USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=18 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 78 GLN : amide:sc= 0.502 K(o=-0.7,f=-3.1) USER MOD Set 1.2: A 88 HIS : no HE2:sc= -1.21 K(o=-0.7,f=-5!) USER MOD Set 2.1: A 62 THR OG1 : rot 170:sc= 0.139 USER MOD Set 2.2: A 71 LYS NZ :NH3+ 172:sc= 0.145 (180deg=0) USER MOD Set 3.1: A 48 MET CE :methyl 165:sc= -1.28 (180deg=-1.46) USER MOD Set 3.2: A 51 GLN : amide:sc= -2.29 K(o=-3.6,f=-7.4!) USER MOD Set 4.1: A 10 LYS NZ :NH3+ -153:sc= 0.787 (180deg=0) USER MOD Set 4.2: A 12 GLN : amide:sc= -0.978 K(o=-0.19,f=-8!) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 ASN :FLIP amide:sc= -0.828 F(o=-2.3,f=-0.83) USER MOD Single : A 14 LYS NZ :NH3+ -158:sc= -0.0822 (180deg=-0.451) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 141:sc= 1.15 (180deg=-0.00263) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HE2:sc= -0.176 K(o=-0.18,f=-6.8!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= -0.0126 X(o=-0.013,f=-0.013) USER MOD Single : A 50 MET CE :methyl -145:sc= -1.23 (180deg=-4.68!) USER MOD Single : A 53 LYS NZ :NH3+ -153:sc= 1.17 (180deg=0.64) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 136:sc= 1.02 (180deg=0.0951) USER MOD Single : A 75 GLN : amide:sc= -0.026 K(o=-0.026,f=-2.5!) USER MOD Single : A 80 HIS : no HD1:sc= -0.895 K(o=-0.89,f=-1.7) 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 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 20 N PHE A 2 -30.571 21.053 13.179 1.00 0.00 N ATOM 21 CA PHE A 2 -29.882 19.912 12.578 1.00 0.00 C ATOM 22 C PHE A 2 -29.634 18.811 13.615 1.00 0.00 C ATOM 23 O PHE A 2 -30.251 17.754 13.529 1.00 0.00 O ATOM 24 CB PHE A 2 -28.588 20.389 11.890 1.00 0.00 C ATOM 25 CG PHE A 2 -28.759 21.673 11.097 1.00 0.00 C ATOM 26 CD1 PHE A 2 -29.443 21.664 9.865 1.00 0.00 C ATOM 27 CD2 PHE A 2 -28.315 22.895 11.640 1.00 0.00 C ATOM 28 CE1 PHE A 2 -29.697 22.874 9.192 1.00 0.00 C ATOM 29 CE2 PHE A 2 -28.561 24.100 10.964 1.00 0.00 C ATOM 30 CZ PHE A 2 -29.265 24.091 9.748 1.00 0.00 C ATOM 0 HA PHE A 2 -30.516 19.468 11.811 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -27.818 20.539 12.647 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -28.231 19.605 11.223 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -29.772 20.729 9.437 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -27.783 22.904 12.580 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -30.223 22.868 8.249 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -28.209 25.033 11.378 1.00 0.00 H new ATOM 0 HZ PHE A 2 -29.475 25.020 9.240 1.00 0.00 H new ATOM 40 N THR A 3 -28.780 19.098 14.608 1.00 0.00 N ATOM 41 CA THR A 3 -28.468 18.277 15.778 1.00 0.00 C ATOM 42 C THR A 3 -27.940 16.870 15.435 1.00 0.00 C ATOM 43 O THR A 3 -28.701 15.950 15.127 1.00 0.00 O ATOM 44 CB THR A 3 -29.684 18.198 16.701 1.00 0.00 C ATOM 45 OG1 THR A 3 -30.251 19.474 16.932 1.00 0.00 O ATOM 46 CG2 THR A 3 -29.322 17.579 18.059 1.00 0.00 C ATOM 0 H THR A 3 -28.254 19.972 14.611 1.00 0.00 H new ATOM 0 HA THR A 3 -27.647 18.774 16.294 1.00 0.00 H new ATOM 0 HB THR A 3 -30.410 17.565 16.190 1.00 0.00 H new ATOM 0 HG1 THR A 3 -31.027 19.385 17.524 1.00 0.00 H new ATOM 0 HG21 THR A 3 -30.211 17.539 18.689 1.00 0.00 H new ATOM 0 HG22 THR A 3 -28.938 16.570 17.908 1.00 0.00 H new ATOM 0 HG23 THR A 3 -28.560 18.188 18.545 1.00 0.00 H new ATOM 54 N ILE A 4 -26.619 16.690 15.527 1.00 0.00 N ATOM 55 CA ILE A 4 -25.931 15.520 15.005 1.00 0.00 C ATOM 56 C ILE A 4 -25.589 14.609 16.179 1.00 0.00 C ATOM 57 O ILE A 4 -24.512 14.696 16.759 1.00 0.00 O ATOM 58 CB ILE A 4 -24.704 15.890 14.134 1.00 0.00 C ATOM 59 CG1 ILE A 4 -24.581 17.352 13.677 1.00 0.00 C ATOM 60 CG2 ILE A 4 -24.653 14.943 12.932 1.00 0.00 C ATOM 61 CD1 ILE A 4 -25.734 17.911 12.833 1.00 0.00 C ATOM 0 H ILE A 4 -25.996 17.364 15.972 1.00 0.00 H new ATOM 0 HA ILE A 4 -26.587 14.982 14.321 1.00 0.00 H new ATOM 0 HB ILE A 4 -23.844 15.771 14.793 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -24.474 17.977 14.563 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -23.660 17.452 13.103 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -23.794 15.192 12.309 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -24.562 13.915 13.282 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -25.567 15.047 12.347 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -25.526 18.950 12.576 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -25.835 17.324 11.920 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -26.662 17.857 13.403 1.00 0.00 H new ATOM 73 N ASN A 5 -26.546 13.765 16.566 1.00 0.00 N ATOM 74 CA ASN A 5 -26.428 12.901 17.726 1.00 0.00 C ATOM 75 C ASN A 5 -25.220 11.980 17.533 1.00 0.00 C ATOM 76 O ASN A 5 -25.212 11.167 16.607 1.00 0.00 O ATOM 77 CB ASN A 5 -27.732 12.125 17.972 1.00 0.00 C ATOM 78 CG ASN A 5 -28.874 12.980 18.534 1.00 0.00 C ATOM 79 OD1 ASN A 5 -29.163 14.138 17.939 1.00 0.00 O flip ATOM 80 ND2 ASN A 5 -29.494 12.607 19.524 1.00 0.00 N flip ATOM 0 H ASN A 5 -27.433 13.666 16.072 1.00 0.00 H new ATOM 0 HA ASN A 5 -26.263 13.499 18.622 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -28.057 11.676 17.034 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -27.530 11.307 18.664 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -29.260 11.719 19.967 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -30.243 13.185 19.904 1.00 0.00 H new ATOM 87 N ALA A 6 -24.197 12.165 18.379 1.00 0.00 N ATOM 88 CA ALA A 6 -22.960 11.397 18.387 1.00 0.00 C ATOM 89 C ALA A 6 -22.859 10.667 19.736 1.00 0.00 C ATOM 90 O ALA A 6 -23.847 10.502 20.453 1.00 0.00 O ATOM 91 CB ALA A 6 -21.742 12.306 18.080 1.00 0.00 C ATOM 0 H ALA A 6 -24.217 12.884 19.102 1.00 0.00 H new ATOM 0 HA ALA A 6 -22.962 10.647 17.596 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -20.830 11.709 18.092 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -21.866 12.760 17.097 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -21.673 13.089 18.835 1.00 0.00 H new ATOM 97 N GLU A 7 -21.653 10.223 20.079 1.00 0.00 N ATOM 98 CA GLU A 7 -21.251 9.689 21.369 1.00 0.00 C ATOM 99 C GLU A 7 -19.734 9.868 21.428 1.00 0.00 C ATOM 100 O GLU A 7 -19.050 9.676 20.425 1.00 0.00 O ATOM 101 CB GLU A 7 -21.702 8.221 21.519 1.00 0.00 C ATOM 102 CG GLU A 7 -21.132 7.278 20.447 1.00 0.00 C ATOM 103 CD GLU A 7 -21.962 5.998 20.275 1.00 0.00 C ATOM 104 OE1 GLU A 7 -22.069 5.246 21.269 1.00 0.00 O ATOM 105 OE2 GLU A 7 -22.486 5.786 19.155 1.00 0.00 O ATOM 0 H GLU A 7 -20.880 10.229 19.414 1.00 0.00 H new ATOM 0 HA GLU A 7 -21.721 10.207 22.204 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -21.403 7.859 22.503 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -22.791 8.181 21.482 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -21.085 7.805 19.494 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -20.110 7.009 20.713 1.00 0.00 H new ATOM 112 N VAL A 8 -19.199 10.298 22.572 1.00 0.00 N ATOM 113 CA VAL A 8 -17.772 10.582 22.711 1.00 0.00 C ATOM 114 C VAL A 8 -16.942 9.319 22.523 1.00 0.00 C ATOM 115 O VAL A 8 -17.337 8.237 22.961 1.00 0.00 O ATOM 116 CB VAL A 8 -17.463 11.218 24.074 1.00 0.00 C ATOM 117 CG1 VAL A 8 -17.886 12.680 24.043 1.00 0.00 C ATOM 118 CG2 VAL A 8 -18.148 10.510 25.246 1.00 0.00 C ATOM 0 H VAL A 8 -19.739 10.458 23.422 1.00 0.00 H new ATOM 0 HA VAL A 8 -17.503 11.293 21.930 1.00 0.00 H new ATOM 0 HB VAL A 8 -16.390 11.121 24.239 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -17.671 13.142 25.007 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -17.336 13.202 23.260 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -18.955 12.745 23.840 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -17.886 11.012 26.178 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -19.229 10.541 25.109 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -17.818 9.472 25.288 1.00 0.00 H new ATOM 128 N ARG A 9 -15.767 9.478 21.901 1.00 0.00 N ATOM 129 CA ARG A 9 -14.849 8.350 21.737 1.00 0.00 C ATOM 130 C ARG A 9 -13.385 8.742 21.790 1.00 0.00 C ATOM 131 O ARG A 9 -13.014 9.830 21.373 1.00 0.00 O ATOM 132 CB ARG A 9 -15.173 7.535 20.476 1.00 0.00 C ATOM 133 CG ARG A 9 -15.685 8.279 19.238 1.00 0.00 C ATOM 134 CD ARG A 9 -14.709 9.237 18.553 1.00 0.00 C ATOM 135 NE ARG A 9 -13.639 8.494 17.893 1.00 0.00 N ATOM 136 CZ ARG A 9 -12.967 8.813 16.775 1.00 0.00 C ATOM 137 NH1 ARG A 9 -13.033 10.019 16.198 1.00 0.00 N ATOM 138 NH2 ARG A 9 -12.196 7.874 16.235 1.00 0.00 N ATOM 0 H ARG A 9 -15.436 10.360 21.510 1.00 0.00 H new ATOM 0 HA ARG A 9 -15.013 7.709 22.603 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -14.271 6.995 20.189 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -15.919 6.788 20.746 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -16.004 7.538 18.505 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -16.571 8.845 19.525 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -15.241 9.846 17.822 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -14.285 9.920 19.289 1.00 0.00 H new ATOM 0 HE ARG A 9 -13.366 7.618 18.340 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -13.615 10.749 16.608 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -12.501 10.208 15.348 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -12.133 6.954 16.670 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -11.668 8.074 15.385 1.00 0.00 H new ATOM 152 N LYS A 10 -12.557 7.802 22.260 1.00 0.00 N ATOM 153 CA LYS A 10 -11.100 7.894 22.338 1.00 0.00 C ATOM 154 C LYS A 10 -10.405 6.694 21.670 1.00 0.00 C ATOM 155 O LYS A 10 -9.181 6.623 21.643 1.00 0.00 O ATOM 156 CB LYS A 10 -10.673 8.098 23.795 1.00 0.00 C ATOM 157 CG LYS A 10 -11.041 9.490 24.345 1.00 0.00 C ATOM 158 CD LYS A 10 -10.176 10.651 23.807 1.00 0.00 C ATOM 159 CE LYS A 10 -10.781 11.402 22.607 1.00 0.00 C ATOM 160 NZ LYS A 10 -9.788 12.299 21.980 1.00 0.00 N ATOM 0 H LYS A 10 -12.906 6.911 22.614 1.00 0.00 H new ATOM 0 HA LYS A 10 -10.773 8.764 21.769 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -11.142 7.334 24.415 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -9.595 7.956 23.875 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -12.085 9.694 24.108 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -10.959 9.469 25.432 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -10.005 11.363 24.615 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -9.202 10.256 23.518 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -11.142 10.684 21.870 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -11.643 11.983 22.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -10.279 13.090 21.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -9.145 12.669 22.