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 39:sc= 0.0531 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= -0.0186 USER MOD Single : A 19 ASN : amide:sc= -4.13! C(o=-4.1!,f=-3.8!) USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.0959 USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= -5! C(o=-5!,f=-8.7!) USER MOD Single : A 37 SER OG : rot 180:sc= 0.00755 USER MOD Single : A 39 LYS NZ :NH3+ -108:sc= -0.689 (180deg=-2.89!) USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -159:sc= -0.0904 (180deg=-0.692) USER MOD Single : A 43 ASN :FLIP amide:sc= -0.411 F(o=-3.9!,f=-0.41) 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=-0.00326 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 120:sc= -0.963 USER MOD Single : A 64 LYS NZ :NH3+ -150:sc= -0.133 (180deg=-0.769) USER MOD Single : A 68 THR OG1 : rot 57:sc= 0.0757 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 77 N SER A 6 1.492 16.822 -2.404 1.00 0.00 N ATOM 78 CA SER A 6 2.445 17.939 -2.609 1.00 0.00 C ATOM 79 C SER A 6 3.817 17.591 -2.049 1.00 0.00 C ATOM 80 O SER A 6 4.023 16.510 -1.531 1.00 0.00 O ATOM 81 CB SER A 6 1.911 19.172 -1.867 1.00 0.00 C ATOM 82 OG SER A 6 0.651 19.422 -2.472 1.00 0.00 O ATOM 0 HA SER A 6 2.542 18.132 -3.677 1.00 0.00 H new ATOM 0 HB2 SER A 6 1.809 18.981 -0.799 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.582 20.024 -1.976 1.00 0.00 H new ATOM 0 HG SER A 6 0.202 18.571 -2.656 1.00 0.00 H new ATOM 88 N PHE A 7 4.733 18.513 -2.163 1.00 0.00 N ATOM 89 CA PHE A 7 6.097 18.254 -1.643 1.00 0.00 C ATOM 90 C PHE A 7 6.715 19.535 -1.109 1.00 0.00 C ATOM 91 O PHE A 7 6.211 20.610 -1.357 1.00 0.00 O ATOM 92 CB PHE A 7 6.968 17.732 -2.796 1.00 0.00 C ATOM 93 CG PHE A 7 6.570 16.292 -3.124 1.00 0.00 C ATOM 94 CD1 PHE A 7 7.187 15.229 -2.487 1.00 0.00 C ATOM 95 CD2 PHE A 7 5.594 16.033 -4.070 1.00 0.00 C ATOM 96 CE1 PHE A 7 6.833 13.932 -2.792 1.00 0.00 C ATOM 97 CE2 PHE A 7 5.243 14.733 -4.372 1.00 0.00 C ATOM 98 CZ PHE A 7 5.862 13.685 -3.734 1.00 0.00 C ATOM 0 H PHE A 7 4.594 19.428 -2.592 1.00 0.00 H new ATOM 0 HA PHE A 7 6.039 17.524 -0.836 1.00 0.00 H new ATOM 0 HB2 PHE A 7 6.843 18.364 -3.675 1.00 0.00 H new ATOM 0 HB3 PHE A 7 8.021 17.775 -2.519 1.00 0.00 H new ATOM 0 HD1 PHE A 7 7.950 15.417 -1.747 1.00 0.00 H new ATOM 0 HD2 PHE A 7 5.104 16.853 -4.575 1.00 0.00 H new ATOM 0 HE1 PHE A 7 7.319 13.108 -2.290 1.00 0.00 H new ATOM 0 HE2 PHE A 7 4.480 14.539 -5.111 1.00 0.00 H new ATOM 0 HZ PHE A 7 5.586 12.668 -3.972 1.00 0.00 H new ATOM 108 N GLU A 8 7.798 19.391 -0.382 1.00 0.00 N ATOM 109 CA GLU A 8 8.478 20.589 0.186 1.00 0.00 C ATOM 110 C GLU A 8 9.947 20.604 -0.207 1.00 0.00 C ATOM 111 O GLU A 8 10.616 19.592 -0.156 1.00 0.00 O ATOM 112 CB GLU A 8 8.380 20.525 1.719 1.00 0.00 C ATOM 113 CG GLU A 8 8.490 19.070 2.172 1.00 0.00 C ATOM 114 CD GLU A 8 8.350 19.001 3.694 1.00 0.00 C ATOM 115 OE1 GLU A 8 9.146 19.664 4.341 1.00 0.00 O ATOM 116 OE2 GLU A 8 7.457 18.291 4.124 1.00 0.00 O ATOM 0 H GLU A 8 8.236 18.497 -0.160 1.00 0.00 H new ATOM 0 HA GLU A 8 7.998 21.489 -0.199 1.00 0.00 H new ATOM 0 HB2 GLU A 8 9.174 21.119 2.171 1.00 0.00 H new ATOM 0 HB3 GLU A 8 7.434 20.951 2.052 1.00 0.00 H new ATOM 0 HG2 GLU A 8 7.714 18.470 1.697 1.00 0.00 H new ATOM 0 HG3 GLU A 8 9.449 18.653 1.864 1.00 0.00 H new ATOM 123 N MET A 9 10.423 21.753 -0.594 1.00 0.00 N ATOM 124 CA MET A 9 11.845 21.852 -0.994 1.00 0.00 C ATOM 125 C MET A 9 12.316 23.300 -0.948 1.00 0.00 C ATOM 126 O MET A 9 11.639 24.191 -1.423 1.00 0.00 O ATOM 127 CB MET A 9 11.978 21.332 -2.435 1.00 0.00 C ATOM 128 CG MET A 9 13.453 21.061 -2.736 1.00 0.00 C ATOM 129 SD MET A 9 14.274 19.768 -1.774 1.00 0.00 S ATOM 130 CE MET A 9 15.857 19.800 -2.653 1.00 0.00 C ATOM 0 H MET A 9 9.890 22.621 -0.649 1.00 0.00 H new ATOM 0 HA MET A 9 12.454 21.264 -0.307 1.00 0.00 H new ATOM 0 HB2 MET A 9 11.395 20.420 -2.561 1.00 0.00 H new ATOM 0 HB3 MET A 9 11.579 22.064 -3.137 1.00 0.00 H new ATOM 0 HG2 MET A 9 13.540 20.802 -3.791 1.00 0.00 H new ATOM 0 HG3 MET A 9 14.003 21.991 -2.590 1.00 0.00 H new ATOM 0 HE1 MET A 9 16.531 19.064 -2.215 1.00 0.00 H new ATOM 0 HE2 MET A 9 15.694 19.563 -3.704 1.00 0.00 H new ATOM 0 HE3 MET A 9 16.300 20.792 -2.569 1.00 0.00 H new ATOM 140 N GLU A 10 13.469 23.511 -0.376 1.00 0.00 N ATOM 141 CA GLU A 10 13.995 24.892 -0.292 1.00 0.00 C ATOM 142 C GLU A 10 14.636 25.309 -1.611 1.00 0.00 C ATOM 143 O GLU A 10 15.159 24.487 -2.337 1.00 0.00 O ATOM 144 CB GLU A 10 15.065 24.941 0.813 1.00 0.00 C ATOM 145 CG GLU A 10 14.603 24.095 2.002 1.00 0.00 C ATOM 146 CD GLU A 10 15.746 23.978 3.012 1.00 0.00 C ATOM 147 OE1 GLU A 10 16.004 24.981 3.656 1.00 0.00 O ATOM 148 OE2 GLU A 10 16.297 22.892 3.082 1.00 0.00 O ATOM 0 H GLU A 10 14.062 22.789 0.033 1.00 0.00 H new ATOM 0 HA GLU A 10 13.172 25.572 -0.071 1.00 0.00 H new ATOM 0 HB2 GLU A 10 16.015 24.566 0.432 1.00 0.00 H new ATOM 0 HB3 GLU A 10 15.232 25.971 1.128 1.00 0.00 H new ATOM 0 HG2 GLU A 10 13.732 24.552 2.472 1.00 0.00 H new ATOM 0 HG3 GLU A 10 14.299 23.105 1.663 1.00 0.00 H new ATOM 155 N GLY A 11 14.578 26.580 -1.896 1.00 0.00 N ATOM 156 CA GLY A 11 15.182 27.075 -3.169 1.00 0.00 C ATOM 157 C GLY A 11 15.415 28.586 -3.078 1.00 0.00 C ATOM 158 O GLY A 11 14.910 29.234 -2.183 1.00 0.00 O ATOM 0 H GLY A 11 14.143 27.293 -1.310 1.00 0.00 H new ATOM 0 HA2 GLY A 11 16.125 26.563 -3.358 1.00 0.00 H new ATOM 0 HA3 GLY A 11 14.523 26.849 -4.007 1.00 0.00 H new ATOM 162 N THR A 12 16.170 29.114 -4.009 1.00 0.00 N ATOM 163 CA THR A 12 16.443 30.577 -3.987 1.00 0.00 C ATOM 164 C THR A 12 15.538 31.286 -4.972 1.00 0.00 C ATOM 165 O THR A 12 15.151 30.712 -5.957 1.00 0.00 O ATOM 166 CB THR A 12 17.900 30.806 -4.404 1.00 0.00 C ATOM 167 OG1 THR A 12 18.651 29.864 -3.665 1.00 0.00 O ATOM 168 CG2 THR A 12 18.405 32.172 -3.917 1.00 0.00 C ATOM 0 H THR A 12 16.604 28.598 -4.775 1.00 0.00 H new ATOM 0 HA THR A 12 16.262 30.967 -2.985 1.00 0.00 H new ATOM 0 HB THR A 12 17.988 30.734 -5.488 1.00 0.00 H new ATOM 0 HG1 THR A 12 19.601 29.956 -3.888 1.00 0.00 H new ATOM 0 HG21 THR A 12 19.441 32.308 -4.227 1.00 0.00 H new ATOM 0 HG22 THR A 12 17.790 32.962 -4.349 1.00 0.00 H new ATOM 0 HG23 THR A 12 18.342 32.217 -2.830 1.00 0.00 H new ATOM 176 N VAL A 13 15.242 32.534 -4.702 1.00 0.00 N ATOM 177 CA VAL A 13 14.327 33.301 -5.663 1.00 0.00 C ATOM 178 C VAL A 13 15.029 34.314 -6.549 1.00 0.00 C ATOM 179 O VAL A 13 15.390 35.369 -6.093 1.00 0.00 O ATOM 180 CB VAL A 13 13.333 34.109 -4.836 1.00 0.00 C ATOM 181 CG1 VAL A 13 12.420 34.892 -5.784 1.00 0.00 C ATOM 182 CG2 VAL A 13 12.490 33.141 -3.996 1.00 0.00 C ATOM 0 H VAL A 13 15.572 33.058 -3.891 1.00 0.00 H new ATOM 0 HA VAL A 13 13.882 32.539 -6.303 1.00 0.00 H new ATOM 0 HB VAL A 13 13.860 34.802 -4.181 1.00 0.00 H new ATOM 0 HG11 VAL A 13 11.705 35.474 -5.202 1.00 0.00 H new ATOM 0 HG12 VAL A 13 13.022 35.564 -6.396 1.00 0.00 H new ATOM 0 HG13 VAL A 13 11.883 34.197 -6.429 1.00 0.00 H new ATOM 0 HG21 VAL A 13 11.774 33.706 -3.399 1.00 0.00 H new ATOM 0 HG22 VAL A 13 11.954 32.459 -4.656 1.00 0.00 H new ATOM 0 HG23 VAL A 13 13.142 32.570 -3.336 1.00 0.00 H new ATOM 192 N VAL A 14 15.159 34.017 -7.829 1.00 0.00 N ATOM 193 CA VAL A 14 15.819 34.978 -8.684 1.00 0.00 C ATOM 194 C VAL A 14 15.306 34.865 -10.118 1.00 0.00 C ATOM 195 O VAL A 14 15.852 34.181 -10.960 1.00 0.00 O ATOM 196 CB VAL A 14 17.319 34.667 -8.652 1.00 0.00 C ATOM 197 CG1 VAL A 14 18.068 35.862 -8.065 1.00 0.00 C ATOM 198 CG2 VAL A 14 17.572 33.435 -7.776 1.00 0.00 C ATOM 0 H VAL A 14 14.834 33.162 -8.280 1.00 0.00 H new ATOM 0 HA VAL A 14 15.618 35.990 -8.333 1.00 0.00 H new ATOM 0 HB VAL A 14 17.670 34.470 -9.665 1.00 0.00 H new ATOM 0 HG11 VAL A 14 19.136 35.645 -8.040 1.00 0.00 H new ATOM 0 HG12 VAL A 14 17.890 36.742 -8.683 1.00 0.00 H new ATOM 0 