USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 739 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 44 HIS : no HE2:sc= -0.559 K(o=-0.46,f=-6.4!) USER MOD Set 1.2: A 85 LYS NZ :NH3+ -167:sc= 0.0987 (180deg=0) USER MOD Set 2.1: A 80 HIS : no HD1:sc= -0.949 K(o=-0.42,f=-1.8) USER MOD Set 2.2: A 87 GLN : amide:sc= 0.531 K(o=-0.42,f=-1.1) USER MOD Set 3.1: A 62 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 71 LYS NZ :NH3+ 165:sc= 0.00161 (180deg=0) USER MOD Set 4.1: A 48 MET CE :methyl -146:sc= -2.08 (180deg=-5.4!) USER MOD Set 4.2: A 51 GLN : amide:sc= -1.82 K(o=-3.9,f=-4.6) USER MOD Set 5.1: A 10 LYS NZ :NH3+ -153:sc= 0.591 (180deg=0) USER MOD Set 5.2: A 12 GLN : amide:sc= -1.67 K(o=-1.1,f=-8.9!) USER MOD Set 6.1: A 5 ASN : amide:sc= -1.78! C(o=-0.86!,f=-6.1!) USER MOD Set 6.2: A 46 LYS NZ :NH3+ 144:sc= 0.917 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 95:sc= 0.0547 USER MOD Single : A 24 ASN : amide:sc= 0.873 K(o=0.87,f=-0.011) USER MOD Single : A 25 LYS NZ :NH3+ 143:sc= 1.15 (180deg=0.252) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.0417 X(o=-0.042,f=-0.042) USER MOD Single : A 50 MET CE :methyl -141:sc= -1.07 (180deg=-4.74!) USER MOD Single : A 53 LYS NZ :NH3+ 161:sc= 1.23 (180deg=0.746) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -163:sc= 0.818 (180deg=0.65) USER MOD Single : A 73 LYS NZ :NH3+ -156:sc= -0.0744 (180deg=-0.863) USER MOD Single : A 75 GLN : amide:sc= -0.0829 X(o=-0.083,f=-0.083) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=-0.042) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 HIS : no HE2:sc= -1.83 X(o=-1.8,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 20 N PHE A 2 -30.638 21.170 12.941 1.00 0.00 N ATOM 21 CA PHE A 2 -29.704 20.198 12.380 1.00 0.00 C ATOM 22 C PHE A 2 -29.534 19.005 13.326 1.00 0.00 C ATOM 23 O PHE A 2 -30.145 17.963 13.108 1.00 0.00 O ATOM 24 CB PHE A 2 -28.358 20.887 12.111 1.00 0.00 C ATOM 25 CG PHE A 2 -28.258 21.549 10.761 1.00 0.00 C ATOM 26 CD1 PHE A 2 -27.845 20.775 9.663 1.00 0.00 C ATOM 27 CD2 PHE A 2 -28.495 22.928 10.607 1.00 0.00 C ATOM 28 CE1 PHE A 2 -27.645 21.379 8.417 1.00 0.00 C ATOM 29 CE2 PHE A 2 -28.323 23.526 9.348 1.00 0.00 C ATOM 30 CZ PHE A 2 -27.898 22.750 8.255 1.00 0.00 C ATOM 0 HA PHE A 2 -30.100 19.816 11.439 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -28.186 21.636 12.884 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -27.561 20.149 12.200 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -27.682 19.714 9.781 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -28.807 23.523 11.452 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -27.296 20.791 7.581 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -28.517 24.581 9.219 1.00 0.00 H new ATOM 0 HZ PHE A 2 -27.766 23.211 7.287 1.00 0.00 H new ATOM 40 N THR A 3 -28.728 19.196 14.378 1.00 0.00 N ATOM 41 CA THR A 3 -28.454 18.272 15.471 1.00 0.00 C ATOM 42 C THR A 3 -27.884 16.908 15.020 1.00 0.00 C ATOM 43 O THR A 3 -28.614 16.037 14.547 1.00 0.00 O ATOM 44 CB THR A 3 -29.710 18.116 16.334 1.00 0.00 C ATOM 45 OG1 THR A 3 -30.283 19.359 16.700 1.00 0.00 O ATOM 46 CG2 THR A 3 -29.415 17.370 17.635 1.00 0.00 C ATOM 0 H THR A 3 -28.214 20.070 14.490 1.00 0.00 H new ATOM 0 HA THR A 3 -27.655 18.710 16.069 1.00 0.00 H new ATOM 0 HB THR A 3 -30.405 17.555 15.710 1.00 0.00 H new ATOM 0 HG1 THR A 3 -31.081 19.203 17.247 1.00 0.00 H new ATOM 0 HG21 THR A 3 -30.331 17.280 18.219 1.00 0.00 H new ATOM 0 HG22 THR A 3 -29.032 16.376 17.405 1.00 0.00 H new ATOM 0 HG23 THR A 3 -28.671 17.922 18.210 1.00 0.00 H new ATOM 54 N ILE A 4 -26.569 16.708 15.195 1.00 0.00 N ATOM 55 CA ILE A 4 -25.840 15.566 14.653 1.00 0.00 C ATOM 56 C ILE A 4 -25.512 14.597 15.788 1.00 0.00 C ATOM 57 O ILE A 4 -24.458 14.665 16.411 1.00 0.00 O ATOM 58 CB ILE A 4 -24.593 15.971 13.827 1.00 0.00 C ATOM 59 CG1 ILE A 4 -24.467 17.444 13.404 1.00 0.00 C ATOM 60 CG2 ILE A 4 -24.499 15.044 12.612 1.00 0.00 C ATOM 61 CD1 ILE A 4 -25.621 18.014 12.575 1.00 0.00 C ATOM 0 H ILE A 4 -25.979 17.349 15.726 1.00 0.00 H new ATOM 0 HA ILE A 4 -26.483 15.059 13.934 1.00 0.00 H new ATOM 0 HB ILE A 4 -23.751 15.855 14.509 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -24.360 18.050 14.304 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -23.546 17.558 12.832 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -23.627 15.312 12.016 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -24.405 14.012 12.949 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -25.399 15.147 12.005 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -25.418 19.058 12.338 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -25.721 17.445 11.651 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -26.547 17.945 13.145 1.00 0.00 H new ATOM 73 N ASN A 5 -26.456 13.710 16.092 1.00 0.00 N ATOM 74 CA ASN A 5 -26.384 12.812 17.237 1.00 0.00 C ATOM 75 C ASN A 5 -25.134 11.926 17.117 1.00 0.00 C ATOM 76 O ASN A 5 -24.985 11.217 16.118 1.00 0.00 O ATOM 77 CB ASN A 5 -27.690 12.005 17.348 1.00 0.00 C ATOM 78 CG ASN A 5 -28.923 12.838 16.985 1.00 0.00 C ATOM 79 OD1 ASN A 5 -29.566 12.590 15.968 1.00 0.00 O ATOM 80 ND2 ASN A 5 -29.198 13.892 17.746 1.00 0.00 N ATOM 0 H ASN A 5 -27.306 13.595 15.539 1.00 0.00 H new ATOM 0 HA ASN A 5 -26.285 13.378 18.163 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -27.635 11.137 16.691 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -27.796 11.628 18.365 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -29.960 14.520 17.491 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -28.647 14.073 18.585 1.00 0.00 H new ATOM 87 N ALA A 6 -24.232 12.010 18.107 1.00 0.00 N ATOM 88 CA ALA A 6 -22.975 11.272 18.160 1.00 0.00 C ATOM 89 C ALA A 6 -22.895 10.537 19.506 1.00 0.00 C ATOM 90 O ALA A 6 -23.899 10.340 20.192 1.00 0.00 O ATOM 91 CB ALA A 6 -21.776 12.221 17.910 1.00 0.00 C ATOM 0 H ALA A 6 -24.369 12.616 18.916 1.00 0.00 H new ATOM 0 HA ALA A 6 -22.933 10.525 17.367 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -20.847 11.653 17.953 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -21.875 12.681 16.927 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -21.762 12.998 18.674 1.00 0.00 H new ATOM 97 N GLU A 7 -21.687 10.132 19.884 1.00 0.00 N ATOM 98 CA GLU A 7 -21.294 9.684 21.209 1.00 0.00 C ATOM 99 C GLU A 7 -19.791 9.935 21.301 1.00 0.00 C ATOM 100 O GLU A 7 -19.082 9.805 20.307 1.00 0.00 O ATOM 101 CB GLU A 7 -21.667 8.207 21.423 1.00 0.00 C ATOM 102 CG GLU A 7 -20.980 7.253 20.436 1.00 0.00 C ATOM 103 CD GLU A 7 -21.641 5.874 20.432 1.00 0.00 C ATOM 104 OE1 GLU A 7 -21.307 5.075 21.335 1.00 0.00 O ATOM 105 OE2 GLU A 7 -22.483 5.644 19.534 1.00 0.00 O ATOM 0 H GLU A 7 -20.907 10.108 19.227 1.00 0.00 H new ATOM 0 HA GLU A 7 -21.817 10.224 21.999 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -21.402 7.917 22.440 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -22.747 8.096 21.331 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -21.017 7.678 19.433 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -19.927 7.152 20.700 1.00 0.00 H new ATOM 112 N VAL A 8 -19.295 10.327 22.471 1.00 0.00 N ATOM 113 CA VAL A 8 -17.878 10.614 22.673 1.00 0.00 C ATOM 114 C VAL A 8 -17.040 9.354 22.488 1.00 0.00 C ATOM 115 O VAL A 8 -17.434 8.264 22.903 1.00 0.00 O ATOM 116 CB VAL A 8 -17.652 11.231 24.061 1.00 0.00 C ATOM 117 CG1 VAL A 8 -18.126 12.681 24.039 1.00 0.00 C ATOM 118 CG2 VAL A 8 -18.382 10.485 25.183 1.00 0.00 C ATOM 0 H VAL A 8 -19.865 10.455 23.307 1.00 0.00 H new ATOM 0 HA VAL A 8 -17.559 11.338 21.923 1.00 0.00 H new ATOM 0 HB VAL A 8 -16.585 11.160 24.273 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -17.970 13.130 25.020 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -17.560 13.237 23.292 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -19.187 12.713 23.789 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -18.179 10.973 26.136 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -19.455 10.497 24.990 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -18.032 9.454 25.222 1.00 0.00 H new ATOM 128 N ARG A 9 -15.860 9.536 21.887 1.00 0.00 N ATOM 129 CA ARG A 9 -14.885 8.461 21.724 1.00 0.00 C ATOM 130 C ARG A 9 -13.469 8.924 22.043 1.00 0.00 C ATOM 131 O ARG A 9 -13.156 10.101 21.887 1.00 0.00 O ATOM 132 CB ARG A 9 -14.995 7.837 20.335 1.00 0.00 C ATOM 133 CG ARG A 9 -14.808 8.862 19.227 1.00 0.00 C ATOM 134 CD ARG A 9 -14.321 8.244 17.921 1.00 0.00 C ATOM 135 NE ARG A 9 -13.779 9.351 17.145 1.00 0.00 N ATOM 136 CZ ARG A 9 -12.640 9.374 16.436 1.00 0.00 C ATOM 137 NH1 ARG A 9 -11.997 8.244 16.135 1.00 0.00 N ATOM 138 NH2 ARG A 9 -12.142 10.547 16.035 1.00 0.00 N ATOM 0 H ARG A 9 -15.558 10.431 21.502 1.00 0.00 H new ATOM 0 HA ARG A 9 -15.119 7.683 22.450 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -14.246 7.052 20.231 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -15.971 7.363 20.228 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -15.754 9.374 19.050 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -14.093 9.617 19.554 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -13.561 7.485 18.106 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -15.138 7.755 17.390 1.00 0.00 H new ATOM 0 HE ARG A 9 -14.330 10.209 17.140 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -12.370 7.347 16.445 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -11.132 8.278 15.595 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -12.627 11.413 16.268 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -11.277 10.576 15.496 1.00 0.00 H new ATOM 152 N LYS A 10 -12.604 7.976 22.422 1.00 0.00 N ATOM 153 CA LYS A 10 -11.156 8.151 22.545 1.00 0.00 C ATOM 154 C LYS A 10 -10.356 6.988 21.924 1.00 0.00 C ATOM 155 O LYS A 10 -9.131 7.048 21.869 1.00 0.00 O ATOM 156 CB LYS A 10 -10.766 8.415 24.005 1.00 0.00 C ATOM 157 CG LYS A 10 -11.109 9.833 24.502 1.00 0.00 C ATOM 158 CD LYS A 10 -10.218 10.956 23.925 1.00 0.00 C ATOM 159 CE LYS A 10 -10.790 11.676 22.691 1.00 0.00 C ATOM 160 NZ LYS A 10 -9.789 12.590 22.094 1.00 0.00 N ATOM 0 H LYS A 10 -12.907 7.031 22.660 1.00 0.00 H new ATOM 0 HA LYS A 10 -10.885 9.031 21.962 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -11.269 7.687 24.641 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -9.694 8.251 24.119 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -12.148 10.049 24.252 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -11.032 9.850 25.589 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -10.040 11.694 24.707 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -9.250 10.531 23.661 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -11.103 10.941 21.950 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -11.678 12.240 22.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -10.277 13.364 21.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -9.187 12.984 22.