 -0.128 1.00 0.00 H new ATOM 0 HB2 SER A 37 3.439 33.804 1.962 1.00 0.00 H new ATOM 0 HB3 SER A 37 1.725 33.995 2.276 1.00 0.00 H new ATOM 0 HG SER A 37 3.008 32.234 0.545 1.00 0.00 H new ATOM 562 N GLY A 38 1.399 36.467 2.175 1.00 0.00 N ATOM 563 CA GLY A 38 1.275 37.699 3.007 1.00 0.00 C ATOM 564 C GLY A 38 2.427 37.785 4.015 1.00 0.00 C ATOM 565 O GLY A 38 2.603 38.795 4.677 1.00 0.00 O ATOM 0 H GLY A 38 0.689 35.754 2.342 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.279 38.580 2.365 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.322 37.694 3.535 1.00 0.00 H new ATOM 569 N LYS A 39 3.185 36.723 4.120 1.00 0.00 N ATOM 570 CA LYS A 39 4.320 36.735 5.075 1.00 0.00 C ATOM 571 C LYS A 39 5.099 38.033 4.945 1.00 0.00 C ATOM 572 O LYS A 39 5.677 38.517 5.898 1.00 0.00 O ATOM 573 CB LYS A 39 5.252 35.558 4.741 1.00 0.00 C ATOM 574 CG LYS A 39 4.777 34.316 5.496 1.00 0.00 C ATOM 575 CD LYS A 39 3.333 34.014 5.096 1.00 0.00 C ATOM 576 CE LYS A 39 3.059 32.524 5.293 1.00 0.00 C ATOM 577 NZ LYS A 39 1.626 32.222 5.026 1.00 0.00 N ATOM 0 H LYS A 39 3.065 35.860 3.590 1.00 0.00 H new ATOM 0 HA LYS A 39 3.940 36.648 6.093 1.00 0.00 H new ATOM 0 HB2 LYS A 39 5.250 35.369 3.667 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.278 35.799 5.021 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.418 33.466 5.263 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.843 34.481 6.571 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.644 34.606 5.699 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.165 34.293 4.056 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.691 31.940 4.625 1.00 0.00 H new ATOM 0 HE3 LYS A 39 3.316 32.232 6.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.454 31.206 5.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.029 32.766 5.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 1.393 32.483 4.047 1.00 0.00 H new ATOM 591 N MET A 40 5.098 38.571 3.759 1.00 0.00 N ATOM 592 CA MET A 40 5.827 39.839 3.530 1.00 0.00 C ATOM 593 C MET A 40 5.156 40.986 4.265 1.00 0.00 C ATOM 594 O MET A 40 5.802 41.746 4.960 1.00 0.00 O ATOM 595 CB MET A 40 5.814 40.149 2.031 1.00 0.00 C ATOM 596 CG MET A 40 4.383 40.067 1.520 1.00 0.00 C ATOM 597 SD MET A 40 3.390 41.579 1.579 1.00 0.00 S ATOM 598 CE MET A 40 2.277 41.178 0.211 1.00 0.00 C ATOM 0 H MET A 40 4.624 38.186 2.942 1.00 0.00 H new ATOM 0 HA MET A 40 6.847 39.729 3.898 1.00 0.00 H new ATOM 0 HB2 MET A 40 6.222 41.143 1.849 1.00 0.00 H new ATOM 0 HB3 MET A 40 6.446 39.441 1.495 1.00 0.00 H new ATOM 0 HG2 MET A 40 4.414 39.724 0.486 1.00 0.00 H new ATOM 0 HG3 MET A 40 3.864 39.300 2.095 1.00 0.00 H new ATOM 0 HE1 MET A 40 1.566 41.992 0.070 1.00 0.00 H new ATOM 0 HE2 MET A 40 2.857 41.040 -0.702 1.00 0.00 H new ATOM 0 HE3 MET A 40 1.736 40.260 0.439 1.00 0.00 H new ATOM 608 N ARG A 41 3.868 41.097 4.094 1.00 0.00 N ATOM 609 CA ARG A 41 3.141 42.188 4.778 1.00 0.00 C ATOM 610 C ARG A 41 3.535 42.242 6.240 1.00 0.00 C ATOM 611 O ARG A 41 3.832 43.294 6.770 1.00 0.00 O ATOM 612 CB ARG A 41 1.634 41.908 4.677 1.00 0.00 C ATOM 613 CG ARG A 41 1.013 42.870 3.662 1.00 0.00 C ATOM 614 CD ARG A 41 -0.331 42.309 3.196 1.00 0.00 C ATOM 615 NE ARG A 41 -1.267 42.270 4.354 1.00 0.00 N ATOM 616 CZ ARG A 41 -1.847 43.372 4.745 1.00 0.00 C ATOM 617 NH1 ARG A 41 -1.738 44.438 4.000 1.00 0.00 N ATOM 618 NH2 ARG A 41 -2.516 43.370 5.867 1.00 0.00 N ATOM 0 H ARG A 41 3.296 40.482 3.514 1.00 0.00 H new ATOM 0 HA ARG A 41 3.388 43.140 4.308 1.00 0.00 H new ATOM 0 HB2 ARG A 41 1.463 40.876 4.370 1.00 0.00 H new ATOM 0 HB3 ARG A 41 1.162 42.033 5.652 1.00 0.00 H new ATOM 0 HG2 ARG A 41 0.874 43.853 4.112 1.00 0.00 H new ATOM 0 HG3 ARG A 41 1.681 43.001 2.811 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -0.742 42.929 2.400 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -0.199 41.308 2.784 1.00 0.00 H new ATOM 0 HE ARG A 41 -1.453 41.391 4.837 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -1.207 44.400 3.130 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -2.184 45.309 4.288 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -2.579 42.516 6.422 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -2.976 44.222 6.188 1.00 0.00 H new ATOM 632 N LYS A 42 3.532 41.104 6.868 1.00 0.00 N ATOM 633 CA LYS A 42 3.904 41.065 8.297 1.00 0.00 