USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 575 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 18 CYS SG : rot 26:sc= 0.208 USER MOD Set 1.2: A 55 HIS : no HD1:sc= 0.0371 K(o=0.91,f=0.35) USER MOD Set 1.3: A 91 TYR OH : rot 180:sc= -0.0656 USER MOD Set 1.4: A 93 CYS SG : rot 117:sc= 0.217 USER MOD Set 1.5: A 95 CYS SG : rot -136:sc= 0.513! USER MOD Set 2.1: A 11 GLN : amide:sc= -0.732 X(o=-0.5,f=-0.33) USER MOD Set 2.2: A 14 LYS NZ :NH3+ -170:sc= 0.23 (180deg=0.0176) USER MOD Single : A 7 HIS :FLIP no HD1:sc= 0 F(o=-0.66,f=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -2.17 X(o=-2.2,f=-2.3!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0.458 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -85:sc= 0.974 USER MOD Single : A 57 ASN : amide:sc= 0.765 K(o=0.76,f=0) USER MOD Single : A 61 TYR OH : rot 180:sc= -1.04 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 120:sc= -0.836 USER MOD Single : A 66 LYS NZ :NH3+ 167:sc= -0.0252 (180deg=-0.189) USER MOD Single : A 69 ASN :FLIP amide:sc= -0.0861 F(o=-0.96!,f=-0.086) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 MET CE :methyl -169:sc= 0 (180deg=-0.174) USER MOD Single : A 75 LYS NZ :NH3+ -177:sc= 0.144 (180deg=-0.0175) USER MOD Single : A 76 GLN : amide:sc= -0.144 K(o=-0.14,f=-0.74) USER MOD Single : A 80 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00479) USER MOD Single : A 85 LYS NZ :NH3+ -168:sc= 1.28 (180deg=1.16) USER MOD Single : A 86 SER OG : rot -42:sc= 1.15 USER MOD Single : A 87 ASN : amide:sc= -0.148 K(o=-0.15,f=-3.5!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= 0.171 X(o=0.17,f=0) USER MOD ----------------------------------------------------------------- ATOM 59 N ILE A 5 -4.107 -4.357 0.573 1.00 41.13 N ATOM 60 CA ILE A 5 -5.230 -4.277 1.489 1.00 64.23 C ATOM 61 C ILE A 5 -6.167 -5.480 1.300 1.00 65.41 C ATOM 62 O ILE A 5 -6.750 -5.979 2.264 1.00 73.43 O ATOM 63 CB ILE A 5 -5.998 -2.948 1.299 1.00 12.35 C ATOM 64 CG1 ILE A 5 -6.353 -2.319 2.654 1.00 63.44 C ATOM 65 CG2 ILE A 5 -7.236 -3.153 0.443 1.00 53.05 C ATOM 66 CD1 ILE A 5 -7.141 -3.218 3.579 1.00 22.10 C ATOM 0 HA ILE A 5 -4.844 -4.302 2.508 1.00 64.23 H new ATOM 0 HB ILE A 5 -5.344 -2.252 0.773 1.00 12.35 H new ATOM 0 HG12 ILE A 5 -5.431 -2.023 3.155 1.00 63.44 H new ATOM 0 HG13 ILE A 5 -6.926 -1.409 2.478 1.00 63.44 H new ATOM 0 HG21 ILE A 5 -7.758 -2.203 0.325 1.00 53.05 H new ATOM 0 HG22 ILE A 5 -6.943 -3.530 -0.537 1.00 53.05 H new ATOM 0 HG23 ILE A 5 -7.897 -3.873 0.926 1.00 53.05 H new ATOM 0 HD11 ILE A 5 -7.346 -2.691 4.511 1.00 22.10 H new ATOM 0 HD12 ILE A 5 -8.082 -3.494 3.103 1.00 22.10 H new ATOM 0 HD13 ILE A 5 -6.564 -4.118 3.791 1.00 22.10 H new ATOM 78 N GLU A 6 -6.269 -5.966 0.062 1.00 11.21 N ATOM 79 CA GLU A 6 -7.149 -7.087 -0.247 1.00 41.25 C ATOM 80 C GLU A 6 -6.667 -8.337 0.467 1.00 30.33 C ATOM 81 O GLU A 6 -7.462 -9.170 0.897 1.00 42.22 O ATOM 82 CB GLU A 6 -7.226 -7.348 -1.756 1.00 33.52 C ATOM 83 CG GLU A 6 -7.809 -6.196 -2.562 1.00 14.30 C ATOM 84 CD GLU A 6 -6.868 -5.014 -2.651 1.00 52.52 C ATOM 85 OE1 GLU A 6 -5.635 -5.225 -2.607 1.00 55.32 O ATOM 86 OE2 GLU A 6 -7.345 -3.866 -2.750 1.00 45.10 O ATOM 0 H GLU A 6 -5.754 -5.600 -0.739 1.00 11.21 H new ATOM 0 HA GLU A 6 -8.149 -6.829 0.100 1.00 41.25 H new ATOM 0 HB2 GLU A 6 -6.224 -7.565 -2.127 1.00 33.52 H new ATOM 0 HB3 GLU A 6 -7.830 -8.239 -1.928 1.00 33.52 H new ATOM 0 HG2 GLU A 6 -8.046 -6.544 -3.567 1.00 14.30 H new ATOM 0 HG3 GLU A 6 -8.746 -5.876 -2.106 1.00 14.30 H new ATOM 93 N HIS A 7 -5.354 -8.451 0.607 1.00 62.54 N ATOM 94 CA HIS A 7 -4.765 -9.557 1.334 1.00 31.40 C ATOM 95 C HIS A 7 -5.213 -9.493 2.789 1.00 11.12 C ATOM 96 O HIS A 7 -5.663 -10.486 3.352 1.00 71.24 O ATOM 97 CB HIS A 7 -3.233 -9.496 1.240 1.00 74.41 C ATOM 98 CG HIS A 7 -2.536 -10.777 1.601 1.00 53.44 C ATOM 99 ND1 HIS A 7 -2.989 -11.862 2.276 1.00 70.25 N flip ATOM 100 CD2 HIS A 7 -1.226 -11.059 1.274 1.00 12.44 C flip ATOM 101 CE1 HIS A 7 -1.973 -12.807 2.364 1.00 42.32 C flip ATOM 102 NE2 HIS A 7 -0.935 -12.278 1.746 1.00 33.42 N flip ATOM 0 H HIS A 7 -4.679 -7.788 0.225 1.00 62.54 H new ATOM 0 HA HIS A 7 -5.096 -10.499 0.897 1.00 31.40 H new ATOM 0 HB2 HIS A 7 -2.955 -9.220 0.223 1.00 74.41 H new ATOM 0 HB3 HIS A 7 -2.872 -8.703 1.896 1.00 74.41 H new ATOM 0 HD2 HIS A 7 -0.553 -10.411 0.732 1.00 12.44 H new ATOM 0 HE1 HIS A 7 -2.023 -13.775 2.840 1.00 42.32 H new ATOM 0 HE2 HIS A 7 -0.030 -12.737 1.641 1.00 33.42 H new ATOM 110 N LYS A 8 -5.135 -8.295 3.363 1.00 3.54 N ATOM 111 CA LYS A 8 -5.433 -8.085 4.779 1.00 3.05 C ATOM 112 C LYS A 8 -6.875 -8.450 5.099 1.00 63.12 C ATOM 113 O LYS A 8 -7.140 -9.219 6.023 1.00 3.14 O ATOM 114 CB LYS A 8 -5.215 -6.620 5.177 1.00 5.14 C ATOM 115 CG LYS A 8 -4.011 -5.953 4.536 1.00 61.31 C ATOM 116 CD LYS A 8 -2.720 -6.660 4.884 1.00 23.32 C ATOM 117 CE LYS A 8 -1.525 -5.927 4.300 1.00 21.50 C ATOM 118 NZ LYS A 8 -0.238 -6.564 4.678 1.00 12.44 N ATOM 0 H LYS A 8 -4.865 -7.447 2.864 1.00 3.54 H new ATOM 0 HA LYS A 8 -4.756 -8.729 5.340 1.00 3.05 H new ATOM 0 HB2 LYS A 8 -6.108 -6.052 4.916 1.00 5.14 H new ATOM 0 HB3 LYS A 8 -5.108 -6.566 6.260 1.00 5.14 H new ATOM 0 HG2 LYS A 8 -4.137 -5.940 3.453 1.00 61.31 H new ATOM 0 HG3 LYS A 8 -3.955 -4.915 4.863 1.00 61.31 H new ATOM 0 HD2 LYS A 8 -2.617 -6.726 5.967 1.00 23.32 H new ATOM 0 HD3 LYS A 8 -2.746 -7.681 4.504 1.00 23.32 H new ATOM 0 HE2 LYS A 8 -1.611 -5.902 3.214 1.00 21.50 H new ATOM 0 HE3 LYS A 8 -1.532 -4.893 4.644 1.00 21.50 H new ATOM 0 HZ1 LYS A 8 0.550 -6.031 4.258 1.00 12.44 H new ATOM 0 HZ2 LYS A 8 -0.142 -6.565 5.714 1.00 12.44 H new ATOM 0 HZ3 LYS A 8 -0.219 -7.543 4.328 1.00 12.44 H new ATOM 132 N VAL A 9 -7.804 -7.887 4.337 1.00 32.02 N ATOM 133 CA VAL A 9 -9.222 -8.076 4.604 1.00 70.40 C ATOM 134 C VAL A 9 -9.631 -9.544 4.497 1.00 71.21 C ATOM 135 O VAL A 9 -10.381 -10.041 5.332 1.00 34.51 O ATOM 136 CB VAL A 9 -10.099 -7.198 3.682 1.00 44.21 C ATOM 137 CG1 VAL A 9 -9.740 -7.394 2.221 1.00 34.35 C ATOM 138 CG2 VAL A 9 -11.579 -7.474 3.906 1.00 45.14 C ATOM 0 H VAL A 9 -7.600 -7.297 3.530 1.00 32.02 H new ATOM 0 HA VAL A 9 -9.391 -7.757 5.633 1.00 70.40 H new ATOM 0 HB VAL A 9 -9.900 -6.158 3.942 1.00 44.21 H new ATOM 0 HG11 VAL A 9 -10.376 -6.761 1.602 1.00 34.35 H new ATOM 0 HG12 VAL A 9 -8.696 -7.123 2.063 1.00 34.35 H new ATOM 0 HG13 VAL A 9 -9.890 -8.438 1.947 1.00 34.35 H new ATOM 0 HG21 VAL A 9 -12.171 -6.842 3.244 1.00 45.14 H new ATOM 0 HG22 VAL A 9 -11.790 -8.522 3.692 1.00 45.14 H new ATOM 0 HG23 VAL A 9 -11.837 -7.256 4.942 1.00 45.14 H new ATOM 148 N TYR A 10 -9.114 -10.251 3.502 1.00 31.51 N ATOM 149 CA TYR A 10 -9.450 -11.659 3.341 1.00 31.51 C ATOM 150 C TYR A 10 -8.786 -12.485 4.440 1.00 71.11 C ATOM 151 O TYR A 10 -9.302 -13.527 4.839 1.00 53.22 O ATOM 152 CB TYR A 10 -9.015 -12.191 1.965 1.00 5.20 C ATOM 153 CG TYR A 10 -9.578 -11.432 0.777 1.00 73.32 C ATOM 154 CD1 TYR A 10 -10.660 -10.574 0.912 1.00 30.23 C ATOM 155 CD2 TYR A 10 -9.017 -11.582 -0.486 1.00 30.30 C ATOM 156 CE1 TYR A 10 -11.165 -9.884 -0.174 1.00 53.04 C ATOM 157 CE2 TYR A 10 -9.517 -10.895 -1.576 1.00 30.53 C ATOM 158 CZ TYR A 10 -10.592 -10.048 -1.414 1.00 70.43 C ATOM 159 OH TYR A 10 -11.095 -9.361 -2.497 1.00 52.40 O ATOM 0 H TYR A 10 -8.470 -9.880 2.804 1.00 31.51 H new ATOM 0 HA TYR A 10 -10.534 -11.750 3.414 1.00 31.51 H new ATOM 0 HB2 TYR A 10 -7.927 -12.166 1.910 1.00 5.20 H new ATOM 0 HB3 TYR A 10 -9.315 -13.236 1.885 1.00 5.20 H new ATOM 0 HD1 TYR A 10 -11.116 -10.443 1.882 1.00 30.23 H new ATOM 0 HD2 TYR A 10 -8.176 -12.247 -0.618 1.00 30.30 H new ATOM 0 HE1 TYR A 10 -12.006 -9.218 -0.050 1.00 53.04 H new ATOM 0 HE2 TYR A 10 -9.068 -11.021 -2.550 1.00 30.53 H new ATOM 0 HH TYR A 10 -10.577 -9.588 -3.297 1.00 52.40 H new ATOM 169 N GLN A 11 -7.654 -11.985 4.941 1.00 34.23 N ATOM 170 CA GLN A 11 -6.876 -12.684 5.967 1.00 54.10 C ATOM 171 C GLN A 11 -7.715 -12.961 7.203 1.00 51.13 C ATOM 172 O GLN A 11 -7.846 -14.107 7.634 1.00 61.41 O ATOM 173 CB GLN A 11 -5.632 -11.881 6.369 1.00 50.22 C ATOM 174 CG GLN A 11 -4.426 -12.099 5.469 1.00 55.25 C ATOM 175 CD GLN A 11 -3.955 -13.540 5.451 1.00 42.35 C ATOM 176 OE1 GLN A 11 -3.138 -13.946 6.278 1.00 52.41 O ATOM 177 NE2 GLN A 11 -4.446 -14.318 4.498 1.00 52.02 N ATOM 0 H GLN A 11 -7.254 -11.093 4.651 1.00 34.23 H new ATOM 0 HA GLN A 11 -6.560 -13.632 5.532 1.00 54.10 