USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 739 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 80 HIS : no HD1:sc= -1.91 K(o=-1.9,f=-2.6) USER MOD Set 1.2: A 87 GLN : amide:sc= 0 K(o=-1.9,f=-2.8) USER MOD Set 2.1: A 62 THR OG1 : rot 176:sc= 0.0916 USER MOD Set 2.2: A 71 LYS NZ :NH3+ 172:sc= 0.0949 (180deg=0) USER MOD Set 3.1: A 48 MET CE :methyl 147:sc= -0.886 (180deg=-2.55) USER MOD Set 3.2: A 51 GLN : amide:sc= -3.98! C(o=-4.9!,f=-9!) USER MOD Set 4.1: A 10 LYS NZ :NH3+ -151:sc= 0.681 (180deg=0) USER MOD Set 4.2: A 12 GLN : amide:sc= -1.86 K(o=-1.2,f=-9.3!) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 ASN :FLIP amide:sc= -2.31! C(o=-3.3!,f=-2.3!) USER MOD Single : A 14 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00239) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc=-0.00498 X(o=-0.005,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 147:sc= 1.21 (180deg=0.491) USER MOD Single : A 31 TYR OH : rot -156:sc= 1.29 USER MOD Single : A 44 HIS : no HE2:sc= 0.147 K(o=0.15,f=-5.4!) USER MOD Single : A 46 LYS NZ :NH3+ -156:sc= 0.698 (180deg=0.191) USER MOD Single : A 49 ASN : amide:sc= -0.0244 X(o=-0.024,f=-0.016) USER MOD Single : A 50 MET CE :methyl -146:sc= -0.725 (180deg=-3.44!) USER MOD Single : A 53 LYS NZ :NH3+ -140:sc= 1.25 (180deg=0.769) 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+ -167:sc= 1.05 (180deg=0.957) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= -0.116 X(o=-0.12,f=-0.12) USER MOD Single : A 78 GLN :FLIP amide:sc= 0 F(o=-0.78,f=0) 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 88 HIS : no HD1:sc= -1.05 X(o=-1,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 20 N PHE A 2 -29.983 21.452 13.020 1.00 0.00 N ATOM 21 CA PHE A 2 -30.220 20.096 12.520 1.00 0.00 C ATOM 22 C PHE A 2 -29.888 18.997 13.535 1.00 0.00 C ATOM 23 O PHE A 2 -30.575 17.980 13.546 1.00 0.00 O ATOM 24 CB PHE A 2 -29.481 19.884 11.189 1.00 0.00 C ATOM 25 CG PHE A 2 -29.494 21.081 10.247 1.00 0.00 C ATOM 26 CD1 PHE A 2 -30.642 21.892 10.091 1.00 0.00 C ATOM 27 CD2 PHE A 2 -28.293 21.466 9.634 1.00 0.00 C ATOM 28 CE1 PHE A 2 -30.553 23.126 9.420 1.00 0.00 C ATOM 29 CE2 PHE A 2 -28.218 22.686 8.954 1.00 0.00 C ATOM 30 CZ PHE A 2 -29.324 23.541 8.879 1.00 0.00 C ATOM 0 HA PHE A 2 -31.293 20.008 12.348 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -28.445 19.621 11.404 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -29.926 19.032 10.675 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -31.591 21.563 10.488 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -27.428 20.822 9.687 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -31.427 23.753 9.321 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -27.292 22.973 8.479 1.00 0.00 H new ATOM 0 HZ PHE A 2 -29.234 24.510 8.410 1.00 0.00 H new ATOM 40 N THR A 3 -28.894 19.240 14.401 1.00 0.00 N ATOM 41 CA THR A 3 -28.501 18.461 15.568 1.00 0.00 C ATOM 42 C THR A 3 -27.908 17.093 15.185 1.00 0.00 C ATOM 43 O THR A 3 -28.627 16.192 14.752 1.00 0.00 O ATOM 44 CB THR A 3 -29.687 18.319 16.524 1.00 0.00 C ATOM 45 OG1 THR A 3 -30.286 19.576 16.789 1.00 0.00 O ATOM 46 CG2 THR A 3 -29.282 17.687 17.857 1.00 0.00 C ATOM 0 H THR A 3 -28.297 20.059 14.287 1.00 0.00 H new ATOM 0 HA THR A 3 -27.705 19.000 16.081 1.00 0.00 H new ATOM 0 HB THR A 3 -30.400 17.664 16.023 1.00 0.00 H new ATOM 0 HG1 THR A 3 -31.042 19.456 17.401 1.00 0.00 H new ATOM 0 HG21 THR A 3 -30.157 17.607 18.502 1.00 0.00 H new ATOM 0 HG22 THR A 3 -28.870 16.694 17.679 1.00 0.00 H new ATOM 0 HG23 THR A 3 -28.530 18.310 18.341 1.00 0.00 H new ATOM 54 N ILE A 4 -26.589 16.926 15.353 1.00 0.00 N ATOM 55 CA ILE A 4 -25.850 15.785 14.828 1.00 0.00 C ATOM 56 C ILE A 4 -25.506 14.834 15.972 1.00 0.00 C ATOM 57 O ILE A 4 -24.432 14.899 16.559 1.00 0.00 O ATOM 58 CB ILE A 4 -24.622 16.189 13.980 1.00 0.00 C ATOM 59 CG1 ILE A 4 -24.555 17.639 13.480 1.00 0.00 C ATOM 60 CG2 ILE A 4 -24.479 15.210 12.812 1.00 0.00 C ATOM 61 CD1 ILE A 4 -25.741 18.166 12.671 1.00 0.00 C ATOM 0 H ILE A 4 -26.006 17.589 15.863 1.00 0.00 H new ATOM 0 HA ILE A 4 -26.493 15.256 14.124 1.00 0.00 H new ATOM 0 HB ILE A 4 -23.781 16.133 14.671 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -24.425 18.287 14.347 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -23.659 17.742 12.868 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -23.615 15.488 12.208 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -24.342 14.200 13.198 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -25.378 15.244 12.196 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -25.555 19.201 12.385 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -25.868 17.559 11.774 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -26.646 18.113 13.276 1.00 0.00 H new ATOM 73 N ASN A 5 -26.448 13.963 16.323 1.00 0.00 N ATOM 74 CA ASN A 5 -26.325 13.080 17.475 1.00 0.00 C ATOM 75 C ASN A 5 -25.091 12.179 17.303 1.00 0.00 C ATOM 76 O ASN A 5 -25.022 11.426 16.327 1.00 0.00 O ATOM 77 CB ASN A 5 -27.625 12.285 17.693 1.00 0.00 C ATOM 78 CG ASN A 5 -28.885 13.084 17.349 1.00 0.00 C ATOM 79 OD1 ASN A 5 -29.081 14.235 17.985 1.00 0.00 O flip ATOM 80 ND2 ASN A 5 -29.635 12.702 16.458 1.00 0.00 N flip ATOM 0 H ASN A 5 -27.323 13.851 15.812 1.00 0.00 H new ATOM 0 HA ASN A 5 -26.175 13.670 18.379 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -27.598 11.382 17.083 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -27.678 11.966 18.734 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -29.458 11.814 15.988 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -30.436 13.272 16.186 1.00 0.00 H new ATOM 87 N ALA A 6 -24.121 12.307 18.223 1.00 0.00 N ATOM 88 CA ALA A 6 -22.868 11.559 18.250 1.00 0.00 C ATOM 89 C ALA A 6 -22.775 10.833 19.601 1.00 0.00 C ATOM 90 O ALA A 6 -23.773 10.651 20.299 1.00 0.00 O ATOM 91 CB ALA A 6 -21.658 12.494 17.987 1.00 0.00 C ATOM 0 H ALA A 6 -24.199 12.965 18.999 1.00 0.00 H new ATOM 0 HA ALA A 6 -22.847 10.817 17.452 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -20.736 11.912 18.012 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -21.765 12.961 17.008 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -21.621 13.266 18.756 1.00 0.00 H new ATOM 97 N GLU A 7 -21.565 10.423 19.973 1.00 0.00 N ATOM 98 CA GLU A 7 -21.172 9.945 21.290 1.00 0.00 C ATOM 99 C GLU A 7 -19.654 10.121 21.371 1.00 0.00 C ATOM 100 O GLU A 7 -18.953 9.912 20.386 1.00 0.00 O ATOM 101 CB GLU A 7 -21.614 8.484 21.490 1.00 0.00 C ATOM 102 CG GLU A 7 -20.993 7.534 20.461 1.00 0.00 C ATOM 103 CD GLU A 7 -21.778 6.227 20.337 1.00 0.00 C ATOM 104 OE1 GLU A 7 -21.608 5.366 21.228 1.00 0.00 O ATOM 105 OE2 GLU A 7 -22.552 6.114 19.357 1.00 0.00 O ATOM 0 H GLU A 7 -20.784 10.417 19.317 1.00 0.00 H new ATOM 0 HA GLU A 7 -21.654 10.506 22.091 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -21.337 8.159 22.493 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -22.700 8.425 21.424 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -20.955 8.027 19.490 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -19.965 7.313 20.747 1.00 0.00 H new ATOM 112 N VAL A 8 -19.134 10.551 22.520 1.00 0.00 N ATOM 113 CA VAL A 8 -17.710 10.831 22.701 1.00 0.00 C ATOM 114 C VAL A 8 -16.877 9.571 22.524 1.00 0.00 C ATOM 115 O VAL A 8 -17.195 8.519 23.081 1.00 0.00 O ATOM 116 CB VAL A 8 -17.465 11.476 24.077 1.00 0.00 C ATOM 117 CG1 VAL A 8 -17.869 12.947 24.033 1.00 0.00 C ATOM 118 CG2 VAL A 8 -18.223 10.789 25.222 1.00 0.00 C ATOM 0 H VAL A 8 -19.693 10.716 23.357 1.00 0.00 H new ATOM 0 HA VAL A 8 -17.396 11.537 21.932 1.00 0.00 H new ATOM 0 HB VAL A 8 -16.401 11.363 24.282 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -17.695 13.402 25.008 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -17.275 13.465 23.280 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -18.926 13.027 23.779 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -18.002 11.297 26.161 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -19.295 10.835 25.028 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -17.911 9.747 25.291 1.00 0.00 H new ATOM 128 N ARG A 9 -15.787 9.715 21.762 1.00 0.00 N ATOM 129 CA ARG A 9 -14.801 8.644 21.607 1.00 0.00 C ATOM 130 C ARG A 9 -13.376 9.106 21.903 1.00 0.00 C ATOM 131 O ARG A 9 -13.060 10.282 21.747 1.00 0.00 O ATOM 132 CB ARG A 9 -14.929 7.991 20.233 1.00 0.00 C ATOM 133 CG ARG A 9 -14.720 8.996 19.111 1.00 0.00 C ATOM 134 CD ARG A 9 -14.272 8.348 17.809 1.00 0.00 C ATOM 135 NE ARG A 9 -13.768 9.439 16.989 1.00 0.00 N ATOM 136 CZ ARG A 9 -12.670 9.449 16.221 1.00 0.00 C ATOM 137 NH1 ARG A 9 -12.038 8.312 15.925 1.00 0.00 N ATOM 138 NH2 ARG A 9 -12.205 10.613 15.757 1.00 0.00 N ATOM 0 H ARG A 9 -15.567 10.565 21.243 1.00 0.00 H new ATOM 0 HA ARG A 9 -15.021 7.885 22.358 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -14.198 7.187 20.143 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -15.915 7.537 20.136 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -15.649 9.539 18.939 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -13.975 9.729 19.421 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -13.499 7.601 17.988 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -15.101 7.838 17.318 1.00 0.00 H new ATOM 0 HE ARG A 9 -14.316 10.299 17.000 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -12.390 7.425 16.284 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -11.203 8.330 15.340 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -12.685 11.483 15.988 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -11.370 10.632 15.172 1.00 0.00 H new ATOM 152 N LYS A 10 -12.501 8.156 22.257 1.00 0.00 N ATOM 153 CA LYS A 10 -11.048 8.330 22.333 1.00 0.00 C ATOM 154 C LYS A 10 -10.267 7.169 21.690 1.00 0.00 C ATOM 155 O LYS A 10 -9.047 7.241 21.575 1.00 0.00 O ATOM 156 CB LYS A 10 -10.609 8.591 23.780 1.00 0.00 C ATOM 157 CG LYS A 10 -10.907 10.017 24.283 1.00 0.00 C ATOM 158 CD LYS A 10 -10.026 11.125 23.665 1.00 0.00 C ATOM 159 CE LYS A 10 -10.634 11.823 22.436 1.00 0.00 C ATOM 160 NZ LYS A 10 -9.668 12.749 21.809 1.00 0.00 N ATOM 0 H LYS A 10 -12.798 7.213 22.507 1.00 0.00 H new ATOM 0 HA LYS A 10 -10.800 9.210 21.740 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -11.108 7.876 24.434 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -9.538 8.405 23.862 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -11.952 10.248 24.077 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -10.784 10.037 25.366 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -9.823 11.876 24.428 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -9.067 10.691 23.381 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -10.947 11.074 21.708 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -11.527 12.373 22.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -10.182 13.526 21.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -9.036 13.137 22.