USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=17 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 82:sc= -0.895! 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= 0.00606 USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -0.236 X(o=-0.24,f=-0.024) USER MOD Single : A 30 HIS : no HE2:sc= -1.28! C(o=-1.3!,f=-5.9!) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.211 USER MOD Single : A 35 HIS :FLIP no HD1:sc= -0.151 F(o=-1.8,f=-0.15) USER MOD Single : A 37 SER OG : rot 180:sc= -0.343 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl -154:sc=-0.00314 (180deg=-0.213) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN :FLIP amide:sc= -0.997 F(o=-3.7!,f=-1) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.334 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot -98:sc= -0.0397 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= -0.102 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 60:sc= 0.127 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 77 N SER A 6 1.399 16.992 -2.608 1.00 0.00 N ATOM 78 CA SER A 6 2.384 18.103 -2.681 1.00 0.00 C ATOM 79 C SER A 6 3.668 17.729 -1.956 1.00 0.00 C ATOM 80 O SER A 6 3.749 16.689 -1.335 1.00 0.00 O ATOM 81 CB SER A 6 1.770 19.337 -2.002 1.00 0.00 C ATOM 82 OG SER A 6 2.887 20.160 -1.701 1.00 0.00 O ATOM 0 HA SER A 6 2.619 18.308 -3.725 1.00 0.00 H new ATOM 0 HB2 SER A 6 1.067 19.846 -2.661 1.00 0.00 H new ATOM 0 HB3 SER A 6 1.222 19.064 -1.100 1.00 0.00 H new ATOM 0 HG SER A 6 3.145 20.666 -2.500 1.00 0.00 H new ATOM 88 N PHE A 7 4.653 18.584 -2.047 1.00 0.00 N ATOM 89 CA PHE A 7 5.941 18.284 -1.362 1.00 0.00 C ATOM 90 C PHE A 7 6.590 19.554 -0.843 1.00 0.00 C ATOM 91 O PHE A 7 6.057 20.630 -1.004 1.00 0.00 O ATOM 92 CB PHE A 7 6.885 17.625 -2.377 1.00 0.00 C ATOM 93 CG PHE A 7 7.873 16.720 -1.640 1.00 0.00 C ATOM 94 CD1 PHE A 7 7.507 15.440 -1.261 1.00 0.00 C ATOM 95 CD2 PHE A 7 9.153 17.165 -1.351 1.00 0.00 C ATOM 96 CE1 PHE A 7 8.403 14.623 -0.606 1.00 0.00 C ATOM 97 CE2 PHE A 7 10.046 16.343 -0.696 1.00 0.00 C ATOM 98 CZ PHE A 7 9.671 15.074 -0.325 1.00 0.00 C ATOM 0 H PHE A 7 4.621 19.465 -2.559 1.00 0.00 H new ATOM 0 HA PHE A 7 5.748 17.624 -0.517 1.00 0.00 H new ATOM 0 HB2 PHE A 7 6.312 17.044 -3.099 1.00 0.00 H new ATOM 0 HB3 PHE A 7 7.424 18.389 -2.938 1.00 0.00 H new ATOM 0 HD1 PHE A 7 6.513 15.079 -1.480 1.00 0.00 H new ATOM 0 HD2 PHE A 7 9.453 18.161 -1.640 1.00 0.00 H new ATOM 0 HE1 PHE A 7 8.108 13.626 -0.313 1.00 0.00 H new ATOM 0 HE2 PHE A 7 11.042 16.697 -0.474 1.00 0.00 H new ATOM 0 HZ PHE A 7 10.372 14.431 0.187 1.00 0.00 H new ATOM 108 N GLU A 8 7.738 19.399 -0.223 1.00 0.00 N ATOM 109 CA GLU A 8 8.453 20.586 0.322 1.00 0.00 C ATOM 110 C GLU A 8 9.925 20.558 -0.069 1.00 0.00 C ATOM 111 O GLU A 8 10.576 19.535 0.017 1.00 0.00 O ATOM 112 CB GLU A 8 8.354 20.550 1.857 1.00 0.00 C ATOM 113 CG GLU A 8 6.881 20.504 2.266 1.00 0.00 C ATOM 114 CD GLU A 8 6.161 21.735 1.712 1.00 0.00 C ATOM 115 OE1 GLU A 8 6.775 22.790 1.764 1.00 0.00 O ATOM 116 OE2 GLU A 8 5.040 21.554 1.269 1.00 0.00 O ATOM 0 H GLU A 8 8.204 18.504 -0.074 1.00 0.00 H new ATOM 0 HA GLU A 8 7.998 21.490 -0.082 1.00 0.00 H new ATOM 0 HB2 GLU A 8 8.879 19.678 2.247 1.00 0.00 H new ATOM 0 HB3 GLU A 8 8.835 21.429 2.285 1.00 0.00 H new ATOM 0 HG2 GLU A 8 6.415 19.595 1.886 1.00 0.00 H new ATOM 0 HG3 GLU A 8 6.794 20.477 3.352 1.00 0.00 H new ATOM 123 N MET A 9 10.422 21.686 -0.490 1.00 0.00 N ATOM 124 CA MET A 9 11.846 21.755 -0.892 1.00 0.00 C ATOM 125 C MET A 9 12.324 23.200 -0.882 1.00 0.00 C ATOM 126 O MET A 9 11.650 24.082 -1.374 1.00 0.00 O ATOM 127 CB MET A 9 11.981 21.195 -2.318 1.00 0.00 C ATOM 128 CG MET A 9 13.295 20.411 -2.430 1.00 0.00 C ATOM 129 SD MET A 9 13.331 18.743 -1.728 1.00 0.00 S ATOM 130 CE MET A 9 15.041 18.341 -2.170 1.00 0.00 C ATOM 0 H MET A 9 9.902 22.560 -0.572 1.00 0.00 H new ATOM 0 HA MET A 9 12.448 21.175 -0.193 1.00 0.00 H new ATOM 0 HB2 MET A 9 11.136 20.546 -2.548 1.00 0.00 H new ATOM 0 HB3 MET A 9 11.966 22.008 -3.044 1.00 0.00 H new ATOM 0 HG2 MET A 9 13.555 20.338 -3.486 1.00 0.00 H new ATOM 0 HG3 MET A 9 14.079 20.996 -1.949 1.00 0.00 H new ATOM 0 HE1 MET A 9 15.279 17.335 -1.824 1.00 0.00 H new ATOM 0 HE2 MET A 9 15.158 18.390 -3.253 1.00 0.00 H new ATOM 0 HE3 MET A 9 15.716 19.056 -1.699 1.00 0.00 H new ATOM 140 N GLU A 10 13.476 23.420 -0.320 1.00 0.00 N ATOM 141 CA GLU A 10 14.008 24.801 -0.271 1.00 0.00 C ATOM 142 C GLU A 10 14.508 25.244 -1.636 1.00 0.00 C ATOM 143 O GLU A 10 14.999 24.446 -2.408 1.00 0.00 O ATOM 144 CB GLU A 10 15.176 24.831 0.719 1.00 0.00 C ATOM 145 CG GLU A 10 14.759 24.106 1.998 1.00 0.00 C ATOM 146 CD GLU A 10 15.992 23.874 2.870 1.00 0.00 C ATOM 147 OE1 GLU A 10 16.431 24.847 3.457 1.00 0.00 O ATOM 148 OE2 GLU A 10 16.426 22.734 2.898 1.00 0.00 O ATOM 0 H GLU A 10 14.068 22.706 0.105 1.00 0.00 H new ATOM 0 HA GLU A 10 13.211 25.477 0.039 1.00 0.00 H new ATOM 0 HB2 GLU A 10 16.052 24.352 0.283 1.00 0.00 H new ATOM 0 HB3 GLU A 10 15.454 25.861 0.943 1.00 0.00 H new ATOM 0 HG2 GLU A 10 14.021 24.697 2.541 1.00 0.00 H new ATOM 0 HG3 GLU A 10 14.288 23.154 1.753 1.00 0.00 H new ATOM 155 N GLY A 11 14.378 26.512 -1.914 1.00 0.00 N ATOM 156 CA GLY A 11 14.845 27.017 -3.232 1.00 0.00 C ATOM 157 C GLY A 11 15.130 28.510 -3.131 1.00 0.00 C ATOM 158 O GLY A 11 14.588 29.181 -2.276 1.00 0.00 O ATOM 0 H GLY A 11 13.973 27.212 -1.292 1.00 0.00 H new ATOM 0 HA2 GLY A 11 15.745 26.484 -3.540 1.00 0.00 H new ATOM 0 HA3 GLY A 11 14.088 26.831 -3.994 1.00 0.00 H new ATOM 162 N THR A 12 15.967 29.006 -4.004 1.00 0.00 N ATOM 163 CA THR A 12 16.282 30.457 -3.954 1.00 0.00 C ATOM 164 C THR A 12 15.408 31.188 -4.948 1.00 0.00 C ATOM 165 O THR A 12 15.082 30.648 -5.972 1.00 0.00 O ATOM 166 CB THR A 12 17.755 30.656 -4.323 1.00 0.00 C ATOM 167 OG1 THR A 12 18.456 29.655 -3.614 1.00 0.00 O ATOM 168 CG2 THR A 12 18.284 31.977 -3.747 1.00 0.00 C ATOM 0 H THR A 12 16.438 28.476 -4.737 1.00 0.00 H new ATOM 0 HA THR A 12 16.098 30.847 -2.953 1.00 0.00 H new ATOM 0 HB THR A 12 17.872 30.635 -5.406 1.00 0.00 H new ATOM 0 HG1 THR A 12 19.414 29.726 -3.809 1.00 0.00 H new ATOM 0 HG21 THR A 12 19.332 32.099 -4.020 1.00 0.00 H new ATOM 0 HG22 THR A 12 17.704 32.808 -4.150 1.00 0.00 H new ATOM 0 HG23 THR A 12 18.192 31.963 -2.661 1.00 0.00 H new ATOM 176 N VAL A 13 15.078 32.421 -4.652 1.00 0.00 N ATOM 177 CA VAL A 13 14.186 33.197 -5.630 1.00 0.00 C ATOM 178 C VAL A 13 14.891 34.244 -6.448 1.00 0.00 C ATOM 179 O VAL A 13 15.181 35.289 -5.953 1.00 0.00 O ATOM 180 CB VAL A 13 13.145 33.966 -4.824 1.00 0.00 C ATOM 181 CG1 VAL A 13 12.186 34.662 -5.793 1.00 0.00 C ATOM 182 CG2 VAL A 13 12.359 32.980 -3.949 1.00 0.00 C ATOM 0 H VAL A 13 15.364 32.926 -3.814 1.00 0.00 H new ATOM 0 HA VAL A 13 13.787 32.442 -6.307 1.00 0.00 H new ATOM 0 HB VAL A 13 13.633 34.707 -4.191 1.00 0.00 H new ATOM 0 HG11 VAL A 13 11.436 35.216 -5.228 1.00 0.00 H new ATOM 0 HG12 VAL A 13 12.745 35.351 -6.426 1.00 0.00 H new ATOM 0 HG13 VAL A 13 11.693 33.916 -6.416 1.00 0.00 H new ATOM 0 HG21 VAL A 13 11.612 33.523 -3.369 1.00 0.00 H new ATOM 0 HG22 VAL A 13 11.862 32.246 -4.584 1.00 0.00 H new ATOM 0 HG23 VAL A 13 13.043 32.469 -3.271 1.00 0.00 H new ATOM 192 N VAL A 14 15.094 33.988 -7.729 1.00 0.00 N ATOM 193 CA VAL A 14 15.767 34.995 -8.520 1.00 0.00 C ATOM 194 C VAL A 14 15.307 34.930 -9.977 1.00 0.00 C ATOM 195 O VAL A 14 15.881 34.275 -10.823 1.00 0.00 O ATOM 196 CB VAL A 14 17.270 34.720 -8.444 1.00 0.00 C ATOM 197 CG1 VAL A 14 17.966 35.930 -7.820 1.00 0.00 C ATOM 198 CG2 VAL A 14 17.527 33.480 -7.578 1.00 0.00 C ATOM 0 H VAL A 14 14.818 33.138 -8.221 1.00 0.00 H new ATOM 0 HA VAL A 14 15.533 35.988 -8.135 1.00 0.00 H new ATOM 0 HB VAL A 14 17.661 34.543 -9.446 1.00 0.00 H new ATOM 0 HG11 VAL A 14 19.038 35.743 -7.762 1.00 0.00 H new ATOM 0 HG12 VAL A 14 17.784 