C ATOM 634 C LYS A 42 5.332 41.549 8.483 1.00 0.00 C ATOM 635 O LYS A 42 5.632 42.273 9.411 1.00 0.00 O ATOM 636 CB LYS A 42 3.803 39.615 8.784 1.00 0.00 C ATOM 637 CG LYS A 42 2.493 39.435 9.552 1.00 0.00 C ATOM 638 CD LYS A 42 1.323 39.477 8.564 1.00 0.00 C ATOM 639 CE LYS A 42 0.092 38.843 9.216 1.00 0.00 C ATOM 640 NZ LYS A 42 0.452 37.552 9.866 1.00 0.00 N ATOM 0 H LYS A 42 3.289 40.205 6.453 1.00 0.00 H new ATOM 0 HA LYS A 42 3.235 41.712 8.864 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.839 38.930 7.937 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.651 39.374 9.425 1.00 0.00 H new ATOM 0 HG2 LYS A 42 2.499 38.486 10.088 1.00 0.00 H new ATOM 0 HG3 LYS A 42 2.383 40.222 10.298 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.109 40.507 8.279 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.583 38.941 7.651 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -0.327 39.525 9.956 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -0.679 38.676 8.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -0.363 36.907 9.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 1.254 37.122 9.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 0.717 37.724 10.857 1.00 0.00 H new ATOM 654 N ASN A 43 6.189 41.139 7.590 1.00 0.00 N ATOM 655 CA ASN A 43 7.604 41.559 7.691 1.00 0.00 C ATOM 656 C ASN A 43 7.853 42.808 6.856 1.00 0.00 C ATOM 657 O ASN A 43 8.967 43.073 6.450 1.00 0.00 O ATOM 658 CB ASN A 43 8.487 40.423 7.158 1.00 0.00 C ATOM 659 CG ASN A 43 8.400 39.228 8.108 1.00 0.00 C ATOM 660 OD1 ASN A 43 7.425 38.503 8.123 1.00 0.00 O ATOM 661 ND2 ASN A 43 9.394 38.987 8.916 1.00 0.00 N ATOM 0 H ASN A 43 5.967 40.534 6.800 1.00 0.00 H new ATOM 0 HA ASN A 43 7.839 41.779 8.732 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.162 40.132 6.159 1.00 0.00 H new ATOM 0 HB3 ASN A 43 9.520 40.760 7.072 1.00 0.00 H new ATOM 0 HD21 ASN A 43 9.350 38.194 9.556 1.00 0.00 H new ATOM 0 HD22 ASN A 43 10.215 39.592 8.909 1.00 0.00 H new ATOM 668 N TYR A 44 6.807 43.550 6.609 1.00 0.00 N ATOM 669 CA TYR A 44 6.966 44.784 5.802 1.00 0.00 C ATOM 670 C TYR A 44 7.206 44.438 4.340 1.00 0.00 C ATOM 671 O TYR A 44 8.187 43.803 4.008 1.00 0.00 O ATOM 672 CB TYR A 44 8.184 45.557 6.335 1.00 0.00 C ATOM 673 CG TYR A 44 7.863 47.052 6.373 1.00 0.00 C ATOM 674 CD1 TYR A 44 7.984 47.824 5.236 1.00 0.00 C ATOM 675 CD2 TYR A 44 7.451 47.651 7.546 1.00 0.00 C ATOM 676 CE1 TYR A 44 7.698 49.174 5.271 1.00 0.00 C ATOM 677 CE2 TYR A 44 7.165 49.001 7.582 1.00 0.00 C ATOM 678 CZ TYR A 44 7.286 49.772 6.444 1.00 0.00 C ATOM 679 OH TYR A 44 7.005 51.123 6.481 1.00 0.00 O ATOM 0 H TYR A 44 5.859 43.354 6.930 1.00 0.00 H new ATOM 0 HA TYR A 44 6.059 45.384 5.878 1.00 0.00 H new ATOM 0 HB2 TYR A 44 8.443 45.204 7.333 1.00 0.00 H new ATOM 0 HB3 TYR A 44 9.050 45.376 5.698 1.00 0.00 H new ATOM 0 HD1 TYR A 44 8.305 47.368 4.311 1.00 0.00 H new ATOM 0 HD2 TYR A 44 7.351 47.059 8.443 1.00 0.00 H new ATOM 0 HE1 TYR A 44 7.798 49.766 4.373 1.00 0.00 H new ATOM 0 HE2 TYR A 44 6.844 49.457 8.507 1.00 0.00 H new ATOM 0 HH TYR A 44 6.728 51.375 7.387 1.00 0.00 H new ATOM 689 N ILE A 45 6.300 44.856 3.489 1.00 0.00 N ATOM 690 CA ILE A 45 6.464 44.559 2.048 1.00 0.00 C ATOM 691 C ILE A 45 7.915 44.791 1.624 1.00 0.00 C ATOM 692 O ILE A 45 8.432 45.884 1.720 1.00 0.00 O ATOM 693 CB ILE A 45 5.487 45.480 1.254 1.00 0.00 C ATOM 694 CG1 ILE A 45 4.679 44.643 0.278 1.00 0.00 C ATOM 695 CG2 ILE A 45 6.259 46.553 0.443 1.00 0.00 C ATOM 696 CD1 ILE A 45 5.550 44.300 -0.930 1.00 0.00 C ATOM 0 H ILE A 45 5.464 45.385 3.736 1.00 0.00 H new ATOM 0 HA ILE A 45 6.230 43.515 1.841 1.00 0.00 H new ATOM 0 HB ILE A 45 4.836 45.974 1.976 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.333 43.730 0.763 1.00 0.00 H new ATOM 0 HG13 ILE A 45 3.792 45.190 -0.042 1.00 0.00 H new ATOM 0 HG21 ILE A 45 5.550 47.179 -0.099 1.00 0.00 H new ATOM 0 HG22 ILE A 45 6.844 47.172 1.123 1.00 0.00 H new ATOM 0 HG23 ILE A 45 6.926 46.063 -0.266 1.00 0.00 H new ATOM 0 HD11 ILE A 45 4.975 43.699 -1.634 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.874 45.219 -1.418 1.00 0.00 H new ATOM 0 HD13 ILE A 45 6.423 43.737 -0.601 1.00 0.00 H new ATOM 708 N ARG A 46 8.562 43.740 1.200 1.00 0.00 N ATOM 709 CA ARG A 46 9.969 43.889 0.775 1.00 0.00 C ATOM 710 C ARG A 46 10.379 42.793 -0.197 1.00 0.00 C ATOM 711 O ARG A 46 10.074 41.636 0.010 1.00 0.00 O ATOM 712 CB ARG A 46 10.855 43.798 2.023 1.00 0.00 C ATOM 713 CG ARG A 46 10.617 42.452 2.711 1.00 0.00 C ATOM 714 CD ARG A 46 11.166 42.516 4.138 1.00 0.00 C ATOM 715 NE ARG A 46 12.601 42.922 4.086 1.00 0.00 N ATOM 716 CZ ARG A 46 12.982 44.011 4.698 1.00 0.00 C ATOM 717 NH1 ARG A 46 12.356 44.376 5.782 1.00 0.00 N ATOM 718 NH2 ARG A 46 13.977 44.698 4.204 1.00 0.00 N ATOM 0 H ARG A 46 8.177 42.798 1.132 1.00 0.00 H new ATOM 0 HA ARG A 46 10.083 44.849 0.271 1.00 0.00 H new ATOM 0 HB2 ARG A 46 11.905 43.898 1.747 1.00 0.00 H new ATOM 0 HB3 ARG A 46 10.626 44.615 2.707 1.00 0.00 H new ATOM 0 HG2 ARG A 46 9.552 42.221 2.728 1.00 0.00 H new ATOM 0 HG3 ARG A 46 11.107 41.653 2.155 1.00 0.00 H new ATOM 0 HD2 ARG A 46 10.594 43.230 4.730 1.00 0.00 H new ATOM 0 HD3 ARG A 46 11.066 41.546 4.624 1.00 0.00 H new ATOM 0 HE ARG A 46 13.278 42.354 3.577 1.00 0.00 H new ATOM 0 HH11 ARG A 46 11.583 43.814 6.138 1.00 0.00 H new ATOM 0 HH12 ARG A 46 12.639 45.224 6.274 1.00 0.00 H new ATOM 0 HH21 ARG A 46 14.443 44.381 3.354 1.00 0.00 H new ATOM 0 HH22 ARG A 46 14.288 45.551 4.669 1.00 0.00 H new ATOM 732 N ILE A 47 11.071 43.187 -1.241 1.00 0.00 N ATOM 733 CA ILE A 47 11.523 42.194 -2.250 1.00 0.00 C ATOM 734 C ILE A 47 13.029 42.000 -2.169 1.00 0.00 C ATOM 735 O ILE A 47 13.773 42.956 -2.061 1.00 0.00 O ATOM 736 CB ILE A 47 11.176 42.720 -3.639 1.00 0.00 C ATOM 737 CG1 ILE A 47 9.682 42.976 -3.737 1.00 0.00 C ATOM 738 CG2 ILE A 47 11.562 41.654 -4.674 1.00 0.00 C ATOM 739 CD1 ILE A 47 9.321 44.170 -2.854 1.00 0.00 C ATOM 0 H ILE A 47 11.338 44.153 -1.432 1.00 0.00 H new ATOM 0 HA ILE A 47 11.029 41.241 -2.058 1.00 0.00 H new ATOM 0 HB ILE A 47 11.715 43.650 -3.823 1.00 0.00 H new ATOM 0 HG12 ILE A 47 9.401 43.175 -4.771 1.00 0.00 H new ATOM 0 HG13 ILE A 47 9.127 42.093 -3.420 1.00 0.00 H new ATOM 0 HG21 ILE A 47 11.321 42.014 -5.674 1.00 0.00 H new ATOM 0 HG22 ILE A 47 12.631 41.454 -4.609 1.00 0.00 H new ATOM 0 HG23 ILE A 47 11.008 40.736 -4.475 1.00 0.00 H new ATOM 0 HD11 ILE A 47 8.250 44.360 -2.919 1.00 0.00 H new ATOM 0 HD12 ILE A 47 9.589 43.952 -1.820 1.00 0.00 H new ATOM 0 HD13 ILE A 47 9.867 45.051 -3.192 1.00 0.00 H new ATOM 751 N LEU A 48 13.451 40.764 -2.222 1.00 0.00 N ATOM 752 CA LEU A 48 14.909 40.471 -2.150 1.00 0.00 C ATOM 753 C LEU A 48 15.288 39.443 -3.209 1.00 0.00 C ATOM 754 O LEU A 48 14.775 38.341 -3.216 1.00 0.00 O ATOM 755 CB LEU A 48 15.198 39.897 -0.744 1.00 0.00 C ATOM 756 CG LEU A 48 16.699 39.579 -0.575 1.00 0.00 C ATOM 757 CD1 LEU A 48 16.998 38.181 -1.125 1.00 0.00 C ATOM 758 CD2 LEU A 48 17.550 40.612 -1.320 1.00 0.00 C ATOM 0 H LEU A 48 12.848 39.946 -2.312 1.00 0.00 H new ATOM 0 HA LEU A 48 15.489 41.377 -2.327 1.00 0.00 H new ATOM 0 HB2 LEU A 48 14.886 40.613 0.016 1.00 0.00 H new ATOM 0 HB3 LEU A 48 14.611 38.992 -0.589 1.00 0.00 H new ATOM 0 HG LEU A 48 16.945 39.615 0.486 1.00 0.00 H new ATOM 0 HD11 LEU A 48 18.059 37.961 -1.003 1.00 0.00 H new ATOM 0 HD12 LEU A 48 16.410 37.442 -0.581 1.00 0.00 H new ATOM 0 HD13 LEU A 48 16.739 38.143 -2.183 1.00 0.00 H new ATOM 0 HD21 LEU A 48 18.606 40.374 -1.191 1.00 0.00 H new ATOM 0 HD22 LEU A 48 17.300 40.592 -2.381 1.00 0.00 H new ATOM 0 HD23 LEU A 48 17.350 41.606 -0.919 1.00 0.00 H new ATOM 770 N THR A 49 16.184 39.815 -4.088 1.00 0.00 N ATOM 771 CA THR A 49 16.599 38.862 -5.146 1.00 0.00 C ATOM 772 C THR A 49 17.439 37.752 -4.570 1.00 0.00 C ATOM 773 O THR A 49 18.517 37.953 -4.045 1.00 0.00 O ATOM 774 CB THR A 49 17.400 39.609 -6.211 1.00 0.00 C ATOM 775 OG1 THR A 49 16.489 40.515 -6.799 1.00 0.00 O ATOM 776 CG2 THR A 49 17.803 38.665 -7.356 1.00 0.00 C ATOM 0 H THR A 49 16.638 40.728 -4.115 1.00 0.00 H new ATOM 0 HA THR A 49 15.706 38.422 -5.590 1.00 0.00 H new ATOM 0 HB THR A 49 18.284 40.059 -5.759 1.00 0.00 H new ATOM 0 HG1 THR A 49 16.945 41.031 -7.496 1.00 0.00 H new ATOM 0 HG21 THR A 49 18.372 39.220 -8.102 1.00 0.00 H new ATOM 0 HG22 THR A 49 18.416 37.855 -6.961 1.00 0.00 H new ATOM 0 HG23 THR A 49 16.907 38.250 -7.818 1.00 0.00 H new ATOM 784 N GLY A 50 16.909 36.614 -4.714 1.00 0.00 N ATOM 785 CA GLY A 50 17.534 35.378 -4.231 1.00 0.00 C ATOM 786 C GLY A 50 17.350 35.273 -2.751 1.00 0.00 C ATOM 787 O GLY A 50 18.236 35.547 -1.967 1.00 0.00 O ATOM 0 H GLY A 50 16.011 36.469 -5.175 1.00 0.00 H new ATOM 0 HA2 GLY A 50 17.089 34.515 -4.726 1.00 0.00 H new ATOM 0 HA3 GLY A 50 18.596 35.374 -4.478 1.00 0.00 H new ATOM 791 N ASP A 51 16.177 34.868 -2.422 1.00 0.00 N ATOM 792 CA ASP A 51 15.804 34.688 -1.035 1.00 0.00 C ATOM 793 C ASP A 51 15.711 33.228 -0.821 1.00 0.00 C ATOM 794 O ASP A 51 15.025 32.573 -1.592 1.00 0.00 O ATOM 795 CB ASP A 51 14.438 35.329 -0.781 1.00 0.00 C ATOM 796 CG ASP A 51 14.436 35.981 0.606 1.00 0.00 C ATOM 797 OD1 ASP A 51 15.180 35.485 1.437 1.00 0.00 O ATOM 798 OD2 ASP A 51 13.692 36.936 0.755 1.00 0.00 O ATOM 0 H ASP A 51 15.439 34.648 -3.091 1.00 0.00 H new ATOM 0 HA ASP A 51 16.528 35.149 -0.363 1.00 0.00 H new ATOM 0 HB2 ASP A 51 14.225 36.075 -1.547 1.00 0.00 H new ATOM 0 HB3 ASP A 51 13.653 34.576 -0.843 1.00 0.00 H new ATOM 803 N LYS A 52 16.344 32.683 0.150 1.00 0.00 N ATOM 804 CA LYS A 52 16.177 31.242 0.268 1.00 0.00 C ATOM 805 C LYS A 52 14.785 31.043 0.820 1.00 0.00 C ATOM 806 O LYS A 52 14.516 31.440 1.930 1.00 0.00 O ATOM 807 CB LYS A 52 17.221 30.672 1.238 1.00 0.00 C ATOM 808 CG LYS A 52 18.485 30.301 0.458 1.00 0.00 C ATOM 809 CD LYS A 52 19.534 29.748 1.427 1.00 0.00 C ATOM 810 CE LYS A 52 20.014 30.873 2.349 1.00 0.00 C ATOM 811 NZ LYS A 52 21.305 30.504 2.990 1.00 0.00 N ATOM 0 H LYS A 52 16.941 33.146 0.835 1.00 0.00 H new ATOM 0 HA LYS A 52 16.309 30.734 -0.687 1.00 0.00 H new ATOM 0 HB2 LYS A 52 17.457 31.406 2.009 1.00 0.00 H new ATOM 0 HB3 LYS A 52 16.822 29.794 1.746 1.00 0.00 H new ATOM 0 HG2 LYS A 52 18.251 29.558 -0.305 1.00 0.00 H new ATOM 0 HG3 LYS A 52 18.877 31.177 -0.059 1.00 0.00 H new ATOM 0 HD2 LYS A 52 19.109 28.936 2.016 1.00 0.00 H new ATOM 0 HD3 LYS A 52 20.375 29.333 0.872 1.00 0.00 H new ATOM 0 HE2 LYS A 52 20.135 31.793 1.778 1.00 0.00 H new ATOM 0 HE3 LYS A 52 19.264 31.069 3.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 21.617 31.277 3.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 21.179 29.637 3.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 22.023 30.339 2.256 1.00 0.00 H new ATOM 825 N VAL A 53 13.919 30.443 0.038 1.00 0.00 N ATOM 826 CA VAL A 53 12.519 30.228 0.526 1.00 0.00 C ATOM 827 C VAL A 53 12.069 28.795 0.470 1.00 0.00 C ATOM 828 O VAL A 53 12.687 27.964 -0.165 1.00 0.00 O ATOM 829 CB VAL A 53 11.601 31.021 -0.403 1.00 0.00 C ATOM 830 CG1 VAL A 53 11.910 32.507 -0.266 1.00 0.00 C ATOM 831 CG2 VAL A 53 11.867 30.580 -1.847 1.00 0.00 C ATOM 0 H VAL A 53 14.116 30.098 -0.902 1.00 0.00 H new ATOM 0 HA VAL A 53 12.482 30.541 1.570 1.00 0.00 H new ATOM 0 HB VAL A 53 10.558 30.841 -0.143 1.00 0.00 H new ATOM 0 HG11 VAL A 53 11.257 33.077 -0.927 1.00 0.00 H new ATOM 0 HG12 VAL A 53 11.744 32.820 0.765 1.00 0.00 H new ATOM 0 HG13 VAL A 53 12.950 32.689 -0.538 1.00 0.00 H new ATOM 0 HG21 VAL A 53 11.219 31.138 -2.523 1.00 0.00 H new ATOM 0 HG22 VAL A 53 12.909 30.775 -2.101 1.00 0.00 H new ATOM 0 HG23 VAL A 53 11.663 29.514 -1.945 1.00 0.00 H new ATOM 841 N ARG A 54 10.971 28.525 1.158 1.00 0.00 N ATOM 842 CA ARG A 54 10.447 27.150 1.160 1.00 0.00 C ATOM 843 C ARG A 54 9.364 27.072 0.116 1.00 0.00 C ATOM 844 O ARG A 54 8.338 27.711 0.248 1.00 0.00 O ATOM 845 CB ARG A 54 9.850 26.826 2.532 1.00 0.00 C ATOM 846 CG ARG A 54 9.507 25.335 2.569 1.00 0.00 C ATOM 847 CD ARG A 54 9.208 24.917 4.008 1.00 0.00 C ATOM 848 NE ARG A 54 10.294 25.420 4.892 1.00 0.00 N ATOM 849 CZ ARG A 54 11.271 24.622 5.221 1.00 0.00 C ATOM 850 NH1 ARG A 54 12.226 24.406 4.358 1.00 0.00 N ATOM 851 NH2 ARG A 54 11.263 24.066 6.401 1.00 0.00 N ATOM 0 H ARG A 54 10.437 29.201 1.704 1.00 0.00 H new ATOM 0 HA ARG A 54 11.245 26.439 0.946 1.00 0.00 H new ATOM 0 HB2 ARG A 54 10.560 27.072 3.322 1.00 0.00 H new ATOM 0 HB3 ARG A 54 8.957 27.425 2.708 1.00 0.00 H new ATOM 0 HG2 ARG A 54 8.645 25.133 1.934 1.00 0.00 H new ATOM 0 HG3 ARG A 54 10.338 24.750 2.174 1.00 0.00 H new ATOM 0 HD2 ARG A 54 8.246 25.320 4.326 1.00 0.00 H new ATOM 0 HD3 ARG A 54 9.137 23.832 4.078 1.00 0.00 H new ATOM 0 HE ARG A 54 10.274 26.380 5.237 1.00 0.00 H new ATOM 0 HH11 ARG A 54 12.200 24.858 3.444 1.00 0.00 H new ATOM 0 HH12 ARG A 54 12.999 23.785 4.597 1.00 0.00 H new ATOM 0 HH21 ARG A 54 10.500 24.258 7.050 1.00 0.00 H new ATOM 0 HH22 ARG A 54 12.020 23.439 6.674 1.00 0.00 H new ATOM 865 N VAL A 55 9.593 26.288 -0.900 1.00 0.00 N ATOM 866 CA VAL A 55 