USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=20 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= 0.201 K(o=-1.3,f=-2) USER MOD Set 1.2: A 88 HIS : no HE2:sc= -1.51 K(o=-1.3,f=-2.5) USER MOD Set 2.1: A 73 LYS NZ :NH3+ -155:sc= 0.112 (180deg=-0.061) USER MOD Set 2.2: A 75 GLN : amide:sc= 0.0134 K(o=0.13,f=-5.8) USER MOD Set 3.1: A 48 MET CE :methyl 167:sc= -1.01 (180deg=-1.26) USER MOD Set 3.2: A 51 GLN : amide:sc= -0.1 K(o=-1.1,f=-9.5!) USER MOD Set 4.1: A 10 LYS NZ :NH3+ -156:sc= 0.441 (180deg=0) USER MOD Set 4.2: A 12 GLN : amide:sc= -3.01 K(o=-2.6,f=-10!) USER MOD Set 5.1: A 5 ASN : amide:sc= -2.16! X(o=-1.2!,f=-1) USER MOD Set 5.2: A 46 LYS NZ :NH3+ 169:sc= 0.983 (180deg=0.862) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0435) USER MOD Single : A 17 SER OG : rot 97:sc= 0.00583 USER MOD Single : A 24 ASN :FLIP amide:sc= -0.295 F(o=-2.2!,f=-0.3) USER MOD Single : A 25 LYS NZ :NH3+ -139:sc= 2.22 (180deg=0.401) USER MOD Single : A 31 TYR OH : rot -157:sc= 0.992 USER MOD Single : A 44 HIS : no HE2:sc= -0.0786 K(o=-0.079,f=-6.8!) USER MOD Single : A 49 ASN : amide:sc=-0.000748 X(o=-0.00075,f=-0.00075) USER MOD Single : A 50 MET CE :methyl -145:sc= -1.84 (180deg=-4.31!) USER MOD Single : A 53 LYS NZ :NH3+ 155:sc= 1.11 (180deg=0.699) 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 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 HIS : no HE2:sc= 0.107 K(o=0.11,f=-1.9!) 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+ 178:sc= 0 (180deg=-0.00651) USER MOD Single : A 87 GLN : amide:sc= -0.0174 X(o=-0.017,f=0) USER MOD ----------------------------------------------------------------- ATOM 20 N PHE A 2 -30.781 20.711 12.810 1.00 0.00 N ATOM 21 CA PHE A 2 -29.971 19.651 12.216 1.00 0.00 C ATOM 22 C PHE A 2 -29.762 18.521 13.231 1.00 0.00 C ATOM 23 O PHE A 2 -30.362 17.461 13.085 1.00 0.00 O ATOM 24 CB PHE A 2 -28.645 20.236 11.686 1.00 0.00 C ATOM 25 CG PHE A 2 -28.814 21.547 10.941 1.00 0.00 C ATOM 26 CD1 PHE A 2 -29.274 21.560 9.610 1.00 0.00 C ATOM 27 CD2 PHE A 2 -28.586 22.764 11.615 1.00 0.00 C ATOM 28 CE1 PHE A 2 -29.523 22.786 8.966 1.00 0.00 C ATOM 29 CE2 PHE A 2 -28.827 23.986 10.969 1.00 0.00 C ATOM 30 CZ PHE A 2 -29.312 23.995 9.652 1.00 0.00 C ATOM 0 HA PHE A 2 -30.490 19.217 11.361 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -27.965 20.389 12.524 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -28.176 19.509 11.023 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -29.435 20.630 9.084 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -28.224 22.756 12.633 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -29.876 22.798 7.945 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -28.640 24.917 11.484 1.00 0.00 H new ATOM 0 HZ PHE A 2 -29.524 24.935 9.163 1.00 0.00 H new ATOM 40 N THR A 3 -28.967 18.793 14.276 1.00 0.00 N ATOM 41 CA THR A 3 -28.678 17.948 15.435 1.00 0.00 C ATOM 42 C THR A 3 -28.060 16.582 15.076 1.00 0.00 C ATOM 43 O THR A 3 -28.760 15.657 14.663 1.00 0.00 O ATOM 44 CB THR A 3 -29.935 17.771 16.291 1.00 0.00 C ATOM 45 OG1 THR A 3 -30.598 19.002 16.518 1.00 0.00 O ATOM 46 CG2 THR A 3 -29.624 17.138 17.657 1.00 0.00 C ATOM 0 H THR A 3 -28.471 19.683 14.333 1.00 0.00 H new ATOM 0 HA THR A 3 -27.915 18.472 16.011 1.00 0.00 H new ATOM 0 HB THR A 3 -30.582 17.104 15.721 1.00 0.00 H new ATOM 0 HG1 THR A 3 -31.396 18.848 17.066 1.00 0.00 H new ATOM 0 HG21 THR A 3 -30.547 17.033 18.228 1.00 0.00 H new ATOM 0 HG22 THR A 3 -29.175 16.156 17.509 1.00 0.00 H new ATOM 0 HG23 THR A 3 -28.930 17.776 18.204 1.00 0.00 H new ATOM 54 N ILE A 4 -26.740 16.436 15.260 1.00 0.00 N ATOM 55 CA ILE A 4 -25.980 15.299 14.754 1.00 0.00 C ATOM 56 C ILE A 4 -25.673 14.356 15.913 1.00 0.00 C ATOM 57 O ILE A 4 -24.609 14.422 16.523 1.00 0.00 O ATOM 58 CB ILE A 4 -24.735 15.703 13.928 1.00 0.00 C ATOM 59 CG1 ILE A 4 -24.592 17.192 13.578 1.00 0.00 C ATOM 60 CG2 ILE A 4 -24.641 14.841 12.668 1.00 0.00 C ATOM 61 CD1 ILE A 4 -25.707 17.799 12.711 1.00 0.00 C ATOM 0 H ILE A 4 -26.171 17.113 15.769 1.00 0.00 H new ATOM 0 HA ILE A 4 -26.593 14.764 14.029 1.00 0.00 H new ATOM 0 HB ILE A 4 -23.895 15.516 14.597 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -24.536 17.758 14.508 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -23.643 17.332 13.061 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -23.762 15.132 12.093 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -24.559 13.791 12.950 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -25.535 14.984 12.062 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -25.495 18.853 12.531 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -25.755 17.271 11.759 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -26.662 17.704 13.227 1.00 0.00 H new ATOM 73 N ASN A 5 -26.638 13.498 16.249 1.00 0.00 N ATOM 74 CA ASN A 5 -26.541 12.592 17.384 1.00 0.00 C ATOM 75 C ASN A 5 -25.335 11.668 17.180 1.00 0.00 C ATOM 76 O ASN A 5 -25.356 10.805 16.299 1.00 0.00 O ATOM 77 CB ASN A 5 -27.854 11.824 17.634 1.00 0.00 C ATOM 78 CG ASN A 5 -29.091 12.565 17.131 1.00 0.00 C ATOM 79 OD1 ASN A 5 -29.628 12.217 16.084 1.00 0.00 O ATOM 80 ND2 ASN A 5 -29.500 13.628 17.818 1.00 0.00 N ATOM 0 H ASN A 5 -27.514 13.415 15.734 1.00 0.00 H new ATOM 0 HA ASN A 5 -26.382 13.172 18.293 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -27.797 10.852 17.145 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -27.960 11.637 18.703 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -30.285 14.184 17.478 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -29.029 13.887 18.685 1.00 0.00 H new ATOM 87 N ALA A 6 -24.279 11.912 17.962 1.00 0.00 N ATOM 88 CA ALA A 6 -23.021 11.183 17.968 1.00 0.00 C ATOM 89 C ALA A 6 -22.937 10.429 19.304 1.00 0.00 C ATOM 90 O ALA A 6 -23.942 10.212 19.984 1.00 0.00 O ATOM 91 CB ALA A 6 -21.844 12.160 17.699 1.00 0.00 C ATOM 0 H ALA A 6 -24.287 12.669 18.645 1.00 0.00 H new ATOM 0 HA ALA A 6 -22.960 10.444 17.169 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -20.904 11.608 17.705 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -21.980 12.635 16.727 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -21.821 12.924 18.476 1.00 0.00 H new ATOM 97 N GLU A 7 -21.733 10.013 19.676 1.00 0.00 N ATOM 98 CA GLU A 7 -21.353 9.522 20.990 1.00 0.00 C ATOM 99 C GLU A 7 -19.868 9.846 21.123 1.00 0.00 C ATOM 100 O GLU A 7 -19.139 9.794 20.138 1.00 0.00 O ATOM 101 CB GLU A 7 -21.659 8.018 21.127 1.00 0.00 C ATOM 102 CG GLU A 7 -20.899 7.140 20.123 1.00 0.00 C ATOM 103 CD GLU A 7 -21.446 5.712 20.053 1.00 0.00 C ATOM 104 OE1 GLU A 7 -21.331 5.000 21.073 1.00 0.00 O ATOM 105 OE2 GLU A 7 -21.969 5.347 18.973 1.00 0.00 O ATOM 0 H GLU A 7 -20.948 10.010 19.025 1.00 0.00 H new ATOM 0 HA GLU A 7 -21.920 9.992 21.794 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -21.411 7.696 22.138 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -22.730 7.861 20.996 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -20.955 7.595 19.134 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -19.845 7.108 20.400 1.00 0.00 H new ATOM 112 N VAL A 8 -19.408 10.226 22.313 1.00 0.00 N ATOM 113 CA VAL A 8 -18.008 10.587 22.515 1.00 0.00 C ATOM 114 C VAL A 8 -17.100 9.378 22.306 1.00 0.00 C ATOM 115 O VAL A 8 -17.449 8.253 22.668 1.00 0.00 O ATOM 116 CB VAL A 8 -17.801 11.207 23.907 1.00 0.00 C ATOM 117 CG1 VAL A 8 -18.447 12.590 23.974 1.00 0.00 C ATOM 118 CG2 VAL A 8 -18.399 10.348 25.026 1.00 0.00 C ATOM 0 H VAL A 8 -19.985 10.292 23.152 1.00 0.00 H new ATOM 0 HA VAL A 8 -17.737 11.337 21.772 1.00 0.00 H new ATOM 0 HB VAL A 8 -16.723 11.274 24.056 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -18.292 13.016 24.965 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -17.994 13.240 23.225 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -19.516 12.502 23.780 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -18.225 10.831 25.988 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -19.471 10.235 24.865 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -17.927 9.366 25.023 1.00 0.00 H new ATOM 128 N ARG A 9 -15.917 9.637 21.740 1.00 0.00 N ATOM 129 CA ARG A 9 -14.890 8.612 21.564 1.00 0.00 C ATOM 130 C ARG A 9 -13.496 9.135 21.893 1.00 0.00 C ATOM 131 O ARG A 9 -13.249 10.334 21.788 1.00 0.00 O ATOM 132 CB ARG A 9 -14.977 7.997 20.169 1.00 0.00 C ATOM 133 CG ARG A 9 -14.755 9.033 19.081 1.00 0.00 C ATOM 134 CD ARG A 9 -14.334 8.428 17.751 1.00 0.00 C ATOM 135 NE ARG A 9 -13.909 9.556 16.939 1.00 0.00 N ATOM 136 CZ ARG A 9 -12.816 9.643 16.167 1.00 0.00 C ATOM 137 NH1 ARG A 9 -12.110 8.549 15.872 1.00 0.00 N ATOM 138 NH2 ARG A 9 -12.424 10.838 15.712 1.00 0.00 N ATOM 0 H ARG A 9 -15.648 10.558 21.394 1.00 0.00 H new ATOM 0 HA ARG A 9 -15.082 7.814 22.282 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -14.234 7.205 20.074 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -15.955 7.534 20.036 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -15.673 9.603 18.939 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -13.991 9.737 19.410 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -13.524 7.710 17.883 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -15.160 7.894 17.282 1.00 0.00 H new ATOM 0 HE ARG A 9 -14.513 10.378 16.959 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -12.401 7.641 16.234 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -11.279 8.621 15.284 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -12.955 11.675 15.953 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -11.594 10.913 15.124 1.00 0.00 H new ATOM 152 N LYS A 10 -12.576 8.219 22.218 1.00 0.00 N ATOM 153 CA LYS A 10 -11.135 8.453 22.329 1.00 0.00 C ATOM 154 C LYS A 10 -10.283 7.339 21.686 1.00 0.00 C ATOM 155 O LYS A 10 -9.062 7.455 21.620 1.00 0.00 O ATOM 156 CB LYS A 10 -10.741 8.721 23.786 1.00 0.00 C ATOM 157 CG LYS A 10 -11.102 10.137 24.276 1.00 0.00 C ATOM 158 CD LYS A 10 -10.264 11.279 23.657 1.00 0.00 C ATOM 159 CE LYS A 10 -10.893 11.972 22.433 1.00 0.00 C ATOM 160 NZ LYS A 10 -9.940 12.914 21.803 1.00 0.00 N ATOM 0 H LYS A 10 -12.829 7.252 22.419 1.00 0.00 H new ATOM 0 HA LYS A 10 -10.913 9.349 21.749 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -11.232 7.988 24.426 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -9.667 8.571 23.896 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -12.154 10.322 24.061 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -10.988 10.170 25.360 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -10.082 12.031 24.425 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -9.293 10.878 23.367 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -11.201 11.221 21.705 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -11.792 12.509 22.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -10.466 13.639 21.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -9.365 13.371 22.