36.811 -8.435 1.00 0.00 H new ATOM 0 HG13 VAL A 14 17.572 36.099 -6.818 1.00 0.00 H new ATOM 0 HG21 VAL A 14 18.599 33.288 -7.527 1.00 0.00 H new ATOM 0 HG22 VAL A 14 17.141 33.651 -6.573 1.00 0.00 H new ATOM 0 HG23 VAL A 14 17.025 32.618 -8.018 1.00 0.00 H new ATOM 208 N ASP A 15 14.248 35.607 -10.191 1.00 0.00 N ATOM 209 CA ASP A 15 13.629 35.699 -11.521 1.00 0.00 C ATOM 210 C ASP A 15 12.292 36.406 -11.356 1.00 0.00 C ATOM 211 O ASP A 15 11.612 36.171 -10.379 1.00 0.00 O ATOM 212 CB ASP A 15 13.424 34.306 -12.111 1.00 0.00 C ATOM 213 CG ASP A 15 14.579 33.988 -13.060 1.00 0.00 C ATOM 214 OD1 ASP A 15 14.726 34.746 -14.006 1.00 0.00 O ATOM 215 OD2 ASP A 15 15.246 33.004 -12.790 1.00 0.00 O ATOM 0 H ASP A 15 13.756 36.129 -9.466 1.00 0.00 H new ATOM 0 HA ASP A 15 14.273 36.254 -12.203 1.00 0.00 H new ATOM 0 HB2 ASP A 15 13.377 33.564 -11.314 1.00 0.00 H new ATOM 0 HB3 ASP A 15 12.475 34.260 -12.645 1.00 0.00 H new ATOM 220 N THR A 16 11.925 37.240 -12.285 1.00 0.00 N ATOM 221 CA THR A 16 10.611 37.951 -12.143 1.00 0.00 C ATOM 222 C THR A 16 9.589 37.435 -13.136 1.00 0.00 C ATOM 223 O THR A 16 9.926 37.056 -14.243 1.00 0.00 O ATOM 224 CB THR A 16 10.833 39.438 -12.396 1.00 0.00 C ATOM 225 OG1 THR A 16 11.492 39.513 -13.643 1.00 0.00 O ATOM 226 CG2 THR A 16 11.839 40.018 -11.391 1.00 0.00 C ATOM 0 H THR A 16 12.461 37.463 -13.124 1.00 0.00 H new ATOM 0 HA THR A 16 10.230 37.774 -11.137 1.00 0.00 H new ATOM 0 HB THR A 16 9.883 39.968 -12.335 1.00 0.00 H new ATOM 0 HG1 THR A 16 11.664 40.452 -13.866 1.00 0.00 H new ATOM 0 HG21 THR A 16 11.982 41.080 -11.591 1.00 0.00 H new ATOM 0 HG22 THR A 16 11.458 39.887 -10.378 1.00 0.00 H new ATOM 0 HG23 THR A 16 12.792 39.499 -11.490 1.00 0.00 H new ATOM 234 N LEU A 17 8.349 37.433 -12.709 1.00 0.00 N ATOM 235 CA LEU A 17 7.257 36.954 -13.584 1.00 0.00 C ATOM 236 C LEU A 17 6.122 37.992 -13.620 1.00 0.00 C ATOM 237 O LEU A 17 6.090 38.899 -12.802 1.00 0.00 O ATOM 238 CB LEU A 17 6.740 35.649 -12.993 1.00 0.00 C ATOM 239 CG LEU A 17 7.754 34.544 -13.282 1.00 0.00 C ATOM 240 CD1 LEU A 17 7.201 33.235 -12.768 1.00 0.00 C ATOM 241 CD2 LEU A 17 7.982 34.432 -14.795 1.00 0.00 C ATOM 0 H LEU A 17 8.054 37.747 -11.784 1.00 0.00 H new ATOM 0 HA LEU A 17 7.618 36.803 -14.602 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.592 35.754 -11.918 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.772 35.396 -13.425 1.00 0.00 H new ATOM 0 HG LEU A 17 8.700 34.776 -12.792 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.914 32.435 -12.967 1.00 0.00 H new ATOM 0 HD12 LEU A 17 7.030 33.309 -11.694 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.260 33.015 -13.271 1.00 0.00 H new ATOM 0 HD21 LEU A 17 8.706 33.643 -14.996 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.040 34.194 -15.288 1.00 0.00 H new ATOM 0 HD23 LEU A 17 8.363 35.379 -15.177 1.00 0.00 H new ATOM 253 N PRO A 18 5.157 37.810 -14.522 1.00 0.00 N ATOM 254 CA PRO A 18 4.051 38.747 -14.623 1.00 0.00 C ATOM 255 C PRO A 18 2.850 38.244 -13.852 1.00 0.00 C ATOM 256 O PRO A 18 2.753 37.074 -13.547 1.00 0.00 O ATOM 257 CB PRO A 18 3.699 38.723 -16.122 1.00 0.00 C ATOM 258 CG PRO A 18 4.291 37.392 -16.694 1.00 0.00 C ATOM 259 CD PRO A 18 5.198 36.802 -15.598 1.00 0.00 C ATOM 0 HA PRO A 18 4.310 39.731 -14.232 1.00 0.00 H new ATOM 0 HB2 PRO A 18 2.620 38.762 -16.268 1.00 0.00 H new ATOM 0 HB3 PRO A 18 4.122 39.588 -16.634 1.00 0.00 H new ATOM 0 HG2 PRO A 18 3.495 36.695 -16.954 1.00 0.00 H new ATOM 0 HG3 PRO A 18 4.859 37.581 -17.605 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.831 35.835 -15.254 1.00 0.00 H new ATOM 0 HD3 PRO A 18 6.214 36.647 -15.961 1.00 0.00 H new ATOM 267 N ASN A 19 1.960 39.147 -13.548 1.00 0.00 N ATOM 268 CA ASN A 19 0.752 38.762 -12.792 1.00 0.00 C ATOM 269 C ASN A 19 1.122 38.575 -11.332 1.00 0.00 C ATOM 270 O ASN A 19 0.547 37.760 -10.640 1.00 0.00 O ATOM 271 CB ASN A 19 0.198 37.436 -13.347 1.00 0.00 C ATOM 272 CG ASN A 19 -1.329 37.442 -13.235 1.00 0.00 C ATOM 273 OD1 ASN A 19 -2.020 38.023 -14.048 1.00 0.00 O ATOM 274 ND2 ASN A 19 -1.895 36.808 -12.245 1.00 0.00 N ATOM 0 H ASN A 19 2.023 40.135 -13.794 1.00 0.00 H new ATOM 0 HA ASN A 19 -0.005 39.541 -12.888 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.498 37.310 -14.387 1.00 0.00 H new ATOM 0 HB3 ASN A 19 0.612 36.594 -12.792 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -2.911 36.802 -12.157 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -1.321 36.318 -11.559 1.00 0.00 H new ATOM 281 N THR A 20 2.107 39.338 -10.901 1.00 0.00 N ATOM 282 CA THR A 20 2.564 39.252 -9.493 1.00 0.00 C ATOM 283 C THR A 20 3.131 37.879 -9.197 1.00 0.00 C ATOM 284 O THR A 20 2.581 37.143 -8.401 1.00 0.00 O ATOM 285 CB THR A 20 1.376 39.505 -8.557 1.00 0.00 C ATOM 286 OG1 THR A 20 0.708 40.634 -9.086 1.00 0.00 O ATOM 287 CG2 THR A 20 1.868 39.954 -7.173 1.00 0.00 C ATOM 0 H THR A 20 2.608 40.015 -11.476 1.00 0.00 H new ATOM 0 HA THR A 20 3.340 40.001 -9.336 1.00 0.00 H new ATOM 0 HB THR A 20 0.769 38.603 -8.476 1.00 0.00 H new ATOM 0 HG1 THR A 20 -0.069 40.846 -8.527 1.00 0.00 H new ATOM 0 HG21 THR A 20 1.012 40.129 -6.522 1.00 0.00 H new ATOM 0 HG22 THR A 20 2.499 39.177 -6.742 1.00 0.00 H new ATOM 0 HG23 THR A 20 2.443 40.875 -7.272 1.00 0.00 H new ATOM 295 N MET A 21 4.221 37.546 -9.852 1.00 0.00 N ATOM 296 CA MET A 21 4.828 36.208 -9.604 1.00 0.00 C ATOM 297 C MET A 21 6.350 36.276 -9.568 1.00 0.00 C ATOM 298 O MET A 21 6.947 37.272 -9.926 1.00 0.00 O ATOM 299 CB MET A 21 4.407 35.274 -10.751 1.00 0.00 C ATOM 300 CG MET A 21 2.980 34.778 -10.502 1.00 0.00 C ATOM 301 SD MET A 21 2.389 33.405 -11.526 1.00 0.00 S ATOM 302 CE MET A 21 0.620 33.616 -11.200 1.00 0.00 C ATOM 0 H MET A 21 4.704 38.133 -10.533 1.00 0.00 H new ATOM 0 HA MET A 21 4.482 35.843 -8.637 1.00 0.00 H new ATOM 0 HB2 MET A 21 4.460 35.802 -11.703 1.00 0.00 H new ATOM 0 HB3 MET A 21 5.092 34.429 -10.817 1.00 0.00 H new ATOM 0 HG2 MET A 21 2.905 34.477 -9.457 1.00 0.00 H new ATOM 0 HG3 MET A 21 2.301 35.619 -10.641 1.00 0.00 H new ATOM 0 HE1 MET A 21 0.057 32.858 -11.744 1.00 0.00 H new ATOM 0 HE2 MET A 21 0.432 33.511 -10.132 1.00 0.00 H new ATOM 0 HE3 MET A 21 0.305 34.607 -11.528 1.00 0.00 H new ATOM 312 N PHE A 22 6.942 35.203 -9.126 1.00 0.00 N ATOM 313 CA PHE A 22 8.407 35.139 -9.043 1.00 0.00 C ATOM 314 C PHE A 22 8.829 33.689 -9.237 1.00 0.00 C ATOM 315 O PHE A 22 8.029 32.795 -9.041 1.00 0.00 O ATOM 316 CB PHE A 22 8.853 35.612 -7.644 1.00 0.00 C ATOM 317 CG PHE A 22 8.017 36.825 -7.210 1.00 0.00 C ATOM 318 CD1 PHE A 22 6.766 36.652 -6.640 1.00 0.00 C ATOM 319 CD2 PHE A 22 8.511 38.112 -7.363 1.00 0.00 C ATOM 320 CE1 PHE A 22 6.028 37.745 -6.231 1.00 0.00 C ATOM 321 CE2 PHE A 22 7.766 39.201 -6.953 1.00 0.00 C ATOM 322 CZ PHE A 22 6.528 39.015 -6.389 1.00 0.00 C ATOM 0 H PHE A 22 6.457 34.361 -8.817 1.00 0.00 H new ATOM 0 HA PHE A 22 8.861 35.773 -9.804 1.00 0.00 H new ATOM 0 HB2 PHE A 22 8.737 34.803 -6.923 1.00 0.00 H new ATOM 0 HB3 PHE A 22 9.911 35.875 -7.660 1.00 0.00 H new ATOM 0 HD1 PHE A 22 6.366 35.657 -6.515 1.00 0.00 H new ATOM 0 HD2 PHE A 22 9.484 38.264 -7.806 1.00 0.00 H new ATOM 0 HE1 PHE A 22 5.055 37.601 -5.786 1.00 0.00 H new ATOM 0 HE2 PHE A 22 8.158 40.200 -7.076 1.00 0.00 H new ATOM 0 HZ PHE A 22 5.947 39.867 -6.069 1.00 0.00 H new ATOM 332 N ARG A 23 10.063 33.475 -9.615 1.00 0.00 N ATOM 333 CA ARG A 23 10.530 32.076 -9.823 1.00 0.00 C ATOM 334 C ARG A 23 11.590 31.691 -8.821 1.00 0.00 C ATOM 335 O ARG A 23 12.399 32.516 -8.409 1.00 0.00 O ATOM 336 CB ARG A 23 11.101 31.975 -11.247 1.00 0.00 C ATOM 337 CG ARG A 23 12.333 31.048 -11.270 1.00 0.00 C ATOM 338 CD ARG A 23 12.812 30.867 -12.713 1.00 0.00 C ATOM 339 NE ARG A 23 11.633 30.628 -13.595 1.00 0.00 N ATOM 340 CZ ARG A 23 11.809 30.543 -14.888 1.00 0.00 C ATOM 341 NH1 ARG A 23 11.794 31.636 -15.600 1.00 