USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=18 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 64 SER OG : rot -80:sc= 0.987 USER MOD Set 1.2: A 69 ASN : amide:sc= 0.674 X(o=1.7,f=2) USER MOD Set 2.1: A 18 CYS SG : rot 29:sc= 0.19 USER MOD Set 2.2: A 55 HIS : no HD1:sc= -0.109 K(o=0.96,f=0.28) USER MOD Set 2.3: A 91 TYR OH : rot 130:sc= -0.0889 USER MOD Set 2.4: A 93 CYS SG : rot 119:sc= 0.193 USER MOD Set 2.5: A 95 CYS SG : rot -142:sc= 0.778 USER MOD Single : A 7 HIS : no HD1:sc= -0.0589 X(o=-0.059,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 11 GLN : amide:sc= -0.508 X(o=-0.51,f=-0.22) USER MOD Single : A 14 LYS NZ :NH3+ 161:sc= 1.2 (180deg=0.84) USER MOD Single : A 16 GLN : amide:sc= -0.25 K(o=-0.25,f=-1.1!) 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 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 27:sc= -2.24! USER MOD Single : A 57 ASN : amide:sc= 1.07 K(o=1.1,f=-0.037) USER MOD Single : A 61 TYR OH : rot 130:sc= -0.571 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 MET CE :methyl -166:sc= 0 (180deg=-0.265) USER MOD Single : A 75 LYS NZ :NH3+ 179:sc= 1.11 (180deg=1.04) USER MOD Single : A 76 GLN : amide:sc= -0.256 K(o=-0.26,f=-0.84) USER MOD Single : A 80 LYS NZ :NH3+ -165:sc= 0.11 (180deg=-0.000488) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc=-0.000949 X(o=-0.00095,f=-0.12) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= 0 X(o=0,f=0.23) USER MOD ----------------------------------------------------------------- ATOM 59 N ILE A 5 -4.327 -4.566 0.620 1.00 31.04 N ATOM 60 CA ILE A 5 -5.353 -4.543 1.641 1.00 63.42 C ATOM 61 C ILE A 5 -6.307 -5.721 1.444 1.00 31.11 C ATOM 62 O ILE A 5 -6.829 -6.285 2.406 1.00 24.53 O ATOM 63 CB ILE A 5 -6.120 -3.195 1.594 1.00 20.22 C ATOM 64 CG1 ILE A 5 -6.369 -2.655 3.002 1.00 44.22 C ATOM 65 CG2 ILE A 5 -7.434 -3.329 0.832 1.00 13.53 C ATOM 66 CD1 ILE A 5 -7.254 -3.531 3.851 1.00 55.12 C ATOM 0 HA ILE A 5 -4.888 -4.636 2.622 1.00 63.42 H new ATOM 0 HB ILE A 5 -5.493 -2.481 1.060 1.00 20.22 H new ATOM 0 HG12 ILE A 5 -5.411 -2.529 3.506 1.00 44.22 H new ATOM 0 HG13 ILE A 5 -6.821 -1.666 2.925 1.00 44.22 H new ATOM 0 HG21 ILE A 5 -7.946 -2.367 0.818 1.00 13.53 H new ATOM 0 HG22 ILE A 5 -7.231 -3.647 -0.191 1.00 13.53 H new ATOM 0 HG23 ILE A 5 -8.066 -4.069 1.323 1.00 13.53 H new ATOM 0 HD11 ILE A 5 -7.380 -3.077 4.834 1.00 55.12 H new ATOM 0 HD12 ILE A 5 -8.228 -3.637 3.372 1.00 55.12 H new ATOM 0 HD13 ILE A 5 -6.795 -4.513 3.962 1.00 55.12 H new ATOM 78 N GLU A 6 -6.503 -6.095 0.186 1.00 71.04 N ATOM 79 CA GLU A 6 -7.377 -7.195 -0.169 1.00 14.33 C ATOM 80 C GLU A 6 -6.935 -8.468 0.535 1.00 74.42 C ATOM 81 O GLU A 6 -7.752 -9.187 1.102 1.00 25.45 O ATOM 82 CB GLU A 6 -7.394 -7.408 -1.687 1.00 43.42 C ATOM 83 CG GLU A 6 -7.801 -6.172 -2.483 1.00 35.51 C ATOM 84 CD GLU A 6 -6.648 -5.216 -2.739 1.00 24.31 C ATOM 85 OE1 GLU A 6 -6.289 -4.443 -1.828 1.00 61.23 O ATOM 86 OE2 GLU A 6 -6.094 -5.228 -3.855 1.00 31.25 O ATOM 0 H GLU A 6 -6.059 -5.642 -0.613 1.00 71.04 H new ATOM 0 HA GLU A 6 -8.388 -6.946 0.154 1.00 14.33 H new ATOM 0 HB2 GLU A 6 -6.402 -7.725 -2.010 1.00 43.42 H new ATOM 0 HB3 GLU A 6 -8.081 -8.221 -1.922 1.00 43.42 H new ATOM 0 HG2 GLU A 6 -8.223 -6.486 -3.438 1.00 35.51 H new ATOM 0 HG3 GLU A 6 -8.589 -5.645 -1.945 1.00 35.51 H new ATOM 93 N HIS A 7 -5.633 -8.727 0.521 1.00 73.31 N ATOM 94 CA HIS A 7 -5.085 -9.894 1.198 1.00 51.12 C ATOM 95 C HIS A 7 -5.411 -9.849 2.685 1.00 74.31 C ATOM 96 O HIS A 7 -5.813 -10.854 3.265 1.00 71.55 O ATOM 97 CB HIS A 7 -3.569 -9.995 0.993 1.00 2.25 C ATOM 98 CG HIS A 7 -3.169 -10.370 -0.404 1.00 74.24 C ATOM 99 ND1 HIS A 7 -1.942 -10.076 -0.961 1.00 33.44 N ATOM 100 CD2 HIS A 7 -3.859 -11.047 -1.359 1.00 61.05 C ATOM 101 CE1 HIS A 7 -1.924 -10.572 -2.204 1.00 10.15 C ATOM 102 NE2 HIS A 7 -3.064 -11.171 -2.496 1.00 54.22 N ATOM 0 H HIS A 7 -4.940 -8.146 0.050 1.00 73.31 H new ATOM 0 HA HIS A 7 -5.546 -10.780 0.761 1.00 51.12 H new ATOM 0 HB2 HIS A 7 -3.113 -9.038 1.247 1.00 2.25 H new ATOM 0 HB3 HIS A 7 -3.167 -10.733 1.686 1.00 2.25 H new ATOM 0 HD2 HIS A 7 -4.864 -11.428 -1.253 1.00 61.05 H new ATOM 0 HE1 HIS A 7 -1.086 -10.493 -2.880 1.00 10.15 H new ATOM 0 HE2 HIS A 7 -3.311 -11.630 -3.373 1.00 54.22 H new ATOM 110 N LYS A 8 -5.269 -8.670 3.285 1.00 42.23 N ATOM 111 CA LYS A 8 -5.509 -8.501 4.720 1.00 73.24 C ATOM 112 C LYS A 8 -6.952 -8.850 5.079 1.00 60.25 C ATOM 113 O LYS A 8 -7.203 -9.604 6.026 1.00 45.34 O ATOM 114 CB LYS A 8 -5.226 -7.059 5.153 1.00 3.40 C ATOM 115 CG LYS A 8 -4.004 -6.433 4.500 1.00 30.03 C ATOM 116 CD LYS A 8 -2.746 -7.247 4.738 1.00 1.20 C ATOM 117 CE LYS A 8 -1.551 -6.612 4.048 1.00 24.24 C ATOM 118 NZ LYS A 8 -0.302 -7.396 4.241 1.00 31.34 N ATOM 0 H LYS A 8 -4.989 -7.816 2.802 1.00 42.23 H new ATOM 0 HA LYS A 8 -4.834 -9.178 5.243 1.00 73.24 H new ATOM 0 HB2 LYS A 8 -6.098 -6.447 4.924 1.00 3.40 H new ATOM 0 HB3 LYS A 8 -5.096 -7.037 6.235 1.00 3.40 H new ATOM 0 HG2 LYS A 8 -4.176 -6.338 3.428 1.00 30.03 H new ATOM 0 HG3 LYS A 8 -3.862 -5.425 4.890 1.00 30.03 H new ATOM 0 HD2 LYS A 8 -2.555 -7.324 5.808 1.00 1.20 H new ATOM 0 HD3 LYS A 8 -2.889 -8.262 4.366 1.00 1.20 H new ATOM 0 HE2 LYS A 8 -1.758 -6.519 2.982 1.00 24.24 H new ATOM 0 HE3 LYS A 8 -1.406 -5.603 4.433 1.00 24.24 H new ATOM 0 HZ1 LYS A 8 0.484 -6.922 3.752 1.00 31.34 H new ATOM 0 HZ2 LYS A 8 -0.088 -7.463 5.256 1.00 31.34 H new ATOM 0 HZ3 LYS A 8 -0.428 -8.351 3.850 1.00 31.34 H new ATOM 132 N VAL A 9 -7.893 -8.297 4.317 1.00 22.33 N ATOM 133 CA VAL A 9 -9.313 -8.527 4.555 1.00 21.11 C ATOM 134 C VAL A 9 -9.637 -10.018 4.499 1.00 44.30 C ATOM 135 O VAL A 9 -10.408 -10.527 5.312 1.00 50.40 O ATOM 136 CB VAL A 9 -10.188 -7.768 3.532 1.00 3.12 C ATOM 137 CG1 VAL A 9 -11.666 -7.964 3.828 1.00 63.53 C ATOM 138 CG2 VAL A 9 -9.842 -6.288 3.514 1.00 20.53 C ATOM 0 H VAL A 9 -7.695 -7.684 3.526 1.00 22.33 H new ATOM 0 HA VAL A 9 -9.539 -8.148 5.552 1.00 21.11 H new ATOM 0 HB VAL A 9 -9.979 -8.181 2.545 1.00 3.12 H new ATOM 0 HG11 VAL A 9 -12.259 -7.420 3.094 1.00 63.53 H new ATOM 0 HG12 VAL A 9 -11.910 -9.025 3.777 1.00 63.53 H new ATOM 0 HG13 VAL A 9 -11.890 -7.588 4.826 1.00 63.53 H new ATOM 0 HG21 VAL A 9 -10.471 -5.776 2.786 1.00 20.53 H new ATOM 0 HG22 VAL A 9 -10.011 -5.863 4.503 1.00 20.53 H new ATOM 0 HG23 VAL A 9 -8.795 -6.163 3.240 1.00 20.53 H new ATOM 148 N TYR A 10 -9.021 -10.724 3.559 1.00 62.43 N ATOM 149 CA TYR A 10 -9.240 -12.158 3.432 1.00 54.43 C ATOM 150 C TYR A 10 -8.636 -12.907 4.610 1.00 53.33 C ATOM 151 O TYR A 10 -9.243 -13.837 5.127 1.00 70.02 O ATOM 152 CB TYR A 10 -8.656 -12.695 2.122 1.00 31.12 C ATOM 153 CG TYR A 10 -9.536 -12.466 0.911 1.00 4.31 C ATOM 154 CD1 TYR A 10 -9.669 -11.204 0.350 1.00 43.32 C ATOM 155 CD2 TYR A 10 -10.230 -13.518 0.325 1.00 73.41 C ATOM 156 CE1 TYR A 10 -10.465 -10.992 -0.756 1.00 52.51 C ATOM 157 CE2 TYR A 10 -11.030 -13.315 -0.785 1.00 14.00 C ATOM 158 CZ TYR A 10 -11.143 -12.050 -1.321 1.00 33.31 C ATOM 159 OH TYR A 10 -11.929 -11.841 -2.430 1.00 42.51 O ATOM 0 H TYR A 10 -8.371 -10.330 2.879 1.00 62.43 H new ATOM 0 HA TYR A 10 -10.318 -12.322 3.425 1.00 54.43 H new ATOM 0 HB2 TYR A 10 -7.688 -12.224 1.948 1.00 31.12 H new ATOM 0 HB3 TYR A 10 -8.475 -13.765 2.229 1.00 31.12 H new ATOM 0 HD1 TYR A 10 -9.139 -10.371 0.788 1.00 43.32 H new ATOM 0 HD2 TYR A 10 -10.143 -14.510 0.743 1.00 73.41 H new ATOM 0 HE1 TYR A 10 -10.556 -10.002 -1.177 1.00 52.51 H new ATOM 0 HE2 TYR A 10 -11.563 -14.143 -1.229 1.00 14.00 H new ATOM 0 HH TYR A 10 -12.337 -12.688 -2.706 1.00 42.51 H new ATOM 169 N GLN A 11 -7.456 -12.471 5.043 1.00 75.31 N ATOM 170 CA GLN A 11 -6.711 -13.151 6.103 1.00 12.20 C ATOM 171 C GLN A 11 -7.553 -13.378 7.355 1.00 52.20 C ATOM 172 O GLN A 11 -7.549 -14.470 7.921 1.00 0.11 O ATOM 173 CB GLN A 11 -5.454 -12.360 6.469 1.00 34.03 C ATOM 174 CG GLN A 11 -4.397 -12.342 5.375 1.00 43.31 C ATOM 175 CD GLN A 11 -4.009 -13.728 4.899 1.00 43.44 C ATOM 176 OE1 GLN A 11 -3.087 -14.345 5.428 1.00 11.11 O ATOM 177 NE2 GLN A 11 -4.705 -14.222 3.887 1.00 52.53 N ATOM 0 H GLN A 11 -6.990 -11.642 4.673 1.00 75.31 H new ATOM 0 HA GLN A 11 -6.430 -14.128 5.710 1.00 12.20 H new ATOM 0 HB2 GLN A 11 -5.738 -11.334 6.704 1.00 34.03 H new ATOM 0 HB3 GLN A 11 -5.019 -12.785 7.374 1.00 34.03 H new ATOM 0 HG2 GLN A 11 -4.769 -11.765 4.529 1.00 