H new ATOM 0 HB2 GLN A 11 -5.883 -10.820 6.369 1.00 50.22 H new ATOM 0 HB3 GLN A 11 -5.360 -12.144 7.391 1.00 50.22 H new ATOM 0 HG2 GLN A 11 -4.677 -11.791 4.454 1.00 55.25 H new ATOM 0 HG3 GLN A 11 -3.609 -11.459 5.803 1.00 55.25 H new ATOM 0 HE21 GLN A 11 -5.121 -13.944 3.832 1.00 52.02 H new ATOM 0 HE22 GLN A 11 -4.149 -15.291 4.431 1.00 52.02 H new ATOM 186 N LEU A 12 -8.303 -11.910 7.742 1.00 34.02 N ATOM 187 CA LEU A 12 -9.059 -12.007 8.979 1.00 41.22 C ATOM 188 C LEU A 12 -10.492 -12.428 8.712 1.00 22.34 C ATOM 189 O LEU A 12 -11.026 -13.258 9.426 1.00 60.25 O ATOM 190 CB LEU A 12 -8.995 -10.689 9.769 1.00 33.01 C ATOM 191 CG LEU A 12 -8.668 -9.425 8.963 1.00 73.14 C ATOM 192 CD1 LEU A 12 -9.878 -8.940 8.189 1.00 12.04 C ATOM 193 CD2 LEU A 12 -8.155 -8.327 9.880 1.00 61.41 C ATOM 0 H LEU A 12 -8.272 -10.973 7.341 1.00 34.02 H new ATOM 0 HA LEU A 12 -8.601 -12.781 9.594 1.00 41.22 H new ATOM 0 HB2 LEU A 12 -9.955 -10.540 10.263 1.00 33.01 H new ATOM 0 HB3 LEU A 12 -8.246 -10.797 10.554 1.00 33.01 H new ATOM 0 HG LEU A 12 -7.887 -9.678 8.246 1.00 73.14 H new ATOM 0 HD11 LEU A 12 -9.615 -8.043 7.628 1.00 12.04 H new ATOM 0 HD12 LEU A 12 -10.204 -9.718 7.498 1.00 12.04 H new ATOM 0 HD13 LEU A 12 -10.686 -8.710 8.884 1.00 12.04 H new ATOM 0 HD21 LEU A 12 -7.928 -7.438 9.292 1.00 61.41 H new ATOM 0 HD22 LEU A 12 -8.917 -8.087 10.621 1.00 61.41 H new ATOM 0 HD23 LEU A 12 -7.252 -8.668 10.386 1.00 61.41 H new ATOM 205 N LEU A 13 -11.101 -11.879 7.671 1.00 43.01 N ATOM 206 CA LEU A 13 -12.471 -12.207 7.317 1.00 31.20 C ATOM 207 C LEU A 13 -12.715 -13.699 7.199 1.00 42.21 C ATOM 208 O LEU A 13 -13.714 -14.206 7.711 1.00 14.04 O ATOM 209 CB LEU A 13 -12.837 -11.526 6.016 1.00 14.54 C ATOM 210 CG LEU A 13 -13.747 -10.335 6.194 1.00 30.14 C ATOM 211 CD1 LEU A 13 -13.165 -9.373 7.190 1.00 71.12 C ATOM 212 CD2 LEU A 13 -14.019 -9.650 4.879 1.00 3.14 C ATOM 0 H LEU A 13 -10.661 -11.198 7.052 1.00 43.01 H new ATOM 0 HA LEU A 13 -13.103 -11.847 8.129 1.00 31.20 H new ATOM 0 HB2 LEU A 13 -11.924 -11.204 5.515 1.00 14.54 H new ATOM 0 HB3 LEU A 13 -13.322 -12.249 5.361 1.00 14.54 H new ATOM 0 HG LEU A 13 -14.701 -10.695 6.579 1.00 30.14 H new ATOM 0 HD11 LEU A 13 -13.834 -8.520 7.306 1.00 71.12 H new ATOM 0 HD12 LEU A 13 -13.044 -9.873 8.151 1.00 71.12 H new ATOM 0 HD13 LEU A 13 -12.194 -9.027 6.837 1.00 71.12 H new ATOM 0 HD21 LEU A 13 -14.677 -8.797 5.043 1.00 3.14 H new ATOM 0 HD22 LEU A 13 -13.079 -9.306 4.447 1.00 3.14 H new ATOM 0 HD23 LEU A 13 -14.497 -10.351 4.195 1.00 3.14 H new ATOM 224 N LYS A 14 -11.819 -14.394 6.524 1.00 11.21 N ATOM 225 CA LYS A 14 -11.959 -15.832 6.362 1.00 32.41 C ATOM 226 C LYS A 14 -11.817 -16.528 7.720 1.00 73.21 C ATOM 227 O LYS A 14 -12.416 -17.576 7.957 1.00 71.23 O ATOM 228 CB LYS A 14 -10.921 -16.368 5.372 1.00 62.14 C ATOM 229 CG LYS A 14 -9.520 -16.424 5.943 1.00 74.03 C ATOM 230 CD LYS A 14 -8.623 -17.361 5.156 1.00 34.23 C ATOM 231 CE LYS A 14 -7.246 -17.459 5.787 1.00 74.14 C ATOM 232 NZ LYS A 14 -6.573 -16.138 5.849 1.00 2.44 N ATOM 0 H LYS A 14 -10.992 -13.992 6.082 1.00 11.21 H new ATOM 0 HA LYS A 14 -12.950 -16.043 5.961 1.00 32.41 H new ATOM 0 HB2 LYS A 14 -11.216 -17.368 5.053 1.00 62.14 H new ATOM 0 HB3 LYS A 14 -10.918 -15.738 4.483 1.00 62.14 H new ATOM 0 HG2 LYS A 14 -9.088 -15.423 5.943 1.00 74.03 H new ATOM 0 HG3 LYS A 14 -9.565 -16.752 6.982 1.00 74.03 H new ATOM 0 HD2 LYS A 14 -9.077 -18.351 5.111 1.00 34.23 H new ATOM 0 HD3 LYS A 14 -8.532 -17.005 4.130 1.00 34.23 H new ATOM 0 HE2 LYS A 14 -7.336 -17.869 6.793 1.00 74.14 H new ATOM 0 HE3 LYS A 14 -6.632 -18.153 5.213 1.00 74.14 H new ATOM 0 HZ1 LYS A 14 -5.579 -16.267 6.126 1.00 2.44 H new ATOM 0 HZ2 LYS A 14 -6.616 -15.683 4.915 1.00 2.44 H new ATOM 0 HZ3 LYS A 14 -7.052 -15.537 6.549 1.00 2.44 H new ATOM 246 N ASP A 15 -11.042 -15.911 8.613 1.00 25.22 N ATOM 247 CA ASP A 15 -10.817 -16.447 9.958 1.00 10.43 C ATOM 248 C ASP A 15 -12.055 -16.259 10.818 1.00 51.31 C ATOM 249 O ASP A 15 -12.455 -17.149 11.571 1.00 65.34 O ATOM 250 CB ASP A 15 -9.630 -15.740 10.614 1.00 54.30 C ATOM 251 CG ASP A 15 -9.432 -16.141 12.064 1.00 43.31 C ATOM 252 OD1 ASP A 15 -8.962 -17.268 12.321 1.00 21.31 O ATOM 253 OD2 ASP A 15 -9.734 -15.320 12.956 1.00 15.12 O ATOM 0 H ASP A 15 -10.556 -15.033 8.428 1.00 25.22 H new ATOM 0 HA ASP A 15 -10.602 -17.512 9.872 1.00 10.43 H new ATOM 0 HB2 ASP A 15 -8.723 -15.966 10.053 1.00 54.30 H new ATOM 0 HB3 ASP A 15 -9.779 -14.662 10.558 1.00 54.30 H new ATOM 258 N GLN A 16 -12.659 -15.084 10.683 1.00 44.21 N ATOM 259 CA GLN A 16 -13.888 -14.741 11.404 1.00 15.44 C ATOM 260 C GLN A 16 -15.035 -15.643 10.975 1.00 42.51 C ATOM 261 O GLN A 16 -16.117 -15.627 11.560 1.00 13.43 O ATOM 262 CB GLN A 16 -14.289 -13.286 11.145 1.00 1.33 C ATOM 263 CG GLN A 16 -13.126 -12.331 11.100 1.00 41.21 C ATOM 264 CD GLN A 16 -13.553 -10.890 11.240 1.00 12.33 C ATOM 265 OE1 GLN A 16 -14.539 -10.576 11.904 1.00 4.13 O ATOM 266 NE2 GLN A 16 -12.833 -10.013 10.575 1.00 43.33 N ATOM 0 H GLN A 16 -12.315 -14.342 10.074 1.00 44.21 H new ATOM 0 HA GLN A 16 -13.688 -14.880 12.467 1.00 15.44 H new ATOM 0 HB2 GLN A 16 -14.828 -13.231 10.199 1.00 1.33 H new ATOM 0 HB3 GLN A 16 -14.980 -12.965 11.925 1.00 1.33 H new ATOM 0 HG2 GLN A 16 -12.427 -12.578 11.899 1.00 41.21 H new ATOM 0 HG3 GLN A 16 -12.592 -12.458 10.158 1.00 41.21 H new ATOM 0 HE21 GLN A 16 -12.023 -10.321 10.037 1.00 43.33 H new ATOM 0 HE22 GLN A 16 -13.085 -9.025 10.597 1.00 43.33 H new ATOM 275 N GLY A 17 -14.795 -16.410 9.929 1.00 52.51 N ATOM 276 CA GLY A 17 -15.802 -17.295 9.422 1.00 35.35 C ATOM 277 C GLY A 17 -16.617 -16.649 8.336 1.00 2.43 C ATOM 278 O GLY A 17 -17.823 -16.875 8.234 1.00 55.22 O ATOM 0 H GLY A 17 -13.911 -16.432 9.421 1.00 52.51 H new ATOM 0 HA2 GLY A 17 -15.331 -18.198 9.034 1.00 35.35 H new ATOM 0 HA3 GLY A 17 -16.459 -17.602 10.236 1.00 35.35 H new ATOM 282 N CYS A 18 -15.981 -15.792 7.549 1.00 14.11 N ATOM 283 CA CYS A 18 -16.649 -15.231 6.396 1.00 14.32 C ATOM 284 C CYS A 18 -15.976 -15.667 5.106 1.00 34.03 C ATOM 285 O CYS A 18 -14.753 -15.745 5.034 1.00 42.34 O ATOM 286 CB CYS A 18 -16.648 -13.712 6.467 1.00 40.10 C ATOM 287 SG CYS A 18 -18.061 -12.973 5.606 1.00 61.14 S ATOM 0 H CYS A 18 -15.021 -15.478 7.688 1.00 14.11 H new ATOM 0 HA CYS A 18 -17.675 -15.598 6.402 1.00 14.32 H new ATOM 0 HB2 CYS A 18 -16.661 -13.401 7.512 1.00 40.10 H new ATOM 0 HB3 CYS A 18 -15.723 -13.332 6.032 1.00 40.10 H new ATOM 0 HG CYS A 18 -19.041 -13.826 5.570 1.00 61.14 H new ATOM 292 N GLU A 19 -16.779 -15.967 4.098 1.00 14.35 N ATOM 293 CA GLU A 19 -16.262 -16.165 2.746 1.00 25.34 C ATOM 294 C GLU A 19 -16.915 -15.171 1.786 1.00 73.43 C ATOM 295 O GLU A 19 -16.498 -15.028 0.636 1.00 4.43 O ATOM 296 CB GLU A 19 -16.510 -17.601 2.260 1.00 74.11 C ATOM 297 CG GLU A 19 -17.970 -17.925 1.969 1.00 33.20 C ATOM 298 CD GLU A 19 -18.825 -17.945 3.216 1.00 54.13 C ATOM 299 OE1 GLU A 19 -19.194 -16.857 3.696 1.00 63.13 O ATOM 300 OE2 GLU A 19 -19.112 -19.048 3.732 1.00 71.35 O ATOM 0 H GLU A 19 -17.789 -16.079 4.186 1.00 14.35 H new ATOM 0 HA GLU A 19 -15.186 -15.995 2.768 1.00 25.34 H new ATOM 0 HB2 GLU A 19 -15.926 -17.771 1.356 1.00 74.11 H new ATOM 0 HB3 GLU A 19 -16.140 -18.296 3.014 1.00 74.11 H new ATOM 0 HG2 GLU A 19 -18.369 -17.188 1.272 1.00 33.20 H new ATOM 0 HG3 GLU A 19 -18.031 -18.895 1.476 1.00 33.20 H new ATOM 307 N ASP A 20 -17.922 -14.467 2.290 1.00 24.31 N ATOM 308 CA ASP A 20 -18.740 -13.578 1.480 1.00 1.33 C ATOM 309 C ASP A 20 -18.205 -12.154 1.513 1.00 22.21 C ATOM 310 O ASP A 20 -18.567 -11.349 2.381 1.00 41.31 O ATOM 311 CB ASP A 20 -20.189 -13.605 1.969 1.00 21.25 C ATOM 312 CG ASP A 20 -21.091 -12.666 1.189 1.00 5.24 C ATOM 313 OD1 ASP A 20 -20.846 -12.456 -0.019 1.00 31.54 O ATOM 314 OD2 ASP A 20 -22.063 -12.149 1.776 1.00 40.41 O ATOM 0 H ASP A 20 -18.193 -14.498 3.273 1.00 24.31 H new ATOM 0 HA ASP A 20 -18.702 -13.930 0.449 1.00 1.33 H new ATOM 0 HB2 ASP A 20 -20.575 -14.621 1.890 1.00 21.25 H new ATOM 0 HB3 ASP A 20 -20.216 -13.334 3.025 1.00 21.25 H new ATOM 319 N PHE A 21 -17.297 -11.882 0.592 1.00 40.23 N ATOM 320 CA PHE A 21 -16.712 -10.555 0.428 1.00 51.33 C ATOM 321 C PHE A 21 -15.926 -10.458 -0.876 1.00 22.04 C ATOM 322 O PHE A 21 -15.623 -11.472 -1.509 1.00 32.11 O ATOM 323 CB PHE A 21 -15.809 -10.204 1.617 1.00 1.45 C ATOM 324 CG PHE A 21 -14.960 -11.341 