HG13 VAL A 14 17.713 36.052 -7.052 1.00 0.00 H new ATOM 0 HG21 VAL A 14 18.640 33.216 -7.755 1.00 0.00 H new ATOM 0 HG22 VAL A 14 17.222 33.631 -6.763 1.00 0.00 H new ATOM 0 HG23 VAL A 14 17.035 32.580 -8.186 1.00 0.00 H new ATOM 208 N ASP A 15 14.239 35.538 -10.319 1.00 0.00 N ATOM 209 CA ASP A 15 13.572 35.586 -11.628 1.00 0.00 C ATOM 210 C ASP A 15 12.243 36.313 -11.438 1.00 0.00 C ATOM 211 O ASP A 15 11.551 36.048 -10.474 1.00 0.00 O ATOM 212 CB ASP A 15 13.337 34.173 -12.154 1.00 0.00 C ATOM 213 CG ASP A 15 14.473 33.788 -13.107 1.00 0.00 C ATOM 214 OD1 ASP A 15 14.723 34.580 -13.999 1.00 0.00 O ATOM 215 OD2 ASP A 15 15.025 32.721 -12.888 1.00 0.00 O ATOM 0 H ASP A 15 13.774 36.087 -9.596 1.00 0.00 H new ATOM 0 HA ASP A 15 14.192 36.110 -12.356 1.00 0.00 H new ATOM 0 HB2 ASP A 15 13.289 33.468 -11.324 1.00 0.00 H new ATOM 0 HB3 ASP A 15 12.380 34.121 -12.672 1.00 0.00 H new ATOM 220 N THR A 16 11.896 37.196 -12.330 1.00 0.00 N ATOM 221 CA THR A 16 10.594 37.927 -12.164 1.00 0.00 C ATOM 222 C THR A 16 9.559 37.471 -13.172 1.00 0.00 C ATOM 223 O THR A 16 9.884 37.118 -14.287 1.00 0.00 O ATOM 224 CB THR A 16 10.851 39.424 -12.376 1.00 0.00 C ATOM 225 OG1 THR A 16 9.577 40.035 -12.316 1.00 0.00 O ATOM 226 CG2 THR A 16 11.341 39.697 -13.806 1.00 0.00 C ATOM 0 H THR A 16 12.441 37.446 -13.155 1.00 0.00 H new ATOM 0 HA THR A 16 10.210 37.721 -11.165 1.00 0.00 H new ATOM 0 HB THR A 16 11.579 39.780 -11.647 1.00 0.00 H new ATOM 0 HG1 THR A 16 9.672 41.002 -12.444 1.00 0.00 H new ATOM 0 HG21 THR A 16 11.517 40.765 -13.933 1.00 0.00 H new ATOM 0 HG22 THR A 16 12.269 39.153 -13.983 1.00 0.00 H new ATOM 0 HG23 THR A 16 10.586 39.366 -14.519 1.00 0.00 H new ATOM 234 N LEU A 17 8.318 37.493 -12.743 1.00 0.00 N ATOM 235 CA LEU A 17 7.210 37.072 -13.631 1.00 0.00 C ATOM 236 C LEU A 17 6.075 38.114 -13.585 1.00 0.00 C ATOM 237 O LEU A 17 6.075 38.986 -12.730 1.00 0.00 O ATOM 238 CB LEU A 17 6.698 35.730 -13.116 1.00 0.00 C ATOM 239 CG LEU A 17 7.740 34.662 -13.439 1.00 0.00 C ATOM 240 CD1 LEU A 17 7.223 33.321 -12.983 1.00 0.00 C ATOM 241 CD2 LEU A 17 7.971 34.614 -14.948 1.00 0.00 C ATOM 0 H LEU A 17 8.033 37.788 -11.809 1.00 0.00 H new ATOM 0 HA LEU A 17 7.555 36.986 -14.661 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.524 35.777 -12.041 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.744 35.483 -13.583 1.00 0.00 H new ATOM 0 HG LEU A 17 8.675 34.899 -12.932 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.960 32.551 -13.209 1.00 0.00 H new ATOM 0 HD12 LEU A 17 7.043 33.347 -11.908 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.291 33.095 -13.501 1.00 0.00 H new ATOM 0 HD21 LEU A 17 8.715 33.851 -15.178 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.035 34.372 -15.452 1.00 0.00 H new ATOM 0 HD23 LEU A 17 8.328 35.585 -15.293 1.00 0.00 H new ATOM 253 N PRO A 18 5.080 37.982 -14.467 1.00 0.00 N ATOM 254 CA PRO A 18 3.975 38.933 -14.484 1.00 0.00 C ATOM 255 C PRO A 18 2.789 38.404 -13.703 1.00 0.00 C ATOM 256 O PRO A 18 2.699 37.227 -13.431 1.00 0.00 O ATOM 257 CB PRO A 18 3.580 39.001 -15.970 1.00 0.00 C ATOM 258 CG PRO A 18 4.189 37.729 -16.654 1.00 0.00 C ATOM 259 CD PRO A 18 5.090 37.046 -15.605 1.00 0.00 C ATOM 0 HA PRO A 18 4.256 39.890 -14.045 1.00 0.00 H new ATOM 0 HB2 PRO A 18 2.496 39.020 -16.082 1.00 0.00 H new ATOM 0 HB3 PRO A 18 3.964 39.911 -16.432 1.00 0.00 H new ATOM 0 HG2 PRO A 18 3.400 37.053 -16.985 1.00 0.00 H new ATOM 0 HG3 PRO A 18 4.765 38.004 -17.538 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.702 36.068 -15.321 1.00 0.00 H new ATOM 0 HD3 PRO A 18 6.099 36.890 -15.986 1.00 0.00 H new ATOM 267 N ASN A 19 1.908 39.301 -13.346 1.00 0.00 N ATOM 268 CA ASN A 19 0.710 38.902 -12.575 1.00 0.00 C ATOM 269 C ASN A 19 1.115 38.673 -11.130 1.00 0.00 C ATOM 270 O ASN A 19 0.511 37.893 -10.423 1.00 0.00 O ATOM 271 CB ASN A 19 0.127 37.594 -13.151 1.00 0.00 C ATOM 272 CG ASN A 19 0.417 37.516 -14.651 1.00 0.00 C ATOM 273 OD1 ASN A 19 0.893 36.516 -15.153 1.00 0.00 O ATOM 274 ND2 ASN A 19 0.141 38.547 -15.402 1.00 0.00 N ATOM 0 H ASN A 19 1.973 40.296 -13.560 1.00 0.00 H new ATOM 0 HA ASN A 19 -0.043 39.687 -12.637 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.563 36.735 -12.641 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -0.948 37.556 -12.976 1.00 0.00 H new ATOM 0 HD21 ASN A 19 0.325 38.511 -16.405 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -0.258 39.388 -14.986 1.00 0.00 H new ATOM 281 N THR A 20 2.154 39.371 -10.726 1.00 0.00 N ATOM 282 CA THR A 20 2.648 39.236 -9.337 1.00 0.00 C ATOM 283 C THR A 20 3.187 37.839 -9.107 1.00 0.00 C ATOM 284 O THR A 20 2.668 37.100 -8.294 1.00 0.00 O ATOM 285 CB THR A 20 1.487 39.494 -8.368 1.00 0.00 C ATOM 286 OG1 THR A 20 0.744 40.544 -8.949 1.00 0.00 O ATOM 287 CG2 THR A 20 2.004 40.075 -7.042 1.00 0.00 C ATOM 0 H THR A 20 2.675 40.027 -11.308 1.00 0.00 H new ATOM 0 HA THR A 20 3.448 39.957 -9.169 1.00 0.00 H new ATOM 0 HB THR A 20 0.937 38.569 -8.193 1.00 0.00 H new ATOM 0 HG1 THR A 20 -0.021 40.760 -8.376 1.00 0.00 H new ATOM 0 HG21 THR A 20 1.164 40.250 -6.370 1.00 0.00 H new ATOM 0 HG22 THR A 20 2.697 39.370 -6.582 1.00 0.00 H new ATOM 0 HG23 THR A 20 2.518 41.017 -7.233 1.00 0.00 H new ATOM 295 N MET A 21 4.229 37.494 -9.838 1.00 0.00 N ATOM 296 CA MET A 21 4.816 36.137 -9.669 1.00 0.00 C ATOM 297 C MET A 21 6.339 36.186 -9.656 1.00 0.00 C ATOM 298 O MET A 21 6.940 37.175 -10.023 1.00 0.00 O ATOM 299 CB MET A 21 4.356 35.271 -10.854 1.00 0.00 C ATOM 300 CG MET A 21 2.934 34.770 -10.588 1.00 0.00 C ATOM 301 SD MET A 21 2.745 33.348 -9.486 1.00 0.00 S ATOM 302 CE MET A 21 1.560 32.431 -10.502 1.00 0.00 C ATOM 0 H MET A 21 4.685 38.088 -10.530 1.00 0.00 H new ATOM 0 HA MET A 21 4.483 35.723 -8.717 1.00 0.00 H new ATOM 0 HB2 MET A 21 4.384 35.851 -11.776 1.00 0.00 H new ATOM 0 HB3 MET A 21 5.033 34.427 -10.988 1.00 0.00 H new ATOM 0 HG2 MET A 21 2.358 35.597 -10.173 1.00 0.00 H new ATOM 0 HG3 MET A 21 2.482 34.516 -11.547 1.00 0.00 H new ATOM 0 HE1 MET A 21 1.298 31.498 -10.003 1.00 0.00 H new ATOM 0 HE2 MET A 21 0.661 33.031 -10.644 1.00 0.00 H new ATOM 0 HE3 MET A 21 2.006 32.211 -11.472 1.00 0.00 H new ATOM 312 N PHE A 22 6.927 35.104 -9.228 1.00 0.00 N ATOM 313 CA PHE A 22 8.397 35.030 -9.171 1.00 0.00 C ATOM 314 C PHE A 22 8.818 33.578 -9.321 1.00 0.00 C ATOM 315 O PHE A 22 8.016 32.688 -9.107 1.00 0.00 O ATOM 316 CB PHE A 22 8.859 35.543 -7.798 1.00 0.00 C ATOM 317 CG PHE A 22 7.980 36.725 -7.370 1.00 0.00 C ATOM 318 CD1 PHE A 22 8.297 38.015 -7.761 1.00 0.00 C ATOM 319 CD2 PHE A 22 6.862 36.520 -6.576 1.00 0.00 C ATOM 320 CE1 PHE A 22 7.512 39.078 -7.364 1.00 0.00 C ATOM 321 CE2 PHE A 22 6.080 37.588 -6.182 1.00 0.00 C ATOM 322 CZ PHE A 22 6.405 38.864 -6.577 1.00 0.00 C ATOM 0 H PHE A 22 6.440 34.265 -8.914 1.00 0.00 H new ATOM 0 HA PHE A 22 8.839 35.631 -9.966 1.00 0.00 H new ATOM 0 HB2 PHE A 22 8.796 34.744 -7.060 1.00 0.00 H new ATOM 0 HB3 PHE A 22 9.903 35.852 -7.846 1.00 0.00 H new ATOM 0 HD1 PHE A 22 9.164 38.190 -8.381 1.00 0.00 H new ATOM 0 HD2 PHE A 22 6.601 35.520 -6.264 1.00 0.00 H new ATOM 0 HE1 PHE A 22 7.768 40.081 -7.672 1.00 0.00 H new ATOM 0 HE2 PHE A 22 5.211 37.420 -5.562 1.00 0.00 H new ATOM 0 HZ PHE A 22 5.791 39.698 -6.269 1.00 0.00 H new ATOM 332 N ARG A 23 10.054 33.355 -9.684 1.00 0.00 N ATOM 333 CA ARG A 23 10.526 31.950 -9.848 1.00 0.00 C ATOM 334 C ARG A 23 11.634 31.621 -8.877 1.00 0.00 C ATOM 335 O ARG A 23 12.486 32.454 -8.588 1.00 0.00 O ATOM 336 CB ARG A 23 11.039 31.803 -11.283 1.00 0.00 C ATOM 337 CG ARG A 23 12.223 30.824 -11.328 1.00 0.00 C ATOM 338 CD ARG A 23 12.396 30.304 -12.761 1.00 0.00 C ATOM 339 NE ARG A 23 12.045 31.392 -13.719 1.00 0.00 N ATOM 340 CZ ARG A 23 12.057 31.146 -15.002 1.00 0.00 C ATOM 341 NH1 ARG A 23 13.205 31.081 -15.623 