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -9.318 12.394 21.151 1.00 0.00 H new ATOM 174 N GLU A 11 -10.923 6.294 21.157 1.00 0.00 N ATOM 175 CA GLU A 11 -10.338 5.134 20.463 1.00 0.00 C ATOM 176 C GLU A 11 -9.737 5.431 19.062 1.00 0.00 C ATOM 177 O GLU A 11 -9.451 4.504 18.306 1.00 0.00 O ATOM 178 CB GLU A 11 -11.347 3.949 20.425 1.00 0.00 C ATOM 179 CG GLU A 11 -12.857 4.260 20.500 1.00 0.00 C ATOM 180 CD GLU A 11 -13.411 4.403 21.920 1.00 0.00 C ATOM 181 OE1 GLU A 11 -13.394 5.549 22.418 1.00 0.00 O ATOM 182 OE2 GLU A 11 -13.898 3.387 22.465 1.00 0.00 O ATOM 0 H GLU A 11 -11.940 6.227 21.204 1.00 0.00 H new ATOM 0 HA GLU A 11 -9.473 4.848 21.061 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -11.169 3.393 19.505 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -11.105 3.282 21.252 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -13.051 5.183 19.954 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -13.403 3.467 19.990 1.00 0.00 H new ATOM 189 N GLN A 12 -9.542 6.703 18.696 1.00 0.00 N ATOM 190 CA GLN A 12 -9.167 7.177 17.353 1.00 0.00 C ATOM 191 C GLN A 12 -7.963 6.495 16.695 1.00 0.00 C ATOM 192 O GLN A 12 -7.952 6.395 15.473 1.00 0.00 O ATOM 193 CB GLN A 12 -8.883 8.684 17.342 1.00 0.00 C ATOM 194 CG GLN A 12 -8.378 9.318 18.628 1.00 0.00 C ATOM 195 CD GLN A 12 -9.493 9.810 19.558 1.00 0.00 C ATOM 196 OE1 GLN A 12 -9.202 10.451 20.555 1.00 0.00 O ATOM 197 NE2 GLN A 12 -10.778 9.537 19.292 1.00 0.00 N ATOM 0 H GLN A 12 -9.646 7.471 19.360 1.00 0.00 H new ATOM 0 HA GLN A 12 -10.048 6.912 16.768 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -8.149 8.881 16.560 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -9.801 9.196 17.054 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -7.766 8.592 19.163 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -7.730 10.158 18.377 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -11.024 9.001 18.459 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -11.510 9.865 19.922 1.00 0.00 H new ATOM 206 N GLY A 13 -6.983 6.050 17.489 1.00 0.00 N ATOM 207 CA GLY A 13 -5.691 5.461 17.086 1.00 0.00 C ATOM 208 C GLY A 13 -5.712 4.297 16.069 1.00 0.00 C ATOM 209 O GLY A 13 -4.644 3.812 15.697 1.00 0.00 O ATOM 0 H GLY A 13 -7.074 6.093 18.504 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -5.076 6.258 16.669 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -5.189 5.109 17.987 1.00 0.00 H new ATOM 213 N LYS A 14 -6.914 3.879 15.641 1.00 0.00 N ATOM 214 CA LYS A 14 -7.396 2.978 14.589 1.00 0.00 C ATOM 215 C LYS A 14 -8.491 2.068 15.134 1.00 0.00 C ATOM 216 O LYS A 14 -9.341 1.650 14.349 1.00 0.00 O ATOM 217 CB LYS A 14 -6.333 2.130 13.871 1.00 0.00 C ATOM 218 CG LYS A 14 -5.743 2.757 12.607 1.00 0.00 C ATOM 219 CD LYS A 14 -6.742 2.856 11.441 1.00 0.00 C ATOM 220 CE LYS A 14 -6.051 3.217 10.121 1.00 0.00 C ATOM 221 NZ LYS A 14 -5.243 2.119 9.572 1.00 0.00 N ATOM 0 H LYS A 14 -7.729 4.247 16.132 1.00 0.00 H new ATOM 0 HA LYS A 14 -7.777 3.652 13.822 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -5.521 1.927 14.569 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -6.775 1.169 13.608 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -5.376 3.755 12.845 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -4.883 2.169 12.288 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -7.264 1.905 11.329 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -7.496 3.608 11.673 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -6.806 3.505 9.390 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -5.412 4.086 10.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -4.913 2.374 8.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -4.423 1.950 10.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -5.821 1.256 9.519 1.00 0.00 H new ATOM 235 N GLY A 15 -8.504 1.801 16.450 1.00 0.00 N ATOM 236 CA GLY A 15 -9.529 1.014 17.124 1.00 0.00 C ATOM 237 C GLY A 15 -10.939 1.469 16.740 1.00 0.00 C ATOM 238 O GLY A 15 -11.749 0.649 16.302 1.00 0.00 O ATOM 0 H GLY A 15 -7.780 2.139 17.084 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -9.405 -0.039 16.870 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -9.401 1.098 18.203 1.00 0.00 H new ATOM 242 N ALA A 16 -11.203 2.777 16.861 1.00 0.00 N ATOM 243 CA ALA A 16 -12.441 3.426 16.448 1.00 0.00 C ATOM 244 C ALA A 16 -12.581 3.458 14.933 1.00 0.00 C ATOM 245 O ALA A 16 -13.645 3.185 14.393 1.00 0.00 O ATOM 246 CB ALA A 16 -12.493 4.861 16.950 1.00 0.00 C ATOM 0 H ALA A 16 -10.532 3.430 17.265 1.00 0.00 H new ATOM 0 HA ALA A 16 -13.255 2.842 16.878 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -13.426 5.325 16.630 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -12.440 4.868 18.039 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -11.651 5.420 16.542 1.00 0.00 H new ATOM 252 N SER A 17 -11.511 3.816 14.231 1.00 0.00 N ATOM 253 CA SER A 17 -11.590 4.106 12.799 1.00 0.00 C ATOM 254 C SER A 17 -12.127 2.902 12.009 1.00 0.00 C ATOM 255 O SER A 17 -12.833 3.079 11.014 1.00 0.00 O ATOM 256 CB SER A 17 -10.219 4.547 12.290 1.00 0.00 C ATOM 257 OG SER A 17 -9.766 5.649 13.052 1.00 0.00 O ATOM 0 H SER A 17 -10.577 3.913 14.629 1.00 0.00 H new ATOM 0 HA SER A 17 -12.298 4.920 12.645 1.00 0.00 H new ATOM 0 HB2 SER A 17 -9.509 3.723 12.365 1.00 0.00 H new ATOM 0 HB3 SER A 17 -10.281 4.820 11.237 1.00 0.00 H new ATOM 0 HG SER A 17 -9.166 5.333 13.759 1.00 0.00 H new ATOM 263 N ARG A 18 -11.872 1.685 12.516 1.00 0.00 N ATOM 264 CA ARG A 18 -12.344 0.438 11.958 1.00 0.00 C ATOM 265 C ARG A 18 -13.739 0.083 12.464 1.00 0.00 C ATOM 266 O ARG A 18 -14.509 -0.369 11.633 1.00 0.00 O ATOM 267 CB ARG A 18 -11.309 -0.694 12.112 1.00 0.00 C ATOM 268 CG ARG A 18 -10.995 -1.213 13.525 1.00 0.00 C ATOM 269 CD ARG A 18 -12.129 -2.031 14.167 1.00 0.00 C ATOM 270 NE ARG A 18 -11.653 -3.293 14.744 1.00 0.00 N ATOM 271 CZ ARG A 18 -10.975 -3.419 15.895 1.00 0.00 C ATOM 272 NH1 ARG A 18 -10.734 -2.371 16.689 1.00 0.00 N ATOM 273 NH2 ARG A 18 -10.521 -4.611 16.272 1.00 0.00 N ATOM 0 H ARG A 18 -11.310 1.554 13.357 1.00 0.00 H new ATOM 0 HA ARG A 18 -12.454 0.575 10.882 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -11.652 -1.540 11.517 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -10.374 -0.351 11.669 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -10.098 -1.830 13.481 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -10.767 -0.364 14.169 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -12.606 -1.436 14.946 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -12.890 -2.243 13.416 1.00 0.00 H new ATOM 0 HE ARG A 18 -11.855 -4.148 14.226 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -11.069 -1.444 16.426 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -10.216 -2.498 17.558 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -10.688 -5.429 15.686 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -10.006 -4.707 17.147 1.00 0.00 H new ATOM 287 N ARG A 19 -14.107 0.281 13.747 1.00 0.00 N ATOM 288 CA ARG A 19 -15.465 -0.075 14.210 1.00 0.00 C ATOM 289 C ARG A 19 -16.513 0.826 13.550 1.00 0.00 C ATOM 290 O ARG A 19 -17.607 0.357 13.237 1.00 0.00 O ATOM 291 CB ARG A 19 -15.643 -0.068 15.750 1.00 0.00 C ATOM 292 CG ARG A 19 -15.178 1.233 16.411 1.00 0.00 C ATOM 293 CD ARG A 19 -16.012 1.880 17.516 1.00 0.00 C ATOM 294 NE ARG A 19 -15.750 1.286 18.829 1.00 0.00 N ATOM 295 CZ ARG A 19 -15.768 1.961 19.990 1.00 0.00 C ATOM 296 NH1 ARG A 19 -16.281 3.196 20.085 1.00 0.00 N ATOM 297 NH2 ARG A 19 -15.223 1.398 21.069 1.00 0.00 N ATOM 0 H ARG A 19 -13.500 0.676 14.466 1.00 0.00 H new ATOM 0 HA ARG A 19 -15.613 -1.110 13.901 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -16.694 -0.232 15.987 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -15.086 -0.902 16.176 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -14.186 1.049 16.822 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -15.062 1.973 15.619 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -15.796 2.948 17.553 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -17.071 1.777 17.277 1.00 0.00 H new ATOM 0 HE ARG A 19 -15.539 0.289 18.864 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -16.673 3.650 19.260 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -16.279 3.681 20.982 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -14.803 0.471 21.003 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -15.227 1.894 21.960 1.00 0.00 H new ATOM 311 N LEU A 20 -16.171 2.100 13.308 1.00 0.00 N ATOM 312 CA LEU A 20 -17.069 3.059 12.713 1.00 0.00 C ATOM 313 C LEU A 20 -17.357 2.659 11.278 1.00 0.00 C ATOM 314 O LEU A 20 -18.515 2.368 10.967 1.00 0.00 O ATOM 315 CB LEU A 20 -16.480 4.470 12.810 1.00 0.00 C ATOM 316 CG LEU A 20 -16.834 5.134 14.151 1.00 0.00 C ATOM 317 CD1 LEU A 20 -15.715 5.165 15.181 1.00 0.00 C ATOM 318 CD2 LEU A 20 -17.179 6.595 13.926 1.00 0.00 C ATOM 0 H LEU A 20 -15.251 2.482 13.528 1.00 0.00 H new ATOM 0 HA LEU A 20 -18.014 3.068 13.256 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -15.397 4.422 12.701 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -16.857 5.080 11.989 1.00 0.00 H new ATOM 0 HG LEU A 20 -17.653 4.523 14.531 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -16.069 5.654 16.089 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -15.407 4.146 15.414 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -14.866 5.718 14.779 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -17.429 7.061 14.879 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -16.324 7.107 13.485 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -18.032 6.668 13.252 1.00 0.00 H new ATOM 330 N ARG A 21 -16.322 2.590 10.425 1.00 0.00 N ATOM 331 CA ARG A 21 -16.525 2.124 9.058 1.00 0.00 C ATOM 332 C ARG A 21 -17.024 0.686 9.001 1.00 0.00 C ATOM 333 O ARG A 21 -17.611 0.310 7.988 1.00 0.00 O ATOM 334 CB ARG A 21 -15.269 2.346 8.197 1.00 0.00 C ATOM 335 CG ARG A 21 -14.077 1.441 8.549 1.00 0.00 C ATOM 336 CD ARG A 21 -14.057 0.085 7.832 1.00 0.00 C ATOM 337 NE ARG A 21 -12.814 -0.643 8.133 1.00 0.00 N ATOM 338 CZ ARG A 21 -12.564 -1.932 7.851 1.00 0.00 C ATOM 339 NH1 ARG A 21 -13.480 -2.695 7.243 1.00 0.00 N ATOM 340 NH2 ARG A 21 -11.380 -2.459 8.179 1.00 0.00 N ATOM 0 H ARG A 21 -15.362 2.846 10.656 1.00 0.00 H new ATOM 0 HA ARG A 21 -17.320 2.732 8.627 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -15.530 2.188 7.151 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -14.958 3.386 8.294 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -13.155 1.973 8.314 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -14.079 1.266 9.625 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -14.917 -0.509 8.142 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -14.145 0.235 6.756 1.00 0.00 H new ATOM 0 HE ARG A 21 -12.073 -0.120 8.599 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -14.384 -2.299 6.986 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -13.274 -3.672 7.036 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -10.675 -1.883 8.640 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -11.181 -3.437 7.969 1.00 0.00 H new ATOM 354 N ALA A 22 -16.826 -0.104 10.069 1.00 0.00 N ATOM 355 CA ALA A 22 -17.356 -1.467 10.080 1.00 0.00 C ATOM 356 C ALA A 22 -18.864 -1.532 10.359 1.00 0.00 C ATOM 357 O ALA A 22 -19.473 -2.565 10.086 1.00 0.00 O ATOM 358 CB ALA A 22 -16.598 -2.342 11.074 1.00 0.00 C ATOM 0 H ALA A 22 -16.318 0.171 10.910 1.00 0.00 H new ATOM 0 HA ALA A 22 -17.206 -1.853 9.072 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -17.013 -3.350 11.062 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -15.545 -2.380 10.796 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -16.694 -1.922 12.075 1.00 0.00 H new ATOM 364 N ALA A 23 -19.471 -0.453 10.870 1.00 0.00 N ATOM 365 CA ALA A 23 -20.905 -0.332 11.053 1.00 0.00 C ATOM 366 C ALA A 23 -21.510 0.285 9.802 1.00 0.00 C ATOM 367 O ALA A 23 -22.367 -0.339 