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -9.199 12.065 21.417 1.00 0.00 H new ATOM 174 N GLU A 11 -11.043 5.967 21.399 1.00 0.00 N ATOM 175 CA GLU A 11 -10.500 4.770 20.728 1.00 0.00 C ATOM 176 C GLU A 11 -9.857 5.045 19.344 1.00 0.00 C ATOM 177 O GLU A 11 -9.626 4.109 18.579 1.00 0.00 O ATOM 178 CB GLU A 11 -11.551 3.619 20.656 1.00 0.00 C ATOM 179 CG GLU A 11 -13.045 3.946 20.863 1.00 0.00 C ATOM 180 CD GLU A 11 -13.445 4.101 22.330 1.00 0.00 C ATOM 181 OE1 GLU A 11 -13.740 3.059 22.957 1.00 0.00 O ATOM 182 OE2 GLU A 11 -13.471 5.269 22.783 1.00 0.00 O ATOM 0 H GLU A 11 -12.062 5.950 21.431 1.00 0.00 H new ATOM 0 HA GLU A 11 -9.677 4.441 21.363 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -11.452 3.145 19.679 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -11.272 2.874 21.401 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -13.283 4.868 20.332 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -13.646 3.155 20.414 1.00 0.00 H new ATOM 189 N GLN A 12 -9.581 6.310 19.000 1.00 0.00 N ATOM 190 CA GLN A 12 -9.246 6.778 17.651 1.00 0.00 C ATOM 191 C GLN A 12 -8.187 5.977 16.895 1.00 0.00 C ATOM 192 O GLN A 12 -8.348 5.804 15.691 1.00 0.00 O ATOM 193 CB GLN A 12 -8.812 8.252 17.635 1.00 0.00 C ATOM 194 CG GLN A 12 -8.287 8.898 18.909 1.00 0.00 C ATOM 195 CD GLN A 12 -9.376 9.516 19.796 1.00 0.00 C ATOM 196 OE1 GLN A 12 -9.051 10.209 20.750 1.00 0.00 O ATOM 197 NE2 GLN A 12 -10.671 9.300 19.528 1.00 0.00 N ATOM 0 H GLN A 12 -9.586 7.066 19.684 1.00 0.00 H new ATOM 0 HA GLN A 12 -10.190 6.631 17.127 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -8.038 8.355 16.875 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -9.667 8.839 17.301 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -7.746 8.149 19.487 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -7.569 9.673 18.641 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -10.937 8.721 18.731 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -11.390 9.714 20.121 1.00 0.00 H new ATOM 206 N GLY A 13 -7.137 5.530 17.595 1.00 0.00 N ATOM 207 CA GLY A 13 -5.868 4.977 17.098 1.00 0.00 C ATOM 208 C GLY A 13 -5.886 3.830 16.071 1.00 0.00 C ATOM 209 O GLY A 13 -4.807 3.362 15.717 1.00 0.00 O ATOM 0 H GLY A 13 -7.154 5.547 18.615 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -5.305 5.800 16.658 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -5.303 4.631 17.963 1.00 0.00 H new ATOM 213 N LYS A 14 -7.078 3.429 15.607 1.00 0.00 N ATOM 214 CA LYS A 14 -7.562 2.514 14.563 1.00 0.00 C ATOM 215 C LYS A 14 -8.765 1.756 15.108 1.00 0.00 C ATOM 216 O LYS A 14 -9.705 1.524 14.350 1.00 0.00 O ATOM 217 CB LYS A 14 -6.545 1.510 13.990 1.00 0.00 C ATOM 218 CG LYS A 14 -6.185 1.675 12.512 1.00 0.00 C ATOM 219 CD LYS A 14 -7.352 1.482 11.532 1.00 0.00 C ATOM 220 CE LYS A 14 -6.836 1.024 10.159 1.00 0.00 C ATOM 221 NZ LYS A 14 -5.955 2.009 9.503 1.00 0.00 N ATOM 0 H LYS A 14 -7.898 3.833 16.061 1.00 0.00 H new ATOM 0 HA LYS A 14 -7.805 3.156 13.716 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -5.628 1.581 14.575 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -6.939 0.504 14.136 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -5.768 2.671 12.365 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -5.400 0.961 12.263 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -8.049 0.744 11.929 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -7.903 2.416 11.426 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -6.294 0.086 10.278 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -7.687 0.820 9.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -5.643 1.637 8.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -6.475 2.898 9.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -5.125 2.187 10.104 1.00 0.00 H new ATOM 235 N GLY A 15 -8.736 1.391 16.401 1.00 0.00 N ATOM 236 CA GLY A 15 -9.763 0.626 17.094 1.00 0.00 C ATOM 237 C GLY A 15 -11.169 1.155 16.817 1.00 0.00 C ATOM 238 O GLY A 15 -12.030 0.389 16.378 1.00 0.00 O ATOM 0 H GLY A 15 -7.956 1.637 17.011 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -9.704 -0.418 16.787 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -9.572 0.654 18.167 1.00 0.00 H new ATOM 242 N ALA A 16 -11.381 2.461 17.036 1.00 0.00 N ATOM 243 CA ALA A 16 -12.622 3.157 16.726 1.00 0.00 C ATOM 244 C ALA A 16 -12.870 3.191 15.224 1.00 0.00 C ATOM 245 O ALA A 16 -13.944 2.830 14.761 1.00 0.00 O ATOM 246 CB ALA A 16 -12.607 4.592 17.228 1.00 0.00 C ATOM 0 H ALA A 16 -10.672 3.070 17.444 1.00 0.00 H new ATOM 0 HA ALA A 16 -13.415 2.603 17.229 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -13.551 5.075 16.976 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -12.474 4.598 18.310 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -11.786 5.133 16.758 1.00 0.00 H new ATOM 252 N SER A 17 -11.880 3.651 14.461 1.00 0.00 N ATOM 253 CA SER A 17 -12.056 4.010 13.053 1.00 0.00 C ATOM 254 C SER A 17 -12.547 2.826 12.208 1.00 0.00 C ATOM 255 O SER A 17 -13.190 3.029 11.177 1.00 0.00 O ATOM 256 CB SER A 17 -10.749 4.586 12.500 1.00 0.00 C ATOM 257 OG SER A 17 -10.390 5.740 13.229 1.00 0.00 O ATOM 0 H SER A 17 -10.928 3.786 14.803 1.00 0.00 H new ATOM 0 HA SER A 17 -12.833 4.772 12.993 1.00 0.00 H new ATOM 0 HB2 SER A 17 -9.956 3.841 12.566 1.00 0.00 H new ATOM 0 HB3 SER A 17 -10.867 4.833 11.445 1.00 0.00 H new ATOM 0 HG SER A 17 -9.765 5.495 13.943 1.00 0.00 H new ATOM 263 N ARG A 18 -12.323 1.594 12.689 1.00 0.00 N ATOM 264 CA ARG A 18 -12.796 0.370 12.072 1.00 0.00 C ATOM 265 C ARG A 18 -14.137 -0.092 12.641 1.00 0.00 C ATOM 266 O ARG A 18 -14.903 -0.615 11.847 1.00 0.00 O ATOM 267 CB ARG A 18 -11.705 -0.718 12.076 1.00 0.00 C ATOM 268 CG ARG A 18 -11.280 -1.292 13.437 1.00 0.00 C ATOM 269 CD ARG A 18 -12.327 -2.198 14.101 1.00 0.00 C ATOM 270 NE ARG A 18 -11.782 -3.523 14.417 1.00 0.00 N ATOM 271 CZ ARG A 18 -11.036 -3.830 15.488 1.00 0.00 C ATOM 272 NH1 ARG A 18 -10.772 -2.934 16.444 1.00 0.00 N ATOM 273 NH2 ARG A 18 -10.535 -5.055 15.608 1.00 0.00 N ATOM 0 H ARG A 18 -11.791 1.429 13.544 1.00 0.00 H new ATOM 0 HA ARG A 18 -13.001 0.585 11.023 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -12.052 -1.545 11.456 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -10.819 -0.307 11.593 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -10.358 -1.859 13.306 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -11.053 -0.466 14.111 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -12.688 -1.726 15.015 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -13.185 -2.307 13.438 1.00 0.00 H new ATOM 0 HE ARG A 18 -11.989 -4.278 13.763 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -11.141 -1.986 16.371 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -10.201 -3.198 17.247 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -10.719 -5.754 14.888 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -9.967 -5.296 16.420 1.00 0.00 H new ATOM 287 N ARG A 19 -14.472 0.094 13.937 1.00 0.00 N ATOM 288 CA ARG A 19 -15.823 -0.239 14.437 1.00 0.00 C ATOM 289 C ARG A 19 -16.870 0.701 13.820 1.00 0.00 C ATOM 290 O ARG A 19 -17.981 0.270 13.504 1.00 0.00 O ATOM 291 CB ARG A 19 -15.943 -0.253 15.983 1.00 0.00 C ATOM 292 CG ARG A 19 -15.484 1.055 16.631 1.00 0.00 C ATOM 293 CD ARG A 19 -15.926 1.405 18.052 1.00 0.00 C ATOM 294 NE ARG A 19 -15.405 0.491 19.077 1.00 0.00 N ATOM 295 CZ ARG A 19 -15.518 0.695 20.402 1.00 0.00 C ATOM 296 NH1 ARG A 19 -16.209 1.737 20.884 1.00 0.00 N ATOM 297 NH2 ARG A 19 -14.930 -0.149 21.255 1.00 0.00 N ATOM 0 H ARG A 19 -13.838 0.466 14.644 1.00 0.00 H new ATOM 0 HA ARG A 19 -16.015 -1.264 14.119 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -16.980 -0.445 16.260 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -15.350 -1.077 16.380 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -14.394 1.055 16.622 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -15.808 1.869 15.982 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -15.601 2.419 18.284 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -17.015 1.401 18.095 1.00 0.00 H new ATOM 0 HE ARG A 19 -14.926 -0.353 18.764 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -16.659 2.390 20.243 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -16.285 1.877 21.892 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -14.398 -0.944 20.901 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -15.013 0.002 22.260 1.00 0.00 H new ATOM 311 N LEU A 20 -16.494 1.970 13.603 1.00 0.00 N ATOM 312 CA LEU A 20 -17.341 2.974 13.004 1.00 0.00 C ATOM 313 C LEU A 20 -17.679 2.540 11.586 1.00 0.00 C ATOM 314 O LEU A 20 -18.856 2.340 11.277 1.00 0.00 O ATOM 315 CB LEU A 20 -16.637 4.339 13.060 1.00 0.00 C ATOM 316 CG LEU A 20 -16.922 5.063 14.392 1.00 0.00 C ATOM 317 CD1 LEU A 20 -15.811 5.049 15.432 1.00 0.00 C ATOM 318 CD2 LEU A 20 -17.127 6.545 14.145 1.00 0.00 C ATOM 0 H LEU A 20 -15.568 2.320 13.850 1.00 0.00 H new ATOM 0 HA LEU A 20 -18.278 3.079 13.552 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -15.562 4.201 12.941 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -16.973 4.958 12.228 1.00 0.00 H new ATOM 0 HG LEU A 20 -17.783 4.512 14.771 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -16.137 5.591 16.320 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -15.577 4.019 15.701 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -14.922 5.527 15.021 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -17.328 7.047 15.091 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -16.229 6.966 13.694 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -17.972 6.688 13.472 1.00 0.00 H new ATOM 330 N ARG A 21 -16.648 2.300 10.765 1.00 0.00 N ATOM 331 CA ARG A 21 -16.786 1.721 9.446 1.00 0.00 C ATOM 332 C ARG A 21 -17.489 0.367 9.459 1.00 0.00 C ATOM 333 O ARG A 21 -18.141 0.024 8.474 1.00 0.00 O ATOM 334 CB ARG A 21 -15.368 1.626 8.873 1.00 0.00 C ATOM 335 CG ARG A 21 -15.323 1.301 7.381 1.00 0.00 C ATOM 336 CD ARG A 21 -13.868 1.124 6.941 1.00 0.00 C ATOM 337 NE ARG A 21 -13.322 -0.183 7.353 1.00 0.00 N ATOM 338 CZ ARG A 21 -12.239 -0.790 6.838 1.00 0.00 C ATOM 339 NH1 ARG A 21 -11.511 -0.211 5.876 1.00 0.00 N ATOM 340 NH2 ARG A 21 -11.884 -1.997 7.293 1.00 0.00 N ATOM 0 H ARG A 21 -15.682 2.511 11.015 1.00 0.00 H new ATOM 0 HA ARG A 21 -17.425 2.347 8.823 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -14.853 2.572 9.044 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -14.817 0.860 9.418 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -15.888 0.391 7.179 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -15.792 2.102 6.809 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -13.803 1.219 5.857 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -13.260 1.922 7.368 1.00 0.00 H new ATOM 0 HE ARG A 21 -13.813 -0.673 8.100 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -11.775 0.708 5.520 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -10.693 -0.689 5.499 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -12.434 -2.448 8.024 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -11.064 -2.466 6.909 1.00 0.00 H new ATOM 354 N ALA A 22 -17.383 -0.383 10.561 1.00 0.00 N ATOM 355 CA ALA A 22 -17.967 -1.721 10.626 1.00 0.00 C ATOM 356 C ALA A 22 -19.476 -1.725 10.889 1.00 0.00 C ATOM 357 O ALA A 22 -20.098 -2.770 10.692 1.00 0.00 O ATOM 358 CB ALA A 22 -17.239 -2.559 11.666 1.00 0.00 C ATOM 0 H ALA A 22 -16.903 -0.088 11.411 1.00 0.00 H new ATOM 0 HA ALA A 22 -17.837 -2.162 9.638 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -17.682 -3.554 11.706 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -16.186 -2.641 11.395 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -17.326 -2.083 12.643 1.00 0.00 H new ATOM 364 N ALA A 23 -20.079 -0.590 11.275 1.00 0.00 N ATOM 365 CA ALA A 23 -21.518 -0.421 11.239 1.00 0.00 C ATOM 366 C ALA A 23 -21.825 0.400 10.004 1.00 0.00 C ATOM 367 O ALA A 23 -22.089 -0.180 8.954 1.00 0.00 O ATOM 368 CB ALA A 23 -22.007 0.192 12.560 1.00 0.00 C ATOM 0 H ALA A 23 -19.574 0.227 11.618 1.00 0.00 H new ATOM 0 HA ALA A 23 -22.058 -1.365 11.160 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -23.089 0.316 12.525 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -21.744 -0.468 13.387 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -21.535 1.164 12.707 1.00 0.00 H new ATOM 374 N ASN A 24 -21.786 1.727 10.131 1.00 0.00 N ATOM 375 CA ASN A 24 -22.098 2.698 9.103 1.00 0.00 C ATOM 376 C ASN A 24 -21.682 4.120 9.518 1.00 0.00 C ATOM 377 O ASN A 24 -22.050 5.102 8.873 1.00 0.00 O ATOM 378 CB ASN A 24 -23.604 2.627 8.799 1.00 0.00 C ATOM 379 CG ASN A 24 -23.860 2.258 7.342 1.00 0.00 C ATOM 380 OD1 ASN A 24 -24.154 3.105 6.504 1.00 0.00 O ATOM 381 ND2 ASN A 24 -23.721 0.968 7.045 1.00 0.00 N ATOM 0 H ASN A 24 -21.519 2.170 11.010 1.00 0.00 H new ATOM 0 HA ASN A 24 -21.530 2.459 8.204 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -24.074 1.890 9.451 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -24.067 3.589 9.019 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -23.860 0.647 6.087 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -23.475 0.300 7.776 1.00 0.00 H new ATOM 388 N LYS A 25 -20.943 4.229 10.626 1.00 0.00 N ATOM 389 CA LYS A 25 -20.500 5.466 11.231 1.00 0.00 C ATOM 390 C LYS A 25 -19.125 5.822 10.666 1.00 0.00 C ATOM 391 O LYS A 25 -18.543 5.073 9.878 1.00 0.00 O ATOM 392 CB LYS A 25 -20.521 5.302 12.760 1.00 0.00 C ATOM 393 CG LYS A 25 -21.975 5.186 13.245 1.00 0.00 C ATOM 394 CD LYS A 25 -22.151 5.602 14.709 1.00 0.00 C ATOM 395 CE LYS A 25 -23.560 6.136 14.983 1.00 0.00 C ATOM 396 NZ LYS A 25 -24.630 5.210 14.565 1.00 0.00 N ATOM 0 H LYS A 25 -20.627 3.409 11.143 1.00 0.00 H new ATOM 0 HA LYS A 25 -21.162 6.299 10.995 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -19.959 4.414 13.049 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -20.036 6.155 13.234 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -22.613 5.808 12.617 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -22.313 4.157 13.122 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -21.954 4.747 15.356 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -21.417 6.368 14.960 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -23.662 6.340 16.049 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -23.688 7.085 14.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -25.412 5.252 15.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -24.978 5.484 13.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -24.255 4.241 14.527 1.00 0.00 H new ATOM 410 N PHE A 26 -18.606 6.982 11.061 1.00 0.00 N ATOM 411 CA PHE A 26 -17.271 7.439 10.717 1.00 0.00 C ATOM 412 C PHE A 26 -16.909 8.511 11.762 1.00 0.00 C ATOM 413 O PHE A 26 -17.807 9.115 12.368 1.00 0.00 O ATOM 414 CB PHE A 26 -17.229 7.989 9.277 1.00 0.00 C ATOM 415 CG PHE A 26 -17.767 9.394 9.214 1.00 0.00 C ATOM 416 CD1 PHE A 26 -19.121 9.618 9.505 1.00 0.00 C ATOM 417 CD2 PHE A 26 -16.872 10.473 9.147 1.00 0.00 C ATOM 418 CE1 PHE A 26 -19.553 10.905 9.830 1.00 0.00 C ATOM 419 CE2 PHE A 26 -17.317 11.767 9.441 1.00 0.00 C ATOM 420 CZ PHE A 26 -18.643 11.974 9.829 1.00 0.00 C ATOM 0 H PHE A 26 -19.119 7.644 11.644 1.00 0.00 H new ATOM 0 HA PHE A 26 -16.546 6.625 10.737 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -16.203 7.973 8.909 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -17.813 7.343 8.621 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -19.825 8.799 9.478 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -15.842 10.305 8.869 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -20.589 11.079 10.083 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -16.637 12.603 9.368 1.00 0.00 H new ATOM 0 HZ PHE A 26 -18.969 12.959 10.129 1.00 0.00 H new ATOM 430 N PRO A 27 -15.614 8.715 12.041 1.00 0.00 N ATOM 431 CA PRO A 27 -15.206 9.586 13.131 1.00 0.00 C ATOM 432 C PRO A 27 -15.338 11.067 12.783 1.00 0.00 C ATOM 433 O PRO A 27 -15.301 11.452 11.617 1.00 0.00 O ATOM 434 CB PRO A 27 -13.756 9.202 13.405 1.00 0.00 C ATOM 435 CG PRO A 27 -13.257 8.597 12.101 1.00 0.00 C ATOM 436 CD PRO A 27 -14.501 7.892 11.586 1.00 0.00 C ATOM 0 HA PRO A 27 -15.845 9.456 14.004 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -13.164 10.072 13.689 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -13.685 8.487 14.225 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -12.902 9.359 11.407 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -12.432 7.903 12.262 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -14.488 7.811 10.499 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -14.572 6.878 11.980 1.00 0.00 H new ATOM 444 N ALA A 28 -15.413 11.903 13.822 1.00 0.00 N ATOM 445 CA ALA A 28 -15.239 13.344 13.731 1.00 0.00 C ATOM 446 C ALA A 28 -14.447 13.855 14.938 1.00 0.00 C ATOM 447 O ALA A 28 -14.119 13.091 15.855 1.00 0.00 O ATOM 448 CB ALA A 28 -16.604 14.028 13.607 1.00 0.00 C ATOM 0 H ALA A 28 -15.602 11.582 14.772 1.00 0.00 H new ATOM 0 HA ALA A 28 -14.666 13.589 12.837 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -16.465 15.107 13.539 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -17.110 13.670 12.710 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -17.209 13.794 14.483 1.00 0.00 H new ATOM 454 N ILE A 29 -14.189 15.168 14.939 1.00 0.00 N ATOM 455 CA ILE A 29 -13.607 15.906 16.048 1.00 0.00 C ATOM 456 C ILE A 29 -14.403 17.177 16.300 1.00 0.00 C ATOM 457 O ILE A 29 -14.941 17.797 15.385 1.00 0.00 O ATOM 458 CB ILE A 29 -12.113 16.156 15.780 1.00 0.00 C ATOM 459 CG1 ILE A 29 -11.309 16.696 16.973 1.00 0.00 C ATOM 460 CG2 ILE A 29 -11.812 17.111 14.618 1.00 0.00 C ATOM 461 CD1 ILE A 29 -11.236 15.784 18.187 1.00 0.00 C ATOM 0 H ILE A 29 -14.390 15.761 14.134 1.00 0.00 H new ATOM 0 HA ILE A 29 -13.663 15.322 16.966 1.00 0.00 H new ATOM 0 HB ILE A 29 -11.798 15.141 15.539 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -10.293 16.906 16.638 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -11.745 17.646 17.281 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -10.733 17.223 14.509 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -12.230 16.706 13.696 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -12.259 18.084 14.822 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -10.645 16.264 18.968 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -12.242 15.593 18.559 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -10.768 14.841 17.906 1.00 0.00 H new ATOM 473 N ILE A 30 -14.424 17.561 17.573 1.00 0.00 N ATOM 474 CA ILE A 30 -15.027 18.790 18.082 1.00 0.00 C ATOM 475 C ILE A 30 -13.880 19.589 18.661 1.00 0.00 C ATOM 476 O ILE A 30 -13.595 19.558 19.859 1.00 0.00 O ATOM 477 CB ILE A 30 -16.228 18.551 19.027 1.00 0.00 C ATOM 478 CG1 ILE A 30 -17.427 18.175 18.149 1.00 0.00 C ATOM 479 CG2 ILE A 30 -16.569 19.776 19.891 1.00 0.00 C ATOM 480 CD1 ILE A 30 -18.667 17.740 18.933 1.00 0.00 C ATOM 0 H ILE A 30 -14.002 16.999 18.312 1.00 0.00 H new ATOM 0 HA ILE A 30 -15.511 19.364 17.291 1.00 0.00 H new ATOM 0 HB ILE A 30 -15.972 17.756 19.727 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -17.687 19.029 17.524 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -17.133 17.367 17.479 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -17.420 19.544 20.532 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -15.710 20.036 20.509 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -16.820 20.618 19.246 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -19.469 17.492 18.237 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -18.427 16.865 19.537 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -18.990 18.553 19.583 1.00 0.00 H new ATOM 492 N TYR A 31 -13.179 20.241 17.740 1.00 0.00 N ATOM 493 CA TYR A 31 -11.954 20.959 17.987 1.00 0.00 C ATOM 494 C TYR A 31 -12.252 22.431 18.225 1.00 0.00 C ATOM 495 O TYR A 31 -13.400 22.796 18.467 1.00 0.00 O ATOM 496 CB TYR A 31 -10.965 20.648 16.852 1.00 0.00 C ATOM 497 CG TYR A 31 -11.181 21.215 15.457 1.00 0.00 C ATOM 498 CD1 TYR A 31 -12.315 21.963 15.097 1.00 0.00 C ATOM 499 CD2 TYR A 31 -10.190 20.982 14.489 1.00 0.00 C ATOM 500 CE1 TYR A 31 -12.430 22.495 13.806 1.00 0.00 C ATOM 501 CE2 TYR A 31 -10.262 21.567 13.215 1.00 0.00 C ATOM 502 CZ TYR A 31 -11.387 22.345 12.869 1.00 0.00 C ATOM 503 OH TYR A 31 -11.525 22.887 11.628 1.00 0.00 O ATOM 0 H TYR A 31 -13.469 20.279 16.763 1.00 0.00 H new ATOM 0 HA TYR A 31 -11.464 20.633 18.904 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -9.981 20.979 17.184 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -10.920 19.563 16.754 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -13.101 22.128 15.819 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -9.356 20.340 14.730 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -13.328 23.026 13.525 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -9.462 21.423 12.504 1.00 0.00 H new ATOM 0 HH TYR A 31 -10.722 22.700 11.098 1.00 0.00 H new ATOM 574 N PRO A 37 -9.741 19.467 22.077 1.00 0.00 N ATOM 575 CA PRO A 37 -10.942 18.948 21.407 1.00 0.00 C ATOM 576 C PRO A 37 -11.721 17.821 22.103 1.00 0.00 C ATOM 577 O PRO A 37 -11.546 17.559 23.291 1.00 0.00 O ATOM 578 CB PRO A 37 -10.445 18.413 20.069 1.00 0.00 C ATOM 579 CG PRO A 37 -9.243 19.273 19.796 1.00 0.00 C ATOM 580 CD PRO A 37 -8.610 19.282 21.172 1.00 0.00 C ATOM 0 HA PRO A 37 -11.657 19.770 21.372 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -10.182 17.357 20.127 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -11.199 18.511 19.288 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -8.587 18.845 19.038 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -9.514 20.272 19.455 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -8.083 18.350 21.376 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -7.882 20.087 21.272 1.00 0.00 H new ATOM 588 N LEU A 38 -12.625 17.184 21.332 1.00 0.00 N ATOM 589 CA LEU A 38 -13.498 16.097 21.760 1.00 0.00 C ATOM 590 C LEU A 38 -13.898 15.268 20.535 1.00 0.00 C ATOM 591 O LEU A 38 -14.718 15.702 19.733 1.00 0.00 O ATOM 592 CB LEU A 38 -14.747 16.685 22.429 1.00 0.00 C ATOM 593 CG LEU A 38 -15.728 15.601 22.930 1.00 0.00 C ATOM 594 CD1 LEU A 38 -15.515 15.394 24.430 1.00 0.00 C ATOM 595 CD2 LEU A 38 -17.160 16.047 22.641 1.00 0.00 C ATOM 0 H LEU A 38 -12.765 17.432 20.352 1.00 0.00 H new ATOM 0 HA LEU A 38 -12.979 15.458 22.475 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -14.443 17.309 23.269 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -15.261 17.334 21.720 1.00 0.00 H new ATOM 0 HG LEU A 38 -15.548 14.657 22.416 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -16.203 14.631 24.793 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -14.489 15.074 24.611 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -15.701 16.330 24.957 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -17.856 15.286 22.993 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -17.359 16.987 23.156 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -17.288 16.188 21.568 1.00 0.00 H new ATOM 607 N ALA A 39 -13.319 14.080 20.364 1.00 0.00 N ATOM 608 CA ALA A 39 -13.703 13.195 19.272 1.00 0.00 C ATOM 609 C ALA A 39 -15.075 12.565 19.555 1.00 0.00 C ATOM 610 O ALA A 39 -15.331 12.161 20.691 1.00 0.00 O ATOM 611 CB ALA A 39 -12.628 12.129 