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -9.240 11.770 21.272 1.00 0.00 H new ATOM 174 N GLU A 11 -11.192 5.787 21.080 1.00 0.00 N ATOM 175 CA GLU A 11 -10.794 4.571 20.358 1.00 0.00 C ATOM 176 C GLU A 11 -10.062 4.800 19.022 1.00 0.00 C ATOM 177 O GLU A 11 -9.845 3.848 18.274 1.00 0.00 O ATOM 178 CB GLU A 11 -12.069 3.731 20.117 1.00 0.00 C ATOM 179 CG GLU A 11 -12.460 2.883 21.319 1.00 0.00 C ATOM 180 CD GLU A 11 -13.604 1.902 21.045 1.00 0.00 C ATOM 181 OE1 GLU A 11 -14.507 2.254 20.255 1.00 0.00 O ATOM 182 OE2 GLU A 11 -13.559 0.789 21.621 1.00 0.00 O ATOM 0 H GLU A 11 -12.206 5.892 21.096 1.00 0.00 H new ATOM 0 HA GLU A 11 -10.063 4.061 20.985 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -12.894 4.397 19.866 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -11.911 3.081 19.257 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -11.587 2.323 21.654 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -12.749 3.543 22.137 1.00 0.00 H new ATOM 189 N GLN A 12 -9.720 6.049 18.705 1.00 0.00 N ATOM 190 CA GLN A 12 -9.358 6.537 17.368 1.00 0.00 C ATOM 191 C GLN A 12 -8.283 5.757 16.616 1.00 0.00 C ATOM 192 O GLN A 12 -8.334 5.748 15.391 1.00 0.00 O ATOM 193 CB GLN A 12 -8.946 8.014 17.387 1.00 0.00 C ATOM 194 CG GLN A 12 -8.354 8.594 18.665 1.00 0.00 C ATOM 195 CD GLN A 12 -9.374 9.312 19.566 1.00 0.00 C ATOM 196 OE1 GLN A 12 -8.988 10.057 20.459 1.00 0.00 O ATOM 197 NE2 GLN A 12 -10.686 9.116 19.381 1.00 0.00 N ATOM 0 H GLN A 12 -9.685 6.788 19.408 1.00 0.00 H new ATOM 0 HA GLN A 12 -10.287 6.384 16.818 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -8.219 8.164 16.589 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -9.826 8.605 17.133 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -7.888 7.789 19.233 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -7.564 9.296 18.399 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -11.009 8.496 18.638 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -11.362 9.587 19.983 1.00 0.00 H new ATOM 206 N GLY A 13 -7.355 5.140 17.351 1.00 0.00 N ATOM 207 CA GLY A 13 -6.200 4.338 16.925 1.00 0.00 C ATOM 208 C GLY A 13 -6.455 3.154 15.966 1.00 0.00 C ATOM 209 O GLY A 13 -5.906 2.074 16.172 1.00 0.00 O ATOM 0 H GLY A 13 -7.397 5.195 18.369 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -5.486 5.008 16.446 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -5.717 3.945 17.820 1.00 0.00 H new ATOM 213 N LYS A 14 -7.278 3.320 14.921 1.00 0.00 N ATOM 214 CA LYS A 14 -7.712 2.382 13.898 1.00 0.00 C ATOM 215 C LYS A 14 -8.736 1.394 14.434 1.00 0.00 C ATOM 216 O LYS A 14 -9.523 0.908 13.632 1.00 0.00 O ATOM 217 CB LYS A 14 -6.525 1.781 13.117 1.00 0.00 C ATOM 218 CG LYS A 14 -6.648 1.830 11.579 1.00 0.00 C ATOM 219 CD LYS A 14 -6.846 0.486 10.865 1.00 0.00 C ATOM 220 CE LYS A 14 -5.513 -0.152 10.449 1.00 0.00 C ATOM 221 NZ LYS A 14 -4.761 0.658 9.456 1.00 0.00 N ATOM 0 H LYS A 14 -7.703 4.233 14.762 1.00 0.00 H new ATOM 0 HA LYS A 14 -8.261 2.931 13.133 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -5.617 2.308 13.408 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -6.402 0.742 13.421 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -7.486 2.478 11.324 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -5.749 2.299 11.180 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -7.384 -0.197 11.522 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -7.467 0.634 9.982 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -4.894 -0.295 11.335 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -5.705 -1.140 10.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -4.094 0.047 8.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -5.427 1.086 8.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -4.235 1.409 9.947 1.00 0.00 H new ATOM 235 N GLY A 15 -8.820 1.216 15.763 1.00 0.00 N ATOM 236 CA GLY A 15 -9.876 0.515 16.473 1.00 0.00 C ATOM 237 C GLY A 15 -11.249 1.090 16.132 1.00 0.00 C ATOM 238 O GLY A 15 -12.028 0.420 15.463 1.00 0.00 O ATOM 0 H GLY A 15 -8.108 1.582 16.396 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -9.849 -0.544 16.217 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -9.705 0.587 17.547 1.00 0.00 H new ATOM 242 N ALA A 16 -11.557 2.327 16.550 1.00 0.00 N ATOM 243 CA ALA A 16 -12.826 3.000 16.238 1.00 0.00 C ATOM 244 C ALA A 16 -13.084 3.085 14.733 1.00 0.00 C ATOM 245 O ALA A 16 -14.232 3.089 14.306 1.00 0.00 O ATOM 246 CB ALA A 16 -12.890 4.378 16.893 1.00 0.00 C ATOM 0 H ALA A 16 -10.927 2.893 17.119 1.00 0.00 H new ATOM 0 HA ALA A 16 -13.625 2.388 16.658 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -13.839 4.854 16.646 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -12.808 4.271 17.975 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -12.069 4.994 16.526 1.00 0.00 H new ATOM 252 N SER A 17 -12.034 3.081 13.918 1.00 0.00 N ATOM 253 CA SER A 17 -12.150 3.339 12.483 1.00 0.00 C ATOM 254 C SER A 17 -12.857 2.171 11.791 1.00 0.00 C ATOM 255 O SER A 17 -13.661 2.386 10.885 1.00 0.00 O ATOM 256 CB SER A 17 -10.771 3.621 11.872 1.00 0.00 C ATOM 257 OG SER A 17 -10.148 4.673 12.583 1.00 0.00 O ATOM 0 H SER A 17 -11.080 2.900 14.231 1.00 0.00 H new ATOM 0 HA SER A 17 -12.759 4.230 12.329 1.00 0.00 H new ATOM 0 HB2 SER A 17 -10.153 2.724 11.912 1.00 0.00 H new ATOM 0 HB3 SER A 17 -10.875 3.889 10.821 1.00 0.00 H new ATOM 0 HG SER A 17 -9.266 4.853 12.195 1.00 0.00 H new ATOM 263 N ARG A 18 -12.614 0.945 12.275 1.00 0.00 N ATOM 264 CA ARG A 18 -13.190 -0.294 11.785 1.00 0.00 C ATOM 265 C ARG A 18 -14.468 -0.673 12.540 1.00 0.00 C ATOM 266 O ARG A 18 -15.237 -1.455 12.000 1.00 0.00 O ATOM 267 CB ARG A 18 -12.118 -1.406 11.762 1.00 0.00 C ATOM 268 CG ARG A 18 -11.365 -1.680 13.080 1.00 0.00 C ATOM 269 CD ARG A 18 -12.138 -2.456 14.149 1.00 0.00 C ATOM 270 NE ARG A 18 -12.663 -3.739 13.673 1.00 0.00 N ATOM 271 CZ ARG A 18 -12.062 -4.930 13.792 1.00 0.00 C ATOM 272 NH1 ARG A 18 -10.815 -5.041 14.267 1.00 0.00 N ATOM 273 NH2 ARG A 18 -12.744 -6.019 13.433 1.00 0.00 N ATOM 0 H ARG A 18 -11.977 0.794 13.058 1.00 0.00 H new ATOM 0 HA ARG A 18 -13.514 -0.150 10.754 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -12.598 -2.333 11.447 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -11.383 -1.152 10.998 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -10.455 -2.232 12.846 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -11.058 -0.724 13.505 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -11.484 -2.634 15.002 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -12.966 -1.843 14.505 1.00 0.00 H new ATOM 0 HE ARG A 18 -13.571 -3.723 13.208 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -10.300 -4.207 14.548 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -10.380 -5.960 14.348 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -13.697 -5.931 13.079 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -12.313 -6.940 13.512 1.00 0.00 H new ATOM 287 N ARG A 19 -14.735 -0.114 13.732 1.00 0.00 N ATOM 288 CA ARG A 19 -15.986 -0.309 14.483 1.00 0.00 C ATOM 289 C ARG A 19 -17.090 0.564 13.893 1.00 0.00 C ATOM 290 O ARG A 19 -18.216 0.119 13.671 1.00 0.00 O ATOM 291 CB ARG A 19 -15.795 0.105 15.951 1.00 0.00 C ATOM 292 CG ARG A 19 -14.744 -0.705 16.688 1.00 0.00 C ATOM 293 CD ARG A 19 -14.328 0.162 17.862 1.00 0.00 C ATOM 294 NE ARG A 19 -13.911 -0.575 19.027 1.00 0.00 N ATOM 295 CZ ARG A 19 -12.754 -1.237 19.182 1.00 0.00 C ATOM 296 NH1 ARG A 19 -12.043 -1.636 18.121 1.00 0.00 N ATOM 297 NH2 ARG A 19 -12.303 -1.467 20.415 1.00 0.00 N ATOM 0 H ARG A 19 -14.074 0.498 14.210 1.00 0.00 H new ATOM 0 HA ARG A 19 -16.257 -1.363 14.420 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -15.519 1.159 15.988 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -16.747 0.006 16.473 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -15.147 -1.659 17.026 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -13.895 -0.929 16.043 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -13.512 0.812 17.547 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -15.163 0.808 18.135 1.00 0.00 H new ATOM 0 HE ARG A 19 -14.560 -0.596 19.813 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -12.379 -1.438 17.178 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -11.165 -2.138 18.255 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -12.835 -1.141 21.222 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -11.425 -1.969 20.552 1.00 0.00 H new ATOM 311 N LEU A 20 -16.750 1.828 13.643 1.00 0.00 N ATOM 312 CA LEU A 20 -17.678 2.805 13.119 1.00 0.00 C ATOM 313 C LEU A 20 -18.066 2.437 11.700 1.00 0.00 C ATOM 314 O LEU A 20 -19.262 2.311 11.440 1.00 0.00 O ATOM 315 CB LEU A 20 -17.100 4.219 13.195 1.00 0.00 C ATOM 316 CG LEU A 20 -17.367 4.863 14.563 1.00 0.00 C ATOM 317 CD1 LEU A 20 -16.354 4.595 15.652 1.00 0.00 C ATOM 318 CD2 LEU A 20 -17.392 6.376 14.406 1.00 0.00 C ATOM 0 H LEU A 20 -15.812 2.197 13.803 1.00 0.00 H new ATOM 0 HA LEU A 20 -18.577 2.798 13.735 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -16.026 4.185 13.011 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -17.538 4.835 12.410 1.00 0.00 H new ATOM 0 HG LEU A 20 -18.309 4.411 14.874 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -16.658 5.105 16.566 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -16.295 3.523 15.838 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -15.377 4.963 15.339 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -17.581 6.839 15.374 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -16.431 6.718 14.022 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -18.182 6.656 13.709 1.00 0.00 H new ATOM 330 N ARG A 21 -17.091 2.197 10.808 1.00 0.00 N ATOM 331 CA ARG A 21 -17.412 1.704 9.472 1.00 0.00 C ATOM 332 C ARG A 21 -18.078 0.331 9.514 1.00 0.00 C ATOM 333 O ARG A 21 -18.785 -0.009 8.563 1.00 0.00 O ATOM 334 CB ARG A 21 -16.193 1.760 8.527 1.00 0.00 C ATOM 335 CG ARG A 21 -15.162 0.624 8.690 1.00 0.00 C ATOM 336 CD ARG A 21 -15.122 -0.380 7.528 1.00 0.00 C ATOM 337 NE ARG A 21 -16.384 -1.123 7.391 1.00 0.00 N ATOM 338 CZ ARG A 21 -16.562 -2.453 7.354 1.00 0.00 C ATOM 339 NH1 ARG A 21 -15.528 -3.302 7.378 1.00 0.00 N ATOM 340 NH2 ARG A 21 -17.808 -2.931 7.296 1.00 0.00 N ATOM 0 H ARG A 21 -16.096 2.335 10.988 1.00 0.00 H new ATOM 0 HA ARG A 21 -18.152 2.382 9.046 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -16.554 1.752 7.499 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -15.683 2.712 8.679 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -14.172 1.065 8.805 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -15.380 0.084 9.611 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -14.912 0.150 6.599 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -14.304 -1.083 7.686 1.00 0.00 H new ATOM 0 HE ARG A 21 -17.229 -0.557 7.315 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -14.574 -2.943 7.426 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -15.693 -4.308 7.349 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -18.600 -2.289 7.281 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -17.967 -3.938 7.267 1.00 0.00 H new ATOM 354 N ALA A 22 -17.903 -0.438 10.603 1.00 0.00 N ATOM 355 CA ALA A 22 -18.638 -1.696 10.745 1.00 0.00 C ATOM 356 C ALA A 22 -20.126 -1.496 11.073 1.00 0.00 C ATOM 357 O ALA A 22 -20.908 -2.423 10.867 1.00 0.00 O ATOM 358 CB ALA A 22 -17.974 -2.594 11.779 1.00 0.00 C ATOM 0 H ALA A 22 -17.276 -0.215 11.376 1.00 0.00 H new ATOM 0 HA ALA A 22 -18.601 -2.185 9.771 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -18.536 -3.523 11.869 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -16.954 -2.816 11.466 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -17.956 -2.087 12.743 1.00 0.00 H new ATOM 364 N ALA A 23 -20.528 -0.298 11.521 1.00 0.00 N ATOM 365 CA ALA A 23 -21.906 0.070 11.825 1.00 0.00 C ATOM 366 C ALA A 23 -22.404 1.231 10.972 1.00 0.00 C ATOM 367 O ALA A 23 -23.424 1.825 11.324 1.00 0.00 O ATOM 368 CB ALA A 23 -22.022 0.449 13.296 1.00 0.00 C ATOM 0 H ALA A 23 -19.872 0.466 11.686 1.00 0.00 