USER MOD reduce.3.24.130724 H: found=0, std=0, add=800, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 801 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 Single : A 7 TYR OH : rot 110:sc= -0.316 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 16 TYR OH : rot -15:sc= 0 USER MOD Single : A 20 MET CE :methyl 142:sc= -2.08! (180deg=-5.18!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= -0.519 X(o=-0.52,f=-0.032) USER MOD Single : A 29 ASN : amide:sc= -0.0912 K(o=-0.091,f=-4.4!) USER MOD Single : A 33 SER OG : rot 71:sc= 1.2 USER MOD Single : A 37 LYS NZ :NH3+ -167:sc= 1.13 (180deg=0.958) USER MOD Single : A 40 LYS NZ :NH3+ -139:sc= 0.93 (180deg=-1.7!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -171:sc= 0.717 (180deg=0.655) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 HIS : no HD1:sc= -0.954 X(o=-0.95,f=-1.1) USER MOD Single : A 61 LYS NZ :NH3+ -173:sc= 1.3 (180deg=1.22) USER MOD Single : A 64 MET CE :methyl 158:sc= -0.186 (180deg=-0.771) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -0.189 K(o=-0.19,f=-4!) USER MOD Single : A 75 THR OG1 : rot 69:sc= 0.123 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl -159:sc= -0.542 (180deg=-1.08) USER MOD Single : A 84 ASN : amide:sc=-0.00179 X(o=-0.0018,f=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 HIS : no HD1:sc= -0.0121 X(o=-0.012,f=0) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= 0.043 K(o=0.043,f=-4.5!) USER MOD ----------------------------------------------------------------- ATOM 91 N TYR A 7 3.060 -12.794 8.348 1.00 2.31 N ATOM 92 CA TYR A 7 1.735 -12.618 7.771 1.00 31.25 C ATOM 93 C TYR A 7 1.810 -11.973 6.389 1.00 4.03 C ATOM 94 O TYR A 7 2.886 -11.835 5.810 1.00 4.33 O ATOM 95 CB TYR A 7 0.852 -11.787 8.712 1.00 53.11 C ATOM 96 CG TYR A 7 1.493 -10.512 9.211 1.00 70.54 C ATOM 97 CD1 TYR A 7 1.377 -9.326 8.502 1.00 30.34 C ATOM 98 CD2 TYR A 7 2.209 -10.495 10.403 1.00 23.00 C ATOM 99 CE1 TYR A 7 1.956 -8.160 8.961 1.00 62.45 C ATOM 100 CE2 TYR A 7 2.790 -9.334 10.869 1.00 53.12 C ATOM 101 CZ TYR A 7 2.662 -8.170 10.145 1.00 32.32 C ATOM 102 OH TYR A 7 3.240 -7.008 10.608 1.00 21.13 O ATOM 0 HA TYR A 7 1.286 -13.604 7.649 1.00 31.25 H new ATOM 0 HB2 TYR A 7 -0.073 -11.535 8.193 1.00 53.11 H new ATOM 0 HB3 TYR A 7 0.579 -12.401 9.570 1.00 53.11 H new ATOM 0 HD1 TYR A 7 0.824 -9.314 7.574 1.00 30.34 H new ATOM 0 HD2 TYR A 7 2.312 -11.406 10.974 1.00 23.00 H new ATOM 0 HE1 TYR A 7 1.856 -7.245 8.396 1.00 62.45 H new ATOM 0 HE2 TYR A 7 3.342 -9.338 11.797 1.00 53.12 H new ATOM 0 HH TYR A 7 2.760 -6.699 11.404 1.00 21.13 H new ATOM 112 N THR A 8 0.661 -11.588 5.859 1.00 5.05 N ATOM 113 CA THR A 8 0.586 -11.049 4.515 1.00 61.34 C ATOM 114 C THR A 8 0.362 -9.540 4.539 1.00 31.01 C ATOM 115 O THR A 8 -0.116 -8.992 5.535 1.00 3.40 O ATOM 116 CB THR A 8 -0.547 -11.730 3.725 1.00 10.15 C ATOM 117 OG1 THR A 8 -1.802 -11.538 4.396 1.00 10.32 O ATOM 118 CG2 THR A 8 -0.276 -13.220 3.577 1.00 0.13 C ATOM 0 H THR A 8 -0.235 -11.640 6.343 1.00 5.05 H new ATOM 0 HA THR A 8 1.538 -11.250 4.023 1.00 61.34 H new ATOM 0 HB THR A 8 -0.592 -11.278 2.734 1.00 10.15 H new ATOM 0 HG1 THR A 8 -2.516 -11.973 3.885 1.00 10.32 H new ATOM 0 HG21 THR A 8 -1.088 -13.683 3.016 1.00 0.13 H new ATOM 0 HG22 THR A 8 0.664 -13.368 3.045 1.00 0.13 H new ATOM 0 HG23 THR A 8 -0.210 -13.678 4.564 1.00 0.13 H new ATOM 126 N VAL A 9 0.712 -8.878 3.439 1.00 42.44 N ATOM 127 CA VAL A 9 0.529 -7.435 3.307 1.00 11.30 C ATOM 128 C VAL A 9 -0.937 -7.041 3.519 1.00 1.32 C ATOM 129 O VAL A 9 -1.231 -5.960 4.028 1.00 1.01 O ATOM 130 CB VAL A 9 1.024 -6.931 1.927 1.00 60.42 C ATOM 131 CG1 VAL A 9 0.266 -7.601 0.791 1.00 72.35 C ATOM 132 CG2 VAL A 9 0.919 -5.417 1.820 1.00 74.12 C ATOM 0 H VAL A 9 1.127 -9.322 2.620 1.00 42.44 H new ATOM 0 HA VAL A 9 1.129 -6.959 4.083 1.00 11.30 H new ATOM 0 HB VAL A 9 2.076 -7.203 1.840 1.00 60.42 H new ATOM 0 HG11 VAL A 9 0.636 -7.227 -0.164 1.00 72.35 H new ATOM 0 HG12 VAL A 9 0.415 -8.680 0.840 1.00 72.35 H new ATOM 0 HG13 VAL A 9 -0.797 -7.377 0.881 1.00 72.35 H new ATOM 0 HG21 VAL A 9 1.274 -5.096 0.841 1.00 74.12 H new ATOM 0 HG22 VAL A 9 -0.121 -5.115 1.946 1.00 74.12 H new ATOM 0 HG23 VAL A 9 1.528 -4.954 2.596 1.00 74.12 H new ATOM 142 N ALA A 10 -1.852 -7.941 3.165 1.00 12.34 N ATOM 143 CA ALA A 10 -3.276 -7.687 3.337 1.00 75.53 C ATOM 144 C ALA A 10 -3.625 -7.523 4.811 1.00 71.21 C ATOM 145 O ALA A 10 -4.419 -6.660 5.178 1.00 12.12 O ATOM 146 CB ALA A 10 -4.093 -8.810 2.721 1.00 31.34 C ATOM 0 H ALA A 10 -1.631 -8.850 2.758 1.00 12.34 H new ATOM 0 HA ALA A 10 -3.519 -6.756 2.824 1.00 75.53 H new ATOM 0 HB1 ALA A 10 -5.155 -8.605 2.858 1.00 31.34 H new ATOM 0 HB2 ALA A 10 -3.871 -8.879 1.656 1.00 31.34 H new ATOM 0 HB3 ALA A 10 -3.840 -9.753 3.206 1.00 31.34 H new ATOM 152 N GLN A 11 -3.011 -8.346 5.655 1.00 10.51 N ATOM 153 CA GLN A 11 -3.252 -8.273 7.089 1.00 33.31 C ATOM 154 C GLN A 11 -2.551 -7.056 7.677 1.00 30.24 C ATOM 155 O GLN A 11 -3.075 -6.400 8.572 1.00 11.13 O ATOM 156 CB GLN A 11 -2.773 -9.540 7.800 1.00 24.22 C ATOM 157 CG GLN A 11 -3.088 -9.529 9.288 1.00 61.25 C ATOM 158 CD GLN A 11 -2.780 -10.839 9.972 1.00 2.52 C ATOM 159 OE1 GLN A 11 -1.673 -11.058 10.451 1.00 40.40 O ATOM 160 NE2 GLN A 11 -3.767 -11.716 10.035 1.00 21.14 N ATOM 0 H GLN A 11 -2.347 -9.067 5.372 1.00 10.51 H new ATOM 0 HA GLN A 11 -4.327 -8.182 7.242 1.00 33.31 H new ATOM 0 HB2 GLN A 11 -3.241 -10.410 7.339 1.00 24.22 H new ATOM 0 HB3 GLN A 11 -1.697 -9.646 7.661 1.00 24.22 H new ATOM 0 HG2 GLN A 11 -2.517 -8.734 9.767 1.00 61.25 H new ATOM 0 HG3 GLN A 11 -4.143 -9.293 9.427 1.00 61.25 H new ATOM 0 HE21 GLN A 11 -4.673 -11.494 9.623 1.00 21.14 H new ATOM 0 HE22 GLN A 11 -3.622 -12.615 10.495 1.00 21.14 H new ATOM 169 N LEU A 12 -1.367 -6.758 7.155 1.00 33.21 N ATOM 170 CA LEU A 12 -0.589 -5.610 7.610 1.00 3.13 C ATOM 171 C LEU A 12 -1.368 -4.312 7.396 1.00 55.21 C ATOM 172 O LEU A 12 -1.376 -3.432 8.255 1.00 11.14 O ATOM 173 CB LEU A 12 0.754 -5.559 6.872 1.00 12.42 C ATOM 174 CG LEU A 12 1.685 -4.411 7.273 1.00 33.11 C ATOM 175 CD1 LEU A 12 2.001 -4.460 8.762 1.00 41.02 C ATOM 176 CD2 LEU A 12 2.965 -4.472 6.454 1.00 21.21 C ATOM 0 H LEU A 12 -0.922 -7.298 6.413 1.00 33.21 H new ATOM 0 HA LEU A 12 -0.398 -5.719 8.678 1.00 3.13 H new ATOM 0 HB2 LEU A 12 1.276 -6.501 7.038 1.00 12.42 H new ATOM 0 HB3 LEU A 12 0.558 -5.488 5.802 1.00 12.42 H new ATOM 0 HG LEU A 12 1.178 -3.468 7.069 1.00 33.11 H new ATOM 0 HD11 LEU A 12 2.664 -3.634 9.021 1.00 41.02 H new ATOM 0 HD12 LEU A 12 1.076 -4.376 9.333 1.00 41.02 H new ATOM 0 HD13 LEU A 12 2.489 -5.405 8.999 1.00 41.02 H new ATOM 0 HD21 LEU A 12 3.622 -3.652 6.745 1.00 21.21 H new ATOM 0 HD22 LEU A 12 3.468 -5.422 6.635 1.00 21.21 H new ATOM 0 HD23 LEU A 12 2.724 -4.385 5.395 1.00 21.21 H new ATOM 188 N ALA A 13 -2.042 -4.217 6.255 1.00 11.24 N ATOM 189 CA ALA A 13 -2.853 -3.051 5.930 1.00 63.25 C ATOM 190 C ALA A 13 -4.047 -2.935 6.873 1.00 41.32 C ATOM 191 O ALA A 13 -4.415 -1.839 7.297 1.00 13.41 O ATOM 192 CB ALA A 13 -3.320 -3.130 4.484 1.00 65.33 C ATOM 0 H ALA A 13 -2.042 -4.940 5.535 1.00 11.24 H new ATOM 0 HA ALA A 13 -2.240 -2.158 6.056 1.00 63.25 H new ATOM 0 HB1 ALA A 13 -3.926 -2.255 4.249 1.00 65.33 H new ATOM 0 HB2 ALA A 13 -2.454 -3.160 3.823 1.00 65.33 H new ATOM 0 HB3 ALA A 13 -3.916 -4.032 4.343 1.00 65.33 H new ATOM 198 N ASP A 14 -4.637 -4.072 7.210 1.00 0.21 N ATOM 199 CA ASP A 14 -5.800 -4.098 8.090 1.00 3.30 C ATOM 200 C ASP A 14 -5.386 -3.750 9.520 1.00 41.41 C ATOM 201 O ASP A 14 -6.084 -3.021 10.228 1.00 32.43 O ATOM 202 CB ASP A 14 -6.461 -5.476 8.047 1.00 23.35 C ATOM 203 CG ASP A 14 -7.859 -5.469 8.628 1.00 40.00 C ATOM 204 OD1 ASP A 14 -8.003 -5.622 9.858 1.00 31.23 O ATOM 205 OD2 ASP A 14 -8.823 -5.311 7.845 1.00 73.21 O ATOM 0 H ASP A 14 -4.331 -4.990 6.888 1.00 0.21 H new ATOM 0 HA ASP A 14 -6.520 -3.355 7.746 1.00 3.30 H new ATOM 0 HB2 ASP A 14 -6.502 -5.823 7.015 1.00 23.35 H new ATOM 0 HB3 ASP A 14 -5.846 -6.187 8.598 1.00 23.35 H new ATOM 210 N GLU A 15 -4.233 -4.270 9.927 1.00 44.13 N ATOM 211 CA GLU A 15 -3.650 -3.976 11.235 1.00 2.01 C ATOM 212 C GLU A 15 -3.335 -2.482 11.346 1.00 42.14 C ATOM 213 O GLU A 15 -3.511 -1.866 12.402 1.00 55.23 O ATOM 214 CB GLU A 15 -2.359 -4.789 11.408 1.00 72.30 C ATOM 215 CG GLU A 15 -1.780 -4.754 12.812 1.00 70.32 C ATOM 216 CD GLU A 15 -2.401 -5.783 13.737 1.00 21.23 C ATOM 217 OE1 GLU A 15 -3.631 -5.742 13.955 1.00 4.43 O ATOM 218 OE2 GLU A 15 -1.659 -6.638 14.259 1.00 73.43 O ATOM 0 H GLU A 15 -3.674 -4.908 9.360 1.00 44.13 H new ATOM 0 HA GLU A 15 -4.362 -4.246 12.015 1.00 2.01 H new ATOM 0 HB2 GLU A 15 -2.557 -5.826 11.135 1.00 72.30 H new ATOM 0 HB3 GLU A 15 -1.611 -4.413 10.710 1.00 72.30 H new ATOM 0 HG2 GLU A 15 -0.705 -4.923 12.759 1.00 70.32 H new ATOM 0 HG3 GLU A 15 -1.926 -3.760 13.234 1.00 70.32 H new ATOM 225 N TYR A 16 -2.866 -1.922 10.235 1.00 62.43 N ATOM 226 CA TYR A 16 -2.514 -0.508 10.136 1.00 2.14 C ATOM 227 C TYR A 16 -3.731 0.377 10.421 1.00 3.24 C ATOM 228 O TYR A 16 -3.619 1.416 11.083 1.00 71.10 O ATOM 229 CB TYR A 16 -1.972 -0.239 8.727 1.00 30.00 C ATOM 230 CG TYR A 16 -1.335 1.116 8.523 1.00 53.43 C ATOM 231 CD1 TYR A 16 -0.013 1.340 8.884 1.00 11.33 C ATOM 232 CD2 TYR A 16 -2.042 2.160 7.941 1.00 64.44 C ATOM 233 CE1 TYR A 16 0.587 2.568 8.677 1.00 73.23 C ATOM 234 CE2 TYR A 16 -1.449 3.389 7.725 1.00 32.33 C ATOM 235 CZ TYR A 16 -0.136 3.589 8.095 1.00 24.23 C ATOM 236 OH TYR A 16 0.460 4.811 7.876 1.00 55.03 O ATOM 0 H TYR A 16 -2.718 -2.441 9.370 1.00 62.43 H new ATOM 0 HA TYR A 16 -1.753 -0.268 10.878 1.00 2.14 H new ATOM 0 HB2 TYR A 16 -1.237 -1.007 8.487 1.00 30.00 H new ATOM 0 HB3 TYR A 16 -2.790 -0.347 8.015 1.00 30.00 H new ATOM 0 HD1 TYR A 16 0.557 0.541 9.335 1.00 11.33 H new ATOM 0 HD2 TYR A 16 -3.072 2.009 7.653 1.00 64.44 H new ATOM 0 HE1 TYR A 16 1.615 2.727 8.969 1.00 73.23 H new ATOM 0 HE2 TYR A 16 -2.012 4.190 7.268 1.00 32.33 H new ATOM 0 HH TYR A 16 1.290 4.867 8.394 1.00 55.03 H new ATOM 246 N PHE A 17 -4.889 -0.066 9.928 1.00 33.34 N ATOM 247 CA PHE A 17 -6.158 0.642 10.111 1.00 2.44 C ATOM 248 C PHE A 17 -6.415 0.926 11.593 1.00 3.11 C ATOM 249 O PHE A 17 -6.740 2.050 11.974 1.00 33.23 O ATOM 250 CB PHE A 17 -7.297 -0.214 9.528 1.00 63.54 C ATOM 251 CG PHE A 17 -8.655 0.441 9.523 1.00 12.45 C ATOM 252 CD1 PHE A 17 -9.449 0.449 10.661 1.00 25.14 C ATOM 253 CD2 PHE A 17 -9.141 1.036 8.371 1.00 71.10 C ATOM 254 CE1 PHE A 17 -10.698 1.041 10.645 1.00 54.50 C ATOM 255 CE2 PHE A 17 -10.390 1.627 8.350 1.00 23.21 C ATOM 256 CZ PHE A 17 -11.170 1.630 9.490 1.00 42.52 C ATOM 0 H PHE A 17 -4.974 -0.928 9.389 1.00 33.34 H new ATOM 0 HA PHE A 17 -6.112 1.599 9.591 1.00 2.44 H new ATOM 0 HB2 PHE A 17 -7.039 -0.485 8.504 1.00 63.54 H new ATOM 0 HB3 PHE A 17 -7.361 -1.141 10.097 1.00 63.54 H new ATOM 0 HD1 PHE A 17 -9.087 -0.012 11.568 1.00 25.14 H new ATOM 0 HD2 PHE A 17 -8.536 1.038 7.477 1.00 71.10 H new ATOM 0 HE1 PHE A 17 -11.305 1.043 11.538 1.00 54.50 H new ATOM 0 HE2 PHE A 17 -10.756 2.086 7.443 1.00 23.21 H new ATOM 0 HZ PHE A 17 -12.146 2.092 9.477 1.00 42.52 H new ATOM 266 N GLU A 18 -6.219 -0.096 12.416 1.00 65.14 N ATOM 267 CA GLU A 18 -6.526 -0.037 13.845 1.00 41.14 C ATOM 268 C GLU A 18 -5.666 1.001 14.586 1.00 2.11 C ATOM 269 O GLU A 18 -6.064 1.516 15.628 1.00 22.44 O ATOM 270 CB GLU A 18 -6.345 -1.446 14.441 1.00 31.22 C ATOM 271 CG GLU A 18 -6.305 -1.529 15.966 1.00 33.21 C ATOM 272 CD GLU A 18 -7.570 -1.051 16.654 1.00 5.21 C ATOM 273 OE1 GLU A 18 -8.678 -1.418 16.206 1.00 4.44 O ATOM 274 OE2 GLU A 18 -7.457 -0.316 17.658 1.00 73.10 O ATOM 0 H GLU A 18 -5.841 -0.994 12.113 1.00 65.14 H new ATOM 0 HA GLU A 18 -7.558 0.289 13.971 1.00 41.14 H new ATOM 0 HB2 GLU A 18 -7.159 -2.077 14.084 1.00 31.22 H new ATOM 0 HB3 GLU A 18 -5.419 -1.868 14.050 1.00 31.22 H new ATOM 0 HG2 GLU A 18 -6.117 -2.563 16.256 1.00 33.21 H new ATOM 0 HG3 GLU A 18 -5.464 -0.938 16.328 1.00 33.21 H new ATOM 281 N ARG A 19 -4.501 1.333 14.050 1.00 1.43 N ATOM 282 CA ARG A 19 -3.595 2.237 14.757 1.00 54.43 C ATOM 283 C ARG A 19 -3.653 3.662 14.210 1.00 55.01 C ATOM 284 O ARG A 19 -3.700 4.624 14.978 1.00 42.14 O ATOM 285 CB ARG A 19 -2.150 1.715 14.720 1.00 43.42 C ATOM 286 CG ARG A 19 -1.878 0.589 15.711 1.00 23.25 C ATOM 287 CD ARG A 19 -2.652 -0.668 15.356 1.00 0.52 C ATOM 288 NE ARG A 19 -2.588 -1.687 16.400 1.00 32.24 N ATOM 289 CZ ARG A 19 -3.035 -2.928 16.239 1.00 63.01 C ATOM 290 NH1 ARG A 19 -3.557 -3.291 15.077 1.00 61.51 N ATOM 291 NH2 ARG A 19 -2.969 -3.803 17.233 1.00 33.23 N ATOM 0 H ARG A 19 -4.162 1.000 13.147 1.00 1.43 H new ATOM 0 HA ARG A 19 -3.933 2.267 15.793 1.00 54.43 H new ATOM 0 HB2 ARG A 19 -1.926 1.362 13.713 1.00 43.42 H new ATOM 0 HB3 ARG A 19 -1.470 2.541 14.927 1.00 43.42 H new ATOM 0 HG2 ARG A 19 -0.811 0.367 15.727 1.00 23.25 H new ATOM 0 HG3 ARG A 19 -2.151 0.914 16.715 1.00 23.25 H new ATOM 0 HD2 ARG A 19 -3.694 -0.407 15.173 1.00 0.52 H new ATOM 0 HD3 ARG A 19 -2.259 -1.081 14.427 1.00 0.52 H new ATOM 0 HE ARG A 19 -2.179 -1.433 17.299 1.00 32.24 H new ATOM 0 HH11 ARG A 19 -3.614 -2.619 14.312 1.00 61.51 H new ATOM 0 HH12 ARG A 19 -3.902 -4.242 14.948 1.00 61.51 H new ATOM 0 HH21 ARG A 19 -2.573 -3.526 18.131 1.00 33.23 H new ATOM 0 HH22 ARG A 19 -3.315 -4.753 17.100 1.00 33.23 H new ATOM 305 N MET A 20 -3.658 3.803 12.892 1.00 1.34 N ATOM 306 CA MET A 20 -3.564 5.128 12.276 1.00 4.42 C ATOM 307 C MET A 20 -4.937 5.731 11.989 1.00 60.54 C ATOM 308 O MET A 20 -5.095 6.949 11.970 1.00 5.32 O ATOM 309 CB MET A 20 -2.745 5.059 10.985 1.00 53.14 C ATOM 310 CG MET A 20 -1.279 4.691 11.187 1.00 2.42 C ATOM 311 SD MET A 20 -0.282 6.035 11.879 1.00 50.14 S ATOM 312 CE MET A 20 -0.747 5.993 13.609 1.00 62.44 C ATOM 0 H MET A 20 -3.725 3.029 12.231 1.00 1.34 H new ATOM 0 HA MET A 20 -3.062 5.779 12.992 1.00 4.42 H new ATOM 0 HB2 MET A 20 -3.202 4.328 10.318 1.00 53.14 H new ATOM 0 HB3 MET A 20 -2.799 6.025 10.483 1.00 53.14 H new ATOM 0 HG2 MET A 20 -1.218 3.827 11.849 1.00 2.42 H new ATOM 0 HG3 MET A 20 -0.853 4.390 10.230 1.00 2.42 H new ATOM 0 HE1 MET A 20 0.128 6.195 14.226 1.00 62.44 H new ATOM 0 HE2 MET A 20 -1.508 6.750 13.800 1.00 62.44 H new ATOM 0 HE3 MET A 20 -1.145 5.008 13.855 1.00 62.44 H new ATOM 322 N ILE A 21 -5.932 4.880 11.792 1.00 55.21 N ATOM 323 CA ILE A 21 -7.260 5.338 11.400 1.00 31.41 C ATOM 324 C ILE A 21 -8.220 5.266 12.590 1.00 4.24 C ATOM 325 O ILE A 21 -9.431 5.439 12.459 1.00 24.42 O ATOM 326 CB ILE A 21 -7.777 4.511 10.197 1.00 71.41 C ATOM 327 CG1 ILE A 21 -6.670 4.417 9.142 1.00 13.10 C ATOM 328 CG2 ILE A 21 -9.023 5.146 9.592 1.00 40.35 C ATOM 329 CD1 ILE A 21 -7.025 3.577 7.940 1.00 15.44 C ATOM 0 H ILE A 21 -5.847 3.869 11.896 1.00 55.21 H new ATOM 0 HA ILE A 21 -7.201 6.380 11.086 1.00 31.41 H new ATOM 0 HB ILE A 21 -8.045 3.513 10.544 1.00 71.41 H new ATOM 0 HG12 ILE A 21 -6.419 5.423 8.806 1.00 13.10 H new ATOM 0 HG13 ILE A 21 -5.775 4.004 9.608 1.00 13.10 H new ATOM 0 HG21 ILE A 21 -9.365 4.545 8.749 1.00 40.35 H new ATOM 0 HG22 ILE A 21 -9.809 5.195 10.346 1.00 40.35 H new ATOM 0 HG23 ILE A 21 -8.788 6.153 9.248 1.00 40.35 H new ATOM 0 HD11 ILE A 21 -6.186 3.564 7.244 1.00 15.44 H new ATOM 0 HD12 ILE A 21 -7.246 2.559 8.260 1.00 15.44 H new ATOM 0 HD13 ILE A 21 -7.900 4.000 7.446 1.00 15.44 H new ATOM 341 N ALA A 22 -7.661 5.034 13.767 1.00 32.51 N ATOM 342 CA ALA A 22 -8.443 5.039 14.994 1.00 60.22 C ATOM 343 C ALA A 22 -8.193 6.324 15.773 1.00 22.13 C ATOM 344 O ALA A 22 -7.550 6.320 16.824 1.00 35.43 O ATOM 345 CB ALA A 22 -8.119 3.826 15.849 1.00 21.11 C ATOM 0 H ALA A 22 -6.668 4.840 13.899 1.00 32.51 H new ATOM 0 HA ALA A 22 -9.499 4.991 14.727 1.00 60.22 H new ATOM 0 HB1 ALA A 22 -8.716 3.853 16.760 1.00 21.11 H new ATOM 0 HB2 ALA A 22 -8.347 2.917 15.292 1.00 21.11 H new ATOM 0 HB3 ALA A 22 -7.060 3.836 16.109 1.00 21.11 H new ATOM 351 N GLY A 23 -8.683 7.428 15.232 1.00 31.14 N ATOM 352 CA GLY A 23 -8.501 8.715 15.869 1.00 61.11 C ATOM 353 C GLY A 23 -8.438 9.842 14.860 1.00 11.11 C ATOM 354 O GLY A 23 -7.405 10.045 14.220 1.00 5.43 O ATOM 0 H GLY A 23 -9.207 7.455 14.357 1.00 31.14 H new ATOM 0 HA2 GLY A 23 -9.322 8.895 16.563 1.00 61.11 H new ATOM 0 HA3 GLY A 23 -7.583 8.702 16.457 1.00 61.11 H new ATOM 358 N ARG A 24 -9.552 10.563 14.725 1.00 42.21 N