19.125 1.00 0.00 C ATOM 0 H ALA A 39 -12.584 13.711 20.968 1.00 0.00 H new ATOM 0 HA ALA A 39 -13.789 13.755 18.341 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -12.894 11.454 18.312 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -11.672 12.604 18.904 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -12.546 11.564 20.054 1.00 0.00 H new ATOM 617 N ILE A 40 -15.948 12.451 18.541 1.00 0.00 N ATOM 618 CA ILE A 40 -17.279 11.897 18.636 1.00 0.00 C ATOM 619 C ILE A 40 -17.471 10.950 17.439 1.00 0.00 C ATOM 620 O ILE A 40 -17.016 11.219 16.326 1.00 0.00 O ATOM 621 CB ILE A 40 -18.321 13.041 18.664 1.00 0.00 C ATOM 622 CG1 ILE A 40 -18.435 13.896 17.382 1.00 0.00 C ATOM 623 CG2 ILE A 40 -18.164 13.907 19.924 1.00 0.00 C ATOM 624 CD1 ILE A 40 -17.264 14.831 17.093 1.00 0.00 C ATOM 0 H ILE A 40 -15.720 12.761 17.596 1.00 0.00 H new ATOM 0 HA ILE A 40 -17.416 11.331 19.557 1.00 0.00 H new ATOM 0 HB ILE A 40 -19.280 12.525 18.702 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -18.556 13.225 16.532 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -19.344 14.494 17.448 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -18.910 14.702 19.915 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -18.304 13.288 20.810 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -17.166 14.346 19.942 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -17.455 15.379 16.170 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -17.149 15.536 17.916 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -16.350 14.247 16.986 1.00 0.00 H new ATOM 636 N GLU A 41 -18.141 9.830 17.696 1.00 0.00 N ATOM 637 CA GLU A 41 -18.582 8.812 16.760 1.00 0.00 C ATOM 638 C GLU A 41 -20.006 9.143 16.303 1.00 0.00 C ATOM 639 O GLU A 41 -20.913 9.141 17.133 1.00 0.00 O ATOM 640 CB GLU A 41 -18.469 7.452 17.491 1.00 0.00 C ATOM 641 CG GLU A 41 -19.320 6.305 16.911 1.00 0.00 C ATOM 642 CD GLU A 41 -18.878 4.892 17.327 1.00 0.00 C ATOM 643 OE1 GLU A 41 -17.941 4.757 18.149 1.00 0.00 O ATOM 644 OE2 GLU A 41 -19.470 3.943 16.764 1.00 0.00 O ATOM 0 H GLU A 41 -18.411 9.595 18.651 1.00 0.00 H new ATOM 0 HA GLU A 41 -17.972 8.769 15.857 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -17.424 7.143 17.484 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -18.751 7.597 18.534 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -20.356 6.450 17.218 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -19.298 6.371 15.823 1.00 0.00 H new ATOM 651 N LEU A 42 -20.211 9.439 15.006 1.00 0.00 N ATOM 652 CA LEU A 42 -21.530 9.796 14.468 1.00 0.00 C ATOM 653 C LEU A 42 -21.849 9.051 13.178 1.00 0.00 C ATOM 654 O LEU A 42 -20.976 8.451 12.551 1.00 0.00 O ATOM 655 CB LEU A 42 -21.696 11.317 14.269 1.00 0.00 C ATOM 656 CG LEU A 42 -20.953 11.931 13.066 1.00 0.00 C ATOM 657 CD1 LEU A 42 -21.510 13.308 12.764 1.00 0.00 C ATOM 658 CD2 LEU A 42 -19.458 12.102 13.323 1.00 0.00 C ATOM 0 H LEU A 42 -19.468 9.437 14.307 1.00 0.00 H new ATOM 0 HA LEU A 42 -22.250 9.482 15.223 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -22.759 11.535 14.163 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -21.357 11.820 15.174 1.00 0.00 H new ATOM 0 HG LEU A 42 -21.097 11.241 12.235 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -20.980 13.736 11.913 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -22.571 13.228 12.528 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -21.380 13.952 13.634 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -18.985 12.538 12.443 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -19.309 12.760 14.179 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -19.011 11.130 13.531 1.00 0.00 H new ATOM 670 N ASP A 43 -23.124 9.127 12.779 1.00 0.00 N ATOM 671 CA ASP A 43 -23.627 8.486 11.580 1.00 0.00 C ATOM 672 C ASP A 43 -23.202 9.265 10.345 1.00 0.00 C ATOM 673 O ASP A 43 -23.404 10.481 10.277 1.00 0.00 O ATOM 674 CB ASP A 43 -25.153 8.343 11.625 1.00 0.00 C ATOM 675 CG ASP A 43 -25.526 6.947 11.139 1.00 0.00 C ATOM 676 OD1 ASP A 43 -25.511 6.028 11.991 1.00 0.00 O ATOM 677 OD2 ASP A 43 -25.755 6.822 9.917 1.00 0.00 O ATOM 0 H ASP A 43 -23.837 9.645 13.293 1.00 0.00 H new ATOM 0 HA ASP A 43 -23.198 7.485 11.528 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -25.518 8.500 12.640 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -25.622 9.100 10.997 1.00 0.00 H new ATOM 682 N HIS A 44 -22.650 8.544 9.364 1.00 0.00 N ATOM 683 CA HIS A 44 -22.305 9.104 8.072 1.00 0.00 C ATOM 684 C HIS A 44 -23.557 9.562 7.339 1.00 0.00 C ATOM 685 O HIS A 44 -23.579 10.687 6.857 1.00 0.00 O ATOM 686 CB HIS A 44 -21.578 8.057 7.223 1.00 0.00 C ATOM 687 CG HIS A 44 -21.328 8.563 5.827 1.00 0.00 C ATOM 688 ND1 HIS A 44 -22.189 8.446 4.757 1.00 0.00 N ATOM 689 CD2 HIS A 44 -20.306 9.391 5.457 1.00 0.00 C ATOM 690 CE1 HIS A 44 -21.685 9.194 3.762 1.00 0.00 C ATOM 691 NE2 HIS A 44 -20.546 9.792 4.141 1.00 0.00 N ATOM 0 H HIS A 44 -22.433 7.551 9.453 1.00 0.00 H new ATOM 0 HA HIS A 44 -21.651 9.961 8.234 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -20.630 7.799 7.694 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -22.172 7.144 7.180 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -23.047 7.895 4.727 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -19.466 9.682 6.070 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -22.137 9.300 2.787 1.00 0.00 H new ATOM 699 N ASP A 45 -24.569 8.694 7.214 1.00 0.00 N ATOM 700 CA ASP A 45 -25.743 8.966 6.388 1.00 0.00 C ATOM 701 C ASP A 45 -26.501 10.201 6.877 1.00 0.00 C ATOM 702 O ASP A 45 -26.995 10.990 6.067 1.00 0.00 O ATOM 703 CB ASP A 45 -26.662 7.742 6.391 1.00 0.00 C ATOM 704 CG ASP A 45 -27.761 7.882 5.338 1.00 0.00 C ATOM 705 OD1 ASP A 45 -27.408 7.790 4.141 1.00 0.00 O ATOM 706 OD2 ASP A 45 -28.926 8.084 5.744 1.00 0.00 O ATOM 0 H ASP A 45 -24.593 7.788 7.682 1.00 0.00 H new ATOM 0 HA ASP A 45 -25.408 9.170 5.371 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -26.078 6.843 6.195 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -27.111 7.622 7.377 1.00 0.00 H new ATOM 711 N LYS A 46 -26.516 10.395 8.204 1.00 0.00 N ATOM 712 CA LYS A 46 -27.003 11.609 8.833 1.00 0.00 C ATOM 713 C LYS A 46 -26.121 12.768 8.373 1.00 0.00 C ATOM 714 O LYS A 46 -26.573 13.546 7.534 1.00 0.00 O ATOM 715 CB LYS A 46 -27.030 11.426 10.361 1.00 0.00 C ATOM 716 CG LYS A 46 -27.642 12.644 11.062 1.00 0.00 C ATOM 717 CD LYS A 46 -27.383 12.683 12.572 1.00 0.00 C ATOM 718 CE LYS A 46 -27.874 11.457 13.334 1.00 0.00 C ATOM 719 NZ LYS A 46 -29.346 11.369 13.396 1.00 0.00 N ATOM 0 H LYS A 46 -26.184 9.698 8.870 1.00 0.00 H new ATOM 0 HA LYS A 46 -28.028 11.834 8.537 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -27.604 10.534 10.612 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -26.016 11.266 10.727 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -27.241 13.551 10.610 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -28.718 12.650 10.887 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -26.312 12.794 12.740 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -27.864 13.569 12.987 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -27.481 10.559 12.858 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -27.474 11.481 14.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -29.637 10.372 13.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -29.681 11.775 14.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -29.759 11.898 12.601 1.00 0.00 H new ATOM 733 N VAL A 47 -24.886 12.896 8.894 1.00 0.00 N ATOM 734 CA VAL A 47 -24.068 14.083 8.671 1.00 0.00 C ATOM 735 C VAL A 47 -23.839 14.419 7.194 1.00 0.00 C ATOM 736 O VAL A 47 -23.622 15.574 6.848 1.00 0.00 O ATOM 737 CB VAL A 47 -22.749 13.958 9.407 1.00 0.00 C ATOM 738 CG1 VAL A 47 -21.767 13.047 8.712 1.00 0.00 C ATOM 739 CG2 VAL A 47 -22.121 15.335 9.622 1.00 0.00 C ATOM 0 H VAL A 47 -24.440 12.184 9.473 1.00 0.00 H new ATOM 0 HA VAL A 47 -24.636 14.921 9.074 1.00 0.00 H new ATOM 0 HB VAL A 47 -22.978 13.504 10.371 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -20.843 13.000 9.289 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -22.194 12.048 8.629 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -21.553 13.435 7.716 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -21.175 15.225 10.152 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -21.943 15.809 8.656 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -22.797 15.955 10.211 1.00 0.00 H new ATOM 749 N MET A 48 -23.900 13.408 6.331 1.00 0.00 N ATOM 750 CA MET A 48 -23.915 13.543 4.893 1.00 0.00 C ATOM 751 C MET A 48 -24.990 14.527 4.488 1.00 0.00 C ATOM 752 O MET A 48 -24.669 15.594 3.984 1.00 0.00 O ATOM 753 CB MET A 48 -24.038 12.189 4.185 1.00 0.00 C ATOM 754 CG MET A 48 -24.320 12.342 2.684 1.00 0.00 C ATOM 755 SD MET A 48 -23.371 13.562 1.718 1.00 0.00 S ATOM 756 CE MET A 48 -21.675 13.245 2.252 1.00 0.00 C ATOM 0 H MET A 48 -23.942 12.436 6.636 1.00 0.00 H new ATOM 0 HA MET A 48 -22.956 13.944 4.566 1.00 0.00 H new ATOM 0 HB2 MET A 48 -23.117 11.624 4.324 1.00 0.00 H new ATOM 0 HB3 MET A 48 -24.839 11.611 4.646 1.00 0.00 H new ATOM 0 HG2 MET A 48 -24.167 11.367 2.221 1.00 0.00 H new ATOM 0 HG3 MET A 48 -25.376 12.586 2.572 1.00 0.00 H new ATOM 0 HE1 MET A 48 -21.117 14.181 2.266 1.00 0.00 H new ATOM 0 HE2 MET A 48 -21.683 12.813 3.253 1.00 0.00 H new ATOM 0 HE3 MET A 48 -21.200 12.549 1.560 1.00 0.00 H new ATOM 766 N ASN A 49 -26.255 14.230 4.762 1.00 0.00 N ATOM 767 CA ASN A 49 -27.318 15.169 4.457 1.00 0.00 C ATOM 768 C ASN A 49 -27.179 16.506 5.183 1.00 0.00 C ATOM 769 O ASN A 49 -27.806 17.483 4.777 1.00 0.00 O ATOM 770 CB ASN A 49 -28.624 14.494 4.876 1.00 0.00 C ATOM 771 CG ASN A 49 -29.887 15.326 4.683 1.00 0.00 C ATOM 772 OD1 ASN A 49 -30.088 15.981 3.662 1.00 0.00 O ATOM 773 ND2 ASN A 49 -30.759 15.282 5.687 1.00 0.00 N ATOM 0 H ASN A 49 -26.563 13.357 5.189 1.00 0.00 H new ATOM 0 HA ASN A 49 -27.284 15.406 3.394 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -28.731 13.568 4.311 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -28.549 14.219 5.928 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -31.633 15.804 5.627 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -30.553 14.726 6.517 1.00 0.00 H new ATOM 780 N MET A 50 -26.359 16.574 6.234 1.00 0.00 N ATOM 781 CA MET A 50 -26.206 17.777 7.005 1.00 0.00 C ATOM 782 C MET A 50 -25.208 18.690 6.283 1.00 0.00 C ATOM 783 O MET A 50 -25.635 19.705 5.745 1.00 0.00 O ATOM 784 CB MET A 50 -25.801 17.404 8.427 1.00 0.00 C ATOM 785 CG MET A 50 -26.694 16.391 9.103 1.00 0.00 C ATOM 786 SD MET A 50 -28.376 16.909 9.481 1.00 0.00 S ATOM 787 CE MET A 50 -28.373 16.316 11.180 1.00 0.00 C ATOM 0 H MET A 50 -25.791 15.792 6.561 1.00 0.00 H new ATOM 0 HA MET A 50 -27.138 18.336 7.091 1.00 0.00 H new ATOM 0 HB2 MET A 50 -24.784 17.013 8.408 1.00 0.00 H new ATOM 0 HB3 MET A 50 -25.783 18.310 9.032 1.00 0.00 H new ATOM 0 HG2 MET A 50 -26.746 15.507 8.467 1.00 0.00 H new ATOM 0 HG3 MET A 50 -26.216 16.086 10.034 1.00 0.00 H new ATOM 0 HE1 MET A 50 -29.344 15.880 11.415 1.00 0.00 H new ATOM 0 HE2 MET A 50 -27.597 15.560 11.300 1.00 0.00 H new ATOM 0 HE3 MET A 50 -28.176 17.148 11.856 1.00 0.00 H new ATOM 797 N GLN A 51 -23.915 18.325 6.195 1.00 0.00 N ATOM 798 CA GLN A 51 -22.898 19.099 5.453 1.00 0.00 C ATOM 799 C GLN A 51 -23.198 19.234 3.963 1.00 0.00 C ATOM 800 O GLN A 51 -22.524 20.007 3.283 1.00 0.00 O ATOM 