9.183 1.00 0.00 O ATOM 368 CB ALA A 23 -21.191 0.529 12.286 1.00 0.00 C ATOM 0 H ALA A 23 -18.957 0.375 11.172 1.00 0.00 H new ATOM 0 HA ALA A 23 -21.353 -1.313 11.212 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -22.268 0.620 12.424 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -20.751 0.061 13.167 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -20.758 1.519 12.147 1.00 0.00 H new ATOM 374 N ASN A 24 -21.038 1.501 9.477 1.00 0.00 N ATOM 375 CA ASN A 24 -21.565 2.542 8.587 1.00 0.00 C ATOM 376 C ASN A 24 -21.457 3.943 9.218 1.00 0.00 C ATOM 377 O ASN A 24 -21.885 4.929 8.617 1.00 0.00 O ATOM 378 CB ASN A 24 -22.996 2.272 8.084 1.00 0.00 C ATOM 379 CG ASN A 24 -24.108 2.148 9.139 1.00 0.00 C ATOM 380 OD1 ASN A 24 -24.153 3.018 10.145 1.00 0.00 O flip ATOM 381 ND2 ASN A 24 -24.965 1.277 9.032 1.00 0.00 N flip ATOM 0 H ASN A 24 -20.160 1.814 9.890 1.00 0.00 H new ATOM 0 HA ASN A 24 -20.926 2.510 7.705 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -23.269 3.076 7.400 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -22.980 1.350 7.502 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -24.924 0.614 8.258 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -25.719 1.216 9.717 1.00 0.00 H new ATOM 388 N LYS A 25 -20.918 4.039 10.439 1.00 0.00 N ATOM 389 CA LYS A 25 -20.568 5.285 11.095 1.00 0.00 C ATOM 390 C LYS A 25 -19.200 5.708 10.533 1.00 0.00 C ATOM 391 O LYS A 25 -18.589 4.991 9.737 1.00 0.00 O ATOM 392 CB LYS A 25 -20.596 5.064 12.627 1.00 0.00 C ATOM 393 CG LYS A 25 -21.958 4.538 13.146 1.00 0.00 C ATOM 394 CD LYS A 25 -22.731 5.435 14.121 1.00 0.00 C ATOM 395 CE LYS A 25 -22.064 5.721 15.468 1.00 0.00 C ATOM 396 NZ LYS A 25 -21.860 4.511 16.295 1.00 0.00 N ATOM 0 H LYS A 25 -20.710 3.219 11.009 1.00 0.00 H new ATOM 0 HA LYS A 25 -21.271 6.096 10.903 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -19.813 4.356 12.899 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -20.363 6.004 13.127 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -22.597 4.347 12.284 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -21.786 3.579 13.634 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -22.923 6.388 13.627 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -23.700 4.974 14.312 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -21.100 6.198 15.293 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -22.676 6.432 16.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -22.083 4.727 17.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -22.484 3.751 15.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -20.869 4.204 16.222 1.00 0.00 H new ATOM 410 N PHE A 26 -18.712 6.886 10.914 1.00 0.00 N ATOM 411 CA PHE A 26 -17.407 7.403 10.515 1.00 0.00 C ATOM 412 C PHE A 26 -17.065 8.562 11.478 1.00 0.00 C ATOM 413 O PHE A 26 -17.970 9.136 12.092 1.00 0.00 O ATOM 414 CB PHE A 26 -17.407 7.814 9.026 1.00 0.00 C ATOM 415 CG PHE A 26 -17.922 9.206 8.789 1.00 0.00 C ATOM 416 CD1 PHE A 26 -19.129 9.605 9.385 1.00 0.00 C ATOM 417 CD2 PHE A 26 -17.118 10.143 8.119 1.00 0.00 C ATOM 418 CE1 PHE A 26 -19.441 10.957 9.465 1.00 0.00 C ATOM 419 CE2 PHE A 26 -17.481 11.495 8.131 1.00 0.00 C ATOM 420 CZ PHE A 26 -18.605 11.903 8.856 1.00 0.00 C ATOM 0 H PHE A 26 -19.226 7.522 11.523 1.00 0.00 H new ATOM 0 HA PHE A 26 -16.632 6.641 10.593 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -16.392 7.739 8.637 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -18.017 7.108 8.462 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -19.811 8.866 9.779 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -16.227 9.823 7.599 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -20.325 11.278 9.995 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -16.896 12.219 7.583 1.00 0.00 H new ATOM 0 HZ PHE A 26 -18.831 12.955 8.947 1.00 0.00 H new ATOM 430 N PRO A 27 -15.779 8.863 11.705 1.00 0.00 N ATOM 431 CA PRO A 27 -15.384 9.752 12.794 1.00 0.00 C ATOM 432 C PRO A 27 -15.610 11.239 12.500 1.00 0.00 C ATOM 433 O PRO A 27 -15.696 11.655 11.343 1.00 0.00 O ATOM 434 CB PRO A 27 -13.903 9.449 13.020 1.00 0.00 C ATOM 435 CG PRO A 27 -13.419 8.865 11.694 1.00 0.00 C ATOM 436 CD PRO A 27 -14.641 8.098 11.223 1.00 0.00 C ATOM 0 HA PRO A 27 -15.999 9.570 13.675 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -13.350 10.351 13.281 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -13.764 8.742 13.838 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -13.128 9.642 10.988 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -12.555 8.214 11.826 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -14.657 8.011 10.137 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -14.649 7.085 11.624 1.00 0.00 H new ATOM 444 N ALA A 28 -15.620 12.042 13.575 1.00 0.00 N ATOM 445 CA ALA A 28 -15.449 13.490 13.529 1.00 0.00 C ATOM 446 C ALA A 28 -14.665 14.000 14.749 1.00 0.00 C ATOM 447 O ALA A 28 -14.297 13.220 15.636 1.00 0.00 O ATOM 448 CB ALA A 28 -16.816 14.171 13.415 1.00 0.00 C ATOM 0 H ALA A 28 -15.751 11.686 14.522 1.00 0.00 H new ATOM 0 HA ALA A 28 -14.862 13.744 12.647 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -16.682 15.252 13.381 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -17.313 13.838 12.504 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -17.427 13.908 14.279 1.00 0.00 H new ATOM 454 N ILE A 29 -14.456 15.325 14.795 1.00 0.00 N ATOM 455 CA ILE A 29 -13.893 16.061 15.929 1.00 0.00 C ATOM 456 C ILE A 29 -14.699 17.332 16.185 1.00 0.00 C ATOM 457 O ILE A 29 -15.347 17.866 15.288 1.00 0.00 O ATOM 458 CB ILE A 29 -12.395 16.352 15.683 1.00 0.00 C ATOM 459 CG1 ILE A 29 -11.589 16.942 16.857 1.00 0.00 C ATOM 460 CG2 ILE A 29 -12.170 17.298 14.503 1.00 0.00 C ATOM 461 CD1 ILE A 29 -11.560 16.057 18.090 1.00 0.00 C ATOM 0 H ILE A 29 -14.685 15.934 14.010 1.00 0.00 H new ATOM 0 HA ILE A 29 -13.960 15.451 16.830 1.00 0.00 H new ATOM 0 HB ILE A 29 -12.024 15.344 15.498 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -10.566 17.123 16.528 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -12.013 17.909 17.126 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -11.101 17.470 14.373 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -12.579 16.852 13.596 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -12.669 18.247 14.697 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -10.974 16.541 18.871 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -12.577 15.896 18.446 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -11.108 15.098 17.839 1.00 0.00 H new ATOM 473 N ILE A 30 -14.601 17.825 17.417 1.00 0.00 N ATOM 474 CA ILE A 30 -15.238 19.036 17.922 1.00 0.00 C ATOM 475 C ILE A 30 -14.115 19.862 18.552 1.00 0.00 C ATOM 476 O ILE A 30 -13.748 19.618 19.700 1.00 0.00 O ATOM 477 CB ILE A 30 -16.431 18.704 18.871 1.00 0.00 C ATOM 478 CG1 ILE A 30 -17.631 18.255 18.008 1.00 0.00 C ATOM 479 CG2 ILE A 30 -16.783 19.912 19.753 1.00 0.00 C ATOM 480 CD1 ILE A 30 -18.901 17.769 18.735 1.00 0.00 C ATOM 0 H ILE A 30 -14.041 17.361 18.132 1.00 0.00 H new ATOM 0 HA ILE A 30 -15.712 19.623 17.136 1.00 0.00 H new ATOM 0 HB ILE A 30 -16.156 17.895 19.548 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -17.912 19.090 17.366 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -17.291 17.451 17.355 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -17.618 19.655 20.405 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -15.919 20.184 20.359 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -17.063 20.755 19.121 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -19.656 17.488 18.000 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -18.658 16.905 19.354 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -19.288 18.570 19.365 1.00 0.00 H new ATOM 492 N TYR A 31 -13.528 20.789 17.785 1.00 0.00 N ATOM 493 CA TYR A 31 -12.283 21.464 18.136 1.00 0.00 C ATOM 494 C TYR A 31 -12.416 22.968 18.321 1.00 0.00 C ATOM 495 O TYR A 31 -13.514 23.513 18.318 1.00 0.00 O ATOM 496 CB TYR A 31 -11.154 21.051 17.186 1.00 0.00 C ATOM 497 CG TYR A 31 -11.150 21.460 15.717 1.00 0.00 C ATOM 498 CD1 TYR A 31 -11.386 22.780 15.261 1.00 0.00 C ATOM 499 CD2 TYR A 31 -10.698 20.497 14.797 1.00 0.00 C ATOM 500 CE1 TYR A 31 -11.229 23.089 13.898 1.00 0.00 C ATOM 501 CE2 TYR A 31 -10.534 20.798 13.441 1.00 0.00 C ATOM 502 CZ TYR A 31 -10.823 22.097 12.979 1.00 0.00 C ATOM 503 OH TYR A 31 -10.714 22.384 11.655 1.00 0.00 O ATOM 0 H TYR A 31 -13.914 21.092 16.891 1.00 0.00 H new ATOM 0 HA TYR A 31 -12.008 21.118 19.132 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -10.225 21.423 17.619 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -11.104 19.962 17.210 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -11.686 23.548 15.959 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -10.472 19.500 15.146 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -11.421 24.094 13.551 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -10.188 20.040 12.753 1.00 0.00 H new ATOM 0 HH TYR A 31 -10.792 21.558 11.134 1.00 0.00 H new ATOM 574 N PRO A 37 -10.059 19.384 22.349 1.00 0.00 N ATOM 575 CA PRO A 37 -11.251 19.108 21.549 1.00 0.00 C ATOM 576 C PRO A 37 -11.957 17.812 21.981 1.00 0.00 C ATOM 577 O PRO A 37 -11.694 17.289 23.065 1.00 0.00 O ATOM 578 CB PRO A 37 -10.701 19.059 20.133 1.00 0.00 C ATOM 579 CG PRO A 37 -9.407 18.328 20.337 1.00 0.00 C ATOM 580 CD PRO A 37 -8.884 18.902 21.636 1.00 0.00 C ATOM 0 HA PRO A 37 -12.035 19.857 21.662 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -11.368 18.529 19.453 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -10.548 20.055 19.718 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -9.560 17.251 20.406 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -8.714 18.500 19.513 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -8.356 18.144 22.216 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -8.178 19.711 21.451 1.00 0.00 H new ATOM 588 N LEU A 38 -12.895 17.321 21.156 1.00 0.00 N ATOM 589 CA LEU A 38 -13.776 16.213 21.516 1.00 0.00 C ATOM 590 C LEU A 38 -14.129 15.389 20.283 1.00 0.00 C ATOM 591 O LEU A 38 -14.956 15.784 19.465 1.00 0.00 O ATOM 592 CB LEU A 38 -15.043 16.748 22.195 1.00 0.00 C ATOM 593 CG LEU A 38 -15.965 15.600 22.655 1.00 0.00 C ATOM 594 CD1 LEU A 38 -15.543 15.154 24.052 1.00 0.00 C ATOM 595 CD2 LEU A 38 -17.414 16.073 22.651 1.00 0.00 C ATOM 0 H LEU A 38 -13.060 17.687 20.218 1.00 0.00 H new ATOM 0 HA LEU A 38 -13.255 15.563 22.219 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -14.766 17.360 23.053 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -15.583 17.395 21.503 1.00 0.00 H new ATOM 0 HG LEU A 38 -15.880 14.754 21.973 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -16.190 14.342 24.386 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -14.510 14.808 24.027 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -15.628 15.993 24.743 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -18.063 15.260 22.976 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -17.523 16.918 23.331 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -17.694 16.380 21.643 1.00 0.00 H new ATOM 607 N ALA A 39 -13.484 14.235 20.143 1.00 0.00 N ATOM 608 CA ALA A 39 -13.781 13.303 19.071 1.00 0.00 C ATOM 609 C ALA A 39 -15.127 12.640 19.370 1.00 0.00 C ATOM 610 O ALA A 39 -15.356 12.217 20.504 1.00 0.00 O ATOM 611 CB ALA A 39 -12.644 12.290 18.987 1.00 