1.00 0.00 N ATOM 342 NH2 ARG A 23 10.922 30.977 -15.624 1.00 0.00 N ATOM 0 H ARG A 23 10.750 34.077 -9.872 1.00 0.00 H new ATOM 0 HA ARG A 23 9.704 31.263 -9.647 1.00 0.00 H new ATOM 0 HB2 ARG A 23 10.237 31.444 -11.928 1.00 0.00 H new ATOM 0 HB3 ARG A 23 11.347 32.775 -11.668 1.00 0.00 H new ATOM 0 HG2 ARG A 23 13.134 31.322 -10.997 1.00 0.00 H new ATOM 0 HG3 ARG A 23 12.048 29.992 -10.646 1.00 0.00 H new ATOM 0 HD2 ARG A 23 13.424 29.978 -12.922 1.00 0.00 H new ATOM 0 HD3 ARG A 23 11.757 29.436 -12.926 1.00 0.00 H new ATOM 0 HE ARG A 23 11.798 32.320 -13.375 1.00 0.00 H new ATOM 0 HH11 ARG A 23 14.073 31.221 -15.106 1.00 0.00 H new ATOM 0 HH12 ARG A 23 13.233 30.890 -16.625 1.00 0.00 H new ATOM 0 HH21 ARG A 23 10.044 31.038 -15.108 1.00 0.00 H new ATOM 0 HH22 ARG A 23 10.913 30.784 -16.626 1.00 0.00 H new ATOM 356 N VAL A 24 11.615 30.394 -8.398 1.00 0.00 N ATOM 357 CA VAL A 24 12.641 29.968 -7.450 1.00 0.00 C ATOM 358 C VAL A 24 13.410 28.830 -8.048 1.00 0.00 C ATOM 359 O VAL A 24 12.837 27.956 -8.671 1.00 0.00 O ATOM 360 CB VAL A 24 11.959 29.534 -6.148 1.00 0.00 C ATOM 361 CG1 VAL A 24 11.088 28.319 -6.406 1.00 0.00 C ATOM 362 CG2 VAL A 24 13.030 29.182 -5.111 1.00 0.00 C ATOM 0 H VAL A 24 10.922 29.685 -8.637 1.00 0.00 H new ATOM 0 HA VAL A 24 13.330 30.784 -7.234 1.00 0.00 H new ATOM 0 HB VAL A 24 11.338 30.348 -5.775 1.00 0.00 H new ATOM 0 HG11 VAL A 24 10.605 28.014 -5.478 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.327 28.567 -7.146 1.00 0.00 H new ATOM 0 HG13 VAL A 24 11.705 27.502 -6.780 1.00 0.00 H new ATOM 0 HG21 VAL A 24 12.550 28.873 -4.183 1.00 0.00 H new ATOM 0 HG22 VAL A 24 13.648 28.368 -5.489 1.00 0.00 H new ATOM 0 HG23 VAL A 24 13.655 30.055 -4.923 1.00 0.00 H new ATOM 372 N GLU A 25 14.692 28.844 -7.847 1.00 0.00 N ATOM 373 CA GLU A 25 15.513 27.764 -8.411 1.00 0.00 C ATOM 374 C GLU A 25 15.848 26.674 -7.417 1.00 0.00 C ATOM 375 O GLU A 25 16.262 26.904 -6.298 1.00 0.00 O ATOM 376 CB GLU A 25 16.827 28.377 -8.913 1.00 0.00 C ATOM 377 CG GLU A 25 16.540 29.226 -10.154 1.00 0.00 C ATOM 378 CD GLU A 25 17.838 29.431 -10.936 1.00 0.00 C ATOM 379 OE1 GLU A 25 18.663 30.173 -10.429 1.00 0.00 O ATOM 380 OE2 GLU A 25 17.932 28.831 -11.993 1.00 0.00 O ATOM 0 H GLU A 25 15.199 29.555 -7.319 1.00 0.00 H new ATOM 0 HA GLU A 25 14.933 27.301 -9.209 1.00 0.00 H new ATOM 0 HB2 GLU A 25 17.278 28.991 -8.133 1.00 0.00 H new ATOM 0 HB3 GLU A 25 17.542 27.590 -9.153 1.00 0.00 H new ATOM 0 HG2 GLU A 25 15.797 28.734 -10.782 1.00 0.00 H new ATOM 0 HG3 GLU A 25 16.122 30.189 -9.861 1.00 0.00 H new ATOM 387 N LEU A 26 15.642 25.525 -7.891 1.00 0.00 N ATOM 388 CA LEU A 26 15.878 24.303 -7.167 1.00 0.00 C ATOM 389 C LEU A 26 16.765 23.558 -8.112 1.00 0.00 C ATOM 390 O LEU A 26 16.658 22.361 -8.295 1.00 0.00 O ATOM 391 CB LEU A 26 14.555 23.559 -6.904 1.00 0.00 C ATOM 392 CG LEU A 26 13.534 24.557 -6.349 1.00 0.00 C ATOM 393 CD1 LEU A 26 12.343 24.646 -7.300 1.00 0.00 C ATOM 394 CD2 LEU A 26 13.047 24.076 -4.979 1.00 0.00 C ATOM 0 H LEU A 26 15.288 25.373 -8.835 1.00 0.00 H new ATOM 0 HA LEU A 26 16.318 24.439 -6.179 1.00 0.00 H new ATOM 0 HB2 LEU A 26 14.183 23.111 -7.826 1.00 0.00 H new ATOM 0 HB3 LEU A 26 14.713 22.746 -6.195 1.00 0.00 H new ATOM 0 HG LEU A 26 14.000 25.537 -6.251 1.00 0.00 H new ATOM 0 HD11 LEU A 26 11.615 25.356 -6.906 1.00 0.00 H new ATOM 0 HD12 LEU A 26 12.684 24.981 -8.280 1.00 0.00 H new ATOM 0 HD13 LEU A 26 11.878 23.665 -7.394 1.00 0.00 H new ATOM 0 HD21 LEU A 26 12.320 24.785 -4.582 1.00 0.00 H new ATOM 0 HD22 LEU A 26 12.580 23.097 -5.082 1.00 0.00 H new ATOM 0 HD23 LEU A 26 13.894 24.004 -4.297 1.00 0.00 H new ATOM 406 N GLU A 27 17.591 24.393 -8.786 1.00 0.00 N ATOM 407 CA GLU A 27 18.571 23.920 -9.805 1.00 0.00 C ATOM 408 C GLU A 27 19.196 22.621 -9.447 1.00 0.00 C ATOM 409 O GLU A 27 19.966 22.079 -10.217 1.00 0.00 O ATOM 410 CB GLU A 27 19.676 24.978 -9.933 1.00 0.00 C ATOM 411 CG GLU A 27 20.383 25.133 -8.584 1.00 0.00 C ATOM 412 CD GLU A 27 21.304 26.354 -8.631 1.00 0.00 C ATOM 413 OE1 GLU A 27 20.756 27.445 -8.675 1.00 0.00 O ATOM 414 OE2 GLU A 27 22.503 26.129 -8.619 1.00 0.00 O ATOM 0 H GLU A 27 17.601 25.403 -8.645 1.00 0.00 H new ATOM 0 HA GLU A 27 18.033 23.773 -10.742 1.00 0.00 H new ATOM 0 HB2 GLU A 27 20.392 24.683 -10.700 1.00 0.00 H new ATOM 0 HB3 GLU A 27 19.249 25.931 -10.245 1.00 0.00 H new ATOM 0 HG2 GLU A 27 19.648 25.248 -7.787 1.00 0.00 H new ATOM 0 HG3 GLU A 27 20.960 24.236 -8.358 1.00 0.00 H new ATOM 421 N ASN A 28 18.899 22.132 -8.306 1.00 0.00 N ATOM 422 CA ASN A 28 19.474 20.855 -7.940 1.00 0.00 C ATOM 423 C ASN A 28 18.748 19.848 -8.844 1.00 0.00 C ATOM 424 O ASN A 28 18.618 18.679 -8.538 1.00 0.00 O ATOM 425 CB ASN A 28 19.159 20.556 -6.463 1.00 0.00 C ATOM 426 CG ASN A 28 20.115 21.348 -5.565 1.00 0.00 C ATOM 427 OD1 ASN A 28 19.768 22.384 -5.030 1.00 0.00 O ATOM 428 ND2 ASN A 28 21.327 20.896 -5.371 1.00 0.00 N ATOM 0 H ASN A 28 18.284 22.562 -7.615 1.00 0.00 H new ATOM 0 HA ASN A 28 20.557 20.822 -8.059 1.00 0.00 H new ATOM 0 HB2 ASN A 28 18.127 20.824 -6.239 1.00 0.00 H new ATOM 0 HB3 ASN A 28 19.260 19.488 -6.268 1.00 0.00 H new ATOM 0 HD21 ASN A 28 21.974 21.411 -4.774 1.00 0.00 H new ATOM 0 HD22 ASN A 28 21.625 20.028 -5.816 1.00 0.00 H new ATOM 435 N GLY A 29 18.288 20.391 -9.981 1.00 0.00 N ATOM 436 CA GLY A 29 17.555 19.607 -10.993 1.00 0.00 C ATOM 437 C GLY A 29 16.093 20.129 -11.134 1.00 0.00 C ATOM 438 O GLY A 29 15.383 19.702 -12.024 1.00 0.00 O ATOM 0 H GLY A 29 18.410 21.374 -10.226 1.00 0.00 H new ATOM 0 HA2 GLY A 29 18.066 19.674 -11.954 1.00 0.00 H new ATOM 0 HA3 GLY A 29 17.546 18.554 -10.710 1.00 0.00 H new ATOM 442 N HIS A 30 15.669 21.046 -10.241 1.00 0.00 N ATOM 443 CA HIS A 30 14.257 21.582 -10.338 1.00 0.00 C ATOM 444 C HIS A 30 14.150 23.142 -10.433 1.00 0.00 C ATOM 445 O HIS A 30 14.888 23.865 -9.813 1.00 0.00 O ATOM 446 CB HIS A 30 13.491 21.115 -9.090 1.00 0.00 C ATOM 447 CG HIS A 30 12.818 19.774 -9.389 1.00 0.00 C ATOM 448 ND1 HIS A 30 11.818 19.626 -10.118 1.00 0.00 N ATOM 449 CD2 HIS A 30 13.150 18.504 -8.957 1.00 0.00 C ATOM 450 CE1 HIS A 30 11.475 18.408 -10.199 1.00 0.00 C ATOM 451 NE2 HIS A 30 12.272 17.609 -9.488 1.00 0.00 N ATOM 0 H HIS A 30 16.231 21.426 -9.479 1.00 0.00 H new ATOM 0 HA HIS A 30 13.839 21.197 -11.268 1.00 0.00 H new ATOM 0 HB2 HIS A 30 14.173 21.014 -8.246 1.00 0.00 H new ATOM 0 HB3 HIS A 30 12.743 21.856 -8.808 1.00 0.00 H new ATOM 0 HD2 HIS A 30 13.974 18.260 -8.303 1.00 0.00 H new ATOM 0 HE1 HIS A 30 10.633 18.057 -10.778 1.00 0.00 H new ATOM 0 HE2 HIS A 30 12.234 16.596 -9.373 1.00 0.00 H new ATOM 459 N VAL A 31 13.263 23.598 -11.277 1.00 0.00 N ATOM 460 CA VAL A 31 13.046 25.083 -11.458 1.00 0.00 C ATOM 461 C VAL A 31 11.524 25.315 -11.348 1.00 0.00 C ATOM 462 O VAL A 31 10.774 24.539 -11.907 1.00 0.00 O ATOM 463 CB VAL A 31 13.540 25.496 -12.855 1.00 0.00 C ATOM 464 CG1 VAL A 31 12.674 26.639 -13.389 1.00 0.00 C ATOM 465 CG2 VAL A 31 14.990 25.976 -12.749 1.00 0.00 C ATOM 0 H VAL A 31 12.669 23.007 -11.859 1.00 0.00 H new ATOM 0 HA VAL A 31 13.587 25.668 -10.714 1.00 0.00 H new ATOM 0 HB VAL A 31 13.475 24.644 -13.531 1.00 0.00 H new ATOM 0 HG11 VAL A 31 13.026 26.930 -14.379 1.00 0.00 H new ATOM 0 HG12 VAL A 31 11.637 26.310 -13.455 1.00 0.00 H new ATOM 0 HG13 VAL A 31 12.742 27.493 -12.714 1.00 0.00 H new ATOM 0 HG21 VAL A 31 15.349 26.271 -13.735 1.00 0.00 H new ATOM 0 HG22 VAL A 31 15.042 26.830 -12.074 1.00 0.00 H new ATOM 0 HG23 VAL A 31 15.613 25.169 -12.363 1.00 0.00 H new ATOM 475 N VAL A 32 11.063 26.345 -10.652 1.00 0.00 N ATOM 476 CA VAL A 32 9.579 26.519 -10.574 1.00 0.00 C ATOM 477 C VAL A 32 9.149 27.960 -10.474 1.00 0.00 C ATOM 478 O VAL A 32 9.953 28.869 -10.405 1.00 0.00 O ATOM 479 CB VAL A 32 9.098 25.825 -9.318 1.00 0.00 C ATOM 480 CG1 VAL A 32 