H new ATOM 0 HA ALA A 23 -22.526 -0.797 11.599 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -23.053 0.724 13.521 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -21.729 -0.399 13.915 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -21.367 1.294 13.507 1.00 0.00 H new ATOM 374 N ASN A 24 -21.706 1.571 9.874 1.00 0.00 N ATOM 375 CA ASN A 24 -22.097 2.635 8.958 1.00 0.00 C ATOM 376 C ASN A 24 -22.029 4.039 9.589 1.00 0.00 C ATOM 377 O ASN A 24 -22.427 5.024 8.965 1.00 0.00 O ATOM 378 CB ASN A 24 -23.469 2.289 8.355 1.00 0.00 C ATOM 379 CG ASN A 24 -23.331 1.650 6.978 1.00 0.00 C ATOM 380 OD1 ASN A 24 -23.500 2.304 5.954 1.00 0.00 O ATOM 381 ND2 ASN A 24 -23.003 0.359 6.953 1.00 0.00 N ATOM 0 H ASN A 24 -20.842 1.101 9.602 1.00 0.00 H new ATOM 0 HA ASN A 24 -21.370 2.690 8.148 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -23.999 1.608 9.021 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -24.072 3.194 8.278 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -22.884 -0.120 6.060 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -22.871 -0.151 7.827 1.00 0.00 H new ATOM 388 N LYS A 25 -21.480 4.142 10.805 1.00 0.00 N ATOM 389 CA LYS A 25 -21.063 5.382 11.429 1.00 0.00 C ATOM 390 C LYS A 25 -19.641 5.694 10.927 1.00 0.00 C ATOM 391 O LYS A 25 -19.085 4.949 10.116 1.00 0.00 O ATOM 392 CB LYS A 25 -21.218 5.221 12.957 1.00 0.00 C ATOM 393 CG LYS A 25 -22.681 4.860 13.338 1.00 0.00 C ATOM 394 CD LYS A 25 -23.265 5.627 14.535 1.00 0.00 C ATOM 395 CE LYS A 25 -22.454 5.455 15.817 1.00 0.00 C ATOM 396 NZ LYS A 25 -22.624 4.142 16.462 1.00 0.00 N ATOM 0 H LYS A 25 -21.312 3.327 11.395 1.00 0.00 H new ATOM 0 HA LYS A 25 -21.673 6.245 11.163 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -20.544 4.442 13.314 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -20.928 6.146 13.454 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -23.317 5.037 12.471 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -22.728 3.793 13.555 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -23.319 6.687 14.287 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -24.286 5.289 14.711 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -21.398 5.602 15.589 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -22.740 6.235 16.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -21.710 3.818 16.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -23.308 4.224 17.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -22.974 3.455 15.764 1.00 0.00 H new ATOM 410 N PHE A 26 -19.048 6.809 11.356 1.00 0.00 N ATOM 411 CA PHE A 26 -17.705 7.219 10.944 1.00 0.00 C ATOM 412 C PHE A 26 -17.228 8.293 11.939 1.00 0.00 C ATOM 413 O PHE A 26 -18.061 8.945 12.578 1.00 0.00 O ATOM 414 CB PHE A 26 -17.693 7.743 9.490 1.00 0.00 C ATOM 415 CG PHE A 26 -18.131 9.182 9.396 1.00 0.00 C ATOM 416 CD1 PHE A 26 -19.433 9.515 9.795 1.00 0.00 C ATOM 417 CD2 PHE A 26 -17.194 10.195 9.117 1.00 0.00 C ATOM 418 CE1 PHE A 26 -19.770 10.849 10.017 1.00 0.00 C ATOM 419 CE2 PHE A 26 -17.548 11.535 9.334 1.00 0.00 C ATOM 420 CZ PHE A 26 -18.810 11.856 9.840 1.00 0.00 C ATOM 0 H PHE A 26 -19.491 7.459 12.005 1.00 0.00 H new ATOM 0 HA PHE A 26 -17.028 6.365 10.959 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -16.688 7.644 9.079 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -18.350 7.125 8.878 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -20.173 8.740 9.930 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -16.214 9.943 8.740 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -20.772 11.108 10.326 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -16.842 12.321 9.109 1.00 0.00 H new ATOM 0 HZ PHE A 26 -19.046 12.879 10.095 1.00 0.00 H new ATOM 430 N PRO A 27 -15.912 8.466 12.124 1.00 0.00 N ATOM 431 CA PRO A 27 -15.400 9.348 13.162 1.00 0.00 C ATOM 432 C PRO A 27 -15.578 10.822 12.794 1.00 0.00 C ATOM 433 O PRO A 27 -15.616 11.178 11.617 1.00 0.00 O ATOM 434 CB PRO A 27 -13.924 8.974 13.298 1.00 0.00 C ATOM 435 CG PRO A 27 -13.555 8.383 11.939 1.00 0.00 C ATOM 436 CD PRO A 27 -14.841 7.680 11.531 1.00 0.00 C ATOM 0 HA PRO A 27 -15.940 9.225 14.101 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -13.313 9.846 13.531 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -13.769 8.253 14.100 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -13.269 9.155 11.224 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -12.718 7.689 12.011 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -14.939 7.637 10.446 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -14.860 6.652 11.894 1.00 0.00 H new ATOM 444 N ALA A 28 -15.606 11.684 13.815 1.00 0.00 N ATOM 445 CA ALA A 28 -15.395 13.117 13.667 1.00 0.00 C ATOM 446 C ALA A 28 -14.575 13.649 14.842 1.00 0.00 C ATOM 447 O ALA A 28 -14.272 12.912 15.788 1.00 0.00 O ATOM 448 CB ALA A 28 -16.739 13.837 13.534 1.00 0.00 C ATOM 0 H ALA A 28 -15.779 11.397 14.778 1.00 0.00 H new ATOM 0 HA ALA A 28 -14.829 13.310 12.756 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -16.569 14.908 13.424 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -17.268 13.462 12.658 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -17.339 13.655 14.425 1.00 0.00 H new ATOM 454 N ILE A 29 -14.272 14.952 14.788 1.00 0.00 N ATOM 455 CA ILE A 29 -13.638 15.702 15.866 1.00 0.00 C ATOM 456 C ILE A 29 -14.380 17.016 16.072 1.00 0.00 C ATOM 457 O ILE A 29 -15.012 17.550 15.162 1.00 0.00 O ATOM 458 CB ILE A 29 -12.133 15.870 15.572 1.00 0.00 C ATOM 459 CG1 ILE A 29 -11.251 16.482 16.675 1.00 0.00 C ATOM 460 CG2 ILE A 29 -11.853 16.731 14.339 1.00 0.00 C ATOM 461 CD1 ILE A 29 -11.101 15.662 17.947 1.00 0.00 C ATOM 0 H ILE A 29 -14.469 15.525 13.967 1.00 0.00 H new ATOM 0 HA ILE A 29 -13.702 15.159 16.809 1.00 0.00 H new ATOM 0 HB ILE A 29 -11.863 14.821 15.447 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -10.258 16.658 16.261 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -11.662 17.456 16.942 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -10.777 16.810 14.187 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -12.310 16.271 13.463 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -12.272 17.726 14.487 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -10.459 16.194 18.649 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -12.081 15.507 18.398 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -10.655 14.697 17.707 1.00 0.00 H new ATOM 473 N ILE A 30 -14.265 17.523 17.295 1.00 0.00 N ATOM 474 CA ILE A 30 -14.836 18.780 17.760 1.00 0.00 C ATOM 475 C ILE A 30 -13.651 19.574 18.284 1.00 0.00 C ATOM 476 O ILE A 30 -13.273 19.398 19.438 1.00 0.00 O ATOM 477 CB ILE A 30 -15.966 18.581 18.814 1.00 0.00 C ATOM 478 CG1 ILE A 30 -17.228 18.084 18.088 1.00 0.00 C ATOM 479 CG2 ILE A 30 -16.248 19.882 19.586 1.00 0.00 C ATOM 480 CD1 ILE A 30 -18.440 17.737 18.970 1.00 0.00 C ATOM 0 H ILE A 30 -13.743 17.041 18.027 1.00 0.00 H new ATOM 0 HA ILE A 30 -15.346 19.314 16.958 1.00 0.00 H new ATOM 0 HB ILE A 30 -15.649 17.842 19.550 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -17.534 18.849 17.375 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -16.962 17.198 17.511 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -17.041 19.709 20.313 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -15.344 20.201 20.104 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -16.559 20.659 18.888 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -19.263 17.400 18.340 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -18.168 16.944 19.667 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -18.749 18.621 19.528 1.00 0.00 H new ATOM 492 N TYR A 31 -13.025 20.386 17.430 1.00 0.00 N ATOM 493 CA TYR A 31 -11.747 21.013 17.729 1.00 0.00 C ATOM 494 C TYR A 31 -11.849 22.517 17.924 1.00 0.00 C ATOM 495 O TYR A 31 -12.944 23.064 18.011 1.00 0.00 O ATOM 496 CB TYR A 31 -10.688 20.550 16.727 1.00 0.00 C ATOM 497 CG TYR A 31 -10.718 20.952 15.258 1.00 0.00 C ATOM 498 CD1 TYR A 31 -11.100 22.228 14.778 1.00 0.00 C ATOM 499 CD2 TYR A 31 -10.152 20.032 14.360 1.00 0.00 C ATOM 500 CE1 TYR A 31 -10.969 22.526 13.407 1.00 0.00 C ATOM 501 CE2 TYR A 31 -9.951 20.352 13.013 1.00 0.00 C ATOM 502 CZ TYR A 31 -10.416 21.581 12.516 1.00 0.00 C ATOM 503 OH TYR A 31 -10.351 21.833 11.181 1.00 0.00 O ATOM 0 H TYR A 31 -13.396 20.625 16.510 1.00 0.00 H new ATOM 0 HA TYR A 31 -11.409 20.671 18.707 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -9.725 20.875 17.119 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -10.691 19.460 16.752 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -11.490 22.970 15.459 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -9.865 19.054 14.718 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -11.295 23.486 13.035 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -9.442 19.659 12.360 1.00 0.00 H new ATOM 0 HH TYR A 31 -9.939 21.070 10.724 1.00 0.00 H new ATOM 574 N PRO A 37 -9.642 19.343 21.862 1.00 0.00 N ATOM 575 CA PRO A 37 -10.802 18.855 21.118 1.00 0.00 C ATOM 576 C PRO A 37 -11.639 17.769 21.807 1.00 0.00 C ATOM 577 O PRO A 37 -11.464 17.476 22.990 1.00 0.00 O ATOM 578 CB PRO A 37 -10.233 18.281 19.823 1.00 0.00 C ATOM 579 CG PRO A 37 -8.951 19.048 19.647 1.00 0.00 C ATOM 580 CD PRO A 37 -8.444 19.081 21.075 1.00 0.00 C ATOM 0 HA PRO A 37 -11.493 19.689 20.996 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -10.054 17.209 19.901 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -10.911 18.431 18.983 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -8.257 18.545 18.973 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -9.119 20.047 19.244 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -7.979 18.136 21.357 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -7.694 19.860 21.216 1.00 0.00 H new ATOM 588 N LEU A 38 -12.552 17.159 21.030 1.00 0.00 N ATOM 589 CA LEU A 38 -13.413 16.070 21.465 1.00 0.00 C ATOM 590 C LEU A 38 -13.825 15.226 20.260 1.00 0.00 C ATOM 591 O LEU A 38 -14.645 15.642 19.449 1.00 0.00 O ATOM 592 CB LEU A 38 -14.648 16.639 22.170 1.00 0.00 C ATOM 593 CG LEU A 38 -15.537 15.528 22.758 1.00 0.00 C ATOM 594 CD1 LEU A 38 -15.066 15.261 24.181 1.00 0.00 C ATOM 595 CD2 LEU A 38 -16.992 15.983 22.752 1.00 0.00 C ATOM 0 H LEU A 38 -12.707 17.425 20.058 1.00 0.00 H new ATOM 0 HA LEU A 38 -12.872 15.435 22.167 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -14.333 17.312 22.968 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -15.228 17.232 21.463 1.00 0.00 H new ATOM 0 HG LEU A 38 -15.464 14.616 22.166 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -15.678 14.476 24.626 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -14.024 14.943 24.166 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -15.159 16.172 24.772 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -17.621 15.196 23.168 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -17.093 16.886 23.355 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -17.303 16.193 21.729 1.00 0.00 H new ATOM 607 N ALA A 39 -13.254 14.032 20.137 1.00 0.00 N ATOM 608 CA ALA A 39 -13.646 13.080 19.114 1.00 0.00 C ATOM 609 C ALA A 39 -15.008 12.464 19.469 1.00 0.00 C ATOM 610 O ALA A 39 -15.225 12.093 20.625 1.00 0.00 O ATOM 611 CB ALA A 39 -12.535 12.044 19.019 1.00 0.00 C ATOM 0 H ALA A 39 -12.506 13.701 20.746 1.00 0.00 H new ATOM 0 HA ALA A 39 -13.772 13.554 18.141 