2.126 1.00 12.02 C ATOM 325 CD1 PHE A 21 -13.781 -11.703 1.496 1.00 25.13 C ATOM 326 CD2 PHE A 21 -15.339 -12.029 3.264 1.00 73.15 C ATOM 327 CE1 PHE A 21 -12.999 -12.730 1.996 1.00 64.32 C ATOM 328 CE2 PHE A 21 -14.568 -13.051 3.762 1.00 53.21 C ATOM 329 CZ PHE A 21 -13.393 -13.406 3.133 1.00 2.13 C ATOM 0 H PHE A 21 -16.941 -12.575 -0.067 1.00 40.23 H new ATOM 0 HA PHE A 21 -17.531 -9.837 0.390 1.00 51.33 H new ATOM 0 HB2 PHE A 21 -15.154 -9.382 1.327 1.00 1.45 H new ATOM 0 HB3 PHE A 21 -16.433 -9.842 2.434 1.00 1.45 H new ATOM 0 HD1 PHE A 21 -13.468 -11.178 0.605 1.00 25.13 H new ATOM 0 HD2 PHE A 21 -16.255 -11.759 3.769 1.00 73.15 H new ATOM 0 HE1 PHE A 21 -12.081 -13.002 1.497 1.00 64.32 H new ATOM 0 HE2 PHE A 21 -14.883 -13.579 4.650 1.00 53.21 H new ATOM 0 HZ PHE A 21 -12.786 -14.207 3.527 1.00 2.13 H new ATOM 339 N GLY A 22 -15.605 -9.234 -1.276 1.00 71.41 N ATOM 340 CA GLY A 22 -14.833 -9.016 -2.486 1.00 51.52 C ATOM 341 C GLY A 22 -14.796 -7.553 -2.887 1.00 64.22 C ATOM 342 O GLY A 22 -15.373 -6.705 -2.208 1.00 63.22 O ATOM 0 H GLY A 22 -15.867 -8.382 -0.780 1.00 71.41 H new ATOM 0 HA2 GLY A 22 -13.815 -9.375 -2.335 1.00 51.52 H new ATOM 0 HA3 GLY A 22 -15.261 -9.603 -3.299 1.00 51.52 H new ATOM 346 N THR A 23 -14.125 -7.253 -3.988 1.00 12.32 N ATOM 347 CA THR A 23 -14.015 -5.882 -4.465 1.00 20.03 C ATOM 348 C THR A 23 -14.763 -5.701 -5.777 1.00 22.13 C ATOM 349 O THR A 23 -14.641 -6.525 -6.683 1.00 63.01 O ATOM 350 CB THR A 23 -12.546 -5.480 -4.674 1.00 60.13 C ATOM 351 OG1 THR A 23 -11.859 -6.512 -5.396 1.00 65.31 O ATOM 352 CG2 THR A 23 -11.858 -5.226 -3.346 1.00 63.03 C ATOM 0 H THR A 23 -13.647 -7.941 -4.570 1.00 12.32 H new ATOM 0 HA THR A 23 -14.457 -5.243 -3.701 1.00 20.03 H new ATOM 0 HB THR A 23 -12.520 -4.556 -5.251 1.00 60.13 H new ATOM 0 HG1 THR A 23 -10.924 -6.251 -5.529 1.00 65.31 H new ATOM 0 HG21 THR A 23 -10.820 -4.943 -3.522 1.00 63.03 H new ATOM 0 HG22 THR A 23 -12.369 -4.420 -2.820 1.00 63.03 H new ATOM 0 HG23 THR A 23 -11.890 -6.132 -2.741 1.00 63.03 H new ATOM 360 N LYS A 24 -15.530 -4.626 -5.881 1.00 40.54 N ATOM 361 CA LYS A 24 -16.250 -4.336 -7.111 1.00 63.34 C ATOM 362 C LYS A 24 -15.535 -3.235 -7.882 1.00 73.53 C ATOM 363 O LYS A 24 -14.892 -2.365 -7.288 1.00 40.21 O ATOM 364 CB LYS A 24 -17.707 -3.929 -6.835 1.00 50.11 C ATOM 365 CG LYS A 24 -17.874 -2.511 -6.311 1.00 31.33 C ATOM 366 CD LYS A 24 -18.800 -1.694 -7.204 1.00 2.12 C ATOM 367 CE LYS A 24 -18.911 -0.252 -6.730 1.00 55.25 C ATOM 368 NZ LYS A 24 -19.836 0.545 -7.581 1.00 33.11 N ATOM 0 H LYS A 24 -15.669 -3.945 -5.135 1.00 40.54 H new ATOM 0 HA LYS A 24 -16.270 -5.246 -7.710 1.00 63.34 H new ATOM 0 HB2 LYS A 24 -18.281 -4.033 -7.756 1.00 50.11 H new ATOM 0 HB3 LYS A 24 -18.135 -4.623 -6.112 1.00 50.11 H new ATOM 0 HG2 LYS A 24 -18.276 -2.541 -5.298 1.00 31.33 H new ATOM 0 HG3 LYS A 24 -16.900 -2.026 -6.254 1.00 31.33 H new ATOM 0 HD2 LYS A 24 -18.428 -1.713 -8.228 1.00 2.12 H new ATOM 0 HD3 LYS A 24 -19.790 -2.150 -7.216 1.00 2.12 H new ATOM 0 HE2 LYS A 24 -19.263 -0.236 -5.698 1.00 55.25 H new ATOM 0 HE3 LYS A 24 -17.923 0.209 -6.738 1.00 55.25 H new ATOM 0 HZ1 LYS A 24 -19.883 1.521 -7.224 1.00 33.11 H new ATOM 0 HZ2 LYS A 24 -19.488 0.551 -8.561 1.00 33.11 H new ATOM 0 HZ3 LYS A 24 -20.785 0.121 -7.554 1.00 33.11 H new ATOM 743 N TYR A 47 -16.049 8.113 -13.354 1.00 73.24 N ATOM 744 CA TYR A 47 -15.304 7.759 -12.166 1.00 72.10 C ATOM 745 C TYR A 47 -15.370 6.264 -11.925 1.00 21.32 C ATOM 746 O TYR A 47 -16.436 5.658 -12.005 1.00 23.42 O ATOM 747 CB TYR A 47 -15.837 8.529 -10.952 1.00 25.04 C ATOM 748 CG TYR A 47 -15.503 10.005 -10.983 1.00 42.42 C ATOM 749 CD1 TYR A 47 -16.252 10.901 -11.739 1.00 45.13 C ATOM 750 CD2 TYR A 47 -14.417 10.497 -10.275 1.00 31.11 C ATOM 751 CE1 TYR A 47 -15.926 12.245 -11.783 1.00 0.25 C ATOM 752 CE2 TYR A 47 -14.081 11.836 -10.318 1.00 73.21 C ATOM 753 CZ TYR A 47 -14.838 12.706 -11.073 1.00 62.11 C ATOM 754 OH TYR A 47 -14.494 14.039 -11.130 1.00 24.13 O ATOM 0 HA TYR A 47 -14.260 8.035 -12.315 1.00 72.10 H new ATOM 0 HB2 TYR A 47 -16.919 8.410 -10.902 1.00 25.04 H new ATOM 0 HB3 TYR A 47 -15.426 8.090 -10.043 1.00 25.04 H new ATOM 0 HD1 TYR A 47 -17.102 10.542 -12.301 1.00 45.13 H new ATOM 0 HD2 TYR A 47 -13.823 9.820 -9.679 1.00 31.11 H new ATOM 0 HE1 TYR A 47 -16.521 12.929 -12.370 1.00 0.25 H new ATOM 0 HE2 TYR A 47 -13.229 12.200 -9.763 1.00 73.21 H new ATOM 0 HH TYR A 47 -13.704 14.197 -10.572 1.00 24.13 H new ATOM 764 N TYR A 48 -14.219 5.672 -11.674 1.00 74.25 N ATOM 765 CA TYR A 48 -14.138 4.261 -11.360 1.00 0.35 C ATOM 766 C TYR A 48 -14.707 4.011 -9.976 1.00 33.11 C ATOM 767 O TYR A 48 -14.111 4.401 -8.973 1.00 1.42 O ATOM 768 CB TYR A 48 -12.690 3.771 -11.417 1.00 73.14 C ATOM 769 CG TYR A 48 -12.167 3.511 -12.816 1.00 73.53 C ATOM 770 CD1 TYR A 48 -12.734 4.119 -13.929 1.00 42.22 C ATOM 771 CD2 TYR A 48 -11.100 2.646 -13.019 1.00 24.35 C ATOM 772 CE1 TYR A 48 -12.251 3.871 -15.202 1.00 60.50 C ATOM 773 CE2 TYR A 48 -10.612 2.394 -14.287 1.00 72.13 C ATOM 774 CZ TYR A 48 -11.188 3.009 -15.375 1.00 52.50 C ATOM 775 OH TYR A 48 -10.706 2.754 -16.641 1.00 74.50 O ATOM 0 H TYR A 48 -13.319 6.153 -11.682 1.00 74.25 H new ATOM 0 HA TYR A 48 -14.718 3.710 -12.100 1.00 0.35 H new ATOM 0 HB2 TYR A 48 -12.051 4.511 -10.936 1.00 73.14 H new ATOM 0 HB3 TYR A 48 -12.608 2.853 -10.836 1.00 73.14 H new ATOM 0 HD1 TYR A 48 -13.565 4.796 -13.799 1.00 42.22 H new ATOM 0 HD2 TYR A 48 -10.643 2.161 -12.169 1.00 24.35 H new ATOM 0 HE1 TYR A 48 -12.705 4.351 -16.057 1.00 60.50 H new ATOM 0 HE2 TYR A 48 -9.782 1.717 -14.424 1.00 72.13 H new ATOM 0 HH TYR A 48 -9.955 2.126 -16.585 1.00 74.50 H new ATOM 785 N GLY A 49 -15.870 3.390 -9.932 1.00 74.23 N ATOM 786 CA GLY A 49 -16.502 3.093 -8.671 1.00 33.04 C ATOM 787 C GLY A 49 -15.885 1.884 -8.012 1.00 62.42 C ATOM 788 O GLY A 49 -16.374 0.762 -8.175 1.00 42.33 O ATOM 0 H GLY A 49 -16.391 3.084 -10.754 1.00 74.23 H new ATOM 0 HA2 GLY A 49 -16.415 3.954 -8.008 1.00 33.04 H new ATOM 0 HA3 GLY A 49 -17.566 2.919 -8.829 1.00 33.04 H new ATOM 792 N PHE A 50 -14.789 2.101 -7.303 1.00 34.22 N ATOM 793 CA PHE A 50 -14.155 1.044 -6.542 1.00 3.43 C ATOM 794 C PHE A 50 -14.791 0.946 -5.168 1.00 1.33 C ATOM 795 O PHE A 50 -14.984 1.955 -4.483 1.00 72.54 O ATOM 796 CB PHE A 50 -12.652 1.287 -6.414 1.00 0.53 C ATOM 797 CG PHE A 50 -11.839 0.565 -7.449 1.00 43.01 C ATOM 798 CD1 PHE A 50 -11.515 -0.768 -7.268 1.00 23.12 C ATOM 799 CD2 PHE A 50 -11.396 1.208 -8.596 1.00 73.51 C ATOM 800 CE1 PHE A 50 -10.765 -1.447 -8.206 1.00 32.12 C ATOM 801 CE2 PHE A 50 -10.645 0.537 -9.532 1.00 13.41 C ATOM 802 CZ PHE A 50 -10.327 -0.793 -9.338 1.00 53.04 C ATOM 0 H PHE A 50 -14.320 3.005 -7.241 1.00 34.22 H new ATOM 0 HA PHE A 50 -14.300 0.103 -7.072 1.00 3.43 H new ATOM 0 HB2 PHE A 50 -12.457 2.357 -6.491 1.00 0.53 H new ATOM 0 HB3 PHE A 50 -12.324 0.974 -5.423 1.00 0.53 H new ATOM 0 HD1 PHE A 50 -11.853 -1.283 -6.381 1.00 23.12 H new ATOM 0 HD2 PHE A 50 -11.644 2.247 -8.755 1.00 73.51 H new ATOM 0 HE1 PHE A 50 -10.522 -2.488 -8.054 1.00 32.12 H new ATOM 0 HE2 PHE A 50 -10.304 1.050 -10.419 1.00 13.41 H new ATOM 0 HZ PHE A 50 -9.736 -1.320 -10.072 1.00 53.04 H new ATOM 812 N SER A 51 -15.150 -0.261 -4.778 1.00 64.03 N ATOM 813 CA SER A 51 -15.791 -0.483 -3.496 1.00 44.34 C ATOM 814 C SER A 51 -15.512 -1.891 -3.007 1.00 13.32 C ATOM 815 O SER A 51 -15.301 -2.802 -3.808 1.00 1.22 O ATOM 816 CB SER A 51 -17.299 -0.280 -3.613 1.00 55.44 C ATOM 817 OG SER A 51 -17.597 0.936 -4.267 1.00 34.24 O ATOM 0 H SER A 51 -15.008 -1.106 -5.332 1.00 64.03 H new ATOM 0 HA SER A 51 -15.386 0.235 -2.783 1.00 44.34 H new ATOM 0 HB2 SER A 51 -17.740 -1.111 -4.164 1.00 55.44 H new ATOM 0 HB3 SER A 51 -17.748 -0.282 -2.620 1.00 55.44 H new ATOM 0 HG SER A 51 -17.585 1.669 -3.616 1.00 34.24 H new ATOM 823 N PHE A 52 -15.519 -2.067 -1.699 1.00 42.40 N ATOM 824 CA PHE A 52 -15.359 -3.386 -1.124 1.00 53.21 C ATOM 825 C PHE A 52 -16.684 -3.859 -0.549 1.00 61.41 C ATOM 826 O PHE A 52 -17.301 -3.163 0.266 1.00 70.40 O ATOM 827 CB PHE A 52 -14.288 -3.408 -0.034 1.00 72.42 C ATOM 828 CG PHE A 52 -13.914 -4.809 0.368 1.00 51.30 C ATOM 829 CD1 PHE A 52 -14.694 -5.525 1.265 1.00 64.52 C ATOM 830 CD2 PHE A 52 -12.798 -5.420 -0.175 1.00 41.23 C ATOM 831 CE1 PHE A 52 -14.363 -6.819 1.613 1.00 53.43 C ATOM 832 CE2 PHE A 52 -12.465 -6.715 0.165 1.00 