7.591 25.695 -9.361 1.00 0.00 C ATOM 481 CG2 VAL A 32 9.718 24.432 -9.223 1.00 0.00 C ATOM 0 H VAL A 32 11.627 27.038 -10.159 1.00 0.00 H new ATOM 0 HA VAL A 32 9.157 26.105 -11.490 1.00 0.00 H new ATOM 0 HB VAL A 32 9.395 26.413 -8.450 1.00 0.00 H new ATOM 0 HG11 VAL A 32 7.243 25.195 -8.457 1.00 0.00 H new ATOM 0 HG12 VAL A 32 7.142 26.686 -9.423 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.301 25.110 -10.234 1.00 0.00 H new ATOM 0 HG21 VAL A 32 9.367 23.939 -8.317 1.00 0.00 H new ATOM 0 HG22 VAL A 32 9.426 23.844 -10.093 1.00 0.00 H new ATOM 0 HG23 VAL A 32 10.804 24.519 -9.192 1.00 0.00 H new ATOM 491 N THR A 33 7.861 28.118 -10.477 1.00 0.00 N ATOM 492 CA THR A 33 7.256 29.458 -10.383 1.00 0.00 C ATOM 493 C THR A 33 6.545 29.541 -9.055 1.00 0.00 C ATOM 494 O THR A 33 5.833 28.625 -8.695 1.00 0.00 O ATOM 495 CB THR A 33 6.240 29.629 -11.505 1.00 0.00 C ATOM 496 OG1 THR A 33 6.977 30.126 -12.603 1.00 0.00 O ATOM 497 CG2 THR A 33 5.242 30.749 -11.174 1.00 0.00 C ATOM 0 H THR A 33 7.190 27.353 -10.542 1.00 0.00 H new ATOM 0 HA THR A 33 8.017 30.234 -10.467 1.00 0.00 H new ATOM 0 HB THR A 33 5.716 28.688 -11.675 1.00 0.00 H new ATOM 0 HG1 THR A 33 6.377 30.258 -13.367 1.00 0.00 H new ATOM 0 HG21 THR A 33 4.527 30.852 -11.990 1.00 0.00 H new ATOM 0 HG22 THR A 33 4.711 30.503 -10.255 1.00 0.00 H new ATOM 0 HG23 THR A 33 5.780 31.688 -11.042 1.00 0.00 H new ATOM 505 N ALA A 34 6.738 30.621 -8.343 1.00 0.00 N ATOM 506 CA ALA A 34 6.061 30.741 -7.026 1.00 0.00 C ATOM 507 C ALA A 34 5.337 32.060 -6.880 1.00 0.00 C ATOM 508 O ALA A 34 5.396 32.913 -7.743 1.00 0.00 O ATOM 509 CB ALA A 34 7.132 30.654 -5.933 1.00 0.00 C ATOM 0 H ALA A 34 7.325 31.410 -8.613 1.00 0.00 H new ATOM 0 HA ALA A 34 5.326 29.941 -6.942 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.661 30.740 -4.954 1.00 0.00 H new ATOM 0 HB2 ALA A 34 7.648 29.697 -6.005 1.00 0.00 H new ATOM 0 HB3 ALA A 34 7.850 31.464 -6.062 1.00 0.00 H new ATOM 515 N HIS A 35 4.669 32.196 -5.778 1.00 0.00 N ATOM 516 CA HIS A 35 3.923 33.435 -5.520 1.00 0.00 C ATOM 517 C HIS A 35 3.898 33.707 -4.026 1.00 0.00 C ATOM 518 O HIS A 35 3.830 32.789 -3.228 1.00 0.00 O ATOM 519 CB HIS A 35 2.482 33.245 -6.014 1.00 0.00 C ATOM 520 CG HIS A 35 1.761 34.592 -5.985 1.00 0.00 C ATOM 521 ND1 HIS A 35 1.550 35.266 -4.955 1.00 0.00 N ATOM 522 CD2 HIS A 35 1.218 35.324 -7.022 1.00 0.00 C ATOM 523 CE1 HIS A 35 0.935 36.341 -5.222 1.00 0.00 C ATOM 524 NE2 HIS A 35 0.679 36.471 -6.524 1.00 0.00 N ATOM 0 H HIS A 35 4.611 31.492 -5.042 1.00 0.00 H new ATOM 0 HA HIS A 35 4.397 34.270 -6.035 1.00 0.00 H new ATOM 0 HB2 HIS A 35 2.482 32.840 -7.026 1.00 0.00 H new ATOM 0 HB3 HIS A 35 1.960 32.526 -5.383 1.00 0.00 H new ATOM 0 HD2 HIS A 35 1.220 35.033 -8.062 1.00 0.00 H new ATOM 0 HE1 HIS A 35 0.650 37.070 -4.478 1.00 0.00 H new ATOM 0 HE2 HIS A 35 0.205 37.228 -7.016 1.00 0.00 H new ATOM 532 N ILE A 36 3.962 34.951 -3.664 1.00 0.00 N ATOM 533 CA ILE A 36 3.942 35.279 -2.223 1.00 0.00 C ATOM 534 C ILE A 36 2.513 35.424 -1.719 1.00 0.00 C ATOM 535 O ILE A 36 1.718 36.140 -2.297 1.00 0.00 O ATOM 536 CB ILE A 36 4.669 36.606 -2.026 1.00 0.00 C ATOM 537 CG1 ILE A 36 4.780 36.916 -0.541 1.00 0.00 C ATOM 538 CG2 ILE A 36 3.846 37.719 -2.700 1.00 0.00 C ATOM 539 CD1 ILE A 36 5.381 38.311 -0.362 1.00 0.00 C ATOM 0 H ILE A 36 4.027 35.747 -4.298 1.00 0.00 H new ATOM 0 HA ILE A 36 4.427 34.476 -1.667 1.00 0.00 H new ATOM 0 HB ILE A 36 5.666 36.545 -2.461 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.797 36.868 -0.073 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.405 36.172 -0.048 1.00 0.00 H new ATOM 0 HG21 ILE A 36 4.352 38.676 -2.569 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.746 37.504 -3.764 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.857 37.766 -2.245 1.00 0.00 H new ATOM 0 HD11 ILE A 36 5.463 38.538 0.701 1.00 0.00 H new ATOM 0 HD12 ILE A 36 6.371 38.342 -0.817 1.00 0.00 H new ATOM 0 HD13 ILE A 36 4.738 39.049 -0.842 1.00 0.00 H new ATOM 551 N SER A 37 2.210 34.742 -0.651 1.00 0.00 N ATOM 552 CA SER A 37 0.841 34.827 -0.098 1.00 0.00 C ATOM 553 C SER A 37 0.551 36.235 0.409 1.00 0.00 C ATOM 554 O SER A 37 1.428 37.074 0.455 1.00 0.00 O ATOM 555 CB SER A 37 0.730 33.846 1.078 1.00 0.00 C ATOM 556 OG SER A 37 1.276 32.637 0.572 1.00 0.00 O ATOM 0 H SER A 37 2.851 34.133 -0.142 1.00 0.00 H new ATOM 0 HA SER A 37 0.124 34.581 -0.881 1.00 0.00 H new ATOM 0 HB2 SER A 37 1.284 34.201 1.947 1.00 0.00 H new ATOM 0 HB3 SER A 37 -0.306 33.715 1.392 1.00 0.00 H new ATOM 0 HG SER A 37 1.245 31.948 1.268 1.00 0.00 H new ATOM 562 N GLY A 38 -0.678 36.469 0.782 1.00 0.00 N ATOM 563 CA GLY A 38 -1.041 37.822 1.290 1.00 0.00 C ATOM 564 C GLY A 38 -0.611 37.977 2.749 1.00 0.00 C ATOM 565 O GLY A 38 -0.499 39.078 3.252 1.00 0.00 O ATOM 0 H GLY A 38 -1.439 35.790 0.758 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -0.561 38.587 0.680 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -2.117 37.973 1.203 1.00 0.00 H new ATOM 569 N LYS A 39 -0.380 36.870 3.399 1.00 0.00 N ATOM 570 CA LYS A 39 0.039 36.935 4.815 1.00 0.00 C ATOM 571 C LYS A 39 1.483 37.412 4.936 1.00 0.00 C ATOM 572 O LYS A 39 1.760 38.395 5.593 1.00 0.00 O ATOM 573 CB LYS A 39 -0.070 35.526 5.417 1.00 0.00 C ATOM 574 CG LYS A 39 0.050 35.623 6.938 1.00 0.00 C ATOM 575 CD LYS A 39 0.377 34.241 7.506 1.00 0.00 C ATOM 576 CE LYS A 39 -0.876 33.366 7.446 1.00 0.00 C ATOM 577 NZ LYS A 39 -1.009 32.736 6.102 1.00 0.00 N ATOM 0 H LYS A 39 -0.464 35.931 3.009 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.604 37.639 5.343 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -1.022 35.072 5.143 1.00 0.00 H new ATOM 0 HB3 LYS A 39 0.715 34.884 5.018 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.830 36.334 7.209 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.882 35.994 7.365 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.184 33.781 6.936 1.00 0.00 H new ATOM 0 HD3 LYS A 39 0.725 34.330 8.535 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -0.824 32.593 8.213 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -1.758 33.969 7.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -1.792 33.184 5.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -0.125 32.863 5.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -1.204 31.720 6.212 1.00 0.00 H new ATOM 591 N MET A 40 2.378 36.705 4.297 1.00 0.00 N ATOM 592 CA MET A 40 3.808 37.105 4.366 1.00 0.00 C ATOM 593 C MET A 40 4.023 38.457 3.704 1.00 0.00 C ATOM 594 O MET A 40 5.012 39.121 3.943 1.00 0.00 O ATOM 595 CB MET A 40 4.644 36.055 3.614 1.00 0.00 C ATOM 596 CG MET A 40 4.427 34.683 4.253 1.00 0.00 C ATOM 597 SD MET A 40 4.748 34.531 6.027 1.00 0.00 S ATOM 598 CE MET A 40 4.933 32.731 6.066 1.00 0.00 C ATOM 0 H MET A 40 2.180 35.876 3.736 1.00 0.00 H new ATOM 0 HA MET A 40 4.107 37.172 5.412 1.00 0.00 H new ATOM 0 HB2 MET A 40 4.356 36.029 2.563 1.00 0.00 H new ATOM 0 HB3 MET A 40 5.700 36.322 3.648 1.00 0.00 H new ATOM 0 HG2 MET A 40 3.394 34.386 4.071 1.00 0.00 H new ATOM 0 HG3 MET A 40 5.061 33.965 3.733 1.00 0.00 H new ATOM 0 HE1 MET A 40 5.141 32.409 7.086 1.00 0.00 H new ATOM 0 HE2 MET A 40 4.012 32.263 5.718 1.00 0.00 H new ATOM 0 HE3 MET A 40 5.758 32.436 5.417 1.00 0.00 H new ATOM 608 N ARG A 41 3.092 38.839 2.880 1.00 0.00 N ATOM 609 CA ARG A 41 3.210 40.126 2.196 1.00 0.00 C ATOM 610 C ARG A 41 2.949 41.274 3.165 1.00 0.00 C ATOM 611 O ARG A 41 3.725 42.204 3.260 1.00 0.00 O ATOM 612 CB ARG A 41 2.153 40.137 1.079 1.00 0.00 C ATOM 613 CG ARG A 41 1.880 41.565 0.634 1.00 0.00 C ATOM 614 CD ARG A 41 3.179 42.189 0.124 1.00 0.00 C ATOM 615 NE ARG A 41 2.850 43.215 -0.906 1.00 0.00 N ATOM 616 CZ ARG A 41 2.200 44.289 -0.552 1.00 0.00 C ATOM 617 NH1 ARG A 41 2.614 44.963 0.484 1.00 0.00 N ATOM 618 NH2 