ATOM 359 CA ARG A 24 -9.678 11.671 13.778 1.00 70.45 C ATOM 360 C ARG A 24 -9.515 11.175 12.346 1.00 41.31 C ATOM 361 O ARG A 24 -8.470 11.357 11.720 1.00 1.33 O ATOM 362 CB ARG A 24 -8.660 12.769 14.083 1.00 75.51 C ATOM 363 CG ARG A 24 -9.209 14.181 13.945 1.00 13.15 C ATOM 364 CD ARG A 24 -9.572 14.533 12.512 1.00 42.23 C ATOM 365 NE ARG A 24 -10.003 15.927 12.394 1.00 43.14 N ATOM 366 CZ ARG A 24 -10.914 16.361 11.524 1.00 52.13 C ATOM 367 NH1 ARG A 24 -11.420 15.531 10.622 1.00 43.13 N ATOM 368 NH2 ARG A 24 -11.287 17.636 11.535 1.00 64.12 N ATOM 0 H ARG A 24 -10.396 10.394 15.272 1.00 42.21 H new ATOM 0 HA ARG A 24 -10.677 12.094 13.886 1.00 70.45 H new ATOM 0 HB2 ARG A 24 -8.288 12.633 15.099 1.00 75.51 H new ATOM 0 HB3 ARG A 24 -7.807 12.655 13.414 1.00 75.51 H new ATOM 0 HG2 ARG A 24 -10.092 14.286 14.575 1.00 13.15 H new ATOM 0 HG3 ARG A 24 -8.469 14.892 14.313 1.00 13.15 H new ATOM 0 HD2 ARG A 24 -8.712 14.361 11.865 1.00 42.23 H new ATOM 0 HD3 ARG A 24 -10.368 13.874 12.165 1.00 42.23 H new ATOM 0 HE ARG A 24 -9.578 16.611 13.019 1.00 43.14 H new ATOM 0 HH11 ARG A 24 -11.112 14.559 10.594 1.00 43.13 H new ATOM 0 HH12 ARG A 24 -12.117 15.865 9.957 1.00 43.13 H new ATOM 0 HH21 ARG A 24 -10.876 18.282 12.209 1.00 64.12 H new ATOM 0 HH22 ARG A 24 -11.984 17.969 10.869 1.00 64.12 H new ATOM 382 N TRP A 25 -10.556 10.539 11.840 1.00 32.21 N ATOM 383 CA TRP A 25 -10.531 9.992 10.492 1.00 50.34 C ATOM 384 C TRP A 25 -11.756 10.459 9.705 1.00 13.10 C ATOM 385 O TRP A 25 -11.630 10.868 8.555 1.00 74.43 O ATOM 386 CB TRP A 25 -10.420 8.455 10.531 1.00 72.20 C ATOM 387 CG TRP A 25 -11.600 7.740 11.124 1.00 65.41 C ATOM 388 CD1 TRP A 25 -12.527 7.013 10.443 1.00 10.31 C ATOM 389 CD2 TRP A 25 -11.990 7.692 12.504 1.00 64.20 C ATOM 390 NE1 TRP A 25 -13.462 6.504 11.311 1.00 71.51 N ATOM 391 CE2 TRP A 25 -13.156 6.912 12.581 1.00 73.34 C ATOM 392 CE3 TRP A 25 -11.465 8.228 13.682 1.00 31.15 C ATOM 393 CZ2 TRP A 25 -13.807 6.658 13.785 1.00 21.01 C ATOM 394 CZ3 TRP A 25 -12.113 7.976 14.877 1.00 12.23 C ATOM 395 CH2 TRP A 25 -13.271 7.198 14.920 1.00 22.35 C ATOM 0 H TRP A 25 -11.431 10.387 12.341 1.00 32.21 H new ATOM 0 HA TRP A 25 -9.647 10.366 9.975 1.00 50.34 H new ATOM 0 HB2 TRP A 25 -10.270 8.092 9.514 1.00 72.20 H new ATOM 0 HB3 TRP A 25 -9.530 8.186 11.100 1.00 72.20 H new ATOM 0 HD1 TRP A 25 -12.528 6.858 9.374 1.00 10.31 H new ATOM 0 HE1 TRP A 25 -14.255 5.918 11.051 1.00 71.51 H new ATOM 0 HE3 TRP A 25 -10.568 8.829 13.660 1.00 31.15 H new ATOM 0 HZ2 TRP A 25 -14.703 6.056 13.821 1.00 21.01 H new ATOM 0 HZ3 TRP A 25 -11.716 8.388 15.793 1.00 12.23 H new ATOM 0 HH2 TRP A 25 -13.753 7.019 15.870 1.00 22.35 H new ATOM 406 N LYS A 26 -12.935 10.383 10.333 1.00 75.21 N ATOM 407 CA LYS A 26 -14.163 11.018 9.826 1.00 53.12 C ATOM 408 C LYS A 26 -14.693 10.414 8.518 1.00 54.35 C ATOM 409 O LYS A 26 -15.832 10.677 8.136 1.00 22.42 O ATOM 410 CB LYS A 26 -13.953 12.529 9.662 1.00 52.00 C ATOM 411 CG LYS A 26 -13.715 13.267 10.976 1.00 74.03 C ATOM 412 CD LYS A 26 -15.012 13.586 11.720 1.00 23.11 C ATOM 413 CE LYS A 26 -15.783 12.335 12.122 1.00 54.52 C ATOM 414 NZ LYS A 26 -16.982 12.658 12.937 1.00 13.03 N ATOM 0 H LYS A 26 -13.068 9.879 11.210 1.00 75.21 H new ATOM 0 HA LYS A 26 -14.928 10.822 10.577 1.00 53.12 H new ATOM 0 HB2 LYS A 26 -13.102 12.698 9.003 1.00 52.00 H new ATOM 0 HB3 LYS A 26 -14.827 12.956 9.170 1.00 52.00 H new ATOM 0 HG2 LYS A 26 -13.074 12.661 11.616 1.00 74.03 H new ATOM 0 HG3 LYS A 26 -13.180 14.195 10.774 1.00 74.03 H new ATOM 0 HD2 LYS A 26 -14.780 14.167 12.612 1.00 23.11 H new ATOM 0 HD3 LYS A 26 -15.644 14.210 11.088 1.00 23.11 H new ATOM 0 HE2 LYS A 26 -16.088 11.794 11.226 1.00 54.52 H new ATOM 0 HE3 LYS A 26 -15.128 11.672 12.687 1.00 54.52 H new ATOM 0 HZ1 LYS A 26 -17.477 11.779 13.189 1.00 13.03 H new ATOM 0 HZ2 LYS A 26 -16.689 13.152 13.804 1.00 13.03 H new ATOM 0 HZ3 LYS A 26 -17.620 13.270 12.389 1.00 13.03 H new ATOM 428 N HIS A 27 -13.885 9.623 7.832 1.00 23.10 N ATOM 429 CA HIS A 27 -14.330 8.952 6.616 1.00 62.35 C ATOM 430 C HIS A 27 -13.694 7.572 6.493 1.00 2.45 C ATOM 431 O HIS A 27 -12.695 7.379 5.800 1.00 74.02 O ATOM 432 CB HIS A 27 -14.092 9.805 5.348 1.00 32.22 C ATOM 433 CG HIS A 27 -12.706 10.372 5.157 1.00 44.21 C ATOM 434 ND1 HIS A 27 -12.457 11.435 4.313 1.00 52.23 N ATOM 435 CD2 HIS A 27 -11.499 10.026 5.674 1.00 63.31 C ATOM 436 CE1 HIS A 27 -11.169 11.714 4.320 1.00 40.14 C ATOM 437 NE2 HIS A 27 -10.565 10.876 5.136 1.00 1.13 N ATOM 0 H HIS A 27 -12.919 9.428 8.093 1.00 23.10 H new ATOM 0 HA HIS A 27 -15.409 8.821 6.698 1.00 62.35 H new ATOM 0 HB2 HIS A 27 -14.331 9.194 4.478 1.00 32.22 H new ATOM 0 HB3 HIS A 27 -14.799 10.634 5.359 1.00 32.22 H new ATOM 0 HD2 HIS A 27 -11.309 9.229 6.378 1.00 63.31 H new ATOM 0 HE1 HIS A 27 -10.690 12.498 3.752 1.00 40.14 H new ATOM 0 HE2 HIS A 27 -9.565 10.861 5.336 1.00 1.13 H new ATOM 446 N PRO A 28 -14.287 6.588 7.179 1.00 10.44 N ATOM 447 CA PRO A 28 -13.754 5.229 7.248 1.00 32.13 C ATOM 448 C PRO A 28 -13.842 4.516 5.906 1.00 51.52 C ATOM 449 O PRO A 28 -12.898 3.859 5.478 1.00 51.24 O ATOM 450 CB PRO A 28 -14.652 4.527 8.279 1.00 54.21 C ATOM 451 CG PRO A 28 -15.449 5.611 8.927 1.00 20.35 C ATOM 452 CD PRO A 28 -15.542 6.721 7.929 1.00 52.33 C ATOM 0 HA PRO A 28 -12.698 5.224 7.519 1.00 32.13 H new ATOM 0 HB2 PRO A 28 -15.303 3.797 7.798 1.00 54.21 H new ATOM 0 HB3 PRO A 28 -14.055 3.987 9.014 1.00 54.21 H new ATOM 0 HG2 PRO A 28 -16.441 5.252 9.202 1.00 20.35 H new ATOM 0 HG3 PRO A 28 -14.968 5.952 9.844 1.00 20.35 H new ATOM 0 HD2 PRO A 28 -16.413 6.612 7.283 1.00 52.33 H new ATOM 0 HD3 PRO A 28 -15.623 7.694 8.413 1.00 52.33 H new ATOM 460 N ASN A 29 -14.976 4.676 5.236 1.00 74.22 N ATOM 461 CA ASN A 29 -15.218 4.014 3.957 1.00 1.45 C ATOM 462 C ASN A 29 -14.303 4.565 2.872 1.00 24.45 C ATOM 463 O ASN A 29 -13.911 3.842 1.959 1.00 10.10 O ATOM 464 CB ASN A 29 -16.688 4.156 3.532 1.00 25.23 C ATOM 465 CG ASN A 29 -17.127 5.598 3.341 1.00 41.20 C ATOM 466 OD1 ASN A 29 -16.654 6.509 4.026 1.00 31.13 O ATOM 467 ND2 ASN A 29 -18.030 5.819 2.400 1.00 11.22 N ATOM 0 H ASN A 29 -15.747 5.261 5.558 1.00 74.22 H new ATOM 0 HA ASN A 29 -14.996 2.955 4.089 1.00 1.45 H new ATOM 0 HB2 ASN A 29 -16.843 3.611 2.601 1.00 25.23 H new ATOM 0 HB3 ASN A 29 -17.322 3.688 4.285 1.00 25.23 H new ATOM 0 HD21 ASN A 29 -18.358 6.768 2.221 1.00 11.22 H new ATOM 0 HD22 ASN A 29 -18.398 5.040 1.854 1.00 11.22 H new ATOM 474 N ILE A 30 -13.946 5.836 2.982 1.00 72.22 N ATOM 475 CA ILE A 30 -13.077 6.465 1.999 1.00 23.52 C ATOM 476 C ILE A 30 -11.678 5.863 2.060 1.00 24.51 C ATOM 477 O ILE A 30 -11.139 5.421 1.045 1.00 54.53 O ATOM 478 CB ILE A 30 -13.004 7.993 2.201 1.00 55.30 C ATOM 479 CG1 ILE A 30 -14.397 8.614 2.046 1.00 44.25 C ATOM 480 CG2 ILE A 30 -12.024 8.626 1.221 1.00 20.11 C ATOM 481 CD1 ILE A 30 -15.043 8.350 0.702 1.00 13.44 C ATOM 0 H ILE A 30 -14.244 6.450 3.740 1.00 72.22 H new ATOM 0 HA ILE A 30 -13.505 6.275 1.015 1.00 23.52 H new ATOM 0 HB ILE A 30 -12.643 8.189 3.211 1.00 55.30 H new ATOM 0 HG12 ILE A 30 -15.046 8.227 2.832 1.00 44.25 H new ATOM 0 HG13 ILE A 30 -14.322 9.691 2.196 1.00 44.25 H new ATOM 0 HG21 ILE A 30 -11.991 9.703 1.384 1.00 20.11 H new ATOM 0 HG22 ILE A 30 -11.031 8.205 1.377 1.00 20.11 H new ATOM 0 HG23 ILE A 30 -12.348 8.423 0.200 1.00 20.11 H new ATOM 0 HD11 ILE A 30 -16.025 8.822 0.671 1.00 13.44 H new ATOM 0 HD12 ILE A 30 -14.417 8.762 -0.090 1.00 13.44 H new ATOM 0 HD13 ILE A 30 -15.152 7.275 0.556 1.00 13.44 H new ATOM 493 N VAL A 31 -11.107 5.812 3.257 1.00 10.12 N ATOM 494 CA VAL A 31 -9.771 5.258 3.426 1.00 73.32 C ATOM 495 C VAL A 31 -9.796 3.735 3.268 1.00 72.22 C ATOM 496 O VAL A 31 -8.813 3.132 2.837 1.00 14.32 O ATOM 497 CB VAL A 31 -9.148 5.653 4.788 1.00 5.43 C ATOM 498 CG1 VAL A 31 -9.904 5.025 5.948 1.00 75.34 C ATOM 499 CG2 VAL A 31 -7.673 5.282 4.831 1.00 11.53 C ATOM 0 H VAL A 31 -11.543 6.144 4.117 1.00 10.12 H new ATOM 0 HA VAL A 31 -9.141 5.683 2.644 1.00 73.32 H new ATOM 0 HB VAL A 31 -9.231 6.735 4.892 1.00 5.43 H new ATOM 0 HG11 VAL A 31 -9.440 5.323 6.888 1.00 75.34 H new ATOM 0 HG12 VAL A 31 -10.940 