44.52 C ATOM 833 CZ PHE A 52 -13.249 -7.416 1.061 1.00 64.42 C ATOM 0 H PHE A 52 -15.633 -1.316 -1.019 1.00 42.40 H new ATOM 0 HA PHE A 52 -15.036 -4.057 -1.920 1.00 53.21 H new ATOM 0 HB2 PHE A 52 -13.400 -2.885 -0.389 1.00 72.42 H new ATOM 0 HB3 PHE A 52 -14.650 -2.866 0.839 1.00 72.42 H new ATOM 0 HD1 PHE A 52 -15.571 -5.064 1.696 1.00 64.52 H new ATOM 0 HD2 PHE A 52 -12.180 -4.876 -0.874 1.00 41.23 H new ATOM 0 HE1 PHE A 52 -14.976 -7.363 2.317 1.00 53.43 H new ATOM 0 HE2 PHE A 52 -11.592 -7.180 -0.269 1.00 44.52 H new ATOM 0 HZ PHE A 52 -12.990 -8.430 1.329 1.00 64.42 H new ATOM 843 N PHE A 53 -17.097 -5.043 -0.968 1.00 20.51 N ATOM 844 CA PHE A 53 -18.360 -5.619 -0.546 1.00 54.01 C ATOM 845 C PHE A 53 -18.170 -6.628 0.571 1.00 23.23 C ATOM 846 O PHE A 53 -17.264 -7.460 0.529 1.00 11.40 O ATOM 847 CB PHE A 53 -19.059 -6.285 -1.726 1.00 74.01 C ATOM 848 CG PHE A 53 -19.964 -5.356 -2.468 1.00 73.41 C ATOM 849 CD1 PHE A 53 -21.269 -5.196 -2.056 1.00 74.13 C ATOM 850 CD2 PHE A 53 -19.513 -4.642 -3.562 1.00 53.41 C ATOM 851 CE1 PHE A 53 -22.120 -4.339 -2.720 1.00 71.15 C ATOM 852 CE2 PHE A 53 -20.358 -3.782 -4.235 1.00 62.43 C ATOM 853 CZ PHE A 53 -21.664 -3.630 -3.813 1.00 4.12 C ATOM 0 H PHE A 53 -16.566 -5.631 -1.610 1.00 20.51 H new ATOM 0 HA PHE A 53 -18.980 -4.806 -0.167 1.00 54.01 H new ATOM 0 HB2 PHE A 53 -18.308 -6.677 -2.412 1.00 74.01 H new ATOM 0 HB3 PHE A 53 -19.637 -7.136 -1.366 1.00 74.01 H new ATOM 0 HD1 PHE A 53 -21.630 -5.749 -1.202 1.00 74.13 H new ATOM 0 HD2 PHE A 53 -18.492 -4.758 -3.893 1.00 53.41 H new ATOM 0 HE1 PHE A 53 -23.140 -4.223 -2.386 1.00 71.15 H new ATOM 0 HE2 PHE A 53 -19.998 -3.229 -5.090 1.00 62.43 H new ATOM 0 HZ PHE A 53 -22.327 -2.958 -4.337 1.00 4.12 H new ATOM 863 N ARG A 54 -19.030 -6.536 1.568 1.00 42.22 N ATOM 864 CA ARG A 54 -19.040 -7.481 2.667 1.00 32.22 C ATOM 865 C ARG A 54 -20.491 -7.770 3.038 1.00 33.31 C ATOM 866 O ARG A 54 -21.164 -6.923 3.629 1.00 64.15 O ATOM 867 CB ARG A 54 -18.269 -6.909 3.861 1.00 31.11 C ATOM 868 CG ARG A 54 -17.414 -7.930 4.599 1.00 64.43 C ATOM 869 CD ARG A 54 -18.118 -8.507 5.817 1.00 64.45 C ATOM 870 NE ARG A 54 -17.301 -9.537 6.470 1.00 45.00 N ATOM 871 CZ ARG A 54 -17.153 -9.661 7.798 1.00 3.30 C ATOM 872 NH1 ARG A 54 -17.789 -8.849 8.628 1.00 74.33 N ATOM 873 NH2 ARG A 54 -16.351 -10.595 8.298 1.00 12.25 N ATOM 0 H ARG A 54 -19.739 -5.806 1.638 1.00 42.22 H new ATOM 0 HA ARG A 54 -18.550 -8.409 2.373 1.00 32.22 H new ATOM 0 HB2 ARG A 54 -17.628 -6.100 3.511 1.00 31.11 H new ATOM 0 HB3 ARG A 54 -18.980 -6.472 4.562 1.00 31.11 H new ATOM 0 HG2 ARG A 54 -17.151 -8.739 3.918 1.00 64.43 H new ATOM 0 HG3 ARG A 54 -16.481 -7.460 4.911 1.00 64.43 H new ATOM 0 HD2 ARG A 54 -18.334 -7.708 6.526 1.00 64.45 H new ATOM 0 HD3 ARG A 54 -19.075 -8.935 5.517 1.00 64.45 H new ATOM 0 HE ARG A 54 -16.812 -10.204 5.873 1.00 45.00 H new ATOM 0 HH11 ARG A 54 -18.399 -8.119 8.260 1.00 74.33 H new ATOM 0 HH12 ARG A 54 -17.669 -8.953 9.636 1.00 74.33 H new ATOM 0 HH21 ARG A 54 -15.845 -11.221 7.672 1.00 12.25 H new ATOM 0 HH22 ARG A 54 -16.241 -10.686 9.308 1.00 12.25 H new ATOM 887 N HIS A 55 -20.976 -8.947 2.641 1.00 72.11 N ATOM 888 CA HIS A 55 -22.394 -9.316 2.791 1.00 64.34 C ATOM 889 C HIS A 55 -23.298 -8.416 1.968 1.00 0.25 C ATOM 890 O HIS A 55 -24.431 -8.132 2.357 1.00 73.43 O ATOM 891 CB HIS A 55 -22.833 -9.279 4.252 1.00 54.12 C ATOM 892 CG HIS A 55 -22.519 -10.533 4.981 1.00 3.10 C ATOM 893 ND1 HIS A 55 -23.472 -11.417 5.434 1.00 43.52 N ATOM 894 CD2 HIS A 55 -21.324 -11.058 5.321 1.00 32.13 C ATOM 895 CE1 HIS A 55 -22.836 -12.433 6.021 1.00 43.44 C ATOM 896 NE2 HIS A 55 -21.533 -12.257 5.975 1.00 45.10 N ATOM 0 H HIS A 55 -20.404 -9.672 2.208 1.00 72.11 H new ATOM 0 HA HIS A 55 -22.488 -10.337 2.422 1.00 64.34 H new ATOM 0 HB2 HIS A 55 -22.345 -8.442 4.752 1.00 54.12 H new ATOM 0 HB3 HIS A 55 -23.907 -9.096 4.299 1.00 54.12 H new ATOM 0 HD2 HIS A 55 -20.361 -10.614 5.116 1.00 32.13 H new ATOM 0 HE1 HIS A 55 -23.325 -13.284 6.472 1.00 43.44 H new ATOM 0 HE2 HIS A 55 -20.819 -12.882 6.348 1.00 45.10 H new ATOM 904 N GLY A 56 -22.802 -7.978 0.825 1.00 24.03 N ATOM 905 CA GLY A 56 -23.579 -7.106 -0.028 1.00 21.32 C ATOM 906 C GLY A 56 -23.581 -5.670 0.461 1.00 14.14 C ATOM 907 O GLY A 56 -24.130 -4.785 -0.198 1.00 21.41 O ATOM 0 H GLY A 56 -21.874 -8.210 0.471 1.00 24.03 H new ATOM 0 HA2 GLY A 56 -23.178 -7.141 -1.041 1.00 21.32 H new ATOM 0 HA3 GLY A 56 -24.605 -7.471 -0.078 1.00 21.32 H new ATOM 911 N ASN A 57 -22.977 -5.438 1.623 1.00 64.15 N ATOM 912 CA ASN A 57 -22.845 -4.087 2.150 1.00 61.44 C ATOM 913 C ASN A 57 -21.569 -3.466 1.631 1.00 53.42 C ATOM 914 O ASN A 57 -20.747 -4.138 1.005 1.00 22.33 O ATOM 915 CB ASN A 57 -22.805 -4.056 3.682 1.00 72.23 C ATOM 916 CG ASN A 57 -23.942 -4.804 4.338 1.00 22.24 C ATOM 917 OD1 ASN A 57 -25.035 -4.269 4.533 1.00 62.25 O ATOM 918 ND2 ASN A 57 -23.671 -6.037 4.709 1.00 41.02 N ATOM 0 H ASN A 57 -22.574 -6.165 2.214 1.00 64.15 H new ATOM 0 HA ASN A 57 -23.721 -3.529 1.820 1.00 61.44 H new ATOM 0 HB2 ASN A 57 -21.860 -4.481 4.020 1.00 72.23 H new ATOM 0 HB3 ASN A 57 -22.825 -3.018 4.016 1.00 72.23 H new ATOM 0 HD21 ASN A 57 -24.382 -6.595 5.181 1.00 41.02 H new ATOM 0 HD22 ASN A 57 -22.750 -6.434 4.524 1.00 41.02 H new ATOM 925 N ILE A 58 -21.388 -2.198 1.918 1.00 23.42 N ATOM 926 CA ILE A 58 -20.197 -1.496 1.487 1.00 42.41 C ATOM 927 C ILE A 58 -19.308 -1.176 2.672 1.00 41.11 C ATOM 928 O ILE A 58 -19.701 -0.463 3.596 1.00 33.45 O ATOM 929 CB ILE A 58 -20.540 -0.209 0.708 1.00 52.12 C ATOM 930 CG1 ILE A 58 -21.119 -0.575 -0.659 1.00 51.11 C ATOM 931 CG2 ILE A 58 -19.315 0.682 0.546 1.00 14.24 C ATOM 932 CD1 ILE A 58 -20.130 -1.266 -1.572 1.00 71.01 C ATOM 0 H ILE A 58 -22.049 -1.630 2.448 1.00 23.42 H new ATOM 0 HA ILE A 58 -19.657 -2.157 0.809 1.00 42.41 H new ATOM 0 HB ILE A 58 -21.283 0.351 1.276 1.00 52.12 H new ATOM 0 HG12 ILE A 58 -21.983 -1.224 -0.516 1.00 51.11 H new ATOM 0 HG13 ILE A 58 -21.478 0.331 -1.146 1.00 51.11 H new ATOM 0 HG21 ILE A 58 -19.589 1.581 -0.007 1.00 14.24 H new ATOM 0 HG22 ILE A 58 -18.936 0.962 1.529 1.00 14.24 H new ATOM 0 HG23 ILE A 58 -18.542 0.142 -0.000 1.00 14.24 H new ATOM 0 HD11 ILE A 58 -20.611 -1.495 -2.523 1.00 71.01 H new ATOM 0 HD12 ILE A 58 -19.276 -0.611 -1.746 1.00 71.01 H new ATOM 0 HD13 ILE A 58 -19.789 -2.190 -1.106 1.00 71.01 H new ATOM 944 N VAL A 59 -18.122 -1.745 2.650 1.00 73.05 N ATOM 945 CA VAL A 59 -17.136 -1.484 3.679 1.00 63.42 C ATOM 946 C VAL A 59 -16.179 -0.397 3.213 1.00 14.01 C ATOM 947 O VAL A 59 -15.781 0.478 3.982 1.00 70.31 O ATOM 948 CB VAL A 59 -16.353 -2.762 4.044 1.00 13.40 C ATOM 949 CG1 VAL A 59 -15.196 -2.445 4.973 1.00 40.15 C ATOM 950 CG2 VAL A 59 -17.277 -3.787 4.683 1.00 20.35 C ATOM 0 H VAL A 59 -17.815 -2.395 1.927 1.00 73.05 H new ATOM 0 HA VAL A 59 -17.659 -1.147 4.574 1.00 63.42 H new ATOM 0 HB VAL A 59 -15.946 -3.182 3.124 1.00 13.40 H new ATOM 0 HG11 VAL A 59 -14.661 -3.363 5.214 1.00 40.15 H new ATOM 0 HG12 VAL A 59 -14.517 -1.747 4.483 1.00 40.15 H new ATOM 0 HG13 VAL A 59 -15.578 -1.996 5.890 1.00 40.15 H new ATOM 0 HG21 VAL A 59 -16.709 -4.682 4.934 1.00 20.35 H new ATOM 0 HG22 VAL A 59 -17.714 -3.368 5.590 1.00 20.35 H new ATOM 0 HG23 VAL A 59 -18.072 -4.046 3.984 1.00 20.35 H new ATOM 960 N ALA A 60 -15.835 -0.444 1.937 1.00 63.12 N ATOM 961 CA ALA A 60 -14.950 0.550 1.357 1.00 25.43 C ATOM 962 C ALA A 60 -15.564 1.139 0.107 1.00 53.01 C ATOM 963 O ALA A 60 -16.220 0.433 -0.656 1.00 25.12 O ATOM 964 CB ALA A 60 -13.595 -0.054 1.032 1.00 52.32 C ATOM 0 H ALA A 60 -16.155 -1.159 1.284 1.00 63.12 H new ATOM 0 HA ALA A 60 -14.809 1.343 2.091 1.00 25.43 H new ATOM 0 HB1 ALA A 60 -12.950 0.711 0.599 1.00 52.32 H new ATOM 0 HB2 ALA A 60 -13.140 -0.438 1.945 1.00 52.32 H new ATOM 0 HB3 ALA A 60 -13.721 -0.869 0.319 1.00 52.32 H new ATOM 970 N TYR A 61 -15.363 2.429 -0.093 1.00 23.32 N ATOM 971 CA TYR A 61 -15.821 3.092 -1.299 1.00 34.30 C ATOM 972 C TYR A 61 -14.833 4.177 -1.693 1.00 54.33 C ATOM 973 O TYR A 61 -14.306 4.884 -0.836 1.00 54.33 O ATOM 974 CB TYR A 61 -17.214 3.702 -1.103 1.00 22.31 C ATOM 975 CG TYR A 61 -17.859 4.149 -2.399 1.00 10.55 C ATOM 976 CD1 TYR A 61 -17.590 5.396 -2.947 1.00 24.12 C ATOM 977 CD2 TYR A 61 -18.725 3.310 -3.083 1.00 1.00 C ATOM 978 CE1 TYR A 61 -18.170 5.793 -4.137 1.00 31.12 C ATOM 979 CE2 TYR A 61 -19.306 3.699 -4.276 1.00 43.35 C ATOM 980 CZ TYR A 61 -19.025 4.942 -4.797 1.00 61.03 C ATOM 981 OH TYR A 61 -19.602 5.338 -5.981 1.00 25.04 O ATOM 0 H TYR A 61 -14.883 3.040 0.568 1.00 23.32 H new ATOM 0 HA TYR A 61 -15.886 2.349 -2.094 1.00 34.30 H new ATOM 0 HB2 TYR A 61 -17.859 2.970 -0.618 1.00 22.31 H new ATOM 0 HB3 TYR A 61 -17.138 4.556 -0.429 1.00 22.31 H new ATOM 0 HD1 TYR A 61 -16.916 6.067 -2.435 1.00 24.12 H new ATOM 0 HD2 TYR A 61 -18.950 2.335 -2.677 1.00 1.00 H new ATOM 0 HE1 TYR A 61 -17.952 6.768 -4.547 1.00 31.12 H new ATOM 0 HE2 TYR A 61 -19.977 3.031 -4.796 1.00 43.35 H new ATOM 0 HH TYR A 61 -20.179 4.622 -6.320 1.00 25.04 H new ATOM 991 N GLY A 62 -14.567 4.281 -2.978 1.00 2.13 N ATOM 992 CA GLY A 62 -13.720 5.332 -3.479 1.00 4.53 C ATOM 993 C GLY A 62 -13.778 5.419 -4.983 1.00 52.25 C ATOM 994 O GLY A 62 -13.256 4.550 -5.677 1.00 13.22 O ATOM 0 H GLY A 62 -14.928 3.648 -3.692 1.00 2.13 H new ATOM 0 HA2 GLY A 62 -14.026 6.285 -3.046 1.00 4.53 H new ATOM 0 HA3 GLY A 62 -12.692 5.154 -3.163 1.00 4.53 H new ATOM 998 N LYS A 63 -14.431 6.449 -5.497 1.00 15.45 N ATOM 999 CA LYS A 63 -14.504 6.631 -6.933 1.00 23.41 C ATOM 1000 C LYS A 63 -13.512 7.705 -7.357 1.00 2.41 C ATOM 1001 O LYS A 63 -13.282 8.678 -6.633 1.00 24.11 O ATOM 1002 CB LYS A 63 -15.927 6.990 -7.393 1.00 43.54 C ATOM 1003 CG LYS A 63 -16.267 8.468 -7.279 1.00 72.54 C ATOM 1004 CD LYS A 63 -17.662 8.774 -7.809 1.00 32.25 C ATOM 1005 CE LYS A 63 -18.761 8.149 -6.960 1.00 72.03 C ATOM 1006 NZ LYS A 63 -18.990 8.892 -5.690 1.00 44.14 N ATOM 0 H LYS A 63 -14.911 7.162 -4.948 1.00 15.45 H new ATOM 0 HA LYS A 63 -14.245 5.687 -7.413 1.00 23.41 H new ATOM 0 HB2 LYS A 63 -16.050 6.680 -8.431 1.00 43.54 H new ATOM 0 HB3 LYS A 63 -16.642 6.418 -6.802 1.00 43.54 H new ATOM 0 HG2 LYS A 63 -16.200 8.776 -6.236 1.00 72.54 H new ATOM 0 HG3 LYS A 63 -15.532 9.053 -7.832 1.00 72.54 H new ATOM 0 HD2 LYS A 63 -17.805 9.854 -7.844 1.00 32.25 H new ATOM 0 HD3 LYS A 63 -17.746 8.408 -8.832 1.00 32.25 H new ATOM 0 HE2 LYS A 63 -19.688 8.121 -7.533 1.00 72.03 H new ATOM 0 HE3 LYS A 63 -18.497 7.117 -6.731 1.00 72.03 H new ATOM 0 HZ1 LYS A 63 -19.747 8.428 -5.148 1.00 44.14 H new ATOM 0 HZ2 LYS A 63 -18.115 8.897 -5.128 1.00 44.14 H new ATOM 0 HZ3 LYS A 63 -19.269 9.870 -5.906 1.00 44.14 H new ATOM 1020 N SER A 64 -12.924 7.516 -8.517 1.00 45.01 N ATOM 1021 CA SER A 64 -11.935 8.443 -9.039 1.00 32.41 C ATOM 1022 C SER A 64 -11.804 8.262 -10.545 1.00 22.13 C ATOM 1023 O SER A 64 -12.209 7.238 -11.084 1.00 21.14 O ATOM 1024 CB SER A 64 -10.579 8.228 -8.363 1.00 21.11 C ATOM 1025 OG SER A 64 -9.634 9.194 -8.796 1.00 74.10 O ATOM 0 H SER A 64 -13.114 6.720 -9.126 1.00 45.01 H new ATOM 0 HA SER A 64 -12.265 9.460 -8.826 1.00 32.41 H new ATOM 0 HB2 SER A 64 -10.695 8.288 -7.281 1.00 21.11 H new ATOM 0 HB3 SER A 64 -10.211 7.227 -8.589 1.00 21.11 H new ATOM 0 HG SER A 64 -9.318 9.711 -8.026 1.00 74.10 H new ATOM 1031 N ARG A 65 -11.234 9.250 -11.217 1.00 62.12 N ATOM 1032 CA ARG A 65 -11.087 9.197 -12.667 1.00 5.35 C ATOM 1033 C ARG A 65 -10.045 8.155 -13.063 1.00 21.42 C ATOM 1034 O ARG A 65 -10.033 7.680 -14.198 1.00 73.10 O ATOM 1035 CB ARG A 65 -10.693 10.569 -13.214 1.00 42.23 C ATOM 1036 CG ARG A 65 -11.687 11.666 -12.867 1.00 42.04 C ATOM 1037 CD ARG A 65 -11.227 13.022 -13.377 1.00 2.54 C ATOM 1038 NE ARG A 65 -12.112 14.104 -12.942 1.00 41.34 N ATOM 1039 CZ ARG A 65 -11.991 15.370 -13.344 1.00 55.04 C ATOM 1040 NH1 ARG A 65 -11.027 15.710 -14.187 1.00 25.34 N ATOM 1041 NH2 ARG A 65 -12.835 16.293 -12.900 1.00 14.02 N ATOM 0 H ARG A 65 -10.866 10.097 -10.785 1.00 62.12 H new ATOM 0 HA ARG A 65 -12.046 8.910 -13.098 1.00 5.35 H new ATOM 0 HB2 ARG A 65 -9.713 10.840 -12.822 1.00 42.23 H new ATOM 0 HB3 ARG A 65 -10.597 10.506 -14.298 1.00 42.23 H new ATOM 0 HG2 ARG A 65 -12.659 11.426 -13.297 1.00 42.04 H new ATOM 0 HG3 ARG A 65 -11.819 11.709 -11.786 1.00 42.04 H new ATOM 0 HD2 ARG A 65 -10.215 13.218 -13.023 1.00 2.54 H new ATOM 0 HD3 ARG A 65 -11.186 13.004 -14.466 1.00 2.54 H new ATOM 0 HE ARG A 65 -12.866 13.876 -12.293 1.00 41.34 H new ATOM 0 HH11 ARG A 65 -10.376 15.003 -14.529 1.00 25.34 H new ATOM 0 HH12 ARG A 65 -10.936 16.679 -14.494 1.00 25.34 H new ATOM 0 HH21 ARG A 65 -13.578 16.035 -12.250 1.00 14.02 H new ATOM 0 HH22 ARG A 65 -12.741 17.261 -13.208 1.00 14.02 H new ATOM 1055 N LYS A 66 -9.184 7.797 -12.114 1.00 62.25 N ATOM 1056 CA LYS A 66 -8.133 6.818 -12.360 1.00 21.44 C ATOM 1057 C LYS A 66 -8.314 5.601 -11.461 1.00 43.33 C ATOM 1058 O LYS A 66 -8.734 5.726 -10.307 1.00 12.02 O ATOM 1059 CB LYS A 66 -6.743 7.418 -12.124 1.00 3.10 C ATOM 1060 CG LYS A 66 -6.382 8.565 -13.058 1.00 3.25 C ATOM 1061 CD LYS A 66 -7.025 9.874 -12.625 1.00 33.11 C ATOM 1062 CE LYS A 66 -6.507 10.333 -11.272 1.00 4.41 C ATOM 1063 NZ LYS A 66 -5.057 10.656 -11.314 1.00 0.12 N ATOM 0 H LYS A 66 -9.195 8.172 -11.166 1.00 62.25 H new ATOM 0 HA LYS A 66 -8.210 6.515 -13.404 1.00 21.44 H new ATOM 0 HB2 LYS A 66 -6.684 7.772 -11.095 1.00 3.10 H new ATOM 0 HB3 LYS A 66 -5.998 6.630 -12.233 1.00 3.10 H new ATOM 0 HG2 LYS A 66 -5.299 8.684 -13.085 1.00 3.25 H new ATOM 0 HG3 LYS A 66 -6.701 8.322 -14.072 1.00 3.25 H new ATOM 0 HD2 LYS A 66 -6.824 10.643 -13.371 1.00 33.11 H new ATOM 0 HD3 LYS A 66 -8.107 9.750 -12.578 1.00 33.11 H new ATOM 0 HE2 LYS A 66 -7.065 11.211 -10.949 1.00 4.41 H new ATOM 0 HE3 LYS A 66 -6.684 9.553 -10.532 1.00 4.41 H new ATOM 0 HZ1 LYS A 66 -4.790 11.168 -10.449 1.00 0.12 H new ATOM 0 HZ2 LYS A 66 -4.507 9.776 -11.379 1.00 0.12 H new ATOM 0 HZ3 LYS A 66 -4.858 11.251 -12.143 1.00 0.12 H new ATOM 1077 N VAL A 67 -7.975 4.437 -11.997 1.00 10.13 N ATOM 1078 CA VAL A 67 -8.111 3.175 -11.278 1.00 33.43 C ATOM 1079 C VAL A 67 -7.259 3.153 -10.004 1.00 63.34 C ATOM 1080 O VAL A 67 -7.736 2.761 -8.941 1.00 1.24 O ATOM 1081 CB VAL A 67 -7.742 1.978 -12.194 1.00 43.23 C ATOM 1082 CG1 VAL A 67 -6.382 2.179 -12.829 1.00 62.23 C ATOM 1083 CG2 VAL A 67 -7.775 0.660 -11.436 1.00 71.24 C ATOM 0 H VAL A 67 -7.599 4.339 -12.940 1.00 10.13 H new ATOM 0 HA VAL A 67 -9.156 3.082 -10.981 1.00 33.43 H new ATOM 0 HB VAL A 67 -8.494 1.934 -12.982 1.00 43.23 H new ATOM 0 HG11 VAL A 67 -6.148 1.326 -13.466 1.00 62.23 H new ATOM 0 HG12 VAL A 67 -6.392 3.088 -13.430 1.00 62.23 H new ATOM 0 HG13 VAL A 67 -5.626 2.268 -12.049 1.00 62.23 H new ATOM 0 HG21 VAL A 67 -7.511 -0.154 -12.111 1.00 71.24 H new ATOM 0 HG22 VAL A 67 -7.061 0.695 -10.613 1.00 71.24 H new ATOM 0 HG23 VAL A 67 -8.777 0.493 -11.040 1.00 71.24 H new ATOM 1093 N ALA A 68 -6.011 3.601 -10.106 1.00 10.43 N ATOM 1094 CA ALA A 68 -5.090 3.576 -8.973 1.00 70.03 C ATOM 1095 C ALA A 68 -5.574 4.476 -7.842 1.00 31.33 C ATOM 1096 O ALA A 68 -5.509 4.104 -6.671 1.00 32.13 O ATOM 1097 CB ALA A 68 -3.696 3.987 -9.416 1.00 72.32 C ATOM 0 H ALA A 68 -5.613 3.986 -10.963 1.00 10.43 H new ATOM 0 HA ALA A 68 -5.054 2.554 -8.594 1.00 70.03 H new ATOM 0 HB1 ALA A 68 -3.021 3.964 -8.561 1.00 72.32 H new ATOM 0 HB2 ALA A 68 -3.338 3.296 -10.180 1.00 72.32 H new ATOM 0 HB3 ALA A 68 -3.727 4.996 -9.826 1.00 72.32 H new ATOM 1103 N ASN A 69 -6.072 5.654 -8.200 1.00 44.54 N ATOM 1104 CA ASN A 69 -6.546 6.614 -7.209 1.00 61.44 C ATOM 1105 C ASN A 69 -7.781 6.066 -6.508 1.00 53.05 C ATOM 1106 O ASN A 69 -7.883 6.116 -5.283 1.00 25.43 O ATOM 1107 CB ASN A 69 -6.877 7.952 -7.878 1.00 11.30 C ATOM 1108 CG ASN A 69 -6.903 9.134 -6.914 1.00 54.33 C ATOM 1109 OD1 ASN A 69 -7.244 8.895 -5.655 1.00 73.15 O flip ATOM 1110 ND2 ASN A 69 -6.622 10.265 -7.312 1.00 5.34 N flip ATOM 0 H ASN A 69 -6.158 5.967 -9.167 1.00 44.54 H new ATOM 0 HA ASN A 69 -5.758 6.776 -6.474 1.00 61.44 H new ATOM 0 HB2 ASN A 69 -6.142 8.148 -8.659 1.00 11.30 H new ATOM 0 HB3 ASN A 69 -7.848 7.873 -8.367 1.00 11.30 H new ATOM 0 HD21 ASN A 69 -6.364 10.413 -8.288 1.00 5.34 H new ATOM 0 HD22 ASN A 69 -6.647 11.054 -6.666 1.00 5.34 H new ATOM 1117 N ALA A 70 -8.713 5.550 -7.300 1.00 11.33 N ATOM 1118 CA ALA A 70 -9.933 4.950 -6.775 1.00 10.22 C ATOM 1119 C ALA A 70 -9.623 3.793 -5.827 1.00 32.34 C ATOM 1120 O ALA A 70 -10.150 3.737 -4.712 1.00 4.40 O ATOM 1121 CB ALA A 70 -10.804 4.476 -7.925 1.00 32.42 C ATOM 0 H ALA A 70 -8.645 5.535 -8.318 1.00 11.33 H new ATOM 0 HA ALA A 70 -10.470 5.707 -6.203 1.00 10.22 H new ATOM 0 HB1 ALA A 70 -11.716 4.028 -7.530 1.00 32.42 H new ATOM 0 HB2 ALA A 70 -11.062 5.324 -8.560 1.00 32.42 