43.31 H new ATOM 0 HG3 GLN A 11 -3.509 -11.830 5.745 1.00 43.31 H new ATOM 0 HE21 GLN A 11 -5.463 -13.678 3.476 1.00 52.53 H new ATOM 0 HE22 GLN A 11 -4.483 -15.147 3.519 1.00 52.53 H new ATOM 186 N LEU A 12 -8.280 -12.354 7.777 1.00 22.32 N ATOM 187 CA LEU A 12 -9.043 -12.433 9.016 1.00 61.12 C ATOM 188 C LEU A 12 -10.487 -12.844 8.783 1.00 5.13 C ATOM 189 O LEU A 12 -11.013 -13.678 9.511 1.00 34.43 O ATOM 190 CB LEU A 12 -8.966 -11.109 9.789 1.00 31.33 C ATOM 191 CG LEU A 12 -8.671 -9.852 8.960 1.00 40.12 C ATOM 192 CD1 LEU A 12 -9.912 -9.371 8.223 1.00 12.14 C ATOM 193 CD2 LEU A 12 -8.119 -8.750 9.854 1.00 10.41 C ATOM 0 H LEU A 12 -8.358 -11.464 7.285 1.00 22.32 H new ATOM 0 HA LEU A 12 -8.587 -13.216 9.622 1.00 61.12 H new ATOM 0 HB2 LEU A 12 -9.913 -10.961 10.309 1.00 31.33 H new ATOM 0 HB3 LEU A 12 -8.194 -11.204 10.553 1.00 31.33 H new ATOM 0 HG LEU A 12 -7.921 -10.109 8.212 1.00 40.12 H new ATOM 0 HD11 LEU A 12 -9.669 -8.479 7.645 1.00 12.14 H new ATOM 0 HD12 LEU A 12 -10.263 -10.154 7.551 1.00 12.14 H new ATOM 0 HD13 LEU A 12 -10.694 -9.134 8.944 1.00 12.14 H new ATOM 0 HD21 LEU A 12 -7.914 -7.863 9.254 1.00 10.41 H new ATOM 0 HD22 LEU A 12 -8.851 -8.506 10.624 1.00 10.41 H new ATOM 0 HD23 LEU A 12 -7.197 -9.091 10.325 1.00 10.41 H new ATOM 205 N LEU A 13 -11.122 -12.289 7.766 1.00 62.33 N ATOM 206 CA LEU A 13 -12.539 -12.558 7.528 1.00 63.11 C ATOM 207 C LEU A 13 -12.809 -14.025 7.245 1.00 11.12 C ATOM 208 O LEU A 13 -13.784 -14.589 7.745 1.00 40.13 O ATOM 209 CB LEU A 13 -13.074 -11.718 6.382 1.00 43.15 C ATOM 210 CG LEU A 13 -13.277 -10.249 6.705 1.00 13.01 C ATOM 211 CD1 LEU A 13 -14.015 -9.576 5.568 1.00 3.51 C ATOM 212 CD2 LEU A 13 -14.036 -10.102 8.011 1.00 53.21 C ATOM 0 H LEU A 13 -10.689 -11.655 7.095 1.00 62.33 H new ATOM 0 HA LEU A 13 -13.058 -12.287 8.448 1.00 63.11 H new ATOM 0 HB2 LEU A 13 -12.386 -11.798 5.540 1.00 43.15 H new ATOM 0 HB3 LEU A 13 -14.026 -12.138 6.057 1.00 43.15 H new ATOM 0 HG LEU A 13 -12.307 -9.765 6.823 1.00 13.01 H new ATOM 0 HD11 LEU A 13 -14.160 -8.521 5.802 1.00 3.51 H new ATOM 0 HD12 LEU A 13 -13.432 -9.668 4.651 1.00 3.51 H new ATOM 0 HD13 LEU A 13 -14.985 -10.054 5.431 1.00 3.51 H new ATOM 0 HD21 LEU A 13 -14.176 -9.044 8.233 1.00 53.21 H new ATOM 0 HD22 LEU A 13 -15.009 -10.586 7.923 1.00 53.21 H new ATOM 0 HD23 LEU A 13 -13.469 -10.570 8.816 1.00 53.21 H new ATOM 224 N LYS A 14 -11.957 -14.641 6.442 1.00 10.42 N ATOM 225 CA LYS A 14 -12.108 -16.061 6.138 1.00 72.33 C ATOM 226 C LYS A 14 -11.942 -16.885 7.414 1.00 4.20 C ATOM 227 O LYS A 14 -12.535 -17.953 7.562 1.00 43.12 O ATOM 228 CB LYS A 14 -11.090 -16.518 5.083 1.00 14.34 C ATOM 229 CG LYS A 14 -9.687 -16.703 5.634 1.00 10.32 C ATOM 230 CD LYS A 14 -8.766 -17.366 4.628 1.00 43.12 C ATOM 231 CE LYS A 14 -7.382 -17.606 5.211 1.00 30.03 C ATOM 232 NZ LYS A 14 -7.409 -18.544 6.369 1.00 23.43 N ATOM 0 H LYS A 14 -11.161 -14.189 5.992 1.00 10.42 H new ATOM 0 HA LYS A 14 -13.107 -16.216 5.731 1.00 72.33 H new ATOM 0 HB2 LYS A 14 -11.428 -17.459 4.648 1.00 14.34 H new ATOM 0 HB3 LYS A 14 -11.061 -15.785 4.276 1.00 14.34 H new ATOM 0 HG2 LYS A 14 -9.277 -15.733 5.917 1.00 10.32 H new ATOM 0 HG3 LYS A 14 -9.730 -17.307 6.540 1.00 10.32 H new ATOM 0 HD2 LYS A 14 -9.197 -18.315 4.309 1.00 43.12 H new ATOM 0 HD3 LYS A 14 -8.684 -16.739 3.740 1.00 43.12 H new ATOM 0 HE2 LYS A 14 -6.729 -18.008 4.436 1.00 30.03 H new ATOM 0 HE3 LYS A 14 -6.954 -16.655 5.527 1.00 30.03 H new ATOM 0 HZ1 LYS A 14 -6.455 -18.927 6.528 1.00 23.43 H new ATOM 0 HZ2 LYS A 14 -7.724 -18.036 7.220 1.00 23.43 H new ATOM 0 HZ3 LYS A 14 -8.066 -19.324 6.168 1.00 23.43 H new ATOM 246 N ASP A 15 -11.151 -16.357 8.344 1.00 63.21 N ATOM 247 CA ASP A 15 -10.866 -17.042 9.599 1.00 33.34 C ATOM 248 C ASP A 15 -11.991 -16.842 10.602 1.00 32.51 C ATOM 249 O ASP A 15 -12.140 -17.615 11.549 1.00 33.02 O ATOM 250 CB ASP A 15 -9.540 -16.551 10.177 1.00 0.21 C ATOM 251 CG ASP A 15 -8.447 -17.592 10.063 1.00 35.13 C ATOM 252 OD1 ASP A 15 -8.157 -18.036 8.929 1.00 75.52 O ATOM 253 OD2 ASP A 15 -7.896 -17.995 11.106 1.00 61.32 O ATOM 0 H ASP A 15 -10.694 -15.450 8.250 1.00 63.21 H new ATOM 0 HA ASP A 15 -10.788 -18.110 9.394 1.00 33.34 H new ATOM 0 HB2 ASP A 15 -9.232 -15.644 9.656 1.00 0.21 H new ATOM 0 HB3 ASP A 15 -9.678 -16.285 11.225 1.00 0.21 H new ATOM 258 N GLN A 16 -12.781 -15.797 10.398 1.00 54.14 N ATOM 259 CA GLN A 16 -13.969 -15.575 11.215 1.00 44.03 C ATOM 260 C GLN A 16 -15.132 -16.376 10.653 1.00 22.11 C ATOM 261 O GLN A 16 -16.243 -16.356 11.181 1.00 74.53 O ATOM 262 CB GLN A 16 -14.339 -14.094 11.262 1.00 33.34 C ATOM 263 CG GLN A 16 -13.158 -13.187 11.471 1.00 33.31 C ATOM 264 CD GLN A 16 -13.471 -12.032 12.391 1.00 20.45 C ATOM 265 OE1 GLN A 16 -14.258 -12.154 13.329 1.00 4.30 O ATOM 266 NE2 GLN A 16 -12.882 -10.894 12.101 1.00 64.23 N ATOM 0 H GLN A 16 -12.623 -15.092 9.678 1.00 54.14 H new ATOM 0 HA GLN A 16 -13.751 -15.903 12.231 1.00 44.03 H new ATOM 0 HB2 GLN A 16 -14.836 -13.822 10.331 1.00 33.34 H new ATOM 0 HB3 GLN A 16 -15.058 -13.933 12.065 1.00 33.34 H new ATOM 0 HG2 GLN A 16 -12.331 -13.763 11.885 1.00 33.31 H new ATOM 0 HG3 GLN A 16 -12.826 -12.800 10.507 1.00 33.31 H new ATOM 0 HE21 GLN A 16 -12.236 -10.840 11.313 1.00 64.23 H new ATOM 0 HE22 GLN A 16 -13.070 -10.064 12.664 1.00 64.23 H new ATOM 275 N GLY A 17 -14.865 -17.060 9.554 1.00 70.33 N ATOM 276 CA GLY A 17 -15.864 -17.899 8.944 1.00 54.51 C ATOM 277 C GLY A 17 -16.685 -17.148 7.927 1.00 62.44 C ATOM 278 O GLY A 17 -17.875 -17.411 7.758 1.00 64.01 O ATOM 0 H GLY A 17 -13.966 -17.047 9.072 1.00 70.33 H new ATOM 0 HA2 GLY A 17 -15.380 -18.749 8.463 1.00 54.51 H new ATOM 0 HA3 GLY A 17 -16.521 -18.301 9.716 1.00 54.51 H new ATOM 282 N CYS A 18 -16.066 -16.185 7.264 1.00 42.32 N ATOM 283 CA CYS A 18 -16.744 -15.460 6.209 1.00 62.32 C ATOM 284 C CYS A 18 -16.088 -15.751 4.868 1.00 33.22 C ATOM 285 O CYS A 18 -14.869 -15.881 4.784 1.00 50.14 O ATOM 286 CB CYS A 18 -16.714 -13.952 6.473 1.00 62.11 C ATOM 287 SG CYS A 18 -18.032 -13.041 5.605 1.00 2.03 S ATOM 0 H CYS A 18 -15.105 -15.891 7.437 1.00 42.32 H new ATOM 0 HA CYS A 18 -17.782 -15.791 6.187 1.00 62.32 H new ATOM 0 HB2 CYS A 18 -16.806 -13.776 7.545 1.00 62.11 H new ATOM 0 HB3 CYS A 18 -15.746 -13.556 6.167 1.00 62.11 H new ATOM 0 HG CYS A 18 -19.058 -13.821 5.433 1.00 2.03 H new ATOM 292 N GLU A 19 -16.897 -15.898 3.833 1.00 42.44 N ATOM 293 CA GLU A 19 -16.379 -15.988 2.467 1.00 70.15 C ATOM 294 C GLU A 19 -17.056 -14.943 1.578 1.00 15.45 C ATOM 295 O GLU A 19 -16.706 -14.774 0.408 1.00 70.52 O ATOM 296 CB GLU A 19 -16.602 -17.393 1.883 1.00 25.32 C ATOM 297 CG GLU A 19 -18.047 -17.680 1.491 1.00 74.20 C ATOM 298 CD GLU A 19 -18.987 -17.755 2.675 1.00 32.32 C ATOM 299 OE1 GLU A 19 -19.293 -16.700 3.256 1.00 42.13 O ATOM 300 OE2 GLU A 19 -19.419 -18.869 3.031 1.00 64.31 O ATOM 0 H GLU A 19 -17.913 -15.958 3.906 1.00 42.44 H new ATOM 0 HA GLU A 19 -15.307 -15.795 2.498 1.00 70.15 H new ATOM 0 HB2 GLU A 19 -15.967 -17.515 1.005 1.00 25.32 H new ATOM 0 HB3 GLU A 19 -16.281 -18.134 2.615 1.00 25.32 H new ATOM 0 HG2 GLU A 19 -18.393 -16.902 0.811 1.00 74.20 H new ATOM 0 HG3 GLU A 19 -18.087 -18.622 0.944 1.00 74.20 H new ATOM 307 N ASP A 20 -18.018 -14.234 2.152 1.00 61.13 N ATOM 308 CA ASP A 20 -18.821 -13.280 1.407 1.00 3.55 C ATOM 309 C ASP A 20 -18.220 -11.884 1.508 1.00 1.51 C ATOM 310 O ASP A 20 -18.587 -11.094 2.387 1.00 71.13 O ATOM 311 CB ASP A 20 -20.256 -13.267 1.935 1.00 40.23 C ATOM 312 CG ASP A 20 -21.220 -12.541 1.011 1.00 5.41 C ATOM 313 OD1 ASP A 20 -20.947 -11.384 0.634 1.00 21.15 O ATOM 314 OD2 ASP A 20 -22.270 -13.125 0.673 1.00 3.14 O ATOM 0 H ASP A 20 -18.261 -14.304 3.140 1.00 61.13 H new ATOM 0 HA ASP A 20 -18.831 -13.584 0.360 1.00 3.55 H new ATOM 0 HB2 ASP A 20 -20.596 -14.293 2.073 1.00 40.23 H new ATOM 0 HB3 ASP A 20 -20.273 -12.791 2.916 1.00 40.23 H new ATOM 319 N PHE A 21 -17.247 -11.625 0.650 1.00 11.44 N ATOM 320 CA PHE A 21 -16.604 -10.317 0.554 1.00 31.35 C ATOM 321 C PHE A 21 -15.700 -10.258 -0.670 1.00 61.22 C ATOM 322 O PHE A 21 -15.148 -11.273 -1.094 1.00 75.41 O ATOM 323 CB PHE A 21 -15.803 -9.992 1.827 1.00 42.44 C ATOM 324 CG PHE A 21 -14.913 -11.106 2.314 1.00 74.32 C ATOM 325 CD1 PHE A 21 -15.399 -12.043 3.207 1.00 73.12 C ATOM 326 CD2 PHE A 21 -13.595 -11.210 1.893 1.00 41.20 C ATOM 