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -12.790 11.306 18.258 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -11.601 12.536 18.749 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -12.418 11.547 19.982 1.00 0.00 H new ATOM 617 N ILE A 40 -15.923 12.343 18.492 1.00 0.00 N ATOM 618 CA ILE A 40 -17.277 11.857 18.655 1.00 0.00 C ATOM 619 C ILE A 40 -17.599 10.946 17.459 1.00 0.00 C ATOM 620 O ILE A 40 -17.291 11.258 16.308 1.00 0.00 O ATOM 621 CB ILE A 40 -18.268 13.039 18.757 1.00 0.00 C ATOM 622 CG1 ILE A 40 -18.469 13.903 17.492 1.00 0.00 C ATOM 623 CG2 ILE A 40 -17.985 13.914 19.988 1.00 0.00 C ATOM 624 CD1 ILE A 40 -17.244 14.677 17.022 1.00 0.00 C ATOM 0 H ILE A 40 -15.715 12.597 17.526 1.00 0.00 H new ATOM 0 HA ILE A 40 -17.372 11.288 19.580 1.00 0.00 H new ATOM 0 HB ILE A 40 -19.228 12.536 18.872 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -18.801 13.255 16.680 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -19.274 14.613 17.683 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -18.702 14.734 20.024 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -18.076 13.311 20.892 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -16.975 14.319 19.922 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -17.496 15.249 16.129 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -16.920 15.358 17.809 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -16.439 13.979 16.791 1.00 0.00 H new ATOM 636 N GLU A 41 -18.194 9.798 17.760 1.00 0.00 N ATOM 637 CA GLU A 41 -18.742 8.803 16.858 1.00 0.00 C ATOM 638 C GLU A 41 -20.159 9.213 16.463 1.00 0.00 C ATOM 639 O GLU A 41 -21.038 9.246 17.319 1.00 0.00 O ATOM 640 CB GLU A 41 -18.697 7.453 17.606 1.00 0.00 C ATOM 641 CG GLU A 41 -19.646 6.364 17.102 1.00 0.00 C ATOM 642 CD GLU A 41 -19.352 4.970 17.674 1.00 0.00 C ATOM 643 OE1 GLU A 41 -18.550 4.866 18.628 1.00 0.00 O ATOM 644 OE2 GLU A 41 -19.935 4.010 17.121 1.00 0.00 O ATOM 0 H GLU A 41 -18.314 9.518 18.733 1.00 0.00 H new ATOM 0 HA GLU A 41 -18.173 8.716 15.932 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -17.678 7.068 17.556 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -18.917 7.638 18.658 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -20.669 6.642 17.355 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -19.588 6.320 16.014 1.00 0.00 H new ATOM 651 N LEU A 42 -20.386 9.518 15.178 1.00 0.00 N ATOM 652 CA LEU A 42 -21.703 9.865 14.650 1.00 0.00 C ATOM 653 C LEU A 42 -22.017 9.079 13.381 1.00 0.00 C ATOM 654 O LEU A 42 -21.140 8.484 12.757 1.00 0.00 O ATOM 655 CB LEU A 42 -21.852 11.380 14.410 1.00 0.00 C ATOM 656 CG LEU A 42 -21.111 11.924 13.174 1.00 0.00 C ATOM 657 CD1 LEU A 42 -21.659 13.287 12.793 1.00 0.00 C ATOM 658 CD2 LEU A 42 -19.609 12.087 13.376 1.00 0.00 C ATOM 0 H LEU A 42 -19.650 9.529 14.472 1.00 0.00 H new ATOM 0 HA LEU A 42 -22.431 9.585 15.411 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -22.912 11.613 14.310 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -21.491 11.909 15.292 1.00 0.00 H new ATOM 0 HG LEU A 42 -21.274 11.180 12.394 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -21.127 13.661 11.918 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -22.721 13.201 12.563 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -21.523 13.979 13.624 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -19.159 12.474 12.462 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -19.425 12.783 14.194 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -19.167 11.120 13.617 1.00 0.00 H new ATOM 670 N ASP A 43 -23.293 9.124 12.993 1.00 0.00 N ATOM 671 CA ASP A 43 -23.813 8.438 11.826 1.00 0.00 C ATOM 672 C ASP A 43 -23.371 9.173 10.558 1.00 0.00 C ATOM 673 O ASP A 43 -23.507 10.397 10.473 1.00 0.00 O ATOM 674 CB ASP A 43 -25.339 8.389 11.909 1.00 0.00 C ATOM 675 CG ASP A 43 -25.894 7.344 10.952 1.00 0.00 C ATOM 676 OD1 ASP A 43 -26.153 7.729 9.792 1.00 0.00 O ATOM 677 OD2 ASP A 43 -26.024 6.181 11.388 1.00 0.00 O ATOM 0 H ASP A 43 -24.004 9.653 13.499 1.00 0.00 H new ATOM 0 HA ASP A 43 -23.425 7.420 11.792 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -25.646 8.156 12.929 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -25.753 9.368 11.667 1.00 0.00 H new ATOM 682 N HIS A 44 -22.860 8.426 9.571 1.00 0.00 N ATOM 683 CA HIS A 44 -22.453 8.986 8.288 1.00 0.00 C ATOM 684 C HIS A 44 -23.671 9.459 7.507 1.00 0.00 C ATOM 685 O HIS A 44 -23.657 10.574 6.994 1.00 0.00 O ATOM 686 CB HIS A 44 -21.682 7.938 7.476 1.00 0.00 C ATOM 687 CG HIS A 44 -21.147 8.406 6.137 1.00 0.00 C ATOM 688 ND1 HIS A 44 -21.613 9.465 5.389 1.00 0.00 N ATOM 689 CD2 HIS A 44 -20.151 7.808 5.410 1.00 0.00 C ATOM 690 CE1 HIS A 44 -20.926 9.497 4.241 1.00 0.00 C ATOM 691 NE2 HIS A 44 -20.018 8.510 4.206 1.00 0.00 N ATOM 0 H HIS A 44 -22.720 7.418 9.645 1.00 0.00 H new ATOM 0 HA HIS A 44 -21.802 9.841 8.471 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -20.845 7.584 8.077 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -22.337 7.083 7.306 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -22.353 10.112 5.663 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -19.572 6.948 5.712 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -21.081 10.218 3.452 1.00 0.00 H new ATOM 699 N ASP A 45 -24.691 8.612 7.354 1.00 0.00 N ATOM 700 CA ASP A 45 -25.822 8.910 6.489 1.00 0.00 C ATOM 701 C ASP A 45 -26.653 10.071 7.044 1.00 0.00 C ATOM 702 O ASP A 45 -27.201 10.857 6.269 1.00 0.00 O ATOM 703 CB ASP A 45 -26.663 7.647 6.307 1.00 0.00 C ATOM 704 CG ASP A 45 -27.383 7.670 4.957 1.00 0.00 C ATOM 705 OD1 ASP A 45 -26.668 7.541 3.933 1.00 0.00 O ATOM 706 OD2 ASP A 45 -28.624 7.818 4.964 1.00 0.00 O ATOM 0 H ASP A 45 -24.752 7.709 7.824 1.00 0.00 H new ATOM 0 HA ASP A 45 -25.455 9.228 5.513 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -26.024 6.766 6.370 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -27.393 7.570 7.113 1.00 0.00 H new ATOM 711 N LYS A 46 -26.655 10.229 8.380 1.00 0.00 N ATOM 712 CA LYS A 46 -27.136 11.427 9.051 1.00 0.00 C ATOM 713 C LYS A 46 -26.298 12.603 8.563 1.00 0.00 C ATOM 714 O LYS A 46 -26.804 13.384 7.762 1.00 0.00 O ATOM 715 CB LYS A 46 -27.071 11.265 10.578 1.00 0.00 C ATOM 716 CG LYS A 46 -27.618 12.474 11.335 1.00 0.00 C ATOM 717 CD LYS A 46 -27.328 12.471 12.841 1.00 0.00 C ATOM 718 CE LYS A 46 -27.904 11.303 13.633 1.00 0.00 C ATOM 719 NZ LYS A 46 -29.374 11.209 13.523 1.00 0.00 N ATOM 0 H LYS A 46 -26.316 9.513 9.023 1.00 0.00 H new ATOM 0 HA LYS A 46 -28.184 11.606 8.810 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -27.635 10.378 10.867 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -26.036 11.096 10.875 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -27.196 13.380 10.899 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -28.697 12.521 11.186 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -26.247 12.481 12.982 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -27.714 13.397 13.266 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -27.457 10.374 13.279 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -27.628 11.410 14.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -29.713 10.399 14.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -29.806 12.083 13.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -29.640 11.079 12.526 1.00 0.00 H new ATOM 733 N VAL A 47 -25.042 12.742 9.028 1.00 0.00 N ATOM 734 CA VAL A 47 -24.259 13.949 8.803 1.00 0.00 C ATOM 735 C VAL A 47 -24.079 14.289 7.326 1.00 0.00 C ATOM 736 O VAL A 47 -23.893 15.448 6.984 1.00 0.00 O ATOM 737 CB VAL A 47 -22.906 13.838 9.487 1.00 0.00 C ATOM 738 CG1 VAL A 47 -21.934 12.986 8.707 1.00 0.00 C ATOM 739 CG2 VAL A 47 -22.304 15.222 9.724 1.00 0.00 C ATOM 0 H VAL A 47 -24.555 12.023 9.563 1.00 0.00 H new ATOM 0 HA VAL A 47 -24.827 14.769 9.242 1.00 0.00 H new ATOM 0 HB VAL A 47 -23.081 13.349 10.445 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -20.984 12.939 9.239 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -22.339 11.980 8.598 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -21.777 13.423 7.721 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -21.336 15.119 10.214 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -22.174 15.731 8.769 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -22.972 15.805 10.358 1.00 0.00 H new ATOM 749 N MET A 48 -24.129 13.282 6.457 1.00 0.00 N ATOM 750 CA MET A 48 -24.175 13.458 5.025 1.00 0.00 C ATOM 751 C MET A 48 -25.280 14.446 4.686 1.00 0.00 C ATOM 752 O MET A 48 -24.976 15.526 4.203 1.00 0.00 O ATOM 753 CB MET A 48 -24.313 12.123 4.291 1.00 0.00 C ATOM 754 CG MET A 48 -24.762 12.312 2.836 1.00 0.00 C ATOM 755 SD MET A 48 -23.923 13.526 1.774 1.00 0.00 S ATOM 756 CE MET A 48 -22.198 13.153 2.115 1.00 0.00 C ATOM 0 H MET A 48 -24.138 12.303 6.745 1.00 0.00 H new ATOM 0 HA MET A 48 -23.229 13.873 4.677 1.00 0.00 H new ATOM 0 HB2 MET A 48 -23.358 11.598 4.311 1.00 0.00 H new ATOM 0 HB3 MET A 48 -25.033 11.494 4.814 1.00 0.00 H new ATOM 0 HG2 MET A 48 -24.683 11.342 2.344 1.00 0.00 H new ATOM 0 HG3 MET A 48 -25.820 12.575 2.855 1.00 0.00 H new ATOM 0 HE1 MET A 48 -21.568 13.618 1.356 1.00 0.00 H new ATOM 0 HE2 MET A 48 -21.929 13.541 3.097 1.00 0.00 H new ATOM 0 HE3 MET A 48 -22.049 12.073 2.098 1.00 0.00 H new ATOM 766 N ASN A 49 -26.538 14.128 4.995 1.00 0.00 N ATOM 767 CA ASN A 49 -27.648 15.038 4.751 1.00 0.00 C ATOM 768 C ASN A 49 -27.478 16.395 5.438 1.00 0.00 C ATOM 769 O ASN A 49 -28.084 17.374 5.006 1.00 0.00 O ATOM 770 CB ASN A 49 -28.921 14.359 5.266 1.00 0.00 C ATOM 771 CG ASN A 49 -30.191 15.201 5.175 1.00 0.00 C ATOM 772 OD1 ASN A 49 -30.472 15.844 4.168 1.00 0.00 O ATOM 773 ND2 ASN A 49 -30.985 15.186 6.243 1.00 0.00 N ATOM 0 H ASN A 49 -26.810 13.240 5.417 1.00 0.00 H new ATOM 0 HA ASN A 49 -27.696 15.242 3.681 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -29.074 13.438 4.704 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -28.766 14.076 6.307 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -31.855 15.719 6.239 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -30.724 14.642 7.065 1.00 0.00 H new ATOM 780 N MET A 50 -26.664 16.473 6.495 1.00 0.00 N ATOM 781 CA MET A 50 -26.488 17.670 7.267 1.00 0.00 C ATOM 782 C MET A 50 -25.488 18.587 6.539 1.00 0.00 C ATOM 783 O MET A 50 -25.886 19.619 6.020 1.00 0.00 O ATOM 784 CB MET A 50 -26.048 17.241 8.669 1.00 0.00 C ATOM 785 CG MET A 50 -26.913 16.214 9.375 1.00 0.00 C ATOM 786 SD MET A 50 -28.579 16.715 9.858 1.00 0.00 S ATOM 787 CE MET A 50 -28.501 16.164 11.580 1.00 0.00 C ATOM 0 H MET A 50 -26.108 15.686 6.829 1.00 0.00 H new ATOM 0 HA MET A 50 -27.403 18.253 7.374 1.00 0.00 H new ATOM 0 HB2 MET A 50 -25.036 16.842 8.600 1.00 0.00 H new ATOM 0 HB3 MET A 50 -25.998 18.131 9.296 1.00 0.00 H new ATOM 0 HG2 MET A 50 -26.999 15.343 8.725 1.00 0.00 H new ATOM 0 HG3 MET A 50 -26.386 15.891 10.273 1.00 0.00 H new ATOM 0 HE1 MET A 50 -29.479 15.794 11.888 1.00 0.00 H new ATOM 0 HE2 MET A 50 -27.765 15.366 11.674 1.00 0.00 H new ATOM 0 HE3 MET A 50 -28.213 17.000 12.217 1.00 0.00 H new ATOM 797 N GLN A 51 -24.213 18.188 6.430 1.00 0.00 N ATOM 798 CA GLN A 51 -23.129 18.839 5.669 1.00 0.00 C ATOM 799 C GLN A 51 -23.491 19.071 4.200 1.00 0.00 C ATOM 800 O GLN A 51 -22.859 19.895 3.540 1.00 0.00 O ATOM 801 CB GLN A 51 -21.856 17.965 5.856 1.00 0.00 C ATOM 802 CG GLN A 51 -20.868 17.754 4.700 