H new ATOM 0 HB3 ALA A 70 -10.260 3.736 -8.512 1.00 32.42 H new ATOM 1127 N LYS A 71 -8.760 2.879 -6.273 1.00 61.23 N ATOM 1128 CA LYS A 71 -8.336 1.754 -5.445 1.00 74.35 C ATOM 1129 C LYS A 71 -7.740 2.246 -4.143 1.00 23.33 C ATOM 1130 O LYS A 71 -8.033 1.720 -3.073 1.00 13.34 O ATOM 1131 CB LYS A 71 -7.299 0.899 -6.174 1.00 14.45 C ATOM 1132 CG LYS A 71 -7.856 0.165 -7.361 1.00 12.12 C ATOM 1133 CD LYS A 71 -6.833 -0.760 -8.006 1.00 63.43 C ATOM 1134 CE LYS A 71 -5.624 -0.004 -8.537 1.00 73.00 C ATOM 1135 NZ LYS A 71 -4.703 -0.899 -9.290 1.00 34.51 N ATOM 0 H LYS A 71 -8.342 2.898 -7.203 1.00 61.23 H new ATOM 0 HA LYS A 71 -9.218 1.148 -5.237 1.00 74.35 H new ATOM 0 HB2 LYS A 71 -6.480 1.538 -6.503 1.00 14.45 H new ATOM 0 HB3 LYS A 71 -6.879 0.177 -5.474 1.00 14.45 H new ATOM 0 HG2 LYS A 71 -8.723 -0.418 -7.050 1.00 12.12 H new ATOM 0 HG3 LYS A 71 -8.205 0.887 -8.099 1.00 12.12 H new ATOM 0 HD2 LYS A 71 -6.504 -1.500 -7.276 1.00 63.43 H new ATOM 0 HD3 LYS A 71 -7.305 -1.306 -8.823 1.00 63.43 H new ATOM 0 HE2 LYS A 71 -5.957 0.805 -9.187 1.00 73.00 H new ATOM 0 HE3 LYS A 71 -5.088 0.455 -7.706 1.00 73.00 H new ATOM 0 HZ1 LYS A 71 -3.891 -0.349 -9.637 1.00 34.51 H new ATOM 0 HZ2 LYS A 71 -4.366 -1.657 -8.663 1.00 34.51 H new ATOM 0 HZ3 LYS A 71 -5.208 -1.317 -10.097 1.00 34.51 H new ATOM 1149 N TYR A 72 -6.907 3.266 -4.251 1.00 53.13 N ATOM 1150 CA TYR A 72 -6.208 3.813 -3.106 1.00 11.35 C ATOM 1151 C TYR A 72 -7.187 4.218 -2.004 1.00 14.13 C ATOM 1152 O TYR A 72 -6.991 3.894 -0.831 1.00 72.14 O ATOM 1153 CB TYR A 72 -5.362 5.012 -3.545 1.00 52.24 C ATOM 1154 CG TYR A 72 -4.888 5.898 -2.412 1.00 32.24 C ATOM 1155 CD1 TYR A 72 -3.780 5.556 -1.647 1.00 14.03 C ATOM 1156 CD2 TYR A 72 -5.551 7.084 -2.117 1.00 34.42 C ATOM 1157 CE1 TYR A 72 -3.348 6.372 -0.620 1.00 43.22 C ATOM 1158 CE2 TYR A 72 -5.122 7.903 -1.095 1.00 11.50 C ATOM 1159 CZ TYR A 72 -4.022 7.542 -0.350 1.00 4.12 C ATOM 1160 OH TYR A 72 -3.584 8.363 0.663 1.00 73.13 O ATOM 0 H TYR A 72 -6.698 3.736 -5.132 1.00 53.13 H new ATOM 0 HA TYR A 72 -5.553 3.044 -2.697 1.00 11.35 H new ATOM 0 HB2 TYR A 72 -4.492 4.646 -4.091 1.00 52.24 H new ATOM 0 HB3 TYR A 72 -5.944 5.615 -4.241 1.00 52.24 H new ATOM 0 HD1 TYR A 72 -3.249 4.639 -1.858 1.00 14.03 H new ATOM 0 HD2 TYR A 72 -6.416 7.368 -2.698 1.00 34.42 H new ATOM 0 HE1 TYR A 72 -2.486 6.094 -0.032 1.00 43.22 H new ATOM 0 HE2 TYR A 72 -5.646 8.823 -0.880 1.00 11.50 H new ATOM 0 HH TYR A 72 -4.168 9.148 0.723 1.00 73.13 H new ATOM 1170 N ILE A 73 -8.243 4.913 -2.402 1.00 23.35 N ATOM 1171 CA ILE A 73 -9.249 5.403 -1.470 1.00 11.21 C ATOM 1172 C ILE A 73 -9.926 4.259 -0.723 1.00 73.10 C ATOM 1173 O ILE A 73 -9.963 4.248 0.510 1.00 14.41 O ATOM 1174 CB ILE A 73 -10.320 6.225 -2.205 1.00 73.03 C ATOM 1175 CG1 ILE A 73 -9.661 7.404 -2.923 1.00 55.44 C ATOM 1176 CG2 ILE A 73 -11.382 6.704 -1.220 1.00 44.35 C ATOM 1177 CD1 ILE A 73 -10.464 7.932 -4.087 1.00 70.21 C ATOM 0 H ILE A 73 -8.426 5.153 -3.376 1.00 23.35 H new ATOM 0 HA ILE A 73 -8.733 6.037 -0.749 1.00 11.21 H new ATOM 0 HB ILE A 73 -10.811 5.599 -2.950 1.00 73.03 H new ATOM 0 HG12 ILE A 73 -9.502 8.211 -2.207 1.00 55.44 H new ATOM 0 HG13 ILE A 73 -8.678 7.097 -3.281 1.00 55.44 H new ATOM 0 HG21 ILE A 73 -12.136 7.285 -1.752 1.00 44.35 H new ATOM 0 HG22 ILE A 73 -11.855 5.843 -0.747 1.00 44.35 H new ATOM 0 HG23 ILE A 73 -10.916 7.327 -0.456 1.00 44.35 H new ATOM 0 HD11 ILE A 73 -9.934 8.766 -4.546 1.00 70.21 H new ATOM 0 HD12 ILE A 73 -10.601 7.140 -4.823 1.00 70.21 H new ATOM 0 HD13 ILE A 73 -11.438 8.271 -3.733 1.00 70.21 H new ATOM 1189 N MET A 74 -10.456 3.293 -1.469 1.00 61.22 N ATOM 1190 CA MET A 74 -11.166 2.173 -0.859 1.00 45.30 C ATOM 1191 C MET A 74 -10.229 1.360 0.034 1.00 22.45 C ATOM 1192 O MET A 74 -10.629 0.892 1.101 1.00 24.32 O ATOM 1193 CB MET A 74 -11.800 1.263 -1.917 1.00 3.41 C ATOM 1194 CG MET A 74 -10.794 0.570 -2.808 1.00 71.12 C ATOM 1195 SD MET A 74 -11.464 -0.890 -3.610 1.00 73.41 S ATOM 1196 CE MET A 74 -10.007 -1.922 -3.556 1.00 72.11 C ATOM 0 H MET A 74 -10.408 3.263 -2.487 1.00 61.22 H new ATOM 0 HA MET A 74 -11.966 2.591 -0.248 1.00 45.30 H new ATOM 0 HB2 MET A 74 -12.408 0.509 -1.417 1.00 3.41 H new ATOM 0 HB3 MET A 74 -12.473 1.856 -2.537 1.00 3.41 H new ATOM 0 HG2 MET A 74 -10.447 1.269 -3.568 1.00 71.12 H new ATOM 0 HG3 MET A 74 -9.925 0.286 -2.215 1.00 71.12 H new ATOM 0 HE1 MET A 74 -10.161 -2.802 -4.180 1.00 72.11 H new ATOM 0 HE2 MET A 74 -9.149 -1.360 -3.927 1.00 72.11 H new ATOM 0 HE3 MET A 74 -9.820 -2.234 -2.528 1.00 72.11 H new ATOM 1206 N LYS A 75 -8.979 1.206 -0.397 1.00 11.43 N ATOM 1207 CA LYS A 75 -7.988 0.480 0.385 1.00 75.22 C ATOM 1208 C LYS A 75 -7.830 1.100 1.765 1.00 15.13 C ATOM 1209 O LYS A 75 -7.928 0.408 2.774 1.00 23.32 O ATOM 1210 CB LYS A 75 -6.644 0.459 -0.343 1.00 70.34 C ATOM 1211 CG LYS A 75 -6.632 -0.436 -1.570 1.00 3.44 C ATOM 1212 CD LYS A 75 -5.414 -0.171 -2.434 1.00 54.10 C ATOM 1213 CE LYS A 75 -5.346 -1.121 -3.617 1.00 53.21 C ATOM 1214 NZ LYS A 75 -5.139 -2.528 -3.193 1.00 13.33 N ATOM 0 H LYS A 75 -8.631 1.574 -1.282 1.00 11.43 H new ATOM 0 HA LYS A 75 -8.336 -0.546 0.507 1.00 75.22 H new ATOM 0 HB2 LYS A 75 -6.386 1.475 -0.642 1.00 70.34 H new ATOM 0 HB3 LYS A 75 -5.871 0.124 0.348 1.00 70.34 H new ATOM 0 HG2 LYS A 75 -6.640 -1.481 -1.260 1.00 3.44 H new ATOM 0 HG3 LYS A 75 -7.538 -0.269 -2.153 1.00 3.44 H new ATOM 0 HD2 LYS A 75 -5.440 0.857 -2.794 1.00 54.10 H new ATOM 0 HD3 LYS A 75 -4.511 -0.275 -1.832 1.00 54.10 H new ATOM 0 HE2 LYS A 75 -6.269 -1.049 -4.193 1.00 53.21 H new ATOM 0 HE3 LYS A 75 -4.533 -0.819 -4.278 1.00 53.21 H new ATOM 0 HZ1 LYS A 75 -5.048 -3.134 -4.033 1.00 13.33 H new ATOM 0 HZ2 LYS A 75 -4.272 -2.595 -2.622 1.00 13.33 H new ATOM 0 HZ3 LYS A 75 -5.952 -2.843 -2.626 1.00 13.33 H new ATOM 1228 N GLN A 76 -7.627 2.416 1.799 1.00 64.44 N ATOM 1229 CA GLN A 76 -7.445 3.141 3.056 1.00 52.22 C ATOM 1230 C GLN A 76 -8.661 2.986 3.971 1.00 45.22 C ATOM 1231 O GLN A 76 -8.546 3.108 5.194 1.00 73.31 O ATOM 1232 CB GLN A 76 -7.181 4.623 2.777 1.00 70.21 C ATOM 1233 CG GLN A 76 -5.840 4.882 2.110 1.00 0.33 C ATOM 1234 CD GLN A 76 -4.672 4.410 2.953 1.00 50.45 C ATOM 1235 OE1 GLN A 76 -4.732 4.414 4.181 1.00 1.54 O ATOM 1236 NE2 GLN A 76 -3.601 3.995 2.299 1.00 73.03 N ATOM 0 H GLN A 76 -7.584 3.004 0.967 1.00 64.44 H new ATOM 0 HA GLN A 76 -6.583 2.713 3.568 1.00 52.22 H new ATOM 0 HB2 GLN A 76 -7.976 5.013 2.141 1.00 70.21 H new ATOM 0 HB3 GLN A 76 -7.224 5.175 3.716 1.00 70.21 H new ATOM 0 HG2 GLN A 76 -5.815 4.377 1.144 1.00 0.33 H new ATOM 0 HG3 GLN A 76 -5.735 5.949 1.915 1.00 0.33 H new ATOM 0 HE21 GLN A 76 -3.590 4.007 1.279 1.00 73.03 H new ATOM 0 HE22 GLN A 76 -2.786 3.663 2.814 1.00 73.03 H new ATOM 1245 N ARG A 77 -9.820 2.708 3.377 1.00 73.25 N ATOM 1246 CA ARG A 77 -11.044 2.501 4.143 1.00 32.04 C ATOM 1247 C ARG A 77 -10.898 1.292 5.067 1.00 72.11 C ATOM 1248 O ARG A 77 -10.868 1.445 6.286 1.00 3.31 O ATOM 1249 CB ARG A 77 -12.248 2.305 3.217 1.00 34.35 C ATOM 1250 CG ARG A 77 -12.538 3.483 2.297 1.00 44.25 C ATOM 1251 CD ARG A 77 -13.074 4.682 3.058 1.00 63.42 C ATOM 1252 NE ARG A 77 -13.556 5.725 2.156 1.00 21.42 N ATOM 1253 CZ ARG A 77 -14.836 6.092 2.051 1.00 62.20 C ATOM 1254 NH1 ARG A 77 -15.763 5.529 2.821 1.00 42.44 N ATOM 1255 NH2 ARG A 77 -15.183 7.029 1.180 1.00 2.54 N ATOM 0 H ARG A 77 -9.936 2.621 2.367 1.00 73.25 H new ATOM 0 HA ARG A 77 -11.214 3.393 4.746 1.00 32.04 H new ATOM 0 HB2 ARG A 77 -12.080 1.417 2.607 1.00 34.35 H new ATOM 0 HB3 ARG A 77 -13.131 2.111 3.826 1.00 34.35 H new ATOM 0 HG2 ARG A 77 -11.626 3.766 1.772 1.00 44.25 H new ATOM 0 HG3 ARG A 77 -13.262 3.182 1.540 1.00 44.25 H new ATOM 0 HD2 ARG A 77 -13.885 4.364 3.713 1.00 63.42 H new ATOM 0 HD3 ARG A 77 -12.289 5.088 3.697 1.00 63.42 H new ATOM 0 HE ARG A 77 -12.872 6.203 1.569 1.00 21.42 H new ATOM 0 HH11 ARG A 77 -15.498 4.812 3.497 1.00 42.44 H new ATOM 0 HH12 ARG A 77 -16.739 5.814 2.736 1.00 42.44 H new ATOM 0 HH21 ARG A 77 -14.474 7.467 0.593 1.00 2.54 H new ATOM 0 HH22 ARG A 77 -16.160 7.312 1.097 1.00 2.54 H new ATOM 1269 N LEU A 78 -10.783 0.090 4.487 1.00 62.52 N ATOM 1270 CA LEU A 78 -10.652 -1.125 5.302 1.00 14.15 C ATOM 1271 C LEU A 78 -9.327 -1.119 6.044 1.00 74.10 C ATOM 1272 O LEU A 78 -9.225 -1.660 7.142 1.00 40.01 O ATOM 1273 CB LEU A 78 -10.715 -2.414 4.477 1.00 4.53 C ATOM 1274 CG LEU