0.00 C ATOM 0 H ALA A 39 -12.743 13.924 20.771 1.00 0.00 H new ATOM 0 HA ALA A 39 -13.858 13.803 18.106 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -12.848 11.579 18.186 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -11.708 12.810 18.781 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -12.562 11.756 19.934 1.00 0.00 H new ATOM 617 N ILE A 40 -16.019 12.539 18.374 1.00 0.00 N ATOM 618 CA ILE A 40 -17.313 11.917 18.498 1.00 0.00 C ATOM 619 C ILE A 40 -17.451 10.954 17.316 1.00 0.00 C ATOM 620 O ILE A 40 -17.011 11.228 16.197 1.00 0.00 O ATOM 621 CB ILE A 40 -18.429 12.977 18.538 1.00 0.00 C ATOM 622 CG1 ILE A 40 -18.651 13.790 17.249 1.00 0.00 C ATOM 623 CG2 ILE A 40 -18.301 13.874 19.782 1.00 0.00 C ATOM 624 CD1 ILE A 40 -17.568 14.810 16.928 1.00 0.00 C ATOM 0 H ILE A 40 -15.839 12.904 17.439 1.00 0.00 H new ATOM 0 HA ILE A 40 -17.406 11.365 19.433 1.00 0.00 H new ATOM 0 HB ILE A 40 -19.346 12.393 18.614 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -18.734 13.097 16.412 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -19.605 14.311 17.327 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -19.103 14.612 19.782 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -18.371 13.262 20.681 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -17.338 14.384 19.765 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -17.819 15.328 16.002 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -17.497 15.533 17.741 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -16.612 14.300 16.811 1.00 0.00 H new ATOM 636 N GLU A 41 -18.052 9.807 17.601 1.00 0.00 N ATOM 637 CA GLU A 41 -18.439 8.764 16.682 1.00 0.00 C ATOM 638 C GLU A 41 -19.874 9.048 16.224 1.00 0.00 C ATOM 639 O GLU A 41 -20.789 9.011 17.042 1.00 0.00 O ATOM 640 CB GLU A 41 -18.244 7.422 17.427 1.00 0.00 C ATOM 641 CG GLU A 41 -19.074 6.244 16.897 1.00 0.00 C ATOM 642 CD GLU A 41 -18.565 4.844 17.277 1.00 0.00 C ATOM 643 OE1 GLU A 41 -17.631 4.725 18.105 1.00 0.00 O ATOM 644 OE2 GLU A 41 -19.126 3.890 16.691 1.00 0.00 O ATOM 0 H GLU A 41 -18.298 9.570 18.562 1.00 0.00 H new ATOM 0 HA GLU A 41 -17.838 8.719 15.774 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -17.189 7.151 17.380 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -18.488 7.572 18.479 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -20.096 6.350 17.262 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -19.115 6.313 15.810 1.00 0.00 H new ATOM 651 N LEU A 42 -20.076 9.362 14.933 1.00 0.00 N ATOM 652 CA LEU A 42 -21.399 9.678 14.390 1.00 0.00 C ATOM 653 C LEU A 42 -21.689 8.903 13.112 1.00 0.00 C ATOM 654 O LEU A 42 -20.797 8.330 12.489 1.00 0.00 O ATOM 655 CB LEU A 42 -21.604 11.192 14.183 1.00 0.00 C ATOM 656 CG LEU A 42 -20.938 11.826 12.947 1.00 0.00 C ATOM 657 CD1 LEU A 42 -21.544 13.201 12.700 1.00 0.00 C ATOM 658 CD2 LEU A 42 -19.439 12.051 13.117 1.00 0.00 C ATOM 0 H LEU A 42 -19.327 9.403 14.242 1.00 0.00 H new ATOM 0 HA LEU A 42 -22.121 9.358 15.141 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -22.675 11.384 14.126 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -21.234 11.708 15.069 1.00 0.00 H new ATOM 0 HG LEU A 42 -21.105 11.128 12.126 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -21.075 13.653 11.826 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -22.615 13.101 12.526 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -21.376 13.835 13.571 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -19.033 12.500 12.210 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -19.265 12.718 13.961 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -18.946 11.096 13.301 1.00 0.00 H new ATOM 670 N ASP A 43 -22.964 8.908 12.722 1.00 0.00 N ATOM 671 CA ASP A 43 -23.443 8.234 11.536 1.00 0.00 C ATOM 672 C ASP A 43 -23.089 9.070 10.307 1.00 0.00 C ATOM 673 O ASP A 43 -23.259 10.292 10.309 1.00 0.00 O ATOM 674 CB ASP A 43 -24.953 8.005 11.645 1.00 0.00 C ATOM 675 CG ASP A 43 -25.377 6.944 10.640 1.00 0.00 C ATOM 676 OD1 ASP A 43 -25.259 5.750 10.994 1.00 0.00 O ATOM 677 OD2 ASP A 43 -25.759 7.352 9.523 1.00 0.00 O ATOM 0 H ASP A 43 -23.699 9.392 13.238 1.00 0.00 H new ATOM 0 HA ASP A 43 -22.965 7.259 11.438 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -25.212 7.689 12.655 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -25.488 8.936 11.455 1.00 0.00 H new ATOM 682 N HIS A 44 -22.594 8.403 9.262 1.00 0.00 N ATOM 683 CA HIS A 44 -22.265 9.040 7.998 1.00 0.00 C ATOM 684 C HIS A 44 -23.533 9.469 7.275 1.00 0.00 C ATOM 685 O HIS A 44 -23.603 10.614 6.848 1.00 0.00 O ATOM 686 CB HIS A 44 -21.473 8.045 7.139 1.00 0.00 C ATOM 687 CG HIS A 44 -21.184 8.510 5.729 1.00 0.00 C ATOM 688 ND1 HIS A 44 -22.122 8.785 4.755 1.00 0.00 N ATOM 689 CD2 HIS A 44 -19.948 8.721 5.181 1.00 0.00 C ATOM 690 CE1 HIS A 44 -21.464 9.190 3.659 1.00 0.00 C ATOM 691 NE2 HIS A 44 -20.140 9.148 3.863 1.00 0.00 N ATOM 0 H HIS A 44 -22.411 7.400 9.276 1.00 0.00 H new ATOM 0 HA HIS A 44 -21.663 9.930 8.181 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -20.527 7.831 7.636 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -22.027 7.108 7.090 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -23.134 8.696 4.851 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -18.998 8.583 5.676 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -21.935 9.506 2.740 1.00 0.00 H new ATOM 699 N ASP A 45 -24.500 8.563 7.083 1.00 0.00 N ATOM 700 CA ASP A 45 -25.703 8.833 6.291 1.00 0.00 C ATOM 701 C ASP A 45 -26.518 9.998 6.865 1.00 0.00 C ATOM 702 O ASP A 45 -27.087 10.789 6.111 1.00 0.00 O ATOM 703 CB ASP A 45 -26.559 7.567 6.199 1.00 0.00 C ATOM 704 CG ASP A 45 -27.600 7.693 5.087 1.00 0.00 C ATOM 705 OD1 ASP A 45 -27.170 7.693 3.911 1.00 0.00 O ATOM 706 OD2 ASP A 45 -28.801 7.784 5.425 1.00 0.00 O ATOM 0 H ASP A 45 -24.469 7.621 7.474 1.00 0.00 H new ATOM 0 HA ASP A 45 -25.387 9.127 5.290 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -25.920 6.704 6.009 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -27.058 7.390 7.152 1.00 0.00 H new ATOM 711 N LYS A 46 -26.487 10.141 8.197 1.00 0.00 N ATOM 712 CA LYS A 46 -26.940 11.313 8.932 1.00 0.00 C ATOM 713 C LYS A 46 -26.146 12.528 8.453 1.00 0.00 C ATOM 714 O LYS A 46 -26.669 13.327 7.674 1.00 0.00 O ATOM 715 CB LYS A 46 -26.744 11.013 10.426 1.00 0.00 C ATOM 716 CG LYS A 46 -27.019 12.148 11.413 1.00 0.00 C ATOM 717 CD LYS A 46 -26.658 11.730 12.848 1.00 0.00 C ATOM 718 CE LYS A 46 -27.872 11.120 13.539 1.00 0.00 C ATOM 719 NZ LYS A 46 -27.498 10.078 14.513 1.00 0.00 N ATOM 0 H LYS A 46 -26.129 9.409 8.810 1.00 0.00 H new ATOM 0 HA LYS A 46 -27.993 11.539 8.763 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -27.389 10.174 10.689 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -25.716 10.682 10.571 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -26.441 13.028 11.131 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -28.071 12.429 11.366 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -25.840 11.009 12.830 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -26.307 12.596 13.410 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -28.430 11.906 14.048 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -28.537 10.691 12.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -28.328 9.826 15.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -27.158 9.236 14.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -26.744 10.437 15.133 1.00 0.00 H new ATOM 733 N VAL A 47 -24.890 12.686 8.904 1.00 0.00 N ATOM 734 CA VAL A 47 -24.164 13.934 8.711 1.00 0.00 C ATOM 735 C VAL A 47 -23.967 14.314 7.246 1.00 0.00 C ATOM 736 O VAL A 47 -23.817 15.485 6.929 1.00 0.00 O ATOM 737 CB VAL A 47 -22.844 13.872 9.450 1.00 0.00 C ATOM 738 CG1 VAL A 47 -21.799 13.061 8.724 1.00 0.00 C ATOM 739 CG2 VAL A 47 -22.287 15.271 9.694 1.00 0.00 C ATOM 0 H VAL A 47 -24.367 11.965 9.401 1.00 0.00 H new ATOM 0 HA VAL A 47 -24.781 14.730 9.127 1.00 0.00 H new ATOM 0 HB VAL A 47 -23.062 13.379 10.398 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -20.876 13.054 9.304 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -22.155 12.039 8.597 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -21.610 13.503 7.746 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -21.339 15.197 10.226 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -22.129 15.771 8.739 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -22.995 15.845 10.292 1.00 0.00 H new ATOM 749 N MET A 48 -23.996 13.325 6.360 1.00 0.00 N ATOM 750 CA MET A 48 -24.083 13.494 4.928 1.00 0.00 C ATOM 751 C MET A 48 -25.235 14.433 4.613 1.00 0.00 C ATOM 752 O MET A 48 -24.986 15.541 4.168 1.00 0.00 O ATOM 753 CB MET A 48 -24.184 12.148 4.201 1.00 0.00 C ATOM 754 CG MET A 48 -24.641 12.277 2.741 1.00 0.00 C ATOM 755 SD MET A 48 -23.891 13.546 1.674 1.00 0.00 S ATOM 756 CE MET A 48 -22.133 13.324 2.011 1.00 0.00 C ATOM 0 H MET A 48 -23.958 12.345 6.640 1.00 0.00 H new ATOM 0 HA MET A 48 -23.164 13.947 4.555 1.00 0.00 H new ATOM 0 HB2 MET A 48 -23.212 11.655 4.228 1.00 0.00 H new ATOM 0 HB3 MET A 48 -24.882 11.505 4.737 1.00 0.00 H new ATOM 0 HG2 MET A 48 -24.480 11.311 2.262 1.00 0.00 H new ATOM 0 HG3 MET A 48 -25.717 12.453 2.750 1.00 0.00 H new ATOM 0 HE1 MET A 48 -21.549 13.866 1.267 1.00 0.00 H new ATOM 0 HE2 MET A 48 -21.902 13.708 3.004 1.00 0.00 H new ATOM 0 HE3 MET A 48 -21.885 12.264 1.966 1.00 0.00 H new ATOM 766 N ASN A 49 -26.478 14.063 4.912 1.00 0.00 N ATOM 767 CA ASN A 49 -27.618 14.945 4.704 1.00 0.00 C ATOM 768 C ASN A 49 -27.485 16.291 5.421 1.00 0.00 C ATOM 769 O ASN A 49 -28.167 17.246 5.046 1.00 0.00 O ATOM 770 CB ASN A 49 -28.855 14.213 5.222 1.00 0.00 C ATOM 771 CG ASN A 49 -30.167 14.981 5.101 1.00 0.00 C ATOM 772 OD1 ASN A 49 -30.455 15.621 4.093 1.00 0.00 O ATOM 773 ND2 ASN A 49 -30.986 14.903 6.147 1.00 0.00 N ATOM 0 H ASN A 49 -26.720 13.152 5.301 1.00 0.00 H new ATOM 0 HA ASN A 49 -27.685 15.175 3.641 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -28.953 13.272 4.681 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -28.696 13.962 6.271 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -31.885 15.384 6.128 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -30.714 14.362 6.968 1.00 0.00 H new ATOM 780 N MET A 50 -26.609 16.391 6.427 1.00 0.00 N ATOM 781 CA MET A 50 -26.459 17.590 7.201 1.00 0.00 C ATOM 782 C MET A 50 -25.493 18.541 6.475 1.00 0.00 C ATOM 783 O MET A 50 -25.937 19.574 5.996 1.00 0.00 O ATOM 784 CB MET A 50 -26.010 17.199 8.606 1.00 0.00 C ATOM 785 CG MET A 50 -26.832 16.142 9.306 1.00 0.00 C ATOM 786 SD MET A 50 -28.480 16.594 9.872 1.00 0.00 S ATOM 787 CE MET A 50 -28.310 15.826 11.497 1.00 0.00 C ATOM 0 H MET A 50 -25.991 15.632 6.714 1.00 0.00 H new ATOM 0 HA MET A 50 -27.398 18.133 7.305 1.00 0.00 H new ATOM 0 HB2 MET A 50 -24.980 16.848 8.550 1.00 0.00 H new ATOM 0 HB3 MET A 50 -26.008 18.096 9.226 1.00 0.00 H new ATOM 0 HG2 MET A 50 -26.932 15.294 8.629 1.00 0.00 H new ATOM 0 HG3 MET A 50 -26.265 15.795 10.170 1.00 0.00 H new ATOM 0 HE1 MET A 50 -29.269 15.411 11.805 1.00 0.00 H new ATOM 0 HE2 MET A 50 -27.569 15.029 11.447 1.00 0.00 H new ATOM 0 HE3 MET A 50 -27.989 16.575 12.221 1.00 0.00 H new ATOM 797 N GLN A 51 -24.201 18.200 6.322 1.00 0.00 N ATOM 798 CA GLN A 51 -23.236 19.009 5.544 1.00 0.00 C ATOM 799 C GLN A 51 -23.608 19.171 4.069 1.00 0.00 C ATOM 800 O GLN A 51 -22.986 19.965 3.364 1.00 0.00 O ATOM 801 CB GLN A 51 -21.780 18.520 5.697 1.00 0.00 C ATOM 802 CG GLN A 51 -21.341 17.142 5.208 1.00 0.00 C ATOM 803 CD GLN A 51 -21.501 16.960 3.714 1.00 0.00 C ATOM 804 OE1 GLN A 51 -20.693 17.429 2.920 1.00 0.00 O ATOM 805 NE2 GLN A 51 -22.555 16.257 3.338 1.00 0.00 N ATOM 0 H GLN A 51 -23.794 17.359 6.731 1.00 0.00 H new ATOM 0 HA GLN A 51 -23.299 20.002 5.989 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -21.147 19.250 5.193 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -21.540 18.569 6.759 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -20.297 16.984 5.477 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -21.922 16.378 5.725 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -23.198 15.888 4.038 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -22.725 16.083 2.347 1.00 0.00 H new ATOM 814 N ALA A 52 -24.624 18.438 3.604 1.00 0.00 N ATOM 815 CA ALA A 52 -25.173 18.528 2.287 1.00 0.00 C ATOM 816 C ALA A 52 -26.009 19.802 2.105 1.00 0.00 C ATOM 817 O ALA A 52 -26.466 20.033 0.986 1.00 0.00 O ATOM 818 CB ALA A 52 -25.941 17.243 1.975 1.00 0.00 C ATOM 0 H ALA A 52 -25.094 17.739 4.179 1.00 0.00 H new ATOM 0 HA ALA A 52 -24.367 18.617 1.559 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -26.362 17.305 0.972 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -25.263 16.391 2.032 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -26.746 17.115 2.699 1.00 0.00 H new ATOM 824 N LYS A 53 -26.175 20.653 3.143 1.00 0.00 N ATOM 825 CA LYS A 53 -26.609 22.030 2.920 1.00 0.00 C ATOM 826 C LYS A 53 -25.598 22.993 3.532 1.00 0.00 C ATOM 827 O LYS A 53 -24.845 22.627 4.432 1.00 0.00 O ATOM 828 CB LYS A 53 -28.041 22.262 3.426 1.00 0.00 C ATOM 829 CG LYS A 53 -28.223 22.105 4.944 1.00 0.00 C ATOM 830 CD LYS A 53 -28.595 20.681 5.348 1.00 0.00 C ATOM 831 CE LYS A 53 -30.068 20.341 5.085 1.00 0.00 C ATOM 832 NZ LYS A 53 -30.210 19.099 4.295 1.00 0.00 N ATOM 0 H LYS A 53 -26.016 20.407 4.120 1.00 0.00 H new ATOM 0 HA LYS A 53 -26.643 22.224 1.848 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -28.354 23.266 3.139 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -28.707 21.563 2.920 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -27.300 22.392 5.448 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -28.999 22.790 5.286 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -27.964 19.979 4.802 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -28.381 20.544 6.408 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -30.591 20.230 6.035 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -30.543 21.166 4.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -31.139 18.671 4.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -30.131 19.321 3.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -29.460 18.430 4.562 1.00 0.00 H new ATOM 846 N ALA A 54 -25.597 24.237 3.047 1.00 0.00 N ATOM 847 CA ALA A 54 -24.649 25.241 3.510 1.00 0.00 C ATOM 848 C ALA A 54 -24.997 25.776 4.897 1.00 0.00 C ATOM 849 O ALA A 54 -24.103 26.205 5.622 1.00 0.00 O ATOM 850 CB ALA A 54 -24.575 26.388 2.497 1.00 0.00 C ATOM 0 H ALA A 54 -26.245 24.569 2.333 1.00 0.00 H new ATOM 0 HA ALA A 54 -23.674 24.760 3.593 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -23.865 27.137 2.847 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -24.248 26.001 1.532 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -25.560 26.843 2.390 1.00 0.00 H new ATOM 856 N GLU A 55 -26.272 25.677 5.288 1.00 0.00 N ATOM 857 CA GLU A 55 -26.795 25.988 6.606 1.00 0.00 C ATOM 858 C GLU A 55 -26.103 25.165 7.706 1.00 0.00 C ATOM 859 O GLU A 55 -26.149 25.531 8.873 1.00 0.00 O ATOM 860 CB GLU A 55 -28.306 25.696 6.632 1.00 0.00 C ATOM 861 CG GLU A 55 -29.124 26.244 5.450 1.00 0.00 C ATOM 862 CD GLU A 55 -30.564 25.727 5.505 1.00 0.00 C ATOM 863 OE1 GLU A 55 -30.789 24.619 4.966 1.00 0.00 O ATOM 864 OE2 GLU A 55 -31.414 26.434 6.087 1.00 0.00 O ATOM 0 H GLU A 55 -27.002 25.359 4.650 1.00 0.00 H new ATOM 0 HA GLU A 55 -26.602 27.042 6.804 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -28.446 24.616 6.674 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -28.718 26.106 7.554 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -29.122 27.334 5.474 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -28.660 25.945 4.510 1.00 0.00 H new ATOM 871 N PHE A 56 -25.452 24.053 7.350 1.00 0.00 N ATOM 872 CA PHE A 56 -24.747 23.202 8.290 1.00 0.00 C ATOM 873 C PHE A 56 -23.426 23.795 8.742 1.00 0.00 C ATOM 874 O PHE A 56 -23.076 23.731 9.919 1.00 0.00 O ATOM 875 CB PHE A 56 -24.457 21.886 7.586 1.00 0.00 C ATOM 876 CG PHE A 56 -23.584 20.882 8.313 1.00 0.00 C ATOM 877 CD1 PHE A 56 -22.183 20.877 8.173 1.00 0.00 C ATOM 878 CD2 PHE A 56 -24.206 19.858 9.030 1.00 0.00 C ATOM 879 CE1 PHE A 56 -21.431 19.821 8.718 1.00 0.00 C ATOM 880 CE2 PHE A 56 -23.457 18.791 9.549 1.00 0.00 C ATOM 881 CZ PHE A 56 -22.072 18.760 9.373 1.00 0.00 C ATOM 0 H PHE A 56 -25.404 23.722 6.386 1.00 0.00 H new ATOM 0 HA PHE A 56 -25.373 23.080 9.174 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -25.410 21.405 7.365 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -23.985 22.113 6.630 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -21.688 21.681 7.649 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -25.274 19.887 9.187 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -20.354 19.827 8.632 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -23.951 17.994 10.084 1.00 0.00 H new ATOM 0 HZ PHE A 56 -21.497 17.922 9.740 1.00 0.00 H new ATOM 891 N TYR A 57 -22.653 24.285 7.772 1.00 0.00 N ATOM 892 CA TYR A 57 -21.349 24.847 8.073 1.00 0.00 C ATOM 893 C TYR A 57 -21.458 26.324 8.463 1.00 0.00 C ATOM 894 O TYR A 57 -20.635 26.827 9.228 1.00 0.00 O ATOM 895 CB TYR A 57 -20.390 24.609 6.892 1.00 0.00 C ATOM 896 CG TYR A 57 -20.638 25.375 5.602 1.00 0.00 C ATOM 897 CD1 TYR A 57 -20.334 26.750 5.521 1.00 0.00 C ATOM 898 CD2 TYR A 57 -21.073 24.692 4.448 1.00 0.00 C ATOM 899 CE1 TYR A 57 -20.499 27.448 4.313 1.00 0.00 C ATOM 900 CE2 TYR A 57 -21.210 25.376 3.227 1.00 0.00 C ATOM 901 CZ TYR A 57 -20.936 26.762 3.157 1.00 0.00 C ATOM 902 OH TYR A 57 -21.081 27.436 1.981 1.00 0.00 O ATOM 0 H TYR A 57 -22.909 24.302 6.785 1.00 0.00 H new ATOM 0 HA TYR A 57 -20.931 24.337 8.941 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -19.380 24.843 7.230 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -20.409 23.545 6.657 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -19.971 27.271 6.395 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -21.302 23.638 4.502 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -20.292 28.507 4.268 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -21.525 24.843 2.342 1.00 0.00 H new ATOM 0 HH TYR A 57 -21.388 26.818 1.285 1.00 0.00 H new ATOM 912 N SER A 58 -22.486 27.001 7.941 1.00 0.00 N ATOM 913 CA SER A 58 -22.769 28.405 8.184 1.00 0.00 C ATOM 914 C SER A 58 -23.432 28.590 9.550 1.00 0.00 C ATOM 915 O SER A 58 -23.130 29.565 10.239 1.00 0.00 O ATOM 916 CB SER A 58 -23.678 28.927 7.063 1.00 0.00 C ATOM 917 OG SER A 58 -23.872 30.321 7.170 1.00 0.00 O ATOM 0 H SER A 58 -23.164 26.564 7.316 1.00 0.00 H new ATOM 0 HA SER A 58 -21.838 28.971 8.189 1.00 0.00 H new ATOM 0 HB2 SER A 58 -23.237 28.692 6.094 1.00 0.00 H new ATOM 0 HB3 SER A 58 -24.641 28.419 7.106 1.00 0.00 H new ATOM 0 HG SER A 58 -24.453 30.627 6.443 1.00 0.00 H new ATOM 923 N GLU A 59 -24.315 27.660 9.951 1.00 0.00 N ATOM 924 CA GLU A 59 -25.137 27.789 11.142 1.00 0.00 C ATOM 925 C GLU A 59 -24.934 26.541 11.999 1.00 0.00 C ATOM 926 O GLU A 59 -24.658 25.454 11.498 1.00 0.00 O ATOM 927 CB GLU A 59 -26.627 28.054 10.817 1.00 0.00 C ATOM 928 CG GLU A 59 -27.000 28.529 9.391 1.00 0.00 C ATOM 929 CD GLU A 59 -28.185 29.497 9.393 1.00 0.00 C ATOM 930 OE1 GLU A 59 -29.250 29.103 9.918 1.00 0.00 O ATOM 931 OE2 GLU A 59 -28.008 30.617 8.865 1.00 0.00 O ATOM 0 H GLU A 59 -24.472 26.790 9.443 1.00 0.00 H new ATOM 0 HA GLU A 59 -24.821 28.668 11.703 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -27.178 27.134 11.015 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -26.992 28.802 11.521 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -26.137 29.015 8.935 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -27.242 27.664 8.774 1.00 0.00 H new ATOM 938 N VAL A 60 -25.027 26.718 13.314 1.00 0.00 N ATOM 939 CA VAL A 60 -24.618 25.724 14.293 1.00 0.00 C ATOM 940 C VAL A 60 -25.499 24.469 14.264 1.00 0.00 C ATOM 941 O VAL A 60 -26.683 24.517 13.928 1.00 0.00 O ATOM 942 CB VAL A 60 -24.553 26.430 15.659 1.00 0.00 C ATOM 943 CG1 VAL A 60 -25.919 26.953 16.138 1.00 0.00 C ATOM 944 CG2 VAL A 60 -23.909 25.572 16.727 1.00 0.00 C ATOM 0 H VAL A 60 -25.395 27.572 13.733 1.00 0.00 H new ATOM 0 HA VAL A 60 -23.630 25.330 14.056 1.00 0.00 H new ATOM 0 HB VAL A 60 -23.915 27.298 15.495 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -25.803 27.440 17.106 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -26.308 27.671 15.415 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -26.615 26.120 16.232 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -23.889 26.119 17.670 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -24.484 24.654 16.852 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -22.890 25.325 16.429 1.00 0.00 H new ATOM 954 N LEU A 61 -24.893 23.344 14.656 1.00 0.00 N ATOM 955 CA LEU A 61 -25.482 22.020 14.759 1.00 0.00 C ATOM 956 C LEU A 61 -25.468 21.602 16.233 1.00 0.00 C ATOM 957 O LEU A 61 -24.650 22.117 16.994 1.00 0.00 O ATOM 958 CB LEU A 61 -24.604 21.030 13.985 1.00 0.00 C ATOM 959 CG LEU A 61 -24.118 21.442 12.576 1.00 0.00 C ATOM 960 CD1 LEU A 61 -23.082 20.430 12.096 1.00 0.00 C ATOM 961 CD2 LEU A 61 -25.192 21.572 11.492 1.00 0.00 C ATOM 0 H LEU A 61 -23.910 23.343 14.927 1.00 0.00 H new ATOM 0 HA LEU A 61 -26.497 22.027 14.362 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -23.725 20.817 14.593 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -25.158 20.097 13.888 1.00 0.00 H new ATOM 0 HG LEU A 61 -23.718 22.447 12.708 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -22.732 20.711 11.103 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -22.239 20.416 12.787 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -23.534 19.439 12.055 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -24.726 21.865 10.551 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -25.697 20.615 11.364 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -25.918 22.329 11.788 1.00 0.00 H new ATOM 973 N THR A 62 -26.288 20.619 16.633 1.00 0.00 N ATOM 974 CA THR A 62 -26.330 20.151 18.014 1.00 0.00 C ATOM 975 C THR A 62 -25.924 18.677 18.065 1.00 0.00 C ATOM 976 O THR A 62 -26.742 17.801 17.826 1.00 0.00 O ATOM 977 CB THR A 62 -27.717 20.380 18.626 1.00 0.00 C ATOM 978 OG1 THR A 62 -28.214 21.683 18.385 1.00 0.00 O ATOM 979 CG2 THR A 62 -27.651 20.140 20.132 1.00 0.00 C ATOM 0 H THR A 62 -26.933 20.134 16.009 1.00 0.00 H new ATOM 0 HA THR A 62 -25.621 20.724 18.611 1.00 0.00 H new ATOM 0 HB THR A 62 -28.400 19.677 18.149 1.00 0.00 H new ATOM 0 HG1 THR A 62 -29.100 21.776 18.794 1.00 0.00 H new ATOM 0 HG21 THR A 62 -28.636 20.302 20.570 1.00 0.00 H new ATOM 0 HG22 THR A 62 -27.333 19.115 20.324 1.00 0.00 H new ATOM 0 HG23 THR A 62 -26.937 20.831 20.580 1.00 0.00 H new ATOM 987 N ILE A 63 -24.664 18.362 18.345 1.00 0.00 N ATOM 988 CA ILE A 63 -24.202 16.993 18.442 1.00 0.00 C ATOM 