1.00 0.00 C ATOM 803 CD GLN A 51 -21.422 17.018 3.486 1.00 0.00 C ATOM 804 OE1 GLN A 51 -21.045 17.312 2.358 1.00 0.00 O ATOM 805 NE2 GLN A 51 -22.304 16.051 3.697 1.00 0.00 N ATOM 0 H GLN A 51 -23.886 17.345 6.902 1.00 0.00 H new ATOM 0 HA GLN A 51 -22.949 19.844 6.051 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -21.292 18.394 6.684 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -22.190 16.978 6.176 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -20.502 18.728 4.376 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -20.008 17.200 5.077 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -22.599 15.829 4.648 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -22.687 15.529 2.909 1.00 0.00 H new ATOM 814 N ALA A 52 -24.513 18.373 3.697 1.00 0.00 N ATOM 815 CA ALA A 52 -25.027 18.496 2.363 1.00 0.00 C ATOM 816 C ALA A 52 -25.752 19.823 2.136 1.00 0.00 C ATOM 817 O ALA A 52 -26.092 20.088 0.981 1.00 0.00 O ATOM 818 CB ALA A 52 -25.920 17.298 2.039 1.00 0.00 C ATOM 0 H ALA A 52 -25.017 17.678 4.249 1.00 0.00 H new ATOM 0 HA ALA A 52 -24.181 18.498 1.675 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -26.307 17.397 1.025 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -25.339 16.379 2.118 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -26.751 17.263 2.743 1.00 0.00 H new ATOM 824 N LYS A 53 -25.958 20.673 3.166 1.00 0.00 N ATOM 825 CA LYS A 53 -26.378 22.045 2.902 1.00 0.00 C ATOM 826 C LYS A 53 -25.407 23.022 3.539 1.00 0.00 C ATOM 827 O LYS A 53 -24.707 22.687 4.494 1.00 0.00 O ATOM 828 CB LYS A 53 -27.834 22.272 3.321 1.00 0.00 C ATOM 829 CG LYS A 53 -28.091 22.185 4.832 1.00 0.00 C ATOM 830 CD LYS A 53 -28.506 20.786 5.268 1.00 0.00 C ATOM 831 CE LYS A 53 -29.969 20.480 4.932 1.00 0.00 C ATOM 832 NZ LYS A 53 -30.326 19.096 5.298 1.00 0.00 N ATOM 0 H LYS A 53 -25.842 20.435 4.151 1.00 0.00 H new ATOM 0 HA LYS A 53 -26.350 22.227 1.828 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -28.149 23.254 2.969 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -28.461 21.536 2.817 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -27.189 22.478 5.369 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -28.871 22.895 5.107 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -27.863 20.051 4.783 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -28.353 20.683 6.342 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -30.619 21.177 5.461 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -30.139 20.632 3.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -31.101 18.765 4.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -29.498 18.479 5.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -30.631 19.067 6.292 1.00 0.00 H new ATOM 846 N ALA A 54 -25.382 24.247 3.009 1.00 0.00 N ATOM 847 CA ALA A 54 -24.458 25.263 3.484 1.00 0.00 C ATOM 848 C ALA A 54 -24.832 25.798 4.862 1.00 0.00 C ATOM 849 O ALA A 54 -23.969 26.289 5.588 1.00 0.00 O ATOM 850 CB ALA A 54 -24.390 26.408 2.470 1.00 0.00 C ATOM 0 H ALA A 54 -25.993 24.553 2.252 1.00 0.00 H new ATOM 0 HA ALA A 54 -23.479 24.795 3.584 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -23.697 27.170 2.827 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -24.044 26.024 1.510 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -25.381 26.847 2.350 1.00 0.00 H new ATOM 856 N GLU A 55 -26.102 25.629 5.242 1.00 0.00 N ATOM 857 CA GLU A 55 -26.632 25.920 6.555 1.00 0.00 C ATOM 858 C GLU A 55 -25.887 25.142 7.649 1.00 0.00 C ATOM 859 O GLU A 55 -25.885 25.554 8.799 1.00 0.00 O ATOM 860 CB GLU A 55 -28.118 25.538 6.620 1.00 0.00 C ATOM 861 CG GLU A 55 -28.990 25.951 5.421 1.00 0.00 C ATOM 862 CD GLU A 55 -30.399 25.356 5.534 1.00 0.00 C ATOM 863 OE1 GLU A 55 -31.071 25.631 6.552 1.00 0.00 O ATOM 864 OE2 GLU A 55 -30.774 24.603 4.607 1.00 0.00 O ATOM 0 H GLU A 55 -26.812 25.268 4.605 1.00 0.00 H new ATOM 0 HA GLU A 55 -26.503 26.989 6.726 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -28.187 24.456 6.734 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -28.544 25.981 7.520 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -29.054 27.038 5.371 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -28.523 25.616 4.495 1.00 0.00 H new ATOM 871 N PHE A 56 -25.252 24.017 7.314 1.00 0.00 N ATOM 872 CA PHE A 56 -24.550 23.190 8.277 1.00 0.00 C ATOM 873 C PHE A 56 -23.263 23.841 8.755 1.00 0.00 C ATOM 874 O PHE A 56 -22.999 23.942 9.952 1.00 0.00 O ATOM 875 CB PHE A 56 -24.226 21.876 7.583 1.00 0.00 C ATOM 876 CG PHE A 56 -23.424 20.849 8.352 1.00 0.00 C ATOM 877 CD1 PHE A 56 -24.116 19.864 9.065 1.00 0.00 C ATOM 878 CD2 PHE A 56 -22.024 20.759 8.218 1.00 0.00 C ATOM 879 CE1 PHE A 56 -23.434 18.750 9.578 1.00 0.00 C ATOM 880 CE2 PHE A 56 -21.342 19.650 8.751 1.00 0.00 C ATOM 881 CZ PHE A 56 -22.052 18.638 9.411 1.00 0.00 C ATOM 0 H PHE A 56 -25.215 23.659 6.360 1.00 0.00 H new ATOM 0 HA PHE A 56 -25.178 23.043 9.156 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -25.167 21.413 7.288 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -23.683 22.107 6.666 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -25.180 19.961 9.221 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -21.477 21.538 7.708 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -23.978 17.979 10.102 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -20.269 19.578 8.651 1.00 0.00 H new ATOM 0 HZ PHE A 56 -21.531 17.772 9.790 1.00 0.00 H new ATOM 891 N TYR A 57 -22.440 24.226 7.781 1.00 0.00 N ATOM 892 CA TYR A 57 -21.132 24.796 8.071 1.00 0.00 C ATOM 893 C TYR A 57 -21.250 26.247 8.542 1.00 0.00 C ATOM 894 O TYR A 57 -20.430 26.715 9.333 1.00 0.00 O ATOM 895 CB TYR A 57 -20.198 24.636 6.856 1.00 0.00 C ATOM 896 CG TYR A 57 -20.435 25.534 5.654 1.00 0.00 C ATOM 897 CD1 TYR A 57 -20.058 26.892 5.700 1.00 0.00 C ATOM 898 CD2 TYR A 57 -20.939 24.992 4.455 1.00 0.00 C ATOM 899 CE1 TYR A 57 -20.227 27.718 4.576 1.00 0.00 C ATOM 900 CE2 TYR A 57 -21.080 25.805 3.316 1.00 0.00 C ATOM 901 CZ TYR A 57 -20.740 27.176 3.377 1.00 0.00 C ATOM 902 OH TYR A 57 -20.894 27.975 2.282 1.00 0.00 O ATOM 0 H TYR A 57 -22.658 24.153 6.787 1.00 0.00 H new ATOM 0 HA TYR A 57 -20.683 24.245 8.898 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -19.175 24.797 7.197 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -20.263 23.602 6.519 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -19.636 27.300 6.606 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -21.218 23.950 4.410 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -19.965 28.764 4.629 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -21.449 25.381 2.393 1.00 0.00 H new ATOM 0 HH TYR A 57 -21.257 27.447 1.540 1.00 0.00 H new ATOM 912 N SER A 58 -22.283 26.946 8.059 1.00 0.00 N ATOM 913 CA SER A 58 -22.548 28.340 8.376 1.00 0.00 C ATOM 914 C SER A 58 -23.247 28.465 9.734 1.00 0.00 C ATOM 915 O SER A 58 -22.909 29.362 10.510 1.00 0.00 O ATOM 916 CB SER A 58 -23.396 28.946 7.250 1.00 0.00 C ATOM 917 OG SER A 58 -23.566 30.335 7.442 1.00 0.00 O ATOM 0 H SER A 58 -22.970 26.542 7.422 1.00 0.00 H new ATOM 0 HA SER A 58 -21.609 28.888 8.451 1.00 0.00 H new ATOM 0 HB2 SER A 58 -22.916 28.763 6.289 1.00 0.00 H new ATOM 0 HB3 SER A 58 -24.370 28.457 7.218 1.00 0.00 H new ATOM 0 HG SER A 58 -24.108 30.702 6.713 1.00 0.00 H new ATOM 923 N GLU A 59 -24.199 27.569 10.035 1.00 0.00 N ATOM 924 CA GLU A 59 -25.129 27.712 11.144 1.00 0.00 C ATOM 925 C GLU A 59 -24.983 26.479 12.034 1.00 0.00 C ATOM 926 O GLU A 59 -25.128 25.343 11.587 1.00 0.00 O ATOM 927 CB GLU A 59 -26.587 27.958 10.693 1.00 0.00 C ATOM 928 CG GLU A 59 -26.826 28.472 9.255 1.00 0.00 C ATOM 929 CD GLU A 59 -27.948 29.506 9.191 1.00 0.00 C ATOM 930 OE1 GLU A 59 -29.109 29.112 9.441 1.00 0.00 O ATOM 931 OE2 GLU A 59 -27.628 30.679 8.894 1.00 0.00 O ATOM 0 H GLU A 59 -24.339 26.712 9.499 1.00 0.00 H new ATOM 0 HA GLU A 59 -24.879 28.609 11.711 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -27.134 27.022 10.808 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -27.033 28.675 11.382 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -25.906 28.912 8.871 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -27.072 27.631 8.607 1.00 0.00 H new ATOM 938 N VAL A 60 -24.627 26.729 13.293 1.00 0.00 N ATOM 939 CA VAL A 60 -24.158 25.751 14.260 1.00 0.00 C ATOM 940 C VAL A 60 -25.064 24.525 14.411 1.00 0.00 C ATOM 941 O VAL A 60 -26.286 24.612 14.301 1.00 0.00 O ATOM 942 CB VAL A 60 -23.879 26.505 15.570 1.00 0.00 C ATOM 943 CG1 VAL A 60 -25.147 27.084 16.220 1.00 0.00 C ATOM 944 CG2 VAL A 60 -23.084 25.682 16.557 1.00 0.00 C ATOM 0 H VAL A 60 -24.662 27.671 13.682 1.00 0.00 H new ATOM 0 HA VAL A 60 -23.236 25.294 13.901 1.00 0.00 H new ATOM 0 HB VAL A 60 -23.260 27.355 15.282 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -24.879 27.603 17.140 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -25.621 27.785 15.533 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -25.841 26.275 16.448 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -22.916 26.263 17.464 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -23.637 24.776 16.804 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -22.124 25.412 16.116 1.00 0.00 H new ATOM 954 N LEU A 61 -24.431 23.377 14.686 1.00 0.00 N ATOM 955 CA LEU A 61 -25.052 22.084 14.853 1.00 0.00 C ATOM 956 C LEU A 61 -24.949 21.712 16.334 1.00 0.00 C ATOM 957 O LEU A 61 -24.052 22.197 17.023 1.00 0.00 O ATOM 958 CB LEU A 61 -24.264 21.059 14.030 1.00 0.00 C ATOM 959 CG LEU A 61 -23.826 21.461 12.601 1.00 0.00 C ATOM 960 CD1 LEU A 61 -22.903 20.370 12.065 1.00 0.00 C ATOM 961 CD2 LEU A 61 -24.951 21.698 11.581 1.00 0.00 C ATOM 0 H LEU A 61 -23.418 23.338 14.801 1.00 0.00 H new ATOM 0 HA LEU A 61 -26.093 22.101 14.529 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -23.368 20.796 14.593 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -24.869 20.156 13.953 1.00 0.00 H new ATOM 0 HG LEU A 61 -23.341 22.431 12.709 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -22.580 20.630 11.057 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -22.032 20.279 12.714 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -23.438 19.420 12.041 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -24.518 21.973 10.619 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -25.537 20.786 11.467 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -25.597 22.503 11.932 1.00 0.00 H new ATOM 973 N THR A 62 -25.811 20.808 16.814 1.00 0.00 N ATOM 974 CA THR A 62 -25.813 20.402 18.213 1.00 0.00 C ATOM 975 C THR A 62 -25.452 18.918 18.301 1.00 0.00 C ATOM 976 O THR A 62 -26.298 18.066 18.057 1.00 0.00 O ATOM 977 CB THR A 62 -27.168 20.718 18.855 1.00 0.00 C ATOM 978 OG1 THR A 62 -27.596 22.038 18.568 1.00 0.00 O ATOM 979 CG2 THR A 62 -27.087 20.561 20.371 1.00 0.00 C ATOM 0 H THR A 62 -26.519 20.344 16.244 1.00 0.00 H new ATOM 0 HA THR A 62 -25.065 20.963 18.773 1.00 0.00 H new ATOM 0 HB THR A 62 -27.886 20.014 18.435 1.00 0.00 H new ATOM 0 HG1 THR A 62 -28.527 22.150 18.854 1.00 0.00 H new ATOM 0 HG21 THR A 62 -28.057 20.789 20.813 1.00 0.00 H new ATOM 0 HG22 THR A 62 -26.808 19.536 20.616 1.00 0.00 H new ATOM 0 HG23 THR A 62 -26.338 21.246 20.768 1.00 0.00 H new ATOM 987 N ILE A 63 -24.197 18.584 18.602 1.00 0.00 N ATOM 988 CA ILE A 63 -23.775 17.205 18.754 1.00 0.00 C ATOM 989 C ILE A 63 -24.255 16.687 20.102 1.00 0.00 C ATOM 