ARG A 41 1.158 44.652 -1.248 1.00 0.00 N ATOM 0 H ARG A 41 2.253 38.303 2.658 1.00 0.00 H new ATOM 0 HA ARG A 41 4.215 40.254 1.793 1.00 0.00 H new ATOM 0 HB2 ARG A 41 2.500 39.544 0.233 1.00 0.00 H new ATOM 0 HB3 ARG A 41 1.232 39.676 1.435 1.00 0.00 H new ATOM 0 HG2 ARG A 41 1.124 41.576 -0.151 1.00 0.00 H new ATOM 0 HG3 ARG A 41 1.484 42.148 1.465 1.00 0.00 H new ATOM 0 HD2 ARG A 41 3.727 42.645 0.948 1.00 0.00 H new ATOM 0 HD3 ARG A 41 3.824 41.421 -0.302 1.00 0.00 H new ATOM 0 HE ARG A 41 3.130 43.079 -1.877 1.00 0.00 H new ATOM 0 HH11 ARG A 41 3.434 44.648 1.003 1.00 0.00 H new ATOM 0 HH12 ARG A 41 2.118 45.805 0.776 1.00 0.00 H new ATOM 0 HH21 ARG A 41 0.865 44.099 -2.053 1.00 0.00 H new ATOM 0 HH22 ARG A 41 0.637 45.489 -0.987 1.00 0.00 H new ATOM 632 N LYS A 42 1.857 41.181 3.867 1.00 0.00 N ATOM 633 CA LYS A 42 1.511 42.229 4.827 1.00 0.00 C ATOM 634 C LYS A 42 2.256 42.052 6.149 1.00 0.00 C ATOM 635 O LYS A 42 2.505 43.010 6.853 1.00 0.00 O ATOM 636 CB LYS A 42 0.010 42.127 5.093 1.00 0.00 C ATOM 637 CG LYS A 42 -0.446 43.388 5.789 1.00 0.00 C ATOM 638 CD LYS A 42 -1.860 43.180 6.336 1.00 0.00 C ATOM 639 CE LYS A 42 -2.295 44.437 7.092 1.00 0.00 C ATOM 640 NZ LYS A 42 -1.356 44.722 8.215 1.00 0.00 N ATOM 0 H LYS A 42 1.191 40.411 3.807 1.00 0.00 H new ATOM 0 HA LYS A 42 1.789 43.198 4.414 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -0.532 41.996 4.156 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -0.206 41.255 5.711 1.00 0.00 H new ATOM 0 HG2 LYS A 42 0.238 43.637 6.601 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -0.433 44.227 5.093 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -2.552 42.974 5.520 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -1.883 42.315 6.999 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -2.324 45.287 6.410 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -3.305 44.304 7.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -1.827 45.329 8.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -1.072 43.829 8.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -0.513 45.208 7.848 1.00 0.00 H new ATOM 654 N ASN A 43 2.597 40.832 6.466 1.00 0.00 N ATOM 655 CA ASN A 43 3.322 40.589 7.740 1.00 0.00 C ATOM 656 C ASN A 43 4.826 40.749 7.562 1.00 0.00 C ATOM 657 O ASN A 43 5.593 40.430 8.448 1.00 0.00 O ATOM 658 CB ASN A 43 3.031 39.154 8.204 1.00 0.00 C ATOM 659 CG ASN A 43 1.550 39.032 8.573 1.00 0.00 C ATOM 660 OD1 ASN A 43 0.721 39.965 8.186 1.00 0.00 O flip ATOM 661 ND2 ASN A 43 1.136 38.091 9.219 1.00 0.00 N flip ATOM 0 H ASN A 43 2.406 40.003 5.903 1.00 0.00 H new ATOM 0 HA ASN A 43 2.982 41.318 8.476 1.00 0.00 H new ATOM 0 HB2 ASN A 43 3.280 38.446 7.413 1.00 0.00 H new ATOM 0 HB3 ASN A 43 3.653 38.904 9.063 1.00 0.00 H new ATOM 0 HD21 ASN A 43 1.778 37.360 9.524 1.00 0.00 H new ATOM 0 HD22 ASN A 43 0.146 38.032 9.457 1.00 0.00 H new ATOM 668 N TYR A 44 5.227 41.239 6.422 1.00 0.00 N ATOM 669 CA TYR A 44 6.677 41.417 6.188 1.00 0.00 C ATOM 670 C TYR A 44 6.939 42.203 4.913 1.00 0.00 C ATOM 671 O TYR A 44 6.275 42.013 3.913 1.00 0.00 O ATOM 672 CB TYR A 44 7.322 40.032 6.055 1.00 0.00 C ATOM 673 CG TYR A 44 8.835 40.160 6.249 1.00 0.00 C ATOM 674 CD1 TYR A 44 9.358 40.485 7.484 1.00 0.00 C ATOM 675 CD2 TYR A 44 9.697 39.946 5.194 1.00 0.00 C ATOM 676 CE1 TYR A 44 10.722 40.593 7.661 1.00 0.00 C ATOM 677 CE2 TYR A 44 11.061 40.055 5.370 1.00 0.00 C ATOM 678 CZ TYR A 44 11.584 40.379 6.605 1.00 0.00 C ATOM 679 OH TYR A 44 12.949 40.483 6.782 1.00 0.00 O ATOM 0 H TYR A 44 4.618 41.519 5.654 1.00 0.00 H new ATOM 0 HA TYR A 44 7.100 41.971 7.026 1.00 0.00 H new ATOM 0 HB2 TYR A 44 6.905 39.351 6.796 1.00 0.00 H new ATOM 0 HB3 TYR A 44 7.104 39.609 5.075 1.00 0.00 H new ATOM 0 HD1 TYR A 44 8.694 40.656 8.319 1.00 0.00 H new ATOM 0 HD2 TYR A 44 9.301 39.691 4.222 1.00 0.00 H new ATOM 0 HE1 TYR A 44 11.118 40.847 8.633 1.00 0.00 H new ATOM 0 HE2 TYR A 44 11.724 39.885 4.535 1.00 0.00 H new ATOM 0 HH TYR A 44 13.404 40.299 5.934 1.00 0.00 H new ATOM 689 N ILE A 45 7.907 43.076 4.974 1.00 0.00 N ATOM 690 CA ILE A 45 8.239 43.886 3.790 1.00 0.00 C ATOM 691 C ILE A 45 8.396 43.003 2.553 1.00 0.00 C ATOM 692 O ILE A 45 8.451 41.794 2.651 1.00 0.00 O ATOM 693 CB ILE A 45 9.561 44.625 4.086 1.00 0.00 C ATOM 694 CG1 ILE A 45 9.428 46.075 3.677 1.00 0.00 C ATOM 695 CG2 ILE A 45 10.712 43.987 3.274 1.00 0.00 C ATOM 696 CD1 ILE A 45 10.801 46.746 3.742 1.00 0.00 C ATOM 0 H ILE A 45 8.478 43.257 5.799 1.00 0.00 H new ATOM 0 HA ILE A 45 7.437 44.595 3.586 1.00 0.00 H new ATOM 0 HB ILE A 45 9.777 44.552 5.152 1.00 0.00 H new ATOM 0 HG12 ILE A 45 9.024 46.144 2.667 1.00 0.00 H new ATOM 0 HG13 ILE A 45 8.728 46.588 4.336 1.00 0.00 H new ATOM 0 HG21 ILE A 45 11.643 44.513 3.487 1.00 0.00 H new ATOM 0 HG22 ILE A 45 10.816 42.938 3.552 1.00 0.00 H new ATOM 0 HG23 ILE A 45 10.490 44.059 2.209 1.00 0.00 H new ATOM 0 HD11 ILE A 45 10.709 47.792 3.448 1.00 0.00 H new ATOM 0 HD12 ILE A 45 11.187 46.688 4.760 1.00 0.00 H new ATOM 0 HD13 ILE A 45 11.487 46.237 3.065 1.00 0.00 H new ATOM 708 N ARG A 46 8.467 43.629 1.414 1.00 0.00 N ATOM 709 CA ARG A 46 8.621 42.849 0.165 1.00 0.00 C ATOM 710 C ARG A 46 9.827 41.920 0.246 1.00 0.00 C ATOM 711 O ARG A 46 10.661 42.056 1.120 1.00 0.00 O ATOM 712 CB ARG A 46 8.824 43.839 -0.992 1.00 0.00 C ATOM 713 CG ARG A 46 7.600 44.755 -1.081 1.00 0.00 C ATOM 714 CD ARG A 46 7.697 45.603 -2.349 1.00 0.00 C ATOM 715 NE ARG A 46 7.501 44.724 -3.535 1.00 0.00 N ATOM 716 CZ ARG A 46 8.529 44.407 -4.273 1.00 0.00 C ATOM 717 NH1 ARG A 46 9.193 45.358 -4.870 1.00 0.00 N ATOM 718 NH2 ARG A 46 8.859 43.149 -4.389 1.00 0.00 N ATOM 0 H ARG A 46 8.425 44.641 1.297 1.00 0.00 H new ATOM 0 HA ARG A 46 7.731 42.239 0.009 1.00 0.00 H new ATOM 0 HB2 ARG A 46 9.726 44.429 -0.829 1.00 0.00 H new ATOM 0 HB3 ARG A 46 8.961 43.300 -1.930 1.00 0.00 H new ATOM 0 HG2 ARG A 46 6.687 44.161 -1.096 1.00 0.00 H new ATOM 0 HG3 ARG A 46 7.548 45.398 -0.202 1.00 0.00 H new ATOM 0 HD2 ARG A 46 6.943 46.390 -2.335 1.00 0.00 H new ATOM 0 HD3 ARG A 46 8.669 46.094 -2.400 1.00 0.00 H new ATOM 0 HE ARG A 46 6.572 44.373 -3.768 1.00 0.00 H new ATOM 0 HH11 ARG A 46 8.906 46.330 -4.756 1.00 0.00 H new ATOM 0 HH12 ARG A 46 10.000 45.130 -5.451 1.00 0.00 H new ATOM 0 HH21 ARG A 46 8.316 42.433 -3.907 1.00 0.00 H new ATOM 0 HH22 ARG A 46 9.660 42.883 -4.962 1.00 0.00 H new ATOM 732 N ILE A 47 9.897 40.990 -0.669 1.00 0.00 N ATOM 733 CA ILE A 47 11.039 40.040 -0.666 1.00 0.00 C ATOM 734 C ILE A 47 12.156 40.522 -1.591 1.00 0.00 C ATOM 735 O ILE A 47 11.898 41.076 -2.641 1.00 0.00 O ATOM 736 CB ILE A 47 10.531 38.686 -1.162 1.00 0.00 C ATOM 737 CG1 ILE A 47 9.341 38.240 -0.318 1.00 0.00 C ATOM 738 CG2 ILE A 47 11.657 37.651 -1.002 1.00 0.00 C ATOM 739 CD1 ILE A 47 8.911 36.835 -0.753 1.00 0.00 C ATOM 0 H ILE A 47 9.214 40.850 -1.414 1.00 0.00 H new ATOM 0 HA ILE A 47 11.440 39.965 0.345 1.00 0.00 H new ATOM 0 HB ILE A 47 10.229 38.771 -2.206 1.00 0.00 H new ATOM 0 HG12 ILE A 47 9.609 38.240 0.738 1.00 0.00 H new ATOM 0 HG13 ILE A 47 8.513 38.939 -0.437 1.00 0.00 H new ATOM 0 HG21 ILE A 47 11.310 36.679 -1.352 1.00 0.00 H new ATOM 0 HG22 ILE A 47 12.522 37.960 -1.589 1.00 0.00 H new ATOM 0 HG23 ILE A 47 11.939 37.579 0.049 1.00 0.00 H new ATOM 0 HD11 ILE A 47 8.061 36.512 -0.152 1.00 0.00 H new ATOM 0 HD12 ILE A 47 8.627 36.851 -1.805 1.00 0.00 H new ATOM 0 HD13 ILE A 47 9.739 36.141 -0.611 1.00 0.00 H new ATOM 751 N LEU A 48 13.379 40.304 -1.183 1.00 0.00 N ATOM 752 CA LEU A 48 14.521 40.743 -2.029 1.00 0.00 C ATOM 753 C LEU A 48 14.871 39.680 -3.067 1.00 0.00 C ATOM 754 O LEU A 48 14.335 38.589 -3.042 1.00 0.00 O ATOM 755 CB LEU A 48 15.736 40.975 -1.115 1.00 0.00 C ATOM 756 CG LEU A 48 15.643 42.379 -0.511 1.00 0.00 C ATOM 757 CD1 LEU A 48 14.296 42.533 0.196 1.00 