801 CB GLN A 51 -21.454 18.599 5.691 1.00 0.00 C ATOM 802 CG GLN A 51 -20.991 17.230 5.202 1.00 0.00 C ATOM 803 CD GLN A 51 -21.115 17.038 3.703 1.00 0.00 C ATOM 804 OE1 GLN A 51 -20.283 17.480 2.916 1.00 0.00 O ATOM 805 NE2 GLN A 51 -22.175 16.347 3.321 1.00 0.00 N ATOM 0 H GLN A 51 -23.544 17.484 6.637 1.00 0.00 H new ATOM 0 HA GLN A 51 -22.963 20.101 5.876 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -20.786 19.336 5.245 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -21.284 18.625 6.767 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -19.950 17.084 5.492 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -21.573 16.459 5.706 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -22.837 16.002 4.016 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -22.331 16.159 2.331 1.00 0.00 H new ATOM 814 N ALA A 52 -24.212 18.519 3.458 1.00 0.00 N ATOM 815 CA ALA A 52 -24.655 18.619 2.098 1.00 0.00 C ATOM 816 C ALA A 52 -25.260 20.000 1.815 1.00 0.00 C ATOM 817 O ALA A 52 -25.519 20.271 0.642 1.00 0.00 O ATOM 818 CB ALA A 52 -25.633 17.492 1.765 1.00 0.00 C ATOM 0 H ALA A 52 -24.745 17.847 4.010 1.00 0.00 H new ATOM 0 HA ALA A 52 -23.789 18.507 1.446 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -25.957 17.586 0.729 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -25.141 16.530 1.905 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -26.499 17.556 2.423 1.00 0.00 H new ATOM 824 N LYS A 53 -25.470 20.878 2.826 1.00 0.00 N ATOM 825 CA LYS A 53 -25.848 22.259 2.523 1.00 0.00 C ATOM 826 C LYS A 53 -24.963 23.238 3.273 1.00 0.00 C ATOM 827 O LYS A 53 -24.362 22.892 4.288 1.00 0.00 O ATOM 828 CB LYS A 53 -27.343 22.494 2.767 1.00 0.00 C ATOM 829 CG LYS A 53 -27.773 22.358 4.234 1.00 0.00 C ATOM 830 CD LYS A 53 -28.168 20.930 4.586 1.00 0.00 C ATOM 831 CE LYS A 53 -29.562 20.560 4.056 1.00 0.00 C ATOM 832 NZ LYS A 53 -29.592 19.206 3.466 1.00 0.00 N ATOM 0 H LYS A 53 -25.386 20.657 3.818 1.00 0.00 H new ATOM 0 HA LYS A 53 -25.683 22.439 1.461 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -27.604 23.492 2.415 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -27.913 21.785 2.166 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -26.957 22.678 4.882 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -28.614 23.024 4.428 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -27.431 20.240 4.175 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -28.150 20.807 5.669 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -30.285 20.616 4.870 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -29.869 21.289 3.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -30.575 18.870 3.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -29.189 19.236 2.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -29.033 18.557 4.057 1.00 0.00 H new ATOM 846 N ALA A 54 -24.899 24.475 2.769 1.00 0.00 N ATOM 847 CA ALA A 54 -23.991 25.470 3.311 1.00 0.00 C ATOM 848 C ALA A 54 -24.418 25.978 4.686 1.00 0.00 C ATOM 849 O ALA A 54 -23.574 26.390 5.479 1.00 0.00 O ATOM 850 CB ALA A 54 -23.868 26.640 2.332 1.00 0.00 C ATOM 0 H ALA A 54 -25.467 24.803 1.988 1.00 0.00 H new ATOM 0 HA ALA A 54 -23.023 24.987 3.443 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -23.186 27.386 2.740 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -23.482 26.278 1.379 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -24.849 27.090 2.178 1.00 0.00 H new ATOM 856 N GLU A 55 -25.716 25.881 4.981 1.00 0.00 N ATOM 857 CA GLU A 55 -26.332 26.164 6.259 1.00 0.00 C ATOM 858 C GLU A 55 -25.738 25.293 7.378 1.00 0.00 C ATOM 859 O GLU A 55 -25.844 25.642 8.545 1.00 0.00 O ATOM 860 CB GLU A 55 -27.846 25.922 6.127 1.00 0.00 C ATOM 861 CG GLU A 55 -28.515 26.733 5.002 1.00 0.00 C ATOM 862 CD GLU A 55 -29.976 26.316 4.814 1.00 0.00 C ATOM 863 OE1 GLU A 55 -30.181 25.219 4.245 1.00 0.00 O ATOM 864 OE2 GLU A 55 -30.863 27.093 5.229 1.00 0.00 O ATOM 0 H GLU A 55 -26.399 25.584 4.284 1.00 0.00 H new ATOM 0 HA GLU A 55 -26.138 27.202 6.531 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -28.020 24.861 5.948 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -28.327 26.169 7.074 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -28.465 27.796 5.237 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -27.969 26.586 4.070 1.00 0.00 H new ATOM 871 N PHE A 56 -25.085 24.173 7.051 1.00 0.00 N ATOM 872 CA PHE A 56 -24.427 23.326 8.032 1.00 0.00 C ATOM 873 C PHE A 56 -23.181 23.981 8.600 1.00 0.00 C ATOM 874 O PHE A 56 -22.964 24.015 9.809 1.00 0.00 O ATOM 875 CB PHE A 56 -24.011 22.043 7.329 1.00 0.00 C ATOM 876 CG PHE A 56 -23.224 21.033 8.136 1.00 0.00 C ATOM 877 CD1 PHE A 56 -23.919 20.035 8.823 1.00 0.00 C ATOM 878 CD2 PHE A 56 -21.818 20.981 8.076 1.00 0.00 C ATOM 879 CE1 PHE A 56 -23.233 18.944 9.384 1.00 0.00 C ATOM 880 CE2 PHE A 56 -21.130 19.910 8.677 1.00 0.00 C ATOM 881 CZ PHE A 56 -21.839 18.877 9.306 1.00 0.00 C ATOM 0 H PHE A 56 -25.002 23.833 6.093 1.00 0.00 H new ATOM 0 HA PHE A 56 -25.119 23.142 8.854 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -24.912 21.552 6.961 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -23.417 22.314 6.456 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -24.992 20.102 8.924 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -21.269 21.761 7.570 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -23.784 18.156 9.876 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -20.051 19.884 8.653 1.00 0.00 H new ATOM 0 HZ PHE A 56 -21.311 18.034 9.728 1.00 0.00 H new ATOM 891 N TYR A 57 -22.323 24.427 7.685 1.00 0.00 N ATOM 892 CA TYR A 57 -21.039 24.993 8.072 1.00 0.00 C ATOM 893 C TYR A 57 -21.186 26.446 8.526 1.00 0.00 C ATOM 894 O TYR A 57 -20.430 26.913 9.380 1.00 0.00 O ATOM 895 CB TYR A 57 -20.007 24.805 6.947 1.00 0.00 C ATOM 896 CG TYR A 57 -20.162 25.632 5.680 1.00 0.00 C ATOM 897 CD1 TYR A 57 -19.824 27.001 5.678 1.00 0.00 C ATOM 898 CD2 TYR A 57 -20.532 25.006 4.473 1.00 0.00 C ATOM 899 CE1 TYR A 57 -19.890 27.752 4.491 1.00 0.00 C ATOM 900 CE2 TYR A 57 -20.570 25.742 3.276 1.00 0.00 C ATOM 901 CZ TYR A 57 -20.262 27.121 3.281 1.00 0.00 C ATOM 902 OH TYR A 57 -20.315 27.832 2.118 1.00 0.00 O ATOM 0 H TYR A 57 -22.494 24.407 6.680 1.00 0.00 H new ATOM 0 HA TYR A 57 -20.659 24.450 8.938 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -19.021 25.014 7.362 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -20.015 23.753 6.661 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -19.512 27.477 6.596 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -20.787 23.957 4.468 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -19.658 28.807 4.503 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -20.835 25.252 2.351 1.00 0.00 H new ATOM 0 HH TYR A 57 -20.587 27.241 1.385 1.00 0.00 H new ATOM 912 N SER A 58 -22.184 27.142 7.974 1.00 0.00 N ATOM 913 CA SER A 58 -22.496 28.523 8.291 1.00 0.00 C ATOM 914 C SER A 58 -23.253 28.619 9.620 1.00 0.00 C ATOM 915 O SER A 58 -22.997 29.549 10.385 1.00 0.00 O ATOM 916 CB SER A 58 -23.306 29.118 7.130 1.00 0.00 C ATOM 917 OG SER A 58 -23.506 30.505 7.295 1.00 0.00 O ATOM 0 H SER A 58 -22.810 26.741 7.275 1.00 0.00 H new ATOM 0 HA SER A 58 -21.576 29.095 8.413 1.00 0.00 H new ATOM 0 HB2 SER A 58 -22.785 28.934 6.190 1.00 0.00 H new ATOM 0 HB3 SER A 58 -24.271 28.616 7.064 1.00 0.00 H new ATOM 0 HG SER A 58 -24.023 30.853 6.539 1.00 0.00 H new ATOM 923 N GLU A 59 -24.153 27.664 9.912 1.00 0.00 N ATOM 924 CA GLU A 59 -25.107 27.759 11.007 1.00 0.00 C ATOM 925 C GLU A 59 -24.909 26.538 11.908 1.00 0.00 C ATOM 926 O GLU A 59 -24.895 25.403 11.437 1.00 0.00 O ATOM 927 CB GLU A 59 -26.566 27.890 10.511 1.00 0.00 C ATOM 928 CG GLU A 59 -26.804 28.542 9.128 1.00 0.00 C ATOM 929 CD GLU A 59 -27.946 29.558 9.174 1.00 0.00 C ATOM 930 OE1 GLU A 59 -29.112 29.106 9.219 1.00 0.00 O ATOM 931 OE2 GLU A 59 -27.638 30.770 9.186 1.00 0.00 O ATOM 0 H GLU A 59 -24.231 26.797 9.381 1.00 0.00 H new ATOM 0 HA GLU A 59 -24.921 28.671 11.574 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -27.003 26.892 10.490 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -27.121 28.465 11.252 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -25.891 29.035 8.796 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -27.034 27.769 8.395 1.00 0.00 H new ATOM 938 N VAL A 60 -24.715 26.792 13.204 1.00 0.00 N ATOM 939 CA VAL A 60 -24.295 25.817 14.207 1.00 0.00 C ATOM 940 C VAL A 60 -25.164 24.553 14.231 1.00 0.00 C ATOM 941 O VAL A 60 -26.372 24.596 13.995 1.00 0.00 O ATOM 942 CB VAL A 60 -24.220 26.535 15.572 1.00 0.00 C ATOM 943 CG1 VAL A 60 -25.566 27.130 16.024 1.00 0.00 C ATOM 944 CG2 VAL A 60 -23.671 25.648 16.674 1.00 0.00 C ATOM 0 H VAL A 60 -24.853 27.723 13.598 1.00 0.00 H new ATOM 0 HA VAL A 60 -23.307 25.438 13.946 1.00 0.00 H new ATOM 0 HB VAL A 60 -23.524 27.357 15.404 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -25.441 27.619 16.990 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -25.907 27.859 15.289 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -26.304 26.333 16.114 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -23.642 26.206 17.610 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -24.313 24.775 16.792 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -22.663 25.325 16.413 1.00 0.00 H new ATOM 954 N LEU A 61 -24.524 23.427 14.574 1.00 0.00 N ATOM 955 CA LEU A 61 -25.130 22.109 14.672 1.00 0.00 C ATOM 956 C LEU A 61 -25.076 21.654 16.141 1.00 0.00 C ATOM 957 O LEU A 61 -24.184 22.094 16.867 1.00 0.00 O ATOM 958 CB LEU A 61 -24.314 21.138 13.812 1.00 0.00 C ATOM 959 CG LEU A 61 -23.881 21.594 12.396 1.00 0.00 C ATOM 960 CD1 LEU A 61 -22.873 20.583 11.859 1.00 0.00 C ATOM 961 CD2 LEU A 61 -24.984 21.750 11.336 1.00 0.00 C ATOM 0 H LEU A 61 -23.529 23.418 14.798 1.00 0.00 H new ATOM 0 HA LEU A 61 -26.164 22.133 14.329 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -23.413 20.879 14.368 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -24.895 20.222 13.703 1.00 0.00 H new ATOM 0 HG LEU A 61 -23.486 22.599 12.546 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -22.553 20.883 10.861 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -22.008 20.545 12.521 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -23.337 19.598 11.810 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -24.541 22.073 10.394 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -25.487 20.794 11.191 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -25.708 22.493 11.671 1.00 0.00 H new ATOM 973 N THR A 62 -25.970 20.749 16.580 1.00 0.00 N ATOM 974 CA THR A 62 -25.998 20.285 17.969 1.00 0.00 C ATOM 975 C THR A 62 -25.598 18.808 18.036 1.00 0.00 C ATOM 976 O THR A 62 -26.421 17.931 17.799 1.00 0.00 O ATOM 977 CB THR A 62 -27.377 20.522 18.600 1.00 0.00 C ATOM 978 OG1 THR A 62 -27.853 21.828 18.346 1.00 0.00 O ATOM 979 CG2 THR A 62 -27.332 20.305 20.109 1.00 0.00 C ATOM 0 H THR A 62 -26.683 20.326 15.986 1.00 0.00 H new ATOM 0 HA THR A 62 -25.275 20.862 18.546 1.00 0.00 H new ATOM 0 HB THR A 62 -28.055 19.802 18.143 1.00 0.00 H new ATOM 0 HG1 THR A 62 -28.733 21.942 18.761 1.00 0.00 H new ATOM 0 HG21 THR A 62 -28.322 20.479 20.531 1.00 0.00 H new ATOM 0 HG22 THR A 62 -27.022 19.281 20.320 1.00 0.00 H new ATOM 0 HG23 THR A 62 -26.620 20.999 20.555 1.00 0.00 H new ATOM 987 N ILE A 63 -24.339 18.501 18.339 1.00 0.00 N ATOM 988 CA ILE A 63 -23.904 17.123 18.468 1.00 