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 64 SER OG : rot -147:sc= 1.13 USER MOD Set 1.2: A 69 ASN :FLIP amide:sc= 0.963 F(o=1.5,f=2.1) USER MOD Set 2.1: A 61 TYR OH : rot 120:sc= -0.435 USER MOD Set 2.2: A 63 LYS NZ :NH3+ -132:sc= 0.171 (180deg=0) USER MOD Set 3.1: A 18 CYS SG : rot 180:sc= 0.28 USER MOD Set 3.2: A 55 HIS : no HD1:sc= -0.0845 X(o=0.81,f=0.85) USER MOD Set 3.3: A 91 TYR OH : rot 150:sc= 0 USER MOD Set 3.4: A 93 CYS SG : rot -155:sc= 0.218 USER MOD Set 3.5: A 95 CYS SG : rot 139:sc= 0.392 USER MOD Single : A 7 HIS : no HD1:sc= -0.0208 X(o=-0.021,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= -0.439 X(o=-0.44,f=-0.19) USER MOD Single : A 14 LYS NZ :NH3+ 179:sc= 0.778 (180deg=0.778) USER MOD Single : A 16 GLN : amide:sc= -0.102 K(o=-0.1,f=-0.94) 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 0:sc= -3.07! USER MOD Single : A 57 ASN : amide:sc= 0.841 K(o=0.84,f=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 164:sc= -0.0444 (180deg=-0.337) USER MOD Single : A 75 LYS NZ :NH3+ -148:sc= -0.162! (180deg=-0.577) USER MOD Single : A 76 GLN : amide:sc= -0.115 K(o=-0.11,f=-0.66) USER MOD Single : A 80 LYS NZ :NH3+ -169:sc= 1.19 (180deg=0.923) USER MOD Single : A 85 LYS NZ :NH3+ 171:sc= -0.0394 (180deg=-0.22) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.0339 X(o=-0.034,f=-0.035) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 ASN :FLIP amide:sc= -0.124 F(o=-0.83,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 59 N ILE A 5 -4.451 -5.001 1.047 1.00 71.15 N ATOM 60 CA ILE A 5 -5.563 -4.949 1.972 1.00 34.34 C ATOM 61 C ILE A 5 -6.485 -6.149 1.765 1.00 52.22 C ATOM 62 O ILE A 5 -7.145 -6.617 2.694 1.00 21.12 O ATOM 63 CB ILE A 5 -6.341 -3.625 1.769 1.00 0.32 C ATOM 64 CG1 ILE A 5 -6.583 -2.923 3.108 1.00 44.11 C ATOM 65 CG2 ILE A 5 -7.652 -3.852 1.023 1.00 24.13 C ATOM 66 CD1 ILE A 5 -7.351 -3.747 4.112 1.00 54.33 C ATOM 0 HA ILE A 5 -5.182 -4.986 2.993 1.00 34.34 H new ATOM 0 HB ILE A 5 -5.724 -2.973 1.151 1.00 0.32 H new ATOM 0 HG12 ILE A 5 -5.621 -2.649 3.540 1.00 44.11 H new ATOM 0 HG13 ILE A 5 -7.126 -1.996 2.926 1.00 44.11 H new ATOM 0 HG21 ILE A 5 -8.170 -2.901 0.899 1.00 24.13 H new ATOM 0 HG22 ILE A 5 -7.443 -4.282 0.043 1.00 24.13 H new ATOM 0 HG23 ILE A 5 -8.281 -4.536 1.593 1.00 24.13 H new ATOM 0 HD11 ILE A 5 -7.478 -3.175 5.031 1.00 54.33 H new ATOM 0 HD12 ILE A 5 -8.330 -3.999 3.703 1.00 54.33 H new ATOM 0 HD13 ILE A 5 -6.801 -4.663 4.328 1.00 54.33 H new ATOM 78 N GLU A 6 -6.493 -6.653 0.538 1.00 52.51 N ATOM 79 CA GLU A 6 -7.359 -7.750 0.160 1.00 42.33 C ATOM 80 C GLU A 6 -6.978 -9.001 0.928 1.00 61.42 C ATOM 81 O GLU A 6 -7.837 -9.772 1.337 1.00 0.55 O ATOM 82 CB GLU A 6 -7.283 -8.011 -1.347 1.00 15.13 C ATOM 83 CG GLU A 6 -7.679 -6.816 -2.207 1.00 63.14 C ATOM 84 CD GLU A 6 -6.626 -5.716 -2.233 1.00 71.50 C ATOM 85 OE1 GLU A 6 -5.475 -5.966 -1.813 1.00 3.51 O ATOM 86 OE2 GLU A 6 -6.936 -4.595 -2.679 1.00 41.24 O ATOM 0 H GLU A 6 -5.899 -6.311 -0.218 1.00 52.51 H new ATOM 0 HA GLU A 6 -8.385 -7.479 0.407 1.00 42.33 H new ATOM 0 HB2 GLU A 6 -6.266 -8.308 -1.603 1.00 15.13 H new ATOM 0 HB3 GLU A 6 -7.931 -8.852 -1.592 1.00 15.13 H new ATOM 0 HG2 GLU A 6 -7.864 -7.156 -3.226 1.00 63.14 H new ATOM 0 HG3 GLU A 6 -8.616 -6.403 -1.834 1.00 63.14 H new ATOM 93 N HIS A 7 -5.686 -9.193 1.146 1.00 34.01 N ATOM 94 CA HIS A 7 -5.233 -10.315 1.946 1.00 32.44 C ATOM 95 C HIS A 7 -5.651 -10.123 3.392 1.00 41.44 C ATOM 96 O HIS A 7 -6.139 -11.054 4.021 1.00 30.44 O ATOM 97 CB HIS A 7 -3.718 -10.498 1.854 1.00 42.21 C ATOM 98 CG HIS A 7 -3.251 -10.992 0.520 1.00 43.10 C ATOM 99 ND1 HIS A 7 -2.171 -10.473 -0.154 1.00 62.21 N ATOM 100 CD2 HIS A 7 -3.735 -11.989 -0.260 1.00 74.34 C ATOM 101 CE1 HIS A 7 -2.030 -11.151 -1.299 1.00 12.51 C ATOM 102 NE2 HIS A 7 -2.959 -12.084 -1.412 1.00 31.44 N ATOM 0 H HIS A 7 -4.943 -8.594 0.785 1.00 34.01 H new ATOM 0 HA HIS A 7 -5.699 -11.218 1.551 1.00 32.44 H new ATOM 0 HB2 HIS A 7 -3.232 -9.546 2.069 1.00 42.21 H new ATOM 0 HB3 HIS A 7 -3.398 -11.200 2.624 1.00 42.21 H new ATOM 0 HD2 HIS A 7 -4.587 -12.610 -0.025 1.00 74.34 H new ATOM 0 HE1 HIS A 7 -1.260 -10.961 -2.032 1.00 12.51 H new ATOM 0 HE2 HIS A 7 -3.082 -12.739 -2.184 1.00 31.44 H new ATOM 110 N LYS A 8 -5.499 -8.898 3.896 1.00 53.43 N ATOM 111 CA LYS A 8 -5.816 -8.595 5.291 1.00 43.45 C ATOM 112 C LYS A 8 -7.275 -8.914 5.591 1.00 64.34 C ATOM 113 O LYS A 8 -7.585 -9.581 6.578 1.00 12.20 O ATOM 114 CB LYS A 8 -5.566 -7.118 5.617 1.00 55.53 C ATOM 115 CG LYS A 8 -4.304 -6.532 5.008 1.00 52.03 C ATOM 116 CD LYS A 8 -3.056 -7.313 5.382 1.00 40.12 C ATOM 117 CE LYS A 8 -1.808 -6.612 4.869 1.00 41.22 C ATOM 118 NZ LYS A 8 -0.576 -7.402 5.122 1.00 23.21 N ATOM 0 H LYS A 8 -5.159 -8.100 3.359 1.00 53.43 H new ATOM 0 HA LYS A 8 -5.163 -9.213 5.907 1.00 43.45 H new ATOM 0 HB2 LYS A 8 -6.421 -6.536 5.274 1.00 55.53 H new ATOM 0 HB3 LYS A 8 -5.516 -7.004 6.700 1.00 55.53 H new ATOM 0 HG2 LYS A 8 -4.404 -6.513 3.923 1.00 52.03 H new ATOM 0 HG3 LYS A 8 -4.193 -5.499 5.336 1.00 52.03 H new ATOM 0 HD2 LYS A 8 -2.999 -7.420 6.465 1.00 40.12 H new ATOM 0 HD3 LYS A 8 -3.112 -8.318 4.965 1.00 40.12 H new ATOM 0 HE2 LYS A 8 -1.909 -6.432 3.799 1.00 41.22 H new ATOM 0 HE3 LYS A 8 -1.718 -5.638 5.349 1.00 41.22 H new ATOM 0 HZ1 LYS A 8 0.249 -6.885 4.756 1.00 23.21 H new ATOM 0 HZ2 LYS A 8 -0.464 -7.552 6.145 1.00 23.21 H new ATOM 0 HZ3 LYS A 8 -0.649 -8.322 4.643 1.00 23.21 H new ATOM 132 N VAL A 9 -8.164 -8.434 4.727 1.00 41.33 N ATOM 133 CA VAL A 9 -9.592 -8.627 4.921 1.00 60.11 C ATOM 134 C VAL A 9 -9.964 -10.102 4.817 1.00 51.10 C ATOM 135 O VAL A 9 -10.830 -10.580 5.545 1.00 32.22 O ATOM 136 CB VAL A 9 -10.422 -7.777 3.927 1.00 34.01 C ATOM 137 CG1 VAL A 9 -10.134 -8.152 2.485 1.00 70.42 C ATOM 138 CG2 VAL A 9 -11.909 -7.893 4.217 1.00 15.03 C ATOM 0 H VAL A 9 -7.918 -7.909 3.887 1.00 41.33 H new ATOM 0 HA VAL A 9 -9.834 -8.286 5.928 1.00 60.11 H new ATOM 0 HB VAL A 9 -10.121 -6.739 4.067 1.00 34.01 H new ATOM 0 HG11 VAL A 9 -10.736 -7.532 1.821 1.00 70.42 H new ATOM 0 HG12 VAL A 9 -9.077 -7.992 2.271 1.00 70.42 H new ATOM 0 HG13 VAL A 9 -10.381 -9.202 2.326 1.00 70.42 H new ATOM 0 HG21 VAL A 9 -12.467 -7.286 3.504 1.00 15.03 H new ATOM 0 HG22 VAL A 9 -12.217 -8.935 4.126 1.00 15.03 H new ATOM 0 HG23 VAL A 9 -12.111 -7.542 5.229 1.00 15.03 H new ATOM 148 N TYR A 10 -9.286 -10.839 3.943 1.00 74.21 N ATOM 149 CA TYR A 10 -9.540 -12.268 3.822 1.00 3.23 C ATOM 150 C TYR A 10 -9.032 -12.989 5.065 1.00 64.35 C ATOM 151 O TYR A 10 -9.632 -13.956 5.510 1.00 1.24 O ATOM 152 CB TYR A 10 -8.873 -12.866 2.574 1.00 33.42 C ATOM 153 CG TYR A 10 -9.340 -12.282 1.253 1.00 15.05 C ATOM 154 CD1 TYR A 10 -10.458 -11.464 1.180 1.00 63.43 C ATOM 155 CD2 TYR A 10 -8.651 -12.550 0.075 1.00 45.42 C ATOM 156 CE1 TYR A 10 -10.879 -10.930 -0.021 1.00 74.42 C ATOM 157 CE2 TYR A 10 -9.065 -12.017 -1.132 1.00 72.25 C ATOM 158 CZ TYR A 10 -10.181 -11.209 -1.173 1.00 62.13 C ATOM 159 OH TYR A 10 -10.599 -10.671 -2.369 1.00 53.45 O ATOM 0 H TYR A 10 -8.567 -10.476 3.317 1.00 74.21 H new ATOM 0 HA TYR A 10 -10.617 -12.404 3.723 1.00 3.23 H new ATOM 0 HB2 TYR A 10 -7.795 -12.726 2.655 1.00 33.42 H new ATOM 0 HB3 TYR A 10 -9.055 -13.941 2.563 1.00 33.42 H new ATOM 0 HD1 TYR A 10 -11.010 -11.241 2.081 1.00 63.43 H new ATOM 0 HD2 TYR A 10 -7.778 -13.185 0.103 1.00 45.42 H new ATOM 0 HE1 TYR A 10 -11.753 -10.296 -0.056 1.00 74.42 H new ATOM 0 HE2 TYR A 10 -8.517 -12.233 -2.037 1.00 72.25 H new ATOM 0 HH TYR A 10 -9.999 -10.963 -3.087 1.00 53.45 H new ATOM 169 N GLN A 11 -7.942 -12.472 5.636 1.00 44.11 N ATOM 170 CA GLN A 11 -7.270 -13.110 6.774 1.00 61.04 C ATOM 171 C GLN A 11 -8.219 -13.323 7.943 1.00 44.10 C ATOM 172 O GLN A 11 -8.461 -14.457 8.370 1.00 63.21 O ATOM 173 CB GLN A 11 -6.078 -12.271 7.254 1.00 52.01 C ATOM 174 CG GLN A 11 -4.884 -12.271 6.312 1.00 33.44 C ATOM 175 CD GLN A 11 -4.340 -13.656 6.041 1.00 22.31 C ATOM 176 OE1 GLN A 11 -3.467 -14.146 6.763 1.00 13.01 O ATOM 177 NE2 GLN A 11 -4.838 -14.285 4.990 1.00 22.11 N ATOM 0 H GLN A 11 -7.501 -11.606 5.327 1.00 44.11 H new ATOM 0 HA GLN A 11 -6.918 -14.080 6.421 1.00 61.04 H new ATOM 0 HB2 GLN A 11 -6.409 -11.243 7.400 1.00 52.01 H new ATOM 0 HB3 GLN A 11 -5.757 -12.643 8.227 1.00 52.01 H new ATOM 0 HG2 GLN A 11 -5.174 -11.810 5.368 1.00 33.44 H new ATOM 0 HG3 GLN