5.362 5.932 1.00 75.34 H new ATOM 0 HG13 VAL A 31 -9.874 3.939 5.857 1.00 75.34 H new ATOM 0 HG21 VAL A 31 -7.254 5.568 5.796 1.00 11.53 H new ATOM 0 HG22 VAL A 31 -7.564 4.206 4.692 1.00 11.53 H new ATOM 0 HG23 VAL A 31 -7.143 5.806 4.036 1.00 11.53 H new ATOM 509 N ARG A 32 -10.930 3.120 3.593 1.00 55.15 N ATOM 510 CA ARG A 32 -11.105 1.688 3.379 1.00 73.13 C ATOM 511 C ARG A 32 -11.063 1.366 1.897 1.00 75.11 C ATOM 512 O ARG A 32 -10.441 0.391 1.491 1.00 35.05 O ATOM 513 CB ARG A 32 -12.419 1.193 3.983 1.00 75.31 C ATOM 514 CG ARG A 32 -12.244 0.478 5.312 1.00 12.34 C ATOM 515 CD ARG A 32 -11.378 -0.763 5.159 1.00 63.42 C ATOM 516 NE ARG A 32 -11.265 -1.516 6.407 1.00 65.31 N ATOM 517 CZ ARG A 32 -10.440 -2.551 6.584 1.00 13.24 C ATOM 518 NH1 ARG A 32 -9.674 -2.982 5.587 1.00 72.12 N ATOM 519 NH2 ARG A 32 -10.396 -3.173 7.753 1.00 23.13 N ATOM 0 H ARG A 32 -11.737 3.589 4.004 1.00 55.15 H new ATOM 0 HA ARG A 32 -10.285 1.174 3.880 1.00 73.13 H new ATOM 0 HB2 ARG A 32 -13.088 2.042 4.122 1.00 75.31 H new ATOM 0 HB3 ARG A 32 -12.903 0.518 3.277 1.00 75.31 H new ATOM 0 HG2 ARG A 32 -11.789 1.155 6.035 1.00 12.34 H new ATOM 0 HG3 ARG A 32 -13.220 0.197 5.708 1.00 12.34 H new ATOM 0 HD2 ARG A 32 -11.800 -1.405 4.386 1.00 63.42 H new ATOM 0 HD3 ARG A 32 -10.384 -0.470 4.822 1.00 63.42 H new ATOM 0 HE ARG A 32 -11.853 -1.233 7.191 1.00 65.31 H new ATOM 0 HH11 ARG A 32 -9.713 -2.521 4.678 1.00 72.12 H new ATOM 0 HH12 ARG A 32 -9.047 -3.773 5.731 1.00 72.12 H new ATOM 0 HH21 ARG A 32 -10.993 -2.861 8.519 1.00 23.13 H new ATOM 0 HH22 ARG A 32 -9.765 -3.963 7.887 1.00 23.13 H new ATOM 533 N SER A 33 -11.716 2.197 1.095 1.00 74.11 N ATOM 534 CA SER A 33 -11.688 2.031 -0.350 1.00 62.25 C ATOM 535 C SER A 33 -10.254 2.138 -0.860 1.00 34.21 C ATOM 536 O SER A 33 -9.861 1.434 -1.784 1.00 51.31 O ATOM 537 CB SER A 33 -12.582 3.074 -1.027 1.00 74.33 C ATOM 538 OG SER A 33 -13.910 2.993 -0.532 1.00 73.24 O ATOM 0 H SER A 33 -12.269 2.990 1.420 1.00 74.11 H new ATOM 0 HA SER A 33 -12.073 1.042 -0.598 1.00 62.25 H new ATOM 0 HB2 SER A 33 -12.183 4.073 -0.850 1.00 74.33 H new ATOM 0 HB3 SER A 33 -12.580 2.917 -2.106 1.00 74.33 H new ATOM 0 HG SER A 33 -13.935 3.319 0.392 1.00 73.24 H new ATOM 544 N ARG A 34 -9.472 3.009 -0.230 1.00 12.41 N ATOM 545 CA ARG A 34 -8.059 3.135 -0.551 1.00 10.02 C ATOM 546 C ARG A 34 -7.325 1.841 -0.233 1.00 3.12 C ATOM 547 O ARG A 34 -6.686 1.257 -1.094 1.00 1.12 O ATOM 548 CB ARG A 34 -7.427 4.295 0.224 1.00 31.44 C ATOM 549 CG ARG A 34 -7.956 5.651 -0.195 1.00 73.13 C ATOM 550 CD ARG A 34 -7.689 5.899 -1.668 1.00 11.33 C ATOM 551 NE ARG A 34 -8.375 7.089 -2.158 1.00 1.11 N ATOM 552 CZ ARG A 34 -9.092 7.116 -3.281 1.00 53.20 C ATOM 553 NH1 ARG A 34 -9.144 6.043 -4.069 1.00 74.33 N ATOM 554 NH2 ARG A 34 -9.737 8.222 -3.630 1.00 3.42 N ATOM 0 H ARG A 34 -9.795 3.637 0.506 1.00 12.41 H new ATOM 0 HA ARG A 34 -7.972 3.340 -1.618 1.00 10.02 H new ATOM 0 HB2 ARG A 34 -7.610 4.154 1.289 1.00 31.44 H new ATOM 0 HB3 ARG A 34 -6.347 4.273 0.081 1.00 31.44 H new ATOM 0 HG2 ARG A 34 -9.027 5.705 -0.000 1.00 73.13 H new ATOM 0 HG3 ARG A 34 -7.484 6.431 0.402 1.00 73.13 H new ATOM 0 HD2 ARG A 34 -6.616 6.008 -1.828 1.00 11.33 H new ATOM 0 HD3 ARG A 34 -8.011 5.032 -2.245 1.00 11.33 H new ATOM 0 HE ARG A 34 -8.302 7.947 -1.612 1.00 1.11 H new ATOM 0 HH11 ARG A 34 -8.634 5.197 -3.813 1.00 74.33 H new ATOM 0 HH12 ARG A 34 -9.694 6.067 -4.928 1.00 74.33 H new ATOM 0 HH21 ARG A 34 -9.684 9.051 -3.039 1.00 3.42 H new ATOM 0 HH22 ARG A 34 -10.286 8.243 -4.490 1.00 3.42 H new ATOM 568 N ILE A 35 -7.442 1.389 1.005 1.00 51.31 N ATOM 569 CA ILE A 35 -6.754 0.179 1.452 1.00 55.33 C ATOM 570 C ILE A 35 -7.173 -1.046 0.634 1.00 35.35 C ATOM 571 O ILE A 35 -6.328 -1.820 0.184 1.00 0.44 O ATOM 572 CB ILE A 35 -7.025 -0.096 2.949 1.00 2.02 C ATOM 573 CG1 ILE A 35 -6.512 1.068 3.803 1.00 22.23 C ATOM 574 CG2 ILE A 35 -6.373 -1.404 3.383 1.00 25.35 C ATOM 575 CD1 ILE A 35 -6.806 0.915 5.280 1.00 4.24 C ATOM 0 H ILE A 35 -8.008 1.840 1.724 1.00 51.31 H new ATOM 0 HA ILE A 35 -5.688 0.353 1.303 1.00 55.33 H new ATOM 0 HB ILE A 35 -8.101 -0.187 3.094 1.00 2.02 H new ATOM 0 HG12 ILE A 35 -5.435 1.162 3.664 1.00 22.23 H new ATOM 0 HG13 ILE A 35 -6.962 1.995 3.446 1.00 22.23 H new ATOM 0 HG21 ILE A 35 -6.576 -1.579 4.440 1.00 25.35 H new ATOM 0 HG22 ILE A 35 -6.780 -2.226 2.795 1.00 25.35 H new ATOM 0 HG23 ILE A 35 -5.296 -1.344 3.225 1.00 25.35 H new ATOM 0 HD11 ILE A 35 -6.413 1.776 5.820 1.00 4.24 H new ATOM 0 HD12 ILE A 35 -7.884 0.852 5.432 1.00 4.24 H new ATOM 0 HD13 ILE A 35 -6.333 0.006 5.653 1.00 4.24 H new ATOM 587 N GLU A 36 -8.474 -1.200 0.425 1.00 61.32 N ATOM 588 CA GLU A 36 -9.014 -2.405 -0.200 1.00 61.54 C ATOM 589 C GLU A 36 -8.862 -2.401 -1.719 1.00 35.34 C ATOM 590 O GLU A 36 -8.796 -3.461 -2.337 1.00 73.32 O ATOM 591 CB GLU A 36 -10.492 -2.572 0.167 1.00 12.53 C ATOM 592 CG GLU A 36 -10.735 -2.773 1.653 1.00 45.14 C ATOM 593 CD GLU A 36 -9.968 -3.953 2.203 1.00 45.12 C ATOM 594 OE1 GLU A 36 -10.318 -5.105 1.872 1.00 14.54 O ATOM 595 OE2 GLU A 36 -9.003 -3.738 2.959 1.00 11.41 O ATOM 0 H GLU A 36 -9.177 -0.506 0.679 1.00 61.32 H new ATOM 0 HA GLU A 36 -8.435 -3.245 0.183 1.00 61.54 H new ATOM 0 HB2 GLU A 36 -11.041 -1.691 -0.166 1.00 12.53 H new ATOM 0 HB3 GLU A 36 -10.898 -3.425 -0.377 1.00 12.53 H new ATOM 0 HG2 GLU A 36 -10.446 -1.871 2.192 1.00 45.14 H new ATOM 0 HG3 GLU A 36 -11.801 -2.921 1.828 1.00 45.14 H new ATOM 602 N LYS A 37 -8.833 -1.224 -2.321 1.00 23.41 N ATOM 603 CA LYS A 37 -8.791 -1.123 -3.774 1.00 33.05 C ATOM 604 C LYS A 37 -7.443 -0.596 -4.283 1.00 43.22 C ATOM 605 O LYS A 37 -6.862 -1.167 -5.206 1.00 32.41 O ATOM 606 CB LYS A 37 -9.968 -0.260 -4.257 1.00 53.01 C ATOM 607 CG LYS A 37 -9.868 0.210 -5.696 1.00 72.04 C ATOM 608 CD LYS A 37 -9.324 1.625 -5.761 1.00 2.12 C ATOM 609 CE LYS A 37 -9.113 2.077 -7.186 1.00 54.10 C ATOM 610 NZ LYS A 37 -8.632 3.478 -7.252 1.00 31.12 N ATOM 0 H LYS A 37 -8.838 -0.329 -1.832 1.00 23.41 H new ATOM 0 HA LYS A 37 -8.892 -2.124 -4.195 1.00 33.05 H new ATOM 0 HB2 LYS A 37 -10.890 -0.830 -4.140 1.00 53.01 H new ATOM 0 HB3 LYS A 37 -10.049 0.613 -3.610 1.00 53.01 H new ATOM 0 HG2 LYS A 37 -9.219 -0.461 -6.259 1.00 72.04 H new ATOM 0 HG3 LYS A 37 -10.851 0.171 -6.166 1.00 72.04 H new ATOM 0 HD2 LYS A 37 -10.016 2.304 -5.262 1.00 2.12 H new ATOM 0 HD3 LYS A 37 -8.380 1.677 -5.219 1.00 2.12 H new ATOM 0 HE2 LYS A 37 -8.391 1.421 -7.673 1.00 54.10 H new ATOM 0 HE3 LYS A 37 -10.048 1.987 -7.738 1.00 54.10 H new ATOM 0 HZ1 LYS A 37 -8.708 3.825 -8.229 1.00 31.12 H new ATOM 0 HZ2 LYS A 37 -9.211 4.074 -6.627 1.00 31.12 H new ATOM 0 HZ3 LYS A 37 -7.639 3.519 -6.946 1.00 31.12 H new ATOM 624 N ASP A 38 -6.953 0.488 -3.688 1.00 41.10 N ATOM 625 CA ASP A 38 -5.712 1.122 -4.141 1.00 4.03 C ATOM 626 C ASP A 38 -4.480 0.437 -3.561 1.00 51.11 C ATOM 627 O ASP A 38 -3.618 -0.033 -4.301 1.00 23.24 O ATOM 628 CB ASP A 38 -5.688 2.606 -3.758 1.00 22.34 C ATOM 629 CG ASP A 38 -6.772 3.405 -4.442 1.00 42.42 C ATOM 630 OD1 ASP A 38 -6.623 3.709 -5.641 1.00 62.24 O ATOM 631 OD2 ASP A 38 -7.782 3.735 -3.784 1.00 5.13 O ATOM 0 H ASP A 38 -7.394 0.948 -2.891 1.00 41.10 H new ATOM 0 HA ASP A 38 -5.685 1.023 -5.226 1.00 4.03 H new ATOM 0 HB2 ASP A 38 -5.801 2.700 -2.678 1.00 22.34 H new ATOM 0 HB3 ASP A 38 -4.716 3.027 -4.015 1.00 22.34 H new ATOM 636 N ILE A 39 -4.402 0.395 -2.233 1.00 1.33 N ATOM 637 CA ILE A 39 -3.256 -0.190 -1.538 1.00 51.15 C ATOM 638 C ILE A 39 -3.113 -1.673 -1.865 1.00 24.10 C ATOM 639 O ILE A 39 -2.025 -2.146 -2.193 1.00 61.11 O ATOM 640 CB ILE A 39 -3.348 0.002 0.005 1.00 31.12 C ATOM 641 CG1 ILE A 39 -2.979 1.436 0.419 1.00 41.22 C ATOM 642 CG2 ILE A 39 -2.464 -0.994 0.745 1.00 12.20 C ATOM 643 CD1 ILE A 39 -3.966 2.494 -0.020 1.00 13.41 C ATOM 0 H ILE A 39 -5.124 0.762 -1.612 1.00 1.33 H new ATOM 0 HA ILE A 39 -2.372 0.340 -1.893 1.00 51.15 H new ATOM 0 HB ILE A 39 -4.386 -0.182 0.283 1.00 31.12 H new ATOM 0 HG12 ILE A 39 -2.886 1.474 1.504 1.00 41.22 H new ATOM 0 HG13 ILE A 39 -2.000 1.678 0.006 1.00 41.22 H new ATOM 0 HG21 ILE A 39 -2.553 -0.831 1.819 1.00 12.20 H new ATOM 0 HG22 