989 C ILE A 63 -24.531 16.374 19.796 1.00 0.00 C ATOM 990 O ILE A 63 -23.964 16.735 20.821 1.00 0.00 O ATOM 991 CB ILE A 63 -22.728 16.964 18.009 1.00 0.00 C ATOM 992 CG1 ILE A 63 -22.705 16.869 16.487 1.00 0.00 C ATOM 993 CG2 ILE A 63 -21.981 15.740 18.472 1.00 0.00 C ATOM 994 CD1 ILE A 63 -21.961 17.936 15.789 1.00 0.00 C ATOM 0 H ILE A 63 -23.936 19.056 18.511 1.00 0.00 H new ATOM 0 HA ILE A 63 -24.739 16.334 17.760 1.00 0.00 H new ATOM 0 HB ILE A 63 -22.262 17.853 18.434 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -22.273 15.908 16.208 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -23.733 16.873 16.126 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -20.948 15.792 18.128 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -21.999 15.693 19.561 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -22.455 14.848 18.063 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -22.010 17.770 14.713 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -22.403 18.903 16.027 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -20.920 17.924 16.111 1.00 0.00 H new ATOM 1006 N VAL A 64 -25.486 15.440 19.760 1.00 0.00 N ATOM 1007 CA VAL A 64 -26.114 14.816 20.913 1.00 0.00 C ATOM 1008 C VAL A 64 -25.376 13.513 21.212 1.00 0.00 C ATOM 1009 O VAL A 64 -25.793 12.439 20.783 1.00 0.00 O ATOM 1010 CB VAL A 64 -27.629 14.666 20.698 1.00 0.00 C ATOM 1011 CG1 VAL A 64 -28.351 14.085 21.910 1.00 0.00 C ATOM 1012 CG2 VAL A 64 -28.257 16.032 20.422 1.00 0.00 C ATOM 0 H VAL A 64 -25.856 15.085 18.878 1.00 0.00 H new ATOM 0 HA VAL A 64 -26.030 15.444 21.800 1.00 0.00 H new ATOM 0 HB VAL A 64 -27.742 13.984 19.856 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -29.416 14.004 21.695 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -27.950 13.096 22.133 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -28.203 14.739 22.770 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -29.330 15.915 20.271 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -28.080 16.692 21.271 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -27.810 16.464 19.527 1.00 0.00 H new ATOM 1022 N VAL A 65 -24.247 13.643 21.912 1.00 0.00 N ATOM 1023 CA VAL A 65 -23.371 12.561 22.341 1.00 0.00 C ATOM 1024 C VAL A 65 -24.029 11.825 23.501 1.00 0.00 C ATOM 1025 O VAL A 65 -23.942 12.253 24.649 1.00 0.00 O ATOM 1026 CB VAL A 65 -21.942 13.064 22.621 1.00 0.00 C ATOM 1027 CG1 VAL A 65 -21.376 13.638 21.329 1.00 0.00 C ATOM 1028 CG2 VAL A 65 -21.820 14.152 23.690 1.00 0.00 C ATOM 0 H VAL A 65 -23.905 14.557 22.209 1.00 0.00 H new ATOM 0 HA VAL A 65 -23.240 11.836 21.538 1.00 0.00 H new ATOM 0 HB VAL A 65 -21.400 12.197 22.998 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -20.363 14.001 21.505 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -21.356 12.862 20.564 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -22.003 14.463 20.992 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -20.773 14.432 23.806 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -22.398 15.026 23.388 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -22.202 13.775 24.638 1.00 0.00 H new ATOM 1038 N ASP A 66 -24.737 10.737 23.177 1.00 0.00 N ATOM 1039 CA ASP A 66 -25.445 9.899 24.146 1.00 0.00 C ATOM 1040 C ASP A 66 -26.476 10.690 24.982 1.00 0.00 C ATOM 1041 O ASP A 66 -26.815 10.304 26.099 1.00 0.00 O ATOM 1042 CB ASP A 66 -24.398 9.136 24.981 1.00 0.00 C ATOM 1043 CG ASP A 66 -24.992 7.993 25.809 1.00 0.00 C ATOM 1044 OD1 ASP A 66 -25.783 7.214 25.230 1.00 0.00 O ATOM 1045 OD2 ASP A 66 -24.618 7.895 26.999 1.00 0.00 O ATOM 0 H ASP A 66 -24.834 10.410 22.216 1.00 0.00 H new ATOM 0 HA ASP A 66 -26.061 9.167 23.623 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -23.636 8.733 24.314 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -23.898 9.836 25.650 1.00 0.00 H new ATOM 1050 N GLY A 67 -26.970 11.815 24.441 1.00 0.00 N ATOM 1051 CA GLY A 67 -27.935 12.700 25.091 1.00 0.00 C ATOM 1052 C GLY A 67 -27.347 14.032 25.572 1.00 0.00 C ATOM 1053 O GLY A 67 -28.101 14.861 26.077 1.00 0.00 O ATOM 0 H GLY A 67 -26.698 12.138 23.513 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -28.748 12.906 24.395 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -28.370 12.179 25.944 1.00 0.00 H new ATOM 1057 N LYS A 68 -26.032 14.261 25.425 1.00 0.00 N ATOM 1058 CA LYS A 68 -25.371 15.510 25.798 1.00 0.00 C ATOM 1059 C LYS A 68 -25.351 16.385 24.553 1.00 0.00 C ATOM 1060 O LYS A 68 -24.786 15.966 23.553 1.00 0.00 O ATOM 1061 CB LYS A 68 -23.934 15.218 26.259 1.00 0.00 C ATOM 1062 CG LYS A 68 -23.554 15.920 27.562 1.00 0.00 C ATOM 1063 CD LYS A 68 -22.072 15.686 27.904 1.00 0.00 C ATOM 1064 CE LYS A 68 -21.794 14.221 28.264 1.00 0.00 C ATOM 1065 NZ LYS A 68 -20.368 13.999 28.572 1.00 0.00 N ATOM 0 H LYS A 68 -25.392 13.568 25.036 1.00 0.00 H new ATOM 0 HA LYS A 68 -25.895 16.006 26.615 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -23.814 14.142 26.388 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -23.241 15.524 25.476 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -23.745 16.989 27.472 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -24.181 15.551 28.374 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -21.453 15.975 27.055 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -21.786 16.326 28.739 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -22.401 13.935 29.123 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -22.092 13.579 27.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -20.216 12.998 28.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -19.791 14.249 27.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -20.090 14.594 29.379 1.00 0.00 H new ATOM 1079 N GLU A 69 -25.973 17.562 24.581 1.00 0.00 N ATOM 1080 CA GLU A 69 -26.320 18.307 23.376 1.00 0.00 C ATOM 1081 C GLU A 69 -25.304 19.426 23.120 1.00 0.00 C ATOM 1082 O GLU A 69 -25.338 20.447 23.808 1.00 0.00 O ATOM 1083 CB GLU A 69 -27.762 18.812 23.533 1.00 0.00 C ATOM 1084 CG GLU A 69 -28.712 17.653 23.873 1.00 0.00 C ATOM 1085 CD GLU A 69 -30.159 17.993 23.519 1.00 0.00 C ATOM 1086 OE1 GLU A 69 -30.538 17.725 22.356 1.00 0.00 O ATOM 1087 OE2 GLU A 69 -30.858 18.533 24.404 1.00 0.00 O ATOM 0 H GLU A 69 -26.251 18.027 25.445 1.00 0.00 H new ATOM 0 HA GLU A 69 -26.276 17.671 22.492 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -27.805 19.566 24.319 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -28.085 19.295 22.611 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -28.404 16.758 23.332 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -28.641 17.423 24.936 1.00 0.00 H new ATOM 1094 N ILE A 70 -24.375 19.222 22.167 1.00 0.00 N ATOM 1095 CA ILE A 70 -23.197 20.093 22.023 1.00 0.00 C ATOM 1096 C ILE A 70 -23.366 21.000 20.800 1.00 0.00 C ATOM 1097 O ILE A 70 -23.562 20.502 19.696 1.00 0.00 O ATOM 1098 CB ILE A 70 -21.891 19.256 21.951 1.00 0.00 C ATOM 1099 CG1 ILE A 70 -21.372 18.771 23.320 1.00 0.00 C ATOM 1100 CG2 ILE A 70 -20.766 20.081 21.338 1.00 0.00 C ATOM 1101 CD1 ILE A 70 -22.279 17.731 23.949 1.00 0.00 C ATOM 0 H ILE A 70 -24.419 18.463 21.487 1.00 0.00 H new ATOM 0 HA ILE A 70 -23.115 20.729 22.905 1.00 0.00 H new ATOM 0 HB ILE A 70 -22.156 18.387 21.348 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -20.373 18.352 23.199 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -21.280 19.623 23.993 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -19.857 19.481 21.294 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -21.047 20.388 20.331 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -20.588 20.965 21.950 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -21.868 17.424 24.911 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -23.272 18.156 24.098 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -22.350 16.865 23.291 1.00 0.00 H new ATOM 1113 N LYS A 71 -23.217 22.322 20.967 1.00 0.00 N ATOM 1114 CA LYS A 71 -23.263 23.268 19.865 1.00 0.00 C ATOM 1115 C LYS A 71 -21.915 23.358 19.188 1.00 0.00 C ATOM 1116 O LYS A 71 -20.927 23.678 19.845 1.00 0.00 O ATOM 1117 CB LYS A 71 -23.741 24.653 20.338 1.00 0.00 C ATOM 1118 CG LYS A 71 -25.252 24.719 20.605 1.00 0.00 C ATOM 1119 CD LYS A 71 -26.048 24.082 19.453 1.00 0.00 C ATOM 1120 CE LYS A 71 -27.254 24.868 18.978 1.00 0.00 C ATOM 1121 NZ LYS A 71 -28.326 24.910 19.988 1.00 0.00 N ATOM 0 H LYS A 71 -23.061 22.757 21.876 1.00 0.00 H new ATOM 0 HA LYS A 71 -23.987 22.904 19.136 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -23.207 24.922 21.249 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -23.480 25.396 19.584 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -25.482 24.204 21.538 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -25.557 25.758 20.731 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -25.376 23.936 18.608 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -26.382 23.094 19.769 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -26.949 25.885 18.733 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -27.639 24.421 18.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -29.129 25.458 19.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -28.637 23.942 20.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -27.969 25.360 20.855 1.00 0.00 H new ATOM 1135 N VAL A 72 -21.901 23.088 17.873 1.00 0.00 N ATOM 1136 CA VAL A 72 -20.727 23.186 17.010 1.00 0.00 C ATOM 1137 C VAL A 72 -21.102 23.440 15.554 1.00 0.00 C ATOM 1138 O VAL A 72 -22.222 23.161 15.156 1.00 0.00 O ATOM 1139 CB VAL A 72 -19.913 21.897 17.066 1.00 0.00 C ATOM 1140 CG1 VAL A 72 -19.412 21.560 18.442 1.00 0.00 C ATOM 1141 CG2 VAL A 72 -20.682 20.675 16.556 1.00 0.00 C ATOM 0 H VAL A 72 -22.736 22.786 17.371 1.00 0.00 H new ATOM 0 HA VAL A 72 -20.143 24.029 17.380 1.00 0.00 H new ATOM 0 HB VAL A 72 -19.069 22.110 16.410 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -18.842 20.632 18.404 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -18.771 22.365 18.803 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -20.259 21.439 19.118 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -20.047 19.792 16.623 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -21.574 20.527 17.164 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -20.973 20.835 15.518 1.00 0.00 H new ATOM 1151 N LYS A 73 -20.157 23.901 14.732 1.00 0.00 N ATOM 1152 CA LYS A 73 -20.413 24.273 13.335 1.00 0.00 C ATOM 1153 C LYS A 73 -19.187 23.951 12.507 1.00 0.00 C ATOM 1154 O LYS A 73 -18.065 24.203 12.941 1.00 0.00 O ATOM 1155 CB LYS A 73 -20.760 25.766 13.184 1.00 0.00 C ATOM 1156 CG LYS A 73 -20.311 26.592 14.391 1.00 0.00 C ATOM 1157 CD LYS A 73 -20.681 28.056 14.314 1.00 0.00 C ATOM 1158 CE LYS A 73 -20.029 28.797 13.133 1.00 0.00 C ATOM 1159 NZ LYS A 73 -18.552 28.697 13.132 1.00 0.00 N ATOM 0 H LYS A 73 -19.186 24.028 15.017 1.00 0.00 H new ATOM 0 HA LYS A 73 -21.274 23.702 12.987 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -20.287 26.157 12.283 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -21.837 25.875 13.052 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -20.750 26.165 15.293 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -19.229 26.507 14.493 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -21.764 28.144 14.233 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -20.390 28.545 15.244 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -20.416 28.391 12.198 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -20.317 29.848 13.