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -9.105 12.236 21.101 1.00 0.00 H new ATOM 174 N GLU A 11 -10.970 6.140 21.206 1.00 0.00 N ATOM 175 CA GLU A 11 -10.465 4.955 20.496 1.00 0.00 C ATOM 176 C GLU A 11 -9.886 5.230 19.088 1.00 0.00 C ATOM 177 O GLU A 11 -9.662 4.289 18.325 1.00 0.00 O ATOM 178 CB GLU A 11 -11.541 3.829 20.457 1.00 0.00 C ATOM 179 CG GLU A 11 -13.008 4.228 20.710 1.00 0.00 C ATOM 180 CD GLU A 11 -13.359 4.308 22.197 1.00 0.00 C ATOM 181 OE1 GLU A 11 -13.593 3.232 22.792 1.00 0.00 O ATOM 182 OE2 GLU A 11 -13.390 5.455 22.699 1.00 0.00 O ATOM 0 H GLU A 11 -11.985 6.109 21.307 1.00 0.00 H new ATOM 0 HA GLU A 11 -9.610 4.617 21.082 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -11.488 3.349 19.480 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -11.266 3.077 21.197 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -13.201 5.194 20.244 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -13.664 3.504 20.226 1.00 0.00 H new ATOM 189 N GLN A 12 -9.642 6.497 18.725 1.00 0.00 N ATOM 190 CA GLN A 12 -9.235 6.926 17.380 1.00 0.00 C ATOM 191 C GLN A 12 -8.085 6.128 16.771 1.00 0.00 C ATOM 192 O GLN A 12 -8.107 5.918 15.563 1.00 0.00 O ATOM 193 CB GLN A 12 -8.855 8.413 17.311 1.00 0.00 C ATOM 194 CG GLN A 12 -8.270 9.077 18.550 1.00 0.00 C ATOM 195 CD GLN A 12 -9.324 9.693 19.480 1.00 0.00 C ATOM 196 OE1 GLN A 12 -8.974 10.433 20.389 1.00 0.00 O ATOM 197 NE2 GLN A 12 -10.624 9.428 19.296 1.00 0.00 N ATOM 0 H GLN A 12 -9.725 7.275 19.379 1.00 0.00 H new ATOM 0 HA GLN A 12 -10.134 6.736 16.794 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -8.136 8.533 16.501 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -9.749 8.970 17.029 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -7.694 8.339 19.108 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -7.574 9.856 18.239 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -10.916 8.811 18.538 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -11.322 9.843 19.914 1.00 0.00 H new ATOM 206 N GLY A 13 -7.140 5.689 17.612 1.00 0.00 N ATOM 207 CA GLY A 13 -5.892 4.998 17.287 1.00 0.00 C ATOM 208 C GLY A 13 -5.952 3.878 16.243 1.00 0.00 C ATOM 209 O GLY A 13 -4.904 3.542 15.705 1.00 0.00 O ATOM 0 H GLY A 13 -7.240 5.820 18.619 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -5.176 5.743 16.940 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -5.491 4.577 18.209 1.00 0.00 H new ATOM 213 N LYS A 14 -7.152 3.364 15.947 1.00 0.00 N ATOM 214 CA LYS A 14 -7.647 2.606 14.790 1.00 0.00 C ATOM 215 C LYS A 14 -8.926 1.892 15.213 1.00 0.00 C ATOM 216 O LYS A 14 -9.831 1.769 14.392 1.00 0.00 O ATOM 217 CB LYS A 14 -6.658 1.580 14.199 1.00 0.00 C ATOM 218 CG LYS A 14 -6.210 1.809 12.755 1.00 0.00 C ATOM 219 CD LYS A 14 -7.302 1.628 11.692 1.00 0.00 C ATOM 220 CE LYS A 14 -6.683 1.243 10.337 1.00 0.00 C ATOM 221 NZ LYS A 14 -5.795 2.280 9.777 1.00 0.00 N ATOM 0 H LYS A 14 -7.912 3.490 16.616 1.00 0.00 H new ATOM 0 HA LYS A 14 -7.810 3.329 13.991 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -5.770 1.560 14.831 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -7.115 0.592 14.261 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -5.810 2.819 12.672 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -5.393 1.123 12.533 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -8.002 0.855 12.010 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -7.872 2.551 11.588 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -6.118 0.318 10.455 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -7.484 1.040 9.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -5.427 1.962 8.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -6.330 3.163 9.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -5.002 2.447 10.429 1.00 0.00 H new ATOM 235 N GLY A 15 -9.006 1.456 16.483 1.00 0.00 N ATOM 236 CA GLY A 15 -10.109 0.702 17.065 1.00 0.00 C ATOM 237 C GLY A 15 -11.479 1.366 16.889 1.00 0.00 C ATOM 238 O GLY A 15 -12.474 0.657 16.722 1.00 0.00 O ATOM 0 H GLY A 15 -8.261 1.634 17.157 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -10.136 -0.289 16.613 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -9.918 0.562 18.129 1.00 0.00 H new ATOM 242 N ALA A 16 -11.545 2.705 16.895 1.00 0.00 N ATOM 243 CA ALA A 16 -12.751 3.450 16.562 1.00 0.00 C ATOM 244 C ALA A 16 -12.976 3.450 15.053 1.00 0.00 C ATOM 245 O ALA A 16 -14.052 3.109 14.582 1.00 0.00 O ATOM 246 CB ALA A 16 -12.693 4.887 17.068 1.00 0.00 C ATOM 0 H ALA A 16 -10.752 3.300 17.134 1.00 0.00 H new ATOM 0 HA ALA A 16 -13.583 2.951 17.058 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -13.613 5.405 16.797 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -12.582 4.887 18.152 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -11.842 5.398 16.616 1.00 0.00 H new ATOM 252 N SER A 17 -11.964 3.816 14.272 1.00 0.00 N ATOM 253 CA SER A 17 -12.129 3.977 12.826 1.00 0.00 C ATOM 254 C SER A 17 -12.620 2.686 12.140 1.00 0.00 C ATOM 255 O SER A 17 -13.285 2.755 11.106 1.00 0.00 O ATOM 256 CB SER A 17 -10.822 4.487 12.218 1.00 0.00 C ATOM 257 OG SER A 17 -10.494 5.734 12.796 1.00 0.00 O ATOM 0 H SER A 17 -11.022 4.007 14.613 1.00 0.00 H new ATOM 0 HA SER A 17 -12.911 4.716 12.651 1.00 0.00 H new ATOM 0 HB2 SER A 17 -10.021 3.769 12.395 1.00 0.00 H new ATOM 0 HB3 SER A 17 -10.926 4.590 11.138 1.00 0.00 H new ATOM 0 HG SER A 17 -9.656 6.063 12.410 1.00 0.00 H new ATOM 263 N ARG A 18 -12.377 1.523 12.765 1.00 0.00 N ATOM 264 CA ARG A 18 -12.804 0.207 12.325 1.00 0.00 C ATOM 265 C ARG A 18 -14.163 -0.194 12.898 1.00 0.00 C ATOM 266 O ARG A 18 -14.908 -0.813 12.155 1.00 0.00 O ATOM 267 CB ARG A 18 -11.709 -0.849 12.569 1.00 0.00 C ATOM 268 CG ARG A 18 -11.264 -1.064 14.026 1.00 0.00 C ATOM 269 CD ARG A 18 -12.043 -2.075 14.874 1.00 0.00 C ATOM 270 NE ARG A 18 -12.058 -3.421 14.288 1.00 0.00 N ATOM 271 CZ ARG A 18 -11.998 -4.579 14.961 1.00 0.00 C ATOM 272 NH1 ARG A 18 -11.676 -4.640 16.259 1.00 0.00 N ATOM 273 NH2 ARG A 18 -12.279 -5.702 14.305 1.00 0.00 N ATOM 0 H ARG A 18 -11.848 1.485 13.636 1.00 0.00 H new ATOM 0 HA ARG A 18 -12.953 0.260 11.247 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -12.064 -1.803 12.178 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -10.833 -0.571 11.984 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -10.219 -1.373 14.014 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -11.305 -0.100 14.534 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -11.602 -2.123 15.870 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -13.068 -1.726 14.996 1.00 0.00 H new ATOM 0 HE ARG A 18 -12.120 -3.481 13.272 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -11.465 -3.785 16.773 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -11.642 -5.542 16.734 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -12.531 -5.666 13.317 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -12.242 -6.599 14.790 1.00 0.00 H new ATOM 287 N ARG A 19 -14.528 0.151 14.147 1.00 0.00 N ATOM 288 CA ARG A 19 -15.859 -0.181 14.694 1.00 0.00 C ATOM 289 C ARG A 19 -16.940 0.687 14.035 1.00 0.00 C ATOM 290 O ARG A 19 -18.020 0.204 13.693 1.00 0.00 O ATOM 291 CB ARG A 19 -15.902 -0.073 16.237 1.00 0.00 C ATOM 292 CG ARG A 19 -15.862 1.386 16.715 1.00 0.00 C ATOM 293 CD ARG A 19 -15.668 1.667 18.195 1.00 0.00 C ATOM 294 NE ARG A 19 -14.522 0.947 18.770 1.00 0.00 N ATOM 295 CZ ARG A 19 -14.216 0.857 20.074 1.00 0.00 C ATOM 296 NH1 ARG A 19 -15.037 1.335 21.018 1.00 0.00 N ATOM 297 NH2 ARG A 19 -13.055 0.300 20.432 1.00 0.00 N ATOM 0 H ARG A 19 -13.924 0.657 14.794 1.00 0.00 H new ATOM 0 HA ARG A 19 -16.064 -1.224 14.454 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -16.808 -0.551 16.608 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -15.058 -0.617 16.662 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -15.058 1.888 16.176 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -16.795 1.859 16.409 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -15.528 2.738 18.341 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -16.573 1.388 18.734 1.00 0.00 H new ATOM 0 HE ARG A 19 -13.901 0.471 18.116 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -15.916 1.779 20.752 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -14.783 1.255 22.003 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -12.416 -0.050 19.718 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -12.808 0.225 21.419 1.00 0.00 H new ATOM 311 N LEU A 20 -16.623 1.971 13.832 1.00 0.00 N ATOM 312 CA LEU A 20 -17.478 2.939 13.177 1.00 0.00 C ATOM 313 C LEU A 20 -17.810 2.469 11.768 1.00 0.00 C ATOM 314 O LEU A 20 -18.988 2.244 11.480 1.00 0.00 O ATOM 315 CB LEU A 20 -16.832 4.334 13.179 1.00 0.00 C ATOM 316 CG LEU A 20 -17.111 5.090 14.491 1.00 0.00 C ATOM 317 CD1 LEU A 20 -15.984 5.098 15.510 1.00 0.00 C ATOM 318 CD2 LEU A 20 -17.324 6.570 14.214 1.00 0.00 C ATOM 0 H LEU A 20 -15.733 2.367 14.133 1.00 0.00 H new ATOM 0 HA LEU A 20 -18.412 3.021 13.733 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -15.756 4.237 13.037 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -17.213 4.913 12.338 1.00 0.00 H new ATOM 0 HG LEU A 20 -17.972 4.554 14.891 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -16.294 5.659 16.391 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -15.746 4.074 15.797 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -15.102 5.567 15.074 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -17.520 7.091 15.151 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -16.430 6.985 13.748 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -18.174 6.696 13.544 1.00 0.00 H new ATOM 330 N ARG A 21 -16.789 2.267 10.917 1.00 0.00 N ATOM 331 CA ARG A 21 -17.026 1.735 9.578 1.00 0.00 C ATOM 332 C ARG A 21 -17.581 0.309 9.604 1.00 0.00 C ATOM 333 O ARG A 21 -18.172 -0.109 8.610 1.00 0.00 O ATOM 334 CB ARG A 21 -15.766 1.859 8.698 1.00 0.00 C ATOM 335 CG ARG A 21 -14.745 0.739 8.949 1.00 0.00 C ATOM 336 CD ARG A 21 -13.399 1.009 8.268 1.00 0.00 C ATOM 337 NE ARG A 21 -12.475 -0.122 8.462 1.00 0.00 N ATOM 338 CZ ARG A 21 -11.160 -0.128 8.185 1.00 0.00 C ATOM 339 NH1 ARG A 21 -10.544 0.971 7.733 1.00 0.00 N ATOM 340 NH2 ARG A 21 -10.457 -1.253 8.357 1.00 0.00 N ATOM 0 H ARG A 21 -15.811 2.462 11.133 1.00 0.00 H new ATOM 0 HA ARG A 21 -17.803 2.348 9.121 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -16.060 1.846 7.648 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -15.293 2.823 8.885 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -14.590 0.627 10.022 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -15.150 -0.205 8.585 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -13.554 1.179 7.202 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -12.957 1.919 8.675 1.00 0.00 H new ATOM 0 HE ARG A 21 -12.871 -0.982 8.842 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -11.073 1.832 7.594 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -9.545 0.948 7.528 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -10.920 -2.097 8.696 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -9.458 -1.267 8.149 1.00 0.00 H new ATOM 354 N ALA A 22 -17.424 -0.419 10.722 1.00 0.00 N ATOM 355 CA ALA A 22 -18.002 -1.763 10.838 1.00 0.00 C ATOM 356 C ALA A 22 -19.517 -1.766 11.078 1.00 0.00 C ATOM 357 O ALA A 22 -20.146 -2.804 10.875 1.00 0.00 O ATOM 358 CB ALA A 22 -17.302 -2.559 11.932 1.00 0.00 C ATOM 0 H ALA A 22 -16.910 -0.104 11.545 1.00 0.00 H new ATOM 0 HA ALA A 22 -17.839 -2.239 9.871 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -17.746 -3.552 12.001 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -16.242 -2.651 11.693 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -17.416 -2.044 12.886 1.00 0.00 H new ATOM 364 N ALA A 23 -20.108 -0.629 11.468 1.00 0.00 N ATOM 365 CA ALA A 23 -21.547 -0.438 11.481 1.00 0.00 C ATOM 366 C ALA A 23 -21.896 0.280 10.179 1.00 0.00 C ATOM 