A 11 -4.093 -11.654 6.738 1.00 33.44 H new ATOM 0 HE21 GLN A 11 -5.559 -13.839 4.423 1.00 22.11 H new ATOM 0 HE22 GLN A 11 -4.501 -15.216 4.746 1.00 22.11 H new ATOM 186 N LEU A 12 -8.762 -12.227 8.440 1.00 21.22 N ATOM 187 CA LEU A 12 -9.561 -12.246 9.655 1.00 34.12 C ATOM 188 C LEU A 12 -10.997 -12.661 9.388 1.00 50.12 C ATOM 189 O LEU A 12 -11.601 -13.355 10.194 1.00 4.43 O ATOM 190 CB LEU A 12 -9.502 -10.884 10.359 1.00 44.31 C ATOM 191 CG LEU A 12 -9.192 -9.666 9.476 1.00 65.44 C ATOM 192 CD1 LEU A 12 -10.398 -9.271 8.639 1.00 60.51 C ATOM 193 CD2 LEU A 12 -8.734 -8.499 10.336 1.00 12.41 C ATOM 0 H LEU A 12 -8.664 -11.304 8.018 1.00 21.22 H new ATOM 0 HA LEU A 12 -9.132 -12.998 10.317 1.00 34.12 H new ATOM 0 HB2 LEU A 12 -10.459 -10.713 10.851 1.00 44.31 H new ATOM 0 HB3 LEU A 12 -8.746 -10.938 11.142 1.00 44.31 H new ATOM 0 HG LEU A 12 -8.388 -9.938 8.792 1.00 65.44 H new ATOM 0 HD11 LEU A 12 -10.147 -8.406 8.025 1.00 60.51 H new ATOM 0 HD12 LEU A 12 -10.682 -10.103 7.995 1.00 60.51 H new ATOM 0 HD13 LEU A 12 -11.231 -9.020 9.296 1.00 60.51 H new ATOM 0 HD21 LEU A 12 -8.517 -7.641 9.700 1.00 12.41 H new ATOM 0 HD22 LEU A 12 -9.521 -8.237 11.043 1.00 12.41 H new ATOM 0 HD23 LEU A 12 -7.835 -8.781 10.883 1.00 12.41 H new ATOM 205 N LEU A 13 -11.538 -12.261 8.255 1.00 14.44 N ATOM 206 CA LEU A 13 -12.918 -12.599 7.931 1.00 72.12 C ATOM 207 C LEU A 13 -13.115 -14.097 7.796 1.00 70.20 C ATOM 208 O LEU A 13 -14.056 -14.651 8.359 1.00 55.32 O ATOM 209 CB LEU A 13 -13.379 -11.895 6.664 1.00 34.12 C ATOM 210 CG LEU A 13 -13.583 -10.396 6.812 1.00 72.02 C ATOM 211 CD1 LEU A 13 -14.283 -9.845 5.585 1.00 52.55 C ATOM 212 CD2 LEU A 13 -14.375 -10.097 8.072 1.00 3.31 C ATOM 0 H LEU A 13 -11.054 -11.708 7.548 1.00 14.44 H new ATOM 0 HA LEU A 13 -13.530 -12.251 8.763 1.00 72.12 H new ATOM 0 HB2 LEU A 13 -12.645 -12.073 5.878 1.00 34.12 H new ATOM 0 HB3 LEU A 13 -14.315 -12.345 6.334 1.00 34.12 H new ATOM 0 HG LEU A 13 -12.612 -9.909 6.900 1.00 72.02 H new ATOM 0 HD11 LEU A 13 -14.425 -8.770 5.699 1.00 52.55 H new ATOM 0 HD12 LEU A 13 -13.675 -10.039 4.701 1.00 52.55 H new ATOM 0 HD13 LEU A 13 -15.253 -10.329 5.471 1.00 52.55 H new ATOM 0 HD21 LEU A 13 -14.515 -9.020 8.167 1.00 3.31 H new ATOM 0 HD22 LEU A 13 -15.348 -10.585 8.015 1.00 3.31 H new ATOM 0 HD23 LEU A 13 -13.832 -10.470 8.940 1.00 3.31 H new ATOM 224 N LYS A 14 -12.231 -14.753 7.059 1.00 22.22 N ATOM 225 CA LYS A 14 -12.309 -16.202 6.897 1.00 43.43 C ATOM 226 C LYS A 14 -12.067 -16.891 8.242 1.00 2.43 C ATOM 227 O LYS A 14 -12.521 -18.011 8.476 1.00 32.30 O ATOM 228 CB LYS A 14 -11.306 -16.674 5.829 1.00 22.44 C ATOM 229 CG LYS A 14 -9.849 -16.727 6.288 1.00 34.11 C ATOM 230 CD LYS A 14 -9.473 -18.084 6.864 1.00 3.41 C ATOM 231 CE LYS A 14 -8.006 -18.134 7.267 1.00 1.04 C ATOM 232 NZ LYS A 14 -7.715 -17.281 8.453 1.00 52.24 N ATOM 0 H LYS A 14 -11.455 -14.311 6.566 1.00 22.22 H new ATOM 0 HA LYS A 14 -13.307 -16.474 6.555 1.00 43.43 H new ATOM 0 HB2 LYS A 14 -11.600 -17.667 5.490 1.00 22.44 H new ATOM 0 HB3 LYS A 14 -11.376 -16.009 4.968 1.00 22.44 H new ATOM 0 HG2 LYS A 14 -9.197 -16.499 5.445 1.00 34.11 H new ATOM 0 HG3 LYS A 14 -9.679 -15.956 7.040 1.00 34.11 H new ATOM 0 HD2 LYS A 14 -10.097 -18.297 7.732 1.00 3.41 H new ATOM 0 HD3 LYS A 14 -9.675 -18.861 6.127 1.00 3.41 H new ATOM 0 HE2 LYS A 14 -7.727 -19.165 7.486 1.00 1.04 H new ATOM 0 HE3 LYS A 14 -7.390 -17.809 6.429 1.00 1.04 H new ATOM 0 HZ1 LYS A 14 -6.708 -17.361 8.699 1.00 52.24 H new ATOM 0 HZ2 LYS A 14 -7.940 -16.290 8.231 1.00 52.24 H new ATOM 0 HZ3 LYS A 14 -8.294 -17.596 9.257 1.00 52.24 H new ATOM 246 N ASP A 15 -11.365 -16.189 9.127 1.00 14.53 N ATOM 247 CA ASP A 15 -11.077 -16.681 10.470 1.00 51.43 C ATOM 248 C ASP A 15 -12.326 -16.639 11.338 1.00 31.41 C ATOM 249 O ASP A 15 -12.650 -17.608 12.027 1.00 3.12 O ATOM 250 CB ASP A 15 -9.975 -15.835 11.105 1.00 14.34 C ATOM 251 CG ASP A 15 -9.666 -16.241 12.530 1.00 62.03 C ATOM 252 OD1 ASP A 15 -9.157 -17.358 12.734 1.00 30.14 O ATOM 253 OD2 ASP A 15 -9.919 -15.434 13.450 1.00 71.20 O ATOM 0 H ASP A 15 -10.980 -15.264 8.933 1.00 14.53 H new ATOM 0 HA ASP A 15 -10.743 -17.716 10.396 1.00 51.43 H new ATOM 0 HB2 ASP A 15 -9.069 -15.918 10.505 1.00 14.34 H new ATOM 0 HB3 ASP A 15 -10.274 -14.787 11.088 1.00 14.34 H new ATOM 258 N GLN A 16 -13.026 -15.513 11.286 1.00 21.14 N ATOM 259 CA GLN A 16 -14.269 -15.345 12.037 1.00 20.34 C ATOM 260 C GLN A 16 -15.323 -16.301 11.516 1.00 13.13 C ATOM 261 O GLN A 16 -16.161 -16.798 12.263 1.00 55.12 O ATOM 262 CB GLN A 16 -14.803 -13.916 11.923 1.00 42.23 C ATOM 263 CG GLN A 16 -13.768 -12.849 12.149 1.00 55.20 C ATOM 264 CD GLN A 16 -14.272 -11.753 13.059 1.00 4.41 C ATOM 265 OE1 GLN A 16 -15.045 -11.993 13.985 1.00 23.20 O ATOM 266 NE2 GLN A 16 -13.880 -10.537 12.757 1.00 5.31 N ATOM 0 H GLN A 16 -12.756 -14.700 10.732 1.00 21.14 H new ATOM 0 HA GLN A 16 -14.051 -15.557 13.084 1.00 20.34 H new ATOM 0 HB2 GLN A 16 -15.237 -13.781 10.932 1.00 42.23 H new ATOM 0 HB3 GLN A 16 -15.609 -13.783 12.645 1.00 42.23 H new ATOM 0 HG2 GLN A 16 -12.874 -13.297 12.583 1.00 55.20 H new ATOM 0 HG3 GLN A 16 -13.476 -12.419 11.191 1.00 55.20 H new ATOM 0 HE21 GLN A 16 -13.237 -10.387 11.979 1.00 5.31 H new ATOM 0 HE22 GLN A 16 -14.218 -9.743 13.300 1.00 5.31 H new ATOM 275 N GLY A 17 -15.269 -16.549 10.222 1.00 65.04 N ATOM 276 CA GLY A 17 -16.227 -17.426 9.602 1.00 53.43 C ATOM 277 C GLY A 17 -17.000 -16.735 8.508 1.00 54.30 C ATOM 278 O GLY A 17 -18.201 -16.955 8.343 1.00 54.55 O ATOM 0 H GLY A 17 -14.574 -16.155 9.588 1.00 65.04 H new ATOM 0 HA2 GLY A 17 -15.711 -18.293 9.189 1.00 53.43 H new ATOM 0 HA3 GLY A 17 -16.920 -17.797 10.357 1.00 53.43 H new ATOM 282 N CYS A 18 -16.333 -15.858 7.778 1.00 54.10 N ATOM 283 CA CYS A 18 -16.958 -15.233 6.627 1.00 43.02 C ATOM 284 C CYS A 18 -16.335 -15.739 5.332 1.00 74.31 C ATOM 285 O CYS A 18 -15.142 -16.023 5.279 1.00 62.55 O ATOM 286 CB CYS A 18 -16.849 -13.711 6.689 1.00 54.41 C ATOM 287 SG CYS A 18 -18.163 -12.884 5.738 1.00 65.23 S ATOM 0 H CYS A 18 -15.372 -15.566 7.958 1.00 54.10 H new ATOM 0 HA CYS A 18 -18.014 -15.504 6.646 1.00 43.02 H new ATOM 0 HB2 CYS A 18 -16.898 -13.388 7.729 1.00 54.41 H new ATOM 0 HB3 CYS A 18 -15.877 -13.403 6.305 1.00 54.41 H new ATOM 0 HG CYS A 18 -18.019 -11.595 5.830 1.00 65.23 H new ATOM 292 N GLU A 19 -17.161 -15.855 4.298 1.00 30.31 N ATOM 293 CA GLU A 19 -16.704 -16.265 2.975 1.00 24.23 C ATOM 294 C GLU A 19 -17.292 -15.341 1.905 1.00 70.01 C ATOM 295 O GLU A 19 -16.922 -15.396 0.732 1.00 44.11 O ATOM 296 CB GLU A 19 -17.123 -17.717 2.735 1.00 2.20 C ATOM 297 CG GLU A 19 -16.799 -18.252 1.353 1.00 4.14 C ATOM 298 CD GLU A 19 -17.104 -19.729 1.233 1.00 2.14 C ATOM 299 OE1 GLU A 19 -18.290 -20.085 1.076 1.00 44.20 O ATOM 300 OE2 GLU A 19 -16.163 -20.544 1.333 1.00 41.24 O ATOM 0 H GLU A 19 -18.162 -15.668 4.353 1.00 30.31 H new ATOM 0 HA GLU A 19 -15.618 -16.193 2.917 1.00 24.23 H new ATOM 0 HB2 GLU A 19 -16.635 -18.349 3.477 1.00 2.20 H new ATOM 0 HB3 GLU A 19 -18.197 -17.803 2.900 1.00 2.20 H new ATOM 0 HG2 GLU A 19 -17.372 -17.701 0.607 1.00 4.14 H new ATOM 0 HG3 GLU A 19 -15.745 -18.080 1.135 1.00 4.14 H new ATOM 307 N ASP A 20 -18.169 -14.449 2.338 1.00 61.10 N ATOM 308 CA ASP A 20 -18.919 -13.609 1.421 1.00 23.44 C ATOM 309 C ASP A 20 -18.386 -12.184 1.450 1.00 42.20 C ATOM 310 O ASP A 20 -18.820 -11.355 2.259 1.00 23.33 O ATOM 311 CB ASP A 20 -20.402 -13.619 1.785 1.00 52.11 C ATOM 312 CG ASP A 20 -21.263 -12.947 0.733 1.00 64.51 C ATOM 313 OD1 ASP A 20 -21.362 -11.708 0.739 1.00 41.14 O ATOM 314 OD2 ASP A 20 -21.838 -13.663 -0.114 1.00 4.44 O ATOM 0 H ASP A 20 -18.379 -14.289 3.323 1.00 61.10 H new ATOM 0 HA ASP A 20 -18.801 -14.007 0.413 1.00 23.44 H new ATOM 0 HB2 ASP A 20 -20.733 -14.649 1.917 1.00 52.11 H new ATOM 0 HB3 ASP A 20 -20.542 -13.114 2.741 1.00 52.11 H new ATOM 319 N PHE A 21 -17.397 -11.938 0.610 1.00 23.44 N ATOM 320 CA PHE A 21 -16.784 -10.619 0.482 1.00 5.44 C ATOM 321 C PHE A 21 -15.888 -10.566 -0.753 1.00 32.35 C ATOM 322 O PHE A 21 -15.284 -11.572 -1.136 1.00 61.03 O ATOM 323 CB PHE A 21 -15.985 -10.256 1.747 1.00 72.32 C ATOM 324 CG PHE A 21 -15.153 -11.379 2.316 1.00 53.34 C ATOM 325 CD1 PHE A 21 -13.863 -11.613 1.872 1.00 51.32 C ATOM 326 CD2 PHE A 21 -15.665 -12.194 3.311 1.00 3.22 C ATOM 327 CE1 PHE A 21 -13.105 -12.634 2.411 1.00 62.44 C ATOM 328 CE2 PHE A 21 -14.914 -13.215 3.847 1.00 31.21 C ATOM 329 CZ PHE A 21 -13.631 -13.437 3.397 1.00 24.00 C ATOM 0 H PHE A 21 -16.993 -12.644 -0.005 1.00 23.44 H new ATOM 0 HA PHE A 21 -17.581 -9.884 0.365 1.00 5.44 H new ATOM 0 HB2 PHE A 21 -15.328 -9.417 1.516 1.00 72.32 H new ATOM 0 HB3 PHE A 21 -16.681 -9.914 2.513 1.00 72.32 H new ATOM 0 HD1 PHE A 21 -13.444 -10.990 1.095 1.00 51.32 H new ATOM 0 HD2 PHE A 21 -16.669 -12.026 3.672 1.00 3.22 H new ATOM 0 HE1 PHE A 21 -12.098 -12.802 2.058 1.00 62.44 H new ATOM 0 HE2 PHE A 21 -15.331 -13.843 4.621 1.00 31.21 H new ATOM 0 HZ PHE A 21 -13.040 -14.238 3.816 1.00 24.00 H new ATOM 339 N GLY A 22 -15.814 -9.397 -1.373 1.00 44.03 N ATOM 340 CA GLY A 22 -15.016 -9.233 -2.572 1.00 63.24 C ATOM 341 C GLY A 22 -14.853 -7.777 -2.940 1.00 32.45 C ATOM 342 O GLY A 22 -15.235 -6.898 -2.174 1.00 43.40 O ATOM 0 H GLY A 22 -16.296 -8.553 -1.064 1.00 44.03 H new ATOM 0 HA2 GLY A 22 -14.034 -9.682 -2.420 1.00 63.24 H new ATOM 0 HA3 GLY A 22 -15.486 -9.767 -3.398 1.00 63.24 H new ATOM 346 N THR A 23 -14.288 -7.516 -4.105 1.00 23.02 N ATOM 347 CA THR A 23 -14.059 -6.151 -4.554 1.00 23.11 C ATOM 348 C THR A 23 -14.665 -5.919 -5.932 1.00 54.13 C ATOM 349 O THR A 23 -14.720 -6.836 -6.754 1.00 64.02 O ATOM 350 CB THR A 23 -12.551 -5.830 -4.610 1.00 74.42 C ATOM 351 OG1 THR A 23 -11.842 -6.883 -5.282 1.00 3.51 O ATOM 352 CG2 THR A 23 -11.979 -5.642 -3.217 1.00 20.30 C ATOM 0 H THR A 23 -13.978 -8.233 -4.761 1.00 23.02 H new ATOM 0 HA THR A 23 -14.541 -5.492 -3.832 1.00 23.11 H new ATOM 0 HB THR A 23 -12.429 -4.899 -5.164 1.00 74.42 H new ATOM 0 HG1 THR A 23 -10.887 -6.667 -5.312 1.00 3.51 H new ATOM 0 HG21 THR A 23 -10.915 -5.417 -3.288 1.00 20.30 H new ATOM 0 HG22 THR A 23 -12.492 -4.818 -2.721 1.00 20.30 H new ATOM 0 HG23 THR A 23 -12.119 -6.556 -2.640 1.00 20.30 H new ATOM 360 N LYS A 24 -15.136 -4.704 -6.181 1.00 15.51 N ATOM 361 CA LYS A 24 -15.600 -4.339 -7.511 1.00 23.21 C ATOM 362 C LYS A 24 -14.679 -3.281 -8.111 1.00 33.21 C ATOM 363 O LYS A 24 -14.245 -2.352 -7.424 1.00 24.11 O ATOM 364 CB LYS A 24 -17.057 -3.830 -7.497 1.00 51.53 C ATOM 365 CG LYS A 24 -17.228 -2.405 -6.981 1.00 30.42 C ATOM 366 CD LYS A 24 -18.553 -1.804 -7.431 1.00 12.14 C ATOM 367 CE LYS A 24 -18.609 -0.305 -7.175 1.00 11.32 C ATOM 368 NZ LYS A 24 -19.870 0.304 -7.683 1.00 51.00 N ATOM 0 H LYS A 24 -15.206 -3.961 -5.486 1.00 15.51 H new ATOM 0 HA LYS A 24 -15.575 -5.238 -8.127 1.00 23.21 H new ATOM 0 HB2 LYS A 24 -17.457 -3.886 -8.509 1.00 51.53 H new ATOM 0 HB3 LYS A 24 -17.656 -4.500 -6.880 1.00 51.53 H new ATOM 0 HG2 LYS A 24 -17.177 -2.403 -5.892 1.00 30.42 H new ATOM 0 HG3 LYS A 24 -16.406 -1.786 -7.340 1.00 30.42 H new ATOM 0 HD2 LYS A 24 -18.697 -1.997 -8.494 1.00 12.14 H new ATOM 0 HD3 LYS A 24 -19.372 -2.294 -6.904 1.00 12.14 H new ATOM 0 HE2 LYS A 24 -18.522 -0.117 -6.105 1.00 11.32 H new ATOM 0 HE3 LYS A 24 -17.756 0.176 -7.654 1.00 11.32 H new ATOM 0 HZ1 LYS A 24 -19.866 1.325 -7.487 1.00 51.00 H new ATOM 0 HZ2 LYS A 24 -19.942 0.148 -8.709 1.00 51.00 H new ATOM 0 HZ3 LYS A 24 -20.684 -0.136 -7.208 1.00 51.00 H new ATOM 743 N TYR A 47 -14.535 7.716 -14.300 1.00 21.42 N ATOM 744 CA TYR A 47 -13.886 7.450 -13.034 1.00 45.04 C ATOM 745 C TYR A 47 -13.944 5.970 -12.728 1.00 24.43 C ATOM 746 O TYR A 47 -14.856 5.274 -13.163 1.00 61.12 O ATOM 747 CB TYR A 47 -14.558 8.234 -11.900 1.00 20.12 C ATOM 748 CG TYR A 47 -14.398 9.735 -11.995 1.00 14.04 C ATOM 749 CD1 TYR A 47 -15.208 10.491 -12.833 1.00 1.11 C ATOM 750 CD2 TYR A 47 -13.443 10.397 -11.237 1.00 63.14 C ATOM 751 CE1 TYR A 47 -15.066 11.861 -12.917 1.00 13.00 C ATOM 752 CE2 TYR A 47 -13.297 11.767 -11.313 1.00 3.30 C ATOM 753 CZ TYR A 47 -14.110 12.494 -12.153 1.00 20.32 C ATOM 754 OH TYR A 47 -13.966 13.861 -12.232 1.00 31.12 O ATOM 0 HA TYR A 47 -12.846 7.769 -13.109 1.00 45.04 H new ATOM 0 HB2 TYR A 47 -15.621 7.995 -11.890 1.00 20.12 H new ATOM 0 HB3 TYR A 47 -14.146 7.897 -10.949 1.00 20.12 H new ATOM 0 HD1 TYR A 47 -15.962 9.998 -13.429 1.00 1.11 H new ATOM 0 HD2 TYR A 47 -12.803 9.831 -10.576 1.00 63.14 H new ATOM 0 HE1 TYR A 47 -15.700 12.434 -13.578 1.00 13.00 H new ATOM 0 HE2 TYR A 47 -12.548 12.267 -10.716 1.00 3.30 H new ATOM 0 HH TYR A 47 -13.249 14.150 -11.629 1.00 31.12 H new ATOM 764 N TYR A 48 -12.962 5.491 -12.001 1.00 63.11 N ATOM 765 CA TYR A 48 -12.976 4.128 -11.526 1.00 20.24 C ATOM 766 C TYR A 48 -13.708 4.060 -10.193 1.00 20.51 C ATOM 767 O TYR A 48 -13.289 4.683 -9.214 1.00 60.12 O ATOM 768 CB TYR A 48 -11.556 3.592 -11.374 1.00 2.14 C ATOM 769 CG TYR A 48 -10.973 3.019 -12.647 1.00 21.41 C ATOM 770 CD1 TYR A 48 -10.541 3.842 -13.682 1.00 40.22 C ATOM 771 CD2 TYR A 48 -10.839 1.647 -12.804 1.00 34.11 C ATOM 772 CE1 TYR A 48 -9.997 3.310 -14.835 1.00 1.41 C ATOM 773 CE2 TYR A 48 -10.293 1.107 -13.952 1.00 72.11 C ATOM 774 CZ TYR A 48 -9.870 1.943 -14.963 1.00 60.12 C ATOM 775 OH TYR A 48 -9.327 1.409 -16.111 1.00 62.41 O ATOM 0 H TYR A 48 -12.140 6.028 -11.725 1.00 63.11 H new ATOM 0 HA TYR A 48 -13.496 3.508 -12.257 1.00 20.24 H new ATOM 0 HB2 TYR A 48 -10.911 4.397 -11.022 1.00 2.14 H new ATOM 0 HB3 TYR A 48 -11.551 2.820 -10.605 1.00 2.14 H new ATOM 0 HD1 TYR A 48 -10.632 4.914 -13.583 1.00 40.22 H new ATOM 0 HD2 TYR A 48 -11.168 0.989 -12.013 1.00 34.11 H new ATOM 0 HE1 TYR A 48 -9.673 3.962 -15.633 1.00 1.41 H new ATOM 0 HE2 TYR A 48 -10.198 0.036 -14.057 1.00 72.11 H new ATOM 0 HH TYR A 48 -9.308 0.432 -16.040 1.00 62.41 H new ATOM 785 N GLY A 49 -14.811 3.334 -10.168 1.00 10.24 N ATOM 786 CA GLY A 49 -15.578 3.186 -8.951 1.00 72.25 C ATOM 787 C GLY A 49 -15.167 1.951 -8.179 1.00 62.21 C ATOM 788 O GLY A 49 -15.792 0.894 -8.303 1.00 31.41 O ATOM 0 H GLY A 49 -15.192 2.840 -10.975 1.00 10.24 H new ATOM 0 HA2 GLY A 49 -15.443 4.068 -8.326 1.00 72.25 H new ATOM 0 HA3 GLY A 49 -16.639 3.127 -9.194 1.00 72.25 H new ATOM 792 N PHE A 50 -14.101 2.076 -7.403 1.00 44.13 N ATOM 793 CA PHE A 50 -13.629 0.978 -6.576 1.00 2.14 C ATOM 794 C PHE A 50 -14.476 0.853 -5.327 1.00 50.30 C ATOM 795 O PHE A 50 -14.856 1.855 -4.724 1.00 14.24 O ATOM 796 CB PHE A 50 -12.167 1.178 -6.186 1.00 12.14 C ATOM 797 CG PHE A 50 -11.220 0.393 -7.037 1.00 62.44 C ATOM 798 CD1 PHE A 50 -10.735 0.913 -8.221 1.00 51.14 C ATOM 799 CD2 PHE A 50 -10.823 -0.876 -6.654 1.00 15.21 C ATOM 800 CE1 PHE A 50 -9.870 0.186 -9.004 1.00 51.53 C ATOM 801 CE2 PHE A 50 -9.956 -1.610 -7.433 1.00 34.14 C ATOM 802 CZ PHE A 50 -9.477 -1.077 -8.614 1.00 53.33 C ATOM 0 H PHE A 50 -13.546 2.929 -7.329 1.00 44.13 H new ATOM 0 HA PHE A 50 -13.713 0.061 -7.159 1.00 2.14 H new ATOM 0 HB2 PHE A 50 -11.919 2.237 -6.259 1.00 12.14 H new ATOM 0 HB3 PHE A 50 -12.033 0.890 -5.143 1.00 12.14 H new ATOM 0 HD1 PHE A 50 -11.038 1.901 -8.535 1.00 51.14 H new ATOM 0 HD2 PHE A 50 -11.198 -1.296 -5.732 1.00 15.21 H new ATOM 0 HE1 PHE A 50 -9.497 0.605 -9.927 1.00 51.53 H new ATOM 0 HE2 PHE A 50 -9.652 -2.598 -7.122 1.00 34.14 H new ATOM 0 HZ PHE A 50 -8.797 -1.647 -9.230 1.00 53.33 H new ATOM 812 N SER A 51 -14.781 -0.374 -4.946 1.00 53.44 N ATOM 813 CA SER A 51 -15.578 -0.604 -3.762 1.00 14.13 C ATOM 814 C SER A 51 -15.423 -2.042 -3.277 1.00 44.31 C ATOM 815 O SER A 51 -15.357 -2.973 -4.080 1.00 32.12 O ATOM 816 CB SER A 51 -17.044 -0.295 -4.070 1.00 51.25 C ATOM 817 OG SER A 51 -17.816 -0.208 -2.891 1.00 51.21 O ATOM 0 H SER A 51 -14.490 -1.219 -5.437 1.00 53.44 H new ATOM 0 HA SER A 51 -15.232 0.055 -2.966 1.00 14.13 H new ATOM 0 HB2 SER A 51 -17.111 0.644 -4.619 1.00 51.25 H new ATOM 0 HB3 SER A 51 -17.452 -1.072 -4.716 1.00 51.25 H new ATOM 0 HG SER A 51 -17.242 -0.362 -2.112 1.00 51.21 H new ATOM 823 N PHE A 52 -15.355 -2.212 -1.964 1.00 14.22 N ATOM 824 CA PHE A 52 -15.272 -3.532 -1.369 1.00 75.23 C ATOM 825 C PHE A 52 -16.653 -3.974 -0.906 1.00 73.44 C ATOM 826 O PHE A 52 -17.301 -3.287 -0.103 1.00 14.31 O ATOM 827 CB PHE A 52 -14.298 -3.555 -0.188 1.00 33.53 C ATOM 828 CG PHE A 52 -14.108 -4.931 0.385 1.00 12.21 C ATOM 829 CD1 PHE A 52 -14.969 -5.422 1.354 1.00 52.11 C ATOM 830 CD2 PHE A 52 -13.078 -5.740 -0.060 1.00 2.23 C ATOM 831 CE1 PHE A 52 -14.803 -6.692 1.869 1.00 60.14 C ATOM 832 CE2 PHE A 52 -12.908 -7.012 0.448 1.00 21.41 C ATOM 833 CZ PHE A 52 -13.773 -7.488 1.412 1.00 42.33 C ATOM 0 H PHE A 52 -15.356 -1.446 -1.290 1.00 14.22 H new ATOM 0 HA PHE