0.00 C ATOM 989 C ILE A 63 -24.439 16.556 19.780 1.00 0.00 C ATOM 990 O ILE A 63 -24.006 16.972 20.849 1.00 0.00 O ATOM 991 CB ILE A 63 -22.371 16.986 18.423 1.00 0.00 C ATOM 992 CG1 ILE A 63 -21.626 17.898 17.444 1.00 0.00 C ATOM 993 CG2 ILE A 63 -21.996 15.528 18.167 1.00 0.00 C ATOM 994 CD1 ILE A 63 -22.136 18.022 16.024 1.00 0.00 C ATOM 0 H ILE A 63 -23.606 19.192 18.499 1.00 0.00 H new ATOM 0 HA ILE A 63 -24.299 16.563 17.620 1.00 0.00 H new ATOM 0 HB ILE A 63 -22.039 17.327 19.404 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -21.607 18.899 17.876 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -20.593 17.553 17.394 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -20.911 15.432 18.135 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -22.392 14.904 18.968 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -22.417 15.206 17.215 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -21.495 18.705 15.466 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -22.125 17.042 15.547 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -23.155 18.409 16.036 1.00 0.00 H new ATOM 1006 N VAL A 64 -25.376 15.612 19.704 1.00 0.00 N ATOM 1007 CA VAL A 64 -25.980 14.995 20.878 1.00 0.00 C ATOM 1008 C VAL A 64 -25.189 13.730 21.195 1.00 0.00 C ATOM 1009 O VAL A 64 -25.546 12.652 20.727 1.00 0.00 O ATOM 1010 CB VAL A 64 -27.487 14.775 20.675 1.00 0.00 C ATOM 1011 CG1 VAL A 64 -28.182 14.233 21.919 1.00 0.00 C ATOM 1012 CG2 VAL A 64 -28.151 16.107 20.351 1.00 0.00 C ATOM 0 H VAL A 64 -25.738 15.254 18.820 1.00 0.00 H new ATOM 0 HA VAL A 64 -25.923 15.649 21.748 1.00 0.00 H new ATOM 0 HB VAL A 64 -27.585 14.049 19.868 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -29.244 14.099 21.713 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -27.741 13.274 22.193 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -28.058 14.938 22.741 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -29.221 15.955 20.206 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -27.992 16.803 21.175 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -27.716 16.518 19.440 1.00 0.00 H new ATOM 1022 N VAL A 65 -24.087 13.883 21.941 1.00 0.00 N ATOM 1023 CA VAL A 65 -23.177 12.824 22.330 1.00 0.00 C ATOM 1024 C VAL A 65 -23.845 12.034 23.448 1.00 0.00 C ATOM 1025 O VAL A 65 -23.843 12.463 24.599 1.00 0.00 O ATOM 1026 CB VAL A 65 -21.770 13.366 22.673 1.00 0.00 C ATOM 1027 CG1 VAL A 65 -21.221 14.182 21.506 1.00 0.00 C ATOM 1028 CG2 VAL A 65 -21.658 14.245 23.920 1.00 0.00 C ATOM 0 H VAL A 65 -23.802 14.794 22.301 1.00 0.00 H new ATOM 0 HA VAL A 65 -22.988 12.144 21.499 1.00 0.00 H new ATOM 0 HB VAL A 65 -21.200 12.460 22.878 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -20.230 14.558 21.760 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -21.154 13.550 20.620 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -21.887 15.021 21.304 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -20.623 14.561 24.051 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -22.293 15.123 23.804 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -21.978 13.678 24.794 1.00 0.00 H new ATOM 1038 N ASP A 66 -24.478 10.906 23.104 1.00 0.00 N ATOM 1039 CA ASP A 66 -25.129 10.029 24.075 1.00 0.00 C ATOM 1040 C ASP A 66 -26.198 10.778 24.906 1.00 0.00 C ATOM 1041 O ASP A 66 -26.440 10.456 26.068 1.00 0.00 O ATOM 1042 CB ASP A 66 -24.017 9.338 24.891 1.00 0.00 C ATOM 1043 CG ASP A 66 -24.541 8.273 25.856 1.00 0.00 C ATOM 1044 OD1 ASP A 66 -25.135 7.290 25.366 1.00 0.00 O ATOM 1045 OD2 ASP A 66 -24.338 8.473 27.076 1.00 0.00 O ATOM 0 H ASP A 66 -24.551 10.578 22.141 1.00 0.00 H new ATOM 0 HA ASP A 66 -25.711 9.250 23.583 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -23.307 8.877 24.205 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -23.470 10.092 25.457 1.00 0.00 H new ATOM 1050 N GLY A 67 -26.816 11.817 24.318 1.00 0.00 N ATOM 1051 CA GLY A 67 -27.852 12.631 24.953 1.00 0.00 C ATOM 1052 C GLY A 67 -27.370 14.007 25.427 1.00 0.00 C ATOM 1053 O GLY A 67 -28.196 14.788 25.895 1.00 0.00 O ATOM 0 H GLY A 67 -26.600 12.116 23.367 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -28.672 12.769 24.248 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -28.254 12.086 25.807 1.00 0.00 H new ATOM 1057 N LYS A 68 -26.070 14.324 25.312 1.00 0.00 N ATOM 1058 CA LYS A 68 -25.501 15.603 25.727 1.00 0.00 C ATOM 1059 C LYS A 68 -25.291 16.475 24.508 1.00 0.00 C ATOM 1060 O LYS A 68 -24.638 16.051 23.569 1.00 0.00 O ATOM 1061 CB LYS A 68 -24.166 15.371 26.433 1.00 0.00 C ATOM 1062 CG LYS A 68 -24.386 14.892 27.868 1.00 0.00 C ATOM 1063 CD LYS A 68 -23.741 13.539 28.197 1.00 0.00 C ATOM 1064 CE LYS A 68 -24.612 12.379 27.702 1.00 0.00 C ATOM 1065 NZ LYS A 68 -23.991 11.074 27.990 1.00 0.00 N ATOM 0 H LYS A 68 -25.379 13.684 24.921 1.00 0.00 H new ATOM 0 HA LYS A 68 -26.185 16.099 26.416 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -23.583 14.632 25.884 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -23.587 16.294 26.438 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -23.992 15.643 28.552 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -25.458 14.823 28.054 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -22.755 13.481 27.736 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -23.595 13.454 29.274 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -25.591 12.430 28.178 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -24.774 12.477 26.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -24.440 10.340 27.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -22.975 11.117 27.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -24.119 10.843 28.996 1.00 0.00 H new ATOM 1079 N GLU A 69 -25.847 17.680 24.522 1.00 0.00 N ATOM 1080 CA GLU A 69 -26.092 18.481 23.333 1.00 0.00 C ATOM 1081 C GLU A 69 -25.028 19.576 23.180 1.00 0.00 C ATOM 1082 O GLU A 69 -24.994 20.513 23.977 1.00 0.00 O ATOM 1083 CB GLU A 69 -27.512 19.049 23.448 1.00 0.00 C ATOM 1084 CG GLU A 69 -28.562 17.961 23.719 1.00 0.00 C ATOM 1085 CD GLU A 69 -29.950 18.402 23.251 1.00 0.00 C ATOM 1086 OE1 GLU A 69 -30.218 18.247 22.038 1.00 0.00 O ATOM 1087 OE2 GLU A 69 -30.712 18.906 24.105 1.00 0.00 O ATOM 0 H GLU A 69 -26.147 18.137 25.383 1.00 0.00 H new ATOM 0 HA GLU A 69 -26.019 17.874 22.431 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -27.541 19.785 24.251 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -27.766 19.573 22.526 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -28.278 17.042 23.207 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -28.589 17.736 24.785 1.00 0.00 H new ATOM 1094 N ILE A 70 -24.137 19.440 22.184 1.00 0.00 N ATOM 1095 CA ILE A 70 -22.926 20.260 22.050 1.00 0.00 C ATOM 1096 C ILE A 70 -23.066 21.136 20.807 1.00 0.00 C ATOM 1097 O ILE A 70 -23.280 20.621 19.716 1.00 0.00 O ATOM 1098 CB ILE A 70 -21.658 19.368 21.984 1.00 0.00 C ATOM 1099 CG1 ILE A 70 -21.185 18.843 23.354 1.00 0.00 C ATOM 1100 CG2 ILE A 70 -20.484 20.133 21.374 1.00 0.00 C ATOM 1101 CD1 ILE A 70 -22.129 17.801 23.925 1.00 0.00 C ATOM 0 H ILE A 70 -24.241 18.749 21.441 1.00 0.00 H new ATOM 0 HA ILE A 70 -22.813 20.900 22.925 1.00 0.00 H new ATOM 0 HB ILE A 70 -21.956 18.519 21.369 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -20.189 18.412 23.252 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -21.101 19.676 24.052 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -19.607 19.486 21.339 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -20.742 20.450 20.364 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -20.264 21.009 21.984 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -21.754 17.461 24.890 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -23.119 18.238 24.054 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -22.193 16.954 23.242 1.00 0.00 H new ATOM 1113 N LYS A 71 -22.886 22.452 20.948 1.00 0.00 N ATOM 1114 CA LYS A 71 -22.946 23.382 19.837 1.00 0.00 C ATOM 1115 C LYS A 71 -21.596 23.469 19.166 1.00 0.00 C ATOM 1116 O LYS A 71 -20.604 23.761 19.829 1.00 0.00 O ATOM 1117 CB LYS A 71 -23.439 24.760 20.318 1.00 0.00 C ATOM 1118 CG LYS A 71 -24.963 24.883 20.469 1.00 0.00 C ATOM 1119 CD LYS A 71 -25.736 24.155 19.355 1.00 0.00 C ATOM 1120 CE LYS A 71 -26.989 24.859 18.853 1.00 0.00 C ATOM 1121 NZ LYS A 71 -28.137 24.674 19.761 1.00 0.00 N ATOM 0 H LYS A 71 -22.694 22.897 21.846 1.00 0.00 H new ATOM 0 HA LYS A 71 -23.662 23.020 19.099 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -22.974 24.981 21.279 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -23.095 25.519 19.615 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -25.261 24.477 21.436 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -25.239 25.937 20.467 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -25.064 24.004 18.511 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -26.018 23.167 19.719 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -26.785 25.924 18.741 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -27.246 24.478 17.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -28.881 25.362 19.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -28.511 23.709 19.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -27.829 24.820 20.744 1.00 0.00 H new ATOM 1135 N VAL A 72 -21.577 23.211 17.847 1.00 0.00 N ATOM 1136 CA VAL A 72 -20.381 23.294 17.018 1.00 0.00 C ATOM 1137 C VAL A 72 -20.679 23.667 15.568 1.00 0.00 C ATOM 1138 O VAL A 72 -21.786 23.447 15.088 1.00 0.00 O ATOM 1139 CB VAL A 72 -19.603 21.977 17.054 1.00 0.00 C ATOM 1140 CG1 VAL A 72 -19.154 21.593 18.440 1.00 0.00 C ATOM 1141 CG2 VAL A 72 -20.436 20.834 16.480 1.00 0.00 C ATOM 0 H VAL A 72 -22.410 22.935 17.327 1.00 0.00 H new ATOM 0 HA VAL A 72 -19.777 24.095 17.444 1.00 0.00 H new ATOM 0 HB VAL A 72 -18.716 22.145 16.443 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -18.608 20.650 18.398 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -18.504 22.371 18.840 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -20.025 21.479 19.086 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -19.860 19.909 16.517 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -21.347 20.718 17.067 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -20.697 21.058 15.446 1.00 0.00 H new ATOM 1151 N LYS A 73 -19.671 24.172 14.847 1.00 0.00 N ATOM 1152 CA LYS A 73 -19.805 24.601 13.453 1.00 0.00 C ATOM 1153 C LYS A 73 -18.686 24.013 12.633 1.00 0.00 C ATOM 1154 O LYS A 73 -17.523 24.108 13.011 1.00 0.00 O ATOM 1155 CB LYS A 73 -19.702 26.115 13.326 1.00 0.00 C ATOM 1156 CG LYS A 73 -20.908 26.794 13.964 1.00 0.00 C ATOM 1157 CD LYS A 73 -20.604 28.187 14.489 1.00 0.00 C ATOM 1158 CE LYS A 73 -20.599 29.280 13.406 1.00 0.00 C ATOM 1159 NZ LYS A 73 -19.486 29.151 12.441 1.00 0.00 N ATOM 0 H LYS A 73 -18.730 24.295 15.221 1.00 0.00 H new ATOM 0 HA LYS A 73 -20.781 24.264 13.102 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -18.787 26.463 13.805 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -19.637 26.393 12.274 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -21.711 26.857 13.230 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -21.273 26.176 14.784 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -21.342 28.446 15.248 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -19.631 28.174 14.981 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -21.544 29.248 12.864 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -20.541 30.256 13.