ILE A 39 -2.779 -2.009 0.504 1.00 12.20 H new ATOM 0 HG23 ILE A 39 -1.426 -0.855 0.442 1.00 12.20 H new ATOM 0 HD11 ILE A 39 -3.624 3.473 0.316 1.00 13.41 H new ATOM 0 HD12 ILE A 39 -4.044 2.490 -1.107 1.00 13.41 H new ATOM 0 HD13 ILE A 39 -4.943 2.283 0.414 1.00 13.41 H new ATOM 655 N LYS A 40 -4.213 -2.402 -1.767 1.00 43.55 N ATOM 656 CA LYS A 40 -4.229 -3.810 -2.071 1.00 22.02 C ATOM 657 C LYS A 40 -5.046 -4.071 -3.345 1.00 33.33 C ATOM 658 O LYS A 40 -6.231 -4.389 -3.283 1.00 33.24 O ATOM 659 CB LYS A 40 -4.821 -4.525 -0.860 1.00 43.23 C ATOM 660 CG LYS A 40 -5.135 -5.986 -1.055 1.00 31.34 C ATOM 661 CD LYS A 40 -5.898 -6.515 0.139 1.00 24.23 C ATOM 662 CE LYS A 40 -7.134 -5.675 0.436 1.00 34.41 C ATOM 663 NZ LYS A 40 -7.822 -6.116 1.676 1.00 24.53 N ATOM 0 H LYS A 40 -5.116 -2.028 -1.474 1.00 43.55 H new ATOM 0 HA LYS A 40 -3.224 -4.185 -2.265 1.00 22.02 H new ATOM 0 HB2 LYS A 40 -4.124 -4.430 -0.028 1.00 43.23 H new ATOM 0 HB3 LYS A 40 -5.737 -4.011 -0.569 1.00 43.23 H new ATOM 0 HG2 LYS A 40 -5.723 -6.122 -1.962 1.00 31.34 H new ATOM 0 HG3 LYS A 40 -4.212 -6.550 -1.186 1.00 31.34 H new ATOM 0 HD2 LYS A 40 -6.196 -7.547 -0.048 1.00 24.23 H new ATOM 0 HD3 LYS A 40 -5.246 -6.524 1.012 1.00 24.23 H new ATOM 0 HE2 LYS A 40 -6.846 -4.628 0.534 1.00 34.41 H new ATOM 0 HE3 LYS A 40 -7.826 -5.738 -0.404 1.00 34.41 H new ATOM 0 HZ1 LYS A 40 -8.851 -6.098 1.527 1.00 24.53 H new ATOM 0 HZ2 LYS A 40 -7.524 -7.084 1.913 1.00 24.53 H new ATOM 0 HZ3 LYS A 40 -7.574 -5.476 2.457 1.00 24.53 H new ATOM 677 N PRO A 41 -4.428 -3.896 -4.527 1.00 30.13 N ATOM 678 CA PRO A 41 -5.117 -4.066 -5.797 1.00 43.24 C ATOM 679 C PRO A 41 -5.046 -5.496 -6.333 1.00 73.32 C ATOM 680 O PRO A 41 -6.074 -6.118 -6.595 1.00 22.43 O ATOM 681 CB PRO A 41 -4.369 -3.101 -6.721 1.00 4.24 C ATOM 682 CG PRO A 41 -3.007 -2.912 -6.117 1.00 72.13 C ATOM 683 CD PRO A 41 -3.032 -3.490 -4.721 1.00 11.22 C ATOM 0 HA PRO A 41 -6.185 -3.867 -5.711 1.00 43.24 H new ATOM 0 HB2 PRO A 41 -4.294 -3.507 -7.730 1.00 4.24 H new ATOM 0 HB3 PRO A 41 -4.896 -2.150 -6.799 1.00 4.24 H new ATOM 0 HG2 PRO A 41 -2.249 -3.410 -6.722 1.00 72.13 H new ATOM 0 HG3 PRO A 41 -2.747 -1.854 -6.087 1.00 72.13 H new ATOM 0 HD2 PRO A 41 -2.354 -4.338 -4.629 1.00 11.22 H new ATOM 0 HD3 PRO A 41 -2.724 -2.753 -3.979 1.00 11.22 H new ATOM 691 N ALA A 42 -3.832 -6.016 -6.489 1.00 24.55 N ATOM 692 CA ALA A 42 -3.644 -7.352 -7.042 1.00 30.42 C ATOM 693 C ALA A 42 -2.637 -8.161 -6.232 1.00 62.12 C ATOM 694 O ALA A 42 -2.698 -9.385 -6.189 1.00 15.32 O ATOM 695 CB ALA A 42 -3.205 -7.265 -8.495 1.00 62.14 C ATOM 0 H ALA A 42 -2.968 -5.534 -6.241 1.00 24.55 H new ATOM 0 HA ALA A 42 -4.602 -7.869 -6.989 1.00 30.42 H new ATOM 0 HB1 ALA A 42 -3.069 -8.270 -8.895 1.00 62.14 H new ATOM 0 HB2 ALA A 42 -3.967 -6.744 -9.075 1.00 62.14 H new ATOM 0 HB3 ALA A 42 -2.264 -6.718 -8.559 1.00 62.14 H new ATOM 701 N ILE A 43 -1.723 -7.467 -5.577 1.00 51.02 N ATOM 702 CA ILE A 43 -0.702 -8.114 -4.760 1.00 23.42 C ATOM 703 C ILE A 43 -1.221 -8.391 -3.353 1.00 24.11 C ATOM 704 O ILE A 43 -0.448 -8.495 -2.400 1.00 23.14 O ATOM 705 CB ILE A 43 0.562 -7.241 -4.676 1.00 3.30 C ATOM 706 CG1 ILE A 43 0.170 -5.774 -4.477 1.00 73.20 C ATOM 707 CG2 ILE A 43 1.404 -7.413 -5.932 1.00 3.33 C ATOM 708 CD1 ILE A 43 1.325 -4.884 -4.076 1.00 41.54 C ATOM 0 H ILE A 43 -1.664 -6.449 -5.593 1.00 51.02 H new ATOM 0 HA ILE A 43 -0.452 -9.062 -5.237 1.00 23.42 H new ATOM 0 HB ILE A 43 1.160 -7.557 -3.821 1.00 3.30 H new ATOM 0 HG12 ILE A 43 -0.265 -5.395 -5.402 1.00 73.20 H new ATOM 0 HG13 ILE A 43 -0.605 -5.715 -3.713 1.00 73.20 H new ATOM 0 HG21 ILE A 43 2.296 -6.790 -5.860 1.00 3.33 H new ATOM 0 HG22 ILE A 43 1.698 -8.458 -6.033 1.00 3.33 H new ATOM 0 HG23 ILE A 43 0.822 -7.115 -6.804 1.00 3.33 H new ATOM 0 HD11 ILE A 43 0.970 -3.861 -3.954 1.00 41.54 H new ATOM 0 HD12 ILE A 43 1.747 -5.237 -3.135 1.00 41.54 H new ATOM 0 HD13 ILE A 43 2.092 -4.912 -4.850 1.00 41.54 H new ATOM 720 N GLY A 44 -2.534 -8.534 -3.233 1.00 54.24 N ATOM 721 CA GLY A 44 -3.145 -8.751 -1.942 1.00 53.52 C ATOM 722 C GLY A 44 -2.784 -10.095 -1.354 1.00 61.14 C ATOM 723 O GLY A 44 -2.908 -11.123 -2.018 1.00 22.10 O ATOM 0 H GLY A 44 -3.189 -8.503 -4.014 1.00 54.24 H new ATOM 0 HA2 GLY A 44 -2.833 -7.962 -1.258 1.00 53.52 H new ATOM 0 HA3 GLY A 44 -4.228 -8.679 -2.039 1.00 53.52 H new ATOM 727 N SER A 45 -2.305 -10.070 -0.116 1.00 70.45 N ATOM 728 CA SER A 45 -1.975 -11.282 0.627 1.00 31.41 C ATOM 729 C SER A 45 -0.746 -11.984 0.047 1.00 11.12 C ATOM 730 O SER A 45 -0.466 -13.135 0.380 1.00 33.25 O ATOM 731 CB SER A 45 -3.178 -12.232 0.665 1.00 52.53 C ATOM 732 OG SER A 45 -4.310 -11.584 1.222 1.00 11.21 O ATOM 0 H SER A 45 -2.134 -9.208 0.402 1.00 70.45 H new ATOM 0 HA SER A 45 -1.730 -10.989 1.648 1.00 31.41 H new ATOM 0 HB2 SER A 45 -3.409 -12.575 -0.343 1.00 52.53 H new ATOM 0 HB3 SER A 45 -2.932 -13.115 1.254 1.00 52.53 H new ATOM 0 HG SER A 45 -5.068 -12.205 1.237 1.00 11.21 H new ATOM 738 N LEU A 46 0.005 -11.279 -0.788 1.00 51.42 N ATOM 739 CA LEU A 46 1.234 -11.824 -1.350 1.00 70.41 C ATOM 740 C LEU A 46 2.409 -11.525 -0.418 1.00 1.11 C ATOM 741 O LEU A 46 3.356 -10.835 -0.797 1.00 71.30 O ATOM 742 CB LEU A 46 1.487 -11.247 -2.750 1.00 41.23 C ATOM 743 CG LEU A 46 2.664 -11.867 -3.511 1.00 25.22 C ATOM 744 CD1 LEU A 46 2.421 -13.348 -3.766 1.00 32.11 C ATOM 745 CD2 LEU A 46 2.901 -11.133 -4.821 1.00 0.54 C ATOM 0 H LEU A 46 -0.214 -10.330 -1.091 1.00 51.42 H new ATOM 0 HA LEU A 46 1.131 -12.905 -1.445 1.00 70.41 H new ATOM 0 HB2 LEU A 46 0.583 -11.374 -3.346 1.00 41.23 H new ATOM 0 HB3 LEU A 46 1.660 -10.175 -2.657 1.00 41.23 H new ATOM 0 HG LEU A 46 3.557 -11.768 -2.894 1.00 25.22 H new ATOM 0 HD11 LEU A 46 3.269 -13.768 -4.307 1.00 32.11 H new ATOM 0 HD12 LEU A 46 2.305 -13.867 -2.814 1.00 32.11 H new ATOM 0 HD13 LEU A 46 1.515 -13.471 -4.359 1.00 32.11 H new ATOM 0 HD21 LEU A 46 3.741 -11.588 -5.346 1.00 0.54 H new ATOM 0 HD22 LEU A 46 2.007 -11.197 -5.441 1.00 0.54 H new ATOM 0 HD23 LEU A 46 3.126 -10.086 -4.616 1.00 0.54 H new ATOM 757 N LYS A 47 2.318 -12.050 0.810 1.00 24.12 N ATOM 758 CA LYS A 47 3.332 -11.853 1.851 1.00 45.23 C ATOM 759 C LYS A 47 3.655 -10.383 2.128 1.00 21.15 C ATOM 760 O LYS A 47 3.220 -9.478 1.418 1.00 63.43 O ATOM 761 CB LYS A 47 4.612 -12.594 1.479 1.00 31.22 C ATOM 762 CG LYS A 47 4.560 -14.075 1.779 1.00 11.02 C ATOM 763 CD LYS A 47 4.504 -14.324 3.271 1.00 41.34 C ATOM 764 CE LYS A 47 4.808 -15.767 3.595 1.00 52.32 C ATOM 765 NZ LYS A 47 5.343 -15.909 4.974 1.00 53.55 N ATOM 0 H LYS A 47 1.533 -12.627 1.110 1.00 24.12 H new ATOM 0 HA LYS A 47 2.906 -12.257 2.769 1.00 45.23 H new ATOM 0 HB2 LYS A 47 4.808 -12.453 0.416 1.00 31.22 H new ATOM 0 HB3 LYS A 47 5.449 -12.151 2.019 1.00 31.22 H new ATOM 0 HG2 LYS A 47 3.686 -14.516 1.300 1.00 11.02 H new ATOM 0 HG3 LYS A 47 5.437 -14.566 1.357 1.00 11.02 H new ATOM 0 HD2 LYS A 47 5.219 -13.676 3.778 1.00 41.34 H new ATOM 0 HD3 LYS A 47 3.515 -14.064 3.649 1.00 41.34 H new ATOM 0 HE2 LYS A 47 3.902 -16.364 3.491 1.00 52.32 H new ATOM 0 HE3 LYS A 47 5.532 -16.158 2.880 1.00 52.32 H new ATOM 0 HZ1 LYS A 47 5.684 -16.881 5.116 1.00 53.55 H new ATOM 0 HZ2 LYS A 47 6.130 -15.243 5.112 1.00 53.55 H new ATOM 0 HZ3 LYS A 47 4.590 -15.703 5.661 1.00 53.55 H new ATOM 779 N VAL A 48 4.356 -10.154 3.227 1.00 1.13 N ATOM 780 CA VAL A 48 5.000 -8.872 3.472 1.00 1.11 C ATOM 781 C VAL A 48 6.368 -8.881 2.795 1.00 31.25 C ATOM 782 O VAL A 48 6.884 -7.855 2.356 1.00 34.23 O ATOM 783 CB VAL A 48 5.166 -8.588 4.985 1.00 1.11 C ATOM 784 CG1 VAL A 48 5.740 -7.198 5.221 1.00 14.40 C ATOM 785 CG2 VAL A 48 3.838 -8.740 5.708 1.00 23.24 C ATOM 0 H VAL A 48 4.494 -10.842 3.967 1.00 1.13 H new ATOM 0 HA VAL A 48 4.370 -8.082 3.062 1.00 1.11 H new ATOM 0 HB VAL A 48 5.867 -9.319 5.387 1.00 1.11 H new ATOM 0 HG11 VAL A 48 5.846 -7.025 6.292 1.00 14.40 H new ATOM 0 HG12 VAL A 48 6.716 -7.122 4.743 1.00 14.40 H new ATOM 0 HG13 VAL A 48 5.069 -6.451 4.798 1.00 14.40 H new ATOM 0 HG21 VAL A 48 3.976 -8.536 6.770 1.00 23.24 H new ATOM 0 HG22 VAL A 48 3.116 -8.036 5.294 1.00 23.24 H new ATOM 0 HG23 VAL A 48 3.468 -9.757 5.579 1.00 23.24 