0.00 N ATOM 342 NH2 ARG A 23 11.997 29.366 -15.425 1.00 0.00 N ATOM 0 H ARG A 23 10.759 34.201 -9.786 1.00 0.00 H new ATOM 0 HA ARG A 23 9.691 31.394 -9.688 1.00 0.00 H new ATOM 0 HB2 ARG A 23 10.338 31.592 -11.925 1.00 0.00 H new ATOM 0 HB3 ARG A 23 11.378 32.966 -11.605 1.00 0.00 H new ATOM 0 HG2 ARG A 23 13.132 31.472 -10.662 1.00 0.00 H new ATOM 0 HG3 ARG A 23 12.081 30.081 -10.836 1.00 0.00 H new ATOM 0 HD2 ARG A 23 13.354 31.753 -13.043 1.00 0.00 H new ATOM 0 HD3 ARG A 23 13.505 30.028 -12.776 1.00 0.00 H new ATOM 0 HE ARG A 23 10.700 30.532 -13.194 1.00 0.00 H new ATOM 0 HH11 ARG A 23 11.647 32.538 -15.147 1.00 0.00 H new ATOM 0 HH12 ARG A 23 11.930 31.589 -16.610 1.00 0.00 H new ATOM 0 HH21 ARG A 23 12.005 28.533 -14.837 1.00 0.00 H new ATOM 0 HH22 ARG A 23 12.136 29.281 -16.432 1.00 0.00 H new ATOM 356 N VAL A 24 11.577 30.428 -8.457 1.00 0.00 N ATOM 357 CA VAL A 24 12.559 29.940 -7.490 1.00 0.00 C ATOM 358 C VAL A 24 13.304 28.784 -8.089 1.00 0.00 C ATOM 359 O VAL A 24 12.716 27.918 -8.705 1.00 0.00 O ATOM 360 CB VAL A 24 11.819 29.511 -6.217 1.00 0.00 C ATOM 361 CG1 VAL A 24 11.155 28.172 -6.439 1.00 0.00 C ATOM 362 CG2 VAL A 24 12.811 29.390 -5.063 1.00 0.00 C ATOM 0 H VAL A 24 10.919 29.728 -8.800 1.00 0.00 H new ATOM 0 HA VAL A 24 13.276 30.721 -7.238 1.00 0.00 H new ATOM 0 HB VAL A 24 11.063 30.259 -5.976 1.00 0.00 H new ATOM 0 HG11 VAL A 24 10.631 27.871 -5.532 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.443 28.251 -7.261 1.00 0.00 H new ATOM 0 HG13 VAL A 24 11.912 27.427 -6.685 1.00 0.00 H new ATOM 0 HG21 VAL A 24 12.283 29.085 -4.160 1.00 0.00 H new ATOM 0 HG22 VAL A 24 13.567 28.645 -5.310 1.00 0.00 H new ATOM 0 HG23 VAL A 24 13.292 30.353 -4.894 1.00 0.00 H new ATOM 372 N GLU A 25 14.588 28.779 -7.898 1.00 0.00 N ATOM 373 CA GLU A 25 15.388 27.685 -8.460 1.00 0.00 C ATOM 374 C GLU A 25 15.611 26.552 -7.491 1.00 0.00 C ATOM 375 O GLU A 25 16.082 26.721 -6.377 1.00 0.00 O ATOM 376 CB GLU A 25 16.754 28.254 -8.866 1.00 0.00 C ATOM 377 CG GLU A 25 16.549 29.397 -9.862 1.00 0.00 C ATOM 378 CD GLU A 25 17.908 29.844 -10.407 1.00 0.00 C ATOM 379 OE1 GLU A 25 18.437 29.100 -11.215 1.00 0.00 O ATOM 380 OE2 GLU A 25 18.338 30.905 -9.986 1.00 0.00 O ATOM 0 H GLU A 25 15.109 29.485 -7.378 1.00 0.00 H new ATOM 0 HA GLU A 25 14.838 27.278 -9.309 1.00 0.00 H new ATOM 0 HB2 GLU A 25 17.287 28.614 -7.986 1.00 0.00 H new ATOM 0 HB3 GLU A 25 17.368 27.472 -9.313 1.00 0.00 H new ATOM 0 HG2 GLU A 25 15.906 29.071 -10.680 1.00 0.00 H new ATOM 0 HG3 GLU A 25 16.047 30.233 -9.375 1.00 0.00 H new ATOM 387 N LEU A 26 15.254 25.430 -7.972 1.00 0.00 N ATOM 388 CA LEU A 26 15.367 24.187 -7.256 1.00 0.00 C ATOM 389 C LEU A 26 16.407 23.455 -8.036 1.00 0.00 C ATOM 390 O LEU A 26 16.322 22.267 -8.265 1.00 0.00 O ATOM 391 CB LEU A 26 14.013 23.453 -7.263 1.00 0.00 C ATOM 392 CG LEU A 26 13.041 24.239 -6.387 1.00 0.00 C ATOM 393 CD1 LEU A 26 11.622 23.708 -6.595 1.00 0.00 C ATOM 394 CD2 LEU A 26 13.444 24.072 -4.917 1.00 0.00 C ATOM 0 H LEU A 26 14.859 25.327 -8.907 1.00 0.00 H new ATOM 0 HA LEU A 26 15.634 24.293 -6.205 1.00 0.00 H new ATOM 0 HB2 LEU A 26 13.629 23.373 -8.280 1.00 0.00 H new ATOM 0 HB3 LEU A 26 14.129 22.437 -6.885 1.00 0.00 H new ATOM 0 HG LEU A 26 13.072 25.294 -6.657 1.00 0.00 H new ATOM 0 HD11 LEU A 26 10.928 24.269 -5.969 1.00 0.00 H new ATOM 0 HD12 LEU A 26 11.341 23.822 -7.642 1.00 0.00 H new ATOM 0 HD13 LEU A 26 11.585 22.653 -6.322 1.00 0.00 H new ATOM 0 HD21 LEU A 26 12.754 24.631 -4.285 1.00 0.00 H new ATOM 0 HD22 LEU A 26 13.409 23.016 -4.648 1.00 0.00 H new ATOM 0 HD23 LEU A 26 14.456 24.450 -4.772 1.00 0.00 H new ATOM 406 N GLU A 27 17.354 24.286 -8.523 1.00 0.00 N ATOM 407 CA GLU A 27 18.501 23.810 -9.350 1.00 0.00 C ATOM 408 C GLU A 27 19.018 22.488 -8.905 1.00 0.00 C ATOM 409 O GLU A 27 19.895 21.930 -9.535 1.00 0.00 O ATOM 410 CB GLU A 27 19.633 24.843 -9.235 1.00 0.00 C ATOM 411 CG GLU A 27 20.117 24.900 -7.784 1.00 0.00 C ATOM 412 CD GLU A 27 21.617 24.595 -7.737 1.00 0.00 C ATOM 413 OE1 GLU A 27 22.366 25.521 -8.003 1.00 0.00 O ATOM 414 OE2 GLU A 27 21.929 23.454 -7.438 1.00 0.00 O ATOM 0 H GLU A 27 17.353 25.293 -8.361 1.00 0.00 H new ATOM 0 HA GLU A 27 18.152 23.697 -10.376 1.00 0.00 H new ATOM 0 HB2 GLU A 27 20.457 24.572 -9.895 1.00 0.00 H new ATOM 0 HB3 GLU A 27 19.280 25.824 -9.552 1.00 0.00 H new ATOM 0 HG2 GLU A 27 19.922 25.886 -7.362 1.00 0.00 H new ATOM 0 HG3 GLU A 27 19.569 24.179 -7.177 1.00 0.00 H new ATOM 421 N ASN A 28 18.513 21.997 -7.838 1.00 0.00 N ATOM 422 CA ASN A 28 18.984 20.702 -7.398 1.00 0.00 C ATOM 423 C ASN A 28 18.406 19.717 -8.430 1.00 0.00 C ATOM 424 O ASN A 28 18.207 18.547 -8.166 1.00 0.00 O ATOM 425 CB ASN A 28 18.414 20.390 -6.004 1.00 0.00 C ATOM 426 CG ASN A 28 19.244 21.118 -4.943 1.00 0.00 C ATOM 427 OD1 ASN A 28 18.728 21.889 -4.157 1.00 0.00 O ATOM 428 ND2 ASN A 28 20.531 20.904 -4.884 1.00 0.00 N ATOM 0 H ASN A 28 17.799 22.437 -7.258 1.00 0.00 H new ATOM 0 HA ASN A 28 20.070 20.649 -7.329 1.00 0.00 H new ATOM 0 HB2 ASN A 28 17.372 20.705 -5.946 1.00 0.00 H new ATOM 0 HB3 ASN A 28 18.433 19.315 -5.823 1.00 0.00 H new ATOM 0 HD21 ASN A 28 21.096 21.382 -4.182 1.00 0.00 H new ATOM 0 HD22 ASN A 28 20.971 20.259 -5.540 1.00 0.00 H new ATOM 435 N GLY A 29 18.157 20.278 -9.623 1.00 0.00 N ATOM 436 CA GLY A 29 17.596 19.509 -10.753 1.00 0.00 C ATOM 437 C GLY A 29 16.183 20.043 -11.142 1.00 0.00 C ATOM 438 O GLY A 29 15.659 19.664 -12.173 1.00 0.00 O ATOM 0 H GLY A 29 18.334 21.260 -9.834 1.00 0.00 H new ATOM 0 HA2 GLY A 29 18.264 19.577 -11.612 1.00 0.00 H new ATOM 0 HA3 GLY A 29 17.529 18.455 -10.483 1.00 0.00 H new ATOM 442 N HIS A 30 15.590 20.917 -10.306 1.00 0.00 N ATOM 443 CA HIS A 30 14.219 21.456 -10.647 1.00 0.00 C ATOM 444 C HIS A 30 14.136 23.013 -10.680 1.00 0.00 C ATOM 445 O HIS A 30 14.947 23.699 -10.111 1.00 0.00 O ATOM 446 CB HIS A 30 13.236 20.942 -9.581 1.00 0.00 C ATOM 447 CG HIS A 30 13.177 19.410 -9.637 1.00 0.00 C ATOM 448 ND1 HIS A 30 13.676 18.708 -10.541 1.00 0.00 N ATOM 449 CD2 HIS A 30 12.602 18.516 -8.753 1.00 0.00 C ATOM 450 CE1 HIS A 30 13.485 17.471 -10.329 1.00 0.00 C ATOM 451 NE2 HIS A 30 12.804 17.247 -9.207 1.00 0.00 N ATOM 0 H HIS A 30 15.993 21.261 -9.434 1.00 0.00 H new ATOM 0 HA HIS A 30 13.979 21.111 -11.653 1.00 0.00 H new ATOM 0 HB2 HIS A 30 13.553 21.269 -8.591 1.00 0.00 H new ATOM 0 HB3 HIS A 30 12.245 21.361 -9.753 1.00 0.00 H new ATOM 0 HD1 HIS A 30 14.175 19.082 -11.349 1.00 0.00 H new ATOM 0 HD2 HIS A 30 12.077 18.781 -7.847 1.00 0.00 H new ATOM 0 HE1 HIS A 30 13.836 16.688 -10.985 1.00 0.00 H new ATOM 459 N VAL A 31 13.176 23.506 -11.424 1.00 0.00 N ATOM 460 CA VAL A 31 12.957 24.994 -11.548 1.00 0.00 C ATOM 461 C VAL A 31 11.459 25.233 -11.275 1.00 0.00 C ATOM 462 O VAL A 31 10.661 24.375 -11.599 1.00 0.00 O ATOM 463 CB VAL A 31 13.308 25.431 -12.987 1.00 0.00 C ATOM 464 CG1 VAL A 31 12.082 25.274 -13.893 1.00 0.00 C ATOM 465 CG2 VAL A 31 13.744 26.899 -12.973 1.00 0.00 C ATOM 0 H VAL A 31 12.522 22.937 -11.961 1.00 0.00 H new ATOM 0 HA VAL A 31 13.577 25.560 -10.853 1.00 0.00 H new ATOM 0 HB VAL A 31 14.117 24.807 -13.368 1.00 0.00 H new ATOM 0 HG11 VAL A 31 12.336 25.584 -14.907 1.00 0.00 H new ATOM 0 HG12 VAL A 31 11.767 24.231 -13.901 1.00 0.00 H new ATOM 0 HG13 VAL A 31 11.270 25.896 -13.517 1.00 0.00 H new ATOM 0 HG21 VAL A 31 13.993 27.214 -13.986 1.00 0.00 H new ATOM 0 HG22 VAL A 31 12.931 27.516 -12.591 1.00 0.00 H new ATOM 0 HG23 VAL A 31 14.618 27.013 -12.332 1.00 0.00 H new ATOM 475 N VAL A 32 11.064 26.347 -10.684 1.00 0.00 N ATOM 476 CA VAL A 32 9.604 26.512 -10.448 1.00 0.00 C ATOM 477 C VAL A 32 9.184 27.957 -10.432 1.00 0.00 C ATOM 478 O VAL A 32 9.990 28.864 -10.509 1.00 0.00 O ATOM 479 CB VAL A 32 9.283 25.901 -9.085 1.00 0.00 C ATOM 480 CG1 VAL A 32 7.809 26.059 -8.756 1.00 0.00 C ATOM 481 CG2 