A 52 -14.898 -4.221 -2.127 1.00 75.23 H new ATOM 0 HB2 PHE A 52 -13.333 -3.165 -0.512 1.00 33.53 H new ATOM 0 HB3 PHE A 52 -14.665 -2.889 0.593 1.00 33.53 H new ATOM 0 HD1 PHE A 52 -15.779 -4.804 1.710 1.00 52.11 H new ATOM 0 HD2 PHE A 52 -12.398 -5.372 -0.814 1.00 2.23 H new ATOM 0 HE1 PHE A 52 -15.477 -7.061 2.627 1.00 60.14 H new ATOM 0 HE2 PHE A 52 -12.100 -7.633 0.092 1.00 21.41 H new ATOM 0 HZ PHE A 52 -13.644 -8.484 1.809 1.00 42.33 H new ATOM 843 N PHE A 53 -17.073 -5.127 -1.402 1.00 52.32 N ATOM 844 CA PHE A 53 -18.379 -5.680 -1.100 1.00 44.22 C ATOM 845 C PHE A 53 -18.319 -6.667 0.055 1.00 42.32 C ATOM 846 O PHE A 53 -17.408 -7.489 0.148 1.00 24.11 O ATOM 847 CB PHE A 53 -18.966 -6.356 -2.334 1.00 24.31 C ATOM 848 CG PHE A 53 -19.950 -5.487 -3.051 1.00 62.33 C ATOM 849 CD1 PHE A 53 -21.270 -5.467 -2.644 1.00 11.44 C ATOM 850 CD2 PHE A 53 -19.562 -4.685 -4.113 1.00 63.34 C ATOM 851 CE1 PHE A 53 -22.191 -4.657 -3.275 1.00 24.52 C ATOM 852 CE2 PHE A 53 -20.481 -3.875 -4.754 1.00 64.41 C ATOM 853 CZ PHE A 53 -21.798 -3.863 -4.333 1.00 71.42 C ATOM 0 H PHE A 53 -16.513 -5.706 -2.028 1.00 52.32 H new ATOM 0 HA PHE A 53 -19.024 -4.854 -0.800 1.00 44.22 H new ATOM 0 HB2 PHE A 53 -18.159 -6.624 -3.016 1.00 24.31 H new ATOM 0 HB3 PHE A 53 -19.455 -7.284 -2.038 1.00 24.31 H new ATOM 0 HD1 PHE A 53 -21.585 -6.093 -1.822 1.00 11.44 H new ATOM 0 HD2 PHE A 53 -18.533 -4.693 -4.442 1.00 63.34 H new ATOM 0 HE1 PHE A 53 -23.218 -4.644 -2.942 1.00 24.52 H new ATOM 0 HE2 PHE A 53 -20.171 -3.253 -5.581 1.00 64.41 H new ATOM 0 HZ PHE A 53 -22.519 -3.232 -4.832 1.00 71.42 H new ATOM 863 N ARG A 54 -19.306 -6.571 0.926 1.00 4.24 N ATOM 864 CA ARG A 54 -19.405 -7.424 2.096 1.00 20.14 C ATOM 865 C ARG A 54 -20.866 -7.792 2.340 1.00 44.20 C ATOM 866 O ARG A 54 -21.643 -6.956 2.800 1.00 41.04 O ATOM 867 CB ARG A 54 -18.836 -6.683 3.307 1.00 35.21 C ATOM 868 CG ARG A 54 -19.184 -7.303 4.648 1.00 22.43 C ATOM 869 CD ARG A 54 -18.619 -8.705 4.797 1.00 11.03 C ATOM 870 NE ARG A 54 -18.770 -9.188 6.163 1.00 43.40 N ATOM 871 CZ ARG A 54 -17.855 -8.993 7.105 1.00 52.20 C ATOM 872 NH1 ARG A 54 -16.755 -8.321 6.810 1.00 65.12 N ATOM 873 NH2 ARG A 54 -18.048 -9.438 8.344 1.00 10.14 N ATOM 0 H ARG A 54 -20.066 -5.896 0.841 1.00 4.24 H new ATOM 0 HA ARG A 54 -18.836 -8.339 1.936 1.00 20.14 H new ATOM 0 HB2 ARG A 54 -17.751 -6.639 3.213 1.00 35.21 H new ATOM 0 HB3 ARG A 54 -19.199 -5.655 3.291 1.00 35.21 H new ATOM 0 HG2 ARG A 54 -18.800 -6.671 5.449 1.00 22.43 H new ATOM 0 HG3 ARG A 54 -20.268 -7.336 4.761 1.00 22.43 H new ATOM 0 HD2 ARG A 54 -19.129 -9.381 4.110 1.00 11.03 H new ATOM 0 HD3 ARG A 54 -17.564 -8.707 4.522 1.00 11.03 H new ATOM 0 HE ARG A 54 -19.618 -9.700 6.407 1.00 43.40 H new ATOM 0 HH11 ARG A 54 -16.616 -7.959 5.867 1.00 65.12 H new ATOM 0 HH12 ARG A 54 -16.045 -8.165 7.526 1.00 65.12 H new ATOM 0 HH21 ARG A 54 -18.907 -9.936 8.579 1.00 10.14 H new ATOM 0 HH22 ARG A 54 -17.337 -9.282 9.059 1.00 10.14 H new ATOM 887 N HIS A 55 -21.244 -9.029 2.010 1.00 34.22 N ATOM 888 CA HIS A 55 -22.635 -9.482 2.166 1.00 23.43 C ATOM 889 C HIS A 55 -23.591 -8.619 1.346 1.00 54.24 C ATOM 890 O HIS A 55 -24.755 -8.449 1.704 1.00 61.34 O ATOM 891 CB HIS A 55 -23.055 -9.463 3.641 1.00 32.04 C ATOM 892 CG HIS A 55 -22.727 -10.718 4.386 1.00 23.15 C ATOM 893 ND1 HIS A 55 -23.682 -11.584 4.874 1.00 31.41 N ATOM 894 CD2 HIS A 55 -21.528 -11.239 4.747 1.00 24.14 C ATOM 895 CE1 HIS A 55 -23.048 -12.581 5.501 1.00 45.22 C ATOM 896 NE2 HIS A 55 -21.740 -12.419 5.449 1.00 41.23 N ATOM 0 H HIS A 55 -20.612 -9.735 1.634 1.00 34.22 H new ATOM 0 HA HIS A 55 -22.688 -10.506 1.797 1.00 23.43 H new ATOM 0 HB2 HIS A 55 -22.568 -8.622 4.135 1.00 32.04 H new ATOM 0 HB3 HIS A 55 -24.129 -9.289 3.699 1.00 32.04 H new ATOM 0 HD2 HIS A 55 -20.564 -10.806 4.525 1.00 24.14 H new ATOM 0 HE1 HIS A 55 -23.542 -13.410 5.986 1.00 45.22 H new ATOM 0 HE2 HIS A 55 -21.029 -13.035 5.844 1.00 41.23 H new ATOM 904 N GLY A 56 -23.095 -8.085 0.240 1.00 4.23 N ATOM 905 CA GLY A 56 -23.907 -7.220 -0.594 1.00 3.41 C ATOM 906 C GLY A 56 -23.902 -5.783 -0.113 1.00 71.30 C ATOM 907 O GLY A 56 -24.500 -4.910 -0.739 1.00 5.42 O ATOM 0 H GLY A 56 -22.144 -8.235 -0.096 1.00 4.23 H new ATOM 0 HA2 GLY A 56 -23.539 -7.258 -1.619 1.00 3.41 H new ATOM 0 HA3 GLY A 56 -24.932 -7.592 -0.609 1.00 3.41 H new ATOM 911 N ASN A 57 -23.236 -5.538 1.007 1.00 71.20 N ATOM 912 CA ASN A 57 -23.107 -4.187 1.532 1.00 75.31 C ATOM 913 C ASN A 57 -21.772 -3.613 1.111 1.00 74.21 C ATOM 914 O ASN A 57 -20.946 -4.310 0.519 1.00 32.31 O ATOM 915 CB ASN A 57 -23.202 -4.155 3.063 1.00 23.15 C ATOM 916 CG ASN A 57 -24.352 -4.973 3.606 1.00 71.13 C ATOM 917 OD1 ASN A 57 -25.491 -4.512 3.674 1.00 43.35 O ATOM 918 ND2 ASN A 57 -24.046 -6.186 4.023 1.00 40.32 N ATOM 0 H ASN A 57 -22.778 -6.256 1.568 1.00 71.20 H new ATOM 0 HA ASN A 57 -23.928 -3.594 1.129 1.00 75.31 H new ATOM 0 HB2 ASN A 57 -22.269 -4.526 3.486 1.00 23.15 H new ATOM 0 HB3 ASN A 57 -23.312 -3.122 3.392 1.00 23.15 H new ATOM 0 HD21 ASN A 57 -24.768 -6.785 4.422 1.00 40.32 H new ATOM 0 HD22 ASN A 57 -23.087 -6.525 3.946 1.00 40.32 H new ATOM 925 N ILE A 58 -21.549 -2.359 1.440 1.00 61.11 N ATOM 926 CA ILE A 58 -20.319 -1.691 1.070 1.00 54.23 C ATOM 927 C ILE A 58 -19.528 -1.297 2.304 1.00 73.31 C ATOM 928 O ILE A 58 -20.017 -0.578 3.178 1.00 33.31 O ATOM 929 CB ILE A 58 -20.591 -0.452 0.193 1.00 20.45 C ATOM 930 CG1 ILE A 58 -21.130 -0.896 -1.166 1.00 73.43 C ATOM 931 CG2 ILE A 58 -19.328 0.387 0.026 1.00 33.34 C ATOM 932 CD1 ILE A 58 -20.150 -1.730 -1.959 1.00 61.52 C ATOM 0 H ILE A 58 -22.205 -1.780 1.964 1.00 61.11 H new ATOM 0 HA ILE A 58 -19.728 -2.395 0.485 1.00 54.23 H new ATOM 0 HB ILE A 58 -21.337 0.171 0.686 1.00 20.45 H new ATOM 0 HG12 ILE A 58 -22.045 -1.469 -1.016 1.00 73.43 H new ATOM 0 HG13 ILE A 58 -21.398 -0.014 -1.747 1.00 73.43 H new ATOM 0 HG21 ILE A 58 -19.547 1.254 -0.597 1.00 33.34 H new ATOM 0 HG22 ILE A 58 -18.981 0.721 1.004 1.00 33.34 H new ATOM 0 HG23 ILE A 58 -18.552 -0.214 -0.449 1.00 33.34 H new ATOM 0 HD11 ILE A 58 -20.598 -2.010 -2.912 1.00 61.52 H new ATOM 0 HD12 ILE A 58 -19.244 -1.152 -2.140 1.00 61.52 H new ATOM 0 HD13 ILE A 58 -19.900 -2.630 -1.397 1.00 61.52 H new ATOM 944 N VAL A 59 -18.317 -1.805 2.376 1.00 35.32 N ATOM 945 CA VAL A 59 -17.409 -1.478 3.464 1.00 54.14 C ATOM 946 C VAL A 59 -16.385 -0.451 2.993 1.00 23.22 C ATOM 947 O VAL A 59 -16.037 0.488 3.714 1.00 13.05 O ATOM 948 CB VAL A 59 -16.688 -2.740 3.996 1.00 25.33 C ATOM 949 CG1 VAL A 59 -15.656 -2.376 5.054 1.00 54.11 C ATOM 950 CG2 VAL A 59 -17.695 -3.733 4.562 1.00 35.22 C ATOM 0 H VAL A 59 -17.932 -2.453 1.689 1.00 35.32 H new ATOM 0 HA VAL A 59 -17.996 -1.058 4.281 1.00 54.14 H new ATOM 0 HB VAL A 59 -16.168 -3.206 3.159 1.00 25.33 H new ATOM 0 HG11 VAL A 59 -15.165 -3.282 5.410 1.00 54.11 H new ATOM 0 HG12 VAL A 59 -14.913 -1.706 4.622 1.00 54.11 H new ATOM 0 HG13 VAL A 59 -16.150 -1.879 5.889 1.00 54.11 H new ATOM 0 HG21 VAL A 59 -17.169 -4.614 4.931 1.00 35.22 H new ATOM 0 HG22 VAL A 59 -18.244 -3.268 5.381 1.00 35.22 H new ATOM 0 HG23 VAL A 59 -18.394 -4.029 3.779 1.00 35.22 H new ATOM 960 N ALA A 60 -15.923 -0.621 1.765 1.00 74.02 N ATOM 961 CA ALA A 60 -14.949 0.289 1.188 1.00 4.41 C ATOM 962 C ALA A 60 -15.468 0.866 -0.113 1.00 43.03 C ATOM 963 O ALA A 60 -16.084 0.157 -0.900 1.00 44.41 O ATOM 964 CB ALA A 60 -13.632 -0.429 0.947 1.00 31.32 C ATOM 0 H ALA A 60 -16.208 -1.382 1.148 1.00 74.02 H new ATOM 0 HA ALA A 60 -14.783 1.104 1.892 1.00 4.41 H new ATOM 0 HB1 ALA A 60 -12.912 0.266 0.514 1.00 31.32 H new ATOM 0 HB2 ALA A 60 -13.246 -0.809 1.893 1.00 31.32 H new ATOM 0 HB3 ALA A 60 -13.791 -1.260 0.260 1.00 31.32 H new ATOM 970 N TYR A 61 -15.228 2.145 -0.337 1.00 52.43 N ATOM 971 CA TYR A 61 -15.594 2.772 -1.592 1.00 53.43 C ATOM 972 C TYR A 61 -14.603 3.879 -1.915 1.00 32.41 C ATOM 973 O TYR A 61 -14.211 4.641 -1.031 1.00 63.12 O ATOM 974 CB TYR A 61 -17.018 3.336 -1.535 1.00 72.34 C ATOM 975 CG TYR A 61 -17.538 3.784 -2.887 1.00 10.33 C ATOM 976 CD1 TYR A 61 -18.037 2.859 -3.795 1.00 62.41 C ATOM 977 CD2 TYR A 61 -17.521 5.125 -3.260 1.00 74.12 C ATOM 978 CE1 TYR A 61 -18.507 3.252 -5.032 1.00 22.30 C ATOM 979 CE2 TYR A 61 -17.991 5.524 -4.498 1.00 31.21 C ATOM 980 CZ TYR A 61 -18.481 4.583 -5.379 1.00 65.42 C ATOM 981 OH TYR A 61 -18.953 4.973 -6.608 1.00 13.14 O ATOM 0 H TYR A 61 -14.781 2.769 0.334 1.00 52.43 H new ATOM 0 HA TYR A 61 -15.566 2.017 -2.378 1.00 53.43 H new ATOM 0 HB2 TYR A 61 -17.687 2.577 -1.129 1.00 72.34 H new ATOM 0 HB3 TYR A 61 -17.040 4.181 -0.846 1.00 72.34 H new ATOM 0 HD1 TYR A 61 -18.058 1.813 -3.528 1.00 62.41 H new ATOM 0 HD2 TYR A 61 -17.135 5.864 -2.573 1.00 74.12 H new ATOM 0 HE1 TYR A 61 -18.893 2.518 -5.724 1.00 22.30 H new ATOM 0 HE2 TYR A 61 -17.974 6.568 -4.774 1.00 31.21 H new ATOM 0 HH TYR A 61 -19.697 5.600 -6.489 1.00 13.14 H new ATOM 991 N GLY A 62 -14.181 3.938 -3.166 1.00 64.11 N ATOM 992 CA GLY A 62 -13.265 4.968 -3.599 1.00 4.53 C ATOM 993 C GLY A 62 -13.444 5.292 -5.066 1.00 12.40 C ATOM 994 O GLY A 62 -13.062 4.508 -5.931 1.00 61.14 O ATOM 0 H GLY A 62 -14.460 3.283 -3.896 1.00 64.11 H new ATOM 0 HA2 GLY A 62 -13.422 5.868 -3.005 1.00 4.53 H new ATOM 0 HA3 GLY A 62 -12.240 4.643 -3.420 1.00 4.53 H new ATOM 998 N LYS A 63 -14.056 6.431 -5.344 1.00 51.41 N ATOM 999 CA LYS A 63 -14.235 6.888 -6.714 1.00 72.32 C ATOM 1000 C LYS A 63 -13.089 7.812 -7.106 1.00 0.02 C ATOM 1001 O LYS A 63 -12.874 8.842 -6.465 1.00 11.44 O ATOM 1002 CB LYS A 63 -15.565 7.630 -6.853 1.00 21.42 C ATOM 1003 CG LYS A 63 -15.848 8.122 -8.263 1.00 45.43 C ATOM 1004 CD LYS A 63 -16.854 7.234 -8.979 1.00 50.44 C ATOM 1005 CE LYS A 63 -18.240 7.372 -8.373 1.00 73.24 C ATOM 1006 NZ LYS A 63 -19.256 6.583 -9.118 1.00 3.14 N ATOM 0 H LYS A 63 -14.439 7.059 -4.637 1.00 51.41 H new ATOM 0 HA LYS A 63 -14.241 6.021 -7.375 1.00 72.32 H new ATOM 0 HB2 LYS A 63 -16.373 6.970 -6.539 1.00 21.42 H new ATOM 0 HB3 LYS A 63 -15.568 8.482 -6.173 1.00 21.42 H new ATOM 0 HG2 LYS A 63 -16.228 9.143 -8.222 1.00 45.43 H new ATOM 0 HG3 LYS A 63 -14.919 8.150 -8.832 1.00 45.43 H new ATOM 0 HD2 LYS A 63 -16.889 7.499 -10.036 1.00 50.44 H new ATOM 0 HD3 LYS A 63 -16.531 6.195 -8.921 1.00 50.44 H new ATOM 0 HE2 LYS A 63 -18.216 7.042 -7.334 1.00 73.24 H new ATOM 0 HE3 LYS A 63 -18.530 8.423 -8.367 1.00 73.24 H new ATOM 0 HZ1 LYS A 63 -20.088 7.178 -9.306 1.00 3.14 H new ATOM 0 HZ2 LYS A 63 -18.851 6.259 -10.020 1.00 3.14 H new ATOM 0 HZ3 LYS A 63 -19.541 5.759 -8.550 1.00 3.14 H new ATOM 1020 N SER A 64 -12.347 7.449 -8.142 1.00 72.44 N ATOM 1021 CA SER A 64 -11.229 8.269 -8.587 1.00 63.41 C ATOM 1022 C SER A 64 -10.980 8.128 -10.081 1.00 65.14 C ATOM 1023 O SER A 64 -11.326 7.121 -10.691 1.00 60.22 O ATOM 1024 CB SER A 64 -9.956 7.907 -7.824 1.00 72.23 C ATOM 1025 OG SER A 64 -10.113 8.133 -6.438 1.00 51.35 O ATOM 0 H SER A 64 -12.496 6.600 -8.686 1.00 72.44 H new ATOM 0 HA SER A 64 -11.495 9.306 -8.381 1.00 63.41 H new ATOM 0 HB2 SER A 64 -9.708 6.860 -7.999 1.00 72.23 H new ATOM 0 HB3 SER A 64 -9.122 8.499 -8.200 1.00 72.23 H new ATOM 0 HG SER A 64 -9.255 8.409 -6.052 1.00 51.35 H new ATOM 1031 N ARG A 65 -10.377 9.157 -10.657 1.00 65.45 N ATOM 1032 CA ARG A 65 -9.984 9.145 -12.060 1.00 15.24 C ATOM 1033 C ARG A 65 -8.858 8.141 -12.292 1.00 15.03 C ATOM 1034 O ARG A 65 -8.666 7.644 -13.402 1.00 32.34 O ATOM 1035 CB ARG A 65 -9.546 10.548 -12.481 1.00 54.21 C ATOM 1036 CG ARG A 65 -8.468 11.136 -11.583 1.00 55.31 C ATOM 1037 CD ARG A 65 -8.283 12.623 -11.817 1.00 4.12 C ATOM 1038 NE ARG A 65 -7.345 13.204 -10.860 1.00 4.23 N ATOM 1039 CZ ARG A 65 -7.628 14.250 -10.089 1.00 31.31 C ATOM 1040 NH1 ARG A 65 -8.834 14.809 -10.142 1.00 21.34 N ATOM 1041 NH2 ARG A 65 -6.710 14.724 -9.256 1.00 55.00 N ATOM 0 H ARG A 65 -10.146 10.022 -10.168 1.00 65.45 H new ATOM 0 HA ARG A 65 -10.838 8.842 -12.666 1.00 15.24 H new ATOM 0 HB2 ARG A 65 -9.177 10.514 -13.506 1.00 54.21 H new ATOM 0 HB3 ARG A 65 -10.413 11.209 -12.477 1.00 54.21 H new ATOM 0 HG2 ARG A 65 -8.731 10.963 -10.539 1.00 55.31 H new ATOM 0 HG3 ARG A 65 -7.525 10.620 -11.763 1.00 55.31 H new ATOM 0 HD2 ARG A 65 -7.920 12.790 -12.831 1.00 4.12 H new ATOM 0 HD3 ARG A 65 -9.246 13.127 -11.736 1.00 4.12 H new ATOM 0 HE ARG A 65 -6.419 12.783 -10.778 1.00 4.23 H new ATOM 0 HH11 ARG A 65 -9.542 14.435 -10.774 1.00 21.34 H new ATOM 0 HH12 ARG A 65 -9.051 15.611 -9.551 1.00 21.34 H new ATOM 0 HH21 ARG A 65 -5.790 14.286 -9.208 1.00 55.00 H new ATOM 0 HH22 ARG A 65 -6.924 15.526 -8.664 1.00 55.00 H new ATOM 1055 N LYS A 66 -8.125 7.846 -11.228 1.00 10.20 N ATOM 1056 CA LYS A 66 -7.029 6.893 -11.281 1.00 5.40 C ATOM 1057 C LYS A 66 -7.430 5.577 -10.620 1.00 44.43 C ATOM 1058 O LYS A 66 -7.893 5.563 -9.477 1.00 34.21 O ATOM 1059 CB LYS A 66 -5.792 7.476 -10.593 1.00 35.12 C ATOM 1060 CG LYS A 66 -5.066 8.528 -11.416 1.00 32.25 C ATOM 1061 CD LYS A 66 -4.295 7.891 -12.562 1.00 14.14 C ATOM 1062 CE LYS A 66 -3.523 8.919 -13.376 1.00 44.02 C ATOM 1063 NZ LYS A 66 -4.420 9.763 -14.207 1.00 63.44 N ATOM 0 H LYS A 66 -8.273 8.260 -10.307 1.00 10.20 H new ATOM 0 HA LYS A 66 -6.792 6.695 -12.326 1.00 5.40 H new ATOM 0 HB2 LYS A 66 -6.091 7.916 -9.642 1.00 35.12 H new ATOM 0 HB3 LYS A 66 -5.099 6.666 -10.365 1.00 35.12 H new ATOM 0 HG2 LYS A 66 -5.785 9.245 -11.812 1.00 32.25 H new ATOM 0 HG3 LYS A 66 -4.380 9.084 -10.777 1.00 32.25 H new ATOM 0 HD2 LYS A 66 -3.602 7.150 -12.164 1.00 14.14 H new ATOM 0 HD3 LYS A 66 -4.989 7.360 -13.214 1.00 14.14 H new ATOM 0 HE2 LYS A 66 -2.948 9.555 -12.703 1.00 44.02 H new ATOM 0 HE3 LYS A 66 -2.808 8.408 -14.020 1.00 44.02 H new ATOM 0 HZ1 LYS A 66 -3.852 10.449 -14.744 1.00 63.44 H new ATOM 0 HZ2 LYS A 66 -4.951 9.160 -14.867 1.00 63.44 H new ATOM 0 HZ3 LYS A 66 -5.086 10.272 -13.592 1.00 63.44 H new ATOM 1077 N VAL A 67 -7.257 4.482 -11.354 1.00 63.13 N ATOM 1078 CA VAL A 67 -7.575 3.145 -10.862 1.00 53.42 C ATOM 1079 C VAL A 67 -6.812 2.839 -9.568 1.00 34.54 C ATOM 1080 O VAL A 67 -7.352 2.234 -8.642 1.00 55.42 O ATOM 1081 CB VAL A 67 -7.265 2.075 -11.947 1.00 62.21 C ATOM 1082 CG1 VAL A 67 -5.812 2.116 -12.375 1.00 70.23 C ATOM 1083 CG2 VAL A 67 -7.632 0.679 -11.480 1.00 21.42 C ATOM 0 H VAL A 67 -6.892 4.496 -12.307 1.00 63.13 H new ATOM 0 HA VAL A 67 -8.642 3.112 -10.640 1.00 53.42 H new ATOM 0 HB VAL A 67 -7.883 2.320 -12.811 1.00 62.21 H new ATOM 0 HG11 VAL A 67 -5.635 1.354 -13.134 1.00 70.23 H new ATOM 0 HG12 VAL A 67 -5.582 3.099 -12.787 1.00 70.23 H new ATOM 0 HG13 VAL A 67 -5.173 1.925 -11.513 1.00 70.23 H new ATOM 0 HG21 VAL A 67 -7.401 -0.040 -12.266 1.00 21.42 H new ATOM 0 HG22 VAL A 67 -7.062 0.433 -10.584 1.00 21.42 H new ATOM 0 HG23 VAL A 67 -8.698 0.639 -11.254 1.00 21.42 H new ATOM 1093 N ALA A 68 -5.561 3.280 -9.503 1.00 15.00 N ATOM 1094 CA ALA A 68 -4.733 3.086 -8.323 1.00 13.32 C ATOM 1095 C ALA A 68 -5.207 3.943 -7.151 1.00 43.53 C ATOM 1096 O ALA A 68 -5.254 3.471 -6.016 1.00 52.23 O ATOM 1097 CB ALA A 68 -3.280 3.394 -8.643 1.00 31.10 C ATOM 0 H ALA A 68 -5.096 3.778 -10.262 1.00 15.00 H new ATOM 0 HA ALA A 68 -4.822 2.041 -8.027 1.00 13.32 H new ATOM 0 HB1 ALA A 68 -2.671 3.245 -7.751 1.00 31.10 H new ATOM 0 HB2 ALA A 68 -2.933 2.730 -9.434 1.00 31.10 H new ATOM 0 HB3 ALA A 68 -3.192 4.429 -8.973 1.00 31.10 H new ATOM 1103 N ASN A 69 -5.560 5.195 -7.429 1.00 50.40 N ATOM 1104 CA ASN A 69 -6.002 6.123 -6.383 1.00 64.02 C ATOM 1105 C ASN A 69 -7.306 5.642 -5.766 1.00 41.41 C ATOM 1106 O ASN A 69 -7.459 5.620 -4.546 1.00 70.13 O ATOM 1107 CB ASN A 69 -6.195 7.531 -6.952 1.00 45.52 C ATOM 1108 CG ASN A 69 -6.370 8.583 -5.870 1.00 62.12 C ATOM 1109 OD1 ASN A 69 -7.607 8.862 -5.485 1.00 24.31 O flip ATOM 1110 ND2 ASN A 69 -5.392 9.155 -5.389 1.00 2.42 N flip ATOM 0 H ASN A 69 -5.550 5.594 -8.368 1.00 50.40 H new ATOM 0 HA ASN A 69 -5.230 6.156 -5.614 1.00 64.02 H new ATOM 0 HB2 ASN A 69 -5.334 7.790 -7.569 1.00 45.52 H new ATOM 0 HB3 ASN A 69 -7.068 7.538 -7.604 1.00 45.52 H new ATOM 0 HD21 ASN A 69 -4.453 8.916 -5.708 1.00 2.42 H new ATOM 0 HD22 ASN A 69 -5.520 9.868 -4.671 1.00 2.42 H new ATOM 1117 N ALA A 70 -8.233 5.249 -6.628 1.00 33.24 N ATOM 1118 CA ALA A 70 -9.516 4.710 -6.198 1.00 43.21 C ATOM 1119 C ALA A 70 -9.308 3.474 -5.335 1.00 1.14 C ATOM 1120 O ALA A 70 -9.939 3.293 -4.290 1.00 2.13 O ATOM 1121 CB ALA A 70 -10.342 4.353 -7.420 1.00 2.20 C ATOM 0 H ALA A 70 -8.118 5.294 -7.641 1.00 33.24 H new ATOM 0 HA ALA A 70 -10.040 5.461 -5.607 1.00 43.21 H new ATOM 0 HB1 ALA A 70 -11.304 3.949 -7.104 1.00 2.20 H new ATOM 0 HB2 ALA A 70 -10.504 5.246 -8.023 1.00 2.20 H new ATOM 0 HB3 ALA A 70 -9.812 3.607 -8.012 1.00 2.20 H new ATOM 1127 N LYS A 71 -8.395 2.640 -5.800 1.00 