367 O ALA A 23 -22.083 -0.361 9.148 1.00 0.00 O ATOM 368 CB ALA A 23 -21.950 0.317 12.756 1.00 0.00 C ATOM 0 H ALA A 23 -19.586 0.188 11.785 1.00 0.00 H new ATOM 0 HA ALA A 23 -22.109 -1.371 11.516 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -23.030 0.461 12.767 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -21.652 -0.261 13.631 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -21.454 1.287 12.776 1.00 0.00 H new ATOM 374 N ASN A 24 -21.942 1.611 10.239 1.00 0.00 N ATOM 375 CA ASN A 24 -22.028 2.550 9.132 1.00 0.00 C ATOM 376 C ASN A 24 -21.705 3.982 9.592 1.00 0.00 C ATOM 377 O ASN A 24 -21.920 4.942 8.854 1.00 0.00 O ATOM 378 CB ASN A 24 -23.411 2.478 8.471 1.00 0.00 C ATOM 379 CG ASN A 24 -24.520 3.132 9.295 1.00 0.00 C ATOM 380 OD1 ASN A 24 -25.042 4.174 8.919 1.00 0.00 O ATOM 381 ND2 ASN A 24 -24.889 2.523 10.421 1.00 0.00 N ATOM 0 H ASN A 24 -21.918 2.094 11.137 1.00 0.00 H new ATOM 0 HA ASN A 24 -21.282 2.269 8.389 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -23.363 2.960 7.495 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -23.667 1.433 8.298 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -25.628 2.924 10.999 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -24.433 1.656 10.705 1.00 0.00 H new ATOM 388 N LYS A 25 -21.209 4.127 10.826 1.00 0.00 N ATOM 389 CA LYS A 25 -20.746 5.365 11.411 1.00 0.00 C ATOM 390 C LYS A 25 -19.381 5.707 10.806 1.00 0.00 C ATOM 391 O LYS A 25 -18.804 4.929 10.042 1.00 0.00 O ATOM 392 CB LYS A 25 -20.716 5.194 12.937 1.00 0.00 C ATOM 393 CG LYS A 25 -22.151 5.089 13.474 1.00 0.00 C ATOM 394 CD LYS A 25 -22.230 5.361 14.979 1.00 0.00 C ATOM 395 CE LYS A 25 -23.540 6.053 15.354 1.00 0.00 C ATOM 396 NZ LYS A 25 -24.735 5.258 15.004 1.00 0.00 N ATOM 0 H LYS A 25 -21.120 3.337 11.466 1.00 0.00 H new ATOM 0 HA LYS A 25 -21.410 6.202 11.193 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -20.152 4.299 13.201 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -20.206 6.040 13.398 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -22.787 5.798 12.945 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -22.542 4.093 13.266 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -22.144 4.421 15.525 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -21.388 5.984 15.282 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -23.545 6.253 16.425 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -23.592 7.018 14.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -25.484 5.431 15.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -25.072 5.535 14.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -24.491 4.247 15.001 1.00 0.00 H new ATOM 410 N PHE A 26 -18.852 6.881 11.145 1.00 0.00 N ATOM 411 CA PHE A 26 -17.530 7.324 10.730 1.00 0.00 C ATOM 412 C PHE A 26 -17.110 8.426 11.722 1.00 0.00 C ATOM 413 O PHE A 26 -17.976 9.077 12.324 1.00 0.00 O ATOM 414 CB PHE A 26 -17.554 7.825 9.270 1.00 0.00 C ATOM 415 CG PHE A 26 -18.096 9.227 9.185 1.00 0.00 C ATOM 416 CD1 PHE A 26 -19.430 9.462 9.551 1.00 0.00 C ATOM 417 CD2 PHE A 26 -17.203 10.300 9.035 1.00 0.00 C ATOM 418 CE1 PHE A 26 -19.831 10.751 9.905 1.00 0.00 C ATOM 419 CE2 PHE A 26 -17.620 11.598 9.360 1.00 0.00 C ATOM 420 CZ PHE A 26 -18.910 11.809 9.855 1.00 0.00 C ATOM 0 H PHE A 26 -19.342 7.561 11.727 1.00 0.00 H new ATOM 0 HA PHE A 26 -16.807 6.509 10.749 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -16.546 7.796 8.856 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -18.167 7.158 8.664 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -20.142 8.650 9.559 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -16.201 10.126 8.671 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -20.849 10.934 10.217 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -16.947 12.432 9.228 1.00 0.00 H new ATOM 0 HZ PHE A 26 -19.199 12.790 10.201 1.00 0.00 H new ATOM 430 N PRO A 27 -15.803 8.610 11.959 1.00 0.00 N ATOM 431 CA PRO A 27 -15.348 9.513 13.004 1.00 0.00 C ATOM 432 C PRO A 27 -15.536 10.987 12.654 1.00 0.00 C ATOM 433 O PRO A 27 -15.586 11.366 11.485 1.00 0.00 O ATOM 434 CB PRO A 27 -13.876 9.168 13.208 1.00 0.00 C ATOM 435 CG PRO A 27 -13.446 8.474 11.917 1.00 0.00 C ATOM 436 CD PRO A 27 -14.720 7.738 11.530 1.00 0.00 C ATOM 0 HA PRO A 27 -15.937 9.381 13.911 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -13.283 10.064 13.390 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -13.740 8.515 14.070 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -13.135 9.186 11.152 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -12.611 7.792 12.076 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -14.761 7.557 10.456 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -14.778 6.766 12.019 1.00 0.00 H new ATOM 444 N ALA A 28 -15.558 11.822 13.696 1.00 0.00 N ATOM 445 CA ALA A 28 -15.381 13.261 13.595 1.00 0.00 C ATOM 446 C ALA A 28 -14.576 13.790 14.784 1.00 0.00 C ATOM 447 O ALA A 28 -14.197 13.031 15.686 1.00 0.00 O ATOM 448 CB ALA A 28 -16.739 13.961 13.468 1.00 0.00 C ATOM 0 H ALA A 28 -15.703 11.502 14.654 1.00 0.00 H new ATOM 0 HA ALA A 28 -14.812 13.483 12.692 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -16.588 15.038 13.393 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -17.250 13.604 12.574 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -17.346 13.740 14.346 1.00 0.00 H new ATOM 454 N ILE A 29 -14.348 15.109 14.776 1.00 0.00 N ATOM 455 CA ILE A 29 -13.712 15.847 15.866 1.00 0.00 C ATOM 456 C ILE A 29 -14.476 17.144 16.113 1.00 0.00 C ATOM 457 O ILE A 29 -15.209 17.631 15.255 1.00 0.00 O ATOM 458 CB ILE A 29 -12.210 16.060 15.558 1.00 0.00 C ATOM 459 CG1 ILE A 29 -11.311 16.667 16.656 1.00 0.00 C ATOM 460 CG2 ILE A 29 -12.017 16.963 14.344 1.00 0.00 C ATOM 461 CD1 ILE A 29 -11.194 15.817 17.909 1.00 0.00 C ATOM 0 H ILE A 29 -14.609 15.705 13.990 1.00 0.00 H new ATOM 0 HA ILE A 29 -13.753 15.275 16.793 1.00 0.00 H new ATOM 0 HB ILE A 29 -11.892 15.027 15.419 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -10.314 16.827 16.245 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -11.704 17.646 16.931 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -10.952 17.093 14.153 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -12.488 16.508 13.473 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -12.473 17.934 14.537 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -10.545 16.317 18.628 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -12.182 15.677 18.348 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -10.771 14.846 17.652 1.00 0.00 H new ATOM 473 N ILE A 30 -14.260 17.699 17.301 1.00 0.00 N ATOM 474 CA ILE A 30 -14.792 18.968 17.770 1.00 0.00 C ATOM 475 C ILE A 30 -13.580 19.695 18.330 1.00 0.00 C ATOM 476 O ILE A 30 -13.191 19.426 19.464 1.00 0.00 O ATOM 477 CB ILE A 30 -15.918 18.769 18.824 1.00 0.00 C ATOM 478 CG1 ILE A 30 -17.144 18.181 18.109 1.00 0.00 C ATOM 479 CG2 ILE A 30 -16.211 20.070 19.593 1.00 0.00 C ATOM 480 CD1 ILE A 30 -18.400 17.926 18.955 1.00 0.00 C ATOM 0 H ILE A 30 -13.674 17.246 18.002 1.00 0.00 H new ATOM 0 HA ILE A 30 -15.273 19.541 16.977 1.00 0.00 H new ATOM 0 HB ILE A 30 -15.602 18.064 19.593 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -17.416 18.855 17.297 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -16.847 17.236 17.653 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -17.003 19.892 20.320 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -15.309 20.397 20.111 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -16.528 20.843 18.893 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -19.186 17.511 18.324 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -18.165 17.221 19.752 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -18.742 18.865 19.390 1.00 0.00 H new ATOM 492 N TYR A 31 -12.944 20.553 17.527 1.00 0.00 N ATOM 493 CA TYR A 31 -11.671 21.154 17.898 1.00 0.00 C ATOM 494 C TYR A 31 -11.745 22.651 18.112 1.00 0.00 C ATOM 495 O TYR A 31 -12.815 23.250 18.024 1.00 0.00 O ATOM 496 CB TYR A 31 -10.558 20.707 16.958 1.00 0.00 C ATOM 497 CG TYR A 31 -10.571 21.074 15.485 1.00 0.00 C ATOM 498 CD1 TYR A 31 -10.607 22.404 15.008 1.00 0.00 C ATOM 499 CD2 TYR A 31 -10.327 20.030 14.579 1.00 0.00 C ATOM 500 CE1 TYR A 31 -10.447 22.643 13.629 1.00 0.00 C ATOM 501 CE2 TYR A 31 -10.175 20.261 13.210 1.00 0.00 C ATOM 502 CZ TYR A 31 -10.264 21.578 12.720 1.00 0.00 C ATOM 503 OH TYR A 31 -10.184 21.815 11.382 1.00 0.00 O ATOM 0 H TYR A 31 -13.295 20.844 16.615 1.00 0.00 H new ATOM 0 HA TYR A 31 -11.410 20.772 18.885 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -9.623 21.086 17.371 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -10.514 19.619 17.013 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -10.755 23.227 15.692 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -10.255 19.019 14.951 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -10.465 23.658 13.261 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -9.991 19.438 12.535 1.00 0.00 H new ATOM 0 HH TYR A 31 -10.431 21.004 10.891 1.00 0.00 H new ATOM 574 N PRO A 37 -9.465 19.339 22.089 1.00 0.00 N ATOM 575 CA PRO A 37 -10.648 19.027 21.291 1.00 0.00 C ATOM 576 C PRO A 37 -11.394 17.790 21.832 1.00 0.00 C ATOM 577 O PRO A 37 -11.133 17.343 22.950 1.00 0.00 O ATOM 578 CB PRO A 37 -10.062 18.793 19.905 1.00 0.00 C ATOM 579 CG PRO A 37 -8.816 18.009 20.226 1.00 0.00 C ATOM 580 CD PRO A 37 -8.303 18.697 21.478 1.00 0.00 C ATOM 0 HA PRO A 37 -11.402 19.814 21.305 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -10.742 18.234 19.262 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -9.836 19.728 19.393 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -9.034 16.956 20.403 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -8.090 18.052 19.414 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -7.850 17.978 22.161 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -7.535 19.431 21.233 1.00 0.00 H new ATOM 588 N LEU A 38 -12.346 17.251 21.051 1.00 0.00 N ATOM 589 CA LEU A 38 -13.258 16.197 21.495 1.00 0.00 C ATOM 590 C LEU A 38 -13.704 15.361 20.298 1.00 0.00 C ATOM 591 O LEU A 38 -14.538 15.792 19.507 1.00 0.00 O ATOM 592 CB LEU A 38 -14.465 16.833 22.199 1.00 0.00 C ATOM 593 CG LEU A 38 -15.449 15.786 22.769 1.00 0.00 C ATOM 594 CD1 LEU A 38 -15.160 15.605 24.259 1.00 0.00 C ATOM 595 CD2 LEU A 38 -16.889 16.252 22.545 1.00 0.00 C ATOM 0 H LEU A 38 -12.501 17.541 20.086 1.00 0.00 H new ATOM 0 HA LEU A 38 -12.749 15.539 22.199 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -14.112 17.471 23.009 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -14.993 17.475 21.494 1.00 0.00 H new ATOM 0 HG LEU A 38 -15.321 14.830 22.260 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -15.847 14.869 24.676 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -14.134 15.261 24.391 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -15.292 16.557 24.774 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -17.578 15.510 22.949 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -17.046 17.205 23.050 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -17.070 16.373 21.477 1.00 0.00 H new ATOM 607 N ALA A 39 -13.120 14.174 20.139 1.00 0.00 N ATOM 608 CA ALA A 39 -13.494 13.244 19.083 1.00 0.00 C ATOM 609 C ALA A 39 -14.850 12.622 19.431 1.00 0.00 C ATOM 610 O ALA A 39 -15.037 12.215 20.576 1.00 0.00 O ATOM 611 CB ALA A 39 -12.389 12.200 18.963 1.00 0.00 C ATOM 0 H ALA A 39 -12.372 13.832 20.743 1.00 0.00 H new ATOM 0 HA ALA A 39 -13.600 13.742 18.119 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -12.644 11.489 18.177 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -11.449 12.692 18.716 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -12.283 11.671 19.910 1.00 0.00 H new ATOM 617 N ILE A 40 -15.797 12.547 18.482 1.00 0.00 N ATOM 618 CA ILE A 40 -17.151 12.088 18.711 1.00 0.00 C ATOM 619 C ILE A 40 -17.561 11.240 17.496 1.00 0.00 C ATOM 620 O ILE A 40 -17.396 11.643 16.344 1.00 0.00 O ATOM 621 CB ILE A 40 -18.091 13.274 19.004 1.00 0.00 C ATOM 622 CG1 ILE A 40 -17.776 14.648 18.403 1.00 0.00 C ATOM 623 CG2 ILE A 40 -18.139 13.532 20.513 1.00 0.00 C ATOM 624 CD1 ILE A 40 -17.672 14.721 16.896 1.00 0.00 C ATOM 0 H ILE A 40 -15.624 12.814 17.513 1.00 0.00 H new ATOM 0 HA ILE A 40 -17.220 11.461 19.600 1.00 0.00 H new ATOM 0 HB ILE A 40 -19.010 12.927 18.532 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -18.549 15.346 18.725 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -16.834 14.997 18.827 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -18.804 14.371 20.718 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -18.509 12.642 21.023 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -17.138 13.766 20.874 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -17.446 15.744 16.596 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -16.877 14.059 16.554 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -18.618 14.413 16.451 1.00 0.00 H new ATOM 636 N GLU A 41 -18.031 10.026 17.778 1.00 0.00 N ATOM 637 CA GLU A 41 -18.502 9.005 16.858 1.00 0.00 C ATOM 638 C GLU A 41 -19.928 9.335 16.419 1.00 0.00 C ATOM 639 O GLU A 41 -20.798 9.456 17.278 1.00 0.00 O ATOM 640 CB GLU A 41 -18.408 7.650 17.603 1.00 0.00 C ATOM 641 CG GLU A 41 -19.348 6.539 17.094 1.00 0.00 C ATOM 642 CD GLU A 41 -18.953 5.111 17.502 1.00 0.00 C ATOM 643 OE1 GLU A 41 -17.996 4.945 18.293 1.00 0.00 O ATOM 644 OE2 GLU A 41 -19.603 4.185 16.966 1.00 0.00 O ATOM 0 H GLU A 41 -18.095 9.709 18.745 1.00 0.00 H new ATOM 0 HA GLU A 41 -17.900 8.957 15.950 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -17.381 7.290 17.536 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -18.617 7.822 18.659 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -20.354 6.740 17.462 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -19.390 6.591 16.006 1.00 0.00 H new ATOM 651 N LEU A 42 -20.184 9.473 15.107 1.00 0.00 N ATOM 652 CA LEU A 42 -21.529 9.770 14.610 1.00 0.00 C ATOM 653 C LEU A 42 -21.878 9.009 13.334 1.00 0.00 C ATOM 654 O LEU A 42 -21.027 8.397 12.690 1.00 0.00 O ATOM 655 CB LEU A 42 -21.748 11.284 14.431 1.00 0.00 C ATOM 656 CG LEU A 42 -21.066 11.922 13.204 1.00 0.00 C ATOM 657 CD1 LEU A 42 -21.742 13.237 12.869 1.00 0.00 C ATOM 658 CD2 LEU A 42 -19.587 12.221 13.431 1.00 0.00 C ATOM 0 H LEU A 42 -19.477 9.383 14.377 1.00 0.00 H new ATOM 0 HA LEU A 42 -22.216 9.417 15.379 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -22.820 11.471 14.365 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -21.390 11.792 15.327 1.00 0.00 H new ATOM 0 HG LEU A 42 -21.157 11.196 12.396 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -21.257 13.685 12.001 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -22.794 13.059 12.645 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -21.662 13.914 13.719 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -19.164 12.669 12.532 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -19.480 12.914 14.266 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -19.059 11.295 13.658 1.00 0.00 H new ATOM 670 N ASP A 43 -23.165 9.082 12.980 1.00 0.00 N ATOM 671 CA ASP A 43 -23.743 8.428 11.821 1.00 0.00 C ATOM 672 C ASP A 43 -23.381 9.174 10.544 1.00 0.00 C ATOM 673 O ASP A 43 -23.557 10.393 10.463 1.00 0.00 O ATOM 674 CB ASP A 43 -25.265 8.330 11.978 1.00 0.00 C ATOM 675 CG ASP A 43 -25.739 6.939 11.578 1.00 0.00 C ATOM 676 OD1 ASP A 43 -25.597 6.024 12.424 1.00 0.00 O ATOM 677 OD2 ASP A 43 -26.208 6.823 10.428 1.00 0.00 O ATOM 0 H ASP A 43 -23.848 9.618 13.515 1.00 0.00 H new ATOM 0 HA ASP A 43 -23.333 7.420 11.749 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -25.547 8.537 13.010 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -25.752 9.082 11.358 1.00 0.00 H new ATOM 682 N HIS A 44 -22.916 8.419 9.542 1.00 0.00 N ATOM 683 CA HIS A 44 -22.657 8.933 8.209 1.00 0.00 C ATOM 684 C HIS A 44 -23.957 9.378 7.555 1.00 0.00 C ATOM 685 O HIS A 44 -24.004 10.491 7.046 1.00 0.00 O ATOM 686 CB HIS A 44 -21.989 7.850 7.356 1.00 0.00 C ATOM 687 CG HIS A 44 -21.803 8.263 5.918 1.00 0.00 C ATOM 688 ND1 HIS A 44 -22.772 8.245 4.937 1.00 0.00 N ATOM 689 CD2 HIS A 44 -20.670 8.802 5.374 1.00 0.00 C ATOM 690 CE1 HIS A 44 -22.238 8.791 3.833 1.00 0.00 C ATOM 691 NE2 HIS A 44 -20.959 9.139 4.048 1.00 0.00 N ATOM 0 H HIS A 44 -22.710 7.425 9.644 1.00 0.00 H new ATOM 0 HA HIS A 44 -21.990 9.792 8.286 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -21.018 7.604 7.786 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -22.593 6.943 7.392 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -23.721 7.883 5.033 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -19.724 8.942 5.877 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -22.764 8.931 2.900 1.00 0.00 H new ATOM 699 N ASP A 45 -24.987 8.520 7.540 1.00 0.00 N ATOM 700 CA ASP A 45 -26.240 8.796 6.838 1.00 0.00 C ATOM 701 C ASP A 45 -26.884 10.094 7.334 1.00 0.00 C ATOM 702 O ASP A 45 -27.337 10.909 6.523 1.00 0.00 O ATOM 703 CB ASP A 45 -27.198 7.614 7.008 1.00 0.00 C ATOM 704 CG ASP A 45 -28.438 7.785 6.131 1.00 0.00 C ATOM 705 OD1 ASP A 45 -28.289 7.613 4.901 1.00 0.00 O ATOM 706 OD2 ASP A 45 -29.508 8.094 6.701 1.00 0.00 O ATOM 0 H ASP A 45 -24.971 7.617 8.015 1.00 0.00 H new ATOM 0 HA ASP A 45 -26.021 8.927 5.778 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -26.688 6.687 6.746 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -27.496 7.530 8.053 1.00 0.00 H new ATOM 711 N LYS A 46 -26.838 10.310 8.660 1.00 0.00 N ATOM 712 CA LYS A 46 -27.223 11.564 9.280 1.00 0.00 C ATOM 713 C LYS A 46 -26.341 12.664 8.702 1.00 0.00 C ATOM 714 O LYS A 46 -26.824 13.400 7.847 1.00 0.00 O ATOM 715 CB LYS A 46 -27.132 11.464 10.814 1.00 0.00 C ATOM 716 CG LYS A 46 -27.591 12.757 11.489 1.00 0.00 C ATOM 717 CD LYS A 46 -27.249 12.852 12.977 1.00 0.00 C ATOM 718 CE LYS A 46 -27.830 11.742 13.838 1.00 0.00 C ATOM 719 NZ LYS A 46 -26.861 10.668 14.129 1.00 0.00 N ATOM 0 H LYS A 46 -26.528 9.604 9.327 1.00 0.00 H new ATOM 0 HA LYS A 46 -28.264 11.803 9.062 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -27.745 10.633 11.162 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -26.105 11.246 11.105 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -27.139 13.603 10.971 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -28.671 12.850 11.371 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -26.165 12.848 13.087 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -27.604 13.810 13.356 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -28.185 12.167 14.777 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -28.696 11.315 13.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -27.372 9.788 14.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -26.249 10.519 13.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -26.278 10.939 14.946 1.00 0.00 H new ATOM 733 N VAL A 47 -25.077 12.789 9.149 1.00 0.00 N ATOM 734 CA VAL A 47 -24.264 13.959 8.860 1.00 0.00 C ATOM 735 C VAL A 47 -24.142 14.255 7.366 1.00 0.00 C ATOM 736 O VAL A 47 -23.943 15.397 6.992 1.00 0.00 O ATOM 737 CB VAL A 47 -22.887 13.813 9.489 1.00 0.00 C ATOM 738 CG1 VAL A 47 -21.991 12.924 8.657 1.00 0.00 C ATOM 739 CG2 VAL A 47 -22.221 15.179 9.667 1.00 0.00 C ATOM 0 H VAL A 47 -24.605 12.083 9.714 1.00 0.00 H new ATOM 0 HA VAL A 47 -24.778 14.813 9.301 1.00 0.00 H new ATOM 0 HB VAL A 47 -23.028 13.351 10.466 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -21.015 12.841 9.135 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -22.439 11.934 8.572 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -21.872 13.355 7.663 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -21.238 15.048 10.119 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -22.113 15.660 8.695 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -22.837 15.803 10.314 1.00 0.00 H new ATOM 749 N MET A 48 -24.252 13.232 6.520 1.00 0.00 N ATOM 750 CA MET A 48 -24.319 13.349 5.080 1.00 0.00 C ATOM 751 C MET A 48 -25.374 14.379 4.722 1.00 0.00 C ATOM 752 O MET A 48 -25.026 15.428 4.200 1.00 0.00 O ATOM 753 CB MET A 48 -24.565 11.992 4.413 1.00 0.00 C ATOM 754 CG MET A 48 -25.046 12.119 2.961 1.00 0.00 C ATOM 755 SD MET A 48 -24.146 13.200 1.810 1.00 0.00 S ATOM 756 CE MET A 48 -22.442 12.750 2.175 1.00 0.00 C ATOM 0 H MET A 48 -24.298 12.265 6.840 1.00 0.00 H new ATOM 0 HA MET A 48 -23.358 13.691 4.695 1.00 0.00 H new ATOM 0 HB2 MET A 48 -23.644 11.409 4.436 1.00 0.00 H new ATOM 0 HB3 MET A 48 -25.307 11.439 4.989 1.00 0.00 H new ATOM 0 HG2 MET A 48 -25.053 11.118 2.531 1.00 0.00 H new ATOM 0 HG3 MET A 48 -26.081 12.461 2.989 1.00 0.00 H new ATOM 0 HE1 MET A 48 -21.844 12.824 1.267 1.00 0.00 H new ATOM 0 HE2 MET A 48 -22.041 13.426 2.930 1.00 0.00 H new ATOM 0 HE3 MET A 48 -22.408 11.727 2.549 1.00 0.00 H new ATOM 766 N ASN A 49 -26.638 14.122 5.060 1.00 0.00 N ATOM 767 CA ASN A 49 -27.714 15.070 4.811 1.00 0.00 C ATOM 768 C ASN A 49 -27.519 16.422 5.494 1.00 0.00 C ATOM 769 O ASN A 49 -28.135 17.404 5.083 1.00 0.00 O ATOM 770 CB ASN A 49 -28.990 14.418 5.354 1.00 0.00 C ATOM 771 CG ASN A 49 -30.251 15.255 5.235 1.00 0.00 C ATOM 772 OD1 ASN A 49 -30.646 15.666 4.149 1.00 0.00 O ATOM 773 ND2 ASN A 49 -30.921 15.458 6.364 1.00 0.00 N ATOM 0 H ASN A 49 -26.939 13.257 5.510 1.00 0.00 H new ATOM 0 HA ASN A 49 -27.752 15.280 3.742 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -29.148 13.476 4.828 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -28.834 14.174 6.405 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -31.801 15.974 6.349 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -30.556 15.098 7.246 1.00 0.00 H new ATOM 780 N MET A 50 -26.670 16.490 6.521 1.00 0.00 N ATOM 781 CA MET A 50 -26.441 17.689 7.271 1.00 0.00 C ATOM 782 C MET A 50 -25.393 18.520 6.501 1.00 0.00 C ATOM 783 O MET A 50 -25.750 19.522 5.896 1.00 0.00 O ATOM 784 CB MET A 50 -26.045 17.264 8.692 1.00 0.00 C ATOM 785 CG MET A 50 -26.930 16.221 9.352 1.00 0.00 C ATOM 786 SD MET A 50 -28.627 16.670 9.769 1.00 0.00 S ATOM 787 CE MET A 50 -28.553 16.380 11.553 1.00 0.00 C ATOM 0 H MET A 50 -26.123 15.693 6.846 1.00 0.00 H new ATOM 0 HA MET A 50 -27.313 18.334 7.380 1.00 0.00 H new ATOM 0 HB2 MET A 50 -25.026 16.879 8.663 1.00 0.00 H new ATOM 0 HB3 MET A 50 -26.032 18.152 9.324 1.00 0.00 H new ATOM 0 HG2 MET A 50 -26.969 15.354 8.692 1.00 0.00 H new ATOM 0 HG3 MET A 50 -26.437 15.901 10.270 1.00 0.00 H new ATOM 0 HE1 MET A 50 -29.518 16.012 11.902 1.00 0.00 H new ATOM 0 HE2 MET A 50 -27.782 15.640 11.770 1.00 0.00 H new ATOM 0 HE3 MET A 50 -28.314 17.313 12.064 1.00 0.00 H new ATOM 797 N GLN A 51 -24.128 18.074 6.440 1.00 0.00 N ATOM 798 CA GLN A 51 -22.982 18.641 5.708 1.00 0.00 C ATOM 799 C GLN A 51 -23.262 18.908 4.234 1.00 0.00 C ATOM 800 O GLN A 51 -22.564 19.710 3.614 1.00 