0.00 C ATOM 758 CD2 LEU A 48 16.769 42.569 0.507 1.00 0.00 C ATOM 0 H LEU A 48 13.632 39.845 -0.308 1.00 0.00 H new ATOM 0 HA LEU A 48 14.247 41.658 -2.555 1.00 0.00 H new ATOM 0 HB2 LEU A 48 15.761 40.226 -0.324 1.00 0.00 H new ATOM 0 HB3 LEU A 48 16.660 40.870 -1.683 1.00 0.00 H new ATOM 0 HG LEU A 48 15.734 43.124 -1.301 1.00 0.00 H new ATOM 0 HD11 LEU A 48 14.224 43.531 0.628 1.00 0.00 H new ATOM 0 HD12 LEU A 48 13.489 42.390 -0.523 1.00 0.00 H new ATOM 0 HD13 LEU A 48 14.213 41.788 0.987 1.00 0.00 H new ATOM 0 HD21 LEU A 48 16.705 43.568 0.938 1.00 0.00 H new ATOM 0 HD22 LEU A 48 16.674 41.825 1.298 1.00 0.00 H new ATOM 0 HD23 LEU A 48 17.732 42.449 0.011 1.00 0.00 H new ATOM 770 N THR A 49 15.762 40.013 -3.966 1.00 0.00 N ATOM 771 CA THR A 49 16.147 39.023 -5.006 1.00 0.00 C ATOM 772 C THR A 49 17.066 37.975 -4.437 1.00 0.00 C ATOM 773 O THR A 49 18.074 38.256 -3.820 1.00 0.00 O ATOM 774 CB THR A 49 16.848 39.751 -6.147 1.00 0.00 C ATOM 775 OG1 THR A 49 15.913 40.702 -6.613 1.00 0.00 O ATOM 776 CG2 THR A 49 17.074 38.813 -7.341 1.00 0.00 C ATOM 0 H THR A 49 16.232 40.916 -4.022 1.00 0.00 H new ATOM 0 HA THR A 49 15.248 38.527 -5.371 1.00 0.00 H new ATOM 0 HB THR A 49 17.798 40.156 -5.797 1.00 0.00 H new ATOM 0 HG1 THR A 49 16.305 41.211 -7.353 1.00 0.00 H new ATOM 0 HG21 THR A 49 17.576 39.357 -8.141 1.00 0.00 H new ATOM 0 HG22 THR A 49 17.693 37.972 -7.031 1.00 0.00 H new ATOM 0 HG23 THR A 49 16.114 38.443 -7.700 1.00 0.00 H new ATOM 784 N GLY A 50 16.671 36.796 -4.674 1.00 0.00 N ATOM 785 CA GLY A 50 17.403 35.613 -4.215 1.00 0.00 C ATOM 786 C GLY A 50 17.151 35.468 -2.749 1.00 0.00 C ATOM 787 O GLY A 50 17.976 35.793 -1.917 1.00 0.00 O ATOM 0 H GLY A 50 15.822 36.581 -5.197 1.00 0.00 H new ATOM 0 HA2 GLY A 50 17.070 34.724 -4.751 1.00 0.00 H new ATOM 0 HA3 GLY A 50 18.470 35.722 -4.411 1.00 0.00 H new ATOM 791 N ASP A 51 15.998 34.973 -2.480 1.00 0.00 N ATOM 792 CA ASP A 51 15.577 34.749 -1.110 1.00 0.00 C ATOM 793 C ASP A 51 15.572 33.291 -0.879 1.00 0.00 C ATOM 794 O ASP A 51 14.876 32.592 -1.602 1.00 0.00 O ATOM 795 CB ASP A 51 14.157 35.299 -0.920 1.00 0.00 C ATOM 796 CG ASP A 51 14.234 36.654 -0.217 1.00 0.00 C ATOM 797 OD1 ASP A 51 14.697 37.575 -0.867 1.00 0.00 O ATOM 798 OD2 ASP A 51 13.828 36.690 0.933 1.00 0.00 O ATOM 0 H ASP A 51 15.310 34.707 -3.185 1.00 0.00 H new ATOM 0 HA ASP A 51 16.248 35.248 -0.412 1.00 0.00 H new ATOM 0 HB2 ASP A 51 13.662 35.404 -1.886 1.00 0.00 H new ATOM 0 HB3 ASP A 51 13.560 34.603 -0.330 1.00 0.00 H new ATOM 803 N LYS A 52 16.291 32.789 0.065 1.00 0.00 N ATOM 804 CA LYS A 52 16.202 31.348 0.201 1.00 0.00 C ATOM 805 C LYS A 52 14.848 31.099 0.812 1.00 0.00 C ATOM 806 O LYS A 52 14.616 31.457 1.950 1.00 0.00 O ATOM 807 CB LYS A 52 17.315 30.835 1.137 1.00 0.00 C ATOM 808 CG LYS A 52 18.542 30.448 0.305 1.00 0.00 C ATOM 809 CD LYS A 52 19.397 29.458 1.102 1.00 0.00 C ATOM 810 CE LYS A 52 19.965 30.161 2.336 1.00 0.00 C ATOM 811 NZ LYS A 52 21.126 29.402 2.880 1.00 0.00 N ATOM 0 H LYS A 52 16.902 33.288 0.711 1.00 0.00 H new ATOM 0 HA LYS A 52 16.322 30.834 -0.752 1.00 0.00 H new ATOM 0 HB2 LYS A 52 17.581 31.606 1.860 1.00 0.00 H new ATOM 0 HB3 LYS A 52 16.960 29.974 1.704 1.00 0.00 H new ATOM 0 HG2 LYS A 52 18.230 30.001 -0.639 1.00 0.00 H new ATOM 0 HG3 LYS A 52 19.125 31.336 0.060 1.00 0.00 H new ATOM 0 HD2 LYS A 52 18.796 28.600 1.402 1.00 0.00 H new ATOM 0 HD3 LYS A 52 20.208 29.077 0.481 1.00 0.00 H new ATOM 0 HE2 LYS A 52 20.274 31.173 2.075 1.00 0.00 H new ATOM 0 HE3 LYS A 52 19.192 30.251 3.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 21.500 29.893 3.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 20.820 28.445 3.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 21.869 29.338 2.155 1.00 0.00 H new ATOM 825 N VAL A 53 13.971 30.492 0.053 1.00 0.00 N ATOM 826 CA VAL A 53 12.600 30.226 0.594 1.00 0.00 C ATOM 827 C VAL A 53 12.194 28.783 0.540 1.00 0.00 C ATOM 828 O VAL A 53 12.825 27.970 -0.106 1.00 0.00 O ATOM 829 CB VAL A 53 11.619 31.009 -0.280 1.00 0.00 C ATOM 830 CG1 VAL A 53 12.020 32.488 -0.288 1.00 0.00 C ATOM 831 CG2 VAL A 53 11.681 30.452 -1.711 1.00 0.00 C ATOM 0 H VAL A 53 14.138 30.173 -0.901 1.00 0.00 H new ATOM 0 HA VAL A 53 12.596 30.521 1.643 1.00 0.00 H new ATOM 0 HB VAL A 53 10.606 30.912 0.112 1.00 0.00 H new ATOM 0 HG11 VAL A 53 11.324 33.050 -0.910 1.00 0.00 H new ATOM 0 HG12 VAL A 53 11.994 32.878 0.730 1.00 0.00 H new ATOM 0 HG13 VAL A 53 13.028 32.589 -0.690 1.00 0.00 H new ATOM 0 HG21 VAL A 53 10.986 31.002 -2.346 1.00 0.00 H new ATOM 0 HG22 VAL A 53 12.693 30.562 -2.101 1.00 0.00 H new ATOM 0 HG23 VAL A 53 11.408 29.397 -1.703 1.00 0.00 H new ATOM 841 N ARG A 54 11.119 28.490 1.243 1.00 0.00 N ATOM 842 CA ARG A 54 10.621 27.104 1.262 1.00 0.00 C ATOM 843 C ARG A 54 9.478 27.023 0.277 1.00 0.00 C ATOM 844 O ARG A 54 8.443 27.627 0.486 1.00 0.00 O ATOM 845 CB ARG A 54 10.116 26.781 2.677 1.00 0.00 C ATOM 846 CG ARG A 54 9.999 25.264 2.843 1.00 0.00 C ATOM 847 CD ARG A 54 9.637 24.950 4.297 1.00 0.00 C ATOM 848 NE ARG A 54 9.253 23.516 4.408 1.00 0.00 N ATOM 849 CZ ARG A 54 10.035 22.692 5.050 1.00 0.00 C ATOM 850 NH1 ARG A 54 10.972 22.069 4.389 1.00 0.00 N ATOM 851 NH2 ARG A 54 9.853 22.517 6.332 1.00 0.00 N ATOM 0 H ARG A 54 10.580 29.157 1.795 1.00 0.00 H new ATOM 0 HA ARG A 54 11.404 26.394 0.994 1.00 0.00 H new ATOM 0 HB2 ARG A 54 10.801 27.187 3.421 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.147 27.252 2.845 1.00 0.00 H new ATOM 0 HG2 ARG A 54 9.237 24.869 2.171 1.00 0.00 H new ATOM 0 HG3 ARG A 54 10.940 24.782 2.576 1.00 0.00 H new ATOM 0 HD2 ARG A 54 10.484 25.163 4.949 1.00 0.00 H new ATOM 0 HD3 ARG A 54 8.814 25.585 4.625 1.00 0.00 H new ATOM 0 HE ARG A 54 8.387 23.181 3.986 1.00 0.00 H new ATOM 0 HH11 ARG A 54 11.083 22.230 3.388 1.00 0.00 H new ATOM 0 HH12 ARG A 54 11.593 21.421 4.873 1.00 0.00 H new ATOM 0 HH21 ARG A 54 9.109 23.021 6.815 1.00 0.00 H new ATOM 0 HH22 ARG A 54 10.455 21.877 6.850 1.00 0.00 H new ATOM 865 N VAL A 55 9.671 26.280 -0.778 1.00 0.00 N ATOM 866 CA VAL A 55 8.597 26.163 -1.784 1.00 0.00 C ATOM 867 C VAL A 55 7.813 24.881 -1.656 1.00 0.00 C ATOM 868 O VAL A 55 8.326 23.865 -1.228 1.00 0.00 O ATOM 869 CB VAL A 55 9.239 26.186 -3.179 1.00 0.00 C ATOM 870 CG1 VAL A 55 8.158 26.477 -4.223 1.00 0.00 C ATOM 871 CG2 VAL A 55 10.305 27.284 -3.239 1.00 0.00 C ATOM 0 H VAL A 55 10.522 25.755 -0.980 1.00 0.00 H new ATOM 0 HA VAL A 55 7.909 26.994 -1.628 1.00 0.00 H new ATOM 0 HB VAL A 55 9.702 25.220 -3.382 1.00 0.00 H new ATOM 0 HG11 VAL A 55 8.607 26.495 -5.216 1.00 0.00 H new ATOM 0 HG12 VAL A 55 7.395 25.699 -4.183 1.00 0.00 H new ATOM 0 HG13 VAL A 55 7.701 27.444 -4.014 1.00 0.00 H new ATOM 0 HG21 VAL A 55 10.758 27.297 -4.230 1.00 0.00 H new ATOM 0 HG22 VAL A 55 9.843 28.251 -3.038 1.00 0.00 H new ATOM 0 HG23 VAL A 55 11.073 27.087 -2.491 1.00 0.00 H new ATOM 881 N GLU A 56 6.568 24.970 -2.041 1.00 0.00 N ATOM 882 CA GLU A 56 5.680 23.805 -1.980 1.00 0.00 C ATOM 883 C GLU A 56 5.142 23.549 -3.363 1.00 0.00 C ATOM 884 O GLU A 56 4.492 24.400 -3.941 1.00 0.00 O ATOM 885 CB GLU A 56 4.510 24.128 -1.038 1.00 0.00 C ATOM 886 CG GLU A 56 5.055 24.384 0.368 1.00 0.00 C ATOM 887 CD GLU A 56 5.605 23.077 0.941 1.00 0.00 C ATOM 888 OE1 GLU A 56 4.887 22.097 0.840 1.00 0.00 O ATOM 889 OE2 GLU A 56 6.715 23.132 1.447 1.00 0.00 O ATOM 0 H GLU A 56 6.135 25.821 -2.399 1.00 0.00 H new ATOM 0 HA GLU A 56 6.218 22.930 -1.616 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.969 25.004 -1.397 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.801 23.300 -1.021 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.840 25.139 0.334 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.266 24.773 1.011 1.00 0.00 H new ATOM 896 N LEU A 57 5.409 22.391 -3.876 1.00 0.00 N