53.13 N ATOM 1128 CA LYS A 71 -8.015 1.411 -5.132 1.00 64.54 C ATOM 1129 C LYS A 71 -7.413 1.719 -3.765 1.00 13.35 C ATOM 1130 O LYS A 71 -7.680 1.033 -2.781 1.00 51.30 O ATOM 1131 CB LYS A 71 -6.995 0.718 -6.028 1.00 0.11 C ATOM 1132 CG LYS A 71 -6.836 -0.770 -5.826 1.00 2.40 C ATOM 1133 CD LYS A 71 -6.261 -1.397 -7.089 1.00 51.24 C ATOM 1134 CE LYS A 71 -4.980 -0.709 -7.533 1.00 73.53 C ATOM 1135 NZ LYS A 71 -3.877 -0.891 -6.550 1.00 12.41 N ATOM 0 H LYS A 71 -7.888 2.803 -6.670 1.00 53.13 H new ATOM 0 HA LYS A 71 -8.880 0.769 -4.968 1.00 64.54 H new ATOM 0 HB2 LYS A 71 -7.274 0.895 -7.067 1.00 0.11 H new ATOM 0 HB3 LYS A 71 -6.025 1.191 -5.873 1.00 0.11 H new ATOM 0 HG2 LYS A 71 -6.178 -0.964 -4.979 1.00 2.40 H new ATOM 0 HG3 LYS A 71 -7.800 -1.221 -5.590 1.00 2.40 H new ATOM 0 HD2 LYS A 71 -6.062 -2.454 -6.911 1.00 51.24 H new ATOM 0 HD3 LYS A 71 -6.999 -1.342 -7.890 1.00 51.24 H new ATOM 0 HE2 LYS A 71 -4.672 -1.106 -8.500 1.00 73.53 H new ATOM 0 HE3 LYS A 71 -5.170 0.355 -7.671 1.00 73.53 H new ATOM 0 HZ1 LYS A 71 -3.023 -0.406 -6.893 1.00 12.41 H new ATOM 0 HZ2 LYS A 71 -4.159 -0.489 -5.633 1.00 12.41 H new ATOM 0 HZ3 LYS A 71 -3.677 -1.905 -6.437 1.00 12.41 H new ATOM 1149 N TYR A 72 -6.603 2.769 -3.733 1.00 25.22 N ATOM 1150 CA TYR A 72 -5.956 3.236 -2.514 1.00 25.44 C ATOM 1151 C TYR A 72 -6.992 3.605 -1.457 1.00 62.31 C ATOM 1152 O TYR A 72 -6.901 3.174 -0.309 1.00 43.42 O ATOM 1153 CB TYR A 72 -5.066 4.438 -2.852 1.00 65.32 C ATOM 1154 CG TYR A 72 -4.564 5.219 -1.661 1.00 21.34 C ATOM 1155 CD1 TYR A 72 -3.461 4.794 -0.934 1.00 34.12 C ATOM 1156 CD2 TYR A 72 -5.194 6.396 -1.276 1.00 43.33 C ATOM 1157 CE1 TYR A 72 -3.000 5.520 0.148 1.00 14.12 C ATOM 1158 CE2 TYR A 72 -4.738 7.130 -0.201 1.00 5.31 C ATOM 1159 CZ TYR A 72 -3.641 6.689 0.509 1.00 1.35 C ATOM 1160 OH TYR A 72 -3.181 7.420 1.580 1.00 14.11 O ATOM 0 H TYR A 72 -6.375 3.324 -4.558 1.00 25.22 H new ATOM 0 HA TYR A 72 -5.341 2.437 -2.101 1.00 25.44 H new ATOM 0 HB2 TYR A 72 -4.207 4.085 -3.423 1.00 65.32 H new ATOM 0 HB3 TYR A 72 -5.625 5.113 -3.500 1.00 65.32 H new ATOM 0 HD1 TYR A 72 -2.955 3.883 -1.218 1.00 34.12 H new ATOM 0 HD2 TYR A 72 -6.055 6.742 -1.828 1.00 43.33 H new ATOM 0 HE1 TYR A 72 -2.143 5.175 0.708 1.00 14.12 H new ATOM 0 HE2 TYR A 72 -5.237 8.045 0.083 1.00 5.31 H new ATOM 0 HH TYR A 72 -3.743 8.214 1.699 1.00 14.11 H new ATOM 1170 N ILE A 73 -7.981 4.390 -1.865 1.00 72.01 N ATOM 1171 CA ILE A 73 -9.055 4.816 -0.975 1.00 12.44 C ATOM 1172 C ILE A 73 -9.817 3.614 -0.428 1.00 11.43 C ATOM 1173 O ILE A 73 -10.024 3.497 0.780 1.00 2.54 O ATOM 1174 CB ILE A 73 -10.025 5.751 -1.714 1.00 24.04 C ATOM 1175 CG1 ILE A 73 -9.253 6.943 -2.272 1.00 51.54 C ATOM 1176 CG2 ILE A 73 -11.142 6.214 -0.787 1.00 21.24 C ATOM 1177 CD1 ILE A 73 -9.977 7.664 -3.378 1.00 42.43 C ATOM 0 H ILE A 73 -8.062 4.748 -2.817 1.00 72.01 H new ATOM 0 HA ILE A 73 -8.605 5.354 -0.140 1.00 12.44 H new ATOM 0 HB ILE A 73 -10.486 5.208 -2.539 1.00 24.04 H new ATOM 0 HG12 ILE A 73 -9.050 7.645 -1.463 1.00 51.54 H new ATOM 0 HG13 ILE A 73 -8.288 6.599 -2.644 1.00 51.54 H new ATOM 0 HG21 ILE A 73 -11.816 6.875 -1.332 1.00 21.24 H new ATOM 0 HG22 ILE A 73 -11.696 5.348 -0.425 1.00 21.24 H new ATOM 0 HG23 ILE A 73 -10.713 6.751 0.059 1.00 21.24 H new ATOM 0 HD11 ILE A 73 -9.370 8.499 -3.726 1.00 42.43 H new ATOM 0 HD12 ILE A 73 -10.156 6.976 -4.204 1.00 42.43 H new ATOM 0 HD13 ILE A 73 -10.930 8.039 -3.005 1.00 42.43 H new ATOM 1189 N MET A 74 -10.216 2.724 -1.330 1.00 51.53 N ATOM 1190 CA MET A 74 -10.870 1.472 -0.958 1.00 32.52 C ATOM 1191 C MET A 74 -10.058 0.733 0.106 1.00 62.24 C ATOM 1192 O MET A 74 -10.581 0.350 1.161 1.00 42.44 O ATOM 1193 CB MET A 74 -11.031 0.584 -2.196 1.00 1.11 C ATOM 1194 CG MET A 74 -11.556 -0.809 -1.890 1.00 74.43 C ATOM 1195 SD MET A 74 -11.505 -1.901 -3.315 1.00 45.33 S ATOM 1196 CE MET A 74 -9.747 -2.224 -3.374 1.00 53.34 C ATOM 0 H MET A 74 -10.097 2.848 -2.335 1.00 51.53 H new ATOM 0 HA MET A 74 -11.852 1.703 -0.546 1.00 32.52 H new ATOM 0 HB2 MET A 74 -11.710 1.072 -2.895 1.00 1.11 H new ATOM 0 HB3 MET A 74 -10.067 0.496 -2.696 1.00 1.11 H new ATOM 0 HG2 MET A 74 -10.967 -1.245 -1.083 1.00 74.43 H new ATOM 0 HG3 MET A 74 -12.583 -0.735 -1.532 1.00 74.43 H new ATOM 0 HE1 MET A 74 -9.558 -3.092 -4.005 1.00 53.34 H new ATOM 0 HE2 MET A 74 -9.231 -1.357 -3.786 1.00 53.34 H new ATOM 0 HE3 MET A 74 -9.379 -2.420 -2.367 1.00 53.34 H new ATOM 1206 N LYS A 75 -8.774 0.555 -0.174 1.00 51.44 N ATOM 1207 CA LYS A 75 -7.877 -0.142 0.732 1.00 40.53 C ATOM 1208 C LYS A 75 -7.824 0.534 2.097 1.00 34.12 C ATOM 1209 O LYS A 75 -7.991 -0.122 3.122 1.00 22.23 O ATOM 1210 CB LYS A 75 -6.481 -0.222 0.119 1.00 43.12 C ATOM 1211 CG LYS A 75 -6.398 -1.213 -1.027 1.00 22.13 C ATOM 1212 CD LYS A 75 -5.210 -0.943 -1.926 1.00 12.42 C ATOM 1213 CE LYS A 75 -5.057 -2.037 -2.967 1.00 23.45 C ATOM 1214 NZ LYS A 75 -4.533 -3.304 -2.387 1.00 52.32 N ATOM 0 H LYS A 75 -8.329 0.888 -1.030 1.00 51.44 H new ATOM 0 HA LYS A 75 -8.261 -1.151 0.882 1.00 40.53 H new ATOM 0 HB2 LYS A 75 -6.189 0.765 -0.239 1.00 43.12 H new ATOM 0 HB3 LYS A 75 -5.766 -0.506 0.891 1.00 43.12 H new ATOM 0 HG2 LYS A 75 -6.327 -2.225 -0.627 1.00 22.13 H new ATOM 0 HG3 LYS A 75 -7.315 -1.166 -1.614 1.00 22.13 H new ATOM 0 HD2 LYS A 75 -5.335 0.020 -2.421 1.00 12.42 H new ATOM 0 HD3 LYS A 75 -4.302 -0.877 -1.326 1.00 12.42 H new ATOM 0 HE2 LYS A 75 -6.023 -2.227 -3.435 1.00 23.45 H new ATOM 0 HE3 LYS A 75 -4.384 -1.695 -3.753 1.00 23.45 H new ATOM 0 HZ1 LYS A 75 -3.955 -3.798 -3.097 1.00 52.32 H new ATOM 0 HZ2 LYS A 75 -3.949 -3.089 -1.554 1.00 52.32 H new ATOM 0 HZ3 LYS A 75 -5.328 -3.912 -2.105 1.00 52.32 H new ATOM 1228 N GLN A 76 -7.625 1.849 2.101 1.00 0.43 N ATOM 1229 CA GLN A 76 -7.532 2.617 3.344 1.00 42.22 C ATOM 1230 C GLN A 76 -8.802 2.486 4.185 1.00 70.01 C ATOM 1231 O GLN A 76 -8.756 2.609 5.411 1.00 3.22 O ATOM 1232 CB GLN A 76 -7.255 4.092 3.039 1.00 63.31 C ATOM 1233 CG GLN A 76 -5.856 4.347 2.498 1.00 2.30 C ATOM 1234 CD GLN A 76 -4.769 3.985 3.493 1.00 2.34 C ATOM 1235 OE1 GLN A 76 -4.961 4.084 4.705 1.00 45.10 O ATOM 1236 NE2 GLN A 76 -3.623 3.558 2.991 1.00 75.13 N ATOM 0 H GLN A 76 -7.524 2.409 1.255 1.00 0.43 H new ATOM 0 HA GLN A 76 -6.704 2.207 3.922 1.00 42.22 H new ATOM 0 HB2 GLN A 76 -7.987 4.449 2.314 1.00 63.31 H new ATOM 0 HB3 GLN A 76 -7.396 4.676 3.949 1.00 63.31 H new ATOM 0 HG2 GLN A 76 -5.713 3.770 1.584 1.00 2.30 H new ATOM 0 HG3 GLN A 76 -5.761 5.399 2.229 1.00 2.30 H new ATOM 0 HE21 GLN A 76 -3.503 3.490 1.980 1.00 75.13 H new ATOM 0 HE22 GLN A 76 -2.859 3.297 3.614 1.00 75.13 H new ATOM 1245 N ARG A 77 -9.928 2.241 3.522 1.00 14.34 N ATOM 1246 CA ARG A 77 -11.198 2.029 4.208 1.00 13.32 C ATOM 1247 C ARG A 77 -11.112 0.849 5.170 1.00 74.23 C ATOM 1248 O ARG A 77 -11.190 1.023 6.389 1.00 12.45 O ATOM 1249 CB ARG A 77 -12.316 1.782 3.198 1.00 71.34 C ATOM 1250 CG ARG A 77 -12.705 3.006 2.389 1.00 52.14 C ATOM 1251 CD ARG A 77 -13.523 3.974 3.219 1.00 23.42 C ATOM 1252 NE ARG A 77 -14.750 3.354 3.714 1.00 0.42 N ATOM 1253 CZ ARG A 77 -15.596 3.945 4.551 1.00 24.15 C ATOM 1254 NH1 ARG A 77 -15.335 5.163 5.008 1.00 53.24 N ATOM 1255 NH2 ARG A 77 -16.699 3.313 4.928 1.00 51.15 N ATOM 0 H ARG A 77 -9.986 2.184 2.505 1.00 14.34 H new ATOM 0 HA ARG A 77 -11.420 2.930 4.779 1.00 13.32 H new ATOM 0 HB2 ARG A 77 -12.005 0.992 2.514 1.00 71.34 H new ATOM 0 HB3 ARG A 77 -13.195 1.416 3.728 1.00 71.34 H new ATOM 0 HG2 ARG A 77 -11.807 3.504 2.024 1.00 52.14 H new ATOM 0 HG3 ARG A 77 -13.277 2.700 1.514 1.00 52.14 H new ATOM 0 HD2 ARG A 77 -12.927 4.326 4.061 1.00 23.42 H new ATOM 0 HD3 ARG A 77 -13.773 4.848 2.618 1.00 23.42 H new ATOM 0 HE ARG A 77 -14.971 2.410 3.398 1.00 0.42 H new ATOM 0 HH11 ARG A 77 -14.485 5.646 4.717 1.00 53.24 H new ATOM 0 HH12 ARG A 77 -15.984 5.617 5.650 1.00 53.24 H new ATOM 0 HH21 ARG A 77 -16.896 2.376 4.576 1.00 51.15 H new ATOM 0 HH22 ARG A 77 -17.351 3.764 5.570 1.00 51.15 H new ATOM 1269 N LEU A 78 -10.939 -0.357 4.626 1.00 43.32 N ATOM 1270 CA LEU A 78 -10.862 -1.548 5.480 1.00 33.55 C ATOM 1271 C LEU A 78 -9.596 -1.506 6.326 1.00 1.42 C ATOM 1272 O LEU A 78 -9.579 -2.005 7.449 1.00 54.31 O ATOM 1273 CB LEU A 78 -10.866 -2.862 4.687 1.00 25.15 C ATOM 1274 CG LEU A 78 -11.636 -2.876 3.369 1.00 74.25 C ATOM 1275 CD1 LEU A 78 -10.724 -2.509 2.206 1.00 