0.00 O ATOM 801 CB GLN A 51 -21.756 17.710 5.929 1.00 0.00 C ATOM 802 CG GLN A 51 -20.776 17.484 4.767 1.00 0.00 C ATOM 803 CD GLN A 51 -21.354 16.765 3.553 1.00 0.00 C ATOM 804 OE1 GLN A 51 -20.939 17.024 2.429 1.00 0.00 O ATOM 805 NE2 GLN A 51 -22.301 15.858 3.758 1.00 0.00 N ATOM 0 H GLN A 51 -23.856 17.232 6.947 1.00 0.00 H new ATOM 0 HA GLN A 51 -22.770 19.632 6.110 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -21.186 18.109 6.768 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -22.134 16.735 6.236 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -20.391 18.452 4.445 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -19.926 16.910 5.137 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -22.625 15.665 4.705 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -22.704 15.354 2.968 1.00 0.00 H new ATOM 814 N ALA A 52 -24.287 18.258 3.688 1.00 0.00 N ATOM 815 CA ALA A 52 -24.717 18.379 2.319 1.00 0.00 C ATOM 816 C ALA A 52 -25.070 19.813 1.928 1.00 0.00 C ATOM 817 O ALA A 52 -25.096 20.106 0.732 1.00 0.00 O ATOM 818 CB ALA A 52 -25.928 17.472 2.166 1.00 0.00 C ATOM 0 H ALA A 52 -24.860 17.605 4.223 1.00 0.00 H new ATOM 0 HA ALA A 52 -23.902 18.090 1.655 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -26.296 17.526 1.141 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -25.645 16.445 2.396 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -26.713 17.794 2.851 1.00 0.00 H new ATOM 824 N LYS A 53 -25.338 20.694 2.907 1.00 0.00 N ATOM 825 CA LYS A 53 -25.861 22.030 2.611 1.00 0.00 C ATOM 826 C LYS A 53 -25.070 23.131 3.309 1.00 0.00 C ATOM 827 O LYS A 53 -24.400 22.900 4.312 1.00 0.00 O ATOM 828 CB LYS A 53 -27.383 22.046 2.822 1.00 0.00 C ATOM 829 CG LYS A 53 -27.916 21.215 4.003 1.00 0.00 C ATOM 830 CD LYS A 53 -27.603 21.760 5.377 1.00 0.00 C ATOM 831 CE LYS A 53 -28.331 23.074 5.640 1.00 0.00 C ATOM 832 NZ LYS A 53 -29.797 22.920 5.717 1.00 0.00 N ATOM 0 H LYS A 53 -25.201 20.504 3.900 1.00 0.00 H new ATOM 0 HA LYS A 53 -25.709 22.267 1.558 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -27.698 23.080 2.961 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -27.859 21.688 1.909 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -28.998 21.128 3.904 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -27.507 20.207 3.929 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -27.888 21.028 6.133 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -26.528 21.914 5.472 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -27.967 23.503 6.574 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -28.087 23.782 4.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -30.256 23.721 5.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -30.078 22.033 5.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -30.092 22.897 6.714 1.00 0.00 H new ATOM 846 N ALA A 54 -25.125 24.341 2.737 1.00 0.00 N ATOM 847 CA ALA A 54 -24.269 25.447 3.149 1.00 0.00 C ATOM 848 C ALA A 54 -24.610 25.907 4.563 1.00 0.00 C ATOM 849 O ALA A 54 -23.730 26.295 5.326 1.00 0.00 O ATOM 850 CB ALA A 54 -24.399 26.606 2.157 1.00 0.00 C ATOM 0 H ALA A 54 -25.765 24.574 1.978 1.00 0.00 H new ATOM 0 HA ALA A 54 -23.235 25.101 3.153 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -23.756 27.428 2.472 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -24.099 26.271 1.164 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -25.434 26.945 2.128 1.00 0.00 H new ATOM 856 N GLU A 55 -25.895 25.810 4.911 1.00 0.00 N ATOM 857 CA GLU A 55 -26.460 26.200 6.183 1.00 0.00 C ATOM 858 C GLU A 55 -26.060 25.227 7.314 1.00 0.00 C ATOM 859 O GLU A 55 -26.383 25.464 8.472 1.00 0.00 O ATOM 860 CB GLU A 55 -27.995 26.359 6.087 1.00 0.00 C ATOM 861 CG GLU A 55 -28.607 26.583 4.690 1.00 0.00 C ATOM 862 CD GLU A 55 -30.137 26.555 4.742 1.00 0.00 C ATOM 863 OE1 GLU A 55 -30.669 25.486 5.123 1.00 0.00 O ATOM 864 OE2 GLU A 55 -30.749 27.581 4.377 1.00 0.00 O ATOM 0 H GLU A 55 -26.597 25.437 4.272 1.00 0.00 H new ATOM 0 HA GLU A 55 -26.041 27.173 6.439 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -28.452 25.466 6.514 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -28.285 27.199 6.719 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -28.272 27.541 4.293 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -28.250 25.813 4.006 1.00 0.00 H new ATOM 871 N PHE A 56 -25.372 24.117 7.012 1.00 0.00 N ATOM 872 CA PHE A 56 -24.733 23.284 8.024 1.00 0.00 C ATOM 873 C PHE A 56 -23.401 23.872 8.398 1.00 0.00 C ATOM 874 O PHE A 56 -23.114 24.069 9.579 1.00 0.00 O ATOM 875 CB PHE A 56 -24.544 21.867 7.485 1.00 0.00 C ATOM 876 CG PHE A 56 -23.639 20.912 8.243 1.00 0.00 C ATOM 877 CD1 PHE A 56 -22.241 20.884 8.048 1.00 0.00 C ATOM 878 CD2 PHE A 56 -24.238 19.912 9.018 1.00 0.00 C ATOM 879 CE1 PHE A 56 -21.483 19.815 8.562 1.00 0.00 C ATOM 880 CE2 PHE A 56 -23.481 18.840 9.518 1.00 0.00 C ATOM 881 CZ PHE A 56 -22.107 18.784 9.280 1.00 0.00 C ATOM 0 H PHE A 56 -25.247 23.777 6.059 1.00 0.00 H new ATOM 0 HA PHE A 56 -25.367 23.245 8.910 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -25.529 21.405 7.418 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -24.160 21.949 6.468 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -21.754 21.681 7.506 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -25.295 19.965 9.234 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -20.415 19.788 8.403 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -23.962 18.058 10.087 1.00 0.00 H new ATOM 0 HZ PHE A 56 -21.527 17.950 9.647 1.00 0.00 H new ATOM 891 N TYR A 57 -22.588 24.101 7.368 1.00 0.00 N ATOM 892 CA TYR A 57 -21.222 24.543 7.652 1.00 0.00 C ATOM 893 C TYR A 57 -21.214 25.966 8.216 1.00 0.00 C ATOM 894 O TYR A 57 -20.376 26.298 9.053 1.00 0.00 O ATOM 895 CB TYR A 57 -20.262 24.359 6.461 1.00 0.00 C ATOM 896 CG TYR A 57 -20.289 25.415 5.365 1.00 0.00 C ATOM 897 CD1 TYR A 57 -19.724 26.687 5.592 1.00 0.00 C ATOM 898 CD2 TYR A 57 -20.809 25.105 4.093 1.00 0.00 C ATOM 899 CE1 TYR A 57 -19.734 27.664 4.582 1.00 0.00 C ATOM 900 CE2 TYR A 57 -20.800 26.070 3.068 1.00 0.00 C ATOM 901 CZ TYR A 57 -20.277 27.360 3.314 1.00 0.00 C ATOM 902 OH TYR A 57 -20.281 28.306 2.332 1.00 0.00 O ATOM 0 H TYR A 57 -22.830 23.996 6.383 1.00 0.00 H new ATOM 0 HA TYR A 57 -20.827 23.885 8.427 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -19.246 24.307 6.853 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -20.476 23.393 6.003 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -19.280 26.912 6.550 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -21.216 24.123 3.903 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -19.327 28.646 4.775 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -21.193 25.824 2.093 1.00 0.00 H new ATOM 0 HH TYR A 57 -20.689 27.935 1.522 1.00 0.00 H new ATOM 912 N SER A 58 -22.175 26.782 7.773 1.00 0.00 N ATOM 913 CA SER A 58 -22.319 28.173 8.158 1.00 0.00 C ATOM 914 C SER A 58 -23.056 28.325 9.495 1.00 0.00 C ATOM 915 O SER A 58 -22.714 29.239 10.246 1.00 0.00 O ATOM 916 CB SER A 58 -23.046 28.911 7.025 1.00 0.00 C ATOM 917 OG SER A 58 -23.106 30.302 7.258 1.00 0.00 O ATOM 0 H SER A 58 -22.892 26.475 7.116 1.00 0.00 H new ATOM 0 HA SER A 58 -21.332 28.611 8.310 1.00 0.00 H new ATOM 0 HB2 SER A 58 -22.534 28.722 6.081 1.00 0.00 H new ATOM 0 HB3 SER A 58 -24.057 28.516 6.924 1.00 0.00 H new ATOM 0 HG SER A 58 -23.574 30.738 6.516 1.00 0.00 H new ATOM 923 N GLU A 59 -24.039 27.461 9.813 1.00 0.00 N ATOM 924 CA GLU A 59 -24.961 27.700 10.916 1.00 0.00 C ATOM 925 C GLU A 59 -24.838 26.538 11.900 1.00 0.00 C ATOM 926 O GLU A 59 -25.142 25.394 11.553 1.00 0.00 O ATOM 927 CB GLU A 59 -26.411 27.920 10.438 1.00 0.00 C ATOM 928 CG GLU A 59 -26.598 28.567 9.047 1.00 0.00 C ATOM 929 CD GLU A 59 -27.626 29.697 9.085 1.00 0.00 C ATOM 930 OE1 GLU A 59 -28.827 29.375 8.945 1.00 0.00 O ATOM 931 OE2 GLU A 59 -27.200 30.856 9.277 1.00 0.00 O ATOM 0 H GLU A 59 -24.207 26.589 9.312 1.00 0.00 H new ATOM 0 HA GLU A 59 -24.691 28.629 11.418 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -26.917 26.955 10.434 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -26.920 28.543 11.173 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -25.643 28.955 8.695 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -26.917 27.808 8.332 1.00 0.00 H new ATOM 938 N VAL A 60 -24.361 26.858 13.111 1.00 0.00 N ATOM 939 CA VAL A 60 -23.955 25.942 14.174 1.00 0.00 C ATOM 940 C VAL A 60 -24.897 24.746 14.337 1.00 0.00 C ATOM 941 O VAL A 60 -26.118 24.883 14.241 1.00 0.00 O ATOM 942 CB VAL A 60 -23.783 26.743 15.485 1.00 0.00 C ATOM 943 CG1 VAL A 60 -25.068 27.450 15.957 1.00 0.00 C ATOM 944 CG2 VAL A 60 -23.245 25.890 16.620 1.00 0.00 C ATOM 0 H VAL A 60 -24.242 27.833 13.388 1.00 0.00 H new ATOM 0 HA VAL A 60 -22.999 25.497 13.897 1.00 0.00 H new ATOM 0 HB VAL A 60 -23.052 27.511 15.230 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -24.867 27.990 16.882 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -25.399 28.152 15.191 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -25.848 26.709 16.132 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -23.143 26.501 17.517 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -23.934 25.069 16.816 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -22.271 25.487 16.342 1.00 0.00 H new ATOM 954 N LEU A 61 -24.313 23.577 14.625 1.00 0.00 N ATOM 955 CA LEU A 61 -25.017 22.320 14.756 1.00 0.00 C ATOM 956 C LEU A 61 -24.916 21.845 16.204 1.00 0.00 C ATOM 957 O LEU A 61 -23.957 22.206 16.889 1.00 0.00 O ATOM 958 CB LEU A 61 -24.366 21.286 13.834 1.00 0.00 C ATOM 959 CG LEU A 61 -23.984 21.726 12.400 1.00 0.00 C ATOM 960 CD1 LEU A 61 -23.016 20.686 11.846 1.00 0.00 C ATOM 961 CD2 LEU A 61 -25.149 21.886 11.409 1.00 0.00 C ATOM 0 H LEU A 61 -23.308 23.489 14.776 1.00 0.00 H new ATOM 0 HA LEU A 61 -26.065 22.446 14.483 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -23.462 20.925 14.324 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -25.045 20.437 13.753 1.00 0.00 H new ATOM 0 HG LEU A 61 -23.556 22.724 12.494 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -22.724 20.964 10.833 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -22.130 20.640 12.479 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -23.501 19.710 11.829 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -24.761 22.197 10.439 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -25.670 20.935 11.304 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -25.842 22.640 11.781 1.00 0.00 H new ATOM 973 N THR A 62 -25.860 21.007 16.658 1.00 0.00 N ATOM 974 CA THR A 62 -25.882 20.565 18.050 1.00 0.00 C ATOM 975 C THR A 62 -25.515 19.080 18.124 1.00 0.00 C ATOM 976 O THR A 62 -26.343 18.222 17.851 1.00 0.00 O ATOM 977 CB THR A 62 -27.243 20.866 18.690 1.00 0.00 C ATOM 978 OG1 THR A 62 -27.728 22.158 18.370 1.00 0.00 O ATOM 979 CG2 THR A 62 -27.150 20.730 20.207 1.00 0.00 C ATOM 0 H THR A 62 -26.611 20.627 16.082 1.00 0.00 H new ATOM 0 HA THR A 62 -25.138 21.119 18.623 1.00 0.00 H new ATOM 0 HB THR A 62 -27.946 20.139 18.283 1.00 0.00 H new ATOM 0 HG1 THR A 62 -28.625 22.274 18.748 1.00 0.00 H new ATOM 0 HG21 THR A 62 -28.121 20.946 20.652 1.00 0.00 H new ATOM 0 HG22 THR A 62 -26.851 19.714 20.464 1.00 0.00 H new ATOM 0 HG23 THR A 62 -26.411 21.433 20.591 1.00 0.00 H new ATOM 987 N ILE A 63 -24.269 18.750 18.456 1.00 0.00 N ATOM 988 CA ILE A 63 -23.797 17.381 