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -19.287 30.078 12.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -18.637 28.807 12.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -19.750 28.476 11.695 1.00 0.00 H new ATOM 1173 N ALA A 74 -19.055 23.443 11.495 1.00 0.00 N ATOM 1174 CA ALA A 74 -18.119 22.767 10.627 1.00 0.00 C ATOM 1175 C ALA A 74 -17.141 23.756 10.011 1.00 0.00 C ATOM 1176 O ALA A 74 -17.548 24.801 9.504 1.00 0.00 O ATOM 1177 CB ALA A 74 -18.897 22.028 9.557 1.00 0.00 C ATOM 0 H ALA A 74 -20.016 23.440 11.152 1.00 0.00 H new ATOM 0 HA ALA A 74 -17.532 22.053 11.205 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -18.203 21.512 8.893 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -19.559 21.300 10.026 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -19.489 22.739 8.981 1.00 0.00 H new ATOM 1183 N GLN A 75 -15.858 23.395 10.056 1.00 0.00 N ATOM 1184 CA GLN A 75 -14.759 24.224 9.582 1.00 0.00 C ATOM 1185 C GLN A 75 -13.787 23.449 8.682 1.00 0.00 C ATOM 1186 O GLN A 75 -13.057 24.072 7.913 1.00 0.00 O ATOM 1187 CB GLN A 75 -14.032 24.815 10.792 1.00 0.00 C ATOM 1188 CG GLN A 75 -14.772 25.993 11.453 1.00 0.00 C ATOM 1189 CD GLN A 75 -14.966 27.222 10.576 1.00 0.00 C ATOM 1190 OE1 GLN A 75 -16.081 27.711 10.411 1.00 0.00 O ATOM 1191 NE2 GLN A 75 -13.867 27.768 10.067 1.00 0.00 N ATOM 0 H GLN A 75 -15.552 22.498 10.432 1.00 0.00 H new ATOM 0 HA GLN A 75 -15.170 25.024 8.966 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -13.884 24.030 11.534 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -13.042 25.150 10.481 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -15.751 25.645 11.782 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -14.222 26.289 12.346 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -12.959 27.331 10.227 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -13.931 28.624 9.516 1.00 0.00 H new ATOM 1200 N ASP A 76 -13.806 22.110 8.738 1.00 0.00 N ATOM 1201 CA ASP A 76 -13.068 21.224 7.846 1.00 0.00 C ATOM 1202 C ASP A 76 -13.861 19.917 7.752 1.00 0.00 C ATOM 1203 O ASP A 76 -13.731 19.049 8.610 1.00 0.00 O ATOM 1204 CB ASP A 76 -11.617 21.032 8.350 1.00 0.00 C ATOM 1205 CG ASP A 76 -10.758 20.062 7.523 1.00 0.00 C ATOM 1206 OD1 ASP A 76 -11.207 19.655 6.427 1.00 0.00 O ATOM 1207 OD2 ASP A 76 -9.636 19.761 7.995 1.00 0.00 O ATOM 0 H ASP A 76 -14.356 21.603 9.431 1.00 0.00 H new ATOM 0 HA ASP A 76 -12.969 21.646 6.846 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -11.124 22.004 8.367 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -11.652 20.674 9.379 1.00 0.00 H new ATOM 1212 N VAL A 77 -14.721 19.785 6.731 1.00 0.00 N ATOM 1213 CA VAL A 77 -15.219 18.476 6.315 1.00 0.00 C ATOM 1214 C VAL A 77 -14.227 17.925 5.280 1.00 0.00 C ATOM 1215 O VAL A 77 -13.809 18.614 4.347 1.00 0.00 O ATOM 1216 CB VAL A 77 -16.677 18.499 5.790 1.00 0.00 C ATOM 1217 CG1 VAL A 77 -17.723 18.964 6.814 1.00 0.00 C ATOM 1218 CG2 VAL A 77 -16.842 19.374 4.562 1.00 0.00 C ATOM 0 H VAL A 77 -15.081 20.567 6.184 1.00 0.00 H new ATOM 0 HA VAL A 77 -15.274 17.818 7.182 1.00 0.00 H new ATOM 0 HB VAL A 77 -16.860 17.451 5.553 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -18.712 18.947 6.357 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -17.710 18.297 7.676 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -17.490 19.979 7.137 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -17.882 19.353 4.237 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -16.558 20.398 4.804 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -16.204 19.000 3.761 1.00 0.00 H new ATOM 1228 N GLN A 78 -13.900 16.647 5.438 1.00 0.00 N ATOM 1229 CA GLN A 78 -13.146 15.829 4.491 1.00 0.00 C ATOM 1230 C GLN A 78 -14.159 15.160 3.547 1.00 0.00 C ATOM 1231 O GLN A 78 -15.363 15.300 3.750 1.00 0.00 O ATOM 1232 CB GLN A 78 -12.271 14.828 5.275 1.00 0.00 C ATOM 1233 CG GLN A 78 -10.992 14.425 4.521 1.00 0.00 C ATOM 1234 CD GLN A 78 -10.065 13.555 5.376 1.00 0.00 C ATOM 1235 OE1 GLN A 78 -9.860 12.383 5.075 1.00 0.00 O ATOM 1236 NE2 GLN A 78 -9.491 14.117 6.439 1.00 0.00 N ATOM 0 H GLN A 78 -14.167 16.125 6.273 1.00 0.00 H new ATOM 0 HA GLN A 78 -12.462 16.418 3.881 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -11.997 15.268 6.234 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -12.856 13.934 5.490 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -11.262 13.883 3.615 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -10.459 15.323 4.208 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -9.681 15.094 6.664 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -8.862 13.571 7.027 1.00 0.00 H new ATOM 1245 N ARG A 79 -13.710 14.468 2.494 1.00 0.00 N ATOM 1246 CA ARG A 79 -14.574 13.922 1.439 1.00 0.00 C ATOM 1247 C ARG A 79 -13.975 12.622 0.901 1.00 0.00 C ATOM 1248 O ARG A 79 -12.782 12.378 1.087 1.00 0.00 O ATOM 1249 CB ARG A 79 -14.667 14.949 0.284 1.00 0.00 C ATOM 1250 CG ARG A 79 -16.086 15.442 -0.051 1.00 0.00 C ATOM 1251 CD ARG A 79 -16.763 16.292 1.038 1.00 0.00 C ATOM 1252 NE ARG A 79 -15.878 17.325 1.604 1.00 0.00 N ATOM 1253 CZ ARG A 79 -15.455 18.455 1.011 1.00 0.00 C ATOM 1254 NH1 ARG A 79 -15.897 18.804 -0.203 1.00 0.00 N ATOM 1255 NH2 ARG A 79 -14.574 19.241 1.638 1.00 0.00 N ATOM 0 H ARG A 79 -12.721 14.268 2.348 1.00 0.00 H new ATOM 0 HA ARG A 79 -15.565 13.723 1.848 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -14.052 15.812 0.538 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -14.235 14.502 -0.612 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -16.042 16.027 -0.970 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -16.715 14.575 -0.255 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -17.647 16.771 0.618 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -17.105 15.638 1.840 1.00 0.00 H new ATOM 0 HE ARG A 79 -15.548 17.164 2.556 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -16.565 18.209 -0.693 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -15.566 19.665 -0.638 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -14.226 18.982 2.561 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -14.249 20.100 1.193 1.00 0.00 H new ATOM 1269 N HIS A 80 -14.776 11.838 0.164 1.00 0.00 N ATOM 1270 CA HIS A 80 -14.206 10.842 -0.755 1.00 0.00 C ATOM 1271 C HIS A 80 -13.958 11.479 -2.142 1.00 0.00 C ATOM 1272 O HIS A 80 -14.493 12.552 -2.426 1.00 0.00 O ATOM 1273 CB HIS A 80 -15.113 9.606 -0.837 1.00 0.00 C ATOM 1274 CG HIS A 80 -14.459 8.293 -0.479 1.00 0.00 C ATOM 1275 ND1 HIS A 80 -13.563 8.064 0.538 1.00 0.00 N ATOM 1276 CD2 HIS A 80 -14.654 7.104 -1.127 1.00 0.00 C ATOM 1277 CE1 HIS A 80 -13.244 6.757 0.511 1.00 0.00 C ATOM 1278 NE2 HIS A 80 -13.885 6.132 -0.490 1.00 0.00 N ATOM 0 H HIS A 80 -15.795 11.871 0.184 1.00 0.00 H new ATOM 0 HA HIS A 80 -13.242 10.507 -0.372 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -15.966 9.759 -0.176 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -15.505 9.532 -1.851 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -15.293 6.946 -1.983 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -12.565 6.276 1.200 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -13.822 5.144 -0.735 1.00 0.00 H new ATOM 1286 N PRO A 81 -13.157 10.843 -3.020 1.00 0.00 N ATOM 1287 CA PRO A 81 -12.758 11.408 -4.309 1.00 0.00 C ATOM 1288 C PRO A 81 -13.748 11.106 -5.449 1.00 0.00 C ATOM 1289 O PRO A 81 -13.672 11.749 -6.494 1.00 0.00 O ATOM 1290 CB PRO A 81 -11.400 10.760 -4.593 1.00 0.00 C ATOM 1291 CG PRO A 81 -11.555 9.359 -4.001 1.00 0.00 C ATOM 1292 CD PRO A 81 -12.463 9.584 -2.790 1.00 0.00 C ATOM 0 HA PRO A 81 -12.727 12.496 -4.261 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -11.185 10.725 -5.661 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -10.585 11.309 -4.122 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -12.002 8.668 -4.716 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -10.593 8.937 -3.709 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -13.173 8.764 -2.680 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -11.879 9.625 -1.870 1.00 0.00 H new ATOM 1300 N TYR A 82 -14.652 10.130 -5.266 1.00 0.00 N ATOM 1301 CA TYR A 82 -15.520 9.580 -6.314 1.00 0.00 C ATOM 1302 C TYR A 82 -16.984 9.427 -5.853 1.00 0.00 C ATOM 1303 O TYR A 82 -17.869 9.119 -6.648 1.00 0.00 O ATOM 1304 CB TYR A 82 -14.915 8.242 -6.768 1.00 0.00 C ATOM 1305 CG TYR A 82 -15.434 7.727 -8.096 1.00 0.00 C ATOM 1306 CD1 TYR A 82 -14.902 8.237 -9.296 1.00 0.00 C ATOM 1307 CD2 TYR A 82 -16.433 6.735 -8.138 1.00 0.00 C ATOM 1308 CE1 TYR A 82 -15.357 7.757 -10.536 1.00 0.00 C ATOM 1309 CE2 TYR A 82 -16.898 6.252 -9.373 1.00 0.00 C ATOM 1310 CZ TYR A 82 -16.358 6.758 -10.579 1.00 0.00 C ATOM 1311 OH TYR A 82 -16.804 6.279 -11.775 1.00 0.00 O ATOM 0 H TYR A 82 -14.802 9.691 -4.358 1.00 0.00 H new ATOM 0 HA TYR A 82 -15.562 10.275 -7.152 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -13.833 8.353 -6.835 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -15.111 7.492 -6.002 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -14.140 9.001 -9.263 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -16.843 6.344 -7.218 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -14.944 8.150 -11.453 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -17.667 5.495 -9.402 1.00 0.00 H new ATOM 0 HH TYR A 82 -17.491 5.597 -11.619 1.00 0.00 H new ATOM 1321 N LYS A 83 -17.238 9.669 -4.563 1.00 0.00 N ATOM 1322 CA LYS A 83 -18.530 9.862 -3.914 1.00 0.00 C ATOM 1323 C LYS A 83 -18.298 10.904 -2.808 1.00 0.00 C ATOM 1324 O LYS A 83 -17.145 11.172 -2.476 1.00 0.00 O ATOM 1325 CB LYS A 83 -19.118 8.529 -3.384 1.00 0.00 C ATOM 1326 CG LYS A 83 -18.160 7.514 -2.729 1.00 0.00 C ATOM 1327 CD LYS A 83 -17.517 6.502 -3.693 1.00 0.00 C ATOM 1328 CE LYS A 83 -18.545 5.636 -4.430 1.00 0.00 C ATOM 1329 NZ LYS A 83 -19.200 4.640 -3.560 1.00 0.00 N ATOM 0 H LYS A 83 -16.474 9.740 -3.891 1.00 0.00 H new ATOM 0 HA LYS A 83 -19.281 10.221 -4.618 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -19.891 8.774 -2.656 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -19.612 8.029 -4.217 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -17.366 8.063 -2.222 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -18.707 6.964 -1.963 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -16.913 7.039 -4.424 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -16.841 5.856 -3.134 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -19.306 6.282 -4.868 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -18.051 5.120 -5.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -19.883 4.088 -4.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -18.482 4.002 -3.