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -18.149 29.508 12.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -18.203 28.698 14.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -18.264 27.815 12.663 1.00 0.00 H new ATOM 1173 N ALA A 74 -19.422 23.385 11.325 1.00 0.00 N ATOM 1174 CA ALA A 74 -18.372 22.806 10.511 1.00 0.00 C ATOM 1175 C ALA A 74 -17.420 23.856 9.963 1.00 0.00 C ATOM 1176 O ALA A 74 -17.863 24.903 9.492 1.00 0.00 O ATOM 1177 CB ALA A 74 -19.007 22.006 9.390 1.00 0.00 C ATOM 0 H ALA A 74 -20.351 23.318 10.909 1.00 0.00 H new ATOM 0 HA ALA A 74 -17.769 22.149 11.139 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -18.226 21.565 8.770 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -19.625 21.214 9.813 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -19.627 22.663 8.780 1.00 0.00 H new ATOM 1183 N GLN A 75 -16.123 23.526 9.983 1.00 0.00 N ATOM 1184 CA GLN A 75 -15.055 24.359 9.435 1.00 0.00 C ATOM 1185 C GLN A 75 -14.264 23.621 8.343 1.00 0.00 C ATOM 1186 O GLN A 75 -13.614 24.281 7.534 1.00 0.00 O ATOM 1187 CB GLN A 75 -14.167 24.888 10.580 1.00 0.00 C ATOM 1188 CG GLN A 75 -14.342 26.393 10.885 1.00 0.00 C ATOM 1189 CD GLN A 75 -15.790 26.879 11.049 1.00 0.00 C ATOM 1190 OE1 GLN A 75 -16.417 26.752 12.097 1.00 0.00 O ATOM 1191 NE2 GLN A 75 -16.337 27.500 10.009 1.00 0.00 N ATOM 0 H GLN A 75 -15.784 22.654 10.390 1.00 0.00 H new ATOM 0 HA GLN A 75 -15.494 25.224 8.938 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -14.385 24.319 11.484 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -13.123 24.700 10.329 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -13.795 26.625 11.799 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -13.876 26.964 10.082 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -15.811 27.602 9.141 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -17.283 27.875 10.079 1.00 0.00 H new ATOM 1200 N ASP A 76 -14.388 22.288 8.255 1.00 0.00 N ATOM 1201 CA ASP A 76 -13.984 21.458 7.138 1.00 0.00 C ATOM 1202 C ASP A 76 -14.764 20.153 7.259 1.00 0.00 C ATOM 1203 O ASP A 76 -14.739 19.476 8.287 1.00 0.00 O ATOM 1204 CB ASP A 76 -12.475 21.170 7.118 1.00 0.00 C ATOM 1205 CG ASP A 76 -12.123 20.269 5.930 1.00 0.00 C ATOM 1206 OD1 ASP A 76 -12.083 20.809 4.803 1.00 0.00 O ATOM 1207 OD2 ASP A 76 -11.931 19.053 6.156 1.00 0.00 O ATOM 0 H ASP A 76 -14.798 21.740 9.012 1.00 0.00 H new ATOM 0 HA ASP A 76 -14.198 21.982 6.206 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -11.920 22.106 7.051 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -12.177 20.689 8.049 1.00 0.00 H new ATOM 1212 N VAL A 77 -15.465 19.812 6.184 1.00 0.00 N ATOM 1213 CA VAL A 77 -15.947 18.478 5.891 1.00 0.00 C ATOM 1214 C VAL A 77 -15.020 17.915 4.807 1.00 0.00 C ATOM 1215 O VAL A 77 -14.566 18.625 3.908 1.00 0.00 O ATOM 1216 CB VAL A 77 -17.433 18.526 5.481 1.00 0.00 C ATOM 1217 CG1 VAL A 77 -18.334 19.053 6.612 1.00 0.00 C ATOM 1218 CG2 VAL A 77 -17.650 19.409 4.257 1.00 0.00 C ATOM 0 H VAL A 77 -15.721 20.490 5.466 1.00 0.00 H new ATOM 0 HA VAL A 77 -15.918 17.819 6.759 1.00 0.00 H new ATOM 0 HB VAL A 77 -17.706 17.496 5.252 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -19.370 19.068 6.275 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -18.245 18.402 7.482 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -18.026 20.063 6.882 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -18.709 19.418 3.998 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -17.322 20.425 4.478 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -17.075 19.016 3.418 1.00 0.00 H new ATOM 1228 N GLN A 78 -14.751 16.619 4.906 1.00 0.00 N ATOM 1229 CA GLN A 78 -13.658 15.922 4.241 1.00 0.00 C ATOM 1230 C GLN A 78 -14.325 14.849 3.383 1.00 0.00 C ATOM 1231 O GLN A 78 -14.793 13.840 3.905 1.00 0.00 O ATOM 1232 CB GLN A 78 -12.686 15.381 5.318 1.00 0.00 C ATOM 1233 CG GLN A 78 -11.216 15.265 4.897 1.00 0.00 C ATOM 1234 CD GLN A 78 -10.340 14.783 6.067 1.00 0.00 C ATOM 1235 OE1 GLN A 78 -10.445 15.276 7.189 1.00 0.00 O ATOM 1236 NE2 GLN A 78 -9.467 13.805 5.827 1.00 0.00 N ATOM 0 H GLN A 78 -15.317 15.995 5.481 1.00 0.00 H new ATOM 0 HA GLN A 78 -13.045 16.550 3.594 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -12.743 16.031 6.191 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -13.033 14.396 5.631 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -11.128 14.570 4.062 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -10.858 16.233 4.545 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -9.392 13.407 4.891 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -8.874 13.455 6.579 1.00 0.00 H new ATOM 1245 N ARG A 79 -14.489 15.125 2.084 1.00 0.00 N ATOM 1246 CA ARG A 79 -15.273 14.296 1.167 1.00 0.00 C ATOM 1247 C ARG A 79 -14.503 13.039 0.743 1.00 0.00 C ATOM 1248 O ARG A 79 -13.274 13.009 0.814 1.00 0.00 O ATOM 1249 CB ARG A 79 -15.634 15.130 -0.077 1.00 0.00 C ATOM 1250 CG ARG A 79 -16.635 16.264 0.204 1.00 0.00 C ATOM 1251 CD ARG A 79 -18.067 15.733 0.362 1.00 0.00 C ATOM 1252 NE ARG A 79 -19.025 16.802 0.681 1.00 0.00 N ATOM 1253 CZ ARG A 79 -19.544 17.715 -0.155 1.00 0.00 C ATOM 1254 NH1 ARG A 79 -19.196 17.759 -1.446 1.00 0.00 N ATOM 1255 NH2 ARG A 79 -20.430 18.593 0.324 1.00 0.00 N ATOM 0 H ARG A 79 -14.074 15.942 1.636 1.00 0.00 H new ATOM 0 HA ARG A 79 -16.177 13.972 1.682 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -14.722 15.558 -0.493 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -16.052 14.470 -0.837 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -16.341 16.792 1.111 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -16.603 16.987 -0.611 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -18.372 15.237 -0.559 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -18.089 14.981 1.151 1.00 0.00 H new ATOM 0 HE ARG A 79 -19.331 16.856 1.652 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -18.522 17.089 -1.816 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -19.605 18.463 -2.061 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -20.699 18.561 1.307 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -20.837 19.295 -0.294 1.00 0.00 H new ATOM 1269 N HIS A 80 -15.219 12.028 0.222 1.00 0.00 N ATOM 1270 CA HIS A 80 -14.623 10.987 -0.605 1.00 0.00 C ATOM 1271 C HIS A 80 -14.014 11.594 -1.886 1.00 0.00 C ATOM 1272 O HIS A 80 -14.406 12.686 -2.302 1.00 0.00 O ATOM 1273 CB HIS A 80 -15.695 9.947 -0.957 1.00 0.00 C ATOM 1274 CG HIS A 80 -15.503 8.613 -0.280 1.00 0.00 C ATOM 1275 ND1 HIS A 80 -15.493 8.361 1.075 1.00 0.00 N ATOM 1276 CD2 HIS A 80 -15.318 7.418 -0.922 1.00 0.00 C ATOM 1277 CE1 HIS A 80 -15.302 7.040 1.236 1.00 0.00 C ATOM 1278 NE2 HIS A 80 -15.195 6.423 0.048 1.00 0.00 N ATOM 0 H HIS A 80 -16.223 11.917 0.367 1.00 0.00 H new ATOM 0 HA HIS A 80 -13.820 10.502 -0.050 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -16.673 10.343 -0.685 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -15.700 9.797 -2.037 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -15.609 9.050 1.818 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -15.275 7.271 -1.991 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -15.243 6.542 2.192 1.00 0.00 H new ATOM 1286 N PRO A 81 -13.080 10.882 -2.544 1.00 0.00 N ATOM 1287 CA PRO A 81 -12.279 11.420 -3.638 1.00 0.00 C ATOM 1288 C PRO A 81 -12.977 11.341 -5.004 1.00 0.00 C ATOM 1289 O PRO A 81 -12.634 12.115 -5.897 1.00 0.00 O ATOM 1290 CB PRO A 81 -11.008 10.566 -3.625 1.00 0.00 C ATOM 1291 CG PRO A 81 -11.508 9.195 -3.164 1.00 0.00 C ATOM 1292 CD PRO A 81 -12.643 9.540 -2.198 1.00 0.00 C ATOM 0 HA PRO A 81 -12.090 12.484 -3.496 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -10.548 10.515 -4.612 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -10.259 10.970 -2.944 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -11.862 8.593 -4.001 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -10.720 8.624 -2.672 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -13.463 8.828 -2.292 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -12.300 9.497 -1.164 1.00 0.00 H new ATOM 1300 N TYR A 82 -13.931 10.413 -5.182 1.00 0.00 N ATOM 1301 CA TYR A 82 -14.615 10.174 -6.453 1.00 0.00 C ATOM 1302 C TYR A 82 -16.072 9.721 -6.249 1.00 0.00 C ATOM 1303 O TYR A 82 -16.715 9.257 -7.190 1.00 0.00 O ATOM 1304 CB TYR A 82 -13.799 9.162 -7.281 1.00 0.00 C ATOM 1305 CG TYR A 82 -14.048 9.240 -8.777 1.00 0.00 C ATOM 1306 CD1 TYR A 82 -13.564 10.346 -9.503 1.00 0.00 C ATOM 1307 CD2 TYR A 82 -14.755 8.220 -9.446 1.00 0.00 C ATOM 1308 CE1 TYR A 82 -13.789 10.440 -10.888 1.00 0.00 C ATOM 1309 CE2 TYR A 82 -14.983 8.306 -10.831 1.00 0.00 C ATOM 1310 CZ TYR A 82 -14.501 9.420 -11.559 1.00 0.00 C ATOM 1311 OH TYR A 82 -14.720 9.516 -12.901 1.00 0.00 O ATOM 0 H TYR A 82 -14.250 9.800 -4.432 1.00 0.00 H new ATOM 0 HA TYR A 82 -14.675 11.112 -7.006 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -12.738 9.325 -7.091 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -14.033 8.155 -6.937 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -13.017 11.126 -8.993 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -15.123 7.369 -8.892 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -13.418 11.292 -11.439 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -15.526 7.522 -11.339 1.00 0.00 H new ATOM 0 HH TYR A 82 -15.223 8.733 -13.207 1.00 0.00 H new ATOM 1321 N LYS A 83 -16.592 9.823 -5.017 1.00 0.00 N ATOM 1322 CA LYS A 83 -17.963 9.488 -4.651 1.00 0.00 C ATOM 1323 C LYS A 83 -18.542 10.644 -3.821 1.00 0.00 C ATOM 1324 O LYS A 83 -17.771 11.354 -3.172 1.00 0.00 O ATOM 1325 CB LYS A 83 -17.999 8.164 -3.857 1.00 0.00 C ATOM 1326 CG LYS A 83 -17.838 6.899 -4.719 1.00 0.00 C ATOM 1327 CD LYS A 83 -16.388 6.444 -4.944 1.00 0.00 C ATOM 1328 CE LYS A 83 -16.375 5.251 -5.905 1.00 0.00 C ATOM 1329 NZ LYS A 83 -15.004 4.779 -6.181 1.00 0.00 N ATOM 0 H LYS A 83 -16.043 10.154 -4.224 1.00 0.00 H new ATOM 0 HA LYS A 83 -18.566 9.349 -5.548 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -17.207 8.182 -3.109 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -18.945 8.104 -3.318 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -18.389 6.085 -4.248 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -18.301 7.078 -5.689 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -15.797 7.263 -5.355 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -15.931 6.166 -3.995 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -16.960 4.436 -5.479 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -16.856 5.534 -6.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -15.040 3.971 -6.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -14.452 5.548 -6.