18.565 1.00 0.00 C ATOM 989 C ILE A 63 -24.272 16.813 19.894 1.00 0.00 C ATOM 990 O ILE A 63 -23.772 17.201 20.945 1.00 0.00 O ATOM 991 CB ILE A 63 -22.259 17.280 18.457 1.00 0.00 C ATOM 992 CG1 ILE A 63 -21.626 18.256 17.461 1.00 0.00 C ATOM 993 CG2 ILE A 63 -21.848 15.838 18.151 1.00 0.00 C ATOM 994 CD1 ILE A 63 -22.191 18.257 16.051 1.00 0.00 C ATOM 0 H ILE A 63 -23.549 19.443 18.660 1.00 0.00 H new ATOM 0 HA ILE A 63 -24.206 16.806 17.734 1.00 0.00 H new ATOM 0 HB ILE A 63 -21.868 17.579 19.430 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -21.721 19.264 17.866 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -20.560 18.036 17.400 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -20.762 15.777 18.077 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -22.194 15.183 18.951 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -22.294 15.525 17.207 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -21.658 18.990 15.446 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -22.071 17.267 15.610 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -23.250 18.514 16.083 1.00 0.00 H new ATOM 1006 N VAL A 64 -25.248 15.908 19.850 1.00 0.00 N ATOM 1007 CA VAL A 64 -25.831 15.320 21.047 1.00 0.00 C ATOM 1008 C VAL A 64 -25.054 14.045 21.352 1.00 0.00 C ATOM 1009 O VAL A 64 -25.436 12.967 20.901 1.00 0.00 O ATOM 1010 CB VAL A 64 -27.346 15.132 20.885 1.00 0.00 C ATOM 1011 CG1 VAL A 64 -28.015 14.631 22.158 1.00 0.00 C ATOM 1012 CG2 VAL A 64 -27.988 16.475 20.564 1.00 0.00 C ATOM 0 H VAL A 64 -25.655 15.564 18.980 1.00 0.00 H new ATOM 0 HA VAL A 64 -25.740 15.979 21.911 1.00 0.00 H new ATOM 0 HB VAL A 64 -27.483 14.398 20.091 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -29.085 14.516 21.986 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -27.587 13.669 22.439 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -27.852 15.349 22.962 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -29.064 16.345 20.448 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -27.792 17.175 21.376 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -27.568 16.867 19.638 1.00 0.00 H new ATOM 1022 N VAL A 65 -23.929 14.196 22.060 1.00 0.00 N ATOM 1023 CA VAL A 65 -23.005 13.136 22.404 1.00 0.00 C ATOM 1024 C VAL A 65 -23.642 12.356 23.544 1.00 0.00 C ATOM 1025 O VAL A 65 -23.611 12.797 24.690 1.00 0.00 O ATOM 1026 CB VAL A 65 -21.584 13.679 22.688 1.00 0.00 C ATOM 1027 CG1 VAL A 65 -21.131 14.587 21.544 1.00 0.00 C ATOM 1028 CG2 VAL A 65 -21.396 14.479 23.979 1.00 0.00 C ATOM 0 H VAL A 65 -23.635 15.104 22.419 1.00 0.00 H new ATOM 0 HA VAL A 65 -22.839 12.453 21.571 1.00 0.00 H new ATOM 0 HB VAL A 65 -20.991 12.770 22.793 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -20.130 14.964 21.753 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -21.118 14.020 20.613 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -21.822 15.425 21.449 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -20.358 14.802 24.059 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -22.047 15.353 23.964 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -21.648 13.853 24.835 1.00 0.00 H new ATOM 1038 N ASP A 66 -24.295 11.233 23.230 1.00 0.00 N ATOM 1039 CA ASP A 66 -24.911 10.376 24.239 1.00 0.00 C ATOM 1040 C ASP A 66 -25.944 11.147 25.094 1.00 0.00 C ATOM 1041 O ASP A 66 -26.126 10.859 26.276 1.00 0.00 O ATOM 1042 CB ASP A 66 -23.767 9.714 25.032 1.00 0.00 C ATOM 1043 CG ASP A 66 -24.243 8.635 26.005 1.00 0.00 C ATOM 1044 OD1 ASP A 66 -24.879 7.670 25.531 1.00 0.00 O ATOM 1045 OD2 ASP A 66 -23.955 8.805 27.213 1.00 0.00 O ATOM 0 H ASP A 66 -24.409 10.897 22.274 1.00 0.00 H new ATOM 0 HA ASP A 66 -25.509 9.586 23.786 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -23.058 9.273 24.331 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -23.230 10.482 25.588 1.00 0.00 H new ATOM 1050 N GLY A 67 -26.591 12.171 24.508 1.00 0.00 N ATOM 1051 CA GLY A 67 -27.597 12.999 25.174 1.00 0.00 C ATOM 1052 C GLY A 67 -27.087 14.370 25.637 1.00 0.00 C ATOM 1053 O GLY A 67 -27.885 15.157 26.141 1.00 0.00 O ATOM 0 H GLY A 67 -26.422 12.446 23.541 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -28.435 13.148 24.493 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -27.981 12.457 26.038 1.00 0.00 H new ATOM 1057 N LYS A 68 -25.791 14.674 25.472 1.00 0.00 N ATOM 1058 CA LYS A 68 -25.176 15.937 25.880 1.00 0.00 C ATOM 1059 C LYS A 68 -24.981 16.816 24.659 1.00 0.00 C ATOM 1060 O LYS A 68 -24.348 16.392 23.706 1.00 0.00 O ATOM 1061 CB LYS A 68 -23.833 15.650 26.555 1.00 0.00 C ATOM 1062 CG LYS A 68 -24.045 15.133 27.981 1.00 0.00 C ATOM 1063 CD LYS A 68 -23.275 13.853 28.343 1.00 0.00 C ATOM 1064 CE LYS A 68 -24.034 12.603 27.875 1.00 0.00 C ATOM 1065 NZ LYS A 68 -23.327 11.355 28.219 1.00 0.00 N ATOM 0 H LYS A 68 -25.129 14.030 25.040 1.00 0.00 H new ATOM 0 HA LYS A 68 -25.821 16.457 26.588 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -23.278 14.913 25.974 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -23.230 16.558 26.578 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -23.758 15.919 28.680 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -25.109 14.949 28.128 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -22.287 13.876 27.883 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -23.124 13.808 29.421 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -25.025 12.592 28.328 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -24.177 12.651 26.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -23.753 10.560 27.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -22.324 11.441 27.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -23.405 11.182 29.242 1.00 0.00 H new ATOM 1079 N GLU A 69 -25.541 18.023 24.675 1.00 0.00 N ATOM 1080 CA GLU A 69 -25.762 18.833 23.485 1.00 0.00 C ATOM 1081 C GLU A 69 -24.639 19.861 23.301 1.00 0.00 C ATOM 1082 O GLU A 69 -24.524 20.788 24.105 1.00 0.00 O ATOM 1083 CB GLU A 69 -27.142 19.491 23.612 1.00 0.00 C ATOM 1084 CG GLU A 69 -28.243 18.470 23.937 1.00 0.00 C ATOM 1085 CD GLU A 69 -29.618 18.988 23.517 1.00 0.00 C ATOM 1086 OE1 GLU A 69 -29.946 18.821 22.320 1.00 0.00 O ATOM 1087 OE2 GLU A 69 -30.309 19.559 24.388 1.00 0.00 O ATOM 0 H GLU A 69 -25.859 18.472 25.534 1.00 0.00 H new ATOM 0 HA GLU A 69 -25.744 18.210 22.591 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -27.110 20.250 24.394 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -27.386 20.002 22.681 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -28.034 17.530 23.426 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -28.242 18.258 25.006 1.00 0.00 H new ATOM 1094 N ILE A 70 -23.792 19.686 22.271 1.00 0.00 N ATOM 1095 CA ILE A 70 -22.586 20.505 22.070 1.00 0.00 C ATOM 1096 C ILE A 70 -22.767 21.336 20.800 1.00 0.00 C ATOM 1097 O ILE A 70 -23.071 20.804 19.743 1.00 0.00 O ATOM 1098 CB ILE A 70 -21.297 19.640 21.996 1.00 0.00 C ATOM 1099 CG1 ILE A 70 -20.824 19.038 23.336 1.00 0.00 C ATOM 1100 CG2 ILE A 70 -20.093 20.472 21.534 1.00 0.00 C ATOM 1101 CD1 ILE A 70 -21.770 18.010 23.919 1.00 0.00 C ATOM 0 H ILE A 70 -23.926 18.972 21.555 1.00 0.00 H new ATOM 0 HA ILE A 70 -22.460 21.164 22.929 1.00 0.00 H new ATOM 0 HB ILE A 70 -21.590 18.847 21.308 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -19.848 18.576 23.190 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -20.691 19.844 24.057 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -19.207 19.838 21.493 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -20.292 20.882 20.544 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -19.923 21.288 22.237 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -21.366 17.636 24.859 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -22.741 18.470 24.099 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -21.885 17.183 23.219 1.00 0.00 H new ATOM 1113 N LYS A 71 -22.486 22.635 20.872 1.00 0.00 N ATOM 1114 CA LYS A 71 -22.477 23.541 19.739 1.00 0.00 C ATOM 1115 C LYS A 71 -21.111 23.559 19.075 1.00 0.00 C ATOM 1116 O LYS A 71 -20.095 23.735 19.746 1.00 0.00 O ATOM 1117 CB LYS A 71 -22.945 24.925 20.216 1.00 0.00 C ATOM 1118 CG LYS A 71 -24.457 24.993 20.485 1.00 0.00 C ATOM 1119 CD LYS A 71 -25.288 24.343 19.371 1.00 0.00 C ATOM 1120 CE LYS A 71 -26.516 25.132 18.967 1.00 0.00 C ATOM 1121 NZ LYS A 71 -27.661 24.882 19.860 1.00 0.00 N ATOM 0 H LYS A 71 -22.251 23.095 21.752 1.00 0.00 H new ATOM 0 HA LYS A 71 -23.170 23.202 18.969 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -22.408 25.189 21.127 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -22.682 25.669 19.464 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -24.676 24.498 21.431 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -24.756 26.036 20.594 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -24.655 24.205 18.495 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -25.599 23.351 19.698 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -26.279 26.196 18.973 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -26.792 24.872 17.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -28.432 25.541 19.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -27.992 23.904 19.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -27.369 25.025 20.848 1.00 0.00 H new ATOM 1135 N VAL A 72 -21.119 23.373 17.745 1.00 0.00 N ATOM 1136 CA VAL A 72 -19.957 23.357 16.859 1.00 0.00 C ATOM 1137 C VAL A 72 -20.347 23.760 15.428 1.00 0.00 C ATOM 1138 O VAL A 72 -21.510 23.623 15.053 1.00 0.00 O ATOM 1139 CB VAL A 72 -19.330 21.961 16.859 1.00 0.00 C ATOM 1140 CG1 VAL A 72 -18.905 21.465 18.216 1.00 0.00 C ATOM 1141 CG2 VAL A 72 -20.290 20.935 16.264 1.00 0.00 C ATOM 0 H VAL A 72 -21.990 23.222 17.236 1.00 0.00 H new ATOM 0 HA VAL A 72 -19.232 24.082 17.228 1.00 0.00 H new ATOM 0 HB VAL A 72 -18.431 22.067 16.252 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -18.472 20.469 18.120 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -18.163 22.144 18.636 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -19.772 21.422 18.875 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -19.823 19.950 16.275 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -21.206 20.908 16.855 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -20.528 21.212 15.237 1.00 0.00 H new ATOM 1151 N LYS A 73 -19.380 24.183 14.599 1.00 0.00 N ATOM 1152 CA LYS A 73 -19.605 24.533 13.191 1.00 0.00 C ATOM 1153 C LYS A 73 -18.555 23.854 12.331 1.00 0.00 C ATOM 1154 O LYS A 73 -17.372 23.926 12.655 1.00 0.00 O ATOM 1155 CB LYS A 73 -19.499 26.045 12.952 1.00 0.00 C ATOM 1156 CG LYS A 73 -20.411 26.892 13.842 1.00 0.00 C ATOM 1157 CD LYS A 73 -19.602 27.822 14.740 1.00 0.00 C ATOM 1158 CE LYS A 73 -18.950 28.954 13.936 1.00 0.00 C ATOM 1159 NZ LYS A 73 -18.064 29.784 14.775 1.00 0.00 N ATOM 0 H LYS A 73 -18.409 24.292 14.893 1.00 0.00 H new ATOM 0 HA LYS A 73 -20.611 24.203 12.931 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -18.466 26.354 13.113 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -19.735 26.253 11.908 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -21.086 27.480 13.220 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -21.031 26.239 14.456 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -20.252 28.246 15.506 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -18.831 27.251 15.257 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -18.377 28.530 13.111 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -19.726 29.581 13.