H new ATOM 795 N GLU A 49 6.936 -10.076 2.714 1.00 51.24 N ATOM 796 CA GLU A 49 8.279 -10.272 2.191 1.00 21.03 C ATOM 797 C GLU A 49 8.290 -10.339 0.664 1.00 62.51 C ATOM 798 O GLU A 49 9.302 -10.028 0.030 1.00 43.32 O ATOM 799 CB GLU A 49 8.885 -11.568 2.754 1.00 52.54 C ATOM 800 CG GLU A 49 8.591 -11.816 4.230 1.00 33.42 C ATOM 801 CD GLU A 49 7.295 -12.580 4.454 1.00 35.43 C ATOM 802 OE1 GLU A 49 6.215 -11.956 4.419 1.00 21.51 O ATOM 803 OE2 GLU A 49 7.357 -13.814 4.664 1.00 42.53 O ATOM 0 H GLU A 49 6.477 -10.938 3.010 1.00 51.24 H new ATOM 0 HA GLU A 49 8.875 -9.414 2.503 1.00 21.03 H new ATOM 0 HB2 GLU A 49 8.508 -12.411 2.175 1.00 52.54 H new ATOM 0 HB3 GLU A 49 9.965 -11.541 2.612 1.00 52.54 H new ATOM 0 HG2 GLU A 49 9.417 -12.374 4.671 1.00 33.42 H new ATOM 0 HG3 GLU A 49 8.538 -10.860 4.751 1.00 33.42 H new ATOM 810 N ASP A 50 7.170 -10.747 0.077 1.00 65.20 N ATOM 811 CA ASP A 50 7.099 -10.957 -1.370 1.00 24.24 C ATOM 812 C ASP A 50 6.812 -9.668 -2.122 1.00 4.44 C ATOM 813 O ASP A 50 7.088 -9.569 -3.317 1.00 52.13 O ATOM 814 CB ASP A 50 6.041 -12.004 -1.725 1.00 4.22 C ATOM 815 CG ASP A 50 6.596 -13.411 -1.743 1.00 62.13 C ATOM 816 OD1 ASP A 50 7.638 -13.640 -2.401 1.00 55.42 O ATOM 817 OD2 ASP A 50 5.993 -14.300 -1.111 1.00 74.14 O ATOM 0 H ASP A 50 6.301 -10.939 0.576 1.00 65.20 H new ATOM 0 HA ASP A 50 8.080 -11.319 -1.678 1.00 24.24 H new ATOM 0 HB2 ASP A 50 5.225 -11.949 -1.005 1.00 4.22 H new ATOM 0 HB3 ASP A 50 5.619 -11.772 -2.703 1.00 4.22 H new ATOM 822 N VAL A 51 6.259 -8.678 -1.440 1.00 11.15 N ATOM 823 CA VAL A 51 5.967 -7.409 -2.083 1.00 35.53 C ATOM 824 C VAL A 51 7.258 -6.616 -2.318 1.00 35.50 C ATOM 825 O VAL A 51 7.755 -5.904 -1.446 1.00 60.21 O ATOM 826 CB VAL A 51 4.921 -6.580 -1.294 1.00 75.22 C ATOM 827 CG1 VAL A 51 5.338 -6.379 0.156 1.00 40.25 C ATOM 828 CG2 VAL A 51 4.665 -5.242 -1.974 1.00 11.12 C ATOM 0 H VAL A 51 6.006 -8.727 -0.453 1.00 11.15 H new ATOM 0 HA VAL A 51 5.519 -7.625 -3.053 1.00 35.53 H new ATOM 0 HB VAL A 51 3.991 -7.148 -1.291 1.00 75.22 H new ATOM 0 HG11 VAL A 51 4.579 -5.794 0.675 1.00 40.25 H new ATOM 0 HG12 VAL A 51 5.443 -7.349 0.642 1.00 40.25 H new ATOM 0 HG13 VAL A 51 6.291 -5.850 0.191 1.00 40.25 H new ATOM 0 HG21 VAL A 51 3.928 -4.678 -1.402 1.00 11.12 H new ATOM 0 HG22 VAL A 51 5.595 -4.676 -2.025 1.00 11.12 H new ATOM 0 HG23 VAL A 51 4.289 -5.413 -2.983 1.00 11.12 H new ATOM 838 N LYS A 52 7.831 -6.808 -3.496 1.00 22.21 N ATOM 839 CA LYS A 52 9.047 -6.110 -3.882 1.00 23.13 C ATOM 840 C LYS A 52 8.688 -4.863 -4.692 1.00 70.03 C ATOM 841 O LYS A 52 7.590 -4.790 -5.249 1.00 74.11 O ATOM 842 CB LYS A 52 9.956 -7.052 -4.687 1.00 62.42 C ATOM 843 CG LYS A 52 10.028 -8.455 -4.097 1.00 64.03 C ATOM 844 CD LYS A 52 11.169 -9.280 -4.677 1.00 64.10 C ATOM 845 CE LYS A 52 12.529 -8.765 -4.227 1.00 52.12 C ATOM 846 NZ LYS A 52 13.603 -9.766 -4.469 1.00 15.42 N ATOM 0 H LYS A 52 7.470 -7.446 -4.205 1.00 22.21 H new ATOM 0 HA LYS A 52 9.589 -5.796 -2.990 1.00 23.13 H new ATOM 0 HB2 LYS A 52 9.591 -7.113 -5.712 1.00 62.42 H new ATOM 0 HB3 LYS A 52 10.960 -6.630 -4.731 1.00 62.42 H new ATOM 0 HG2 LYS A 52 10.150 -8.384 -3.016 1.00 64.03 H new ATOM 0 HG3 LYS A 52 9.084 -8.970 -4.279 1.00 64.03 H new ATOM 0 HD2 LYS A 52 11.056 -10.320 -4.372 1.00 64.10 H new ATOM 0 HD3 LYS A 52 11.115 -9.259 -5.765 1.00 64.10 H new ATOM 0 HE2 LYS A 52 12.764 -7.843 -4.759 1.00 52.12 H new ATOM 0 HE3 LYS A 52 12.492 -8.520 -3.166 1.00 52.12 H new ATOM 0 HZ1 LYS A 52 14.515 -9.381 -4.150 1.00 15.42 H new ATOM 0 HZ2 LYS A 52 13.391 -10.637 -3.941 1.00 15.42 H new ATOM 0 HZ3 LYS A 52 13.654 -9.981 -5.485 1.00 15.42 H new ATOM 860 N PRO A 53 9.597 -3.870 -4.766 1.00 42.12 N ATOM 861 CA PRO A 53 9.333 -2.588 -5.446 1.00 52.13 C ATOM 862 C PRO A 53 8.889 -2.762 -6.897 1.00 63.32 C ATOM 863 O PRO A 53 8.192 -1.909 -7.450 1.00 61.22 O ATOM 864 CB PRO A 53 10.679 -1.858 -5.379 1.00 72.13 C ATOM 865 CG PRO A 53 11.380 -2.466 -4.216 1.00 31.55 C ATOM 866 CD PRO A 53 10.954 -3.906 -4.185 1.00 30.23 C ATOM 0 HA PRO A 53 8.515 -2.047 -4.971 1.00 52.13 H new ATOM 0 HB2 PRO A 53 11.248 -1.992 -6.299 1.00 72.13 H new ATOM 0 HB3 PRO A 53 10.542 -0.785 -5.242 1.00 72.13 H new ATOM 0 HG2 PRO A 53 12.461 -2.381 -4.324 1.00 31.55 H new ATOM 0 HG3 PRO A 53 11.111 -1.959 -3.289 1.00 31.55 H new ATOM 0 HD2 PRO A 53 11.625 -4.537 -4.768 1.00 30.23 H new ATOM 0 HD3 PRO A 53 10.947 -4.302 -3.169 1.00 30.23 H new ATOM 874 N ARG A 54 9.289 -3.872 -7.504 1.00 31.13 N ATOM 875 CA ARG A 54 8.899 -4.190 -8.873 1.00 60.14 C ATOM 876 C ARG A 54 7.380 -4.288 -8.998 1.00 52.40 C ATOM 877 O ARG A 54 6.788 -3.773 -9.946 1.00 54.32 O ATOM 878 CB ARG A 54 9.531 -5.509 -9.312 1.00 3.10 C ATOM 879 CG ARG A 54 11.046 -5.518 -9.241 1.00 45.34 C ATOM 880 CD ARG A 54 11.600 -6.861 -9.673 1.00 65.11 C ATOM 881 NE ARG A 54 13.061 -6.899 -9.636 1.00 52.13 N ATOM 882 CZ ARG A 54 13.818 -7.297 -10.658 1.00 41.42 C ATOM 883 NH1 ARG A 54 13.253 -7.663 -11.803 1.00 50.41 N ATOM 884 NH2 ARG A 54 15.140 -7.313 -10.545 1.00 43.00 N ATOM 0 H ARG A 54 9.888 -4.572 -7.066 1.00 31.13 H new ATOM 0 HA ARG A 54 9.254 -3.386 -9.518 1.00 60.14 H new ATOM 0 HB2 ARG A 54 9.143 -6.313 -8.686 1.00 3.10 H new ATOM 0 HB3 ARG A 54 9.224 -5.725 -10.335 1.00 3.10 H new ATOM 0 HG2 ARG A 54 11.449 -4.732 -9.880 1.00 45.34 H new ATOM 0 HG3 ARG A 54 11.368 -5.298 -8.223 1.00 45.34 H new ATOM 0 HD2 ARG A 54 11.202 -7.641 -9.024 1.00 65.11 H new ATOM 0 HD3 ARG A 54 11.259 -7.084 -10.684 1.00 65.11 H new ATOM 0 HE ARG A 54 13.528 -6.604 -8.778 1.00 52.13 H new ATOM 0 HH11 ARG A 54 12.238 -7.640 -11.901 1.00 50.41 H new ATOM 0 HH12 ARG A 54 13.834 -7.967 -12.584 1.00 50.41 H new ATOM 0 HH21 ARG A 54 15.581 -7.020 -9.673 1.00 43.00 H new ATOM 0 HH22 ARG A 54 15.715 -7.618 -11.330 1.00 43.00 H new ATOM 898 N HIS A 55 6.756 -4.936 -8.016 1.00 33.44 N ATOM 899 CA HIS A 55 5.307 -5.151 -8.031 1.00 24.41 C ATOM 900 C HIS A 55 4.577 -3.821 -7.964 1.00 2.11 C ATOM 901 O HIS A 55 3.547 -3.625 -8.607 1.00 34.24 O ATOM 902 CB HIS A 55 4.853 -6.011 -6.843 1.00 25.11 C ATOM 903 CG HIS A 55 5.535 -7.340 -6.710 1.00 4.14 C ATOM 904 ND1 HIS A 55 6.370 -7.878 -7.668 1.00 34.44 N ATOM 905 CD2 HIS A 55 5.517 -8.233 -5.694 1.00 42.44 C ATOM 906 CE1 HIS A 55 6.839 -9.035 -7.240 1.00 11.21 C ATOM 907 NE2 HIS A 55 6.336 -9.271 -6.048 1.00 61.31 N ATOM 0 H HIS A 55 7.230 -5.322 -7.199 1.00 33.44 H new ATOM 0 HA HIS A 55 5.068 -5.669 -8.960 1.00 24.41 H new ATOM 0 HB2 HIS A 55 5.015 -5.446 -5.925 1.00 25.11 H new ATOM 0 HB3 HIS A 55 3.780 -6.180 -6.928 1.00 25.11 H new ATOM 0 HD2 HIS A 55 4.959 -8.143 -4.773 1.00 42.44 H new ATOM 0 HE1 HIS A 55 7.520 -9.678 -7.777 1.00 11.21 H new ATOM 0 HE2 HIS A 55 6.526 -10.096 -5.478 1.00 61.31 H new ATOM 916 N ILE A 56 5.137 -2.911 -7.181 1.00 53.22 N ATOM 917 CA ILE A 56 4.519 -1.618 -6.923 1.00 43.03 C ATOM 918 C ILE A 56 4.337 -0.824 -8.215 1.00 13.23 C ATOM 919 O ILE A 56 3.294 -0.214 -8.435 1.00 22.22 O ATOM 920 CB ILE A 56 5.356 -0.790 -5.923 1.00 0.11 C ATOM 921 CG1 ILE A 56 5.601 -1.584 -4.634 1.00 75.31 C ATOM 922 CG2 ILE A 56 4.666 0.527 -5.609 1.00 62.45 C ATOM 923 CD1 ILE A 56 4.335 -1.942 -3.886 1.00 33.11 C ATOM 0 H ILE A 56 6.030 -3.047 -6.708 1.00 53.22 H new ATOM 0 HA ILE A 56 3.539 -1.812 -6.488 1.00 43.03 H new ATOM 0 HB ILE A 56 6.320 -0.574 -6.384 1.00 0.11 H new ATOM 0 HG12 ILE A 56 6.138 -2.500 -4.879 1.00 75.31 H new ATOM 0 HG13 ILE A 56 6.247 -1.002 -3.977 1.00 75.31 H new ATOM 0 HG21 ILE A 56 5.271 1.096 -4.903 1.00 62.45 H new ATOM 0 HG22 ILE A 56 4.544 1.102 -6.527 1.00 62.45 H new ATOM 0 HG23 ILE A 56 3.687 0.330 -5.171 1.00 62.45 H new ATOM 0 HD11 ILE A 56 4.590 -2.502 -2.986 1.00 33.11 H new ATOM 0 HD12 ILE A 56 3.806 -1.030 -3.608 1.00 33.11 H new ATOM 0 HD13 ILE A 56 3.695 -2.552 -4.524 1.00 33.11 H new ATOM 935 N ASP A 57 5.342 -0.859 -9.081 1.00 72.24 N ATOM 936 CA ASP A 57 5.299 -0.096 -10.324 1.00 2.10 C ATOM 937 C ASP A 57 4.169 -0.590 -11.220 1.00 61.33 C ATOM 938 O ASP A 57 3.457 0.203 -11.837 1.00 30.03 O ATOM 939 CB ASP A 57 6.634 -0.197 -11.068 1.00 25.44 C ATOM 940 CG ASP A 57 6.673 0.671 -12.314 1.00 53.33 C ATOM 941 OD1 ASP A 