ATOM 897 CA LEU A 57 4.915 22.080 -5.229 1.00 0.00 C ATOM 898 C LEU A 57 3.597 21.351 -5.151 1.00 0.00 C ATOM 899 O LEU A 57 3.366 20.578 -4.237 1.00 0.00 O ATOM 900 CB LEU A 57 5.944 21.182 -5.920 1.00 0.00 C ATOM 901 CG LEU A 57 7.344 21.719 -5.626 1.00 0.00 C ATOM 902 CD1 LEU A 57 8.005 20.843 -4.560 1.00 0.00 C ATOM 903 CD2 LEU A 57 8.178 21.672 -6.906 1.00 0.00 C ATOM 0 H LEU A 57 5.944 21.652 -3.420 1.00 0.00 H new ATOM 0 HA LEU A 57 4.771 23.005 -5.787 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.850 20.157 -5.562 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.766 21.162 -6.995 1.00 0.00 H new ATOM 0 HG LEU A 57 7.278 22.746 -5.268 1.00 0.00 H new ATOM 0 HD11 LEU A 57 9.005 21.222 -4.346 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.407 20.864 -3.649 1.00 0.00 H new ATOM 0 HD13 LEU A 57 8.076 19.818 -4.924 1.00 0.00 H new ATOM 0 HD21 LEU A 57 9.178 22.054 -6.703 1.00 0.00 H new ATOM 0 HD22 LEU A 57 8.247 20.643 -7.258 1.00 0.00 H new ATOM 0 HD23 LEU A 57 7.704 22.286 -7.672 1.00 0.00 H new ATOM 915 N THR A 58 2.753 21.605 -6.117 1.00 0.00 N ATOM 916 CA THR A 58 1.428 20.939 -6.124 1.00 0.00 C ATOM 917 C THR A 58 1.368 19.819 -7.180 1.00 0.00 C ATOM 918 O THR A 58 1.946 19.936 -8.241 1.00 0.00 O ATOM 919 CB THR A 58 0.392 22.007 -6.466 1.00 0.00 C ATOM 920 OG1 THR A 58 0.562 22.265 -7.846 1.00 0.00 O ATOM 921 CG2 THR A 58 0.749 23.337 -5.773 1.00 0.00 C ATOM 0 H THR A 58 2.927 22.242 -6.895 1.00 0.00 H new ATOM 0 HA THR A 58 1.239 20.486 -5.151 1.00 0.00 H new ATOM 0 HB THR A 58 -0.604 21.673 -6.174 1.00 0.00 H new ATOM 0 HG1 THR A 58 -0.080 22.947 -8.133 1.00 0.00 H new ATOM 0 HG21 THR A 58 0.003 24.090 -6.025 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.767 23.191 -4.693 1.00 0.00 H new ATOM 0 HG23 THR A 58 1.730 23.671 -6.110 1.00 0.00 H new ATOM 929 N PRO A 59 0.657 18.738 -6.858 1.00 0.00 N ATOM 930 CA PRO A 59 0.526 17.610 -7.778 1.00 0.00 C ATOM 931 C PRO A 59 -0.152 18.030 -9.077 1.00 0.00 C ATOM 932 O PRO A 59 -0.016 17.374 -10.090 1.00 0.00 O ATOM 933 CB PRO A 59 -0.371 16.592 -7.039 1.00 0.00 C ATOM 934 CG PRO A 59 -0.800 17.247 -5.690 1.00 0.00 C ATOM 935 CD PRO A 59 -0.046 18.581 -5.572 1.00 0.00 C ATOM 0 HA PRO A 59 1.502 17.205 -8.045 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -1.245 16.342 -7.640 1.00 0.00 H new ATOM 0 HB3 PRO A 59 0.169 15.662 -6.860 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -1.877 17.411 -5.667 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -0.559 16.594 -4.851 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -0.733 19.408 -5.395 1.00 0.00 H new ATOM 0 HD3 PRO A 59 0.656 18.565 -4.738 1.00 0.00 H new ATOM 943 N TYR A 60 -0.872 19.117 -9.025 1.00 0.00 N ATOM 944 CA TYR A 60 -1.560 19.586 -10.250 1.00 0.00 C ATOM 945 C TYR A 60 -0.551 20.054 -11.286 1.00 0.00 C ATOM 946 O TYR A 60 -0.832 20.073 -12.467 1.00 0.00 O ATOM 947 CB TYR A 60 -2.471 20.764 -9.874 1.00 0.00 C ATOM 948 CG TYR A 60 -3.716 20.747 -10.765 1.00 0.00 C ATOM 949 CD1 TYR A 60 -4.712 19.814 -10.560 1.00 0.00 C ATOM 950 CD2 TYR A 60 -3.860 21.666 -11.783 1.00 0.00 C ATOM 951 CE1 TYR A 60 -5.835 19.800 -11.362 1.00 0.00 C ATOM 952 CE2 TYR A 60 -4.984 21.653 -12.585 1.00 0.00 C ATOM 953 CZ TYR A 60 -5.979 20.719 -12.380 1.00 0.00 C ATOM 954 OH TYR A 60 -7.102 20.705 -13.184 1.00 0.00 O ATOM 0 H TYR A 60 -1.010 19.692 -8.194 1.00 0.00 H new ATOM 0 HA TYR A 60 -2.139 18.765 -10.673 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -2.760 20.695 -8.825 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -1.936 21.706 -9.996 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -4.612 19.089 -9.766 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -3.088 22.401 -11.954 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -6.607 19.064 -11.191 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -5.085 22.379 -13.378 1.00 0.00 H new ATOM 0 HH TYR A 60 -7.038 21.423 -13.848 1.00 0.00 H new ATOM 964 N ASP A 61 0.611 20.421 -10.825 1.00 0.00 N ATOM 965 CA ASP A 61 1.654 20.890 -11.770 1.00 0.00 C ATOM 966 C ASP A 61 2.852 21.455 -11.016 1.00 0.00 C ATOM 967 O ASP A 61 2.968 22.652 -10.844 1.00 0.00 O ATOM 968 CB ASP A 61 1.052 21.999 -12.648 1.00 0.00 C ATOM 969 CG ASP A 61 -0.059 22.714 -11.874 1.00 0.00 C ATOM 970 OD1 ASP A 61 0.028 22.691 -10.657 1.00 0.00 O ATOM 971 OD2 ASP A 61 -0.931 23.242 -12.544 1.00 0.00 O ATOM 0 H ASP A 61 0.880 20.416 -9.841 1.00 0.00 H new ATOM 0 HA ASP A 61 1.988 20.049 -12.377 1.00 0.00 H new ATOM 0 HB2 ASP A 61 1.826 22.711 -12.936 1.00 0.00 H new ATOM 0 HB3 ASP A 61 0.653 21.573 -13.568 1.00 0.00 H new ATOM 976 N LEU A 62 3.720 20.581 -10.573 1.00 0.00 N ATOM 977 CA LEU A 62 4.914 21.049 -9.831 1.00 0.00 C ATOM 978 C LEU A 62 5.520 22.283 -10.483 1.00 0.00 C ATOM 979 O LEU A 62 6.188 23.063 -9.834 1.00 0.00 O ATOM 980 CB LEU A 62 5.945 19.917 -9.820 1.00 0.00 C ATOM 981 CG LEU A 62 5.393 18.766 -8.977 1.00 0.00 C ATOM 982 CD1 LEU A 62 4.898 17.656 -9.900 1.00 0.00 C ATOM 983 CD2 LEU A 62 6.501 18.222 -8.076 1.00 0.00 C ATOM 0 H LEU A 62 3.649 19.571 -10.695 1.00 0.00 H new ATOM 0 HA LEU A 62 4.621 21.318 -8.816 1.00 0.00 H new ATOM 0 HB2 LEU A 62 6.147 19.579 -10.836 1.00 0.00 H new ATOM 0 HB3 LEU A 62 6.890 20.269 -9.407 1.00 0.00 H new ATOM 0 HG LEU A 62 4.567 19.125 -8.363 1.00 0.00 H new ATOM 0 HD11 LEU A 62 4.504 16.834 -9.302 1.00 0.00 H new ATOM 0 HD12 LEU A 62 4.111 18.044 -10.546 1.00 0.00 H new ATOM 0 HD13 LEU A 62 5.725 17.296 -10.512 1.00 0.00 H new ATOM 0 HD21 LEU A 62 6.110 17.402 -7.474 1.00 0.00 H new ATOM 0 HD22 LEU A 62 7.325 17.861 -8.691 1.00 0.00 H new ATOM 0 HD23 LEU A 62 6.859 19.015 -7.420 1.00 0.00 H new ATOM 995 N SER A 63 5.282 22.446 -11.757 1.00 0.00 N ATOM 996 CA SER A 63 5.845 23.632 -12.443 1.00 0.00 C ATOM 997 C SER A 63 5.375 24.883 -11.731 1.00 0.00 C ATOM 998 O SER A 63 5.745 25.988 -12.081 1.00 0.00 O ATOM 999 CB SER A 63 5.325 23.653 -13.891 1.00 0.00 C ATOM 1000 OG SER A 63 3.922 23.821 -13.754 1.00 0.00 O ATOM 0 H SER A 63 4.730 21.817 -12.340 1.00 0.00 H new ATOM 0 HA SER A 63 6.934 23.591 -12.435 1.00 0.00 H new ATOM 0 HB2 SER A 63 5.770 24.468 -14.462 1.00 0.00 H new ATOM 0 HB3 SER A 63 5.566 22.728 -14.414 1.00 0.00 H new ATOM 0 HG SER A 63 3.646 24.648 -14.203 1.00 0.00 H new ATOM 1006 N LYS A 64 4.545 24.676 -10.738 1.00 0.00 N ATOM 1007 CA LYS A 64 4.012 25.815 -9.959 1.00 0.00 C ATOM 1008 C LYS A 64 3.992 25.462 -8.474 1.00 0.00 C ATOM 1009 O LYS A 64 3.755 24.317 -8.094 1.00 0.00 O ATOM 1010 CB LYS A 64 2.570 26.106 -10.424 1.00 0.00 C ATOM 1011 CG LYS A 64 2.535 26.217 -11.952 1.00 0.00 C ATOM 1012 CD LYS A 64 1.089 26.089 -12.436 1.00 0.00 C ATOM 1013 CE LYS A 64 0.955 26.783 -13.790 1.00 0.00 C ATOM 1014 NZ LYS A 64 1.133 28.254 -13.638 1.00 0.00 N ATOM 0 H LYS A 64 4.217 23.758 -10.439 1.00 0.00 H new ATOM 0 HA LYS A 64 4.644 26.689 -10.115 1.00 0.00 H new ATOM 0 HB2 LYS A 64 1.903 25.311 -10.092 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.212 27.032 -9.974 1.00 0.00 H new ATOM 0 HG2 LYS A 64 2.953 27.173 -12.268 1.00 0.00 H new ATOM 0 HG3 LYS A 64 3.151 25.436 -12.399 1.00 0.00 H new ATOM 0 HD2 LYS A 64 0.812 25.038 -12.522 1.00 0.00 H new ATOM 0 HD3 LYS A 64 0.409 26.539 -11.713 1.00 0.00 H new ATOM 0 HE2 LYS A 64 1.699 26.390 -14.483 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -0.024 26.571 -14.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 0.575 28.748 -14.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 0.810 28.547 -12.