327 CE1 PHE A 21 -14.600 -13.063 3.668 1.00 4.12 C ATOM 328 CE2 PHE A 21 -12.785 -12.231 2.356 1.00 52.30 C ATOM 329 CZ PHE A 21 -13.289 -13.162 3.245 1.00 22.30 C ATOM 0 H PHE A 21 -16.877 -12.315 -0.003 1.00 11.44 H new ATOM 0 HA PHE A 21 -17.388 -9.566 0.450 1.00 31.35 H new ATOM 0 HB2 PHE A 21 -15.189 -9.111 1.638 1.00 42.44 H new ATOM 0 HB3 PHE A 21 -16.501 -9.730 2.622 1.00 42.44 H new ATOM 0 HD1 PHE A 21 -16.421 -11.973 3.548 1.00 73.12 H new ATOM 0 HD2 PHE A 21 -13.198 -10.486 1.197 1.00 41.20 H new ATOM 0 HE1 PHE A 21 -14.999 -13.788 4.362 1.00 4.12 H new ATOM 0 HE2 PHE A 21 -11.760 -12.301 2.023 1.00 52.30 H new ATOM 0 HZ PHE A 21 -12.661 -13.963 3.607 1.00 22.30 H new ATOM 339 N GLY A 22 -15.569 -9.072 -1.241 1.00 71.32 N ATOM 340 CA GLY A 22 -14.736 -8.890 -2.413 1.00 30.24 C ATOM 341 C GLY A 22 -14.728 -7.447 -2.866 1.00 22.32 C ATOM 342 O GLY A 22 -15.359 -6.602 -2.240 1.00 51.41 O ATOM 0 H GLY A 22 -16.029 -8.224 -0.911 1.00 71.32 H new ATOM 0 HA2 GLY A 22 -13.718 -9.209 -2.190 1.00 30.24 H new ATOM 0 HA3 GLY A 22 -15.099 -9.525 -3.221 1.00 30.24 H new ATOM 346 N THR A 23 -14.024 -7.151 -3.945 1.00 23.00 N ATOM 347 CA THR A 23 -13.958 -5.788 -4.446 1.00 25.02 C ATOM 348 C THR A 23 -14.721 -5.649 -5.753 1.00 22.54 C ATOM 349 O THR A 23 -14.844 -6.612 -6.516 1.00 31.54 O ATOM 350 CB THR A 23 -12.503 -5.329 -4.670 1.00 14.22 C ATOM 351 OG1 THR A 23 -11.817 -6.249 -5.531 1.00 62.04 O ATOM 352 CG2 THR A 23 -11.760 -5.212 -3.351 1.00 33.12 C ATOM 0 H THR A 23 -13.493 -7.831 -4.489 1.00 23.00 H new ATOM 0 HA THR A 23 -14.415 -5.156 -3.685 1.00 25.02 H new ATOM 0 HB THR A 23 -12.530 -4.347 -5.142 1.00 14.22 H new ATOM 0 HG1 THR A 23 -10.895 -5.945 -5.666 1.00 62.04 H new ATOM 0 HG21 THR A 23 -10.737 -4.887 -3.538 1.00 33.12 H new ATOM 0 HG22 THR A 23 -12.262 -4.484 -2.714 1.00 33.12 H new ATOM 0 HG23 THR A 23 -11.748 -6.182 -2.853 1.00 33.12 H new ATOM 360 N LYS A 24 -15.253 -4.464 -5.994 1.00 64.55 N ATOM 361 CA LYS A 24 -15.836 -4.150 -7.284 1.00 62.44 C ATOM 362 C LYS A 24 -14.949 -3.137 -7.996 1.00 74.51 C ATOM 363 O LYS A 24 -14.374 -2.250 -7.361 1.00 23.03 O ATOM 364 CB LYS A 24 -17.263 -3.596 -7.152 1.00 3.20 C ATOM 365 CG LYS A 24 -17.330 -2.140 -6.713 1.00 4.23 C ATOM 366 CD LYS A 24 -18.699 -1.536 -6.983 1.00 14.45 C ATOM 367 CE LYS A 24 -18.693 -0.024 -6.811 1.00 1.11 C ATOM 368 NZ LYS A 24 -20.008 0.587 -7.150 1.00 3.04 N ATOM 0 H LYS A 24 -15.293 -3.705 -5.314 1.00 64.55 H new ATOM 0 HA LYS A 24 -15.899 -5.072 -7.863 1.00 62.44 H new ATOM 0 HB2 LYS A 24 -17.770 -3.698 -8.111 1.00 3.20 H new ATOM 0 HB3 LYS A 24 -17.812 -4.206 -6.435 1.00 3.20 H new ATOM 0 HG2 LYS A 24 -17.104 -2.070 -5.649 1.00 4.23 H new ATOM 0 HG3 LYS A 24 -16.568 -1.565 -7.239 1.00 4.23 H new ATOM 0 HD2 LYS A 24 -19.013 -1.785 -7.997 1.00 14.45 H new ATOM 0 HD3 LYS A 24 -19.431 -1.976 -6.305 1.00 14.45 H new ATOM 0 HE2 LYS A 24 -18.435 0.222 -5.781 1.00 1.11 H new ATOM 0 HE3 LYS A 24 -17.919 0.409 -7.445 1.00 1.11 H new ATOM 0 HZ1 LYS A 24 -19.956 1.617 -7.018 1.00 3.04 H new ATOM 0 HZ2 LYS A 24 -20.244 0.376 -8.141 1.00 3.04 H new ATOM 0 HZ3 LYS A 24 -20.744 0.195 -6.528 1.00 3.04 H new ATOM 743 N TYR A 47 -15.506 7.824 -13.730 1.00 75.20 N ATOM 744 CA TYR A 47 -14.654 7.505 -12.607 1.00 13.31 C ATOM 745 C TYR A 47 -14.702 6.015 -12.331 1.00 10.00 C ATOM 746 O TYR A 47 -15.723 5.367 -12.549 1.00 35.42 O ATOM 747 CB TYR A 47 -15.086 8.288 -11.362 1.00 14.13 C ATOM 748 CG TYR A 47 -14.954 9.792 -11.495 1.00 13.51 C ATOM 749 CD1 TYR A 47 -15.923 10.541 -12.152 1.00 11.31 C ATOM 750 CD2 TYR A 47 -13.862 10.462 -10.960 1.00 70.51 C ATOM 751 CE1 TYR A 47 -15.804 11.909 -12.275 1.00 14.32 C ATOM 752 CE2 TYR A 47 -13.737 11.834 -11.080 1.00 14.33 C ATOM 753 CZ TYR A 47 -14.713 12.552 -11.737 1.00 22.31 C ATOM 754 OH TYR A 47 -14.594 13.917 -11.864 1.00 63.41 O ATOM 0 HA TYR A 47 -13.631 7.790 -12.853 1.00 13.31 H new ATOM 0 HB2 TYR A 47 -16.124 8.045 -11.136 1.00 14.13 H new ATOM 0 HB3 TYR A 47 -14.489 7.956 -10.513 1.00 14.13 H new ATOM 0 HD1 TYR A 47 -16.784 10.043 -12.573 1.00 11.31 H new ATOM 0 HD2 TYR A 47 -13.098 9.902 -10.442 1.00 70.51 H new ATOM 0 HE1 TYR A 47 -16.565 12.474 -12.792 1.00 14.32 H new ATOM 0 HE2 TYR A 47 -12.880 12.340 -10.661 1.00 14.33 H new ATOM 0 HH TYR A 47 -13.768 14.215 -11.429 1.00 63.41 H new ATOM 764 N TYR A 48 -13.588 5.474 -11.882 1.00 24.32 N ATOM 765 CA TYR A 48 -13.526 4.075 -11.502 1.00 43.41 C ATOM 766 C TYR A 48 -14.156 3.886 -10.134 1.00 22.13 C ATOM 767 O TYR A 48 -13.644 4.389 -9.128 1.00 63.25 O ATOM 768 CB TYR A 48 -12.081 3.567 -11.481 1.00 13.54 C ATOM 769 CG TYR A 48 -11.472 3.350 -12.850 1.00 4.14 C ATOM 770 CD1 TYR A 48 -12.091 3.821 -14.002 1.00 43.23 C ATOM 771 CD2 TYR A 48 -10.274 2.664 -12.988 1.00 33.34 C ATOM 772 CE1 TYR A 48 -11.530 3.616 -15.247 1.00 61.23 C ATOM 773 CE2 TYR A 48 -9.707 2.456 -14.229 1.00 63.32 C ATOM 774 CZ TYR A 48 -10.339 2.934 -15.355 1.00 32.44 C ATOM 775 OH TYR A 48 -9.779 2.730 -16.593 1.00 3.03 O ATOM 0 H TYR A 48 -12.711 5.982 -11.771 1.00 24.32 H new ATOM 0 HA TYR A 48 -14.078 3.498 -12.244 1.00 43.41 H new ATOM 0 HB2 TYR A 48 -11.466 4.281 -10.933 1.00 13.54 H new ATOM 0 HB3 TYR A 48 -12.047 2.628 -10.929 1.00 13.54 H new ATOM 0 HD1 TYR A 48 -13.026 4.356 -13.922 1.00 43.23 H new ATOM 0 HD2 TYR A 48 -9.776 2.286 -12.108 1.00 33.34 H new ATOM 0 HE1 TYR A 48 -12.023 3.989 -16.132 1.00 61.23 H new ATOM 0 HE2 TYR A 48 -8.773 1.921 -14.316 1.00 63.32 H new ATOM 0 HH TYR A 48 -8.940 2.234 -16.495 1.00 3.03 H new ATOM 785 N GLY A 49 -15.274 3.187 -10.108 1.00 60.44 N ATOM 786 CA GLY A 49 -15.957 2.919 -8.868 1.00 2.40 C ATOM 787 C GLY A 49 -15.361 1.734 -8.150 1.00 75.51 C ATOM 788 O GLY A 49 -15.856 0.608 -8.268 1.00 4.10 O ATOM 0 H GLY A 49 -15.725 2.796 -10.935 1.00 60.44 H new ATOM 0 HA2 GLY A 49 -15.905 3.798 -8.226 1.00 2.40 H new ATOM 0 HA3 GLY A 49 -17.012 2.732 -9.066 1.00 2.40 H new ATOM 792 N PHE A 50 -14.271 1.982 -7.439 1.00 0.43 N ATOM 793 CA PHE A 50 -13.659 0.967 -6.607 1.00 24.12 C ATOM 794 C PHE A 50 -14.348 0.929 -5.260 1.00 21.33 C ATOM 795 O PHE A 50 -14.551 1.964 -4.624 1.00 42.10 O ATOM 796 CB PHE A 50 -12.167 1.230 -6.421 1.00 62.31 C ATOM 797 CG PHE A 50 -11.303 0.504 -7.406 1.00 60.34 C ATOM 798 CD1 PHE A 50 -11.081 -0.854 -7.270 1.00 11.11 C ATOM 799 CD2 PHE A 50 -10.706 1.174 -8.461 1.00 72.42 C ATOM 800 CE1 PHE A 50 -10.282 -1.532 -8.164 1.00 14.23 C ATOM 801 CE2 PHE A 50 -9.904 0.504 -9.352 1.00 71.35 C ATOM 802 CZ PHE A 50 -9.691 -0.850 -9.206 1.00 74.10 C ATOM 0 H PHE A 50 -13.793 2.883 -7.425 1.00 0.43 H new ATOM 0 HA PHE A 50 -13.772 0.003 -7.104 1.00 24.12 H new ATOM 0 HB2 PHE A 50 -11.982 2.301 -6.508 1.00 62.31 H new ATOM 0 HB3 PHE A 50 -11.878 0.937 -5.412 1.00 62.31 H new ATOM 0 HD1 PHE A 50 -11.540 -1.390 -6.452 1.00 11.11 H new ATOM 0 HD2 PHE A 50 -10.873 2.234 -8.584 1.00 72.42 H new ATOM 0 HE1 PHE A 50 -10.119 -2.593 -8.049 1.00 14.23 H new ATOM 0 HE2 PHE A 50 -9.440 1.038 -10.168 1.00 71.35 H new ATOM 0 HZ PHE A 50 -9.061 -1.376 -9.908 1.00 74.10 H new ATOM 812 N SER A 51 -14.721 -0.256 -4.833 1.00 70.11 N ATOM 813 CA SER A 51 -15.439 -0.409 -3.589 1.00 1.53 C ATOM 814 C SER A 51 -15.285 -1.828 -3.074 1.00 5.14 C ATOM 815 O SER A 51 -15.127 -2.764 -3.860 1.00 12.12 O ATOM 816 CB SER A 51 -16.915 -0.079 -3.813 1.00 3.42 C ATOM 817 OG SER A 51 -17.585 0.179 -2.595 1.00 20.51 O ATOM 0 H SER A 51 -14.539 -1.128 -5.329 1.00 70.11 H new ATOM 0 HA SER A 51 -15.030 0.274 -2.845 1.00 1.53 H new ATOM 0 HB2 SER A 51 -16.998 0.790 -4.465 1.00 3.42 H new ATOM 0 HB3 SER A 51 -17.400 -0.910 -4.326 1.00 3.42 H new ATOM 0 HG SER A 51 -16.943 0.509 -1.932 1.00 20.51 H new ATOM 823 N PHE A 52 -15.317 -1.988 -1.763 1.00 1.01 N ATOM 824 CA PHE A 52 -15.240 -3.305 -1.172 1.00 62.02 C ATOM 825 C PHE A 52 -16.610 -3.737 -0.686 1.00 10.43 C ATOM 826 O PHE A 52 -17.228 -3.062 0.151 1.00 14.10 O ATOM 827 CB PHE A 52 -14.242 -3.353 -0.016 1.00 72.35 C ATOM 828 CG PHE A 52 -13.935 -4.764 0.404 1.00 40.44 C ATOM 829 CD1 PHE A 52 -14.741 -5.424 1.319 1.00 55.34 C ATOM 830 CD2 PHE A 52 -12.853 -5.437 -0.138 1.00 21.02 C ATOM 831 CE1 PHE A 52 -14.469 -6.725 1.686 1.00 22.50 C ATOM 832 CE2 PHE A 52 -12.580 -6.741 0.223 1.00 74.14 C ATOM 833 CZ PHE A 52 -13.389 -7.385 1.135 1.00 51.55 C ATOM 0 H PHE A 52 -15.396 -1.223 -1.092 1.00 1.01 H new ATOM 