A 78 -11.551 -2.383 3.203 1.00 0.52 C ATOM 1275 CD1 LEU A 78 -10.694 -2.007 2.005 1.00 45.13 C ATOM 1276 CD2 LEU A 78 -12.194 -3.736 2.982 1.00 62.45 C ATOM 0 H LEU A 78 -10.778 -0.067 3.479 1.00 62.52 H new ATOM 0 HA LEU A 78 -11.497 -1.113 5.991 1.00 14.15 H new ATOM 0 HB2 LEU A 78 -9.697 -2.693 4.206 1.00 4.53 H new ATOM 0 HB3 LEU A 78 -11.103 -3.207 5.117 1.00 4.53 H new ATOM 0 HG LEU A 78 -12.330 -1.628 3.314 1.00 0.52 H new ATOM 0 HD11 LEU A 78 -11.311 -1.991 1.107 1.00 45.13 H new ATOM 0 HD12 LEU A 78 -10.259 -1.020 2.164 1.00 45.13 H new ATOM 0 HD13 LEU A 78 -9.896 -2.740 1.884 1.00 45.13 H new ATOM 0 HD21 LEU A 78 -12.791 -3.711 2.070 1.00 62.45 H new ATOM 0 HD22 LEU A 78 -11.419 -4.496 2.887 1.00 62.45 H new ATOM 0 HD23 LEU A 78 -12.836 -3.977 3.829 1.00 62.45 H new ATOM 1288 N LEU A 79 -8.315 -0.516 5.420 1.00 44.50 N ATOM 1289 CA LEU A 79 -6.971 -0.450 5.986 1.00 23.14 C ATOM 1290 C LEU A 79 -7.017 0.090 7.411 1.00 61.23 C ATOM 1291 O LEU A 79 -6.399 -0.463 8.315 1.00 43.31 O ATOM 1292 CB LEU A 79 -6.071 0.415 5.080 1.00 14.32 C ATOM 1293 CG LEU A 79 -4.570 0.442 5.404 1.00 71.31 C ATOM 1294 CD1 LEU A 79 -4.263 1.496 6.452 1.00 34.35 C ATOM 1295 CD2 LEU A 79 -4.091 -0.928 5.864 1.00 44.31 C ATOM 0 H LEU A 79 -8.405 -0.062 4.511 1.00 44.50 H new ATOM 0 HA LEU A 79 -6.547 -1.453 6.033 1.00 23.14 H new ATOM 0 HB2 LEU A 79 -6.189 0.066 4.054 1.00 14.32 H new ATOM 0 HB3 LEU A 79 -6.443 1.439 5.113 1.00 14.32 H new ATOM 0 HG LEU A 79 -4.033 0.702 4.492 1.00 71.31 H new ATOM 0 HD11 LEU A 79 -3.194 1.497 6.665 1.00 34.35 H new ATOM 0 HD12 LEU A 79 -4.559 2.477 6.079 1.00 34.35 H new ATOM 0 HD13 LEU A 79 -4.815 1.273 7.365 1.00 34.35 H new ATOM 0 HD21 LEU A 79 -3.025 -0.885 6.088 1.00 44.31 H new ATOM 0 HD22 LEU A 79 -4.638 -1.223 6.759 1.00 44.31 H new ATOM 0 HD23 LEU A 79 -4.266 -1.659 5.075 1.00 44.31 H new ATOM 1307 N LYS A 80 -7.781 1.148 7.617 1.00 35.31 N ATOM 1308 CA LYS A 80 -7.924 1.717 8.945 1.00 63.32 C ATOM 1309 C LYS A 80 -8.828 0.859 9.815 1.00 73.32 C ATOM 1310 O LYS A 80 -8.641 0.785 11.025 1.00 3.42 O ATOM 1311 CB LYS A 80 -8.463 3.145 8.883 1.00 20.24 C ATOM 1312 CG LYS A 80 -7.400 4.201 9.149 1.00 1.51 C ATOM 1313 CD LYS A 80 -6.703 3.966 10.488 1.00 10.33 C ATOM 1314 CE LYS A 80 -7.669 4.048 11.667 1.00 71.54 C ATOM 1315 NZ LYS A 80 -8.166 5.432 11.897 1.00 71.33 N ATOM 0 H LYS A 80 -8.308 1.628 6.888 1.00 35.31 H new ATOM 0 HA LYS A 80 -6.931 1.742 9.393 1.00 63.32 H new ATOM 0 HB2 LYS A 80 -8.900 3.319 7.900 1.00 20.24 H new ATOM 0 HB3 LYS A 80 -9.265 3.255 9.612 1.00 20.24 H new ATOM 0 HG2 LYS A 80 -6.663 4.188 8.346 1.00 1.51 H new ATOM 0 HG3 LYS A 80 -7.858 5.190 9.144 1.00 1.51 H new ATOM 0 HD2 LYS A 80 -6.226 2.986 10.480 1.00 10.33 H new ATOM 0 HD3 LYS A 80 -5.912 4.704 10.618 1.00 10.33 H new ATOM 0 HE2 LYS A 80 -8.516 3.386 11.486 1.00 71.54 H new ATOM 0 HE3 LYS A 80 -7.170 3.689 12.568 1.00 71.54 H new ATOM 0 HZ1 LYS A 80 -8.791 5.443 12.728 1.00 71.33 H new ATOM 0 HZ2 LYS A 80 -7.360 6.067 12.063 1.00 71.33 H new ATOM 0 HZ3 LYS A 80 -8.695 5.754 11.061 1.00 71.33 H new ATOM 1329 N LEU A 81 -9.788 0.190 9.195 1.00 32.44 N ATOM 1330 CA LEU A 81 -10.745 -0.625 9.931 1.00 61.55 C ATOM 1331 C LEU A 81 -10.059 -1.815 10.589 1.00 62.34 C ATOM 1332 O LEU A 81 -10.371 -2.163 11.723 1.00 24.45 O ATOM 1333 CB LEU A 81 -11.872 -1.097 9.008 1.00 74.55 C ATOM 1334 CG LEU A 81 -12.699 0.022 8.370 1.00 42.13 C ATOM 1335 CD1 LEU A 81 -13.786 -0.557 7.483 1.00 60.54 C ATOM 1336 CD2 LEU A 81 -13.308 0.920 9.435 1.00 0.11 C ATOM 0 H LEU A 81 -9.926 0.195 8.184 1.00 32.44 H new ATOM 0 HA LEU A 81 -11.178 -0.008 10.718 1.00 61.55 H new ATOM 0 HB2 LEU A 81 -11.440 -1.706 8.214 1.00 74.55 H new ATOM 0 HB3 LEU A 81 -12.541 -1.743 9.577 1.00 74.55 H new ATOM 0 HG LEU A 81 -12.032 0.625 7.754 1.00 42.13 H new ATOM 0 HD11 LEU A 81 -14.363 0.254 7.038 1.00 60.54 H new ATOM 0 HD12 LEU A 81 -13.331 -1.154 6.693 1.00 60.54 H new ATOM 0 HD13 LEU A 81 -14.446 -1.187 8.080 1.00 60.54 H new ATOM 0 HD21 LEU A 81 -13.891 1.707 8.957 1.00 0.11 H new ATOM 0 HD22 LEU A 81 -13.957 0.329 10.081 1.00 0.11 H new ATOM 0 HD23 LEU A 81 -12.513 1.368 10.031 1.00 0.11 H new ATOM 1348 N LEU A 82 -9.111 -2.424 9.890 1.00 31.44 N ATOM 1349 CA LEU A 82 -8.397 -3.578 10.429 1.00 54.23 C ATOM 1350 C LEU A 82 -7.281 -3.157 11.387 1.00 20.31 C ATOM 1351 O LEU A 82 -6.862 -3.938 12.241 1.00 53.44 O ATOM 1352 CB LEU A 82 -7.860 -4.460 9.293 1.00 32.41 C ATOM 1353 CG LEU A 82 -7.137 -3.727 8.160 1.00 30.02 C ATOM 1354 CD1 LEU A 82 -5.630 -3.807 8.314 1.00 70.03 C ATOM 1355 CD2 LEU A 82 -7.560 -4.289 6.819 1.00 52.23 C ATOM 0 H LEU A 82 -8.818 -2.142 8.954 1.00 31.44 H new ATOM 0 HA LEU A 82 -9.106 -4.168 11.009 1.00 54.23 H new ATOM 0 HB2 LEU A 82 -7.175 -5.192 9.721 1.00 32.41 H new ATOM 0 HB3 LEU A 82 -8.695 -5.016 8.865 1.00 32.41 H new ATOM 0 HG LEU A 82 -7.419 -2.675 8.211 1.00 30.02 H new ATOM 0 HD11 LEU A 82 -5.151 -3.275 7.491 1.00 70.03 H new ATOM 0 HD12 LEU A 82 -5.336 -3.352 9.260 1.00 70.03 H new ATOM 0 HD13 LEU A 82 -5.318 -4.851 8.301 1.00 70.03 H new ATOM 0 HD21 LEU A 82 -7.039 -3.759 6.022 1.00 52.23 H new ATOM 0 HD22 LEU A 82 -7.311 -5.349 6.774 1.00 52.23 H new ATOM 0 HD23 LEU A 82 -8.636 -4.164 6.695 1.00 52.23 H new ATOM 1367 N GLU A 83 -6.816 -1.918 11.260 1.00 12.04 N ATOM 1368 CA GLU A 83 -5.808 -1.383 12.176 1.00 3.14 C ATOM 1369 C GLU A 83 -6.460 -0.885 13.460 1.00 10.52 C ATOM 1370 O GLU A 83 -5.920 -1.044 14.554 1.00 63.31 O ATOM 1371 CB GLU A 83 -5.034 -0.241 11.515 1.00 61.22 C ATOM 1372 CG GLU A 83 -4.141 -0.688 10.371 1.00 45.34 C ATOM 1373 CD GLU A 83 -3.108 -1.702 10.809 1.00 55.43 C ATOM 1374 OE1 GLU A 83 -2.250 -1.359 11.651 1.00 24.15 O ATOM 1375 OE2 GLU A 83 -3.141 -2.845 10.316 1.00 71.51 O ATOM 0 H GLU A 83 -7.118 -1.266 10.536 1.00 12.04 H new ATOM 0 HA GLU A 83 -5.114 -2.187 12.421 1.00 3.14 H new ATOM 0 HB2 GLU A 83 -5.743 0.498 11.143 1.00 61.22 H new ATOM 0 HB3 GLU A 83 -4.422 0.255 12.269 1.00 61.22 H new ATOM 0 HG2 GLU A 83 -4.756 -1.118 9.580 1.00 45.34 H new ATOM 0 HG3 GLU A 83 -3.637 0.180 9.946 1.00 45.34 H new ATOM 1382 N ASP A 84 -7.631 -0.289 13.312 1.00 10.22 N ATOM 1383 CA ASP A 84 -8.380 0.254 14.441 1.00 40.24 C ATOM 1384 C ASP A 84 -9.191 -0.845 15.103 1.00 32.10 C ATOM 1385 O ASP A 84 -9.592 -0.728 16.262 1.00 40.30 O ATOM 1386 CB ASP A 84 -9.315 1.372 13.963 1.00 62.22 C ATOM 1387 CG ASP A 84 -10.154 1.964 15.077 1.00 33.20 C ATOM 1388 OD1 ASP A 84 -9.675 2.902 15.747 1.00 32.25 O ATOM 1389 OD2 ASP A 84 -11.296 1.501 15.281 1.00 25.32 O ATOM 0 H ASP A 84 -8.091 -0.166 12.410 1.00 10.22 H new ATOM 0 HA ASP A 84 -7.676 0.664 15.165 1.00 40.24 H new ATOM 0 HB2 ASP A 84 -8.721 2.163 13.505 1.00 62.22 H new ATOM 0 HB3 ASP A 84 -9.975 0.979 13.189 1.00 62.22 H new ATOM 1394 N LYS A 85 -9.404 -1.924 14.351 1.00 12.22 N ATOM 1395 CA LYS A 85 -10.245 -3.028 14.783 1.00 24.14 C ATOM 1396 C LYS A 85 -11.688 -2.554 14.911 1.00 30.52 C ATOM 1397 O LYS A 85 -12.375 -2.827 15.895 1.00 1.31 O ATOM 1398 CB LYS A 85 -9.721 -3.633 16.088 1.00 35.31 C ATOM 1399 CG LYS A 85 -8.307 -4.188 15.961 1.00 65.13 C ATOM 1400 CD LYS A 85 -8.252 -5.338 14.966 1.00 11.31 C ATOM 1401 CE LYS A 85 -6.883 -6.004 14.936 1.00 72.40 C ATOM 1402 NZ LYS A 85 -5.800 -5.061 14.540 1.00 21.01 N ATOM 0 H LYS A 85 -8.996 -2.053 13.425 1.00 12.22 H new ATOM 0 HA LYS A 85 -10.215 -3.819 14.034 1.00 24.14 H new ATOM 0 HB2 LYS A 85 -9.738 -2.872 16.868 1.00 35.31 H new ATOM 0 HB3 LYS A 85 -10.391 -4.431 16.407 1.00 35.31 H new ATOM 0 HG2 LYS A 85 -7.630 -3.395 15.642 1.00 65.13 H new ATOM 0 HG3 LYS A 85 -7.960 -4.531 16.936 1.00 65.13 H new ATOM 0 HD2 LYS A 85 -9.009 -6.078 15.226 1.00 11.31 H new ATOM 0 HD3 LYS A 85 -8.496 -4.968 13.970 1.00 11.31 H new ATOM 0 HE2 LYS A 85 -6.661 -6.415 15.921 1.00 72.40 H new ATOM 0 HE3 LYS A 85 -6.905 -6.841 14.238 1.00 72.40 H new ATOM 0 HZ1 LYS A 85 -4.931 -5.596 14.337 1.00 21.01 H new ATOM 0 HZ2 LYS A 85 -6.090 -4.536 13.690 1.00 21.01 H new ATOM 0 HZ3 LYS A 85 -5.621 -4.392 15.316 1.00 21.01 H new ATOM 1416 N SER A 86 -12.129 -1.838 13.884 1.00 63.40 N ATOM 1417 CA SER A 86 -13.485 -1.342 13.809 1.00 21.32 C ATOM 1418 C SER A 86 -14.415 -2.450 13.320 1.00 74.14 C ATOM 1419 O SER A 86 -14.107 -3.146 12.349 1.00 32.45 O ATOM 1420 CB SER A 86 -13.546 -0.152 12.853 1.00 10.34 C ATOM 1421 OG SER A 86 -12.420 0.702 13.007 