990 O ILE A 63 -23.760 17.108 21.141 1.00 0.00 O ATOM 991 CB ILE A 63 -22.250 17.033 18.650 1.00 0.00 C ATOM 992 CG1 ILE A 63 -21.537 17.898 17.609 1.00 0.00 C ATOM 993 CG2 ILE A 63 -21.927 15.559 18.418 1.00 0.00 C ATOM 994 CD1 ILE A 63 -22.153 17.987 16.223 1.00 0.00 C ATOM 0 H ILE A 63 -23.451 19.265 18.746 1.00 0.00 H new ATOM 0 HA ILE A 63 -24.216 16.634 17.937 1.00 0.00 H new ATOM 0 HB ILE A 63 -21.859 17.392 19.602 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -21.462 18.910 18.008 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -20.520 17.522 17.500 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -20.847 15.431 18.343 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -22.306 14.968 19.252 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -22.397 15.225 17.493 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -21.541 18.633 15.594 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -22.202 16.991 15.782 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -23.159 18.401 16.298 1.00 0.00 H new ATOM 1006 N VAL A 64 -25.212 15.768 20.076 1.00 0.00 N ATOM 1007 CA VAL A 64 -25.819 15.197 21.264 1.00 0.00 C ATOM 1008 C VAL A 64 -25.072 13.900 21.577 1.00 0.00 C ATOM 1009 O VAL A 64 -25.501 12.824 21.169 1.00 0.00 O ATOM 1010 CB VAL A 64 -27.336 15.077 21.056 1.00 0.00 C ATOM 1011 CG1 VAL A 64 -28.066 14.502 22.264 1.00 0.00 C ATOM 1012 CG2 VAL A 64 -27.927 16.465 20.797 1.00 0.00 C ATOM 0 H VAL A 64 -25.594 15.393 19.208 1.00 0.00 H new ATOM 0 HA VAL A 64 -25.723 15.826 22.149 1.00 0.00 H new ATOM 0 HB VAL A 64 -27.472 14.401 20.212 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -29.133 14.444 22.051 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -27.684 13.504 22.479 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -27.903 15.146 23.128 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -29.004 16.380 20.649 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -27.728 17.111 21.652 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -27.471 16.894 19.905 1.00 0.00 H new ATOM 1022 N VAL A 65 -23.916 14.029 22.245 1.00 0.00 N ATOM 1023 CA VAL A 65 -23.038 12.935 22.645 1.00 0.00 C ATOM 1024 C VAL A 65 -23.686 12.202 23.814 1.00 0.00 C ATOM 1025 O VAL A 65 -23.597 12.643 24.960 1.00 0.00 O ATOM 1026 CB VAL A 65 -21.586 13.399 22.911 1.00 0.00 C ATOM 1027 CG1 VAL A 65 -21.016 14.061 21.661 1.00 0.00 C ATOM 1028 CG2 VAL A 65 -21.381 14.380 24.069 1.00 0.00 C ATOM 0 H VAL A 65 -23.558 14.941 22.530 1.00 0.00 H new ATOM 0 HA VAL A 65 -22.928 12.230 21.821 1.00 0.00 H new ATOM 0 HB VAL A 65 -21.074 12.478 23.191 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -19.994 14.385 21.855 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -21.020 13.347 20.837 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -21.626 14.924 21.396 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -20.323 14.628 24.153 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -21.953 15.289 23.882 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -21.721 13.922 24.998 1.00 0.00 H new ATOM 1038 N ASP A 66 -24.392 11.105 23.511 1.00 0.00 N ATOM 1039 CA ASP A 66 -25.095 10.287 24.500 1.00 0.00 C ATOM 1040 C ASP A 66 -26.085 11.117 25.351 1.00 0.00 C ATOM 1041 O ASP A 66 -26.356 10.791 26.505 1.00 0.00 O ATOM 1042 CB ASP A 66 -24.044 9.501 25.311 1.00 0.00 C ATOM 1043 CG ASP A 66 -24.644 8.410 26.204 1.00 0.00 C ATOM 1044 OD1 ASP A 66 -25.512 7.663 25.700 1.00 0.00 O ATOM 1045 OD2 ASP A 66 -24.197 8.321 27.370 1.00 0.00 O ATOM 0 H ASP A 66 -24.490 10.758 22.557 1.00 0.00 H new ATOM 0 HA ASP A 66 -25.741 9.562 24.005 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -23.334 9.044 24.622 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -23.482 10.198 25.932 1.00 0.00 H new ATOM 1050 N GLY A 67 -26.611 12.217 24.783 1.00 0.00 N ATOM 1051 CA GLY A 67 -27.568 13.107 25.435 1.00 0.00 C ATOM 1052 C GLY A 67 -26.988 14.455 25.882 1.00 0.00 C ATOM 1053 O GLY A 67 -27.744 15.277 26.395 1.00 0.00 O ATOM 0 H GLY A 67 -26.372 12.512 23.836 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -28.396 13.292 24.751 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -27.982 12.598 26.306 1.00 0.00 H new ATOM 1057 N LYS A 68 -25.682 14.706 25.699 1.00 0.00 N ATOM 1058 CA LYS A 68 -25.032 15.966 26.070 1.00 0.00 C ATOM 1059 C LYS A 68 -24.871 16.796 24.815 1.00 0.00 C ATOM 1060 O LYS A 68 -24.300 16.317 23.848 1.00 0.00 O ATOM 1061 CB LYS A 68 -23.661 15.691 26.688 1.00 0.00 C ATOM 1062 CG LYS A 68 -23.802 15.120 28.101 1.00 0.00 C ATOM 1063 CD LYS A 68 -22.706 14.100 28.439 1.00 0.00 C ATOM 1064 CE LYS A 68 -21.307 14.724 28.371 1.00 0.00 C ATOM 1065 NZ LYS A 68 -20.258 13.728 28.663 1.00 0.00 N ATOM 0 H LYS A 68 -25.042 14.029 25.284 1.00 0.00 H new ATOM 0 HA LYS A 68 -25.638 16.498 26.804 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -23.110 14.990 26.062 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -23.081 16.613 26.721 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -23.769 15.936 28.823 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -24.778 14.645 28.201 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -22.877 13.700 29.438 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -22.764 13.261 27.746 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -21.143 15.147 27.380 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -21.239 15.546 29.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -19.324 14.182 28.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -20.401 13.343 29.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -20.309 12.956 27.968 1.00 0.00 H new ATOM 1079 N GLU A 69 -25.386 18.021 24.829 1.00 0.00 N ATOM 1080 CA GLU A 69 -25.708 18.777 23.625 1.00 0.00 C ATOM 1081 C GLU A 69 -24.647 19.853 23.356 1.00 0.00 C ATOM 1082 O GLU A 69 -24.561 20.824 24.108 1.00 0.00 O ATOM 1083 CB GLU A 69 -27.120 19.354 23.798 1.00 0.00 C ATOM 1084 CG GLU A 69 -28.130 18.273 24.217 1.00 0.00 C ATOM 1085 CD GLU A 69 -29.562 18.700 23.896 1.00 0.00 C ATOM 1086 OE1 GLU A 69 -29.975 18.476 22.736 1.00 0.00 O ATOM 1087 OE2 GLU A 69 -30.212 19.263 24.804 1.00 0.00 O ATOM 0 H GLU A 69 -25.595 18.524 25.691 1.00 0.00 H new ATOM 0 HA GLU A 69 -25.699 18.134 22.745 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -27.101 20.144 24.549 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -27.443 19.811 22.863 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -27.902 17.340 23.702 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -28.037 18.079 25.285 1.00 0.00 H new ATOM 1094 N ILE A 70 -23.805 19.661 22.323 1.00 0.00 N ATOM 1095 CA ILE A 70 -22.581 20.449 22.128 1.00 0.00 C ATOM 1096 C ILE A 70 -22.726 21.291 20.858 1.00 0.00 C ATOM 1097 O ILE A 70 -22.968 20.745 19.787 1.00 0.00 O ATOM 1098 CB ILE A 70 -21.336 19.524 22.077 1.00 0.00 C ATOM 1099 CG1 ILE A 70 -20.828 19.057 23.456 1.00 0.00 C ATOM 1100 CG2 ILE A 70 -20.173 20.232 21.388 1.00 0.00 C ATOM 1101 CD1 ILE A 70 -21.774 18.061 24.103 1.00 0.00 C ATOM 0 H ILE A 70 -23.957 18.955 21.603 1.00 0.00 H new ATOM 0 HA ILE A 70 -22.435 21.123 22.972 1.00 0.00 H new ATOM 0 HB ILE A 70 -21.672 18.646 21.525 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -19.844 18.602 23.345 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -20.708 19.921 24.110 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -19.308 19.569 21.361 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -20.460 20.496 20.370 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -19.919 21.137 21.940 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -21.377 17.759 25.072 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -22.752 18.523 24.239 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -21.873 17.185 23.463 1.00 0.00 H new ATOM 1113 N LYS A 71 -22.515 22.608 20.954 1.00 0.00 N ATOM 1114 CA LYS A 71 -22.551 23.498 19.809 1.00 0.00 C ATOM 1115 C LYS A 71 -21.222 23.489 19.101 1.00 0.00 C ATOM 1116 O LYS A 71 -20.194 23.758 19.718 1.00 0.00 O ATOM 1117 CB LYS A 71 -22.959 24.925 20.215 1.00 0.00 C ATOM 1118 CG LYS A 71 -24.467 25.062 20.488 1.00 0.00 C ATOM 1119 CD LYS A 71 -25.291 24.404 19.369 1.00 0.00 C ATOM 1120 CE LYS A 71 -26.520 25.170 18.924 1.00 0.00 C ATOM 1121 NZ LYS A 71 -27.683 24.890 19.785 1.00 0.00 N ATOM 0 H LYS A 71 -22.314 23.080 21.836 1.00 0.00 H new ATOM 0 HA LYS A 71 -23.312 23.133 19.119 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -22.405 25.216 21.108 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -22.674 25.618 19.424 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -24.711 24.599 21.444 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -24.732 26.116 20.568 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -24.644 24.257 18.504 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -25.603 23.415 19.706 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -26.307 26.239 18.938 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -26.759 24.906 17.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -28.463 25.531 19.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -27.987 23.905 19.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -27.421 25.037 20.781 1.00 0.00 H new ATOM 1135 N VAL A 72 -21.275 23.184 17.797 1.00 0.00 N ATOM 1136 CA VAL A 72 -20.136 23.189 16.892 1.00 0.00 C ATOM 1137 C VAL A 72 -20.562 23.434 15.451 1.00 0.00 C ATOM 1138 O VAL A 72 -21.714 23.205 15.104 1.00 0.00 O ATOM 1139 CB VAL A 72 -19.403 21.850 16.944 1.00 0.00 C ATOM 1140 CG1 VAL A 72 -18.896 21.508 18.316 1.00 0.00 C ATOM 1141 CG2 VAL A 72 -20.300 20.710 16.457 1.00 0.00 C ATOM 0 H VAL A 72 -22.145 22.919 17.336 1.00 0.00 H new ATOM 0 HA VAL A 72 -19.481 23.997 17.218 1.00 0.00 H new ATOM 0 HB VAL A 72 -18.544 21.963 16.283 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -18.385 20.546 18.286 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -18.200 22.278 18.649 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -19.734 21.452 19.010 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -19.751 19.769 16.505 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -21.185 20.647 17.091 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -20.604 20.900 15.428 1.00 0.00 H new ATOM 1151 N LYS A 73 -19.625 23.818 14.584 1.00 0.00 N ATOM 1152 CA LYS A 73 -19.921 24.092 13.180 1.00 0.00 C ATOM 1153 C LYS A 73 -18.729 23.738 12.314 1.00 0.00 C ATOM 1154 O LYS A 73 -17.587 23.914 12.722 1.00 0.00 O ATOM 1155 CB LYS A 73 -20.345 25.554 12.991 1.00 0.00 C ATOM 1156 CG LYS A 73 -19.565 26.572 13.825 1.00 0.00 C ATOM 1157 CD LYS A 73 -20.228 27.947 13.798 1.00 0.00 C ATOM 1158 CE LYS A 73 -19.954 28.620 12.444 1.00 0.00 C ATOM 1159 NZ LYS A 73 -20.695 29.883 12.274 1.00 0.00 N ATOM 0 H LYS A 73 -18.645 23.947 14.834 1.00 0.00 H new ATOM 0 HA LYS A 73 -20.758 23.468 12.867 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -20.238 25.813 11.938 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -21.404 25.643 13.235 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -19.494 26.222 14.855 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -18.547 26.651 13.445 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -21.302 27.848 13.957 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -19.842 28.565 14.608 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -18.886 28.815 12.350 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -20.225 27.934 11.