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 2.138 28.495 -13.750 1.00 0.00 H new ATOM 1028 N GLY A 65 4.233 26.444 -7.665 1.00 0.00 N ATOM 1029 CA GLY A 65 4.239 26.211 -6.205 1.00 0.00 C ATOM 1030 C GLY A 65 4.081 27.538 -5.491 1.00 0.00 C ATOM 1031 O GLY A 65 3.778 28.527 -6.110 1.00 0.00 O ATOM 0 H GLY A 65 4.427 27.403 -7.953 1.00 0.00 H new ATOM 0 HA2 GLY A 65 3.429 25.536 -5.928 1.00 0.00 H new ATOM 0 HA3 GLY A 65 5.170 25.731 -5.905 1.00 0.00 H new ATOM 1035 N ARG A 66 4.221 27.521 -4.200 1.00 0.00 N ATOM 1036 CA ARG A 66 4.082 28.799 -3.435 1.00 0.00 C ATOM 1037 C ARG A 66 5.212 28.932 -2.416 1.00 0.00 C ATOM 1038 O ARG A 66 5.819 27.950 -2.045 1.00 0.00 O ATOM 1039 CB ARG A 66 2.732 28.791 -2.696 1.00 0.00 C ATOM 1040 CG ARG A 66 2.530 27.428 -2.032 1.00 0.00 C ATOM 1041 CD ARG A 66 1.158 27.397 -1.350 1.00 0.00 C ATOM 1042 NE ARG A 66 0.879 28.734 -0.752 1.00 0.00 N ATOM 1043 CZ ARG A 66 -0.306 28.983 -0.264 1.00 0.00 C ATOM 1044 NH1 ARG A 66 -0.626 28.482 0.899 1.00 0.00 N ATOM 1045 NH2 ARG A 66 -1.131 29.723 -0.953 1.00 0.00 N ATOM 0 H ARG A 66 4.423 26.692 -3.641 1.00 0.00 H new ATOM 0 HA ARG A 66 4.130 29.640 -4.127 1.00 0.00 H new ATOM 0 HB2 ARG A 66 2.710 29.581 -1.946 1.00 0.00 H new ATOM 0 HB3 ARG A 66 1.920 28.992 -3.395 1.00 0.00 H new ATOM 0 HG2 ARG A 66 2.597 26.634 -2.776 1.00 0.00 H new ATOM 0 HG3 ARG A 66 3.317 27.247 -1.300 1.00 0.00 H new ATOM 0 HD2 ARG A 66 0.384 27.140 -2.074 1.00 0.00 H new ATOM 0 HD3 ARG A 66 1.140 26.628 -0.577 1.00 0.00 H new ATOM 0 HE ARG A 66 1.607 29.448 -0.724 1.00 0.00 H new ATOM 0 HH11 ARG A 66 0.045 27.908 1.409 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -1.547 28.665 1.297 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -0.846 30.097 -1.858 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -2.061 29.927 -0.586 1.00 0.00 H new ATOM 1059 N ILE A 67 5.468 30.147 -1.968 1.00 0.00 N ATOM 1060 CA ILE A 67 6.568 30.343 -0.968 1.00 0.00 C ATOM 1061 C ILE A 67 6.018 30.570 0.429 1.00 0.00 C ATOM 1062 O ILE A 67 5.072 31.305 0.609 1.00 0.00 O ATOM 1063 CB ILE A 67 7.356 31.584 -1.373 1.00 0.00 C ATOM 1064 CG1 ILE A 67 8.348 31.227 -2.467 1.00 0.00 C ATOM 1065 CG2 ILE A 67 8.138 32.101 -0.150 1.00 0.00 C ATOM 1066 CD1 ILE A 67 8.792 32.508 -3.182 1.00 0.00 C ATOM 0 H ILE A 67 4.972 30.993 -2.247 1.00 0.00 H new ATOM 0 HA ILE A 67 7.190 29.448 -0.955 1.00 0.00 H new ATOM 0 HB ILE A 67 6.667 32.347 -1.736 1.00 0.00 H new ATOM 0 HG12 ILE A 67 9.211 30.717 -2.039 1.00 0.00 H new ATOM 0 HG13 ILE A 67 7.891 30.539 -3.178 1.00 0.00 H new ATOM 0 HG21 ILE A 67 8.705 32.989 -0.430 1.00 0.00 H new ATOM 0 HG22 ILE A 67 7.440 32.353 0.648 1.00 0.00 H new ATOM 0 HG23 ILE A 67 8.823 31.328 0.197 1.00 0.00 H new ATOM 0 HD11 ILE A 67 9.504 32.258 -3.968 1.00 0.00 H new ATOM 0 HD12 ILE A 67 7.924 32.999 -3.622 1.00 0.00 H new ATOM 0 HD13 ILE A 67 9.264 33.180 -2.465 1.00 0.00 H new ATOM 1078 N THR A 68 6.642 29.942 1.405 1.00 0.00 N ATOM 1079 CA THR A 68 6.186 30.102 2.764 1.00 0.00 C ATOM 1080 C THR A 68 7.271 29.653 3.710 1.00 0.00 C ATOM 1081 O THR A 68 7.325 28.509 4.102 1.00 0.00 O ATOM 1082 CB THR A 68 4.953 29.227 2.989 1.00 0.00 C ATOM 1083 OG1 THR A 68 5.169 28.063 2.220 1.00 0.00 O ATOM 1084 CG2 THR A 68 3.693 29.868 2.384 1.00 0.00 C ATOM 0 H THR A 68 7.449 29.330 1.284 1.00 0.00 H new ATOM 0 HA THR A 68 5.942 31.149 2.943 1.00 0.00 H new ATOM 0 HB THR A 68 4.815 29.065 4.058 1.00 0.00 H new ATOM 0 HG1 THR A 68 6.015 27.647 2.487 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.834 29.220 2.561 1.00 0.00 H new ATOM 0 HG22 THR A 68 3.519 30.838 2.850 1.00 0.00 H new ATOM 0 HG23 THR A 68 3.832 30.001 1.311 1.00 0.00 H new ATOM 1092 N TYR A 69 8.110 30.595 3.998 1.00 0.00 N ATOM 1093 CA TYR A 69 9.293 30.420 4.936 1.00 0.00 C ATOM 1094 C TYR A 69 10.575 30.696 4.192 1.00 0.00 C ATOM 1095 O TYR A 69 10.856 30.075 3.187 1.00 0.00 O ATOM 1096 CB TYR A 69 9.351 29.001 5.545 1.00 0.00 C ATOM 1097 CG TYR A 69 10.468 28.956 6.588 1.00 0.00 C ATOM 1098 CD1 TYR A 69 10.222 29.356 7.886 1.00 0.00 C ATOM 1099 CD2 TYR A 69 11.733 28.522 6.251 1.00 0.00 C ATOM 1100 CE1 TYR A 69 11.223 29.323 8.832 1.00 0.00 C ATOM 1101 CE2 TYR A 69 12.736 28.490 7.199 1.00 0.00 C ATOM 1102 CZ TYR A 69 12.488 28.891 8.497 1.00 0.00 C ATOM 1103 OH TYR A 69 13.491 28.864 9.444 1.00 0.00 O ATOM 0 H TYR A 69 8.037 31.536 3.611 1.00 0.00 H new ATOM 0 HA TYR A 69 9.168 31.129 5.755 1.00 0.00 H new ATOM 0 HB2 TYR A 69 8.395 28.749 6.005 1.00 0.00 H new ATOM 0 HB3 TYR A 69 9.534 28.263 4.764 1.00 0.00 H new ATOM 0 HD1 TYR A 69 9.236 29.698 8.163 1.00 0.00 H new ATOM 0 HD2 TYR A 69 11.940 28.205 5.239 1.00 0.00 H new ATOM 0 HE1 TYR A 69 11.015 29.638 9.844 1.00 0.00 H new ATOM 0 HE2 TYR A 69 13.723 28.149 6.923 1.00 0.00 H new ATOM 0 HH TYR A 69 14.317 28.531 9.036 1.00 0.00 H new ATOM 1113 N ARG A 70 11.344 31.630 4.692 1.00 0.00 N ATOM 1114 CA ARG A 70 12.605 31.943 4.006 1.00 0.00 C ATOM 1115 C ARG A 70 13.649 32.530 4.929 1.00 0.00 C ATOM 1116 O ARG A 70 13.341 33.077 5.971 1.00 0.00 O ATOM 1117 CB ARG A 70 12.302 32.962 2.907 1.00 0.00 C ATOM 1118 CG ARG A 70 11.579 34.150 3.530 1.00 0.00 C ATOM 1119 CD ARG A 70 12.563 35.309 3.704 1.00 0.00 C ATOM 1120 NE ARG A 70 11.852 36.460 4.332 1.00 0.00 N ATOM 1121 CZ ARG A 70 11.622 36.448 5.617 1.00 0.00 C ATOM 1122 NH1 ARG A 70 12.637 36.475 6.439 1.00 0.00 N ATOM 1123 NH2 ARG A 70 10.387 36.415 6.038 1.00 0.00 N ATOM 0 H ARG A 70 11.147 32.174 5.532 1.00 0.00 H new ATOM 0 HA ARG A 70 13.010 31.012 3.609 1.00 0.00 H new ATOM 0 HB2 ARG A 70 13.226 33.289 2.430 1.00 0.00 H new ATOM 0 HB3 ARG A 70 11.685 32.509 2.131 1.00 0.00 H new ATOM 0 HG2 ARG A 70 10.747 34.457 2.896 1.00 0.00 H new ATOM 0 HG3 ARG A 70 11.158 33.868 4.495 1.00 0.00 H new ATOM 0 HD2 ARG A 70 13.402 35.000 4.327 1.00 0.00 H new ATOM 0 HD3 ARG A 70 12.974 35.602 2.738 1.00 0.00 H new ATOM 0 HE ARG A 70 11.548 37.250 3.762 1.00 0.00 H new ATOM 0 HH11 ARG A 70 13.589 36.505 6.073 1.00 0.00 H new ATOM 0 HH12 ARG A 70 12.478 36.466 7.446 1.00 0.00 H new ATOM 0 HH21 ARG A 70 9.619 36.399 5.366 1.00 0.00 H new ATOM 0 HH22 ARG A 70 10.189 36.405 7.039 1.00 0.00 H new ATOM 1137 N ALA A 71 14.879 32.392 4.510 1.00 0.00 N ATOM 1138 CA ALA A 71 16.002 32.913 5.300 1.00 0.00 C ATOM 1139 C ALA A 71 16.969 33.684 4.402 1.00 0.00 C ATOM 1140 O ALA A 71 17.025 33.462 3.194 1.00 0.00 O ATOM 1141 CB ALA A 71 16.742 31.722 5.928 1.00 0.00 C ATOM 0 H ALA A 71 15.144 31.932 3.639 1.00 0.00 H new ATOM 0 HA ALA A 71 15.626 33.586 6.071 1.00 0.00 H new ATOM 0 HB1 ALA A 71 17.581 32.086 6.520 1.00 0.00 H new ATOM 0 HB2 ALA A 71 16.059 31.167 6.570 1.00 0.00 H new ATOM 0 HB3 ALA A 71 17.112 31.067 5.139 1.00 0.00 H new ATOM 1147 N ARG A 72 17.701 34.585 4.999 1.00 0.00 N ATOM 1148 CA ARG A 72 18.668 35.383 4.208 1.00 0.00 C ATOM 1149 C ARG A 72 18.031 35.896 2.924 1.00 0.00 C ATOM 1150 O ARG A 72 17.415 36.945 3.007 1.00 0.00 O ATOM 1151 CB ARG A 72 19.856 34.481 3.847 1.00 0.00 C ATOM 1152 CG ARG A 72 20.985 35.344 3.282 1.00 0.00 C ATOM 1153 CD ARG A 72 22.149 34.439 2.871 1.00 0.00 C ATOM 1154 NE ARG A 72 22.830 33.939 4.097 1.00 0.00 N ATOM 1155 CZ ARG A 72 23.679 32.955 4.000 1.00 0.00 C ATOM 1156 NH1 ARG A 72 24.841 33.178 3.452 1.00 0.00 N ATOM 1157 NH2 ARG A 72 23.338 31.780 4.455 1.00 0.00 N ATOM 1158 OXT ARG A 72 18.195 35.211 1.927 1.00 0.00 O ATOM 0 H ARG A 72 17.669 34.799 5.996 1.00 0.00 H new ATOM 0 HA ARG A 72 18.990 36.240 4.800 1.00 0.00 H new ATOM 0 HB2 ARG A 72 20.200 33.942 4.729 1.00 0.00 H new ATOM 0 HB3 ARG A 72 19.552 33.733 3.115 1.00 0.00 H new ATOM 0 HG2 ARG A 72 20.630 35.913 2.423 1.00 0.00 H new ATOM 0 HG3 ARG A 72 21.316 36.066 4.028 1.00 0.00 H new ATOM 0 HD2 ARG A 72 21.783 33.602 2.276 1.00 0.00 H new ATOM 0 HD3 ARG A 72 22.853 34.990 2.248 1.00 0.00 H new ATOM 0 HE ARG A 72 22.634 34.362 5.004 1.00 0.00 H new ATOM 0 HH11 ARG A 72 25.072 34.110 3.108 1.00 0.00 H new ATOM 0 HH12 ARG A 72 25.519 32.420 3.367 1.00 0.00 H new ATOM 0 HH21 ARG A 72 22.420 31.644 4.878 1.00 0.00 H new ATOM 0 HH22 ARG A 72 23.990 30.998 4.388 1.00 0.00 H new