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -19.698 5.127 -2.788 1.00 0.00 H new ATOM 1343 N PRO A 84 -19.332 11.501 -2.195 1.00 0.00 N ATOM 1344 CA PRO A 84 -19.122 12.504 -1.155 1.00 0.00 C ATOM 1345 C PRO A 84 -18.754 11.883 0.211 1.00 0.00 C ATOM 1346 O PRO A 84 -18.753 12.605 1.204 1.00 0.00 O ATOM 1347 CB PRO A 84 -20.427 13.305 -1.144 1.00 0.00 C ATOM 1348 CG PRO A 84 -21.479 12.254 -1.485 1.00 0.00 C ATOM 1349 CD PRO A 84 -20.753 11.371 -2.501 1.00 0.00 C ATOM 0 HA PRO A 84 -18.264 13.145 -1.358 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -20.612 13.761 -0.171 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -20.411 14.112 -1.876 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -21.788 11.690 -0.605 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -22.378 12.703 -1.908 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -21.077 10.334 -2.420 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -20.965 11.693 -3.521 1.00 0.00 H new ATOM 1357 N LYS A 85 -18.451 10.570 0.266 1.00 0.00 N ATOM 1358 CA LYS A 85 -18.301 9.738 1.462 1.00 0.00 C ATOM 1359 C LYS A 85 -17.301 10.338 2.461 1.00 0.00 C ATOM 1360 O LYS A 85 -16.087 10.209 2.308 1.00 0.00 O ATOM 1361 CB LYS A 85 -17.949 8.286 1.065 1.00 0.00 C ATOM 1362 CG LYS A 85 -19.181 7.382 0.932 1.00 0.00 C ATOM 1363 CD LYS A 85 -19.573 6.809 2.296 1.00 0.00 C ATOM 1364 CE LYS A 85 -20.856 5.977 2.228 1.00 0.00 C ATOM 1365 NZ LYS A 85 -21.230 5.445 3.558 1.00 0.00 N ATOM 0 H LYS A 85 -18.295 10.033 -0.587 1.00 0.00 H new ATOM 0 HA LYS A 85 -19.258 9.714 1.983 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -17.409 8.295 0.118 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -17.276 7.865 1.812 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -20.013 7.950 0.516 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -18.970 6.570 0.236 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -18.760 6.189 2.675 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -19.709 7.625 3.005 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -21.668 6.591 1.839 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -20.718 5.151 1.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -21.964 4.716 3.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -20.393 5.027 4.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -21.596 6.217 4.150 1.00 0.00 H new ATOM 1379 N LEU A 86 -17.845 11.002 3.480 1.00 0.00 N ATOM 1380 CA LEU A 86 -17.145 11.772 4.501 1.00 0.00 C ATOM 1381 C LEU A 86 -16.250 10.825 5.282 1.00 0.00 C ATOM 1382 O LEU A 86 -16.739 9.977 6.027 1.00 0.00 O ATOM 1383 CB LEU A 86 -18.138 12.495 5.439 1.00 0.00 C ATOM 1384 CG LEU A 86 -19.104 13.415 4.675 1.00 0.00 C ATOM 1385 CD1 LEU A 86 -20.390 13.725 5.428 1.00 0.00 C ATOM 1386 CD2 LEU A 86 -18.463 14.733 4.276 1.00 0.00 C ATOM 0 H LEU A 86 -18.855 11.016 3.621 1.00 0.00 H new ATOM 0 HA LEU A 86 -16.542 12.545 4.025 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -18.711 11.754 5.997 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -17.581 13.083 6.169 1.00 0.00 H new ATOM 0 HG LEU A 86 -19.355 12.838 3.785 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -21.017 14.379 4.823 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -20.924 12.797 5.633 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -20.150 14.221 6.369 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -19.190 15.343 3.740 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -18.134 15.263 5.170 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -17.605 14.540 3.632 1.00 0.00 H new ATOM 1398 N GLN A 87 -14.938 10.956 5.074 1.00 0.00 N ATOM 1399 CA GLN A 87 -13.950 10.217 5.843 1.00 0.00 C ATOM 1400 C GLN A 87 -13.797 10.812 7.240 1.00 0.00 C ATOM 1401 O GLN A 87 -13.407 10.086 8.152 1.00 0.00 O ATOM 1402 CB GLN A 87 -12.599 10.238 5.114 1.00 0.00 C ATOM 1403 CG GLN A 87 -12.643 9.589 3.723 1.00 0.00 C ATOM 1404 CD GLN A 87 -13.215 8.171 3.763 1.00 0.00 C ATOM 1405 OE1 GLN A 87 -12.502 7.211 4.031 1.00 0.00 O ATOM 1406 NE2 GLN A 87 -14.509 8.022 3.479 1.00 0.00 N ATOM 0 H GLN A 87 -14.538 11.576 4.370 1.00 0.00 H new ATOM 0 HA GLN A 87 -14.290 9.186 5.943 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -12.265 11.271 5.014 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -11.858 9.721 5.724 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -13.248 10.204 3.056 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -11.637 9.561 3.305 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -15.080 8.838 3.259 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -14.928 7.092 3.481 1.00 0.00 H new ATOM 1415 N HIS A 88 -14.116 12.106 7.406 1.00 0.00 N ATOM 1416 CA HIS A 88 -13.937 12.838 8.649 1.00 0.00 C ATOM 1417 C HIS A 88 -14.516 14.239 8.541 1.00 0.00 C ATOM 1418 O HIS A 88 -14.675 14.765 7.439 1.00 0.00 O ATOM 1419 CB HIS A 88 -12.451 12.943 8.980 1.00 0.00 C ATOM 1420 CG HIS A 88 -12.199 13.574 10.313 1.00 0.00 C ATOM 1421 ND1 HIS A 88 -11.591 14.781 10.535 1.00 0.00 N ATOM 1422 CD2 HIS A 88 -12.518 13.031 11.526 1.00 0.00 C ATOM 1423 CE1 HIS A 88 -11.509 14.930 11.863 1.00 0.00 C ATOM 1424 NE2 HIS A 88 -12.078 13.907 12.513 1.00 0.00 N ATOM 0 H HIS A 88 -14.513 12.675 6.658 1.00 0.00 H new ATOM 0 HA HIS A 88 -14.459 12.296 9.438 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -12.008 11.947 8.965 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -11.951 13.526 8.206 1.00 0.00 H new ATOM 0 HD1 HIS A 88 -11.264 15.438 9.827 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -13.022 12.090 11.689 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -11.041 15.772 12.350 1.00 0.00 H new ATOM 1432 N ILE A 89 -14.836 14.826 9.701 1.00 0.00 N ATOM 1433 CA ILE A 89 -15.394 16.158 9.842 1.00 0.00 C ATOM 1434 C ILE A 89 -14.860 16.762 11.142 1.00 0.00 C ATOM 1435 O ILE A 89 -14.611 16.057 12.119 1.00 0.00 O ATOM 1436 CB ILE A 89 -16.942 16.093 9.814 1.00 0.00 C ATOM 1437 CG1 ILE A 89 -17.438 15.456 8.495 1.00 0.00 C ATOM 1438 CG2 ILE A 89 -17.546 17.496 10.001 1.00 0.00 C ATOM 1439 CD1 ILE A 89 -18.927 15.172 8.444 1.00 0.00 C ATOM 0 H ILE A 89 -14.704 14.359 10.598 1.00 0.00 H new ATOM 0 HA ILE A 89 -15.094 16.797 9.011 1.00 0.00 H new ATOM 0 HB ILE A 89 -17.273 15.465 10.641 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -17.181 16.119 7.669 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -16.899 14.522 8.334 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -18.634 17.430 9.978 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -17.227 17.905 10.960 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -17.206 18.149 9.197 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -19.180 14.727 7.482 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -19.193 14.482 9.245 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -19.480 16.103 8.569 1.00 0.00 H new ATOM 1451 N ASP A 90 -14.738 18.088 11.146 1.00 0.00 N ATOM 1452 CA ASP A 90 -14.211 18.890 12.233 1.00 0.00 C ATOM 1453 C ASP A 90 -15.198 20.030 12.485 1.00 0.00 C ATOM 1454 O ASP A 90 -15.524 20.770 11.552 1.00 0.00 O ATOM 1455 CB ASP A 90 -12.860 19.502 11.860 1.00 0.00 C ATOM 1456 CG ASP A 90 -11.719 18.532 11.562 1.00 0.00 C ATOM 1457 OD1 ASP A 90 -11.841 17.706 10.632 1.00 0.00 O ATOM 1458 OD2 ASP A 90 -10.694 18.637 12.267 1.00 0.00 O ATOM 0 H ASP A 90 -15.021 18.655 10.347 1.00 0.00 H new ATOM 0 HA ASP A 90 -14.078 18.261 13.113 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -13.005 20.134 10.984 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -12.546 20.154 12.675 1.00 0.00 H new ATOM 1463 N PHE A 91 -15.653 20.193 13.734 1.00 0.00 N ATOM 1464 CA PHE A 91 -16.571 21.241 14.142 1.00 0.00 C ATOM 1465 C PHE A 91 -15.933 22.041 15.275 1.00 0.00 C ATOM 1466 O PHE A 91 -15.436 21.434 16.222 1.00 0.00 O ATOM 1467 CB PHE A 91 -17.890 20.607 14.612 1.00 0.00 C ATOM 1468 CG PHE A 91 -18.408 19.328 13.977 1.00 0.00 C ATOM 1469 CD1 PHE A 91 -18.052 18.091 14.540 1.00 0.00 C ATOM 1470 CD2 PHE A 91 -19.385 19.368 12.964 1.00 0.00 C ATOM 1471 CE1 PHE A 91 -18.669 16.909 14.109 1.00 0.00 C ATOM 1472 CE2 PHE A 91 -20.021 18.180 12.553 1.00 0.00 C ATOM 1473 CZ PHE A 91 -19.662 16.949 13.131 1.00 0.00 C ATOM 0 H PHE A 91 -15.380 19.579 14.501 1.00 0.00 H new ATOM 0 HA PHE A 91 -16.781 21.907 13.305 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -17.791 20.417 15.681 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -18.668 21.361 14.493 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -17.297 18.051 15.311 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -19.647 20.309 12.502 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -18.374 15.962 14.537 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -20.786 18.215 11.792 1.00 0.00 H new ATOM 0 HZ PHE A 91 -20.153 16.039 12.819 1.00 0.00 H new ATOM 1483 N VAL A 92 -15.940 23.381 15.211 1.00 0.00 N ATOM 1484 CA VAL A 92 -15.342 24.181 16.281 1.00 0.00 C ATOM 1485 C VAL A 92 -16.332 24.337 17.431 1.00 0.00 C ATOM 1486 O VAL A 92 -17.527 24.245 17.182 1.00 0.00 O ATOM 1487 CB VAL A 92 -14.847 25.548 15.798 1.00 0.00 C ATOM 1488 CG1 VAL A 92 -13.736 25.423 14.774 1.00 0.00 C ATOM 1489 CG2 VAL A 92 -15.912 26.459 15.194 1.00 0.00 C ATOM 0 H VAL A 92 -16.345 23.921 14.446 1.00 0.00 H new ATOM 0 HA VAL A 92 -14.461 23.644 16.632 1.00 0.00 H new ATOM 0 HB VAL A 92 -14.495 26.009 16.721 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -13.417 26.417 14.460 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -12.892 24.893 15.216 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -14.099 24.869 13.909 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -15.454 27.399 14.886 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -16.359 25.972 14.328 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -16.684 26.658 15.937 1.00 0.00 H new ATOM 1499 N ARG A 93 -15.865 24.614 18.658 1.00 0.00 N ATOM 1500 CA ARG A 93 -16.717 24.786 19.839 1.00 0.00 C ATOM 1501 C ARG A 93 -17.554 26.065 19.695 1.00 0.00 C ATOM 1502 O ARG A 93 -17.118 27.147 20.089 1.00 0.00 O ATOM 1503 CB ARG A 93 -15.871 24.854 21.127 1.00 0.00 C ATOM 1504 CG ARG A 93 -15.037 23.608 21.447 1.00 0.00 C ATOM 1505 CD ARG A 93 -15.793 22.478 22.141 1.00 0.00 C ATOM 1506 NE ARG A 93 -14.859 21.374 22.419 1.00 0.00 N ATOM 1507 CZ ARG A 93 -14.371 20.987 23.607 1.00 0.00 C ATOM 1508 NH1 ARG A 93 -14.679 21.619 24.745 1.00 0.00 N ATOM 1509 NH2 ARG A 93 -13.546 19.942 23.644 1.00 0.00 N ATOM 0 H ARG A 93 -14.871 24.726 18.858 1.00 0.00 H new ATOM 0 HA ARG A 93 -17.380 23.924 19.912 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -15.198 25.708 21.052 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -16.538 25.046 21.967 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -14.616 23.224 20.518 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -14.199 23.904 22.078 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -16.238 22.837 23.069 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -16.611 22.129 21.510 1.00 0.00 H new ATOM 0 HE ARG A 93 -14.545 20.838 21.610 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -15.305 22.424 24.728 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -14.288 21.295 25.630 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -13.299 19.456 22.782 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -13.161 19.627 24.535 1.00 0.00 H new ATOM 1523 N ALA A 94 -18.746 25.933 19.108 1.00 0.00 N ATOM 1524 CA ALA A 94 -19.722 27.019 19.019 1.00 0.00 C ATOM 1525 C ALA A 94 -20.330 27.364 20.383 1.00 0.00 C ATOM 1526 O ALA A 94 -20.462 26.452 21.228 1.00 0.00 O ATOM 1527 CB ALA A 94 -20.816 26.648 18.027 1.00 0.00 C ATOM 1528 OXT ALA A 94 -20.699 28.549 20.541 1.00 0.00 O ATOM 0 H ALA A 94 -19.062 25.063 18.679 1.00 0.00 H new ATOM 0 HA ALA A 94 -19.198 27.909 18.669 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -21.541 27.460 17.964 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -20.374 26.479 17.045 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -21.317 25.739 18.361 1.00 0.00 H new