VAL A 32 9.618 24.405 -9.092 1.00 0.00 C ATOM 0 H VAL A 32 11.665 27.110 -10.372 1.00 0.00 H new ATOM 0 HA VAL A 32 9.067 26.022 -11.260 1.00 0.00 H new ATOM 0 HB VAL A 32 9.880 26.421 -8.336 1.00 0.00 H new ATOM 0 HG11 VAL A 32 7.604 25.616 -7.781 1.00 0.00 H new ATOM 0 HG12 VAL A 32 7.552 27.118 -8.735 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.211 25.556 -9.516 1.00 0.00 H new ATOM 0 HG21 VAL A 32 9.387 23.976 -8.117 1.00 0.00 H new ATOM 0 HG22 VAL A 32 9.027 23.903 -9.859 1.00 0.00 H new ATOM 0 HG23 VAL A 32 10.678 24.271 -9.305 1.00 0.00 H new ATOM 491 N THR A 33 7.916 28.118 -10.327 1.00 0.00 N ATOM 492 CA THR A 33 7.311 29.456 -10.291 1.00 0.00 C ATOM 493 C THR A 33 6.522 29.557 -9.017 1.00 0.00 C ATOM 494 O THR A 33 5.796 28.638 -8.686 1.00 0.00 O ATOM 495 CB THR A 33 6.365 29.607 -11.473 1.00 0.00 C ATOM 496 OG1 THR A 33 7.139 30.190 -12.501 1.00 0.00 O ATOM 497 CG2 THR A 33 5.278 30.646 -11.165 1.00 0.00 C ATOM 0 H THR A 33 7.247 27.351 -10.262 1.00 0.00 H new ATOM 0 HA THR A 33 8.076 30.231 -10.340 1.00 0.00 H new ATOM 0 HB THR A 33 5.916 28.644 -11.716 1.00 0.00 H new ATOM 0 HG1 THR A 33 6.583 30.313 -13.299 1.00 0.00 H new ATOM 0 HG21 THR A 33 4.611 30.740 -12.022 1.00 0.00 H new ATOM 0 HG22 THR A 33 4.706 30.327 -10.294 1.00 0.00 H new ATOM 0 HG23 THR A 33 5.744 31.610 -10.960 1.00 0.00 H new ATOM 505 N ALA A 34 6.659 30.646 -8.306 1.00 0.00 N ATOM 506 CA ALA A 34 5.891 30.759 -7.043 1.00 0.00 C ATOM 507 C ALA A 34 5.308 32.134 -6.835 1.00 0.00 C ATOM 508 O ALA A 34 5.520 33.042 -7.614 1.00 0.00 O ATOM 509 CB ALA A 34 6.843 30.454 -5.878 1.00 0.00 C ATOM 0 H ALA A 34 7.254 31.440 -8.541 1.00 0.00 H new ATOM 0 HA ALA A 34 5.060 30.055 -7.093 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.301 30.531 -4.935 1.00 0.00 H new ATOM 0 HB2 ALA A 34 7.240 29.445 -5.987 1.00 0.00 H new ATOM 0 HB3 ALA A 34 7.665 31.170 -5.883 1.00 0.00 H new ATOM 515 N HIS A 35 4.571 32.245 -5.770 1.00 0.00 N ATOM 516 CA HIS A 35 3.933 33.527 -5.432 1.00 0.00 C ATOM 517 C HIS A 35 4.077 33.765 -3.940 1.00 0.00 C ATOM 518 O HIS A 35 4.081 32.825 -3.162 1.00 0.00 O ATOM 519 CB HIS A 35 2.436 33.430 -5.787 1.00 0.00 C ATOM 520 CG HIS A 35 1.754 34.773 -5.513 1.00 0.00 C ATOM 521 ND1 HIS A 35 2.287 36.045 -5.506 1.00 0.00 N flip ATOM 522 CD2 HIS A 35 0.541 34.919 -5.252 1.00 0.00 C flip ATOM 523 CE1 HIS A 35 1.301 36.941 -5.222 1.00 0.00 C flip ATOM 524 NE2 HIS A 35 0.246 36.139 -5.080 1.00 0.00 N flip ATOM 0 H HIS A 35 4.385 31.486 -5.114 1.00 0.00 H new ATOM 0 HA HIS A 35 4.399 34.345 -5.982 1.00 0.00 H new ATOM 0 HB2 HIS A 35 2.318 33.158 -6.836 1.00 0.00 H new ATOM 0 HB3 HIS A 35 1.963 32.644 -5.199 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -0.167 34.107 -5.182 1.00 0.00 H new ATOM 0 HE1 HIS A 35 1.359 38.016 -5.135 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -0.693 36.470 -4.858 1.00 0.00 H new ATOM 532 N ILE A 36 4.204 34.994 -3.556 1.00 0.00 N ATOM 533 CA ILE A 36 4.348 35.273 -2.113 1.00 0.00 C ATOM 534 C ILE A 36 2.999 35.174 -1.409 1.00 0.00 C ATOM 535 O ILE A 36 1.976 35.501 -1.976 1.00 0.00 O ATOM 536 CB ILE A 36 4.892 36.695 -1.952 1.00 0.00 C ATOM 537 CG1 ILE A 36 5.247 36.962 -0.494 1.00 0.00 C ATOM 538 CG2 ILE A 36 3.795 37.683 -2.378 1.00 0.00 C ATOM 539 CD1 ILE A 36 5.971 38.311 -0.389 1.00 0.00 C ATOM 0 H ILE A 36 4.214 35.809 -4.170 1.00 0.00 H new ATOM 0 HA ILE A 36 5.026 34.543 -1.669 1.00 0.00 H new ATOM 0 HB ILE A 36 5.785 36.813 -2.565 1.00 0.00 H new ATOM 0 HG12 ILE A 36 4.344 36.972 0.116 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.882 36.164 -0.110 1.00 0.00 H new ATOM 0 HG21 ILE A 36 4.163 38.703 -2.271 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.526 37.502 -3.419 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.917 37.546 -1.747 1.00 0.00 H new ATOM 0 HD11 ILE A 36 6.227 38.506 0.652 1.00 0.00 H new ATOM 0 HD12 ILE A 36 6.882 38.283 -0.987 1.00 0.00 H new ATOM 0 HD13 ILE A 36 5.319 39.103 -0.757 1.00 0.00 H new ATOM 551 N SER A 37 3.021 34.721 -0.187 1.00 0.00 N ATOM 552 CA SER A 37 1.754 34.594 0.564 1.00 0.00 C ATOM 553 C SER A 37 1.229 35.957 0.984 1.00 0.00 C ATOM 554 O SER A 37 1.962 36.926 1.013 1.00 0.00 O ATOM 555 CB SER A 37 2.021 33.761 1.827 1.00 0.00 C ATOM 556 OG SER A 37 0.766 33.727 2.492 1.00 0.00 O ATOM 0 H SER A 37 3.860 34.436 0.318 1.00 0.00 H new ATOM 0 HA SER A 37 1.012 34.117 -0.076 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.367 32.758 1.577 1.00 0.00 H new ATOM 0 HB3 SER A 37 2.790 34.217 2.450 1.00 0.00 H new ATOM 0 HG SER A 37 0.848 33.207 3.318 1.00 0.00 H new ATOM 562 N GLY A 38 -0.034 36.010 1.303 1.00 0.00 N ATOM 563 CA GLY A 38 -0.625 37.309 1.725 1.00 0.00 C ATOM 564 C GLY A 38 -0.264 37.603 3.180 1.00 0.00 C ATOM 565 O GLY A 38 0.127 38.705 3.516 1.00 0.00 O ATOM 0 H GLY A 38 -0.677 35.218 1.290 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -0.259 38.110 1.083 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -1.709 37.279 1.610 1.00 0.00 H new ATOM 569 N LYS A 39 -0.398 36.610 4.018 1.00 0.00 N ATOM 570 CA LYS A 39 -0.067 36.816 5.448 1.00 0.00 C ATOM 571 C LYS A 39 1.285 37.497 5.590 1.00 0.00 C ATOM 572 O LYS A 39 1.418 38.480 6.290 1.00 0.00 O ATOM 573 CB LYS A 39 -0.005 35.445 6.137 1.00 0.00 C ATOM 574 CG LYS A 39 -1.428 34.953 6.407 1.00 0.00 C ATOM 575 CD LYS A 39 -1.367 33.516 6.922 1.00 0.00 C ATOM 576 CE LYS A 39 -0.725 33.509 8.313 1.00 0.00 C ATOM 577 NZ LYS A 39 -1.571 32.752 9.275 1.00 0.00 N ATOM 0 H LYS A 39 -0.720 35.674 3.772 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.830 37.447 5.905 1.00 0.00 H new ATOM 0 HB2 LYS A 39 0.526 34.732 5.507 1.00 0.00 H new ATOM 0 HB3 LYS A 39 0.550 35.519 7.072 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -1.916 35.595 7.140 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -2.023 35.001 5.495 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -2.369 33.090 6.968 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -0.788 32.895 6.238 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.266 33.059 8.260 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -0.592 34.532 8.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -1.121 32.758 10.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -2.508 33.198 9.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -1.676 31.771 8.947 1.00 0.00 H new ATOM 591 N MET A 40 2.269 36.962 4.921 1.00 0.00 N ATOM 592 CA MET A 40 3.615 37.568 5.005 1.00 0.00 C ATOM 593 C MET A 40 3.592 38.999 4.483 1.00 0.00 C ATOM 594 O MET A 40 4.280 39.861 4.992 1.00 0.00 O ATOM 595 CB MET A 40 4.576 36.740 4.138 1.00 0.00 C ATOM 596 CG MET A 40 4.687 35.327 4.714 1.00 0.00 C ATOM 597 SD MET A 40 6.111 34.332 4.204 1.00 0.00 S ATOM 598 CE MET A 40 5.861 32.960 5.358 1.00 0.00 C ATOM 0 H MET A 40 2.195 36.137 4.325 1.00 0.00 H new ATOM 0 HA MET A 40 3.939 37.578 6.046 1.00 0.00 H new ATOM 0 HB2 MET A 40 4.214 36.699 3.111 1.00 0.00 H new ATOM 0 HB3 MET A 40 5.558 37.212 4.111 1.00 0.00 H new ATOM 0 HG2 MET A 40 4.703 35.406 5.801 1.00 0.00 H new ATOM 0 HG3 MET A 40 3.782 34.782 4.447 1.00 0.00 H new ATOM 0 HE1 MET A 40 6.816 32.473 5.557 1.00 0.00 H new ATOM 0 HE2 MET A 40 5.446 33.341 6.291 1.00 0.00 H new ATOM 0 HE3 MET A 40 5.170 32.239 4.922 1.00 0.00 H new ATOM 608 N ARG A 41 2.794 39.224 3.474 1.00 0.00 N ATOM 609 CA ARG A 41 2.705 40.589 2.898 1.00 0.00 C ATOM 610 C ARG A 41 2.309 41.608 3.962 1.00 0.00 C ATOM 611 O ARG A 41 2.823 42.709 3.996 1.00 0.00 O ATOM 612 CB ARG A 41 1.628 40.579 1.805 1.00 0.00 C ATOM 613 CG ARG A 41 2.148 41.328 0.579 1.00 0.00 C ATOM 614 CD ARG A 41 0.958 41.808 -0.253 1.00 0.00 C ATOM 615 NE ARG A 41 0.218 40.622 -0.769 1.00 0.00 N ATOM 616 CZ ARG A 41 -0.850 40.801 -1.495 1.00 0.00 C ATOM 617 NH1 ARG A 41 -0.750 41.491 -2.597 1.00 0.00 N ATOM 618 NH2 ARG A 41 -1.980 40.284 -1.097 1.00 0.00 N ATOM 0 H ARG A 41 2.204 38.522 3.028 1.00 0.00 H new ATOM 0 HA ARG A 41 3.679 40.868 2.495 1.00 0.00 H new ATOM 0 HB2 ARG A 41 1.373 39.553 1.538 1.00 0.00 H new ATOM 0 HB3 ARG A 41 0.716 41.049 2.173 1.00 0.00 H new ATOM 0 HG2 ARG A 41 2.759 42.177 0.887 1.00 0.00 H new ATOM 0 HG3 ARG A 41 2.786 40.676 -0.018 1.00 0.00 H new ATOM 0 HD2 ARG A 41 0.299 42.428 0.355 1.00 0.00 H new ATOM 0 HD3 ARG A 41 1.303 42.427 -1.082 1.00 0.00 H new ATOM 0 HE ARG A 41 0.544 39.679 -0.556 1.00 0.00 H new ATOM 0 HH11 ARG A 41 0.151 41.879 -2.876 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -1.573 41.643 -3.180 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -2.019 39.749 -0.229 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -2.825 40.415 -1.653 1.00 0.00 H new ATOM 632 N LYS A 42 1.400 41.220 4.813 1.00 0.00 N ATOM 633 CA LYS A 42 0.953 42.141 5.877 1.00 0.00 C ATOM 634 C LYS A 42 2.039 42.310 6.919 1.00 0.00 C ATOM 635 O LYS A 42 2.197 43.372 7.489 1.00 0.00 O ATOM 636 CB LYS A 42 -0.291 41.543 6.548 1.00 0.00 C ATOM 637 CG LYS A 42 -1.508 41.781 5.651 1.00 0.00 C ATOM 638 CD LYS A 42 -2.685 40.950 6.168 1.00 0.00 C ATOM 639 CE LYS A 42 -3.842 41.039 5.169 1.00 0.00 C ATOM 640 NZ LYS A 42 -4.748 39.861 5.307 1.00 0.00 N ATOM 0 H LYS A 42 0.952 40.304 4.812 1.00 0.00 H new ATOM 0 HA LYS A 42 0.727 43.114 5.440 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -0.151 40.475 6.716 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -0.448 42.001 7.524 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -1.769 42.839 5.645 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -1.276 41.505 4.622 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -2.382 39.911 6.300 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -3.003 41.316 7.144 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -4.404 41.958 5.336 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -3.450 41.086 4.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -5.526 39.939 4.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -4.213 38.988 5.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -5.137 39.834 6.271 1.00 0.00 H new ATOM 654 N ASN A 43 2.771 41.257 7.154 1.00 0.00 N ATOM 655 CA ASN A 43 3.853 41.343 8.157 1.00 0.00 C ATOM 656 C ASN A 43 4.971 42.245 7.641 1.00 0.00 C ATOM 657 O ASN A 43 6.102 42.154 8.072 1.00 0.00 O ATOM 658 CB ASN A 43 4.401 39.929 8.403 1.00 0.00 C ATOM 659 CG ASN A 43 5.339 39.949 9.613 1.00 0.00 C ATOM 660 OD1 ASN A 43 6.617 40.128 9.422 1.00 0.00 O flip ATOM 661 ND2 ASN A 43 4.915 39.800 10.741 1.00 0.00 N flip ATOM 0 H ASN A 43 2.664 40.351 6.697 1.00 0.00 H new ATOM 0 HA ASN A 43 3.466 41.763 9.085 1.00 0.00 H new ATOM 0 HB2 ASN A 43 3.579 39.234 8.578 1.00 0.00 H new ATOM 0 HB3 ASN A 43 4.935 39.576 7.521 1.00 0.00 H new ATOM 0 HD21 ASN A 43 3.917 39.660 10.896 1.00 0.00 H new ATOM 0 HD22 ASN A 43 5.557 39.815 11.533 1.00 0.00 H new ATOM 668 N TYR A 44 4.615 43.098 6.713 1.00 0.00 N ATOM 669 CA TYR A 44 5.611 44.038 6.125 1.00 0.00 C ATOM 670 C TYR A 44 6.953 43.365 5.871 1.00 0.00 C ATOM 671 O TYR A 44 7.962 43.777 6.401 1.00 0.00 O ATOM 672 CB TYR A 44 5.818 45.229 7.092 1.00 0.00 C ATOM 673 CG TYR A 44 6.107 44.722 8.511 1.00 0.00 C ATOM 674 CD1 TYR A 44 5.077 44.307 9.333 1.00 0.00 C ATOM 675 CD2 TYR A 44 7.403 44.691 8.995 1.00 0.00 C ATOM 676 CE1 TYR A 44 5.336 43.870 10.616 1.00 0.00 C ATOM 677 CE2 TYR A 44 7.659 44.253 10.278 1.00 0.00 C ATOM 678 CZ TYR A 44 6.628 43.839 11.099 1.00 0.00 C ATOM 679 OH TYR A 44 6.886 43.402 12.382 1.00 0.00 O ATOM 0 H TYR A 44 3.671 43.182 6.337 1.00 0.00 H new ATOM 0 HA TYR A 44 5.221 44.379 5.166 1.00 0.00 H new ATOM 0 HB2 TYR A 44 6.645 45.848 6.745 1.00 0.00 H new ATOM 0 HB3 TYR A 44 4.929 45.859 7.098 1.00 0.00 H new ATOM 0 HD1 TYR A 44 4.061 44.325 8.968 1.00 0.00 H new ATOM 0 HD2 TYR A 44 8.219 45.012 8.365 1.00 0.00 H new ATOM 0 HE1 TYR A 44 4.520 43.550 11.247 1.00 0.00 H new ATOM 0 HE2 TYR A 44 8.675 44.234 10.644 1.00 0.00 H new ATOM 0 HH TYR A 44 7.850 43.446 12.555 1.00 0.00 H new ATOM 689 N ILE A 45 6.937 42.345 5.050 1.00 0.00 N ATOM 690 CA ILE A 45 8.196 41.628 4.741 1.00 0.00 C ATOM 691 C ILE A 45 8.726 42.044 3.367 1.00 0.00 C ATOM 692 O ILE A 45 8.448 41.406 2.372 1.00 0.00 O ATOM 693 CB ILE A 45 7.902 40.131 4.729 1.00 0.00 C ATOM 694 CG1 ILE A 45 7.656 39.646 6.151 1.00 0.00 C ATOM 695 CG2 ILE A 45 9.123 39.393 4.156 1.00 0.00 C ATOM 696 CD1 ILE A 45 8.865 39.989 7.028 1.00 0.00 C ATOM 0 H ILE A 45 6.104 41.984 4.585 1.00 0.00 H new ATOM 0 HA ILE A 45 8.947 41.871 5.493 1.00 0.00 H new ATOM 0 HB ILE A 45 7.019 39.936 4.120 1.00 0.00 H new ATOM 0 HG12 ILE A 45 6.757 40.112 6.555 1.00 0.00 H new ATOM 0 HG13 ILE A 45 7.485 38.569 6.154 1.00 0.00 H new ATOM 0 HG21 ILE A 45 8.926 38.321 4.142 1.00 0.00 H new ATOM 0 HG22 ILE A 45 9.315 39.740 3.141 1.00 0.00 H new ATOM 0 HG23 ILE A 45 9.995 39.594 4.779 1.00 0.00 H new ATOM 0 HD11 ILE A 45 8.687 39.641 8.045 1.00 0.00 H new ATOM 0 HD12 ILE A 45 9.754 39.502 6.628 1.00 0.00 H new ATOM 0 HD13 ILE A 45 9.015 41.069 7.035 1.00 0.00 H new ATOM 708 N ARG A 46 9.482 43.111 3.343 1.00 0.00 N ATOM 709 CA ARG A 46 10.042 43.591 2.049 1.00 0.00 C ATOM 710 C ARG A 46 10.556 42.432 1.199 1.00 0.00 C ATOM 711 O ARG A 46 11.294 41.592 1.671 1.00 0.00 O ATOM 712 CB ARG A 46 11.218 44.541 2.356 1.00 0.00 C ATOM 713 CG ARG A 46 11.031 45.846 1.575 1.00 0.00 C ATOM 714 CD ARG A 46 12.305 46.690 1.686 1.00 0.00 C ATOM 715 NE ARG A 46 13.457 45.909 1.152 1.00 0.00 N ATOM 716 CZ ARG A 46 14.535 46.539 0.767 1.00 0.00 C ATOM 717 NH1 ARG A 46 14.781 47.726 1.253 1.00 0.00 N ATOM 718 NH2 ARG A 46 15.330 45.962 -0.091 1.00 0.00 N ATOM 0 H ARG A 46 9.734 43.667 4.160 1.00 0.00 H new ATOM 0 HA ARG A 46 9.254 44.098 1.492 1.00 0.00 H new ATOM 0 HB2 ARG A 46 11.265 44.747 3.425 1.00 0.00 H new ATOM 0 HB3 ARG A 46 12.162 44.071 2.081 1.00 0.00 H new ATOM 0 HG2 ARG A 46 10.815 45.629 0.529 1.00 0.00 H new ATOM 0 HG3 ARG A 46 10.179 46.400 1.969 1.00 0.00 H new ATOM 0 HD2 ARG A 46 12.190 47.619 1.128 1.00 0.00 H new ATOM 0 HD3 ARG A 46 12.486 46.963 2.726 1.00 0.00 H new ATOM 0 HE ARG A 46 13.404 44.892 1.088 1.00 0.00 H new ATOM 0 HH11 ARG A 46 14.136 48.147 1.922 1.00 0.00 H new ATOM 0 HH12 ARG A 46 15.618 48.232 0.964 1.00 0.00 H new ATOM 0 HH21 ARG A 46 15.106 45.034 -0.450 1.00 0.00 H new ATOM 0 HH22 ARG A 46 16.176 46.439 -0.403 1.00 0.00 H new ATOM 732 N ILE A 47 10.150 42.410 -0.049 1.00 0.00 N ATOM 733 CA ILE A 47 10.582 41.349 -0.938 1.00 0.00 C ATOM 734 C ILE A 47 11.912 41.696 -1.609 1.00 0.00 C ATOM 735 O ILE A 47 12.147 42.833 -1.965 1.00 0.00 O ATOM 736 CB ILE A 47 9.516 41.232 -2.005 1.00 0.00 C ATOM 737 CG1 ILE A 47 9.379 42.555 -2.748 1.00 0.00 C ATOM 738 CG2 ILE A 47 8.173 40.905 -1.330 1.00 0.00 C ATOM 739 CD1 ILE A 47 8.008 42.613 -3.427 1.00 0.00 C ATOM 0 H ILE A 47 9.530 43.102 -0.470 1.00 0.00 H new ATOM 0 HA ILE A 47 10.722 40.423 -0.380 1.00 0.00 H new ATOM 0 HB ILE A 47 9.793 40.447 -2.708 1.00 0.00 H new ATOM 0 HG12 ILE A 47 9.490 43.388 -2.054 1.00 0.00 H new ATOM 0 HG13 ILE A 47 10.170 42.652 -3.491 1.00 0.00 H new ATOM 0 HG21 ILE A 47 7.396 40.818 -2.089 1.00 0.00 H new ATOM 0 HG22 ILE A 47 8.258 39.963 -0.788 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.912 41.702 -0.634 1.00 0.00 H new ATOM 0 HD11 ILE A 47 7.906 43.558 -3.960 1.00 0.00 H new ATOM 0 HD12 ILE A 47 7.916 41.787 -4.132 1.00 0.00 H new ATOM 0 HD13 ILE A 47 7.225 42.535 -2.673 1.00 0.00 H new ATOM 751 N LEU A 48 12.758 40.706 -1.768 1.00 0.00 N ATOM 752 CA LEU A 48 14.079 40.961 -2.414 1.00 0.00 C ATOM 753 C LEU A 48 14.467 39.800 -3.318 1.00 0.00 C ATOM 754 O LEU A 48 13.972 38.703 -3.168 1.00 0.00 O ATOM 755 CB LEU A 48 15.144 41.110 -1.319 1.00 0.00 C ATOM 756 CG LEU A 48 14.957 40.005 -0.276 1.00 0.00 C ATOM 757 CD1 LEU A 48 