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -20.064 30.604 11.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -21.500 29.730 11.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -21.044 30.208 13.198 1.00 0.00 H new ATOM 1173 N ALA A 74 -19.016 23.201 11.129 1.00 0.00 N ATOM 1174 CA ALA A 74 -18.017 22.611 10.261 1.00 0.00 C ATOM 1175 C ALA A 74 -17.066 23.659 9.700 1.00 0.00 C ATOM 1176 O ALA A 74 -17.518 24.631 9.096 1.00 0.00 O ATOM 1177 CB ALA A 74 -18.730 21.886 9.131 1.00 0.00 C ATOM 0 H ALA A 74 -19.961 23.167 10.747 1.00 0.00 H new ATOM 0 HA ALA A 74 -17.414 21.912 10.840 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -17.993 21.435 8.466 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -19.370 21.107 9.545 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -19.338 22.596 8.570 1.00 0.00 H new ATOM 1183 N GLN A 75 -15.760 23.405 9.845 1.00 0.00 N ATOM 1184 CA GLN A 75 -14.708 24.143 9.152 1.00 0.00 C ATOM 1185 C GLN A 75 -13.926 23.243 8.184 1.00 0.00 C ATOM 1186 O GLN A 75 -13.286 23.774 7.277 1.00 0.00 O ATOM 1187 CB GLN A 75 -13.770 24.832 10.158 1.00 0.00 C ATOM 1188 CG GLN A 75 -14.099 26.316 10.430 1.00 0.00 C ATOM 1189 CD GLN A 75 -15.576 26.637 10.671 1.00 0.00 C ATOM 1190 OE1 GLN A 75 -16.150 26.307 11.702 1.00 0.00 O ATOM 1191 NE2 GLN A 75 -16.212 27.319 9.724 1.00 0.00 N ATOM 0 H GLN A 75 -15.404 22.670 10.456 1.00 0.00 H new ATOM 0 HA GLN A 75 -15.187 24.917 8.553 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -13.806 24.287 11.101 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -12.747 24.762 9.788 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -13.529 26.641 11.300 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -13.752 26.907 9.582 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -15.721 27.587 8.871 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -17.191 27.575 9.850 1.00 0.00 H new ATOM 1200 N ASP A 76 -13.992 21.909 8.334 1.00 0.00 N ATOM 1201 CA ASP A 76 -13.284 20.963 7.478 1.00 0.00 C ATOM 1202 C ASP A 76 -14.100 19.668 7.448 1.00 0.00 C ATOM 1203 O ASP A 76 -14.059 18.875 8.381 1.00 0.00 O ATOM 1204 CB ASP A 76 -11.832 20.788 7.983 1.00 0.00 C ATOM 1205 CG ASP A 76 -10.944 19.842 7.163 1.00 0.00 C ATOM 1206 OD1 ASP A 76 -11.413 19.335 6.120 1.00 0.00 O ATOM 1207 OD2 ASP A 76 -9.776 19.671 7.588 1.00 0.00 O ATOM 0 H ASP A 76 -14.546 21.460 9.063 1.00 0.00 H new ATOM 0 HA ASP A 76 -13.192 21.320 6.452 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -11.357 21.769 8.009 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -11.867 20.423 9.009 1.00 0.00 H new ATOM 1212 N VAL A 77 -14.900 19.476 6.395 1.00 0.00 N ATOM 1213 CA VAL A 77 -15.443 18.170 6.032 1.00 0.00 C ATOM 1214 C VAL A 77 -14.502 17.572 4.972 1.00 0.00 C ATOM 1215 O VAL A 77 -13.976 18.280 4.112 1.00 0.00 O ATOM 1216 CB VAL A 77 -16.910 18.266 5.546 1.00 0.00 C ATOM 1217 CG1 VAL A 77 -17.892 18.820 6.591 1.00 0.00 C ATOM 1218 CG2 VAL A 77 -17.057 19.151 4.318 1.00 0.00 C ATOM 0 H VAL A 77 -15.189 20.228 5.769 1.00 0.00 H new ATOM 0 HA VAL A 77 -15.485 17.515 6.902 1.00 0.00 H new ATOM 0 HB VAL A 77 -17.160 17.228 5.326 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -18.895 18.853 6.166 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -17.891 18.175 7.470 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -17.587 19.826 6.879 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -18.104 19.185 4.017 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -16.714 20.159 4.552 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -16.459 18.744 3.503 1.00 0.00 H new ATOM 1228 N GLN A 78 -14.334 16.252 5.017 1.00 0.00 N ATOM 1229 CA GLN A 78 -13.473 15.460 4.147 1.00 0.00 C ATOM 1230 C GLN A 78 -14.392 14.520 3.372 1.00 0.00 C ATOM 1231 O GLN A 78 -15.042 13.654 3.956 1.00 0.00 O ATOM 1232 CB GLN A 78 -12.403 14.694 4.952 1.00 0.00 C ATOM 1233 CG GLN A 78 -11.383 15.620 5.638 1.00 0.00 C ATOM 1234 CD GLN A 78 -10.440 14.864 6.581 1.00 0.00 C ATOM 1235 OE1 GLN A 78 -10.434 15.113 7.780 1.00 0.00 O ATOM 1236 NE2 GLN A 78 -9.642 13.924 6.073 1.00 0.00 N ATOM 0 H GLN A 78 -14.824 15.676 5.701 1.00 0.00 H new ATOM 0 HA GLN A 78 -12.914 16.098 3.463 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -12.895 14.082 5.708 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -11.875 14.012 4.285 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -10.795 16.133 4.877 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -11.915 16.387 6.201 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -9.658 13.728 5.072 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -9.016 13.401 6.685 1.00 0.00 H new ATOM 1245 N ARG A 79 -14.494 14.748 2.060 1.00 0.00 N ATOM 1246 CA ARG A 79 -15.360 14.008 1.147 1.00 0.00 C ATOM 1247 C ARG A 79 -14.703 12.694 0.720 1.00 0.00 C ATOM 1248 O ARG A 79 -13.490 12.528 0.846 1.00 0.00 O ATOM 1249 CB ARG A 79 -15.628 14.878 -0.095 1.00 0.00 C ATOM 1250 CG ARG A 79 -16.517 16.098 0.191 1.00 0.00 C ATOM 1251 CD ARG A 79 -17.991 15.689 0.323 1.00 0.00 C ATOM 1252 NE ARG A 79 -18.873 16.842 0.557 1.00 0.00 N ATOM 1253 CZ ARG A 79 -19.251 17.775 -0.334 1.00 0.00 C ATOM 1254 NH1 ARG A 79 -18.767 17.790 -1.581 1.00 0.00 N ATOM 1255 NH2 ARG A 79 -20.138 18.700 0.040 1.00 0.00 N ATOM 0 H ARG A 79 -13.957 15.478 1.591 1.00 0.00 H new ATOM 0 HA ARG A 79 -16.296 13.773 1.654 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -14.676 15.219 -0.502 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -16.101 14.266 -0.862 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -16.188 16.585 1.109 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -16.409 16.827 -0.612 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -18.305 15.173 -0.584 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -18.097 14.981 1.145 1.00 0.00 H new ATOM 0 HE ARG A 79 -19.240 16.946 1.503 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -18.094 17.082 -1.876 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -19.071 18.509 -2.237 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -20.516 18.690 0.987 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -20.437 19.416 -0.621 1.00 0.00 H new ATOM 1269 N HIS A 80 -15.506 11.786 0.151 1.00 0.00 N ATOM 1270 CA HIS A 80 -15.010 10.667 -0.634 1.00 0.00 C ATOM 1271 C HIS A 80 -14.388 11.162 -1.955 1.00 0.00 C ATOM 1272 O HIS A 80 -14.680 12.275 -2.398 1.00 0.00 O ATOM 1273 CB HIS A 80 -16.167 9.698 -0.908 1.00 0.00 C ATOM 1274 CG HIS A 80 -16.094 8.424 -0.103 1.00 0.00 C ATOM 1275 ND1 HIS A 80 -16.083 8.318 1.270 1.00 0.00 N ATOM 1276 CD2 HIS A 80 -16.097 7.152 -0.612 1.00 0.00 C ATOM 1277 CE1 HIS A 80 -16.072 7.009 1.573 1.00 0.00 C ATOM 1278 NE2 HIS A 80 -16.083 6.260 0.459 1.00 0.00 N ATOM 0 H HIS A 80 -16.523 11.814 0.227 1.00 0.00 H new ATOM 0 HA HIS A 80 -14.230 10.150 -0.075 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -17.110 10.201 -0.691 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -16.176 9.447 -1.969 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -16.108 6.887 -1.659 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -16.056 6.613 2.578 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -16.081 5.241 0.407 1.00 0.00 H new ATOM 1286 N PRO A 81 -13.564 10.328 -2.616 1.00 0.00 N ATOM 1287 CA PRO A 81 -12.803 10.706 -3.802 1.00 0.00 C ATOM 1288 C PRO A 81 -13.613 10.593 -5.103 1.00 0.00 C ATOM 1289 O PRO A 81 -13.291 11.284 -6.068 1.00 0.00 O ATOM 1290 CB PRO A 81 -11.618 9.736 -3.809 1.00 0.00 C ATOM 1291 CG PRO A 81 -12.205 8.456 -3.211 1.00 0.00 C ATOM 1292 CD PRO A 81 -13.227 8.976 -2.200 1.00 0.00 C ATOM 0 HA PRO A 81 -12.505 11.754 -3.760 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -11.239 9.571 -4.818 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -10.786 10.113 -3.214 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -12.674 7.834 -3.974 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -11.438 7.848 -2.731 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -14.114 8.342 -2.183 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -12.813 8.972 -1.192 1.00 0.00 H new ATOM 1300 N TYR A 82 -14.639 9.727 -5.142 1.00 0.00 N ATOM 1301 CA TYR A 82 -15.445 9.464 -6.336 1.00 0.00 C ATOM 1302 C TYR A 82 -16.902 9.105 -6.001 1.00 0.00 C ATOM 1303 O TYR A 82 -17.645 8.668 -6.880 1.00 0.00 O ATOM 1304 CB TYR A 82 -14.763 8.384 -7.202 1.00 0.00 C ATOM 1305 CG TYR A 82 -14.583 8.812 -8.647 1.00 0.00 C ATOM 1306 CD1 TYR A 82 -15.622 8.630 -9.581 1.00 0.00 C ATOM 1307 CD2 TYR A 82 -13.382 9.430 -9.047 1.00 0.00 C ATOM 1308 CE1 TYR A 82 -15.459 9.058 -10.912 1.00 0.00 C ATOM 1309 CE2 TYR A 82 -13.210 9.857 -10.375 1.00 0.00 C ATOM 1310 CZ TYR A 82 -14.251 9.671 -11.315 1.00 0.00 C ATOM 1311 OH TYR A 82 -14.097 10.086 -12.605 1.00 0.00 O ATOM 0 H TYR A 82 -14.933 9.184 -4.330 1.00 0.00 H new ATOM 0 HA TYR A 82 -15.500 10.387 -6.914 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -13.789 8.145 -6.775 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -15.358 7.471 -7.170 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -16.546 8.161 -9.275 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -12.589 9.577 -8.329 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -16.257 8.918 -11.626 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -12.285 10.326 -10.677 1.00 0.00 H new ATOM 0 HH TYR A 82 -13.210 10.487 -12.716 1.00 0.00 H new ATOM 1321 N LYS A 83 -17.317 9.284 -4.740 1.00 0.00 N ATOM 1322 CA LYS A 83 -18.687 9.102 -4.273 1.00 0.00 C ATOM 1323 C LYS A 83 -19.164 10.403 -3.617 1.00 0.00 C ATOM 1324 O LYS A 83 -18.335 11.154 -3.096 1.00 0.00 O ATOM 1325 CB LYS A 83 -18.764 7.971 -3.230 1.00 0.00 C ATOM 1326 CG LYS A 83 -18.921 6.550 -3.775 1.00 0.00 C ATOM 1327 CD LYS A 83 -17.668 5.962 -4.431 1.00 0.00 C ATOM 1328 CE LYS A 83 -17.884 4.452 -4.552 1.00 0.00 C ATOM 1329 NZ LYS A 83 -16.783 3.791 -5.279 1.00 0.00 N ATOM 0 H LYS A 83 -16.681 9.570 -3.995 1.00 0.00 H new ATOM 0 HA LYS A 83 -19.315 8.842 -5.125 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -17.860 8.005 -2.622 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -19.603 8.176 -2.565 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -19.225 5.896 -2.958 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -19.730 6.545 -4.505 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -17.503 6.407 -5.413 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -16.783 6.177 -3.831 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -17.973 4.018 -3.556 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -18.825 4.261 -5.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -16.970 2.770 -5.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -16.714 4.186 -6.