8.579 26.171 -1.960 1.00 0.00 C ATOM 867 C VAL A 55 7.747 24.911 -1.833 1.00 0.00 C ATOM 868 O VAL A 55 8.261 23.839 -1.574 1.00 0.00 O ATOM 869 CB VAL A 55 9.305 26.133 -3.311 1.00 0.00 C ATOM 870 CG1 VAL A 55 8.270 26.127 -4.438 1.00 0.00 C ATOM 871 CG2 VAL A 55 10.186 27.378 -3.441 1.00 0.00 C ATOM 0 H VAL A 55 10.436 25.730 -1.034 1.00 0.00 H new ATOM 0 HA VAL A 55 7.906 27.024 -1.876 1.00 0.00 H new ATOM 0 HB VAL A 55 9.922 25.237 -3.375 1.00 0.00 H new ATOM 0 HG11 VAL A 55 8.781 26.100 -5.401 1.00 0.00 H new ATOM 0 HG12 VAL A 55 7.632 25.249 -4.341 1.00 0.00 H new ATOM 0 HG13 VAL A 55 7.660 27.028 -4.376 1.00 0.00 H new ATOM 0 HG21 VAL A 55 10.705 27.358 -4.399 1.00 0.00 H new ATOM 0 HG22 VAL A 55 9.564 28.271 -3.384 1.00 0.00 H new ATOM 0 HG23 VAL A 55 10.917 27.393 -2.632 1.00 0.00 H new ATOM 881 N GLU A 56 6.459 25.079 -2.020 1.00 0.00 N ATOM 882 CA GLU A 56 5.539 23.940 -1.931 1.00 0.00 C ATOM 883 C GLU A 56 5.045 23.641 -3.314 1.00 0.00 C ATOM 884 O GLU A 56 4.418 24.476 -3.941 1.00 0.00 O ATOM 885 CB GLU A 56 4.348 24.337 -1.044 1.00 0.00 C ATOM 886 CG GLU A 56 3.973 23.159 -0.146 1.00 0.00 C ATOM 887 CD GLU A 56 3.234 22.107 -0.966 1.00 0.00 C ATOM 888 OE1 GLU A 56 3.585 21.980 -2.129 1.00 0.00 O ATOM 889 OE2 GLU A 56 2.359 21.489 -0.384 1.00 0.00 O ATOM 0 H GLU A 56 6.017 25.974 -2.232 1.00 0.00 H new ATOM 0 HA GLU A 56 6.037 23.068 -1.507 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.605 25.205 -0.437 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.498 24.622 -1.663 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.870 22.726 0.297 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.345 23.501 0.677 1.00 0.00 H new ATOM 896 N LEU A 57 5.322 22.465 -3.774 1.00 0.00 N ATOM 897 CA LEU A 57 4.873 22.103 -5.125 1.00 0.00 C ATOM 898 C LEU A 57 3.547 21.378 -5.061 1.00 0.00 C ATOM 899 O LEU A 57 3.286 20.637 -4.129 1.00 0.00 O ATOM 900 CB LEU A 57 5.933 21.181 -5.738 1.00 0.00 C ATOM 901 CG LEU A 57 7.319 21.814 -5.542 1.00 0.00 C ATOM 902 CD1 LEU A 57 8.240 20.819 -4.839 1.00 0.00 C ATOM 903 CD2 LEU A 57 7.908 22.164 -6.902 1.00 0.00 C ATOM 0 H LEU A 57 5.839 21.743 -3.272 1.00 0.00 H new ATOM 0 HA LEU A 57 4.743 23.001 -5.730 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.897 20.199 -5.265 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.734 21.031 -6.799 1.00 0.00 H new ATOM 0 HG LEU A 57 7.224 22.715 -4.936 1.00 0.00 H new ATOM 0 HD11 LEU A 57 9.223 21.269 -4.700 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.820 20.558 -3.868 1.00 0.00 H new ATOM 0 HD13 LEU A 57 8.335 19.919 -5.447 1.00 0.00 H new ATOM 0 HD21 LEU A 57 8.892 22.614 -6.768 1.00 0.00 H new ATOM 0 HD22 LEU A 57 8.002 21.259 -7.502 1.00 0.00 H new ATOM 0 HD23 LEU A 57 7.253 22.871 -7.411 1.00 0.00 H new ATOM 915 N THR A 58 2.734 21.593 -6.065 1.00 0.00 N ATOM 916 CA THR A 58 1.405 20.928 -6.087 1.00 0.00 C ATOM 917 C THR A 58 1.365 19.746 -7.072 1.00 0.00 C ATOM 918 O THR A 58 1.981 19.788 -8.119 1.00 0.00 O ATOM 919 CB THR A 58 0.393 21.976 -6.537 1.00 0.00 C ATOM 920 OG1 THR A 58 0.552 22.072 -7.939 1.00 0.00 O ATOM 921 CG2 THR A 58 0.792 23.367 -5.999 1.00 0.00 C ATOM 0 H THR A 58 2.935 22.196 -6.863 1.00 0.00 H new ATOM 0 HA THR A 58 1.185 20.533 -5.095 1.00 0.00 H new ATOM 0 HB THR A 58 -0.607 21.704 -6.201 1.00 0.00 H new ATOM 0 HG1 THR A 58 -0.077 22.734 -8.295 1.00 0.00 H new ATOM 0 HG21 THR A 58 0.062 24.107 -6.327 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.819 23.342 -4.910 1.00 0.00 H new ATOM 0 HG23 THR A 58 1.777 23.636 -6.380 1.00 0.00 H new ATOM 929 N PRO A 59 0.625 18.696 -6.707 1.00 0.00 N ATOM 930 CA PRO A 59 0.505 17.512 -7.557 1.00 0.00 C ATOM 931 C PRO A 59 -0.143 17.857 -8.896 1.00 0.00 C ATOM 932 O PRO A 59 0.028 17.153 -9.871 1.00 0.00 O ATOM 933 CB PRO A 59 -0.421 16.553 -6.776 1.00 0.00 C ATOM 934 CG PRO A 59 -0.880 17.298 -5.487 1.00 0.00 C ATOM 935 CD PRO A 59 -0.115 18.628 -5.435 1.00 0.00 C ATOM 0 HA PRO A 59 1.482 17.081 -7.775 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -1.281 16.270 -7.383 1.00 0.00 H new ATOM 0 HB3 PRO A 59 0.106 15.633 -6.521 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -1.956 17.473 -5.506 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -0.671 16.699 -4.601 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -0.798 19.471 -5.331 1.00 0.00 H new ATOM 0 HD3 PRO A 59 0.563 18.659 -4.582 1.00 0.00 H new ATOM 943 N TYR A 60 -0.883 18.935 -8.914 1.00 0.00 N ATOM 944 CA TYR A 60 -1.551 19.340 -10.177 1.00 0.00 C ATOM 945 C TYR A 60 -0.545 19.935 -11.157 1.00 0.00 C ATOM 946 O TYR A 60 -0.778 19.963 -12.350 1.00 0.00 O ATOM 947 CB TYR A 60 -2.612 20.401 -9.845 1.00 0.00 C ATOM 948 CG TYR A 60 -4.002 19.768 -9.932 1.00 0.00 C ATOM 949 CD1 TYR A 60 -4.519 19.380 -11.150 1.00 0.00 C ATOM 950 CD2 TYR A 60 -4.756 19.569 -8.792 1.00 0.00 C ATOM 951 CE1 TYR A 60 -5.769 18.803 -11.230 1.00 0.00 C ATOM 952 CE2 TYR A 60 -6.007 18.990 -8.872 1.00 0.00 C ATOM 953 CZ TYR A 60 -6.523 18.603 -10.092 1.00 0.00 C ATOM 954 OH TYR A 60 -7.772 18.023 -10.173 1.00 0.00 O ATOM 0 H TYR A 60 -1.050 19.545 -8.114 1.00 0.00 H new ATOM 0 HA TYR A 60 -2.006 18.463 -10.637 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -2.443 20.800 -8.845 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -2.536 21.238 -10.539 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -3.940 19.529 -12.049 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -4.364 19.868 -7.831 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -6.161 18.505 -12.191 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -6.586 18.839 -7.973 1.00 0.00 H new ATOM 0 HH TYR A 60 -8.161 17.958 -9.276 1.00 0.00 H new ATOM 964 N ASP A 61 0.555 20.401 -10.634 1.00 0.00 N ATOM 965 CA ASP A 61 1.591 20.998 -11.513 1.00 0.00 C ATOM 966 C ASP A 61 2.790 21.462 -10.688 1.00 0.00 C ATOM 967 O ASP A 61 2.872 22.610 -10.297 1.00 0.00 O ATOM 968 CB ASP A 61 0.976 22.211 -12.233 1.00 0.00 C ATOM 969 CG ASP A 61 0.555 21.798 -13.643 1.00 0.00 C ATOM 970 OD1 ASP A 61 1.451 21.457 -14.399 1.00 0.00 O ATOM 971 OD2 ASP A 61 -0.639 21.845 -13.886 1.00 0.00 O ATOM 0 H ASP A 61 0.778 20.393 -9.639 1.00 0.00 H new ATOM 0 HA ASP A 61 1.929 20.252 -12.232 1.00 0.00 H new ATOM 0 HB2 ASP A 61 0.114 22.581 -11.677 1.00 0.00 H new ATOM 0 HB3 ASP A 61 1.698 23.026 -12.280 1.00 0.00 H new ATOM 976 N LEU A 62 3.698 20.555 -10.432 1.00 0.00 N ATOM 977 CA LEU A 62 4.891 20.925 -9.636 1.00 0.00 C ATOM 978 C LEU A 62 5.601 22.136 -10.221 1.00 0.00 C ATOM 979 O LEU A 62 6.211 22.897 -9.504 1.00 0.00 O ATOM 980 CB LEU A 62 5.851 19.734 -9.625 1.00 0.00 C ATOM 981 CG LEU A 62 5.170 18.569 -8.911 1.00 0.00 C ATOM 982 CD1 LEU A 62 4.705 17.553 -9.945 1.00 0.00 C ATOM 983 CD2 LEU A 62 6.165 17.904 -7.956 1.00 0.00 C ATOM 0 H LEU A 62 3.660 19.583 -10.740 1.00 0.00 H new ATOM 0 HA LEU A 62 4.572 21.181 -8.626 1.00 0.00 H new ATOM 0 HB2 LEU A 62 6.115 19.451 -10.644 1.00 0.00 H new ATOM 0 HB3 LEU A 62 6.778 20.000 -9.117 1.00 0.00 H new ATOM 0 HG LEU A 62 4.314 18.936 -8.344 1.00 0.00 H new ATOM 0 HD11 LEU A 62 4.218 16.718 -9.441 1.00 0.00 H new ATOM 0 HD12 LEU A 62 4.000 18.026 -10.628 1.00 0.00 H new ATOM 0 HD13 LEU A 62 5.564 17.186 -10.507 1.00 0.00 H new ATOM 0 HD21 LEU A 62 5.679 17.072 -7.446 1.00 0.00 H new ATOM 0 HD22 LEU A 62 7.020 17.534 -8.521 1.00 0.00 H new ATOM 0 HD23 LEU A 62 6.505 18.632 -7.220 1.00 0.00 H new ATOM 995 N SER A 63 5.514 22.303 -11.511 1.00 0.00 N ATOM 996 CA SER A 63 6.188 23.471 -12.121 1.00 0.00 C ATOM 997 C SER A 63 5.681 24.737 -11.462 1.00 0.00 C ATOM 998 O SER A 63 6.125 25.826 -11.764 1.00 0.00 O ATOM 999 CB SER A 63 5.843 23.511 -13.617 1.00 0.00 C ATOM 1000 OG SER A 63 6.095 24.854 -13.995 1.00 0.00 O ATOM 0 H SER A 63 5.014 21.691 -12.156 1.00 0.00 H new ATOM 0 HA SER A 63 7.267 23.394 -11.986 1.00 0.00 H new ATOM 0 HB2 SER A 63 6.458 22.815 -14.187 1.00 0.00 H new ATOM 0 HB3 SER A 63 4.803 23.236 -13.794 1.00 0.00 H new ATOM 0 HG SER A 63 6.716 25.263 -13.356 1.00 0.00 H new ATOM 1006 N LYS A 64 4.746 24.554 -10.564 1.00 0.00 N ATOM 1007 CA LYS A 64 4.166 25.703 -9.845 1.00 0.00 C ATOM 1008 C LYS A 64 4.126 25.410 -8.353 1.00 0.00 C ATOM 1009 O LYS A 64 3.894 24.280 -7.931 1.00 0.00 O ATOM 1010 CB LYS A 64 2.733 25.919 -10.356 1.00 0.00 C ATOM 1011 CG LYS A 64 2.775 26.206 -11.861 1.00 0.00 C ATOM 1012 CD LYS A 64 1.365 26.065 -12.443 1.00 0.00 C ATOM 1013 CE LYS A 64 0.641 27.409 -12.330 1.00 0.00 C ATOM 1014 NZ LYS A 64 0.278 27.688 -10.913 1.00 0.00 N ATOM 0 H LYS A 64 4.363 23.645 -10.304 1.00 0.00 H new ATOM 0 HA LYS A 64 4.771 26.593 -10.017 1.00 0.00 H new ATOM 0 HB2 LYS A 64 2.126 25.035 -10.159 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.267 26.750 -9.828 1.00 0.00 H new ATOM 0 HG2 LYS A 64 3.156 27.211 -12.041 1.00 0.00 H new ATOM 0 HG3 LYS A 64 3.456 25.514 -12.356 1.00 0.00 H new ATOM 0 HD2 LYS A 64 1.418 25.753 -13.486 1.00 0.00 H new ATOM 0 HD3 LYS A 64 0.812 25.294 -11.907 1.00 0.00 H new ATOM 0 HE2 LYS A 64 1.279 28.206 -12.712 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -0.258 27.398 -12.