16.298 39.298 -0.043 1.00 0.00 C ATOM 758 CD2 LEU A 48 14.477 40.628 1.035 1.00 0.00 C ATOM 0 H LEU A 48 12.591 39.742 -1.480 1.00 0.00 H new ATOM 0 HA LEU A 48 14.010 41.869 -3.013 1.00 0.00 H new ATOM 0 HB2 LEU A 48 16.141 41.049 -1.755 1.00 0.00 H new ATOM 0 HB3 LEU A 48 15.062 42.089 -0.847 1.00 0.00 H new ATOM 0 HG LEU A 48 14.220 39.284 -0.630 1.00 0.00 H new ATOM 0 HD11 LEU A 48 16.170 38.510 0.699 1.00 0.00 H new ATOM 0 HD12 LEU A 48 16.647 38.862 -0.979 1.00 0.00 H new ATOM 0 HD13 LEU A 48 17.032 40.019 0.317 1.00 0.00 H new ATOM 0 HD21 LEU A 48 14.342 39.846 1.782 1.00 0.00 H new ATOM 0 HD22 LEU A 48 15.218 41.345 1.390 1.00 0.00 H new ATOM 0 HD23 LEU A 48 13.528 41.139 0.869 1.00 0.00 H new ATOM 770 N THR A 49 15.346 40.061 -4.247 1.00 0.00 N ATOM 771 CA THR A 49 15.768 38.973 -5.164 1.00 0.00 C ATOM 772 C THR A 49 16.727 38.021 -4.492 1.00 0.00 C ATOM 773 O THR A 49 17.662 38.403 -3.814 1.00 0.00 O ATOM 774 CB THR A 49 16.435 39.589 -6.391 1.00 0.00 C ATOM 775 OG1 THR A 49 16.536 38.534 -7.325 1.00 0.00 O ATOM 776 CG2 THR A 49 17.891 39.984 -6.090 1.00 0.00 C ATOM 0 H THR A 49 15.783 40.969 -4.407 1.00 0.00 H new ATOM 0 HA THR A 49 14.884 38.406 -5.455 1.00 0.00 H new ATOM 0 HB THR A 49 15.869 40.460 -6.721 1.00 0.00 H new ATOM 0 HG1 THR A 49 16.958 38.863 -8.146 1.00 0.00 H new ATOM 0 HG21 THR A 49 18.341 40.420 -6.982 1.00 0.00 H new ATOM 0 HG22 THR A 49 17.910 40.713 -5.280 1.00 0.00 H new ATOM 0 HG23 THR A 49 18.454 39.099 -5.795 1.00 0.00 H new ATOM 784 N GLY A 50 16.445 36.802 -4.720 1.00 0.00 N ATOM 785 CA GLY A 50 17.223 35.683 -4.175 1.00 0.00 C ATOM 786 C GLY A 50 16.863 35.541 -2.733 1.00 0.00 C ATOM 787 O GLY A 50 17.585 35.956 -1.849 1.00 0.00 O ATOM 0 H GLY A 50 15.657 36.510 -5.299 1.00 0.00 H new ATOM 0 HA2 GLY A 50 17.002 34.763 -4.717 1.00 0.00 H new ATOM 0 HA3 GLY A 50 18.291 35.870 -4.286 1.00 0.00 H new ATOM 791 N ASP A 51 15.740 34.936 -2.540 1.00 0.00 N ATOM 792 CA ASP A 51 15.249 34.709 -1.192 1.00 0.00 C ATOM 793 C ASP A 51 15.394 33.272 -0.892 1.00 0.00 C ATOM 794 O ASP A 51 14.778 32.467 -1.574 1.00 0.00 O ATOM 795 CB ASP A 51 13.758 35.081 -1.135 1.00 0.00 C ATOM 796 CG ASP A 51 13.615 36.591 -1.268 1.00 0.00 C ATOM 797 OD1 ASP A 51 14.650 37.218 -1.404 1.00 0.00 O ATOM 798 OD2 ASP A 51 12.477 37.034 -1.225 1.00 0.00 O ATOM 0 H ASP A 51 15.136 34.585 -3.283 1.00 0.00 H new ATOM 0 HA ASP A 51 15.806 35.311 -0.474 1.00 0.00 H new ATOM 0 HB2 ASP A 51 13.215 34.580 -1.936 1.00 0.00 H new ATOM 0 HB3 ASP A 51 13.322 34.744 -0.195 1.00 0.00 H new ATOM 803 N LYS A 52 16.153 32.905 0.077 1.00 0.00 N ATOM 804 CA LYS A 52 16.226 31.475 0.298 1.00 0.00 C ATOM 805 C LYS A 52 14.919 31.140 0.963 1.00 0.00 C ATOM 806 O LYS A 52 14.702 31.537 2.086 1.00 0.00 O ATOM 807 CB LYS A 52 17.403 31.157 1.247 1.00 0.00 C ATOM 808 CG LYS A 52 18.303 30.090 0.615 1.00 0.00 C ATOM 809 CD LYS A 52 19.411 30.781 -0.185 1.00 0.00 C ATOM 810 CE LYS A 52 20.399 29.727 -0.696 1.00 0.00 C ATOM 811 NZ LYS A 52 21.785 30.057 -0.259 1.00 0.00 N ATOM 0 H LYS A 52 16.699 33.505 0.695 1.00 0.00 H new ATOM 0 HA LYS A 52 16.386 30.908 -0.619 1.00 0.00 H new ATOM 0 HB2 LYS A 52 17.978 32.062 1.444 1.00 0.00 H new ATOM 0 HB3 LYS A 52 17.024 30.805 2.206 1.00 0.00 H new ATOM 0 HG2 LYS A 52 18.737 29.457 1.389 1.00 0.00 H new ATOM 0 HG3 LYS A 52 17.717 29.441 -0.036 1.00 0.00 H new ATOM 0 HD2 LYS A 52 18.982 31.330 -1.023 1.00 0.00 H new ATOM 0 HD3 LYS A 52 19.928 31.508 0.441 1.00 0.00 H new ATOM 0 HE2 LYS A 52 20.117 28.743 -0.320 1.00 0.00 H new ATOM 0 HE3 LYS A 52 20.356 29.677 -1.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 22.442 29.333 -0.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 22.056 30.987 -0.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 21.825 30.082 0.780 1.00 0.00 H new ATOM 825 N VAL A 53 14.063 30.412 0.283 1.00 0.00 N ATOM 826 CA VAL A 53 12.745 30.079 0.920 1.00 0.00 C ATOM 827 C VAL A 53 12.328 28.645 0.764 1.00 0.00 C ATOM 828 O VAL A 53 13.031 27.837 0.190 1.00 0.00 O ATOM 829 CB VAL A 53 11.687 30.943 0.219 1.00 0.00 C ATOM 830 CG1 VAL A 53 12.016 32.421 0.426 1.00 0.00 C ATOM 831 CG2 VAL A 53 11.714 30.632 -1.281 1.00 0.00 C ATOM 0 H VAL A 53 14.211 30.043 -0.656 1.00 0.00 H new ATOM 0 HA VAL A 53 12.842 30.264 1.990 1.00 0.00 H new ATOM 0 HB VAL A 53 10.702 30.728 0.633 1.00 0.00 H new ATOM 0 HG11 VAL A 53 11.265 33.034 -0.072 1.00 0.00 H new ATOM 0 HG12 VAL A 53 12.020 32.647 1.492 1.00 0.00 H new ATOM 0 HG13 VAL A 53 12.998 32.638 0.005 1.00 0.00 H new ATOM 0 HG21 VAL A 53 10.967 31.239 -1.792 1.00 0.00 H new ATOM 0 HG22 VAL A 53 12.702 30.859 -1.682 1.00 0.00 H new ATOM 0 HG23 VAL A 53 11.493 29.576 -1.438 1.00 0.00 H new ATOM 841 N ARG A 54 11.150 28.355 1.297 1.00 0.00 N ATOM 842 CA ARG A 54 10.627 26.977 1.205 1.00 0.00 C ATOM 843 C ARG A 54 9.571 26.920 0.122 1.00 0.00 C ATOM 844 O ARG A 54 8.545 27.566 0.219 1.00 0.00 O ATOM 845 CB ARG A 54 10.010 26.595 2.552 1.00 0.00 C ATOM 846 CG ARG A 54 9.808 25.081 2.595 1.00 0.00 C ATOM 847 CD ARG A 54 9.470 24.659 4.025 1.00 0.00 C ATOM 848 NE ARG A 54 10.431 25.301 4.965 1.00 0.00 N ATOM 849 CZ ARG A 54 10.974 24.585 5.908 1.00 0.00 C ATOM 850 NH1 ARG A 54 10.227 24.179 6.895 1.00 0.00 N ATOM 851 NH2 ARG A 54 12.246 24.300 5.833 1.00 0.00 N ATOM 0 H ARG A 54 10.548 29.020 1.783 1.00 0.00 H new ATOM 0 HA ARG A 54 11.430 26.282 0.961 1.00 0.00 H new ATOM 0 HB2 ARG A 54 10.661 26.911 3.367 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.057 27.106 2.688 1.00 0.00 H new ATOM 0 HG2 ARG A 54 9.005 24.790 1.918 1.00 0.00 H new ATOM 0 HG3 ARG A 54 10.710 24.572 2.257 1.00 0.00 H new ATOM 0 HD2 ARG A 54 8.450 24.953 4.272 1.00 0.00 H new ATOM 0 HD3 ARG A 54 9.521 23.574 4.119 1.00 0.00 H new ATOM 0 HE ARG A 54 10.661 26.290 4.871 1.00 0.00 H new ATOM 0 HH11 ARG A 54 9.237 24.423 6.919 1.00 0.00 H new ATOM 0 HH12 ARG A 54 10.632 23.617 7.644 1.00 0.00 H new ATOM 0 HH21 ARG A 54 12.799 24.637 5.045 1.00 0.00 H new ATOM 0 HH22 ARG A 54 12.687 23.740 6.563 1.00 0.00 H new ATOM 865 N VAL A 55 9.838 26.139 -0.889 1.00 0.00 N ATOM 866 CA VAL A 55 8.872 26.021 -1.998 1.00 0.00 C ATOM 867 C VAL A 55 8.062 24.749 -1.920 1.00 0.00 C ATOM 868 O VAL A 55 8.609 23.667 -1.825 1.00 0.00 O ATOM 869 CB VAL A 55 9.665 25.984 -3.314 1.00 0.00 C ATOM 870 CG1 VAL A 55 8.772 26.447 -4.464 1.00 0.00 C ATOM 871 CG2 VAL A 55 10.872 26.916 -3.203 1.00 0.00 C ATOM 0 H VAL A 55 10.686 25.581 -0.988 1.00 0.00 H new ATOM 0 HA VAL A 55 8.189 26.868 -1.941 1.00 0.00 H new ATOM 0 HB VAL A 55 10.003 24.966 -3.506 1.00 0.00 H new ATOM 0 HG11 VAL A 55 9.336 26.420 -5.396 1.00 0.00 H new ATOM 0 HG12 VAL A 55 7.909 25.786 -4.543 1.00 0.00 H new ATOM 0 HG13 VAL A 55 8.433 27.465 -4.274 1.00 0.00 H new ATOM 0 HG21 VAL A 55 11.437 26.892 -4.135 1.00 0.00 H new ATOM 0 HG22 VAL A 55 10.530 27.933 -3.012 1.00 0.00 H new ATOM 0 HG23 VAL A 55 11.511 26.588 -2.383 1.00 0.00 H new ATOM 881 N GLU A 56 6.764 24.900 -1.975 1.00 0.00 N ATOM 882 CA GLU A 56 5.893 23.725 -1.913 1.00 0.00 C ATOM 883 C GLU A 56 5.402 23.459 -3.307 1.00 0.00 C ATOM 884 O GLU A 56 4.938 24.362 -3.976 1.00 0.00 O ATOM 885 CB GLU A 56 4.696 24.037 -0.996 1.00 0.00 C ATOM 886 CG GLU A 56 3.643 22.938 -1.143 1.00 0.00 C ATOM 887 CD GLU A 56 2.634 23.049 0.001 1.00 0.00 C ATOM 888 OE1 GLU A 56 3.098 23.081 1.129 1.00 0.00 O ATOM 889 OE2 GLU A 56 1.458 23.097 -0.316 1.00 0.00 O ATOM 0 H GLU A 56 6.283 25.795 -2.060 1.00 0.00 H new ATOM 0 HA GLU A 56 6.426 22.859 -1.521 1.00 0.00 H new ATOM 0 HB2 GLU A 56 5.026 24.103 0.041 1.00 0.00 H new ATOM 0 HB3 GLU A 56 4.267 25.004 -1.257 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.134 23.032 -2.102 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.119 21.958 -1.129 1.00 0.00 H new ATOM 896 N LEU A 57 5.498 22.240 -3.734 1.00 0.00 N ATOM 897 CA LEU A 57 5.033 21.936 -5.096 1.00 0.00 C ATOM 898 C LEU A 57 3.599 21.476 -5.053 1.00 0.00 C ATOM 899 O LEU A 57 3.237 20.595 -4.291 1.00 0.00 O ATOM 900 CB LEU A 57 5.928 20.829 -5.682 1.00 0.00 C ATOM 901 CG LEU A 57 7.400 21.271 -5.569 1.00 0.00 C ATOM 902 CD1 LEU A 57 8.090 20.435 -4.496 1.00 0.00 C ATOM 903 CD2 LEU A 57 8.109 21.054 -6.911 1.00 0.00 C ATOM 0 H LEU A 57 5.873 21.453 -3.205 1.00 0.00 H new ATOM 0 HA LEU A 57 5.092 22.827 -5.721 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.772 19.893 -5.145 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.668 20.645 -6.724 1.00 0.00 H new ATOM 0 HG LEU A 57 7.444 22.327 -5.304 1.00 0.00 H new ATOM 0 HD11 LEU A 57 9.132 20.742 -4.410 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.588 20.584 -3.540 1.00 0.00 H new ATOM 0 HD13 LEU A 57 8.044 19.381 -4.770 1.00 0.00 H new ATOM 0 HD21 LEU A 57 9.150 21.368 -6.828 1.00 0.00 H new ATOM 0 HD22 LEU A 57 8.068 19.998 -7.177 1.00 0.00 H new ATOM 0 HD23 LEU A 57 7.614 21.642 -7.684 1.00 0.00 H new ATOM 915 N THR A 58 2.805 22.096 -5.879 1.00 0.00 N ATOM 916 CA THR A 58 1.369 21.751 -5.938 1.00 0.00 C ATOM 917 C THR A 58 1.171 20.328 -6.465 1.00 0.00 C ATOM 918 O THR A 58 2.017 19.798 -7.145 1.00 0.00 O ATOM 919 CB THR A 58 0.746 22.776 -6.890 1.00 0.00 C ATOM 920 OG1 THR A 58 1.424 22.600 -8.118 1.00 0.00 O ATOM 921 CG2 THR A 58 1.127 24.214 -6.441 1.00 0.00 C ATOM 0 H THR A 58 3.098 22.834 -6.520 1.00 0.00 H new ATOM 0 HA THR A 58 0.905 21.780 -4.952 1.00 0.00 H new ATOM 0 HB THR A 58 -0.336 22.650 -6.930 1.00 0.00 H new ATOM 0 HG1 THR A 58 2.134 23.270 -8.199 1.00 0.00 H new ATOM 0 HG21 THR A 58 0.681 24.938 -7.122 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.757 24.390 -5.431 1.00 0.00 H new ATOM 0 HG23 THR A 58 2.211 24.324 -6.454 1.00 0.00 H new ATOM 929 N PRO A 59 0.043 19.719 -6.117 1.00 0.00 N ATOM 930 CA PRO A 59 -0.249 18.365 -6.560 1.00 0.00 C ATOM 931 C PRO A 59 0.112 18.185 -8.022 1.00 0.00 C ATOM 932 O PRO A 59 0.380 17.087 -8.469 1.00 0.00 O ATOM 933 CB PRO A 59 -1.765 18.198 -6.335 1.00 0.00 C ATOM 934 CG PRO A 59 -2.225 19.404 -5.451 1.00 0.00 C ATOM 935 CD PRO A 59 -1.012 20.350 -5.311 1.00 0.00 C ATOM 0 HA PRO A 59 0.329 17.618 -6.015 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -2.298 18.189 -7.285 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -1.981 17.251 -5.840 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -3.066 19.921 -5.912 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -2.560 19.059 -4.473 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -1.245 21.350 -5.676 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -0.707 20.453 -4.270 1.00 0.00 H new ATOM 943 N TYR A 60 0.116 19.266 -8.744 1.00 0.00 N ATOM 944 CA TYR A 60 0.462 19.175 -10.174 1.00 0.00 C ATOM 945 C TYR A 60 1.969 18.997 -10.301 1.00 0.00 C ATOM 946 O TYR A 60 2.455 18.278 -11.152 1.00 0.00 O ATOM 947 CB TYR A 60 0.047 20.484 -10.854 1.00 0.00 C ATOM 948 CG TYR A 60 -1.312 20.930 -10.304 1.00 0.00 C ATOM 949 CD1 TYR A 60 -2.458 20.222 -10.606 1.00 0.00 C ATOM 950 CD2 TYR A 60 -1.410 22.038 -9.486 1.00 0.00 C ATOM 951 CE1 TYR A 60 -3.680 20.616 -10.098 1.00 0.00 C ATOM 952 CE2 TYR A 60 -2.630 22.432 -8.979 1.00 0.00 C ATOM 953 CZ TYR A 60 -3.775 21.724 -9.280 1.00 0.00 C ATOM 954 OH TYR A 60 -4.994 22.115 -8.769 1.00 0.00 O ATOM 0 H TYR A 60 -0.105 20.202 -8.403 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.048 18.333 -10.641 1.00 0.00 H new ATOM 0 HB2 TYR A 60 0.796 21.255 -10.673 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -0.012 20.344 -11.933 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -2.398 19.353 -11.245 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -0.522 22.602 -9.241 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -4.569 20.053 -10.343 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -2.690 23.302 -8.341 1.00 0.00 H new ATOM 0 HH TYR A 60 -4.875 22.913 -8.213 1.00 0.00 H new ATOM 964 N ASP A 61 2.675 19.662 -9.427 1.00 0.00 N ATOM 965 CA ASP A 61 4.153 19.578 -9.433 1.00 0.00 C ATOM 966 C ASP A 61 4.723 19.710 -10.830 1.00 0.00 C ATOM 967 O ASP A 61 5.713 19.081 -11.147 1.00 0.00 O ATOM 968 CB ASP A 61 4.554 18.205 -8.871 1.00 0.00 C ATOM 969 CG ASP A 61 6.051 18.202 -8.548 1.00 0.00 C ATOM 970 OD1 ASP A 61 6.369 18.635 -7.453 1.00 0.00 O ATOM 971 OD2 ASP A 61 6.791 17.765 -9.414 1.00 0.00 O ATOM 0 H ASP A 61 2.281 20.264 -8.704 1.00 0.00 H new ATOM 0 HA ASP A 61 4.547 20.396 -8.830 1.00 0.00 H new ATOM 0 HB2 ASP A 61 3.977 17.985 -7.973 1.00 0.00 H new ATOM 0 HB3 ASP A 61 4.326 17.423 -9.595 1.00 0.00 H new ATOM 976 N LEU A 62 4.104 20.523 -11.651 1.00 0.00 N ATOM 977 CA LEU A 62 4.637 20.673 -13.022 1.00 0.00 C ATOM 978 C LEU A 62 5.563 21.879 -13.115 1.00 0.00 C ATOM 979 O LEU A 62 6.747 21.735 -13.351 1.00 0.00 O ATOM 980 CB LEU A 62 3.462 20.891 -14.005 1.00 0.00 C ATOM 981 CG LEU A 62 2.142 20.950 -13.242 1.00 0.00 C ATOM 982 CD1 LEU A 62 1.968 22.356 -12.640 1.00 0.00 C ATOM 983 CD2 LEU A 62 1.004 20.665 -14.219 1.00 0.00 C ATOM 0 H LEU A 62 3.274 21.073 -11.431 1.00 0.00 H new ATOM 0 HA LEU A 62 5.193 19.770 -13.273 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.611 21.816 -14.562 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.433 20.081 -14.734 1.00 0.00 H new ATOM 0 HG LEU A 62 2.135 20.213 -12.439 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.026 22.404 -12.094 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.793 22.565 -11.959 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.961 23.096 -13.440 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.052 20.703 -13.690 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.009 21.413 -15.012 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.138 19.675 -14.654 1.00 0.00 H new ATOM 995 N SER A 63 5.005 23.050 -12.934 1.00 0.00 N ATOM 996 CA SER A 63 5.837 24.284 -13.006 1.00 0.00 C ATOM 997 C SER A 63 5.487 25.285 -11.915 1.00 0.00 C ATOM 998 O SER A 63 6.224 26.224 -11.697 1.00 0.00 O ATOM 999 CB SER A 63 5.586 24.941 -14.367 1.00 0.00 C ATOM 1000 OG SER A 63 5.630 23.861 -15.289 1.00 0.00 O ATOM 0 H SER A 63 4.015 23.202 -12.741 1.00 0.00 H new ATOM 0 HA SER A 63 6.881 24.001 -12.871 1.00 0.00 H new ATOM 0 HB2 SER A 63 4.621 25.448 -14.393 1.00 0.00 H new ATOM 0 HB3 SER A 63 6.345 25.690 -14.594 1.00 0.00 H new ATOM 0 HG SER A 63 5.475 24.199 -16.196 1.00 0.00 H new ATOM 1006 N LYS A 64 4.364 25.080 -11.251 1.00 0.00 N ATOM 1007 CA LYS A 64 3.970 26.038 -10.175 1.00 0.00 C ATOM 1008 C LYS A 64 4.148 25.503 -8.750 1.00 0.00 C ATOM 1009 O LYS A 64 4.037 24.309 -8.471 1.00 0.00 O ATOM 1010 CB LYS A 64 2.494 26.387 -10.377 1.00 0.00 C ATOM 1011 CG LYS A 64 2.339 27.154 -11.691 1.00 0.00 C ATOM 1012 CD LYS A 64 0.874 27.542 -11.867 1.00 0.00 C ATOM 1013 CE LYS A 64 0.457 28.447 -10.705 1.00 0.00 C ATOM 1014 NZ LYS A 64 -0.512 29.480 -11.167 1.00 0.00 N ATOM 0 H LYS A 64 3.720 24.305 -11.409 1.00 0.00 H new ATOM 0 HA LYS A 64 4.631 26.900 -10.263 1.00 0.00 H new ATOM 0 HB2 LYS A 64 1.892 25.479 -10.398 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.132 26.990 -9.544 1.00 0.00 H new ATOM 0 HG2 LYS A 64 2.967 28.045 -11.684 1.00 0.00 H new ATOM 0 HG3 LYS A 64 2.669 26.539 -12.528 1.00 0.00 H new ATOM 0 HD2 LYS A 64 0.732 28.058 -12.816 1.00 0.00 H new ATOM 0 HD3 LYS A 64 0.248 26.650 -11.893 1.00 0.00 H new ATOM 0 HE2 LYS A 64 0.008 27.848 -9.913 1.00 0.00 H new ATOM 0 HE3 LYS A 64 1.337 28.930 -10.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -0.784 30.084 -10.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -0.071 30.063 -11.