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -15.888 3.951 -4.774 1.00 0.00 H new ATOM 1343 N PRO A 84 -20.489 10.629 -3.532 1.00 0.00 N ATOM 1344 CA PRO A 84 -21.089 11.676 -2.714 1.00 0.00 C ATOM 1345 C PRO A 84 -21.118 11.231 -1.237 1.00 0.00 C ATOM 1346 O PRO A 84 -22.180 11.179 -0.615 1.00 0.00 O ATOM 1347 CB PRO A 84 -22.480 11.870 -3.333 1.00 0.00 C ATOM 1348 CG PRO A 84 -22.866 10.453 -3.754 1.00 0.00 C ATOM 1349 CD PRO A 84 -21.531 9.852 -4.196 1.00 0.00 C ATOM 0 HA PRO A 84 -20.540 12.617 -2.706 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -23.187 12.285 -2.615 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -22.452 12.551 -4.184 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -23.308 9.893 -2.930 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -23.595 10.457 -4.564 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -21.468 8.800 -3.918 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -21.422 9.902 -5.279 1.00 0.00 H new ATOM 1357 N LYS A 85 -19.952 10.862 -0.684 1.00 0.00 N ATOM 1358 CA LYS A 85 -19.807 10.330 0.667 1.00 0.00 C ATOM 1359 C LYS A 85 -18.760 11.154 1.427 1.00 0.00 C ATOM 1360 O LYS A 85 -18.275 12.171 0.926 1.00 0.00 O ATOM 1361 CB LYS A 85 -19.503 8.817 0.587 1.00 0.00 C ATOM 1362 CG LYS A 85 -20.693 7.966 0.115 1.00 0.00 C ATOM 1363 CD LYS A 85 -21.789 7.836 1.180 1.00 0.00 C ATOM 1364 CE LYS A 85 -22.951 6.969 0.688 1.00 0.00 C ATOM 1365 NZ LYS A 85 -24.024 6.867 1.702 1.00 0.00 N ATOM 0 H LYS A 85 -19.065 10.930 -1.183 1.00 0.00 H new ATOM 0 HA LYS A 85 -20.731 10.422 1.238 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -18.665 8.660 -0.092 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -19.186 8.468 1.570 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -21.118 8.411 -0.785 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -20.338 6.972 -0.158 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -21.367 7.401 2.086 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -22.160 8.826 1.445 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -23.357 7.392 -0.231 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -22.584 5.972 0.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -24.794 6.273 1.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -23.642 6.440 2.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -24.391 7.816 1.915 1.00 0.00 H new ATOM 1379 N LEU A 86 -18.453 10.741 2.659 1.00 0.00 N ATOM 1380 CA LEU A 86 -17.554 11.418 3.585 1.00 0.00 C ATOM 1381 C LEU A 86 -16.524 10.402 4.072 1.00 0.00 C ATOM 1382 O LEU A 86 -16.744 9.193 4.009 1.00 0.00 O ATOM 1383 CB LEU A 86 -18.343 12.002 4.779 1.00 0.00 C ATOM 1384 CG LEU A 86 -19.359 13.097 4.393 1.00 0.00 C ATOM 1385 CD1 LEU A 86 -20.500 13.192 5.411 1.00 0.00 C ATOM 1386 CD2 LEU A 86 -18.747 14.488 4.248 1.00 0.00 C ATOM 0 H LEU A 86 -18.845 9.885 3.052 1.00 0.00 H new ATOM 0 HA LEU A 86 -17.055 12.247 3.082 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -18.872 11.192 5.281 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -17.637 12.415 5.499 1.00 0.00 H new ATOM 0 HG LEU A 86 -19.733 12.784 3.418 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -21.196 13.974 5.106 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -21.025 12.238 5.459 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -20.092 13.432 6.393 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -19.525 15.201 3.975 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -18.296 14.787 5.194 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -17.983 14.470 3.471 1.00 0.00 H new ATOM 1398 N GLN A 87 -15.405 10.913 4.577 1.00 0.00 N ATOM 1399 CA GLN A 87 -14.341 10.151 5.208 1.00 0.00 C ATOM 1400 C GLN A 87 -14.098 10.642 6.638 1.00 0.00 C ATOM 1401 O GLN A 87 -13.647 9.847 7.460 1.00 0.00 O ATOM 1402 CB GLN A 87 -13.069 10.241 4.346 1.00 0.00 C ATOM 1403 CG GLN A 87 -13.273 9.533 2.995 1.00 0.00 C ATOM 1404 CD GLN A 87 -11.968 9.237 2.256 1.00 0.00 C ATOM 1405 OE1 GLN A 87 -11.728 9.761 1.173 1.00 0.00 O ATOM 1406 NE2 GLN A 87 -11.130 8.363 2.814 1.00 0.00 N ATOM 0 H GLN A 87 -15.210 11.914 4.555 1.00 0.00 H new ATOM 0 HA GLN A 87 -14.634 9.103 5.278 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -12.811 11.287 4.178 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -12.232 9.787 4.877 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -13.807 8.597 3.162 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -13.907 10.153 2.361 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -11.357 7.944 3.716 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -10.262 8.114 2.339 1.00 0.00 H new ATOM 1415 N HIS A 88 -14.431 11.908 6.942 1.00 0.00 N ATOM 1416 CA HIS A 88 -14.248 12.547 8.248 1.00 0.00 C ATOM 1417 C HIS A 88 -14.792 13.963 8.220 1.00 0.00 C ATOM 1418 O HIS A 88 -14.947 14.548 7.149 1.00 0.00 O ATOM 1419 CB HIS A 88 -12.774 12.579 8.641 1.00 0.00 C ATOM 1420 CG HIS A 88 -12.507 13.226 9.972 1.00 0.00 C ATOM 1421 ND1 HIS A 88 -11.824 14.396 10.177 1.00 0.00 N ATOM 1422 CD2 HIS A 88 -12.833 12.715 11.198 1.00 0.00 C ATOM 1423 CE1 HIS A 88 -11.708 14.555 11.503 1.00 0.00 C ATOM 1424 NE2 HIS A 88 -12.316 13.566 12.173 1.00 0.00 N ATOM 0 H HIS A 88 -14.851 12.535 6.256 1.00 0.00 H new ATOM 0 HA HIS A 88 -14.794 11.960 8.986 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -12.393 11.558 8.662 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -12.215 13.112 7.872 1.00 0.00 H new ATOM 0 HD1 HIS A 88 -11.471 15.026 9.457 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -13.393 11.810 11.379 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -11.189 15.378 11.973 1.00 0.00 H new ATOM 1432 N ILE A 89 -15.104 14.497 9.406 1.00 0.00 N ATOM 1433 CA ILE A 89 -15.602 15.845 9.584 1.00 0.00 C ATOM 1434 C ILE A 89 -15.025 16.416 10.882 1.00 0.00 C ATOM 1435 O ILE A 89 -14.804 15.706 11.862 1.00 0.00 O ATOM 1436 CB ILE A 89 -17.151 15.850 9.552 1.00 0.00 C ATOM 1437 CG1 ILE A 89 -17.681 15.316 8.199 1.00 0.00 C ATOM 1438 CG2 ILE A 89 -17.649 17.288 9.783 1.00 0.00 C ATOM 1439 CD1 ILE A 89 -19.176 15.066 8.148 1.00 0.00 C ATOM 0 H ILE A 89 -15.011 13.983 10.282 1.00 0.00 H new ATOM 0 HA ILE A 89 -15.278 16.489 8.766 1.00 0.00 H new ATOM 0 HB ILE A 89 -17.524 15.194 10.339 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -17.421 16.030 7.417 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -17.164 14.385 7.966 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -18.739 17.303 9.762 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -17.299 17.643 10.752 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -17.262 17.938 8.998 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -19.449 14.694 7.161 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -19.447 14.327 8.902 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -19.708 15.997 8.345 1.00 0.00 H new ATOM 1451 N ASP A 90 -14.831 17.732 10.871 1.00 0.00 N ATOM 1452 CA ASP A 90 -14.240 18.542 11.914 1.00 0.00 C ATOM 1453 C ASP A 90 -15.205 19.698 12.162 1.00 0.00 C ATOM 1454 O ASP A 90 -15.454 20.499 11.254 1.00 0.00 O ATOM 1455 CB ASP A 90 -12.890 19.097 11.452 1.00 0.00 C ATOM 1456 CG ASP A 90 -11.878 18.027 11.045 1.00 0.00 C ATOM 1457 OD1 ASP A 90 -12.019 17.409 9.969 1.00 0.00 O ATOM 1458 OD2 ASP A 90 -10.934 17.826 11.828 1.00 0.00 O ATOM 0 H ASP A 90 -15.107 18.296 10.067 1.00 0.00 H new ATOM 0 HA ASP A 90 -14.073 17.954 12.817 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -13.055 19.765 10.607 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -12.463 19.698 12.255 1.00 0.00 H new ATOM 1463 N PHE A 91 -15.757 19.784 13.376 1.00 0.00 N ATOM 1464 CA PHE A 91 -16.603 20.890 13.786 1.00 0.00 C ATOM 1465 C PHE A 91 -15.777 21.718 14.766 1.00 0.00 C ATOM 1466 O PHE A 91 -15.066 21.136 15.580 1.00 0.00 O ATOM 1467 CB PHE A 91 -17.877 20.350 14.450 1.00 0.00 C ATOM 1468 CG PHE A 91 -18.486 19.065 13.921 1.00 0.00 C ATOM 1469 CD1 PHE A 91 -19.465 19.101 12.912 1.00 0.00 C ATOM 1470 CD2 PHE A 91 -18.162 17.838 14.526 1.00 0.00 C ATOM 1471 CE1 PHE A 91 -20.125 17.917 12.534 1.00 0.00 C ATOM 1472 CE2 PHE A 91 -18.803 16.658 14.125 1.00 0.00 C ATOM 1473 CZ PHE A 91 -19.784 16.695 13.135 1.00 0.00 C ATOM 0 H PHE A 91 -15.624 19.079 14.101 1.00 0.00 H new ATOM 0 HA PHE A 91 -16.917 21.500 12.939 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -17.661 20.202 15.508 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -18.638 21.127 14.386 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -19.710 20.035 12.428 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -17.414 17.805 15.305 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -20.897 17.949 11.779 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -18.536 15.717 14.584 1.00 0.00 H new ATOM 0 HZ PHE A 91 -20.281 15.785 12.831 1.00 0.00 H new ATOM 1483 N VAL A 92 -15.857 23.052 14.728 1.00 0.00 N ATOM 1484 CA VAL A 92 -15.134 23.872 15.696 1.00 0.00 C ATOM 1485 C VAL A 92 -16.053 24.176 16.870 1.00 0.00 C ATOM 1486 O VAL A 92 -17.261 24.287 16.676 1.00 0.00 O ATOM 1487 CB VAL A 92 -14.476 25.118 15.071 1.00 0.00 C ATOM 1488 CG1 VAL A 92 -13.955 24.813 13.669 1.00 0.00 C ATOM 1489 CG2 VAL A 92 -15.370 26.357 15.003 1.00 0.00 C ATOM 0 H VAL A 92 -16.407 23.577 14.048 1.00 0.00 H new ATOM 0 HA VAL A 92 -14.282 23.306 16.072 1.00 0.00 H new ATOM 0 HB VAL A 92 -13.659 25.359 15.751 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -13.495 25.708 13.249 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -13.214 24.015 13.722 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -14.783 24.498 13.034 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -14.818 27.180 14.548 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -16.252 26.136 14.402 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -15.678 26.639 16.010 1.00 0.00 H new ATOM 1499 N ARG A 93 -15.476 24.311 18.070 1.00 0.00 N ATOM 1500 CA ARG A 93 -16.155 24.570 19.334 1.00 0.00 C ATOM 1501 C ARG A 93 -16.929 25.889 19.270 1.00 0.00 C ATOM 1502 O ARG A 93 -16.382 26.956 19.551 1.00 0.00 O ATOM 1503 CB ARG A 93 -15.124 24.573 20.481 1.00 0.00 C ATOM 1504 CG ARG A 93 -14.755 23.171 20.988 1.00 0.00 C ATOM 1505 CD ARG A 93 -15.873 22.579 21.855 1.00 0.00 C ATOM 1506 NE ARG A 93 -15.416 21.382 22.570 1.00 0.00 N ATOM 1507 CZ ARG A 93 -16.125 20.683 23.469 1.00 0.00 C ATOM 1508 NH1 ARG A 93 -17.372 21.045 23.793 1.00 0.00 N ATOM 1509 NH2 ARG A 93 -15.576 19.611 24.049 1.00 0.00 N ATOM 0 H ARG A 93 -14.465 24.237 18.186 1.00 0.00 H new ATOM 0 HA ARG A 93 -16.880 23.779 19.524 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -14.219 25.076 20.142 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -15.521 25.157 21.312 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -14.564 22.514 20.140 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -13.832 23.222 21.566 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -16.214 23.326 22.572 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -16.728 22.326 21.227 1.00 0.00 H new ATOM 0 HE ARG A 93 -14.473 21.051 22.365 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -17.796 21.863 23.354 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -17.898 20.503 24.478 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -14.626 19.331 23.807 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -16.107 19.073 24.734 1.00 0.00 H new ATOM 1523 N ALA A 94 -18.204 25.788 18.883 1.00 0.00 N ATOM 1524 CA ALA A 94 -19.177 26.874 18.962 1.00 0.00 C ATOM 1525 C ALA A 94 -19.776 26.993 20.377 1.00 0.00 C ATOM 1526 O ALA A 94 -20.833 27.654 20.488 1.00 0.00 O ATOM 1527 CB ALA A 94 -20.268 26.618 17.922 1.00 0.00 C ATOM 1528 OXT ALA A 94 -19.191 26.424 21.326 1.00 0.00 O ATOM 0 H ALA A 94 -18.594 24.928 18.498 1.00 0.00 H new ATOM 0 HA ALA A 94 -18.681 27.822 18.753 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -21.006 27.419 17.964 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -19.823 26.587 16.928 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -20.754 25.665 18.132 1.00 0.00 H new