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -0.656 28.145 -10.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 0.248 26.795 -10.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 0.988 28.319 -10.490 1.00 0.00 H new ATOM 1028 N GLY A 65 4.341 26.426 -7.581 1.00 0.00 N ATOM 1029 CA GLY A 65 4.329 26.252 -6.115 1.00 0.00 C ATOM 1030 C GLY A 65 4.200 27.610 -5.467 1.00 0.00 C ATOM 1031 O GLY A 65 3.926 28.568 -6.130 1.00 0.00 O ATOM 0 H GLY A 65 4.526 27.375 -7.905 1.00 0.00 H new ATOM 0 HA2 GLY A 65 3.499 25.611 -5.817 1.00 0.00 H new ATOM 0 HA3 GLY A 65 5.245 25.761 -5.785 1.00 0.00 H new ATOM 1035 N ARG A 66 4.333 27.653 -4.186 1.00 0.00 N ATOM 1036 CA ARG A 66 4.220 28.975 -3.483 1.00 0.00 C ATOM 1037 C ARG A 66 5.330 29.115 -2.444 1.00 0.00 C ATOM 1038 O ARG A 66 5.915 28.134 -2.052 1.00 0.00 O ATOM 1039 CB ARG A 66 2.863 29.032 -2.771 1.00 0.00 C ATOM 1040 CG ARG A 66 2.614 27.696 -2.070 1.00 0.00 C ATOM 1041 CD ARG A 66 1.382 27.819 -1.175 1.00 0.00 C ATOM 1042 NE ARG A 66 0.243 27.112 -1.822 1.00 0.00 N ATOM 1043 CZ ARG A 66 -0.521 26.337 -1.104 1.00 0.00 C ATOM 1044 NH1 ARG A 66 0.033 25.462 -0.311 1.00 0.00 N ATOM 1045 NH2 ARG A 66 -1.816 26.465 -1.202 1.00 0.00 N ATOM 0 H ARG A 66 4.513 26.848 -3.586 1.00 0.00 H new ATOM 0 HA ARG A 66 4.309 29.782 -4.210 1.00 0.00 H new ATOM 0 HB2 ARG A 66 2.852 29.846 -2.046 1.00 0.00 H new ATOM 0 HB3 ARG A 66 2.069 29.234 -3.490 1.00 0.00 H new ATOM 0 HG2 ARG A 66 2.465 26.907 -2.807 1.00 0.00 H new ATOM 0 HG3 ARG A 66 3.484 27.416 -1.475 1.00 0.00 H new ATOM 0 HD2 ARG A 66 1.584 27.389 -0.194 1.00 0.00 H new ATOM 0 HD3 ARG A 66 1.134 28.869 -1.018 1.00 0.00 H new ATOM 0 HE ARG A 66 0.062 27.233 -2.818 1.00 0.00 H new ATOM 0 HH11 ARG A 66 1.049 25.392 -0.260 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -0.550 24.848 0.258 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -2.213 27.162 -1.832 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -2.431 25.868 -0.649 1.00 0.00 H new ATOM 1059 N ILE A 67 5.591 30.336 -1.994 1.00 0.00 N ATOM 1060 CA ILE A 67 6.672 30.516 -0.976 1.00 0.00 C ATOM 1061 C ILE A 67 6.097 30.736 0.417 1.00 0.00 C ATOM 1062 O ILE A 67 5.170 31.499 0.591 1.00 0.00 O ATOM 1063 CB ILE A 67 7.479 31.749 -1.365 1.00 0.00 C ATOM 1064 CG1 ILE A 67 8.399 31.413 -2.525 1.00 0.00 C ATOM 1065 CG2 ILE A 67 8.339 32.180 -0.165 1.00 0.00 C ATOM 1066 CD1 ILE A 67 8.630 32.673 -3.362 1.00 0.00 C ATOM 0 H ILE A 67 5.111 31.188 -2.285 1.00 0.00 H new ATOM 0 HA ILE A 67 7.288 29.617 -0.953 1.00 0.00 H new ATOM 0 HB ILE A 67 6.800 32.551 -1.655 1.00 0.00 H new ATOM 0 HG12 ILE A 67 9.349 31.030 -2.153 1.00 0.00 H new ATOM 0 HG13 ILE A 67 7.958 30.629 -3.140 1.00 0.00 H new ATOM 0 HG21 ILE A 67 8.921 33.062 -0.433 1.00 0.00 H new ATOM 0 HG22 ILE A 67 7.692 32.415 0.680 1.00 0.00 H new ATOM 0 HG23 ILE A 67 9.014 31.369 0.109 1.00 0.00 H new ATOM 0 HD11 ILE A 67 9.290 32.439 -4.197 1.00 0.00 H new ATOM 0 HD12 ILE A 67 7.676 33.036 -3.744 1.00 0.00 H new ATOM 0 HD13 ILE A 67 9.089 33.443 -2.742 1.00 0.00 H new ATOM 1078 N THR A 68 6.677 30.070 1.396 1.00 0.00 N ATOM 1079 CA THR A 68 6.189 30.225 2.750 1.00 0.00 C ATOM 1080 C THR A 68 7.241 29.749 3.720 1.00 0.00 C ATOM 1081 O THR A 68 7.245 28.614 4.137 1.00 0.00 O ATOM 1082 CB THR A 68 4.940 29.363 2.931 1.00 0.00 C ATOM 1083 OG1 THR A 68 5.172 28.198 2.169 1.00 0.00 O ATOM 1084 CG2 THR A 68 3.712 30.014 2.278 1.00 0.00 C ATOM 0 H THR A 68 7.466 29.433 1.285 1.00 0.00 H new ATOM 0 HA THR A 68 5.958 31.274 2.935 1.00 0.00 H new ATOM 0 HB THR A 68 4.761 29.204 3.994 1.00 0.00 H new ATOM 0 HG1 THR A 68 5.992 27.761 2.481 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.841 29.376 2.425 1.00 0.00 H new ATOM 0 HG22 THR A 68 3.530 30.987 2.734 1.00 0.00 H new ATOM 0 HG23 THR A 68 3.892 30.142 1.211 1.00 0.00 H new ATOM 1092 N TYR A 69 8.092 30.670 4.018 1.00 0.00 N ATOM 1093 CA TYR A 69 