1.00 2.44 O ATOM 0 H SER A 86 -11.551 -1.588 13.082 1.00 63.40 H new ATOM 0 HA SER A 86 -13.805 -1.021 14.800 1.00 21.32 H new ATOM 0 HB2 SER A 86 -13.592 -0.512 11.825 1.00 10.34 H new ATOM 0 HB3 SER A 86 -14.460 0.414 13.034 1.00 10.34 H new ATOM 0 HG SER A 86 -12.220 0.811 13.960 1.00 2.44 H new ATOM 1427 N ASN A 87 -15.555 -2.596 13.977 1.00 41.34 N ATOM 1428 CA ASN A 87 -16.504 -3.666 13.662 1.00 22.42 C ATOM 1429 C ASN A 87 -17.097 -3.519 12.262 1.00 35.51 C ATOM 1430 O ASN A 87 -17.747 -4.432 11.766 1.00 21.15 O ATOM 1431 CB ASN A 87 -17.646 -3.696 14.679 1.00 64.32 C ATOM 1432 CG ASN A 87 -18.544 -2.474 14.595 1.00 12.45 C ATOM 1433 OD1 ASN A 87 -18.091 -1.370 14.295 1.00 15.50 O ATOM 1434 ND2 ASN A 87 -19.825 -2.668 14.843 1.00 65.01 N ATOM 0 H ASN A 87 -15.852 -1.985 14.738 1.00 41.34 H new ATOM 0 HA ASN A 87 -15.941 -4.599 13.704 1.00 22.42 H new ATOM 0 HB2 ASN A 87 -18.245 -4.593 14.519 1.00 64.32 H new ATOM 0 HB3 ASN A 87 -17.229 -3.766 15.684 1.00 64.32 H new ATOM 0 HD21 ASN A 87 -20.479 -1.887 14.789 1.00 65.01 H new ATOM 0 HD22 ASN A 87 -20.162 -3.599 15.089 1.00 65.01 H new ATOM 1441 N LEU A 88 -16.867 -2.377 11.629 1.00 11.01 N ATOM 1442 CA LEU A 88 -17.448 -2.093 10.319 1.00 12.21 C ATOM 1443 C LEU A 88 -17.064 -3.157 9.295 1.00 63.01 C ATOM 1444 O LEU A 88 -17.887 -3.569 8.480 1.00 21.34 O ATOM 1445 CB LEU A 88 -17.031 -0.708 9.815 1.00 45.41 C ATOM 1446 CG LEU A 88 -17.612 0.482 10.590 1.00 12.50 C ATOM 1447 CD1 LEU A 88 -19.087 0.259 10.890 1.00 33.45 C ATOM 1448 CD2 LEU A 88 -16.834 0.735 11.873 1.00 71.53 C ATOM 0 H LEU A 88 -16.281 -1.629 12.000 1.00 11.01 H new ATOM 0 HA LEU A 88 -18.531 -2.108 10.441 1.00 12.21 H new ATOM 0 HB2 LEU A 88 -15.943 -0.642 9.845 1.00 45.41 H new ATOM 0 HB3 LEU A 88 -17.327 -0.617 8.770 1.00 45.41 H new ATOM 0 HG LEU A 88 -17.519 1.368 9.962 1.00 12.50 H new ATOM 0 HD11 LEU A 88 -19.480 1.114 11.440 1.00 33.45 H new ATOM 0 HD12 LEU A 88 -19.635 0.146 9.955 1.00 33.45 H new ATOM 0 HD13 LEU A 88 -19.204 -0.643 11.490 1.00 33.45 H new ATOM 0 HD21 LEU A 88 -17.269 1.584 12.401 1.00 71.53 H new ATOM 0 HD22 LEU A 88 -16.881 -0.150 12.508 1.00 71.53 H new ATOM 0 HD23 LEU A 88 -15.794 0.952 11.631 1.00 71.53 H new ATOM 1460 N LEU A 89 -15.825 -3.612 9.346 1.00 71.24 N ATOM 1461 CA LEU A 89 -15.377 -4.660 8.442 1.00 43.54 C ATOM 1462 C LEU A 89 -15.197 -5.974 9.192 1.00 32.24 C ATOM 1463 O LEU A 89 -15.242 -7.057 8.609 1.00 24.24 O ATOM 1464 CB LEU A 89 -14.070 -4.250 7.752 1.00 11.44 C ATOM 1465 CG LEU A 89 -13.352 -5.379 7.019 1.00 21.41 C ATOM 1466 CD1 LEU A 89 -14.126 -5.802 5.782 1.00 51.34 C ATOM 1467 CD2 LEU A 89 -11.935 -4.961 6.675 1.00 11.42 C ATOM 0 H LEU A 89 -15.115 -3.277 9.997 1.00 71.24 H new ATOM 0 HA LEU A 89 -16.140 -4.804 7.677 1.00 43.54 H new ATOM 0 HB2 LEU A 89 -14.286 -3.453 7.040 1.00 11.44 H new ATOM 0 HB3 LEU A 89 -13.395 -3.835 8.501 1.00 11.44 H new ATOM 0 HG LEU A 89 -13.298 -6.246 7.678 1.00 21.41 H new ATOM 0 HD11 LEU A 89 -13.593 -6.608 5.277 1.00 51.34 H new ATOM 0 HD12 LEU A 89 -15.117 -6.149 6.074 1.00 51.34 H new ATOM 0 HD13 LEU A 89 -14.224 -4.953 5.106 1.00 51.34 H new ATOM 0 HD21 LEU A 89 -11.432 -5.775 6.152 1.00 11.42 H new ATOM 0 HD22 LEU A 89 -11.961 -4.079 6.034 1.00 11.42 H new ATOM 0 HD23 LEU A 89 -11.392 -4.728 7.591 1.00 11.42 H new ATOM 1479 N LEU A 90 -15.035 -5.866 10.493 1.00 20.50 N ATOM 1480 CA LEU A 90 -14.640 -7.000 11.314 1.00 63.24 C ATOM 1481 C LEU A 90 -15.778 -7.489 12.211 1.00 42.35 C ATOM 1482 O LEU A 90 -15.529 -8.105 13.246 1.00 20.20 O ATOM 1483 CB LEU A 90 -13.450 -6.581 12.170 1.00 34.24 C ATOM 1484 CG LEU A 90 -12.384 -5.776 11.426 1.00 62.12 C ATOM 1485 CD1 LEU A 90 -11.521 -5.020 12.408 1.00 30.30 C ATOM 1486 CD2 LEU A 90 -11.527 -6.678 10.556 1.00 60.02 C ATOM 0 H LEU A 90 -15.171 -4.999 11.012 1.00 20.50 H new ATOM 0 HA LEU A 90 -14.375 -7.828 10.656 1.00 63.24 H new ATOM 0 HB2 LEU A 90 -13.814 -5.989 13.010 1.00 34.24 H new ATOM 0 HB3 LEU A 90 -12.986 -7.475 12.587 1.00 34.24 H new ATOM 0 HG LEU A 90 -12.890 -5.062 10.776 1.00 62.12 H new ATOM 0 HD11 LEU A 90 -10.766 -4.451 11.866 1.00 30.30 H new ATOM 0 HD12 LEU A 90 -12.142 -4.338 12.988 1.00 30.30 H new ATOM 0 HD13 LEU A 90 -11.031 -5.725 13.080 1.00 30.30 H new ATOM 0 HD21 LEU A 90 -10.777 -6.079 10.039 1.00 60.02 H new ATOM 0 HD22 LEU A 90 -11.030 -7.421 11.180 1.00 60.02 H new ATOM 0 HD23 LEU A 90 -12.157 -7.183 9.824 1.00 60.02 H new ATOM 1498 N TYR A 91 -17.022 -7.225 11.823 1.00 65.43 N ATOM 1499 CA TYR A 91 -18.161 -7.678 12.615 1.00 12.33 C ATOM 1500 C TYR A 91 -18.354 -9.184 12.480 1.00 0.22 C ATOM 1501 O TYR A 91 -17.907 -9.801 11.503 1.00 71.55 O ATOM 1502 CB TYR A 91 -19.451 -6.951 12.216 1.00 10.10 C ATOM 1503 CG TYR A 91 -19.937 -7.247 10.812 1.00 63.05 C ATOM 1504 CD1 TYR A 91 -20.593 -8.440 10.512 1.00 12.23 C ATOM 1505 CD2 TYR A 91 -19.748 -6.328 9.789 1.00 45.22 C ATOM 1506 CE1 TYR A 91 -21.041 -8.704 9.235 1.00 5.21 C ATOM 1507 CE2 TYR A 91 -20.197 -6.584 8.509 1.00 2.54 C ATOM 1508 CZ TYR A 91 -20.842 -7.773 8.237 1.00 53.34 C ATOM 1509 OH TYR A 91 -21.294 -8.033 6.965 1.00 75.44 O ATOM 0 H TYR A 91 -17.265 -6.708 10.978 1.00 65.43 H new ATOM 0 HA TYR A 91 -17.942 -7.440 13.656 1.00 12.33 H new ATOM 0 HB2 TYR A 91 -20.237 -7.220 12.922 1.00 10.10 H new ATOM 0 HB3 TYR A 91 -19.291 -5.877 12.311 1.00 10.10 H new ATOM 0 HD1 TYR A 91 -20.753 -9.169 11.292 1.00 12.23 H new ATOM 0 HD2 TYR A 91 -19.241 -5.397 9.998 1.00 45.22 H new ATOM 0 HE1 TYR A 91 -21.545 -9.634 9.018 1.00 5.21 H new ATOM 0 HE2 TYR A 91 -20.044 -5.857 7.725 1.00 2.54 H new ATOM 0 HH TYR A 91 -21.076 -7.278 6.380 1.00 75.44 H new ATOM 1519 N SER A 92 -19.042 -9.756 13.454 1.00 44.45 N ATOM 1520 CA SER A 92 -19.307 -11.181 13.477 1.00 63.14 C ATOM 1521 C SER A 92 -20.531 -11.512 12.628 1.00 51.42 C ATOM 1522 O SER A 92 -21.512 -10.771 12.611 1.00 1.13 O ATOM 1523 CB SER A 92 -19.518 -11.651 14.918 1.00 64.21 C ATOM 1524 OG SER A 92 -18.423 -11.273 15.738 1.00 10.31 O ATOM 0 H SER A 92 -19.430 -9.246 14.247 1.00 44.45 H new ATOM 0 HA SER A 92 -18.447 -11.702 13.057 1.00 63.14 H new ATOM 0 HB2 SER A 92 -20.439 -11.223 15.314 1.00 64.21 H new ATOM 0 HB3 SER A 92 -19.636 -12.734 14.938 1.00 64.21 H new ATOM 0 HG SER A 92 -18.579 -11.582 16.655 1.00 10.31 H new ATOM 1530 N CYS A 93 -20.451 -12.623 11.920 1.00 14.35 N ATOM 1531 CA CYS A 93 -21.518 -13.060 11.034 1.00 62.00 C ATOM 1532 C CYS A 93 -21.596 -14.576 11.047 1.00 2.53 C ATOM 1533 O CYS A 93 -20.638 -15.235 11.444 1.00 4.01 O ATOM 1534 CB CYS A 93 -21.217 -12.607 9.624 1.00 62.02 C ATOM 1535 SG CYS A 93 -19.996 -13.664 8.797 1.00 0.11 S ATOM 0 H CYS A 93 -19.646 -13.249 11.942 1.00 14.35 H new ATOM 0 HA CYS A 93 -22.462 -12.633 11.372 1.00 62.00 H new ATOM 0 HB2 CYS A 93 -22.140 -12.601 9.043 1.00 62.02 H new ATOM 0 HB3 CYS A 93 -20.848 -11.582 9.647 1.00 62.02 H new ATOM 0 HG CYS A 93 -20.548 -14.245 7.773 1.00 0.11 H new ATOM 1540 N ASN A 94 -22.702 -15.134 10.578 1.00 62.32 N ATOM 1541 CA ASN A 94 -22.854 -16.581 10.572 1.00 21.45 C ATOM 1542 C ASN A 94 -22.730 -17.148 9.159 1.00 74.14 C ATOM 1543 O ASN A 94 -23.721 -17.572 8.568 1.00 63.14 O ATOM 1544 CB ASN A 94 -24.207 -16.985 11.175 1.00 14.14 C ATOM 1545 CG ASN A 94 -24.259 -18.451 11.576 1.00 3.45 C ATOM 1546 OD1 ASN A 94 -23.967 -18.801 12.720 1.00 41.20 O ATOM 1547 ND2 ASN A 94 -24.618 -19.318 10.641 1.00 41.32 N ATOM 0 H ASN A 94 -23.496 -14.616 10.202 1.00 62.32 H new ATOM 0 HA ASN A 94 -22.051 -16.997 11.181 1.00 21.45 H new ATOM 0 HB2 ASN A 94 -24.409 -16.366 12.049 1.00 14.14 H new ATOM 0 HB3 ASN A 94 -24.997 -16.783 10.452 1.00 14.14 H new ATOM 0 HD21 ASN A 94 -24.660 -20.314 10.858 1.00 41.32 H new ATOM 0 HD22 ASN A 94 -24.853 -18.990 9.704 1.00 41.32 H new ATOM 1554 N CYS A 95 -21.527 -17.122 8.588 1.00 33.33 N ATOM 1555 CA CYS A 95 -21.299 -17.838 7.341 1.00 25.02 C ATOM 1556 C CYS A 95 -20.956 -19.295 7.625 1.00 4.42 C ATOM 1557 O CYS A 95 -21.335 -20.194 6.875 1.00 74.11 O ATOM 1558 CB CYS A 95 -20.218 -17.173 6.506 1.00 50.40 C ATOM 1559 SG CYS A 95 -20.805 -15.686 5.645 1.00 14.31 S ATOM 0 H CYS A 95 -20.717 -16.626 8.959 1.00 33.33 H new ATOM 0 HA CYS A 95 -22.220 -17.806 6.759 1.00 25.02 H new ATOM 0 HB2 CYS A 95 -19.380 -16.907 7.151 1.00 50.40 H new ATOM 0 HB3 CYS A 95 -19.842 -17.887 5.773 1.00 50.40 H new ATOM 0 HG CYS A 95 -20.371 -15.694 4.420 1.00 14.31 H new