14.14 C ATOM 1276 CD2 LEU A 78 -12.240 -4.247 3.142 1.00 44.54 C ATOM 0 H LEU A 78 -10.851 -0.536 3.626 1.00 43.32 H new ATOM 0 HA LEU A 78 -11.755 -1.528 6.105 1.00 33.55 H new ATOM 0 HB2 LEU A 78 -9.831 -3.134 4.477 1.00 25.15 H new ATOM 0 HB3 LEU A 78 -11.277 -3.642 5.327 1.00 25.15 H new ATOM 0 HG LEU A 78 -12.434 -2.135 3.426 1.00 74.25 H new ATOM 0 HD11 LEU A 78 -11.294 -2.525 1.277 1.00 14.14 H new ATOM 0 HD12 LEU A 78 -10.317 -1.510 2.364 1.00 14.14 H new ATOM 0 HD13 LEU A 78 -9.907 -3.228 2.143 1.00 14.14 H new ATOM 0 HD21 LEU A 78 -12.788 -4.252 2.200 1.00 44.54 H new ATOM 0 HD22 LEU A 78 -11.446 -4.993 3.103 1.00 44.54 H new ATOM 0 HD23 LEU A 78 -12.921 -4.485 3.959 1.00 44.54 H new ATOM 1288 N LEU A 79 -8.544 -0.906 5.769 1.00 52.23 N ATOM 1289 CA LEU A 79 -7.251 -0.795 6.444 1.00 62.32 C ATOM 1290 C LEU A 79 -7.426 -0.217 7.846 1.00 11.10 C ATOM 1291 O LEU A 79 -6.913 -0.764 8.819 1.00 15.42 O ATOM 1292 CB LEU A 79 -6.297 0.070 5.594 1.00 32.14 C ATOM 1293 CG LEU A 79 -4.844 0.205 6.082 1.00 45.51 C ATOM 1294 CD1 LEU A 79 -4.716 1.302 7.127 1.00 20.24 C ATOM 1295 CD2 LEU A 79 -4.331 -1.121 6.625 1.00 22.30 C ATOM 0 H LEU A 79 -8.564 -0.485 4.840 1.00 52.23 H new ATOM 0 HA LEU A 79 -6.814 -1.788 6.552 1.00 62.32 H new ATOM 0 HB2 LEU A 79 -6.277 -0.342 4.585 1.00 32.14 H new ATOM 0 HB3 LEU A 79 -6.723 1.071 5.522 1.00 32.14 H new ATOM 0 HG LEU A 79 -4.229 0.484 5.227 1.00 45.51 H new ATOM 0 HD11 LEU A 79 -3.679 1.374 7.453 1.00 20.24 H new ATOM 0 HD12 LEU A 79 -5.028 2.253 6.696 1.00 20.24 H new ATOM 0 HD13 LEU A 79 -5.350 1.066 7.982 1.00 20.24 H new ATOM 0 HD21 LEU A 79 -3.302 -1.002 6.964 1.00 22.30 H new ATOM 0 HD22 LEU A 79 -4.954 -1.437 7.461 1.00 22.30 H new ATOM 0 HD23 LEU A 79 -4.369 -1.875 5.839 1.00 22.30 H new ATOM 1307 N LYS A 80 -8.176 0.870 7.952 1.00 30.21 N ATOM 1308 CA LYS A 80 -8.419 1.486 9.248 1.00 32.54 C ATOM 1309 C LYS A 80 -9.328 0.616 10.100 1.00 13.14 C ATOM 1310 O LYS A 80 -9.189 0.580 11.318 1.00 40.33 O ATOM 1311 CB LYS A 80 -9.025 2.884 9.106 1.00 23.41 C ATOM 1312 CG LYS A 80 -8.018 4.009 9.304 1.00 24.22 C ATOM 1313 CD LYS A 80 -7.344 3.948 10.675 1.00 3.25 C ATOM 1314 CE LYS A 80 -8.352 3.995 11.816 1.00 2.23 C ATOM 1315 NZ LYS A 80 -7.688 4.149 13.142 1.00 71.14 N ATOM 0 H LYS A 80 -8.623 1.340 7.165 1.00 30.21 H new ATOM 0 HA LYS A 80 -7.452 1.582 9.742 1.00 32.54 H new ATOM 0 HB2 LYS A 80 -9.472 2.978 8.116 1.00 23.41 H new ATOM 0 HB3 LYS A 80 -9.830 2.997 9.832 1.00 23.41 H new ATOM 0 HG2 LYS A 80 -7.258 3.955 8.525 1.00 24.22 H new ATOM 0 HG3 LYS A 80 -8.522 4.969 9.191 1.00 24.22 H new ATOM 0 HD2 LYS A 80 -6.757 3.032 10.749 1.00 3.25 H new ATOM 0 HD3 LYS A 80 -6.648 4.781 10.773 1.00 3.25 H new ATOM 0 HE2 LYS A 80 -9.041 4.825 11.657 1.00 2.23 H new ATOM 0 HE3 LYS A 80 -8.947 3.082 11.812 1.00 2.23 H new ATOM 0 HZ1 LYS A 80 -8.383 3.991 13.899 1.00 71.14 H new ATOM 0 HZ2 LYS A 80 -6.919 3.455 13.228 1.00 71.14 H new ATOM 0 HZ3 LYS A 80 -7.298 5.110 13.226 1.00 71.14 H new ATOM 1329 N LEU A 81 -10.242 -0.097 9.459 1.00 50.13 N ATOM 1330 CA LEU A 81 -11.185 -0.941 10.169 1.00 11.14 C ATOM 1331 C LEU A 81 -10.481 -2.084 10.889 1.00 64.41 C ATOM 1332 O LEU A 81 -10.782 -2.365 12.045 1.00 44.04 O ATOM 1333 CB LEU A 81 -12.244 -1.468 9.202 1.00 33.21 C ATOM 1334 CG LEU A 81 -13.560 -0.690 9.221 1.00 1.31 C ATOM 1335 CD1 LEU A 81 -13.330 0.805 9.170 1.00 22.25 C ATOM 1336 CD2 LEU A 81 -14.451 -1.110 8.073 1.00 64.42 C ATOM 0 H LEU A 81 -10.349 -0.106 8.445 1.00 50.13 H new ATOM 0 HA LEU A 81 -11.677 -0.338 10.932 1.00 11.14 H new ATOM 0 HB2 LEU A 81 -11.838 -1.446 8.191 1.00 33.21 H new ATOM 0 HB3 LEU A 81 -12.449 -2.511 9.441 1.00 33.21 H new ATOM 0 HG LEU A 81 -14.056 -0.925 10.163 1.00 1.31 H new ATOM 0 HD11 LEU A 81 -14.290 1.322 9.185 1.00 22.25 H new ATOM 0 HD12 LEU A 81 -12.739 1.112 10.033 1.00 22.25 H new ATOM 0 HD13 LEU A 81 -12.795 1.060 8.255 1.00 22.25 H new ATOM 0 HD21 LEU A 81 -15.381 -0.543 8.108 1.00 64.42 H new ATOM 0 HD22 LEU A 81 -13.943 -0.916 7.128 1.00 64.42 H new ATOM 0 HD23 LEU A 81 -14.672 -2.174 8.154 1.00 64.42 H new ATOM 1348 N LEU A 82 -9.529 -2.723 10.223 1.00 53.23 N ATOM 1349 CA LEU A 82 -8.806 -3.840 10.825 1.00 41.34 C ATOM 1350 C LEU A 82 -7.729 -3.354 11.798 1.00 2.20 C ATOM 1351 O LEU A 82 -7.267 -4.107 12.654 1.00 11.40 O ATOM 1352 CB LEU A 82 -8.206 -4.738 9.739 1.00 21.23 C ATOM 1353 CG LEU A 82 -7.423 -4.023 8.638 1.00 53.31 C ATOM 1354 CD1 LEU A 82 -5.923 -4.117 8.869 1.00 35.42 C ATOM 1355 CD2 LEU A 82 -7.788 -4.594 7.284 1.00 23.31 C ATOM 0 H LEU A 82 -9.239 -2.491 9.273 1.00 53.23 H new ATOM 0 HA LEU A 82 -9.519 -4.429 11.402 1.00 41.34 H new ATOM 0 HB2 LEU A 82 -7.545 -5.461 10.217 1.00 21.23 H new ATOM 0 HB3 LEU A 82 -9.014 -5.303 9.275 1.00 21.23 H new ATOM 0 HG LEU A 82 -7.694 -2.968 8.664 1.00 53.31 H new ATOM 0 HD11 LEU A 82 -5.398 -3.598 8.067 1.00 35.42 H new ATOM 0 HD12 LEU A 82 -5.672 -3.656 9.825 1.00 35.42 H new ATOM 0 HD13 LEU A 82 -5.622 -5.164 8.881 1.00 35.42 H new ATOM 0 HD21 LEU A 82 -7.224 -4.077 6.507 1.00 23.31 H new ATOM 0 HD22 LEU A 82 -7.548 -5.657 7.261 1.00 23.31 H new ATOM 0 HD23 LEU A 82 -8.855 -4.459 7.108 1.00 23.31 H new ATOM 1367 N GLU A 83 -7.336 -2.096 11.671 1.00 75.11 N ATOM 1368 CA GLU A 83 -6.370 -1.505 12.590 1.00 71.33 C ATOM 1369 C GLU A 83 -7.059 -0.977 13.843 1.00 31.02 C ATOM 1370 O GLU A 83 -6.563 -1.142 14.957 1.00 23.20 O ATOM 1371 CB GLU A 83 -5.608 -0.369 11.913 1.00 23.33 C ATOM 1372 CG GLU A 83 -4.603 -0.840 10.881 1.00 25.14 C ATOM 1373 CD GLU A 83 -3.533 -1.730 11.482 1.00 34.31 C ATOM 1374 OE1 GLU A 83 -2.652 -1.208 12.194 1.00 61.40 O ATOM 1375 OE2 GLU A 83 -3.561 -2.955 11.244 1.00 70.20 O ATOM 0 H GLU A 83 -7.669 -1.464 10.943 1.00 75.11 H new ATOM 0 HA GLU A 83 -5.668 -2.288 12.877 1.00 71.33 H new ATOM 0 HB2 GLU A 83 -6.322 0.300 11.433 1.00 23.33 H new ATOM 0 HB3 GLU A 83 -5.088 0.213 12.674 1.00 23.33 H new ATOM 0 HG2 GLU A 83 -5.123 -1.384 10.092 1.00 25.14 H new ATOM 0 HG3 GLU A 83 -4.132 0.025 10.414 1.00 25.14 H new ATOM 1382 N ASP A 84 -8.206 -0.349 13.645 1.00 64.02 N ATOM 1383 CA ASP A 84 -8.949 0.268 14.737 1.00 24.03 C ATOM 1384 C ASP A 84 -9.872 -0.755 15.387 1.00 75.21 C ATOM 1385 O ASP A 84 -10.428 -0.515 16.458 1.00 30.43 O ATOM 1386 CB ASP A 84 -9.762 1.449 14.201 1.00 22.21 C ATOM 1387 CG ASP A 84 -9.971 2.540 15.229 1.00 73.13 C ATOM 1388 OD1 ASP A 84 -9.037 3.343 15.438 1.00 44.24 O ATOM 1389 OD2 ASP A 84 -11.073 2.623 15.807 1.00 1.14 O ATOM 0 H ASP A 84 -8.648 -0.251 12.731 1.00 64.02 H new ATOM 0 HA ASP A 84 -8.248 0.629 15.489 1.00 24.03 H new ATOM 0 HB2 ASP A 84 -9.254 1.868 13.333 1.00 22.21 H new ATOM 0 HB3 ASP A 84 -10.732 1.089 13.859 1.00 22.21 H new ATOM 1394 N LYS A 85 -10.023 -1.900 14.719 1.00 23.21 N ATOM 1395 CA LYS A 85 -10.838 -3.010 15.209 1.00 2.40 C ATOM 1396 C LYS A 85 -12.310 -2.623 15.305 1.00 33.43 C ATOM 1397 O LYS A 85 -13.025 -3.035 16.221 1.00 74.24 O ATOM 1398 CB LYS A 85 -10.300 -3.511 16.548 1.00 55.13 C ATOM 1399 CG LYS A 85 -8.895 -4.078 16.433 1.00 74.32 C ATOM 1400 CD LYS A 85 -8.865 -5.273 15.492 1.00 73.45 C ATOM 1401 CE LYS A 85 -7.457 -5.830 15.317 1.00 71.42 C ATOM 1402 NZ LYS A 85 -6.809 -6.159 16.612 1.00 52.45 N ATOM 0 H LYS A 85 -9.581 -2.083 13.818 1.00 23.21 H new ATOM 0 HA LYS A 85 -10.772 -3.826 14.489 1.00 2.40 H new ATOM 0 HB2 LYS A 85 -10.300 -2.691 17.266 1.00 55.13 H new ATOM 0 HB3 LYS A 85 -10.967 -4.278 16.940 1.00 55.13 H new ATOM 0 HG2 LYS A 85 -8.216 -3.307 16.069 1.00 74.32 H new ATOM 0 HG3 LYS A 85 -8.538 -4.377 17.418 1.00 74.32 H new ATOM 0 HD2 LYS A 85 -9.518 -6.055 15.879 1.00 73.45 H new ATOM 0 HD3 LYS A 85 -9.261 -4.979 14.520 1.00 73.45 H new ATOM 0 HE2 LYS A 85 -7.499 -6.726 14.698 1.00 71.42 H new ATOM 0 HE3 LYS A 85 -6.846 -5.102 14.783 1.00 71.42 H new ATOM 0 HZ1 LYS A 85 -5.922 -6.672 16.436 1.00 52.45 H new ATOM 0 HZ2 LYS A 85 -6.604 -5.281 17.131 1.00 52.45 H new ATOM 0 HZ3 LYS A 85 -7.447 -6.755 17.178 1.00 52.45 H new ATOM 1416 N SER A 86 -12.761 -1.861 14.320 1.00 4.52 N ATOM 1417 CA SER A 86 -14.154 -1.470 14.231 1.00 21.12 C ATOM 1418 C SER A 86 -14.978 -2.614 13.647 1.00 75.02 C ATOM 1419 O SER A 86 -14.594 -3.212 12.640 1.00 14.10 O ATOM 1420 CB SER A 86 -14.281 -0.220 13.364 1.00 45.10 C ATOM 1421 OG SER A 86 -13.491 0.838 13.882 1.00 72.44 O ATOM 0 H SER A 86 -12.175 -1.500 13.567 1.00 4.52 H new ATOM 0 HA SER A 86 -14.533 -1.245 15.228 1.00 21.12 H new ATOM 0 HB2 SER A 86 -13.969 -0.447 12.344 1.00 45.10 H new ATOM 0 HB3 SER A 86 -15.325 0.090 13.317 1.00 45.10 H new ATOM 0 HG SER A 86 -13.586 1.628 13.310 1.00 72.44 H new ATOM 1427 N ASN A 87 -16.123 -2.900 14.256 1.00 11.40 N ATOM 1428 CA ASN A 87 -16.914 -4.077 13.886 1.00 12.55 C ATOM 1429 C ASN A 87 -17.633 -3.892 12.557 1.00 50.42 C ATOM 1430 O ASN A 87 -18.410 -4.747 12.142 1.00 4.42 O ATOM 1431 CB ASN A 87 -17.939 -4.411 14.969 1.00 71.43 C ATOM 1432 CG ASN A 87 -19.016 -3.354 15.131 1.00 72.21 C ATOM 1433 OD1 ASN A 87 -18.849 -2.393 15.880 1.00 33.44 O ATOM 1434 ND2 ASN A 87 -20.140 -3.538 14.452 1.00 64.40 N ATOM 0 H ASN A 87 -16.527 -2.338 15.006 1.00 11.40 H new ATOM 0 HA ASN A 87 -16.209 -4.902 13.783 1.00 12.55 H new ATOM 0 HB2 ASN A 87 -18.410 -5.365 14.730 1.00 71.43 H new ATOM 0 HB3 ASN A 87 -17.422 -4.540 15.920 1.00 71.43 H new ATOM 0 HD21 ASN A 87 -20.905 -2.869 14.541 1.00 64.40 H new ATOM 0 HD22 ASN A 87 -20.240 -4.348 13.841 1.00 64.40 H new ATOM 1441 N LEU A 88 -17.373 -2.786 11.889 1.00 50.10 N ATOM 1442 CA LEU A 88 -18.011 -2.512 10.613 1.00 60.15 C ATOM 1443 C LEU A 88 -17.567 -3.513 9.553 1.00 71.12 C ATOM 1444 O LEU A 88 -18.393 -4.027 8.802 1.00 23.24 O ATOM 1445 CB LEU A 88 -17.753 -1.072 10.158 1.00 75.42 C ATOM 1446 CG LEU A 88 -18.440 0.005 11.012 1.00 52.13 C ATOM 1447 CD1 LEU A 88 -19.856 -0.425 11.374 1.00 13.23 C ATOM 1448 CD2 LEU A 88 -17.636 0.302 12.269 1.00 15.12 C ATOM 0 H LEU A 88 -16.727 -2.063 12.206 1.00 50.10 H new ATOM 0 HA LEU A 88 -19.086 -2.625 10.750 1.00 60.15 H new ATOM 0 HB2 LEU A 88 -16.678 -0.891 10.165 1.00 75.42 H new ATOM 0 HB3 LEU A 88 -18.088 -0.966 9.126 1.00 75.42 H new ATOM 0 HG LEU A 88 -18.494 0.920 10.422 1.00 52.13 H new ATOM 0 HD11 LEU A 88 -20.328 0.349 11.979 1.00 13.23 H new ATOM 0 HD12 LEU A 88 -20.434 -0.576 10.463 1.00 13.23 H new ATOM 0 HD13 LEU A 88 -19.820 -1.356 11.940 1.00 13.23 H new ATOM 0 HD21 LEU A 88 -18.145 1.068 12.854 1.00 15.12 H new ATOM 0 HD22 LEU A 88 -17.542 -0.607 12.864 1.00 15.12 H new ATOM 0 HD23 LEU A 88 -16.644 0.658 11.991 1.00 15.12 H new ATOM 1460 N LEU A 89 -16.274 -3.809 9.497 1.00 1.01 N ATOM 1461 CA LEU A 89 -15.799 -4.853 8.593 1.00 22.30 C ATOM 1462 C LEU A 89 -15.555 -6.156 9.351 1.00 60.34 C ATOM 1463 O LEU A 89 -15.449 -7.229 8.764 1.00 22.12 O ATOM 1464 CB LEU A 89 -14.517 -4.418 7.873 1.00 11.40 C ATOM 1465 CG LEU A 89 -13.833 -5.515 7.076 1.00 71.21 C ATOM 1466 CD1 LEU A 89 -14.507 -5.718 5.733 1.00 64.45 C ATOM 1467 CD2 LEU A 89 -12.360 -5.202 6.930 1.00 21.03 C ATOM 0 H LEU A 89 -15.549 -3.354 10.052 1.00 1.01 H new ATOM 0 HA LEU A 89 -16.575 -5.021 7.846 1.00 22.30 H new ATOM 0 HB2 LEU A 89 -14.756 -3.594 7.200 1.00 11.40 H new ATOM 0 HB3 LEU A 89 -13.814 -4.033 8.612 1.00 11.40 H new ATOM 0 HG LEU A 89 -13.926 -6.456 7.617 1.00 71.21 H new ATOM 0 HD11 LEU A 89 -13.995 -6.509 5.185 1.00 64.45 H new ATOM 0 HD12 LEU A 89 -15.549 -5.999 5.887 1.00 64.45 H new ATOM 0 HD13 LEU A 89 -14.462 -4.792 5.160 1.00 64.45 H new ATOM 0 HD21 LEU A 89 -11.875 -5.993 6.357 1.00 21.03 H new ATOM 0 HD22 LEU A 89 -12.240 -4.252 6.410 1.00 21.03 H new ATOM 0 HD23 LEU A 89 -11.902 -5.136 7.917 1.00 21.03 H new ATOM 1479 N LEU A 90 -15.492 -6.061 10.658 1.00 71.35 N ATOM 1480 CA LEU A 90 -15.063 -7.184 11.482 1.00 45.23 C ATOM 1481 C LEU A 90 -16.197 -7.787 12.315 1.00 74.20 C ATOM 1482 O LEU A 90 -15.945 -8.393 13.355 1.00 4.13 O ATOM 1483 CB LEU A 90 -13.949 -6.700 12.396 1.00 21.41 C ATOM 1484 CG LEU A 90 -12.841 -5.936 11.673 1.00 52.20 C ATOM 1485 CD1 LEU A 90 -12.021 -5.134 12.659 1.00 43.31 C ATOM 1486 CD2 LEU A 90 -11.948 -6.885 10.896 1.00 74.01 C ATOM 0 H LEU A 90 -15.731 -5.219 11.182 1.00 71.35 H new ATOM 0 HA LEU A 90 -14.718 -7.978 10.820 1.00 45.23 H new ATOM 0 HB2 LEU A 90 -14.377 -6.057 13.165 1.00 21.41 H new ATOM 0 HB3 LEU A 90 -13.512 -7.559 12.905 1.00 21.41 H new ATOM 0 HG LEU A 90 -13.308 -5.250 10.967 1.00 52.20 H new ATOM 0 HD11 LEU A 90 -11.236 -4.596 12.127 1.00 43.31 H new ATOM 0 HD12 LEU A 90 -12.665 -4.421 13.173 1.00 43.31 H new ATOM 0 HD13 LEU A 90 -11.569 -5.806 13.389 1.00 43.31 H new ATOM 0 HD21 LEU A 90 -11.167 -6.317 10.390 1.00 74.01 H new ATOM 0 HD22 LEU A 90 -11.491 -7.599 11.582 1.00 74.01 H new ATOM 0 HD23 LEU A 90 -12.543 -7.422 10.157 1.00 74.01 H new ATOM 1498 N TYR A 91 -17.434 -7.643 11.859 1.00 71.54 N ATOM 1499 CA TYR A 91 -18.572 -8.204 12.583 1.00 40.42 C ATOM 1500 C TYR A 91 -18.719 -9.702 12.317 1.00 34.32 C ATOM 1501 O TYR A 91 -18.221 -10.221 11.311 1.00 11.35 O ATOM 1502 CB TYR A 91 -19.869 -7.483 12.198 1.00 14.04 C ATOM 1503 CG TYR A 91 -20.338 -7.738 10.777 1.00 65.13 C ATOM 1504 CD1 TYR A 91 -21.037 -8.898 10.449 1.00 55.32 C ATOM 1505 CD2 TYR A 91 -20.091 -6.818 9.765 1.00 42.31 C ATOM 1506 CE1 TYR A 91 -21.470 -9.132 9.162 1.00 44.41 C ATOM 1507 CE2 TYR A 91 -20.525 -7.046 8.472 1.00 2.40 C ATOM 1508 CZ TYR A 91 -21.214 -8.206 8.175 1.00 25.35 C ATOM 1509 OH TYR A 91 -21.645 -8.445 6.890 1.00 21.00 O ATOM 0 H TYR A 91 -17.676 -7.148 11.000 1.00 71.54 H new ATOM 0 HA TYR A 91 -18.384 -8.059 13.647 1.00 40.42 H new ATOM 0 HB2 TYR A 91 -20.657 -7.789 12.887 1.00 14.04 H new ATOM 0 HB3 TYR A 91 -19.726 -6.411 12.332 1.00 14.04 H new ATOM 0 HD1 TYR A 91 -21.243 -9.628 11.218 1.00 55.32 H new ATOM 0 HD2 TYR A 91 -19.551 -5.910 9.992 1.00 42.31 H new ATOM 0 HE1 TYR A 91 -22.008 -10.039 8.928 1.00 44.41 H new ATOM 0 HE2 TYR A 91 -20.326 -6.320 7.697 1.00 2.40 H new ATOM 0 HH TYR A 91 -21.831 -7.593 6.444 1.00 21.00 H new ATOM 1519 N SER A 92 -19.421 -10.385 13.213 1.00 24.23 N ATOM 1520 CA SER A 92 -19.717 -11.798 13.042 1.00 54.52 C ATOM 1521 C SER A 92 -21.019 -11.980 12.260 1.00 21.12 C ATOM 1522 O SER A 92 -21.942 -11.171 12.361 1.00 33.31 O ATOM 1523 CB SER A 92 -19.799 -12.496 14.404 1.00 0.35 C ATOM 1524 OG SER A 92 -20.734 -11.861 15.262 1.00 63.02 O ATOM 0 H SER A 92 -19.797 -9.978 14.070 1.00 24.23 H new ATOM 0 HA SER A 92 -18.909 -12.256 12.471 1.00 54.52 H new ATOM 0 HB2 SER A 92 -20.084 -13.538 14.262 1.00 0.35 H new ATOM 0 HB3 SER A 92 -18.815 -12.496 14.873 1.00 0.35 H new ATOM 0 HG SER A 92 -20.762 -12.332 16.121 1.00 63.02 H new ATOM 1530 N CYS A 93 -21.079 -13.041 11.478 1.00 21.14 N ATOM 1531 CA CYS A 93 -22.210 -13.293 10.592 1.00 44.21 C ATOM 1532 C CYS A 93 -22.536 -14.781 10.570 1.00 5.14 C ATOM 1533 O CYS A 93 -21.933 -15.559 11.306 1.00 14.43 O ATOM 1534 CB CYS A 93 -21.853 -12.859 9.186 1.00 12.44 C ATOM 1535 SG CYS A 93 -20.581 -13.924 8.456 1.00 62.14 S ATOM 0 H CYS A 93 -20.350 -13.753 11.436 1.00 21.14 H new ATOM 0 HA CYS A 93 -23.072 -12.733 10.955 1.00 44.21 H new ATOM 0 HB2 CYS A 93 -22.746 -12.879 8.562 1.00 12.44 H new ATOM 0 HB3 CYS A 93 -21.499 -11.828 9.203 1.00 12.44 H new ATOM 0 HG CYS A 93 -19.940 -13.266 7.536 1.00 62.14 H new ATOM 1540 N ASN A 94 -23.453 -15.179 9.695 1.00 60.45 N ATOM 1541 CA ASN A 94 -23.832 -16.580 9.569 1.00 52.41 C ATOM 1542 C ASN A 94 -23.400 -17.153 8.214 1.00 55.44 C ATOM 1543 O ASN A 94 -24.239 -17.476 7.375 1.00 61.45 O ATOM 1544 CB ASN A 94 -25.350 -16.732 9.746 1.00 2.42 C ATOM 1545 CG ASN A 94 -25.820 -18.180 9.709 1.00 13.51 C ATOM 1546 OD1 ASN A 94 -25.018 -19.088 10.244 1.00 42.10 O flip ATOM 1547 ND2 ASN A 94 -26.911 -18.475 9.223 1.00 54.23 N flip ATOM 0 H ASN A 94 -23.948 -14.550 9.062 1.00 60.45 H new ATOM 0 HA ASN A 94 -23.320 -17.141 10.351 1.00 52.41 H new ATOM 0 HB2 ASN A 94 -25.644 -16.286 10.696 1.00 2.42 H new ATOM 0 HB3 ASN A 94 -25.858 -16.172 8.961 1.00 2.42 H new ATOM 0 HD21 ASN A 94 -27.503 -17.749 8.819 1.00 54.23 H new ATOM 0 HD22 ASN A 94 -27.224 -19.446 9.224 1.00 54.23 H new ATOM 1554 N CYS A 95 -22.092 -17.248 7.977 1.00 74.51 N ATOM 1555 CA CYS A 95 -21.599 -17.938 6.781 1.00 31.43 C ATOM 1556 C CYS A 95 -21.322 -19.411 7.082 1.00 72.43 C ATOM 1557 O CYS A 95 -21.013 -20.188 6.180 1.00 24.15 O ATOM 1558 CB CYS A 95 -20.323 -17.292 6.219 1.00 54.10 C ATOM 1559 SG CYS A 95 -20.593 -15.835 5.150 1.00 23.20 S ATOM 0 H CYS A 95 -21.366 -16.865 8.582 1.00 74.51 H new ATOM 0 HA CYS A 95 -22.384 -17.854 6.029 1.00 31.43 H new ATOM 0 HB2 CYS A 95 -19.687 -16.997 7.053 1.00 54.10 H new ATOM 0 HB3 CYS A 95 -19.775 -18.043 5.650 1.00 54.10 H new ATOM 0 HG CYS A 95 -19.709 -14.923 5.427 1.00 23.20 H new