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -1.359 29.014 -11.552 1.00 0.00 H new ATOM 1028 N GLY A 65 4.396 26.440 -7.875 1.00 0.00 N ATOM 1029 CA GLY A 65 4.600 26.129 -6.444 1.00 0.00 C ATOM 1030 C GLY A 65 4.342 27.413 -5.655 1.00 0.00 C ATOM 1031 O GLY A 65 3.861 28.367 -6.208 1.00 0.00 O ATOM 0 H GLY A 65 4.466 27.431 -8.106 1.00 0.00 H new ATOM 0 HA2 GLY A 65 3.922 25.338 -6.123 1.00 0.00 H new ATOM 0 HA3 GLY A 65 5.614 25.769 -6.270 1.00 0.00 H new ATOM 1035 N ARG A 66 4.604 27.398 -4.386 1.00 0.00 N ATOM 1036 CA ARG A 66 4.368 28.641 -3.581 1.00 0.00 C ATOM 1037 C ARG A 66 5.467 28.809 -2.541 1.00 0.00 C ATOM 1038 O ARG A 66 6.091 27.843 -2.156 1.00 0.00 O ATOM 1039 CB ARG A 66 3.006 28.529 -2.871 1.00 0.00 C ATOM 1040 CG ARG A 66 2.858 27.124 -2.285 1.00 0.00 C ATOM 1041 CD ARG A 66 1.416 26.921 -1.800 1.00 0.00 C ATOM 1042 NE ARG A 66 0.475 27.544 -2.772 1.00 0.00 N ATOM 1043 CZ ARG A 66 -0.392 28.421 -2.349 1.00 0.00 C ATOM 1044 NH1 ARG A 66 -0.072 29.190 -1.343 1.00 0.00 N ATOM 1045 NH2 ARG A 66 -1.551 28.500 -2.941 1.00 0.00 N ATOM 0 H ARG A 66 4.966 26.598 -3.868 1.00 0.00 H new ATOM 0 HA ARG A 66 4.374 29.506 -4.245 1.00 0.00 H new ATOM 0 HB2 ARG A 66 2.932 29.275 -2.080 1.00 0.00 H new ATOM 0 HB3 ARG A 66 2.198 28.729 -3.575 1.00 0.00 H new ATOM 0 HG2 ARG A 66 3.109 26.376 -3.038 1.00 0.00 H new ATOM 0 HG3 ARG A 66 3.554 26.989 -1.457 1.00 0.00 H new ATOM 0 HD2 ARG A 66 1.201 25.857 -1.699 1.00 0.00 H new ATOM 0 HD3 ARG A 66 1.286 27.367 -0.814 1.00 0.00 H new ATOM 0 HE ARG A 66 0.509 27.287 -3.759 1.00 0.00 H new ATOM 0 HH11 ARG A 66 0.843 29.099 -0.902 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -0.737 29.882 -0.998 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -1.768 27.881 -3.722 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -2.241 29.181 -2.623 1.00 0.00 H new ATOM 1059 N ILE A 67 5.685 30.034 -2.087 1.00 0.00 N ATOM 1060 CA ILE A 67 6.759 30.250 -1.065 1.00 0.00 C ATOM 1061 C ILE A 67 6.182 30.454 0.324 1.00 0.00 C ATOM 1062 O ILE A 67 5.192 31.136 0.490 1.00 0.00 O ATOM 1063 CB ILE A 67 7.527 31.507 -1.454 1.00 0.00 C ATOM 1064 CG1 ILE A 67 8.432 31.207 -2.636 1.00 0.00 C ATOM 1065 CG2 ILE A 67 8.401 31.943 -0.261 1.00 0.00 C ATOM 1066 CD1 ILE A 67 8.850 32.521 -3.300 1.00 0.00 C ATOM 0 H ILE A 67 5.176 30.869 -2.376 1.00 0.00 H new ATOM 0 HA ILE A 67 7.400 29.369 -1.041 1.00 0.00 H new ATOM 0 HB ILE A 67 6.824 32.296 -1.721 1.00 0.00 H new ATOM 0 HG12 ILE A 67 9.313 30.658 -2.304 1.00 0.00 H new ATOM 0 HG13 ILE A 67 7.913 30.572 -3.354 1.00 0.00 H new ATOM 0 HG21 ILE A 67 8.956 32.842 -0.526 1.00 0.00 H new ATOM 0 HG22 ILE A 67 7.765 32.150 0.600 1.00 0.00 H new ATOM 0 HG23 ILE A 67 9.100 31.145 -0.012 1.00 0.00 H new ATOM 0 HD11 ILE A 67 9.500 32.309 -4.149 1.00 0.00 H new ATOM 0 HD12 ILE A 67 7.963 33.052 -3.646 1.00 0.00 H new ATOM 0 HD13 ILE A 67 9.385 33.139 -2.579 1.00 0.00 H new ATOM 1078 N THR A 68 6.830 29.870 1.315 1.00 0.00 N ATOM 1079 CA THR A 68 6.345 30.018 2.674 1.00 0.00 C ATOM 1080 C THR A 68 7.455 29.683 3.638 1.00 0.00 C ATOM 1081 O THR A 68 7.567 28.576 4.112 1.00 0.00 O ATOM 1082 CB THR A 68 5.192 29.037 2.904 1.00 0.00 C ATOM 1083 OG1 THR A 68 5.560 27.855 2.224 1.00 0.00 O ATOM 1084 CG2 THR A 68 3.909 29.508 2.200 1.00 0.00 C ATOM 0 H THR A 68 7.671 29.303 1.210 1.00 0.00 H new ATOM 0 HA THR A 68 6.008 31.043 2.831 1.00 0.00 H new ATOM 0 HB THR A 68 5.016 28.929 3.974 1.00 0.00 H new ATOM 0 HG1 THR A 68 6.398 27.510 2.597 1.00 0.00 H new ATOM 0 HG21 THR A 68 3.109 28.790 2.383 1.00 0.00 H new ATOM 0 HG22 THR A 68 3.617 30.483 2.590 1.00 0.00 H new ATOM 0 HG23 THR A 68 4.090 29.585 1.128 1.00 0.00 H new ATOM 1092 N TYR A 69 8.221 30.691 3.873 1.00 0.00 N ATOM 1093 CA TYR A 69 9.413 30.654 4.808 1.00 0.00 C ATOM 1094 C TYR A 69 10.591 31.254 4.079 1.00 0.00 C ATOM 1095 O TYR A 69 10.780 30.972 2.925 1.00 0.00 O ATOM 1096 CB TYR A 69 9.769 29.211 5.225 1.00 0.00 C ATOM 1097 CG TYR A 69 11.082 29.223 6.015 1.00 0.00 C ATOM 1098 CD1 TYR A 69 11.079 29.481 7.372 1.00 0.00 C ATOM 1099 CD2 TYR A 69 12.285 28.972 5.387 1.00 0.00 C ATOM 1100 CE1 TYR A 69 12.259 29.490 8.089 1.00 0.00 C ATOM 1101 CE2 TYR A 69 13.467 28.979 6.105 1.00 0.00 C ATOM 1102 CZ TYR A 69 13.462 29.238 7.461 1.00 0.00 C ATOM 1103 OH TYR A 69 14.642 29.243 8.179 1.00 0.00 O ATOM 0 H TYR A 69 8.079 31.603 3.439 1.00 0.00 H new ATOM 0 HA TYR A 69 9.169 31.213 5.712 1.00 0.00 H new ATOM 0 HB2 TYR A 69 8.969 28.788 5.833 1.00 0.00 H new ATOM 0 HB3 TYR A 69 9.868 28.579 4.343 1.00 0.00 H new ATOM 0 HD1 TYR A 69 10.145 29.678 7.877 1.00 0.00 H new ATOM 0 HD2 TYR A 69 12.304 28.769 4.327 1.00 0.00 H new ATOM 0 HE1 TYR A 69 12.241 29.696 9.149 1.00 0.00 H new ATOM 0 HE2 TYR A 69 14.401 28.780 5.601 1.00 0.00 H new ATOM 0 HH TYR A 69 15.391 29.045 7.579 1.00 0.00 H new ATOM 1113 N ARG A 70 11.358 32.085 4.746 1.00 0.00 N ATOM 1114 CA ARG A 70 12.523 32.693 4.054 1.00 0.00 C ATOM 1115 C ARG A 70 13.761 32.743 4.930 1.00 0.00 C ATOM 1116 O ARG A 70 13.676 32.835 6.140 1.00 0.00 O ATOM 1117 CB ARG A 70 12.143 34.114 3.615 1.00 0.00 C ATOM 1118 CG ARG A 70 12.032 35.017 4.831 1.00 0.00 C ATOM 1119 CD ARG A 70 10.816 34.600 5.656 1.00 0.00 C ATOM 1120 NE ARG A 70 10.132 35.824 6.159 1.00 0.00 N ATOM 1121 CZ ARG A 70 9.251 35.724 7.120 1.00 0.00 C ATOM 1122 NH1 ARG A 70 9.648 35.334 8.299 1.00 0.00 N ATOM 1123 NH2 ARG A 70 8.006 36.022 6.866 1.00 0.00 N ATOM 0 H ARG A 70 11.227 32.360 5.719 1.00 0.00 H new ATOM 0 HA ARG A 70 12.768 32.069 3.194 1.00 0.00 H new ATOM 0 HB2 ARG A 70 12.894 34.505 2.928 1.00 0.00 H new ATOM 0 HB3 ARG A 70 11.196 34.097 3.076 1.00 0.00 H new ATOM 0 HG2 ARG A 70 12.937 34.948 5.434 1.00 0.00 H new ATOM 0 HG3 ARG A 70 11.936 36.057 4.519 1.00 0.00 H new ATOM 0 HD2 ARG A 70 10.132 34.009 5.047 1.00 0.00 H new ATOM 0 HD3 ARG A 70 11.125 33.971 6.491 1.00 0.00 H new ATOM 0 HE ARG A 70 10.350 36.735 5.756 1.00 0.00 H new ATOM 0 HH11 ARG A 70 10.631 35.113 8.459 1.00 0.00 H new ATOM 0 HH12 ARG A 70 8.976 35.250 9.061 1.00 0.00 H new ATOM 0 HH21 ARG A 70 7.735 36.327 5.931 1.00 0.00 H new ATOM 0 HH22 ARG A 70 7.304 35.950 7.602 1.00 0.00 H new ATOM 1137 N ALA A 71 14.901 32.671 4.286 1.00 0.00 N ATOM 1138 CA ALA A 71 16.174 32.709 5.028 1.00 0.00 C ATOM 1139 C ALA A 71 17.218 33.521 4.268 1.00 0.00 C ATOM 1140 O ALA A 71 17.170 33.625 3.049 1.00 0.00 O ATOM 1141 CB ALA A 71 16.689 31.271 5.185 1.00 0.00 C ATOM 0 H ALA A 71 14.992 32.587 3.274 1.00 0.00 H new ATOM 0 HA ALA A 71 16.005 33.173 6.000 1.00 0.00 H new ATOM 0 HB1 ALA A 71 17.632 31.280 5.732 1.00 0.00 H new ATOM 0 HB2 ALA A 71 15.956 30.680 5.734 1.00 0.00 H new ATOM 0 HB3 ALA A 71 16.846 30.831 4.200 1.00 0.00 H new ATOM 1147 N ARG A 72 18.144 34.080 5.002 1.00 0.00 N ATOM 1148 CA ARG A 72 19.205 34.893 4.354 1.00 0.00 C ATOM 1149 C ARG A 72 19.906 34.104 3.258 1.00 0.00 C ATOM 1150 O ARG A 72 20.614 34.747 2.500 1.00 0.00 O ATOM 1151 CB ARG A 72 20.244 35.281 5.420 1.00 0.00 C ATOM 1152 CG ARG A 72 20.323 34.184 6.488 1.00 0.00 C ATOM 1153 CD ARG A 72 20.545 32.826 5.816 1.00 0.00 C ATOM 1154 NE ARG A 72 21.167 31.898 6.800 1.00 0.00 N ATOM 1155 CZ ARG A 72 20.634 30.726 6.999 1.00 0.00 C ATOM 1156 NH1 ARG A 72 19.717 30.599 7.919 1.00 0.00 N ATOM 1157 NH2 ARG A 72 21.032 29.719 6.269 1.00 0.00 N ATOM 1158 OXT ARG A 72 19.698 32.903 3.239 1.00 0.00 O ATOM 0 H ARG A 72 18.208 34.007 6.017 1.00 0.00 H new ATOM 0 HA ARG A 72 18.747 35.777 3.910 1.00 0.00 H new ATOM 0 HB2 ARG A 72 21.220 35.421 4.956 1.00 0.00 H new ATOM 0 HB3 ARG A 72 19.970 36.231 5.880 1.00 0.00 H new ATOM 0 HG2 ARG A 72 21.137 34.395 7.181 1.00 0.00 H new ATOM 0 HG3 ARG A 72 19.403 34.165 7.073 1.00 0.00 H new ATOM 0 HD2 ARG A 72 19.597 32.421 5.463 1.00 0.00 H new ATOM 0 HD3 ARG A 72 21.189 32.938 4.944 1.00 0.00 H new ATOM 0 HE ARG A 72 22.003 32.177 7.314 1.00 0.00 H new ATOM 0 HH11 ARG A 72 19.429 31.409 8.468 1.00 0.00 H new ATOM 0 HH12 ARG A 72 19.288 29.689 8.089 1.00 0.00 H new ATOM 0 HH21 ARG A 72 21.749 29.857 5.557 1.00 0.00 H new ATOM 0 HH22 ARG A 72 20.626 28.794 6.411 1.00 0.00 H new