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -14.553 4.484 -5.292 1.00 0.00 H new ATOM 1343 N PRO A 84 -19.880 10.822 -3.787 1.00 0.00 N ATOM 1344 CA PRO A 84 -20.558 11.865 -3.012 1.00 0.00 C ATOM 1345 C PRO A 84 -20.651 11.478 -1.521 1.00 0.00 C ATOM 1346 O PRO A 84 -21.722 11.525 -0.915 1.00 0.00 O ATOM 1347 CB PRO A 84 -21.925 12.009 -3.696 1.00 0.00 C ATOM 1348 CG PRO A 84 -22.233 10.579 -4.130 1.00 0.00 C ATOM 1349 CD PRO A 84 -20.859 10.071 -4.566 1.00 0.00 C ATOM 0 HA PRO A 84 -20.024 12.815 -3.003 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -22.681 12.397 -3.013 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -21.883 12.690 -4.546 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -22.646 9.986 -3.314 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -22.956 10.548 -4.945 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -20.764 9.001 -4.383 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -20.708 10.226 -5.634 1.00 0.00 H new ATOM 1357 N LYS A 85 -19.524 11.057 -0.937 1.00 0.00 N ATOM 1358 CA LYS A 85 -19.410 10.505 0.404 1.00 0.00 C ATOM 1359 C LYS A 85 -18.500 11.400 1.250 1.00 0.00 C ATOM 1360 O LYS A 85 -18.031 12.440 0.790 1.00 0.00 O ATOM 1361 CB LYS A 85 -18.872 9.068 0.271 1.00 0.00 C ATOM 1362 CG LYS A 85 -19.908 7.961 0.417 1.00 0.00 C ATOM 1363 CD LYS A 85 -21.093 8.040 -0.559 1.00 0.00 C ATOM 1364 CE LYS A 85 -21.993 6.801 -0.461 1.00 0.00 C ATOM 1365 NZ LYS A 85 -22.651 6.681 0.857 1.00 0.00 N ATOM 0 H LYS A 85 -18.625 11.097 -1.417 1.00 0.00 H new ATOM 0 HA LYS A 85 -20.374 10.471 0.912 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -18.394 8.967 -0.703 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -18.098 8.918 1.023 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -19.411 7.000 0.283 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -20.295 7.980 1.436 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -21.680 8.934 -0.347 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -20.719 8.138 -1.578 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -22.754 6.846 -1.240 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -21.397 5.908 -0.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -23.273 5.848 0.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -21.928 6.576 1.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -23.215 7.535 1.042 1.00 0.00 H new ATOM 1379 N LEU A 86 -18.252 10.979 2.492 1.00 0.00 N ATOM 1380 CA LEU A 86 -17.379 11.626 3.456 1.00 0.00 C ATOM 1381 C LEU A 86 -16.289 10.638 3.882 1.00 0.00 C ATOM 1382 O LEU A 86 -16.391 9.429 3.663 1.00 0.00 O ATOM 1383 CB LEU A 86 -18.203 12.101 4.671 1.00 0.00 C ATOM 1384 CG LEU A 86 -19.305 13.131 4.340 1.00 0.00 C ATOM 1385 CD1 LEU A 86 -20.429 13.075 5.383 1.00 0.00 C ATOM 1386 CD2 LEU A 86 -18.752 14.556 4.231 1.00 0.00 C ATOM 0 H LEU A 86 -18.681 10.132 2.866 1.00 0.00 H new ATOM 0 HA LEU A 86 -16.906 12.500 3.007 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -18.665 11.233 5.141 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -17.525 12.537 5.404 1.00 0.00 H new ATOM 0 HG LEU A 86 -19.710 12.863 3.364 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -21.195 13.808 5.132 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -20.869 12.078 5.390 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -20.022 13.299 6.369 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -19.564 15.244 3.997 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -18.295 14.842 5.178 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -18.003 14.596 3.440 1.00 0.00 H new ATOM 1398 N GLN A 87 -15.250 11.180 4.512 1.00 0.00 N ATOM 1399 CA GLN A 87 -14.127 10.494 5.134 1.00 0.00 C ATOM 1400 C GLN A 87 -13.973 10.959 6.584 1.00 0.00 C ATOM 1401 O GLN A 87 -13.493 10.175 7.401 1.00 0.00 O ATOM 1402 CB GLN A 87 -12.840 10.808 4.349 1.00 0.00 C ATOM 1403 CG GLN A 87 -12.783 10.140 2.965 1.00 0.00 C ATOM 1404 CD GLN A 87 -11.873 8.916 2.928 1.00 0.00 C ATOM 1405 OE1 GLN A 87 -10.902 8.881 2.178 1.00 0.00 O ATOM 1406 NE2 GLN A 87 -12.178 7.896 3.723 1.00 0.00 N ATOM 0 H GLN A 87 -15.168 12.192 4.607 1.00 0.00 H new ATOM 0 HA GLN A 87 -14.308 9.419 5.123 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -12.754 11.888 4.226 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -11.979 10.485 4.935 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -13.790 9.846 2.668 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -12.434 10.867 2.231 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -12.991 7.953 4.336 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -11.599 7.056 3.720 1.00 0.00 H new ATOM 1415 N HIS A 88 -14.398 12.197 6.902 1.00 0.00 N ATOM 1416 CA HIS A 88 -14.274 12.857 8.198 1.00 0.00 C ATOM 1417 C HIS A 88 -14.861 14.253 8.107 1.00 0.00 C ATOM 1418 O HIS A 88 -15.114 14.761 7.016 1.00 0.00 O ATOM 1419 CB HIS A 88 -12.802 12.921 8.608 1.00 0.00 C ATOM 1420 CG HIS A 88 -12.502 13.717 9.844 1.00 0.00 C ATOM 1421 ND1 HIS A 88 -11.786 14.888 9.893 1.00 0.00 N ATOM 1422 CD2 HIS A 88 -12.819 13.357 11.124 1.00 0.00 C ATOM 1423 CE1 HIS A 88 -11.660 15.203 11.192 1.00 0.00 C ATOM 1424 NE2 HIS A 88 -12.279 14.313 11.981 1.00 0.00 N ATOM 0 H HIS A 88 -14.863 12.790 6.215 1.00 0.00 H new ATOM 0 HA HIS A 88 -14.819 12.291 8.953 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -12.442 11.903 8.758 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -12.232 13.342 7.780 1.00 0.00 H new ATOM 0 HD1 HIS A 88 -11.422 15.415 9.099 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -13.387 12.487 11.418 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -11.125 16.068 11.557 1.00 0.00 H new ATOM 1432 N ILE A 89 -15.124 14.844 9.273 1.00 0.00 N ATOM 1433 CA ILE A 89 -15.662 16.177 9.441 1.00 0.00 C ATOM 1434 C ILE A 89 -15.097 16.725 10.752 1.00 0.00 C ATOM 1435 O ILE A 89 -14.890 15.978 11.706 1.00 0.00 O ATOM 1436 CB ILE A 89 -17.208 16.102 9.451 1.00 0.00 C ATOM 1437 CG1 ILE A 89 -17.737 15.530 8.120 1.00 0.00 C ATOM 1438 CG2 ILE A 89 -17.816 17.484 9.701 1.00 0.00 C ATOM 1439 CD1 ILE A 89 -19.237 15.368 8.057 1.00 0.00 C ATOM 0 H ILE A 89 -14.956 14.376 10.164 1.00 0.00 H new ATOM 0 HA ILE A 89 -15.381 16.843 8.626 1.00 0.00 H new ATOM 0 HB ILE A 89 -17.505 15.436 10.261 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -17.421 16.184 7.307 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -17.272 14.559 7.947 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -18.903 17.408 9.704 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -17.476 17.862 10.665 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -17.502 18.168 8.912 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -19.518 14.960 7.086 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -19.563 14.688 8.844 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -19.714 16.338 8.195 1.00 0.00 H new ATOM 1451 N ASP A 90 -14.922 18.043 10.820 1.00 0.00 N ATOM 1452 CA ASP A 90 -14.712 18.756 12.069 1.00 0.00 C ATOM 1453 C ASP A 90 -15.815 19.796 12.247 1.00 0.00 C ATOM 1454 O ASP A 90 -16.393 20.283 11.271 1.00 0.00 O ATOM 1455 CB ASP A 90 -13.311 19.374 12.140 1.00 0.00 C ATOM 1456 CG ASP A 90 -12.990 20.441 11.098 1.00 0.00 C ATOM 1457 OD1 ASP A 90 -13.738 21.440 11.009 1.00 0.00 O ATOM 1458 OD2 ASP A 90 -11.910 20.288 10.484 1.00 0.00 O ATOM 0 H ASP A 90 -14.923 18.648 9.999 1.00 0.00 H new ATOM 0 HA ASP A 90 -14.768 18.050 12.897 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -13.180 19.812 13.130 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -12.578 18.573 12.046 1.00 0.00 H new ATOM 1463 N PHE A 91 -16.076 20.155 13.506 1.00 0.00 N ATOM 1464 CA PHE A 91 -16.920 21.260 13.902 1.00 0.00 C ATOM 1465 C PHE A 91 -16.131 22.054 14.939 1.00 0.00 C ATOM 1466 O PHE A 91 -15.354 21.458 15.685 1.00 0.00 O ATOM 1467 CB PHE A 91 -18.222 20.707 14.492 1.00 0.00 C ATOM 1468 CG PHE A 91 -18.786 19.425 13.902 1.00 0.00 C ATOM 1469 CD1 PHE A 91 -18.413 18.183 14.446 1.00 0.00 C ATOM 1470 CD2 PHE A 91 -19.751 19.464 12.883 1.00 0.00 C ATOM 1471 CE1 PHE A 91 -18.979 16.992 13.973 1.00 0.00 C ATOM 1472 CE2 PHE A 91 -20.359 18.269 12.456 1.00 0.00 C ATOM 1473 CZ PHE A 91 -19.965 17.030 12.987 1.00 0.00 C ATOM 0 H PHE A 91 -15.683 19.655 14.304 1.00 0.00 H new ATOM 0 HA PHE A 91 -17.187 21.902 13.063 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -18.062 20.542 15.557 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -18.985 21.480 14.400 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -17.681 18.147 15.239 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -20.025 20.405 12.430 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -18.652 16.043 14.372 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -21.139 18.305 11.710 1.00 0.00 H new ATOM 0 HZ PHE A 91 -20.421 16.116 12.636 1.00 0.00 H new ATOM 1483 N VAL A 92 -16.340 23.372 15.025 1.00 0.00 N ATOM 1484 CA VAL A 92 -15.704 24.175 16.067 1.00 0.00 C ATOM 1485 C VAL A 92 -16.688 24.419 17.204 1.00 0.00 C ATOM 1486 O VAL A 92 -17.888 24.498 16.955 1.00 0.00 O ATOM 1487 CB VAL A 92 -15.024 25.454 15.536 1.00 0.00 C ATOM 1488 CG1 VAL A 92 -14.334 25.209 14.197 1.00 0.00 C ATOM 1489 CG2 VAL A 92 -15.951 26.657 15.365 1.00 0.00 C ATOM 0 H VAL A 92 -16.940 23.899 14.390 1.00 0.00 H new ATOM 0 HA VAL A 92 -14.870 23.602 16.472 1.00 0.00 H new ATOM 0 HB VAL A 92 -14.304 25.699 16.317 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -13.866 26.132 13.854 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -13.572 24.439 14.316 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -15.070 24.881 13.463 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -15.380 27.505 14.988 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -16.742 26.409 14.658 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -16.392 26.916 16.327 1.00 0.00 H new ATOM 1499 N ARG A 93 -16.166 24.539 18.432 1.00 0.00 N ATOM 1500 CA ARG A 93 -16.899 24.724 19.681 1.00 0.00 C ATOM 1501 C ARG A 93 -17.762 25.988 19.615 1.00 0.00 C ATOM 1502 O ARG A 93 -17.288 27.087 19.902 1.00 0.00 O ATOM 1503 CB ARG A 93 -15.908 24.810 20.859 1.00 0.00 C ATOM 1504 CG ARG A 93 -15.237 23.488 21.257 1.00 0.00 C ATOM 1505 CD ARG A 93 -16.147 22.572 22.081 1.00 0.00 C ATOM 1506 NE ARG A 93 -15.347 21.529 22.749 1.00 0.00 N ATOM 1507 CZ ARG A 93 -15.005 21.499 24.050 1.00 0.00 C ATOM 1508 NH1 ARG A 93 -15.486 22.384 24.928 1.00 0.00 N ATOM 1509 NH2 ARG A 93 -14.151 20.581 24.505 1.00 0.00 N ATOM 0 H ARG A 93 -15.158 24.507 18.584 1.00 0.00 H new ATOM 0 HA ARG A 93 -17.558 23.869 19.833 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -15.130 25.530 20.605 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -16.436 25.205 21.727 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -14.923 22.962 20.355 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -14.335 23.704 21.830 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -16.688 23.158 22.824 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -16.893 22.110 21.434 1.00 0.00 H new ATOM 0 HE ARG A 93 -15.021 20.756 22.169 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -16.132 23.110 24.618 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -15.207 22.334 25.908 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -13.752 19.894 23.865 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -13.897 20.566 25.493 1.00 0.00 H new ATOM 1523 N ALA A 94 -19.025 25.812 19.218 1.00 0.00 N ATOM 1524 CA ALA A 94 -20.051 26.849 19.280 1.00 0.00 C ATOM 1525 C ALA A 94 -20.702 26.924 20.673 1.00 0.00 C ATOM 1526 O ALA A 94 -21.790 27.537 20.755 1.00 0.00 O ATOM 1527 CB ALA A 94 -21.086 26.554 18.197 1.00 0.00 C ATOM 1528 OXT ALA A 94 -20.120 26.373 21.635 1.00 0.00 O ATOM 0 H ALA A 94 -19.366 24.929 18.838 1.00 0.00 H new ATOM 0 HA ALA A 94 -19.597 27.824 19.105 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -21.866 27.315 18.222 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -20.603 26.561 17.220 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -21.530 25.575 18.375 1.00 0.00 H new