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -17.643 30.538 14.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -18.615 30.209 15.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -17.309 29.191 15.174 1.00 0.00 H new ATOM 1173 N ALA A 74 -18.977 23.218 11.237 1.00 0.00 N ATOM 1174 CA ALA A 74 -18.071 22.500 10.356 1.00 0.00 C ATOM 1175 C ALA A 74 -17.038 23.438 9.735 1.00 0.00 C ATOM 1176 O ALA A 74 -17.413 24.499 9.235 1.00 0.00 O ATOM 1177 CB ALA A 74 -18.876 21.796 9.275 1.00 0.00 C ATOM 0 H ALA A 74 -19.953 23.189 10.943 1.00 0.00 H new ATOM 0 HA ALA A 74 -17.525 21.761 10.942 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -18.200 21.256 8.612 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -19.569 21.093 9.737 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -19.436 22.533 8.700 1.00 0.00 H new ATOM 1183 N GLN A 75 -15.762 23.022 9.741 1.00 0.00 N ATOM 1184 CA GLN A 75 -14.682 23.766 9.092 1.00 0.00 C ATOM 1185 C GLN A 75 -14.091 23.005 7.900 1.00 0.00 C ATOM 1186 O GLN A 75 -13.670 23.642 6.937 1.00 0.00 O ATOM 1187 CB GLN A 75 -13.585 24.145 10.100 1.00 0.00 C ATOM 1188 CG GLN A 75 -13.875 25.490 10.780 1.00 0.00 C ATOM 1189 CD GLN A 75 -13.675 26.689 9.857 1.00 0.00 C ATOM 1190 OE1 GLN A 75 -14.623 27.397 9.533 1.00 0.00 O ATOM 1191 NE2 GLN A 75 -12.430 26.943 9.465 1.00 0.00 N ATOM 0 H GLN A 75 -15.455 22.162 10.196 1.00 0.00 H new ATOM 0 HA GLN A 75 -15.120 24.685 8.702 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -13.502 23.365 10.857 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -12.624 24.196 9.589 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -14.901 25.490 11.147 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -13.226 25.597 11.649 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -11.669 26.330 9.756 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -12.236 27.751 8.873 1.00 0.00 H new ATOM 1200 N ASP A 76 -14.078 21.667 7.942 1.00 0.00 N ATOM 1201 CA ASP A 76 -13.517 20.806 6.918 1.00 0.00 C ATOM 1202 C ASP A 76 -14.221 19.460 7.016 1.00 0.00 C ATOM 1203 O ASP A 76 -14.058 18.700 7.971 1.00 0.00 O ATOM 1204 CB ASP A 76 -11.992 20.675 7.067 1.00 0.00 C ATOM 1205 CG ASP A 76 -11.423 19.539 6.208 1.00 0.00 C ATOM 1206 OD1 ASP A 76 -11.612 19.613 4.973 1.00 0.00 O ATOM 1207 OD2 ASP A 76 -10.820 18.611 6.794 1.00 0.00 O ATOM 0 H ASP A 76 -14.475 21.144 8.723 1.00 0.00 H new ATOM 0 HA ASP A 76 -13.679 21.235 5.929 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -11.519 21.615 6.784 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -11.745 20.496 8.113 1.00 0.00 H new ATOM 1212 N VAL A 77 -15.046 19.198 6.008 1.00 0.00 N ATOM 1213 CA VAL A 77 -15.578 17.889 5.690 1.00 0.00 C ATOM 1214 C VAL A 77 -14.682 17.309 4.582 1.00 0.00 C ATOM 1215 O VAL A 77 -14.193 18.031 3.713 1.00 0.00 O ATOM 1216 CB VAL A 77 -17.062 18.011 5.276 1.00 0.00 C ATOM 1217 CG1 VAL A 77 -17.969 18.576 6.388 1.00 0.00 C ATOM 1218 CG2 VAL A 77 -17.240 18.919 4.068 1.00 0.00 C ATOM 0 H VAL A 77 -15.372 19.923 5.369 1.00 0.00 H new ATOM 0 HA VAL A 77 -15.566 17.214 6.546 1.00 0.00 H new ATOM 0 HB VAL A 77 -17.358 16.986 5.050 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -18.996 18.633 6.026 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -17.927 17.922 7.259 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -17.626 19.573 6.666 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -18.297 18.978 3.810 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -16.868 19.916 4.304 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -16.682 18.515 3.223 1.00 0.00 H new ATOM 1228 N GLN A 78 -14.497 15.991 4.605 1.00 0.00 N ATOM 1229 CA GLN A 78 -13.629 15.240 3.706 1.00 0.00 C ATOM 1230 C GLN A 78 -14.494 14.161 3.065 1.00 0.00 C ATOM 1231 O GLN A 78 -15.049 13.316 3.766 1.00 0.00 O ATOM 1232 CB GLN A 78 -12.408 14.655 4.449 1.00 0.00 C ATOM 1233 CG GLN A 78 -11.488 15.737 5.047 1.00 0.00 C ATOM 1234 CD GLN A 78 -10.146 15.174 5.536 1.00 0.00 C ATOM 1235 OE1 GLN A 78 -10.146 14.422 6.634 1.00 0.00 O flip ATOM 1236 NE2 GLN A 78 -9.103 15.399 4.927 1.00 0.00 N flip ATOM 0 H GLN A 78 -14.970 15.392 5.282 1.00 0.00 H new ATOM 0 HA GLN A 78 -13.207 15.888 2.938 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -12.756 14.000 5.248 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -11.832 14.038 3.759 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -11.302 16.505 4.296 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -11.998 16.222 5.879 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -9.118 15.977 4.087 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -8.222 15.008 5.262 1.00 0.00 H new ATOM 1245 N ARG A 79 -14.671 14.244 1.742 1.00 0.00 N ATOM 1246 CA ARG A 79 -15.558 13.372 0.976 1.00 0.00 C ATOM 1247 C ARG A 79 -14.901 12.014 0.691 1.00 0.00 C ATOM 1248 O ARG A 79 -13.684 11.873 0.812 1.00 0.00 O ATOM 1249 CB ARG A 79 -15.937 14.068 -0.346 1.00 0.00 C ATOM 1250 CG ARG A 79 -16.801 15.327 -0.159 1.00 0.00 C ATOM 1251 CD ARG A 79 -18.242 14.982 0.248 1.00 0.00 C ATOM 1252 NE ARG A 79 -19.079 16.179 0.422 1.00 0.00 N ATOM 1253 CZ ARG A 79 -19.610 16.944 -0.547 1.00 0.00 C ATOM 1254 NH1 ARG A 79 -19.329 16.734 -1.839 1.00 0.00 N ATOM 1255 NH2 ARG A 79 -20.441 17.933 -0.208 1.00 0.00 N ATOM 0 H ARG A 79 -14.190 14.934 1.165 1.00 0.00 H new ATOM 0 HA ARG A 79 -16.455 13.186 1.566 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -15.025 14.340 -0.877 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -16.474 13.360 -0.977 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -16.352 15.965 0.603 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -16.814 15.899 -1.087 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -18.687 14.339 -0.511 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -18.228 14.414 1.178 1.00 0.00 H new ATOM 0 HE ARG A 79 -19.278 16.459 1.382 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -18.698 15.979 -2.108 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -19.746 17.329 -2.555 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -20.664 18.098 0.774 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -20.853 18.523 -0.931 1.00 0.00 H new ATOM 1269 N HIS A 80 -15.698 11.027 0.253 1.00 0.00 N ATOM 1270 CA HIS A 80 -15.189 9.819 -0.380 1.00 0.00 C ATOM 1271 C HIS A 80 -14.498 10.151 -1.717 1.00 0.00 C ATOM 1272 O HIS A 80 -14.753 11.206 -2.302 1.00 0.00 O ATOM 1273 CB HIS A 80 -16.350 8.845 -0.606 1.00 0.00 C ATOM 1274 CG HIS A 80 -16.345 7.649 0.313 1.00 0.00 C ATOM 1275 ND1 HIS A 80 -16.363 7.665 1.691 1.00 0.00 N ATOM 1276 CD2 HIS A 80 -16.393 6.341 -0.088 1.00 0.00 C ATOM 1277 CE1 HIS A 80 -16.412 6.387 2.104 1.00 0.00 C ATOM 1278 NE2 HIS A 80 -16.449 5.544 1.057 1.00 0.00 N ATOM 0 H HIS A 80 -16.715 11.052 0.332 1.00 0.00 H new ATOM 0 HA HIS A 80 -14.448 9.358 0.273 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -17.290 9.382 -0.479 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -16.320 8.496 -1.638 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -16.388 5.988 -1.109 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -16.421 6.078 3.139 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -16.506 4.526 1.092 1.00 0.00 H new ATOM 1286 N PRO A 81 -13.652 9.238 -2.230 1.00 0.00 N ATOM 1287 CA PRO A 81 -12.832 9.478 -3.412 1.00 0.00 C ATOM 1288 C PRO A 81 -13.592 9.276 -4.733 1.00 0.00 C ATOM 1289 O PRO A 81 -13.220 9.885 -5.734 1.00 0.00 O ATOM 1290 CB PRO A 81 -11.677 8.479 -3.282 1.00 0.00 C ATOM 1291 CG PRO A 81 -12.314 7.291 -2.559 1.00 0.00 C ATOM 1292 CD PRO A 81 -13.343 7.947 -1.638 1.00 0.00 C ATOM 0 HA PRO A 81 -12.500 10.516 -3.451 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -11.283 8.192 -4.257 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -10.847 8.897 -2.713 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -12.784 6.600 -3.259 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -11.576 6.721 -1.995 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -14.239 7.332 -1.555 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -12.944 8.066 -0.631 1.00 0.00 H new ATOM 1300 N TYR A 82 -14.641 8.438 -4.740 1.00 0.00 N ATOM 1301 CA TYR A 82 -15.423 8.090 -5.929 1.00 0.00 C ATOM 1302 C TYR A 82 -16.930 8.008 -5.658 1.00 0.00 C ATOM 1303 O TYR A 82 -17.704 7.861 -6.604 1.00 0.00 O ATOM 1304 CB TYR A 82 -14.902 6.766 -6.514 1.00 0.00 C ATOM 1305 CG TYR A 82 -13.569 6.894 -7.227 1.00 0.00 C ATOM 1306 CD1 TYR A 82 -13.530 7.428 -8.529 1.00 0.00 C ATOM 1307 CD2 TYR A 82 -12.375 6.487 -6.599 1.00 0.00 C ATOM 1308 CE1 TYR A 82 -12.305 7.560 -9.205 1.00 0.00 C ATOM 1309 CE2 TYR A 82 -11.144 6.620 -7.265 1.00 0.00 C ATOM 1310 CZ TYR A 82 -11.105 7.162 -8.572 1.00 0.00 C ATOM 1311 OH TYR A 82 -9.917 7.298 -9.229 1.00 0.00 O ATOM 0 H TYR A 82 -14.974 7.974 -3.895 1.00 0.00 H new ATOM 0 HA TYR A 82 -15.292 8.895 -6.652 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -14.804 6.037 -5.709 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -15.641 6.373 -7.212 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -14.446 7.738 -9.011 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -12.406 6.071 -5.603 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -12.280 7.965 -10.206 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -10.230 6.309 -6.780 1.00 0.00 H new ATOM 0 HH TYR A 82 -9.188 6.980 -8.656 1.00 0.00 H new ATOM 1321 N LYS A 83 -17.361 8.116 -4.394 1.00 0.00 N ATOM 1322 CA LYS A 83 -18.764 8.090 -3.987 1.00 0.00 C ATOM 1323 C LYS A 83 -19.141 9.457 -3.401 1.00 0.00 C ATOM 1324 O LYS A 83 -18.264 10.139 -2.867 1.00 0.00 O ATOM 1325 CB LYS A 83 -19.002 6.978 -2.946 1.00 0.00 C ATOM 1326 CG LYS A 83 -18.482 5.581 -3.331 1.00 0.00 C ATOM 1327 CD LYS A 83 -18.911 5.075 -4.715 1.00 0.00 C ATOM 1328 CE LYS A 83 -20.432 5.069 -4.899 1.00 0.00 C ATOM 1329 NZ LYS A 83 -20.808 4.649 -6.262 1.00 0.00 N ATOM 0 H LYS A 83 -16.721 8.227 -3.607 1.00 0.00 H new ATOM 0 HA LYS A 83 -19.389 7.881 -4.855 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -18.531 7.276 -2.009 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -20.073 6.907 -2.755 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -17.393 5.594 -3.290 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -18.821 4.867 -2.581 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -18.459 5.703 -5.483 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -18.528 4.065 -4.863 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -20.885 4.396 -4.171 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -20.828 6.065 -4.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -21.844 4.656 -6.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -20.395 5.306 -6.