0 HA PHE A 52 -14.890 -3.991 -1.943 1.00 62.02 H new ATOM 0 HB2 PHE A 52 -13.319 -2.854 -0.312 1.00 72.35 H new ATOM 0 HB3 PHE A 52 -14.644 -2.801 0.834 1.00 72.35 H new ATOM 0 HD1 PHE A 52 -15.590 -4.914 1.749 1.00 55.34 H new ATOM 0 HD2 PHE A 52 -12.215 -4.936 -0.851 1.00 21.02 H new ATOM 0 HE1 PHE A 52 -15.100 -7.227 2.404 1.00 22.50 H new ATOM 0 HE2 PHE A 52 -11.734 -7.256 -0.208 1.00 74.14 H new ATOM 0 HZ PHE A 52 -13.178 -8.406 1.418 1.00 51.55 H new ATOM 843 N PHE A 53 -17.058 -4.869 -1.206 1.00 35.25 N ATOM 844 CA PHE A 53 -18.356 -5.425 -0.880 1.00 32.20 C ATOM 845 C PHE A 53 -18.250 -6.421 0.264 1.00 55.32 C ATOM 846 O PHE A 53 -17.316 -7.222 0.331 1.00 1.52 O ATOM 847 CB PHE A 53 -18.966 -6.102 -2.106 1.00 20.21 C ATOM 848 CG PHE A 53 -20.014 -5.271 -2.780 1.00 70.24 C ATOM 849 CD1 PHE A 53 -21.333 -5.365 -2.382 1.00 51.21 C ATOM 850 CD2 PHE A 53 -19.683 -4.394 -3.800 1.00 3.02 C ATOM 851 CE1 PHE A 53 -22.311 -4.601 -2.988 1.00 44.13 C ATOM 852 CE2 PHE A 53 -20.656 -3.628 -4.412 1.00 10.05 C ATOM 853 CZ PHE A 53 -21.972 -3.730 -4.003 1.00 44.31 C ATOM 0 H PHE A 53 -16.525 -5.430 -1.871 1.00 35.25 H new ATOM 0 HA PHE A 53 -19.004 -4.607 -0.565 1.00 32.20 H new ATOM 0 HB2 PHE A 53 -18.174 -6.326 -2.821 1.00 20.21 H new ATOM 0 HB3 PHE A 53 -19.404 -7.054 -1.807 1.00 20.21 H new ATOM 0 HD1 PHE A 53 -21.603 -6.044 -1.587 1.00 51.21 H new ATOM 0 HD2 PHE A 53 -18.655 -4.308 -4.120 1.00 3.02 H new ATOM 0 HE1 PHE A 53 -23.339 -4.685 -2.668 1.00 44.13 H new ATOM 0 HE2 PHE A 53 -20.389 -2.950 -5.209 1.00 10.05 H new ATOM 0 HZ PHE A 53 -22.734 -3.129 -4.477 1.00 44.31 H new ATOM 863 N ARG A 54 -19.213 -6.351 1.159 1.00 63.42 N ATOM 864 CA ARG A 54 -19.278 -7.230 2.311 1.00 63.30 C ATOM 865 C ARG A 54 -20.725 -7.638 2.553 1.00 45.30 C ATOM 866 O ARG A 54 -21.519 -6.831 3.033 1.00 23.03 O ATOM 867 CB ARG A 54 -18.716 -6.505 3.533 1.00 60.34 C ATOM 868 CG ARG A 54 -19.029 -7.170 4.861 1.00 71.34 C ATOM 869 CD ARG A 54 -18.431 -8.560 4.965 1.00 10.10 C ATOM 870 NE ARG A 54 -18.494 -9.056 6.340 1.00 25.20 N ATOM 871 CZ ARG A 54 -17.532 -8.842 7.234 1.00 23.02 C ATOM 872 NH1 ARG A 54 -16.461 -8.158 6.874 1.00 14.13 N ATOM 873 NH2 ARG A 54 -17.648 -9.282 8.487 1.00 61.23 N ATOM 0 H ARG A 54 -19.978 -5.679 1.109 1.00 63.42 H new ATOM 0 HA ARG A 54 -18.685 -8.126 2.130 1.00 63.30 H new ATOM 0 HB2 ARG A 54 -17.634 -6.427 3.427 1.00 60.34 H new ATOM 0 HB3 ARG A 54 -19.109 -5.489 3.549 1.00 60.34 H new ATOM 0 HG2 ARG A 54 -18.647 -6.551 5.673 1.00 71.34 H new ATOM 0 HG3 ARG A 54 -20.110 -7.232 4.988 1.00 71.34 H new ATOM 0 HD2 ARG A 54 -18.967 -9.241 4.304 1.00 10.10 H new ATOM 0 HD3 ARG A 54 -17.394 -8.540 4.629 1.00 10.10 H new ATOM 0 HE ARG A 54 -19.314 -9.591 6.627 1.00 25.20 H new ATOM 0 HH11 ARG A 54 -16.380 -7.802 5.922 1.00 14.13 H new ATOM 0 HH12 ARG A 54 -15.715 -7.986 7.548 1.00 14.13 H new ATOM 0 HH21 ARG A 54 -18.484 -9.792 8.773 1.00 61.23 H new ATOM 0 HH22 ARG A 54 -16.901 -9.109 9.159 1.00 61.23 H new ATOM 887 N HIS A 55 -21.069 -8.871 2.187 1.00 12.44 N ATOM 888 CA HIS A 55 -22.436 -9.380 2.330 1.00 74.20 C ATOM 889 C HIS A 55 -23.415 -8.589 1.473 1.00 30.45 C ATOM 890 O HIS A 55 -24.610 -8.545 1.761 1.00 22.44 O ATOM 891 CB HIS A 55 -22.884 -9.341 3.790 1.00 25.20 C ATOM 892 CG HIS A 55 -22.552 -10.578 4.553 1.00 64.14 C ATOM 893 ND1 HIS A 55 -23.499 -11.480 4.977 1.00 4.13 N ATOM 894 CD2 HIS A 55 -21.356 -11.051 4.994 1.00 53.13 C ATOM 895 CE1 HIS A 55 -22.875 -12.446 5.647 1.00 32.14 C ATOM 896 NE2 HIS A 55 -21.576 -12.236 5.689 1.00 12.43 N ATOM 0 H HIS A 55 -20.415 -9.543 1.786 1.00 12.44 H new ATOM 0 HA HIS A 55 -22.432 -10.415 1.988 1.00 74.20 H new ATOM 0 HB2 HIS A 55 -22.418 -8.486 4.281 1.00 25.20 H new ATOM 0 HB3 HIS A 55 -23.962 -9.181 3.826 1.00 25.20 H new ATOM 0 HD2 HIS A 55 -20.395 -10.585 4.832 1.00 53.13 H new ATOM 0 HE1 HIS A 55 -23.370 -13.293 6.098 1.00 32.14 H new ATOM 0 HE2 HIS A 55 -20.874 -12.823 6.139 1.00 12.43 H new ATOM 904 N GLY A 56 -22.912 -7.984 0.411 1.00 55.34 N ATOM 905 CA GLY A 56 -23.750 -7.161 -0.434 1.00 10.34 C ATOM 906 C GLY A 56 -23.826 -5.730 0.058 1.00 23.41 C ATOM 907 O GLY A 56 -24.557 -4.909 -0.496 1.00 25.33 O ATOM 0 H GLY A 56 -21.937 -8.048 0.118 1.00 55.34 H new ATOM 0 HA2 GLY A 56 -23.361 -7.174 -1.452 1.00 10.34 H new ATOM 0 HA3 GLY A 56 -24.754 -7.585 -0.471 1.00 10.34 H new ATOM 911 N ASN A 57 -23.078 -5.433 1.111 1.00 52.42 N ATOM 912 CA ASN A 57 -23.007 -4.077 1.638 1.00 25.44 C ATOM 913 C ASN A 57 -21.677 -3.457 1.261 1.00 14.41 C ATOM 914 O ASN A 57 -20.811 -4.126 0.695 1.00 31.31 O ATOM 915 CB ASN A 57 -23.157 -4.052 3.163 1.00 21.12 C ATOM 916 CG ASN A 57 -24.289 -4.919 3.666 1.00 5.11 C ATOM 917 OD1 ASN A 57 -25.450 -4.508 3.688 1.00 41.30 O ATOM 918 ND2 ASN A 57 -23.948 -6.118 4.096 1.00 13.51 N ATOM 0 H ASN A 57 -22.511 -6.113 1.618 1.00 52.42 H new ATOM 0 HA ASN A 57 -23.830 -3.508 1.205 1.00 25.44 H new ATOM 0 HB2 ASN A 57 -22.224 -4.384 3.619 1.00 21.12 H new ATOM 0 HB3 ASN A 57 -23.323 -3.025 3.488 1.00 21.12 H new ATOM 0 HD21 ASN A 57 -24.659 -6.748 4.466 1.00 13.51 H new ATOM 0 HD22 ASN A 57 -22.973 -6.415 4.058 1.00 13.51 H new ATOM 925 N ILE A 58 -21.504 -2.194 1.594 1.00 22.40 N ATOM 926 CA ILE A 58 -20.279 -1.486 1.264 1.00 24.00 C ATOM 927 C ILE A 58 -19.492 -1.140 2.518 1.00 52.14 C ATOM 928 O ILE A 58 -19.992 -0.461 3.417 1.00 41.31 O ATOM 929 CB ILE A 58 -20.568 -0.208 0.448 1.00 4.53 C ATOM 930 CG1 ILE A 58 -21.101 -0.597 -0.933 1.00 24.11 C ATOM 931 CG2 ILE A 58 -19.317 0.659 0.322 1.00 4.25 C ATOM 932 CD1 ILE A 58 -20.086 -1.315 -1.795 1.00 70.04 C ATOM 0 H ILE A 58 -22.195 -1.634 2.093 1.00 22.40 H new ATOM 0 HA ILE A 58 -19.676 -2.154 0.649 1.00 24.00 H new ATOM 0 HB ILE A 58 -21.322 0.381 0.970 1.00 4.53 H new ATOM 0 HG12 ILE A 58 -21.976 -1.235 -0.809 1.00 24.11 H new ATOM 0 HG13 ILE A 58 -21.434 0.302 -1.451 1.00 24.11 H new ATOM 0 HG21 ILE A 58 -19.550 1.552 -0.258 1.00 4.25 H new ATOM 0 HG22 ILE A 58 -18.974 0.950 1.315 1.00 4.25 H new ATOM 0 HG23 ILE A 58 -18.532 0.094 -0.182 1.00 4.25 H new ATOM 0 HD11 ILE A 58 -20.534 -1.559 -2.758 1.00 70.04 H new ATOM 0 HD12 ILE A 58 -19.220 -0.671 -1.951 1.00 70.04 H new ATOM 0 HD13 ILE A 58 -19.771 -2.233 -1.298 1.00 70.04 H new ATOM 944 N VAL A 59 -18.268 -1.638 2.573 1.00 71.32 N ATOM 945 CA VAL A 59 -17.361 -1.334 3.673 1.00 45.03 C ATOM 946 C VAL A 59 -16.366 -0.258 3.253 1.00 13.33 C ATOM 947 O VAL A 59 -16.061 0.661 4.016 1.00 70.25 O ATOM 948 CB VAL A 59 -16.596 -2.594 4.150 1.00 23.24 C ATOM 949 CG1 VAL A 59 -15.497 -2.232 5.141 1.00 73.51 C ATOM 950 CG2 VAL A 59 -17.550 -3.600 4.778 1.00 60.52 C ATOM 0 H VAL A 59 -17.876 -2.259 1.865 1.00 71.32 H new ATOM 0 HA VAL A 59 -17.965 -0.970 4.505 1.00 45.03 H new ATOM 0 HB VAL A 59 -16.133 -3.047 3.273 1.00 23.24 H new ATOM 0 HG11 VAL A 59 -14.979 -3.138 5.457 1.00 73.51 H new ATOM 0 HG12 VAL A 59 -14.787 -1.555 4.666 1.00 73.51 H new ATOM 0 HG13 VAL A 59 -15.937 -1.744 6.011 1.00 73.51 H new ATOM 0 HG21 VAL A 59 -16.991 -4.476 5.105 1.00 60.52 H new ATOM 0 HG22 VAL A 59 -18.046 -3.145 5.635 1.00 60.52 H new ATOM 0 HG23 VAL A 59 -18.297 -3.900 4.044 1.00 60.52 H new ATOM 960 N ALA A 60 -15.874 -0.363 2.026 1.00 43.31 N ATOM 961 CA ALA A 60 -14.909 0.600 1.514 1.00 75.51 C ATOM 962 C ALA A 60 -15.361 1.144 0.176 1.00 30.52 C ATOM 963 O ALA A 60 -15.913 0.408 -0.631 1.00 42.31 O ATOM 964 CB ALA A 60 -13.540 -0.041 1.367 1.00 22.12 C ATOM 0 H ALA A 60 -16.126 -1.102 1.369 1.00 43.31 H new ATOM 0 HA ALA A 60 -14.841 1.421 2.228 1.00 75.51 H new ATOM 0 HB1 ALA A 60 -12.833 0.695 0.983 1.00 22.12 H new ATOM 0 HB2 ALA A 60 -13.200 -0.399 2.339 1.00 22.12 H new ATOM 0 HB3 ALA A 60 -13.603 -0.879 0.673 1.00 22.12 H new ATOM 970 N TYR A 61 -15.125 2.425 -0.062 1.00 30.43 N ATOM 971 CA TYR A 61 -15.436 3.023 -1.349 1.00 25.15 C ATOM 972 C TYR A 61 -14.369 4.043 -1.723 1.00 13.12 C ATOM 973 O TYR A 61 -13.918 4.817 -0.879 1.00 31.12 O ATOM 974 CB TYR A 61 -16.820 3.681 -1.331 1.00 63.22 C ATOM 975 CG TYR A 61 -17.280 4.136 -2.700 1.00 62.53 C ATOM 976 CD1 TYR A 61 -17.617 3.207 -3.672 1.00 44.00 C ATOM 977 CD2 TYR A 61 -17.370 5.484 -3.022 1.00 44.35 C ATOM 978 CE1 TYR A 61 -18.025 3.600 -4.930 1.00 42.42 C ATOM 979 CE2 TYR A 61 -17.781 5.889 -4.279 1.00 23.21 C ATOM 980 CZ TYR A 61 -18.107 4.943 -5.230 1.00 62.12 C ATOM 981 OH TYR A 61 -18.513 5.340 -6.485 1.00 75.25 O ATOM 0 H TYR A 61 -14.720 3.068 0.618 1.00 30.43 H new ATOM 0 HA TYR A 61 -15.449 2.232 -2.099 1.00 25.15 H new ATOM 0 HB2 TYR A 61 -17.546 2.975 -0.927 1.00 63.22 H new ATOM 0 HB3 TYR A 61 -16.799 4.538 -0.658 1.00 63.22 H new ATOM 0 HD1 TYR A 61 -17.559 2.154 -3.440 1.00 44.00 H new ATOM 0 HD2 TYR A 61 -17.115 6.227 -2.280 1.00 44.35 H new ATOM 0 HE1 TYR A 61 -18.279 2.860 -5.675 1.00 42.42 H new ATOM 0 HE2 TYR A 61 -17.847 6.941 -4.515 1.00 23.21 H new ATOM 0 HH TYR A 61 -19.223 6.010 -6.402 1.00 75.25 H new ATOM 991 N GLY A 62 -13.953 4.011 -2.976 1.00 51.32 N ATOM 992 CA GLY A 62 -12.979 4.952 -3.474 1.00 21.42 C ATOM 993 C GLY A 62 -13.179 5.218 -4.948 1.00 64.02 C ATOM 994 O GLY A 62 -12.791 4.411 -5.788 1.00 22.45 O ATOM 0 H GLY A 62 -14.280 3.337 -3.668 1.00 51.32 H new ATOM 0 HA2 GLY A 62 -13.056 5.887 -2.919 1.00 21.42 H new ATOM 0 HA3 GLY A 62 -11.975 4.563 -3.305 1.00 21.42 H new ATOM 998 N LYS A 63 -13.816 6.331 -5.265 1.00 44.41 N ATOM 999 CA LYS A 63 -14.094 6.676 -6.644 1.00 73.14 C ATOM 1000 C LYS A 63 -13.087 7.692 -7.171 1.00 2.34 C ATOM 1001 O LYS A 63 -12.950 8.788 -6.622 1.00 34.43 O ATOM 1002 CB LYS A 63 -15.506 7.234 -6.757 1.00 62.35 C ATOM 1003 CG LYS A 63 -15.922 7.563 -8.175 1.00 2.10 C ATOM 1004 CD LYS A 63 -17.374 7.977 -8.225 1.00 4.14 C ATOM 1005 CE LYS A 63 -17.601 9.324 -7.560 1.00 64.12 C ATOM 1006 NZ LYS A 63 -19.049 9.624 -7.401 1.00 13.34 N ATOM 0 H LYS A 63 -14.150 7.012 -4.583 1.00 44.41 H new ATOM 0 HA LYS A 63 -14.009 5.773 -7.249 1.00 73.14 H new ATOM 0 HB2 LYS A 63 -16.207 6.510 -6.341 1.00 62.35 H new ATOM 0 HB3 LYS A 63 -15.580 8.135 -6.148 1.00 62.35 H new ATOM 0 HG2 LYS A 63 -15.297 8.366 -8.565 1.00 2.10 H new ATOM 0 HG3 LYS A 63 -15.764 6.696 -8.816 1.00 2.10 H new ATOM 0 HD2 LYS A 63 -17.703 8.024 -9.263 1.00 4.14 H new ATOM 0 HD3 LYS A 63 -17.985 7.221 -7.732 1.00 4.14 H new ATOM 0 HE2 LYS A 63 -17.118 9.333 -6.583 1.00 64.12 H new ATOM 0 HE3 LYS A 63 -17.131 10.107 -8.155 1.00 64.12 H new ATOM 0 HZ1 LYS A 63 -19.163 10.551 -6.944 1.00 13.34 H new ATOM 0 HZ2 LYS A 63 -19.505 9.640 -8.336 1.00 13.34 H new ATOM 0 HZ3 LYS A 63 -19.493 8.891 -6.812 1.00 13.34 H new ATOM 1020 N SER A 64 -12.379 7.319 -8.227 1.00 42.55 N ATOM 1021 CA SER A 64 -11.418 8.211 -8.869 1.00 23.13 C ATOM 1022 C SER A 64 -11.247 7.835 -10.333 1.00 13.11 C ATOM 1023 O SER A 64 -11.510 6.698 -10.717 1.00 41.22 O ATOM 1024 CB SER A 64 -10.059 8.139 -8.166 1.00 70.02 C ATOM 1025 OG SER A 64 -10.171 8.460 -6.792 1.00 23.03 O ATOM 0 H SER A 64 -12.451 6.399 -8.661 1.00 42.55 H new ATOM 0 HA SER A 64 -11.802 9.229 -8.797 1.00 23.13 H new ATOM 0 HB2 SER A 64 -9.644 7.137 -8.274 1.00 70.02 H new ATOM 0 HB3 SER A 64 -9.362 8.826 -8.646 1.00 70.02 H new ATOM 0 HG SER A 64 -10.207 9.434 -6.685 1.00 23.03 H new ATOM 1031 N ARG A 65 -10.804 8.781 -11.152 1.00 42.24 N ATOM 1032 CA ARG A 65 -10.546 8.496 -12.557 1.00 22.12 C ATOM 1033 C ARG A 65 -9.216 7.761 -12.691 1.00 14.42 C ATOM 1034 O ARG A 65 -8.920 7.157 -13.725 1.00 44.34 O ATOM 1035 CB ARG A 65 -10.542 9.783 -13.390 1.00 70.40 C ATOM 1036 CG ARG A 65 -10.590 9.529 -14.890 1.00 51.34 C ATOM 1037 CD ARG A 65 -10.707 10.820 -15.685 1.00 35.03 C ATOM 1038 NE ARG A 65 -9.460 11.586 -15.707 1.00 53.54 N ATOM 1039 CZ ARG A 65 -9.042 12.278 -16.770 1.00 23.23 C ATOM 1040 NH1 ARG A 65 -9.758 12.274 -17.888 1.00 30.13 N ATOM 1041 NH2 ARG A 65 -7.908 12.966 -16.716 1.00 2.33 N ATOM 0 H ARG A 65 -10.617 9.744 -10.871 1.00 42.24 H new ATOM 0 HA ARG A 65 -11.346 7.862 -12.939 1.00 22.12 H new ATOM 0 HB2 ARG A 65 -11.398 10.395 -13.105 1.00 70.40 H new ATOM 0 HB3 ARG A 65 -9.646 10.358 -13.154 1.00 70.40 H new ATOM 0 HG2 ARG A 65 -9.690 8.996 -15.196 1.00 51.34 H new ATOM 0 HG3 ARG A 65 -11.437 8.883 -15.121 1.00 51.34 H new ATOM 0 HD2 ARG A 65 -11.003 10.586 -16.708 1.00 35.03 H new ATOM 0 HD3 ARG A 65 -11.499 11.435 -15.257 1.00 35.03 H new ATOM 0 HE ARG A 65 -8.881 11.592 -14.868 1.00 53.54 H new ATOM 0 HH11 ARG A 65 -10.627 11.742 -17.935 1.00 30.13 H new ATOM 0 HH12 ARG A 65 -9.439 12.803 -18.700 1.00 30.13 H new ATOM 0 HH21 ARG A 65 -7.353 12.967 -15.861 1.00 2.33 H new ATOM 0 HH22 ARG A 65 -7.592 13.493 -17.530 1.00 2.33 H new ATOM 1055 N LYS A 66 -8.415 7.821 -11.632 1.00 70.33 N ATOM 1056 CA LYS A 66 -7.183 7.056 -11.562 1.00 1.35 C ATOM 1057 C LYS A 66 -7.446 5.735 -10.858 1.00 22.01 C ATOM 1058 O LYS A 66 -7.899 5.723 -9.710 1.00 12.42 O ATOM 1059 CB LYS A 66 -6.103 7.824 -10.801 1.00 61.13 C ATOM 1060 CG LYS A 66 -5.728 9.154 -11.423 1.00 5.50 C ATOM 1061 CD LYS A 66 -4.570 9.798 -10.679 1.00 2.31 C ATOM 1062 CE LYS A 66 -3.296 8.976 -10.808 1.00 42.53 C ATOM 1063 NZ LYS A 66 -2.197 9.520 -9.968 1.00 51.23 N ATOM 0 H LYS A 66 -8.601 8.395 -10.810 1.00 70.33 H new ATOM 0 HA LYS A 66 -6.832 6.878 -12.579 1.00 1.35 H new ATOM 0 HB2 LYS A 66 -6.447 7.997 -9.781 1.00 61.13 H new ATOM 0 HB3 LYS A 66 -5.210 7.202 -10.735 1.00 61.13 H new ATOM 0 HG2 LYS A 66 -5.456 9.007 -12.468 1.00 5.50 H new ATOM 0 HG3 LYS A 66 -6.590 9.821 -11.409 1.00 5.50 H new ATOM 0 HD2 LYS A 66 -4.398 10.801 -11.070 1.00 2.31 H new ATOM 0 HD3 LYS A 66 -4.829 9.907 -9.626 1.00 2.31 H new ATOM 0 HE2 LYS A 66 -3.498 7.945 -10.518 1.00 42.53 H new ATOM 0 HE3 LYS A 66 -2.980 8.957 -11.851 1.00 42.53 H new ATOM 0 HZ1 LYS A 66 -1.347 8.932 -10.084 1.00 51.23 H new ATOM 0 HZ2 LYS A 66 -1.986 10.495 -10.261 1.00 51.23 H new ATOM 0 HZ3 LYS A 66 -2.488 9.514 -8.970 1.00 51.23 H new ATOM 1077 N VAL A 67 -7.160 4.637 -11.542 1.00 40.41 N ATOM 1078 CA VAL A 67 -7.358 3.303 -10.985 1.00 15.15 C ATOM 1079 C VAL A 67 -6.564 3.131 -9.685 1.00 20.32 C ATOM 1080 O VAL A 67 -7.039 2.516 -8.730 1.00 42.11 O ATOM 1081 CB VAL A 67 -6.953 2.209 -12.009 1.00 2.41 C ATOM 1082 CG1 VAL A 67 -5.482 2.301 -12.365 1.00 54.32 C ATOM 1083 CG2 VAL A 67 -7.283 0.814 -11.503 1.00 42.11 C ATOM 0 H VAL A 67 -6.787 4.642 -12.491 1.00 40.41 H new ATOM 0 HA VAL A 67 -8.419 3.190 -10.761 1.00 15.15 H new ATOM 0 HB VAL A 67 -7.538 2.390 -12.910 1.00 2.41 H new ATOM 0 HG11 VAL A 67 -5.232 1.521 -13.084 1.00 54.32 H new ATOM 0 HG12 VAL A 67 -5.274 3.277 -12.802 1.00 54.32 H new ATOM 0 HG13 VAL A 67 -4.881 2.171 -11.465 1.00 54.32 H new ATOM 0 HG21 VAL A 67 -6.984 0.077 -12.248 1.00 42.11 H new ATOM 0 HG22 VAL A 67 -6.746 0.628 -10.573 1.00 42.11 H new ATOM 0 HG23 VAL A 67 -8.355 0.736 -11.325 1.00 42.11 H new ATOM 1093 N ALA A 68 -5.371 3.717 -9.641 1.00 1.12 N ATOM 1094 CA ALA A 68 -4.491 3.581 -8.488 1.00 44.33 C ATOM 1095 C ALA A 68 -4.950 4.451 -7.324 1.00 61.03 C ATOM 1096 O ALA A 68 -4.676 4.140 -6.164 1.00 52.41 O ATOM 1097 CB ALA A 68 -3.066 3.934 -8.871 1.00 22.33 C ATOM 0 H ALA A 68 -4.992 4.292 -10.394 1.00 1.12 H new ATOM 0 HA ALA A 68 -4.530 2.541 -8.163 1.00 44.33 H new ATOM 0 HB1 ALA A 68 -2.418 3.828 -8.001 1.00 22.33 H new ATOM 0 HB2 ALA A 68 -2.725 3.264 -9.660 1.00 22.33 H new ATOM 0 HB3 ALA A 68 -3.029 4.963 -9.228 1.00 22.33 H new ATOM 1103 N ASN A 69 -5.643 5.540 -7.634 1.00 74.31 N ATOM 1104 CA ASN A 69 -6.124 6.452 -6.601 1.00 33.10 C ATOM 1105 C ASN A 69 -7.414 5.918 -6.006 1.00 24.13 C ATOM 1106 O ASN A 69 -7.600 5.917 -4.791 1.00 42.35 O ATOM 1107 CB ASN A 69 -6.365 7.853 -7.164 1.00 53.03 C ATOM 1108 CG ASN A 69 -6.518 8.891 -6.067 1.00 13.42 C ATOM 1109 OD1 ASN A 69 -5.529 9.447 -5.594 1.00 23.45 O ATOM 1110 ND2 ASN A 69 -7.747 9.173 -5.665 1.00 31.43 N ATOM 0 H ASN A 69 -5.884 5.813 -8.587 1.00 74.31 H new ATOM 0 HA ASN A 69 -5.358 6.520 -5.828 1.00 33.10 H new ATOM 0 HB2 ASN A 69 -5.534 8.131 -7.812 1.00 53.03 H new ATOM 0 HB3 ASN A 69 -7.262 7.845 -7.783 1.00 53.03 H new ATOM 0 HD21 ASN A 69 -7.898 9.873 -4.939 1.00 31.43 H new ATOM 0 HD22 ASN A 69 -8.543 8.690 -6.082 1.00 31.43 H new ATOM 1117 N ALA A 70 -8.293 5.458 -6.884 1.00 25.44 N ATOM 1118 CA ALA A 70 -9.565 4.875 -6.483 1.00 3.44 C ATOM 1119 C ALA A 70 -9.340 3.694 -5.547 1.00 54.15 C ATOM 1120 O ALA A 70 -9.925 3.617 -4.463 1.00 60.14 O ATOM 1121 CB ALA A 70 -10.330 4.436 -7.721 1.00 53.14 C ATOM 0 H ALA A 70 -8.145 5.478 -7.893 1.00 25.44 H new ATOM 0 HA ALA A 70 -10.149 5.623 -5.947 1.00 3.44 H new ATOM 0 HB1 ALA A 70 -11.283 3.999 -7.424 1.00 53.14 H new ATOM 0 HB2 ALA A 70 -10.511 5.299 -8.362 1.00 53.14 H new ATOM 0 HB3 ALA A 70 -9.745 3.695 -8.266 1.00 53.14 H new ATOM 1127 N LYS A 71 -8.481 2.782 -5.985 1.00 33.02 N ATOM 1128 CA LYS A 71 -8.068 1.647 -5.176 1.00 43.31 C ATOM 1129 C LYS A 71 -7.513 2.107 -3.834 1.00 32.11 C ATOM 1130 O LYS A 71 -7.852 1.554 -2.791 1.00 72.34 O ATOM 1131 CB LYS A 71 -7.006 0.852 -5.931 1.00 52.21 C ATOM 1132 CG LYS A 71 -7.533 -0.365 -6.652 1.00 13.21 C ATOM 1133 CD LYS A 71 -6.780 -0.595 -7.952 1.00 33.22 C ATOM 1134 CE LYS A 71 -5.277 -0.531 -7.755 1.00 22.31 C ATOM 1135 NZ LYS A 71 -4.719 -1.817 -7.255 1.00 44.41 N ATOM 0 H LYS A 71 -8.053 2.810 -6.910 1.00 33.02 H new ATOM 0 HA LYS A 71 -8.937 1.018 -4.985 1.00 43.31 H new ATOM 0 HB2 LYS A 71 -6.525 1.509 -6.656 1.00 52.21 H new ATOM 0 HB3 LYS A 71 -6.236 0.537 -5.226 1.00 52.21 H new ATOM 0 HG2 LYS A 71 -7.437 -1.242 -6.012 1.00 13.21 H new ATOM 0 HG3 LYS A 71 -8.595 -0.237 -6.860 1.00 13.21 H new ATOM 0 HD2 LYS A 71 -7.051 -1.568 -8.361 1.00 33.22 H new ATOM 0 HD3 LYS A 71 -7.082 0.154 -8.684 1.00 33.22 H new ATOM 0 HE2 LYS A 71 -4.799 -0.273 -8.700 1.00 22.31 H new ATOM 0 HE3 LYS A 71 -5.039 0.265 -7.050 1.00 22.31 H new ATOM 0 HZ1 LYS A 71 -3.690 -1.726 -7.136 1.00 44.41 H new ATOM 0 HZ2 LYS A 71 -5.154 -2.052 -6.340 1.00 44.41 H new ATOM 0 HZ3 LYS A 71 -4.922 -2.573 -7.939 1.00 44.41 H new ATOM 1149 N TYR A 72 -6.679 3.137 -3.875 1.00 12.02 N ATOM 1150 CA TYR A 72 -6.012 3.651 -2.684 1.00 55.34 C ATOM 1151 C TYR A 72 -7.016 4.034 -1.599 1.00 65.11 C ATOM 1152 O TYR A 72 -6.872 3.646 -0.437 1.00 42.31 O ATOM 1153 CB TYR A 72 -5.151 4.863 -3.063 1.00 3.12 C ATOM 1154 CG TYR A 72 -4.740 5.729 -1.891 1.00 62.41 C ATOM 1155 CD1 TYR A 72 -3.732 5.333 -1.021 1.00 73.12 C ATOM 1156 CD2 TYR A 72 -5.369 6.945 -1.657 1.00 11.24 C ATOM 1157 CE1 TYR A 72 -3.365 6.125 0.051 1.00 12.35 C ATOM 1158 CE2 TYR A 72 -5.007 7.742 -0.588 1.00 43.14 C ATOM 1159 CZ TYR A 72 -4.004 7.328 0.263 1.00 21.15 C ATOM 1160 OH TYR A 72 -3.641 8.118 1.331 1.00 32.11 O ATOM 0 H TYR A 72 -6.445 3.639 -4.731 1.00 12.02 H new ATOM 0 HA TYR A 72 -5.378 2.862 -2.279 1.00 55.34 H new ATOM 0 HB2 TYR A 72 -4.253 4.511 -3.571 1.00 3.12 H new ATOM 0 HB3 TYR A 72 -5.702 5.476 -3.776 1.00 3.12 H new ATOM 0 HD1 TYR A 72 -3.227 4.392 -1.185 1.00 73.12 H new ATOM 0 HD2 TYR A 72 -6.154 7.273 -2.322 1.00 11.24 H new ATOM 0 HE1 TYR A 72 -2.581 5.803 0.720 1.00 12.35 H new ATOM 0 HE2 TYR A 72 -5.507 8.684 -0.420 1.00 43.14 H new ATOM 0 HH TYR A 72 -4.187 8.932 1.337 1.00 32.11 H new ATOM 1170 N ILE A 73 -8.028 4.789 -1.993 1.00 4.42 N ATOM 1171 CA ILE A 73 -9.031 5.293 -1.066 1.00 63.30 C ATOM 1172 C ILE A 73 -9.744 4.157 -0.347 1.00 50.04 C ATOM 1173 O ILE A 73 -9.768 4.109 0.885 1.00 55.23 O ATOM 1174 CB ILE A 73 -10.068 6.155 -1.806 1.00 40.21 C ATOM 1175 CG1 ILE A 73 -9.367 7.318 -2.505 1.00 73.21 C ATOM 1176 CG2 ILE A 73 -11.131 6.659 -0.838 1.00 2.30 C ATOM 1177 CD1 ILE A 73 -10.170 7.908 -3.637 1.00 10.14 C ATOM 0 H ILE A 73 -8.178 5.070 -2.962 1.00 4.42 H new ATOM 0 HA ILE A 73 -8.511 5.903 -0.327 1.00 63.30 H new ATOM 0 HB ILE A 73 -10.566 5.546 -2.560 1.00 40.21 H new ATOM 0 HG12 ILE A 73 -9.156 8.098 -1.774 1.00 73.21 H new ATOM 0 HG13 ILE A 73 -8.407 6.975 -2.891 1.00 73.21 H new ATOM 0 HG21 ILE A 73 -11.856 7.267 -1.379 1.00 2.30 H new ATOM 0 HG22 ILE A 73 -11.639 5.810 -0.381 1.00 2.30 H new ATOM 0 HG23 ILE A 73 -10.660 7.261 -0.061 1.00 2.30 H new ATOM 0 HD11 ILE A 73 -9.613 8.729 -4.089 1.00 10.14 H new ATOM 0 HD12 ILE A 73 -10.358 7.141 -4.388 1.00 10.14 H new ATOM 0 HD13 ILE A 73 -11.120 8.281 -3.254 1.00 10.14 H new ATOM 1189 N MET A 74 -10.309 3.235 -1.118 1.00 51.24 N ATOM 1190 CA MET A 74 -11.049 2.125 -0.540 1.00 42.52 C ATOM 1191 C MET A 74 -10.138 1.269 0.339 1.00 51.33 C ATOM 1192 O MET A 74 -10.552 0.809 1.403 1.00 75.35 O ATOM 1193 CB MET A 74 -11.700 1.261 -1.626 1.00 75.43 C ATOM 1194 CG MET A 74 -10.706 0.582 -2.541 1.00 64.23 C ATOM 1195 SD MET A 74 -11.413 -0.810 -3.431 1.00 2.31 S ATOM 1196 CE MET A 74 -9.994 -1.893 -3.423 1.00 3.12 C ATOM 0 H MET A 74 -10.268 3.235 -2.137 1.00 51.24 H new ATOM 0 HA MET A 74 -11.842 2.545 0.079 1.00 42.52 H new ATOM 0 HB2 MET A 74 -12.320 0.501 -1.150 1.00 75.43 H new ATOM 0 HB3 MET A 74 -12.364 1.885 -2.225 1.00 75.43 H new ATOM 0 HG2 MET A 74 -10.324 1.309 -3.258 1.00 64.23 H new ATOM 0 HG3 MET A 74 -9.855 0.237 -1.953 1.00 64.23 H new ATOM 0 HE1 MET A 74 -10.150 -2.702 -4.137 1.00 3.12 H new ATOM 0 HE2 MET A 74 -9.104 -1.329 -3.702 1.00 3.12 H new ATOM 0 HE3 MET A 74 -9.861 -2.311 -2.425 1.00 3.12 H new ATOM 1206 N LYS A 75 -8.892 1.077 -0.097 1.00 42.30 N ATOM 1207 CA LYS A 75 -7.926 0.295 0.666 1.00 11.25 C ATOM 1208 C LYS A 75 -7.751 0.872 2.063 1.00 64.24 C ATOM 1209 O LYS A 75 -7.889 0.162 3.054 1.00 62.34 O ATOM 1210 CB LYS A 75 -6.575 0.245 -0.054 1.00 71.20 C ATOM 1211 CG LYS A 75 -6.560 -0.678 -1.261 1.00 43.45 C ATOM 1212 CD LYS A 75 -5.369 -0.391 -2.157 1.00 53.31 C ATOM 1213 CE LYS A 75 -5.347 -1.300 -3.375 1.00 61.42 C ATOM 1214 NZ LYS A 75 -4.852 -2.665 -3.057 1.00 10.32 N ATOM 0 H LYS A 75 -8.531 1.453 -0.974 1.00 42.30 H new ATOM 0 HA LYS A 75 -8.311 -0.721 0.752 1.00 11.25 H new ATOM 0 HB2 LYS A 75 -6.306 1.252 -0.374 1.00 71.20 H new ATOM 0 HB3 LYS A 75 -5.810 -0.080 0.651 1.00 71.20 H new ATOM 0 HG2 LYS A 75 -6.526 -1.715 -0.928 1.00 43.45 H new ATOM 0 HG3 LYS A 75 -7.483 -0.555 -1.828 1.00 43.45 H new ATOM 0 HD2 LYS A 75 -5.400 0.649 -2.480 1.00 53.31 H new ATOM 0 HD3 LYS A 75 -4.447 -0.521 -1.590 1.00 53.31 H new ATOM 0 HE2 LYS A 75 -6.352 -1.369 -3.791 1.00 61.42 H new ATOM 0 HE3 LYS A 75 -4.714 -0.857 -4.144 1.00 61.42 H new ATOM 0 HZ1 LYS A 75 -4.872 -3.251 -3.916 1.00 10.32 H new ATOM 0 HZ2 LYS A 75 -3.877 -2.606 -2.701 1.00 10.32 H new ATOM 0 HZ3 LYS A 75 -5.460 -3.095 -2.331 1.00 10.32 H new ATOM 1228 N GLN A 76 -7.492 2.172 2.131 1.00 11.03 N ATOM 1229 CA GLN A 76 -7.258 2.850 3.402 1.00 44.31 C ATOM 1230 C GLN A 76 -8.479 2.781 4.319 1.00 62.22 C ATOM 1231 O GLN A 76 -8.363 2.954 5.535 1.00 24.21 O ATOM 1232 CB GLN A 76 -6.865 4.304 3.148 1.00 62.33 C ATOM 1233 CG GLN A 76 -5.518 4.442 2.458 1.00 62.34 C ATOM 1234 CD GLN A 76 -4.390 3.802 3.245 1.00 23.03 C ATOM 1235 OE1 GLN A 76 -4.408 3.769 4.476 1.00 43.52 O ATOM 1236 NE2 GLN A 76 -3.403 3.277 2.539 1.00 22.52 N ATOM 0 H GLN A 76 -7.438 2.782 1.315 1.00 11.03 H new ATOM 0 HA GLN A 76 -6.442 2.336 3.910 1.00 44.31 H new ATOM 0 HB2 GLN A 76 -7.631 4.780 2.536 1.00 62.33 H new ATOM 0 HB3 GLN A 76 -6.837 4.839 4.098 1.00 62.33 H new ATOM 0 HG2 GLN A 76 -5.572 3.985 1.470 1.00 62.34 H new ATOM 0 HG3 GLN A 76 -5.297 5.499 2.308 1.00 62.34 H new ATOM 0 HE21 GLN A 76 -3.423 3.324 1.520 1.00 22.52 H new ATOM 0 HE22 GLN A 76 -2.621 2.825 3.013 1.00 22.52 H new ATOM 1245 N ARG A 77 -9.645 2.525 3.738 1.00 0.42 N ATOM 1246 CA ARG A 77 -10.865 2.360 4.518 1.00 44.51 C ATOM 1247 C ARG A 77 -10.774 1.108 5.392 1.00 12.03 C ATOM 1248 O ARG A 77 -10.726 1.202 6.621 1.00 41.14 O ATOM 1249 CB ARG A 77 -12.084 2.271 3.599 1.00 4.32 C ATOM 1250 CG ARG A 77 -12.276 3.483 2.699 1.00 13.40 C ATOM 1251 CD ARG A 77 -13.027 4.610 3.390 1.00 12.22 C ATOM 1252 NE ARG A 77 -12.333 5.132 4.566 1.00 64.34 N ATOM 1253 CZ ARG A 77 -12.799 6.132 5.311 1.00 22.44 C ATOM 1254 NH1 ARG A 77 -13.904 6.774 4.948 1.00 1.15 N ATOM 1255 NH2 ARG A 77 -12.141 6.515 6.397 1.00 65.24 N ATOM 0 H ARG A 77 -9.771 2.427 2.731 1.00 0.42 H new ATOM 0 HA ARG A 77 -10.979 3.232 5.163 1.00 44.51 H new ATOM 0 HB2 ARG A 77 -11.992 1.381 2.976 1.00 4.32 H new ATOM 0 HB3 ARG A 77 -12.977 2.141 4.210 1.00 4.32 H new ATOM 0 HG2 ARG A 77 -11.302 3.847 2.373 1.00 13.40 H new ATOM 0 HG3 ARG A 77 -12.821 3.184 1.804 1.00 13.40 H new ATOM 0 HD2 ARG A 77 -13.184 5.422 2.680 1.00 12.22 H new ATOM 0 HD3 ARG A 77 -14.012 4.252 3.688 1.00 12.22 H new ATOM 0 HE ARG A 77 -11.444 4.707 4.830 1.00 64.34 H new ATOM 0 HH11 ARG A 77 -14.396 6.501 4.098 1.00 1.15 H new ATOM 0 HH12 ARG A 77 -14.260 7.540 5.520 1.00 1.15 H new ATOM 0 HH21 ARG A 77 -11.277 6.043 6.662 1.00 65.24 H new ATOM 0 HH22 ARG A 77 -12.499 7.281 6.967 1.00 65.24 H new ATOM 1269 N LEU A 78 -10.730 -0.070 4.764 1.00 74.01 N ATOM 1270 CA LEU A 78 -10.644 -1.315 5.532 1.00 5.22 C ATOM 1271 C LEU A 78 -9.296 -1.425 6.232 1.00 25.05 C ATOM 1272 O LEU A 78 -9.190 -2.058 7.281 1.00 64.41 O ATOM 1273 CB LEU A 78 -10.847 -2.554 4.662 1.00 65.33 C ATOM 1274 CG LEU A 78 -11.496 -2.323 3.304 1.00 12.14 C ATOM 1275 CD1 LEU A 78 -10.441 -2.055 