9.256 30.480 4.975 1.00 0.00 C ATOM 1094 C TYR A 69 10.526 30.821 4.241 1.00 0.00 C ATOM 1095 O TYR A 69 10.686 30.442 3.100 1.00 0.00 O ATOM 1096 CB TYR A 69 9.348 29.030 5.502 1.00 0.00 C ATOM 1097 CG TYR A 69 10.549 28.915 6.445 1.00 0.00 C ATOM 1098 CD1 TYR A 69 10.565 29.602 7.643 1.00 0.00 C ATOM 1099 CD2 TYR A 69 11.626 28.120 6.117 1.00 0.00 C ATOM 1100 CE1 TYR A 69 11.643 29.493 8.500 1.00 0.00 C ATOM 1101 CE2 TYR A 69 12.705 28.011 6.974 1.00 0.00 C ATOM 1102 CZ TYR A 69 12.720 28.698 8.171 1.00 0.00 C ATOM 1103 OH TYR A 69 13.795 28.585 9.030 1.00 0.00 O ATOM 0 H TYR A 69 8.044 31.610 3.625 1.00 0.00 H new ATOM 0 HA TYR A 69 9.105 31.131 5.836 1.00 0.00 H new ATOM 0 HB2 TYR A 69 8.431 28.762 6.027 1.00 0.00 H new ATOM 0 HB3 TYR A 69 9.455 28.334 4.670 1.00 0.00 H new ATOM 0 HD1 TYR A 69 9.728 30.229 7.912 1.00 0.00 H new ATOM 0 HD2 TYR A 69 11.627 27.578 5.183 1.00 0.00 H new ATOM 0 HE1 TYR A 69 11.642 30.035 9.434 1.00 0.00 H new ATOM 0 HE2 TYR A 69 13.542 27.384 6.705 1.00 0.00 H new ATOM 0 HH TYR A 69 14.463 27.984 8.640 1.00 0.00 H new ATOM 1113 N ARG A 70 11.424 31.530 4.881 1.00 0.00 N ATOM 1114 CA ARG A 70 12.659 31.867 4.166 1.00 0.00 C ATOM 1115 C ARG A 70 13.840 32.112 5.078 1.00 0.00 C ATOM 1116 O ARG A 70 13.689 32.410 6.248 1.00 0.00 O ATOM 1117 CB ARG A 70 12.395 33.119 3.313 1.00 0.00 C ATOM 1118 CG ARG A 70 12.184 34.336 4.216 1.00 0.00 C ATOM 1119 CD ARG A 70 10.702 34.446 4.585 1.00 0.00 C ATOM 1120 NE ARG A 70 10.493 35.700 5.365 1.00 0.00 N ATOM 1121 CZ ARG A 70 9.308 36.246 5.399 1.00 0.00 C ATOM 1122 NH1 ARG A 70 8.450 35.837 6.292 1.00 0.00 N ATOM 1123 NH2 ARG A 70 9.020 37.184 4.538 1.00 0.00 N ATOM 0 H ARG A 70 11.347 31.874 5.838 1.00 0.00 H new ATOM 0 HA ARG A 70 12.927 31.009 3.550 1.00 0.00 H new ATOM 0 HB2 ARG A 70 13.236 33.296 2.642 1.00 0.00 H new ATOM 0 HB3 ARG A 70 11.516 32.964 2.688 1.00 0.00 H new ATOM 0 HG2 ARG A 70 12.789 34.242 5.118 1.00 0.00 H new ATOM 0 HG3 ARG A 70 12.511 35.242 3.706 1.00 0.00 H new ATOM 0 HD2 ARG A 70 10.088 34.455 3.684 1.00 0.00 H new ATOM 0 HD3 ARG A 70 10.394 33.581 5.172 1.00 0.00 H new ATOM 0 HE ARG A 70 11.270 36.128 5.868 1.00 0.00 H new ATOM 0 HH11 ARG A 70 8.710 35.102 6.949 1.00 0.00 H new ATOM 0 HH12 ARG A 70 7.519 36.253 6.333 1.00 0.00 H new ATOM 0 HH21 ARG A 70 9.716 37.479 3.853 1.00 0.00 H new ATOM 0 HH22 ARG A 70 8.099 37.622 4.550 1.00 0.00 H new ATOM 1137 N ALA A 71 15.006 31.957 4.502 1.00 0.00 N ATOM 1138 CA ALA A 71 16.246 32.161 5.255 1.00 0.00 C ATOM 1139 C ALA A 71 17.063 33.294 4.638 1.00 0.00 C ATOM 1140 O ALA A 71 17.166 33.412 3.413 1.00 0.00 O ATOM 1141 CB ALA A 71 17.058 30.861 5.190 1.00 0.00 C ATOM 0 H ALA A 71 15.136 31.693 3.525 1.00 0.00 H new ATOM 0 HA ALA A 71 16.012 32.424 6.287 1.00 0.00 H new ATOM 0 HB1 ALA A 71 17.989 30.985 5.744 1.00 0.00 H new ATOM 0 HB2 ALA A 71 16.480 30.048 5.630 1.00 0.00 H new ATOM 0 HB3 ALA A 71 17.283 30.624 4.150 1.00 0.00 H new ATOM 1147 N ARG A 72 17.621 34.110 5.495 1.00 0.00 N ATOM 1148 CA ARG A 72 18.437 35.248 5.013 1.00 0.00 C ATOM 1149 C ARG A 72 19.769 34.762 4.459 1.00 0.00 C ATOM 1150 O ARG A 72 20.764 35.072 5.095 1.00 0.00 O ATOM 1151 CB ARG A 72 18.706 36.175 6.211 1.00 0.00 C ATOM 1152 CG ARG A 72 19.282 37.502 5.714 1.00 0.00 C ATOM 1153 CD ARG A 72 19.675 38.357 6.923 1.00 0.00 C ATOM 1154 NE ARG A 72 19.659 39.795 6.532 1.00 0.00 N ATOM 1155 CZ ARG A 72 18.798 40.600 7.092 1.00 0.00 C ATOM 1156 NH1 ARG A 72 17.559 40.579 6.684 1.00 0.00 N ATOM 1157 NH2 ARG A 72 19.204 41.397 8.043 1.00 0.00 N ATOM 1158 OXT ARG A 72 19.721 34.106 3.432 1.00 0.00 O ATOM 0 H ARG A 72 17.542 34.031 6.509 1.00 0.00 H new ATOM 0 HA ARG A 72 17.902 35.768 4.219 1.00 0.00 H new ATOM 0 HB2 ARG A 72 17.782 36.352 6.762 1.00 0.00 H new ATOM 0 HB3 ARG A 72 19.403 35.700 6.902 1.00 0.00 H new ATOM 0 HG2 ARG A 72 20.151 37.322 5.081 1.00 0.00 H new ATOM 0 HG3 ARG A 72 18.547 38.027 5.104 1.00 0.00 H new ATOM 0 HD2 ARG A 72 18.982 38.184 7.747 1.00 0.00 H new ATOM 0 HD3 ARG A 72 20.667 38.075 7.276 1.00 0.00 H new ATOM 0 HE ARG A 72 20.314 40.146 5.834 1.00 0.00 H new ATOM 0 HH11 ARG A 72 17.278 39.941 5.940 1.00 0.00 H new ATOM 0 HH12 ARG A 72 16.871 41.201 7.109 1.00 0.00 H new ATOM 0 HH21 ARG A 72 20.181 41.384 8.337 1.00 0.00 H new ATOM 0 HH22 ARG A 72 18.545 42.033 8.492 1.00 0.00 H new