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -20.451 3.689 -6.440 1.00 0.00 H new ATOM 1343 N PRO A 84 -20.432 9.844 -3.416 1.00 0.00 N ATOM 1344 CA PRO A 84 -20.933 11.037 -2.737 1.00 0.00 C ATOM 1345 C PRO A 84 -21.077 10.767 -1.225 1.00 0.00 C ATOM 1346 O PRO A 84 -22.162 10.896 -0.660 1.00 0.00 O ATOM 1347 CB PRO A 84 -22.260 11.345 -3.443 1.00 0.00 C ATOM 1348 CG PRO A 84 -22.792 9.954 -3.781 1.00 0.00 C ATOM 1349 CD PRO A 84 -21.517 9.189 -4.138 1.00 0.00 C ATOM 0 HA PRO A 84 -20.265 11.896 -2.797 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -22.945 11.894 -2.796 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -22.112 11.950 -4.337 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -23.313 9.503 -2.937 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -23.496 9.980 -4.613 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -21.599 8.141 -3.850 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -21.338 9.211 -5.213 1.00 0.00 H new ATOM 1357 N LYS A 85 -19.978 10.361 -0.573 1.00 0.00 N ATOM 1358 CA LYS A 85 -19.925 9.999 0.839 1.00 0.00 C ATOM 1359 C LYS A 85 -18.858 10.827 1.549 1.00 0.00 C ATOM 1360 O LYS A 85 -18.346 11.789 0.980 1.00 0.00 O ATOM 1361 CB LYS A 85 -19.709 8.482 0.966 1.00 0.00 C ATOM 1362 CG LYS A 85 -20.940 7.707 0.502 1.00 0.00 C ATOM 1363 CD LYS A 85 -20.987 6.303 1.120 1.00 0.00 C ATOM 1364 CE LYS A 85 -19.766 5.474 0.703 1.00 0.00 C ATOM 1365 NZ LYS A 85 -19.638 4.230 1.486 1.00 0.00 N ATOM 0 H LYS A 85 -19.073 10.275 -1.036 1.00 0.00 H new ATOM 0 HA LYS A 85 -20.869 10.229 1.333 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -18.844 8.184 0.373 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -19.487 8.229 2.003 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -21.841 8.256 0.775 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -20.932 7.627 -0.585 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -21.023 6.382 2.207 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -21.899 5.795 0.807 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -19.842 5.228 -0.356 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -18.864 6.073 0.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -18.799 3.704 1.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -19.539 4.463 2.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -20.486 3.644 1.348 1.00 0.00 H new ATOM 1379 N LEU A 86 -18.559 10.478 2.803 1.00 0.00 N ATOM 1380 CA LEU A 86 -17.653 11.183 3.698 1.00 0.00 C ATOM 1381 C LEU A 86 -16.660 10.168 4.264 1.00 0.00 C ATOM 1382 O LEU A 86 -17.017 9.018 4.520 1.00 0.00 O ATOM 1383 CB LEU A 86 -18.450 11.859 4.834 1.00 0.00 C ATOM 1384 CG LEU A 86 -19.511 12.874 4.347 1.00 0.00 C ATOM 1385 CD1 LEU A 86 -20.698 12.949 5.318 1.00 0.00 C ATOM 1386 CD2 LEU A 86 -18.941 14.272 4.100 1.00 0.00 C ATOM 0 H LEU A 86 -18.967 9.651 3.239 1.00 0.00 H new ATOM 0 HA LEU A 86 -17.116 11.963 3.158 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -18.945 11.088 5.424 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -17.753 12.370 5.498 1.00 0.00 H new ATOM 0 HG LEU A 86 -19.860 12.499 3.385 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -21.426 13.671 4.948 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -21.167 11.968 5.396 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -20.345 13.261 6.301 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -19.737 14.935 3.760 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -18.516 14.660 5.025 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -18.164 14.219 3.338 1.00 0.00 H new ATOM 1398 N GLN A 87 -15.417 10.613 4.456 1.00 0.00 N ATOM 1399 CA GLN A 87 -14.353 9.907 5.154 1.00 0.00 C ATOM 1400 C GLN A 87 -14.231 10.420 6.591 1.00 0.00 C ATOM 1401 O GLN A 87 -13.870 9.645 7.474 1.00 0.00 O ATOM 1402 CB GLN A 87 -13.022 10.154 4.421 1.00 0.00 C ATOM 1403 CG GLN A 87 -12.945 9.486 3.041 1.00 0.00 C ATOM 1404 CD GLN A 87 -12.719 7.978 3.139 1.00 0.00 C ATOM 1405 OE1 GLN A 87 -13.662 7.214 3.318 1.00 0.00 O ATOM 1406 NE2 GLN A 87 -11.470 7.532 3.015 1.00 0.00 N ATOM 0 H GLN A 87 -15.115 11.523 4.109 1.00 0.00 H new ATOM 0 HA GLN A 87 -14.584 8.842 5.172 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -12.876 11.228 4.304 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -12.203 9.786 5.039 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -13.868 9.678 2.495 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -12.135 9.936 2.467 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -10.706 8.191 2.867 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -11.278 6.532 3.068 1.00 0.00 H new ATOM 1415 N HIS A 88 -14.516 11.713 6.821 1.00 0.00 N ATOM 1416 CA HIS A 88 -14.300 12.412 8.083 1.00 0.00 C ATOM 1417 C HIS A 88 -14.828 13.824 7.963 1.00 0.00 C ATOM 1418 O HIS A 88 -14.970 14.362 6.865 1.00 0.00 O ATOM 1419 CB HIS A 88 -12.813 12.480 8.448 1.00 0.00 C ATOM 1420 CG HIS A 88 -12.536 13.190 9.754 1.00 0.00 C ATOM 1421 ND1 HIS A 88 -11.951 14.428 9.922 1.00 0.00 N ATOM 1422 CD2 HIS A 88 -12.811 12.693 10.999 1.00 0.00 C ATOM 1423 CE1 HIS A 88 -11.845 14.634 11.248 1.00 0.00 C ATOM 1424 NE2 HIS A 88 -12.360 13.611 11.944 1.00 0.00 N ATOM 0 H HIS A 88 -14.917 12.315 6.102 1.00 0.00 H new ATOM 0 HA HIS A 88 -14.823 11.860 8.864 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -12.416 11.466 8.505 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -12.275 12.988 7.648 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -13.295 11.751 11.212 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -11.401 15.512 11.694 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -12.411 13.523 12.959 1.00 0.00 H new ATOM 1432 N ILE A 89 -15.117 14.408 9.124 1.00 0.00 N ATOM 1433 CA ILE A 89 -15.609 15.752 9.284 1.00 0.00 C ATOM 1434 C ILE A 89 -15.017 16.281 10.584 1.00 0.00 C ATOM 1435 O ILE A 89 -14.841 15.536 11.544 1.00 0.00 O ATOM 1436 CB ILE A 89 -17.153 15.728 9.312 1.00 0.00 C ATOM 1437 CG1 ILE A 89 -17.711 15.136 8.000 1.00 0.00 C ATOM 1438 CG2 ILE A 89 -17.688 17.143 9.559 1.00 0.00 C ATOM 1439 CD1 ILE A 89 -19.214 14.966 8.002 1.00 0.00 C ATOM 0 H ILE A 89 -15.005 13.924 10.015 1.00 0.00 H new ATOM 0 HA ILE A 89 -15.317 16.404 8.460 1.00 0.00 H new ATOM 0 HB ILE A 89 -17.487 15.087 10.128 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -17.428 15.784 7.170 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -17.245 14.167 7.821 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -18.778 17.122 9.578 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -17.315 17.511 10.515 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -17.352 17.804 8.760 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -19.534 14.546 7.049 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -19.503 14.294 8.810 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -19.690 15.936 8.149 1.00 0.00 H new ATOM 1451 N ASP A 90 -14.783 17.587 10.634 1.00 0.00 N ATOM 1452 CA ASP A 90 -14.540 18.295 11.878 1.00 0.00 C ATOM 1453 C ASP A 90 -15.614 19.355 12.065 1.00 0.00 C ATOM 1454 O ASP A 90 -16.213 19.838 11.099 1.00 0.00 O ATOM 1455 CB ASP A 90 -13.117 18.867 11.935 1.00 0.00 C ATOM 1456 CG ASP A 90 -12.752 19.911 10.888 1.00 0.00 C ATOM 1457 OD1 ASP A 90 -13.557 20.836 10.648 1.00 0.00 O ATOM 1458 OD2 ASP A 90 -11.605 19.805 10.403 1.00 0.00 O ATOM 0 H ASP A 90 -14.757 18.184 9.807 1.00 0.00 H new ATOM 0 HA ASP A 90 -14.604 17.597 12.713 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -12.968 19.308 12.920 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -12.414 18.038 11.847 1.00 0.00 H new ATOM 1463 N PHE A 91 -15.825 19.737 13.324 1.00 0.00 N ATOM 1464 CA PHE A 91 -16.557 20.906 13.708 1.00 0.00 C ATOM 1465 C PHE A 91 -15.631 21.685 14.642 1.00 0.00 C ATOM 1466 O PHE A 91 -14.741 21.087 15.252 1.00 0.00 O ATOM 1467 CB PHE A 91 -17.841 20.449 14.398 1.00 0.00 C ATOM 1468 CG PHE A 91 -18.575 19.227 13.861 1.00 0.00 C ATOM 1469 CD1 PHE A 91 -19.541 19.377 12.850 1.00 0.00 C ATOM 1470 CD2 PHE A 91 -18.382 17.961 14.447 1.00 0.00 C ATOM 1471 CE1 PHE A 91 -20.321 18.277 12.455 1.00 0.00 C ATOM 1472 CE2 PHE A 91 -19.143 16.855 14.031 1.00 0.00 C ATOM 1473 CZ PHE A 91 -20.122 17.014 13.038 1.00 0.00 C ATOM 0 H PHE A 91 -15.470 19.209 14.122 1.00 0.00 H new ATOM 0 HA PHE A 91 -16.848 21.543 12.873 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -17.601 20.255 15.444 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -18.539 21.286 14.381 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -19.683 20.338 12.377 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -17.642 17.839 15.224 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -21.080 18.403 11.697 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -18.975 15.885 14.475 1.00 0.00 H new ATOM 0 HZ PHE A 91 -20.719 16.171 12.724 1.00 0.00 H new ATOM 1483 N VAL A 92 -15.836 22.999 14.787 1.00 0.00 N ATOM 1484 CA VAL A 92 -15.034 23.792 15.717 1.00 0.00 C ATOM 1485 C VAL A 92 -15.939 24.413 16.763 1.00 0.00 C ATOM 1486 O VAL A 92 -17.080 24.763 16.461 1.00 0.00 O ATOM 1487 CB VAL A 92 -14.092 24.784 15.008 1.00 0.00 C ATOM 1488 CG1 VAL A 92 -13.387 24.077 13.850 1.00 0.00 C ATOM 1489 CG2 VAL A 92 -14.776 26.056 14.497 1.00 0.00 C ATOM 0 H VAL A 92 -16.543 23.528 14.277 1.00 0.00 H new ATOM 0 HA VAL A 92 -14.344 23.132 16.242 1.00 0.00 H new ATOM 0 HB VAL A 92 -13.378 25.114 15.763 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -12.720 24.778 13.348 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -12.808 23.237 14.235 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -14.130 23.711 13.141 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -14.039 26.696 14.012 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -15.552 25.789 13.780 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -15.225 26.590 15.335 1.00 0.00 H new ATOM 1499 N ARG A 93 -15.417 24.487 17.993 1.00 0.00 N ATOM 1500 CA ARG A 93 -16.142 24.739 19.223 1.00 0.00 C ATOM 1501 C ARG A 93 -16.940 26.038 19.183 1.00 0.00 C ATOM 1502 O ARG A 93 -16.421 27.118 19.465 1.00 0.00 O ATOM 1503 CB ARG A 93 -15.167 24.679 20.414 1.00 0.00 C ATOM 1504 CG ARG A 93 -15.146 23.294 21.083 1.00 0.00 C ATOM 1505 CD ARG A 93 -16.516 22.819 21.617 1.00 0.00 C ATOM 1506 NE ARG A 93 -17.322 23.883 22.209 1.00 0.00 N ATOM 1507 CZ ARG A 93 -17.098 24.558 23.346 1.00 0.00 C ATOM 1508 NH1 ARG A 93 -16.122 24.195 24.187 1.00 0.00 N ATOM 1509 NH2 ARG A 93 -17.867 25.612 23.623 1.00 0.00 N ATOM 0 H ARG A 93 -14.418 24.364 18.155 1.00 0.00 H new ATOM 0 HA ARG A 93 -16.890 23.956 19.347 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -14.163 24.930 20.072 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -15.450 25.431 21.150 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -14.777 22.563 20.364 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -14.435 23.314 21.909 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -17.076 22.365 20.799 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -16.354 22.041 22.363 1.00 0.00 H new ATOM 0 HE ARG A 93 -18.161 24.146 21.693 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -15.533 23.392 23.968 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -15.968 24.722 25.047 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -18.606 25.888 22.976 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -17.716 26.142 24.482 1.00 0.00 H new ATOM 1523 N ALA A 94 -18.223 25.890 18.845 1.00 0.00 N ATOM 1524 CA ALA A 94 -19.229 26.932 19.013 1.00 0.00 C ATOM 1525 C ALA A 94 -19.823 26.927 20.435 1.00 0.00 C ATOM 1526 O ALA A 94 -19.282 26.212 21.312 1.00 0.00 O ATOM 1527 CB ALA A 94 -20.318 26.731 17.962 1.00 0.00 C ATOM 1528 OXT ALA A 94 -20.832 27.640 20.626 1.00 0.00 O ATOM 0 H ALA A 94 -18.594 25.030 18.442 1.00 0.00 H new ATOM 0 HA ALA A 94 -18.760 27.906 18.876 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -21.079 27.503 18.074 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -19.879 26.796 16.966 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -20.774 25.750 18.094 1.00 0.00 H new