2.249 1.00 4.31 C ATOM 1276 CD2 LEU A 78 -12.335 -3.517 2.915 1.00 22.33 C ATOM 0 H LEU A 78 -10.752 -0.188 3.751 1.00 74.01 H new ATOM 0 HA LEU A 78 -11.448 -1.276 6.267 1.00 5.22 H new ATOM 0 HB2 LEU A 78 -9.876 -3.023 4.502 1.00 65.33 H new ATOM 0 HB3 LEU A 78 -11.458 -3.266 5.217 1.00 65.33 H new ATOM 0 HG LEU A 78 -12.143 -1.449 3.374 1.00 12.14 H new ATOM 0 HD11 LEU A 78 -10.923 -1.892 1.285 1.00 4.31 H new ATOM 0 HD12 LEU A 78 -9.869 -1.168 2.523 1.00 4.31 H new ATOM 0 HD13 LEU A 78 -9.770 -2.912 2.179 1.00 4.31 H new ATOM 0 HD21 LEU A 78 -12.793 -3.338 1.942 1.00 22.33 H new ATOM 0 HD22 LEU A 78 -11.703 -4.404 2.861 1.00 22.33 H new ATOM 0 HD23 LEU A 78 -13.115 -3.672 3.660 1.00 22.33 H new ATOM 1288 N LEU A 79 -8.275 -0.808 5.643 1.00 21.45 N ATOM 1289 CA LEU A 79 -6.925 -0.822 6.203 1.00 43.11 C ATOM 1290 C LEU A 79 -6.957 -0.367 7.657 1.00 25.22 C ATOM 1291 O LEU A 79 -6.427 -1.035 8.539 1.00 11.13 O ATOM 1292 CB LEU A 79 -6.005 0.076 5.353 1.00 74.53 C ATOM 1293 CG LEU A 79 -4.506 0.069 5.689 1.00 53.10 C ATOM 1294 CD1 LEU A 79 -4.190 1.054 6.799 1.00 74.20 C ATOM 1295 CD2 LEU A 79 -4.039 -1.330 6.064 1.00 14.20 C ATOM 0 H LEU A 79 -8.358 -0.287 4.770 1.00 21.45 H new ATOM 0 HA LEU A 79 -6.529 -1.837 6.181 1.00 43.11 H new ATOM 0 HB2 LEU A 79 -6.118 -0.218 4.309 1.00 74.53 H new ATOM 0 HB3 LEU A 79 -6.364 1.102 5.436 1.00 74.53 H new ATOM 0 HG LEU A 79 -3.964 0.381 4.796 1.00 53.10 H new ATOM 0 HD11 LEU A 79 -3.122 1.028 7.016 1.00 74.20 H new ATOM 0 HD12 LEU A 79 -4.472 2.059 6.485 1.00 74.20 H new ATOM 0 HD13 LEU A 79 -4.749 0.784 7.695 1.00 74.20 H new ATOM 0 HD21 LEU A 79 -2.974 -1.308 6.297 1.00 14.20 H new ATOM 0 HD22 LEU A 79 -4.594 -1.678 6.935 1.00 14.20 H new ATOM 0 HD23 LEU A 79 -4.213 -2.008 5.228 1.00 14.20 H new ATOM 1307 N LYS A 80 -7.627 0.744 7.906 1.00 33.24 N ATOM 1308 CA LYS A 80 -7.734 1.273 9.256 1.00 31.24 C ATOM 1309 C LYS A 80 -8.662 0.417 10.105 1.00 15.15 C ATOM 1310 O LYS A 80 -8.506 0.346 11.320 1.00 32.02 O ATOM 1311 CB LYS A 80 -8.226 2.722 9.244 1.00 52.24 C ATOM 1312 CG LYS A 80 -7.113 3.745 9.418 1.00 41.15 C ATOM 1313 CD LYS A 80 -6.392 3.570 10.752 1.00 44.10 C ATOM 1314 CE LYS A 80 -7.359 3.623 11.927 1.00 60.11 C ATOM 1315 NZ LYS A 80 -6.661 3.538 13.237 1.00 74.31 N ATOM 0 H LYS A 80 -8.104 1.297 7.194 1.00 33.24 H new ATOM 0 HA LYS A 80 -6.737 1.249 9.696 1.00 31.24 H new ATOM 0 HB2 LYS A 80 -8.741 2.914 8.303 1.00 52.24 H new ATOM 0 HB3 LYS A 80 -8.958 2.855 10.041 1.00 52.24 H new ATOM 0 HG2 LYS A 80 -6.397 3.647 8.602 1.00 41.15 H new ATOM 0 HG3 LYS A 80 -7.530 4.750 9.358 1.00 41.15 H new ATOM 0 HD2 LYS A 80 -5.864 2.616 10.758 1.00 44.10 H new ATOM 0 HD3 LYS A 80 -5.640 4.351 10.864 1.00 44.10 H new ATOM 0 HE2 LYS A 80 -7.931 4.550 11.882 1.00 60.11 H new ATOM 0 HE3 LYS A 80 -8.073 2.803 11.844 1.00 60.11 H new ATOM 0 HZ1 LYS A 80 -7.351 3.323 13.985 1.00 74.31 H new ATOM 0 HZ2 LYS A 80 -5.944 2.785 13.200 1.00 74.31 H new ATOM 0 HZ3 LYS A 80 -6.198 4.446 13.444 1.00 74.31 H new ATOM 1329 N LEU A 81 -9.614 -0.243 9.465 1.00 42.42 N ATOM 1330 CA LEU A 81 -10.578 -1.068 10.181 1.00 22.01 C ATOM 1331 C LEU A 81 -9.918 -2.317 10.758 1.00 2.12 C ATOM 1332 O LEU A 81 -10.256 -2.745 11.859 1.00 33.21 O ATOM 1333 CB LEU A 81 -11.747 -1.445 9.267 1.00 34.45 C ATOM 1334 CG LEU A 81 -12.594 -0.262 8.789 1.00 30.22 C ATOM 1335 CD1 LEU A 81 -13.702 -0.734 7.861 1.00 71.21 C ATOM 1336 CD2 LEU A 81 -13.178 0.491 9.975 1.00 34.45 C ATOM 0 H LEU A 81 -9.741 -0.225 8.453 1.00 42.42 H new ATOM 0 HA LEU A 81 -10.966 -0.483 11.015 1.00 22.01 H new ATOM 0 HB2 LEU A 81 -11.354 -1.969 8.395 1.00 34.45 H new ATOM 0 HB3 LEU A 81 -12.393 -2.146 9.796 1.00 34.45 H new ATOM 0 HG LEU A 81 -11.948 0.417 8.233 1.00 30.22 H new ATOM 0 HD11 LEU A 81 -14.292 0.122 7.533 1.00 71.21 H new ATOM 0 HD12 LEU A 81 -13.264 -1.227 6.993 1.00 71.21 H new ATOM 0 HD13 LEU A 81 -14.346 -1.436 8.391 1.00 71.21 H new ATOM 0 HD21 LEU A 81 -13.777 1.328 9.616 1.00 34.45 H new ATOM 0 HD22 LEU A 81 -13.807 -0.181 10.559 1.00 34.45 H new ATOM 0 HD23 LEU A 81 -12.369 0.866 10.602 1.00 34.45 H new ATOM 1348 N LEU A 82 -8.970 -2.888 10.031 1.00 2.10 N ATOM 1349 CA LEU A 82 -8.260 -4.063 10.519 1.00 23.31 C ATOM 1350 C LEU A 82 -7.088 -3.670 11.411 1.00 24.50 C ATOM 1351 O LEU A 82 -6.697 -4.430 12.292 1.00 32.22 O ATOM 1352 CB LEU A 82 -7.795 -4.950 9.359 1.00 32.45 C ATOM 1353 CG LEU A 82 -7.025 -4.246 8.238 1.00 71.21 C ATOM 1354 CD1 LEU A 82 -5.523 -4.484 8.351 1.00 61.42 C ATOM 1355 CD2 LEU A 82 -7.533 -4.714 6.892 1.00 23.13 C ATOM 0 H LEU A 82 -8.676 -2.562 9.110 1.00 2.10 H new ATOM 0 HA LEU A 82 -8.958 -4.642 11.124 1.00 23.31 H new ATOM 0 HB2 LEU A 82 -7.164 -5.741 9.764 1.00 32.45 H new ATOM 0 HB3 LEU A 82 -8.670 -5.432 8.924 1.00 32.45 H new ATOM 0 HG LEU A 82 -7.195 -3.174 8.335 1.00 71.21 H new ATOM 0 HD11 LEU A 82 -5.011 -3.969 7.538 1.00 61.42 H new ATOM 0 HD12 LEU A 82 -5.165 -4.101 9.306 1.00 61.42 H new ATOM 0 HD13 LEU A 82 -5.318 -5.553 8.289 1.00 61.42 H new ATOM 0 HD21 LEU A 82 -6.981 -4.209 6.099 1.00 23.13 H new ATOM 0 HD22 LEU A 82 -7.391 -5.791 6.804 1.00 23.13 H new ATOM 0 HD23 LEU A 82 -8.594 -4.479 6.802 1.00 23.13 H new ATOM 1367 N GLU A 83 -6.535 -2.484 11.183 1.00 15.33 N ATOM 1368 CA GLU A 83 -5.472 -1.962 12.037 1.00 13.24 C ATOM 1369 C GLU A 83 -6.022 -1.567 13.409 1.00 22.31 C ATOM 1370 O GLU A 83 -5.404 -1.830 14.440 1.00 35.42 O ATOM 1371 CB GLU A 83 -4.807 -0.748 11.384 1.00 52.42 C ATOM 1372 CG GLU A 83 -3.910 -1.082 10.202 1.00 71.41 C ATOM 1373 CD GLU A 83 -2.654 -1.829 10.599 1.00 35.35 C ATOM 1374 OE1 GLU A 83 -2.064 -1.494 11.649 1.00 32.12 O ATOM 1375 OE2 GLU A 83 -2.230 -2.731 9.849 1.00 21.41 O ATOM 0 H GLU A 83 -6.803 -1.867 10.417 1.00 15.33 H new ATOM 0 HA GLU A 83 -4.730 -2.750 12.167 1.00 13.24 H new ATOM 0 HB2 GLU A 83 -5.583 -0.059 11.052 1.00 52.42 H new ATOM 0 HB3 GLU A 83 -4.217 -0.224 12.136 1.00 52.42 H new ATOM 0 HG2 GLU A 83 -4.471 -1.683 9.486 1.00 71.41 H new ATOM 0 HG3 GLU A 83 -3.631 -0.159 9.694 1.00 71.41 H new ATOM 1382 N ASP A 84 -7.191 -0.933 13.409 1.00 64.13 N ATOM 1383 CA ASP A 84 -7.806 -0.444 14.642 1.00 15.22 C ATOM 1384 C ASP A 84 -8.689 -1.519 15.262 1.00 55.02 C ATOM 1385 O ASP A 84 -9.108 -1.408 16.415 1.00 11.30 O ATOM 1386 CB ASP A 84 -8.640 0.805 14.352 1.00 24.42 C ATOM 1387 CG ASP A 84 -8.821 1.688 15.571 1.00 42.24 C ATOM 1388 OD1 ASP A 84 -7.880 2.440 15.906 1.00 65.42 O ATOM 1389 OD2 ASP A 84 -9.904 1.650 16.189 1.00 34.14 O ATOM 0 H ASP A 84 -7.734 -0.745 12.566 1.00 64.13 H new ATOM 0 HA ASP A 84 -7.013 -0.192 15.346 1.00 15.22 H new ATOM 0 HB2 ASP A 84 -8.160 1.381 13.560 1.00 24.42 H new ATOM 0 HB3 ASP A 84 -9.619 0.504 13.979 1.00 24.42 H new ATOM 1394 N LYS A 85 -8.961 -2.558 14.476 1.00 45.13 N ATOM 1395 CA LYS A 85 -9.787 -3.685 14.905 1.00 41.33 C ATOM 1396 C LYS A 85 -11.227 -3.239 15.161 1.00 4.44 C ATOM 1397 O LYS A 85 -11.831 -3.581 16.179 1.00 33.35 O ATOM 1398 CB LYS A 85 -9.193 -4.354 16.150 1.00 64.14 C ATOM 1399 CG LYS A 85 -7.755 -4.812 15.965 1.00 3.14 C ATOM 1400 CD LYS A 85 -7.630 -5.902 14.907 1.00 64.24 C ATOM 1401 CE LYS A 85 -8.352 -7.179 15.312 1.00 72.30 C ATOM 1402 NZ LYS A 85 -8.073 -8.299 14.374 1.00 60.11 N ATOM 0 H LYS A 85 -8.614 -2.643 13.521 1.00 45.13 H new ATOM 0 HA LYS A 85 -9.800 -4.420 14.100 1.00 41.33 H new ATOM 0 HB2 LYS A 85 -9.239 -3.655 16.985 1.00 64.14 H new ATOM 0 HB3 LYS A 85 -9.808 -5.213 16.419 1.00 64.14 H new ATOM 0 HG2 LYS A 85 -7.138 -3.960 15.681 1.00 3.14 H new ATOM 0 HG3 LYS A 85 -7.369 -5.183 16.914 1.00 3.14 H new ATOM 0 HD2 LYS A 85 -8.038 -5.539 13.964 1.00 64.24 H new ATOM 0 HD3 LYS A 85 -6.576 -6.121 14.735 1.00 64.24 H new ATOM 0 HE2 LYS A 85 -8.046 -7.465 16.319 1.00 72.30 H new ATOM 0 HE3 LYS A 85 -9.426 -6.993 15.346 1.00 72.30 H new ATOM 0 HZ1 LYS A 85 -8.584 -9.149 14.687 1.00 60.11 H new ATOM 0 HZ2 LYS A 85 -8.388 -8.038 13.418 1.00 60.11 H new ATOM 0 HZ3 LYS A 85 -7.052 -8.494 14.361 1.00 60.11 H new ATOM 1416 N SER A 86 -11.770 -2.484 14.216 1.00 73.40 N ATOM 1417 CA SER A 86 -13.142 -2.009 14.296 1.00 10.21 C ATOM 1418 C SER A 86 -14.103 -3.019 13.665 1.00 0.14 C ATOM 1419 O SER A 86 -13.820 -3.581 12.606 1.00 31.23 O ATOM 1420 CB SER A 86 -13.249 -0.656 13.598 1.00 75.34 C ATOM 1421 OG SER A 86 -12.338 0.272 14.166 1.00 14.53 O ATOM 0 H SER A 86 -11.274 -2.185 13.377 1.00 73.40 H new ATOM 0 HA SER A 86 -13.420 -1.896 15.344 1.00 10.21 H new ATOM 0 HB2 SER A 86 -13.042 -0.772 12.534 1.00 75.34 H new ATOM 0 HB3 SER A 86 -14.267 -0.275 13.685 1.00 75.34 H new ATOM 0 HG SER A 86 -12.419 1.133 13.706 1.00 14.53 H new ATOM 1427 N ASN A 87 -15.253 -3.219 14.304 1.00 50.33 N ATOM 1428 CA ASN A 87 -16.193 -4.271 13.904 1.00 51.44 C ATOM 1429 C ASN A 87 -16.885 -3.960 12.582 1.00 61.40 C ATOM 1430 O ASN A 87 -17.630 -4.783 12.061 1.00 2.11 O ATOM 1431 CB ASN A 87 -17.260 -4.501 14.984 1.00 75.04 C ATOM 1432 CG ASN A 87 -18.198 -3.319 15.161 1.00 44.33 C ATOM 1433 OD1 ASN A 87 -19.215 -3.213 14.479 1.00 51.50 O ATOM 1434 ND2 ASN A 87 -17.885 -2.442 16.101 1.00 15.42 N ATOM 0 H ASN A 87 -15.560 -2.666 15.104 1.00 50.33 H new ATOM 0 HA ASN A 87 -15.598 -5.175 13.777 1.00 51.44 H new ATOM 0 HB2 ASN A 87 -17.844 -5.384 14.726 1.00 75.04 H new ATOM 0 HB3 ASN A 87 -16.767 -4.711 15.933 1.00 75.04 H new ATOM 0 HD21 ASN A 87 -18.497 -1.645 16.279 1.00 15.42 H new ATOM 0 HD22 ASN A 87 -17.032 -2.563 16.647 1.00 15.42 H new ATOM 1441 N LEU A 88 -16.630 -2.785 12.030 1.00 62.14 N ATOM 1442 CA LEU A 88 -17.283 -2.371 10.793 1.00 43.11 C ATOM 1443 C LEU A 88 -16.913 -3.292 9.640 1.00 43.20 C ATOM 1444 O LEU A 88 -17.711 -3.526 8.735 1.00 42.32 O ATOM 1445 CB LEU A 88 -16.931 -0.923 10.446 1.00 42.54 C ATOM 1446 CG LEU A 88 -17.510 0.129 11.392 1.00 12.23 C ATOM 1447 CD1 LEU A 88 -18.962 -0.193 11.713 1.00 75.42 C ATOM 1448 CD2 LEU A 88 -16.683 0.246 12.664 1.00 55.13 C ATOM 0 H LEU A 88 -15.978 -2.101 12.415 1.00 62.14 H new ATOM 0 HA LEU A 88 -18.359 -2.438 10.953 1.00 43.11 H new ATOM 0 HB2 LEU A 88 -15.846 -0.822 10.435 1.00 42.54 H new ATOM 0 HB3 LEU A 88 -17.281 -0.712 9.435 1.00 42.54 H new ATOM 0 HG LEU A 88 -17.472 1.095 10.889 1.00 12.23 H new ATOM 0 HD11 LEU A 88 -19.362 0.564 12.388 1.00 75.42 H new ATOM 0 HD12 LEU A 88 -19.545 -0.203 10.792 1.00 75.42 H new ATOM 0 HD13 LEU A 88 -19.021 -1.171 12.190 1.00 75.42 H new ATOM 0 HD21 LEU A 88 -17.122 1.002 13.315 1.00 55.13 H new ATOM 0 HD22 LEU A 88 -16.671 -0.714 13.180 1.00 55.13 H new ATOM 0 HD23 LEU A 88 -15.663 0.534 12.410 1.00 55.13 H new ATOM 1460 N LEU A 89 -15.705 -3.818 9.679 1.00 1.20 N ATOM 1461 CA LEU A 89 -15.269 -4.765 8.668 1.00 65.10 C ATOM 1462 C LEU A 89 -15.041 -6.136 9.295 1.00 1.51 C ATOM 1463 O LEU A 89 -14.844 -7.134 8.607 1.00 50.10 O ATOM 1464 CB LEU A 89 -13.990 -4.265 7.999 1.00 61.45 C ATOM 1465 CG LEU A 89 -13.283 -5.285 7.118 1.00 3.14 C ATOM 1466 CD1 LEU A 89 -13.805 -5.237 5.699 1.00 40.45 C ATOM 1467 CD2 LEU A 89 -11.784 -5.072 7.174 1.00 62.54 C ATOM 0 H LEU A 89 -15.010 -3.608 10.395 1.00 1.20 H new ATOM 0 HA LEU A 89 -16.047 -4.856 7.910 1.00 65.10 H new ATOM 0 HB2 LEU A 89 -14.232 -3.391 7.394 1.00 61.45 H new ATOM 0 HB3 LEU A 89 -13.298 -3.935 8.774 1.00 61.45 H new ATOM 0 HG LEU A 89 -13.496 -6.283 7.500 1.00 3.14 H new ATOM 0 HD11 LEU A 89 -13.281 -5.977 5.093 1.00 40.45 H new ATOM 0 HD12 LEU A 89 -14.873 -5.456 5.696 1.00 40.45 H new ATOM 0 HD13 LEU A 89 -13.638 -4.243 5.283 1.00 40.45 H new ATOM 0 HD21 LEU A 89 -11.288 -5.807 6.540 1.00 62.54 H new ATOM 0 HD22 LEU A 89 -11.546 -4.069 6.821 1.00 62.54 H new ATOM 0 HD23 LEU A 89 -11.438 -5.187 8.201 1.00 62.54 H new ATOM 1479 N LEU A 90 -15.088 -6.180 10.606 1.00 52.12 N ATOM 1480 CA LEU A 90 -14.721 -7.384 11.338 1.00 72.22 C ATOM 1481 C LEU A 90 -15.877 -7.928 12.184 1.00 50.24 C ATOM 1482 O LEU A 90 -15.650 -8.665 13.140 1.00 25.32 O ATOM 1483 CB LEU A 90 -13.529 -7.059 12.235 1.00 15.24 C ATOM 1484 CG LEU A 90 -12.414 -6.261 11.554 1.00 65.23 C ATOM 1485 CD1 LEU A 90 -11.459 -5.696 12.584 1.00 43.41 C ATOM 1486 CD2 LEU A 90 -11.660 -7.117 10.551 1.00 71.13 C ATOM 0 H LEU A 90 -15.376 -5.398 11.194 1.00 52.12 H new ATOM 0 HA LEU A 90 -14.465 -8.160 10.616 1.00 72.22 H new ATOM 0 HB2 LEU A 90 -13.884 -6.497 13.098 1.00 15.24 H new ATOM 0 HB3 LEU A 90 -13.111 -7.992 12.612 1.00 15.24 H new ATOM 0 HG LEU A 90 -12.877 -5.435 11.014 1.00 65.23 H new ATOM 0 HD11 LEU A 90 -10.673 -5.132 12.081 1.00 43.41 H new ATOM 0 HD12 LEU A 90 -12.002 -5.037 13.261 1.00 43.41 H new ATOM 0 HD13 LEU A 90 -11.013 -6.512 13.153 1.00 43.41 H new ATOM 0 HD21 LEU A 90 -10.875 -6.523 10.084 1.00 71.13 H new ATOM 0 HD22 LEU A 90 -11.214 -7.970 11.063 1.00 71.13 H new ATOM 0 HD23 LEU A 90 -12.350 -7.473 9.786 1.00 71.13 H new ATOM 1498 N TYR A 91 -17.111 -7.583 11.831 1.00 61.33 N ATOM 1499 CA TYR A 91 -18.269 -8.027 12.609 1.00 75.43 C ATOM 1500 C TYR A 91 -18.533 -9.521 12.424 1.00 33.45 C ATOM 1501 O TYR A 91 -18.095 -10.129 11.438 1.00 52.20 O ATOM 1502 CB TYR A 91 -19.526 -7.228 12.240 1.00 30.32 C ATOM 1503 CG TYR A 91 -20.020 -7.445 10.826 1.00 61.22 C ATOM 1504 CD1 TYR A 91 -20.741 -8.586 10.480 1.00 10.25 C ATOM 1505 CD2 TYR A 91 -19.775 -6.502 9.840 1.00 22.32 C ATOM 1506 CE1 TYR A 91 -21.198 -8.778 9.193 1.00 12.44 C ATOM 1507 CE2 TYR A 91 -20.231 -6.683 8.550 1.00 24.24 C ATOM 1508 CZ TYR A 91 -20.944 -7.825 8.230 1.00 3.34 C ATOM 1509 OH TYR A 91 -21.400 -8.020 6.945 1.00 50.51 O ATOM 0 H TYR A 91 -17.337 -7.005 11.022 1.00 61.33 H new ATOM 0 HA TYR A 91 -18.033 -7.847 13.658 1.00 75.43 H new ATOM 0 HB2 TYR A 91 -20.324 -7.491 12.934 1.00 30.32 H new ATOM 0 HB3 TYR A 91 -19.320 -6.167 12.380 1.00 30.32 H new ATOM 0 HD1 TYR A 91 -20.946 -9.333 11.233 1.00 10.25 H new ATOM 0 HD2 TYR A 91 -19.218 -5.610 10.086 1.00 22.32 H new ATOM 0 HE1 TYR A 91 -21.752 -9.670 8.941 1.00 12.44 H new ATOM 0 HE2 TYR A 91 -20.032 -5.937 7.794 1.00 24.24 H new ATOM 0 HH TYR A 91 -21.877 -7.219 6.642 1.00 50.51 H new ATOM 1519 N SER A 92 -19.275 -10.093 13.363 1.00 11.23 N ATOM 1520 CA SER A 92 -19.628 -11.502 13.318 1.00 54.13 C ATOM 1521 C SER A 92 -20.863 -11.719 12.447 1.00 2.51 C ATOM 1522 O SER A 92 -21.813 -10.934 12.483 1.00 25.41 O ATOM 1523 CB SER A 92 -19.878 -12.024 14.732 1.00 62.13 C ATOM 1524 OG SER A 92 -18.730 -11.849 15.547 1.00 31.33 O ATOM 0 H SER A 92 -19.646 -9.595 14.172 1.00 11.23 H new ATOM 0 HA SER A 92 -18.798 -12.055 12.879 1.00 54.13 H new ATOM 0 HB2 SER A 92 -20.725 -11.499 15.173 1.00 62.13 H new ATOM 0 HB3 SER A 92 -20.143 -13.081 14.692 1.00 62.13 H new ATOM 0 HG SER A 92 -18.913 -12.189 16.448 1.00 31.33 H new ATOM 1530 N CYS A 93 -20.832 -12.782 11.666 1.00 73.44 N ATOM 1531 CA CYS A 93 -21.910 -13.102 10.742 1.00 72.03 C ATOM 1532 C CYS A 93 -22.166 -14.600 10.733 1.00 23.33 C ATOM 1533 O CYS A 93 -21.493 -15.349 11.436 1.00 64.42 O ATOM 1534 CB CYS A 93 -21.528 -12.668 9.345 1.00 11.11 C ATOM 1535 SG CYS A 93 -20.287 -13.754 8.587 1.00 4.25 S ATOM 0 H CYS A 93 -20.061 -13.449 11.652 1.00 73.44 H new ATOM 0 HA CYS A 93 -22.811 -12.579 11.064 1.00 72.03 H new ATOM 0 HB2 CYS A 93 -22.420 -12.650 8.718 1.00 11.11 H new ATOM 0 HB3 CYS A 93 -21.141 -11.650 9.379 1.00 11.11 H new ATOM 0 HG CYS A 93 -20.779 -14.289 7.509 1.00 4.25 H new ATOM 1540 N ASN A 94 -23.105 -15.035 9.903 1.00 51.24 N ATOM 1541 CA ASN A 94 -23.448 -16.444 9.812 1.00 72.33 C ATOM 1542 C ASN A 94 -23.147 -16.999 8.417 1.00 71.33 C ATOM 1543 O ASN A 94 -24.060 -17.272 7.642 1.00 12.33 O ATOM 1544 CB ASN A 94 -24.936 -16.647 10.139 1.00 3.00 C ATOM 1545 CG ASN A 94 -25.307 -18.105 10.354 1.00 64.14 C ATOM 1546 OD1 ASN A 94 -25.583 -18.842 9.406 1.00 44.22 O ATOM 1547 ND2 ASN A 94 -25.342 -18.521 11.609 1.00 22.12 N ATOM 0 H ASN A 94 -23.642 -14.429 9.283 1.00 51.24 H new ATOM 0 HA ASN A 94 -22.838 -16.985 10.536 1.00 72.33 H new ATOM 0 HB2 ASN A 94 -25.185 -16.079 11.035 1.00 3.00 H new ATOM 0 HB3 ASN A 94 -25.539 -16.241 9.327 1.00 3.00 H new ATOM 0 HD21 ASN A 94 -25.605 -19.484 11.820 1.00 22.12 H new ATOM 0 HD22 ASN A 94 -25.106 -17.879 12.366 1.00 22.12 H new ATOM 1554 N CYS A 95 -21.869 -17.117 8.063 1.00 30.24 N ATOM 1555 CA CYS A 95 -21.506 -17.862 6.864 1.00 0.42 C ATOM 1556 C CYS A 95 -21.136 -19.302 7.218 1.00 24.30 C ATOM 1557 O CYS A 95 -20.642 -20.056 6.381 1.00 41.20 O ATOM 1558 CB CYS A 95 -20.363 -17.185 6.127 1.00 64.10 C ATOM 1559 SG CYS A 95 -20.860 -15.653 5.294 1.00 40.22 S ATOM 0 H CYS A 95 -21.085 -16.716 8.577 1.00 30.24 H new ATOM 0 HA CYS A 95 -22.372 -17.879 6.203 1.00 0.42 H new ATOM 0 HB2 CYS A 95 -19.563 -16.964 6.834 1.00 64.10 H new ATOM 0 HB3 CYS A 95 -19.954 -17.876 5.390 1.00 64.10 H new ATOM 0 HG CYS A 95 -20.243 -15.559 4.154 1.00 40.22 H new