57 6.267 0.193 -13.399 1.00 4.20 O ATOM 942 OD2 ASP A 57 7.117 1.836 -12.219 1.00 24.44 O ATOM 0 H ASP A 57 6.193 -1.405 -8.948 1.00 72.24 H new ATOM 0 HA ASP A 57 5.116 0.948 -10.070 1.00 2.10 H new ATOM 0 HB2 ASP A 57 7.442 0.097 -10.399 1.00 25.44 H new ATOM 0 HB3 ASP A 57 6.813 -1.235 -11.347 1.00 25.44 H new ATOM 947 N ASP A 58 3.989 -1.905 -11.261 1.00 71.11 N ATOM 948 CA ASP A 58 2.978 -2.506 -12.123 1.00 75.20 C ATOM 949 C ASP A 58 1.576 -2.262 -11.572 1.00 21.20 C ATOM 950 O ASP A 58 0.656 -1.940 -12.324 1.00 54.54 O ATOM 951 CB ASP A 58 3.220 -4.009 -12.292 1.00 35.35 C ATOM 952 CG ASP A 58 2.278 -4.636 -13.304 1.00 52.12 C ATOM 953 OD1 ASP A 58 2.460 -4.401 -14.519 1.00 1.44 O ATOM 954 OD2 ASP A 58 1.347 -5.363 -12.895 1.00 13.14 O ATOM 0 H ASP A 58 4.528 -2.573 -10.710 1.00 71.11 H new ATOM 0 HA ASP A 58 3.056 -2.031 -13.101 1.00 75.20 H new ATOM 0 HB2 ASP A 58 4.250 -4.175 -12.607 1.00 35.35 H new ATOM 0 HB3 ASP A 58 3.097 -4.505 -11.329 1.00 35.35 H new ATOM 959 N VAL A 59 1.412 -2.398 -10.257 1.00 71.35 N ATOM 960 CA VAL A 59 0.105 -2.198 -9.639 1.00 54.44 C ATOM 961 C VAL A 59 -0.305 -0.726 -9.676 1.00 10.44 C ATOM 962 O VAL A 59 -1.477 -0.412 -9.881 1.00 70.14 O ATOM 963 CB VAL A 59 0.037 -2.735 -8.188 1.00 74.32 C ATOM 964 CG1 VAL A 59 0.281 -4.235 -8.165 1.00 34.10 C ATOM 965 CG2 VAL A 59 1.020 -2.021 -7.276 1.00 63.13 C ATOM 0 H VAL A 59 2.159 -2.643 -9.607 1.00 71.35 H new ATOM 0 HA VAL A 59 -0.602 -2.779 -10.232 1.00 54.44 H new ATOM 0 HB VAL A 59 -0.965 -2.535 -7.810 1.00 74.32 H new ATOM 0 HG11 VAL A 59 0.230 -4.596 -7.138 1.00 34.10 H new ATOM 0 HG12 VAL A 59 -0.479 -4.736 -8.764 1.00 34.10 H new ATOM 0 HG13 VAL A 59 1.267 -4.450 -8.576 1.00 34.10 H new ATOM 0 HG21 VAL A 59 0.941 -2.427 -6.267 1.00 63.13 H new ATOM 0 HG22 VAL A 59 2.034 -2.168 -7.648 1.00 63.13 H new ATOM 0 HG23 VAL A 59 0.791 -0.955 -7.257 1.00 63.13 H new ATOM 975 N LEU A 60 0.661 0.177 -9.513 1.00 14.44 N ATOM 976 CA LEU A 60 0.385 1.606 -9.620 1.00 30.31 C ATOM 977 C LEU A 60 -0.011 1.954 -11.044 1.00 34.15 C ATOM 978 O LEU A 60 -0.928 2.733 -11.268 1.00 51.42 O ATOM 979 CB LEU A 60 1.598 2.443 -9.211 1.00 13.14 C ATOM 980 CG LEU A 60 1.999 2.363 -7.737 1.00 4.32 C ATOM 981 CD1 LEU A 60 3.178 3.284 -7.467 1.00 42.13 C ATOM 982 CD2 LEU A 60 0.823 2.711 -6.835 1.00 54.11 C ATOM 0 H LEU A 60 1.633 -0.054 -9.308 1.00 14.44 H new ATOM 0 HA LEU A 60 -0.436 1.837 -8.941 1.00 30.31 H new ATOM 0 HB2 LEU A 60 2.450 2.133 -9.816 1.00 13.14 H new ATOM 0 HB3 LEU A 60 1.395 3.485 -9.456 1.00 13.14 H new ATOM 0 HG LEU A 60 2.298 1.339 -7.514 1.00 4.32 H new ATOM 0 HD11 LEU A 60 3.456 3.220 -6.415 1.00 42.13 H new ATOM 0 HD12 LEU A 60 4.024 2.983 -8.085 1.00 42.13 H new ATOM 0 HD13 LEU A 60 2.900 4.310 -7.707 1.00 42.13 H new ATOM 0 HD21 LEU A 60 1.133 2.647 -5.792 1.00 54.11 H new ATOM 0 HD22 LEU A 60 0.486 3.725 -7.052 1.00 54.11 H new ATOM 0 HD23 LEU A 60 0.007 2.011 -7.015 1.00 54.11 H new ATOM 994 N LYS A 61 0.679 1.352 -12.005 1.00 42.10 N ATOM 995 CA LYS A 61 0.380 1.555 -13.409 1.00 54.31 C ATOM 996 C LYS A 61 -1.071 1.170 -13.695 1.00 51.20 C ATOM 997 O LYS A 61 -1.766 1.834 -14.467 1.00 21.11 O ATOM 998 CB LYS A 61 1.379 0.734 -14.238 1.00 43.12 C ATOM 999 CG LYS A 61 1.094 0.661 -15.727 1.00 2.12 C ATOM 1000 CD LYS A 61 0.151 -0.484 -16.060 1.00 42.12 C ATOM 1001 CE LYS A 61 0.636 -1.813 -15.491 1.00 32.10 C ATOM 1002 NZ LYS A 61 1.970 -2.212 -16.014 1.00 25.12 N ATOM 0 H LYS A 61 1.456 0.714 -11.830 1.00 42.10 H new ATOM 0 HA LYS A 61 0.485 2.605 -13.683 1.00 54.31 H new ATOM 0 HB2 LYS A 61 2.374 1.157 -14.097 1.00 43.12 H new ATOM 0 HB3 LYS A 61 1.405 -0.281 -13.841 1.00 43.12 H new ATOM 0 HG2 LYS A 61 0.657 1.602 -16.061 1.00 2.12 H new ATOM 0 HG3 LYS A 61 2.030 0.533 -16.271 1.00 2.12 H new ATOM 0 HD2 LYS A 61 -0.841 -0.262 -15.666 1.00 42.12 H new ATOM 0 HD3 LYS A 61 0.052 -0.568 -17.142 1.00 42.12 H new ATOM 0 HE2 LYS A 61 0.683 -1.742 -14.404 1.00 32.10 H new ATOM 0 HE3 LYS A 61 -0.090 -2.591 -15.728 1.00 32.10 H new ATOM 0 HZ1 LYS A 61 2.197 -3.173 -15.689 1.00 25.12 H new ATOM 0 HZ2 LYS A 61 1.955 -2.193 -17.054 1.00 25.12 H new ATOM 0 HZ3 LYS A 61 2.692 -1.549 -15.666 1.00 25.12 H new ATOM 1016 N ALA A 62 -1.531 0.115 -13.034 1.00 52.41 N ATOM 1017 CA ALA A 62 -2.899 -0.349 -13.192 1.00 42.44 C ATOM 1018 C ALA A 62 -3.888 0.622 -12.550 1.00 50.22 C ATOM 1019 O ALA A 62 -4.887 0.993 -13.164 1.00 40.32 O ATOM 1020 CB ALA A 62 -3.055 -1.743 -12.603 1.00 22.44 C ATOM 0 H ALA A 62 -0.973 -0.436 -12.382 1.00 52.41 H new ATOM 0 HA ALA A 62 -3.122 -0.394 -14.258 1.00 42.44 H new ATOM 0 HB1 ALA A 62 -4.085 -2.078 -12.728 1.00 22.44 H new ATOM 0 HB2 ALA A 62 -2.384 -2.432 -13.116 1.00 22.44 H new ATOM 0 HB3 ALA A 62 -2.808 -1.719 -11.542 1.00 22.44 H new ATOM 1026 N VAL A 63 -3.608 1.049 -11.323 1.00 33.44 N ATOM 1027 CA VAL A 63 -4.513 1.953 -10.614 1.00 12.23 C ATOM 1028 C VAL A 63 -4.499 3.355 -11.231 1.00 33.01 C ATOM 1029 O VAL A 63 -5.445 4.127 -11.064 1.00 64.01 O ATOM 1030 CB VAL A 63 -4.199 2.036 -9.099 1.00 53.54 C ATOM 1031 CG1 VAL A 63 -4.343 0.670 -8.444 1.00 73.43 C ATOM 1032 CG2 VAL A 63 -2.814 2.605 -8.848 1.00 2.42 C ATOM 0 H VAL A 63 -2.771 0.788 -10.801 1.00 33.44 H new ATOM 0 HA VAL A 63 -5.512 1.531 -10.723 1.00 12.23 H new ATOM 0 HB VAL A 63 -4.923 2.715 -8.649 1.00 53.54 H new ATOM 0 HG11 VAL A 63 -4.118 0.751 -7.381 1.00 73.43 H new ATOM 0 HG12 VAL A 63 -5.364 0.311 -8.573 1.00 73.43 H new ATOM 0 HG13 VAL A 63 -3.650 -0.031 -8.909 1.00 73.43 H new ATOM 0 HG21 VAL A 63 -2.628 2.649 -7.775 1.00 2.42 H new ATOM 0 HG22 VAL A 63 -2.067 1.967 -9.320 1.00 2.42 H new ATOM 0 HG23 VAL A 63 -2.751 3.609 -9.268 1.00 2.42 H new ATOM 1042 N MET A 64 -3.433 3.674 -11.956 1.00 0.41 N ATOM 1043 CA MET A 64 -3.343 4.951 -12.658 1.00 21.32 C ATOM 1044 C MET A 64 -4.177 4.939 -13.931 1.00 44.45 C ATOM 1045 O MET A 64 -4.952 5.862 -14.172 1.00 62.21 O ATOM 1046 CB MET A 64 -1.896 5.291 -13.016 1.00 13.11 C ATOM 1047 CG MET A 64 -1.026 5.664 -11.829 1.00 1.43 C ATOM 1048 SD MET A 64 0.658 6.078 -12.325 1.00 2.41 S ATOM 1049 CE MET A 64 1.439 6.331 -10.733 1.00 12.34 C ATOM 0 H MET A 64 -2.621 3.069 -12.074 1.00 0.41 H new ATOM 0 HA MET A 64 -3.731 5.711 -11.979 1.00 21.32 H new ATOM 0 HB2 MET A 64 -1.450 4.436 -13.523 1.00 13.11 H new ATOM 0 HB3 MET A 64 -1.895 6.118 -13.726 1.00 13.11 H new ATOM 0 HG2 MET A 64 -1.469 6.513 -11.308 1.00 1.43 H new ATOM 0 HG3 MET A 64 -1.002 4.834 -11.123 1.00 1.43 H new ATOM 0 HE1 MET A 64 2.517 6.206 -10.833 1.00 12.34 H new ATOM 0 HE2 MET A 64 1.222 7.338 -10.377 1.00 12.34 H new ATOM 0 HE3 MET A 64 1.054 5.603 -10.019 1.00 12.34 H new ATOM 1059 N LYS A 65 -4.023 3.891 -14.740 1.00 51.41 N ATOM 1060 CA LYS A 65 -4.673 3.832 -16.048 1.00 54.25 C ATOM 1061 C LYS A 65 -6.190 3.879 -15.924 1.00 14.31 C ATOM 1062 O LYS A 65 -6.867 4.528 -16.718 1.00 71.33 O ATOM 1063 CB LYS A 65 -4.209 2.589 -16.828 1.00 61.22 C ATOM 1064 CG LYS A 65 -4.589 1.240 -16.224 1.00 51.04 C ATOM 1065 CD LYS A 65 -5.959 0.763 -16.690 1.00 71.30 C ATOM 1066 CE LYS A 65 -6.020 0.614 -18.202 1.00 71.54 C ATOM 1067 NZ LYS A 65 -7.360 0.167 -18.665 1.00 5.34 N ATOM 0 H LYS A 65 -3.456 3.074 -14.513 1.00 51.41 H new ATOM 0 HA LYS A 65 -4.373 4.716 -16.611 1.00 54.25 H new ATOM 0 HB2 LYS A 65 -4.621 2.642 -17.836 1.00 61.22 H new ATOM 0 HB3 LYS A 65 -3.124 2.629 -16.924 1.00 61.22 H new ATOM 0 HG2 LYS A 65 -3.837 0.499 -16.495 1.00 51.04 H new ATOM 0 HG3 LYS A 65 -4.584 1.317 -15.137 1.00 51.04 H new ATOM 0 HD2 LYS A 65 -6.190 -0.193 -16.221 1.00 71.30 H new ATOM 0 HD3 LYS A 65 -6.721 1.471 -16.363 1.00 71.30 H new ATOM 0 HE2 LYS A 65 -5.774 1.567 -18.670 1.00 71.54 H new ATOM 0 HE3 LYS A 65 -5.267 -0.104 -18.526 1.00 71.54 H new ATOM 0 HZ1 LYS A 65 -7.358 0.078 -19.701 1.00 5.34 H new ATOM 0 HZ2 LYS A 65 -7.585 -0.755 -18.239 1.00 5.34 H new ATOM 0 HZ3 LYS A 65 -8.077 0.864 -18.379 1.00 5.34 H new ATOM 1081 N ARG A 66 -6.719 3.202 -14.919 1.00 52.55 N ATOM 1082 CA ARG A 66 -8.159 3.194 -14.686 1.00 73.35 C ATOM 1083 C ARG A 66 -8.540 4.147 -13.559 1.00 72.15 C ATOM 1084 O ARG A 66 -9.661 4.112 -13.054 1.00 0.05 O ATOM 1085 CB ARG A 66 -8.675 1.770 -14.422 1.00 72.03 C ATOM 1086 CG ARG A 66 -7.905 0.976 -13.373 1.00 52.53 C ATOM 1087 CD ARG A 66 -8.448 1.176 -11.965 1.00 25.40 C ATOM 1088 NE ARG A 66 -7.827 0.247 -11.018 1.00 14.04 N ATOM 1089 CZ ARG A 66 -8.463 -0.318 -9.989 1.00 63.30 C ATOM 1090 NH1 ARG A 66 -9.723 0.000 -9.718 1.00 11.31 N ATOM 1091 NH2 ARG A 66 -7.828 -1.193 -9.225 1.00 23.41 N ATOM 0 H ARG A 66 -6.178 2.652 -14.252 1.00 52.55 H new ATOM 0 HA ARG A 66 -8.644 3.551 -15.594 1.00 73.35 H new ATOM 0 HB2 ARG A 66 -9.718 1.832 -14.112 1.00 72.03 H new ATOM 0 HB3 ARG A 66 -8.654 1.215 -15.360 1.00 72.03 H new ATOM 0 HG2 ARG A 66 -7.944 -0.084 -13.625 1.00 52.53 H new ATOM 0 HG3 ARG A 66 -6.856 1.271 -13.398 1.00 52.53 H new ATOM 0 HD2 ARG A 66 -8.265 2.202 -11.645 1.00 25.40 H new ATOM 0 HD3 ARG A 66 -9.528 1.030 -11.965 1.00 25.40 H new ATOM 0 HE ARG A 66 -6.843 0.016 -11.154 1.00 14.04 H new ATOM 0 HH11 ARG A 66 -10.213 0.681 -10.298 1.00 11.31 H new ATOM 0 HH12 ARG A 66 -10.201 -0.437 -8.930 1.00 11.31 H new ATOM 0 HH21 ARG A 66 -6.857 -1.433 -9.424 1.00 23.41 H new ATOM 0 HH22 ARG A 66 -8.310 -1.627 -8.438 1.00 23.41 H new ATOM 1105 N GLY A 67 -7.600 4.997 -13.171 1.00 2.23 N ATOM 1106 CA GLY A 67 -7.861 5.964 -12.126 1.00 72.30 C ATOM 1107 C GLY A 67 -7.084 7.244 -12.326 1.00 24.44 C ATOM 1108 O GLY A 67 -7.267 7.941 -13.327 1.00 10.41 O ATOM 0 H GLY A 67 -6.659 5.034 -13.563 1.00 2.23 H new ATOM 0 HA2 GLY A 67 -8.927 6.189 -12.099 1.00 72.30 H new ATOM 0 HA3 GLY A 67 -7.602 5.531 -11.160 1.00 72.30 H new ATOM 1112 N ALA A 68 -6.203 7.548 -11.387 1.00 3.23 N ATOM 1113 CA ALA A 68 -5.406 8.761 -11.452 1.00 32.42 C ATOM 1114 C ALA A 68 -4.092 8.571 -10.721 1.00 71.32 C ATOM 1115 O ALA A 68 -4.033 7.888 -9.697 1.00 71.33 O ATOM 1116 CB ALA A 68 -6.175 9.937 -10.862 1.00 70.24 C ATOM 0 H ALA A 68 -6.022 6.968 -10.568 1.00 3.23 H new ATOM 0 HA ALA A 68 -5.193 8.977 -12.499 1.00 32.42 H new ATOM 0 HB1 ALA A 68 -5.563 10.837 -10.919 1.00 70.24 H new ATOM 0 HB2 ALA A 68 -7.096 10.088 -11.425 1.00 70.24 H new ATOM 0 HB3 ALA A 68 -6.417 9.728 -9.820 1.00 70.24 H new ATOM 1122 N PRO A 69 -3.019 9.179 -11.236 1.00 13.15 N ATOM 1123 CA PRO A 69 -1.692 9.086 -10.635 1.00 30.22 C ATOM 1124 C PRO A 69 -1.634 9.786 -9.280 1.00 53.10 C ATOM 1125 O PRO A 69 -0.839 9.420 -8.415 1.00 21.45 O ATOM 1126 CB PRO A 69 -0.776 9.787 -11.646 1.00 64.30 C ATOM 1127 CG PRO A 69 -1.580 9.933 -12.894 1.00 24.21 C ATOM 1128 CD PRO A 69 -3.010 10.000 -12.458 1.00 24.30 C ATOM 0 HA PRO A 69 -1.403 8.053 -10.442 1.00 30.22 H new ATOM 0 HB2 PRO A 69 -0.454 10.759 -11.273 1.00 64.30 H new ATOM 0 HB3 PRO A 69 0.125 9.201 -11.828 1.00 64.30 H new ATOM 0 HG2 PRO A 69 -1.295 10.833 -13.438 1.00 24.21 H new ATOM 0 HG3 PRO A 69 -1.416 9.090 -13.565 1.00 24.21 H new ATOM 0 HD2 PRO A 69 -3.324 11.025 -12.259 1.00 24.30 H new ATOM 0 HD3 PRO A 69 -3.683 9.602 -13.217 1.00 24.30 H new ATOM 1136 N SER A 70 -2.502 10.778 -9.098 1.00 24.00 N ATOM 1137 CA SER A 70 -2.571 11.527 -7.846 1.00 42.23 C ATOM 1138 C SER A 70 -3.106 10.653 -6.712 1.00 73.22 C ATOM 1139 O SER A 70 -2.936 10.970 -5.535 1.00 65.11 O ATOM 1140 CB SER A 70 -3.463 12.757 -8.027 1.00 40.14 C ATOM 1141 OG SER A 70 -3.017 13.545 -9.118 1.00 23.40 O ATOM 0 H SER A 70 -3.170 11.083 -9.805 1.00 24.00 H new ATOM 0 HA SER A 70 -1.563 11.846 -7.580 1.00 42.23 H new ATOM 0 HB2 SER A 70 -4.493 12.443 -8.196 1.00 40.14 H new ATOM 0 HB3 SER A 70 -3.457 13.354 -7.115 1.00 40.14 H new ATOM 0 HG SER A 70 -3.601 14.325 -9.218 1.00 23.40 H new ATOM 1147 N ILE A 71 -3.796 9.579 -7.066 1.00 3.35 N ATOM 1148 CA ILE A 71 -4.231 8.603 -6.079 1.00 72.23 C ATOM 1149 C ILE A 71 -3.064 7.702 -5.677 1.00 75.14 C ATOM 1150 O ILE A 71 -2.844 7.433 -4.497 1.00 34.52 O ATOM 1151 CB ILE A 71 -5.393 7.732 -6.607 1.00 32.35 C ATOM 1152 CG1 ILE A 71 -6.547 8.615 -7.095 1.00 51.32 C ATOM 1153 CG2 ILE A 71 -5.877 6.789 -5.515 1.00 0.34 C ATOM 1154 CD1 ILE A 71 -7.703 7.837 -7.691 1.00 64.42 C ATOM 0 H ILE A 71 -4.066 9.362 -8.025 1.00 3.35 H new ATOM 0 HA ILE A 71 -4.587 9.156 -5.210 1.00 72.23 H new ATOM 0 HB ILE A 71 -5.031 7.141 -7.448 1.00 32.35 H new ATOM 0 HG12 ILE A 71 -6.915 9.211 -6.260 1.00 51.32 H new ATOM 0 HG13 ILE A 71 -6.168 9.313 -7.842 1.00 51.32 H new ATOM 0 HG21 ILE A 71 -6.696 6.180 -5.897 1.00 0.34 H new ATOM 0 HG22 ILE A 71 -5.057 6.141 -5.204 1.00 0.34 H new ATOM 0 HG23 ILE A 71 -6.225 7.370 -4.661 1.00 0.34 H new ATOM 0 HD11 ILE A 71 -8.480 8.530 -8.013 1.00 64.42 H new ATOM 0 HD12 ILE A 71 -7.351 7.262 -8.548 1.00 64.42 H new ATOM 0 HD13 ILE A 71 -8.110 7.159 -6.941 1.00 64.42 H new ATOM 1166 N ALA A 72 -2.298 7.284 -6.679 1.00 23.44 N ATOM 1167 CA ALA A 72 -1.258 6.277 -6.503 1.00 63.02 C ATOM 1168 C ALA A 72 -0.144 6.736 -5.563 1.00 41.41 C ATOM 1169 O ALA A 72 0.344 5.954 -4.748 1.00 12.44 O ATOM 1170 CB ALA A 72 -0.677 5.890 -7.852 1.00 24.10 C ATOM 0 H ALA A 72 -2.380 7.633 -7.634 1.00 23.44 H new ATOM 0 HA ALA A 72 -1.727 5.410 -6.039 1.00 63.02 H new ATOM 0 HB1 ALA A 72 0.099 5.138 -7.712 1.00 24.10 H new ATOM 0 HB2 ALA A 72 -1.466 5.484 -8.485 1.00 24.10 H new ATOM 0 HB3 ALA A 72 -0.246 6.771 -8.329 1.00 24.10 H new ATOM 1176 N ASN A 73 0.258 7.995 -5.667 1.00 74.05 N ATOM 1177 CA ASN A 73 1.337 8.507 -4.823 1.00 31.22 C ATOM 1178 C ASN A 73 0.862 8.671 -3.382 1.00 52.43 C ATOM 1179 O ASN A 73 1.662 8.618 -2.445 1.00 35.03 O ATOM 1180 CB ASN A 73 1.915 9.824 -5.364 1.00 30.31 C ATOM 1181 CG ASN A 73 0.930 10.975 -5.358 1.00 4.12 C ATOM 1182 OD1 ASN A 73 -0.274 10.777 -5.475 1.00 22.41 O ATOM 1183 ND2 ASN A 73 1.438 12.191 -5.231 1.00 11.41 N ATOM 0 H ASN A 73 -0.138 8.675 -6.316 1.00 74.05 H new ATOM 0 HA ASN A 73 2.142 7.772 -4.841 1.00 31.22 H new ATOM 0 HB2 ASN A 73 2.785 10.100 -4.768 1.00 30.31 H new ATOM 0 HB3 ASN A 73 2.265 9.664 -6.384 1.00 30.31 H new ATOM 0 HD21 ASN A 73 0.821 13.004 -5.228 1.00 11.41 H new ATOM 0 HD22 ASN A 73 2.446 12.315 -5.136 1.00 11.41 H new ATOM 1190 N ASP A 74 -0.444 8.860 -3.204 1.00 55.11 N ATOM 1191 CA ASP A 74 -1.029 8.903 -1.868 1.00 53.21 C ATOM 1192 C ASP A 74 -1.059 7.493 -1.288 1.00 13.33 C ATOM 1193 O ASP A 74 -0.858 7.292 -0.094 1.00 1.11 O ATOM 1194 CB ASP A 74 -2.443 9.497 -1.902 1.00 74.30 C ATOM 1195 CG ASP A 74 -3.021 9.710 -0.513 1.00 54.12 C ATOM 1196 OD1 ASP A 74 -2.618 10.684 0.162 1.00 23.41 O ATOM 1197 OD2 ASP A 74 -3.896 8.922 -0.094 1.00 22.22 O ATOM 0 H ASP A 74 -1.113 8.985 -3.964 1.00 55.11 H new ATOM 0 HA ASP A 74 -0.416 9.546 -1.236 1.00 53.21 H new ATOM 0 HB2 ASP A 74 -2.420 10.449 -2.432 1.00 74.30 H new ATOM 0 HB3 ASP A 74 -3.098 8.834 -2.466 1.00 74.30 H new ATOM 1202 N THR A 75 -1.296 6.516 -2.153 1.00 54.05 N ATOM 1203 CA THR A 75 -1.201 5.115 -1.778 1.00 72.11 C ATOM 1204 C THR A 75 0.207 4.794 -1.271 1.00 25.44 C ATOM 1205 O THR A 75 0.382 4.096 -0.269 1.00 11.13 O ATOM 1206 CB THR A 75 -1.536 4.213 -2.984 1.00 14.30 C ATOM 1207 OG1 THR A 75 -2.852 4.518 -3.460 1.00 21.54 O ATOM 1208 CG2 THR A 75 -1.452 2.736 -2.621 1.00 43.22 C ATOM 0 H THR A 75 -1.557 6.672 -3.127 1.00 54.05 H new ATOM 0 HA THR A 75 -1.919 4.924 -0.980 1.00 72.11 H new ATOM 0 HB THR A 75 -0.801 4.408 -3.765 1.00 14.30 H new ATOM 0 HG1 THR A 75 -2.855 5.410 -3.865 1.00 21.54 H new ATOM 0 HG21 THR A 75 -1.694 2.132 -3.495 1.00 43.22 H new ATOM 0 HG22 THR A 75 -0.442 2.501 -2.286 1.00 43.22 H new ATOM 0 HG23 THR A 75 -2.160 2.517 -1.821 1.00 43.22 H new ATOM 1216 N LEU A 76 1.206 5.341 -1.958 1.00 33.01 N ATOM 1217 CA LEU A 76 2.604 5.088 -1.635 1.00 54.40 C ATOM 1218 C LEU A 76 2.969 5.562 -0.229 1.00 72.03 C ATOM 1219 O LEU A 76 3.720 4.890 0.475 1.00 61.31 O ATOM 1220 CB LEU A 76 3.516 5.767 -2.657 1.00 55.12 C ATOM 1221 CG LEU A 76 3.496 5.155 -4.055 1.00 31.23 C ATOM 1222 CD1 LEU A 76 4.370 5.961 -5.000 1.00 74.55 C ATOM 1223 CD2 LEU A 76 3.958 3.707 -4.002 1.00 21.15 C ATOM 0 H LEU A 76 1.069 5.969 -2.750 1.00 33.01 H new ATOM 0 HA LEU A 76 2.748 4.008 -1.670 1.00 54.40 H new ATOM 0 HB2 LEU A 76 3.231 6.816 -2.733 1.00 55.12 H new ATOM 0 HB3 LEU A 76 4.539 5.741 -2.281 1.00 55.12 H new ATOM 0 HG LEU A 76 2.473 5.178 -4.432 1.00 31.23 H new ATOM 0 HD11 LEU A 76 4.344 5.511 -5.992 1.00 74.55 H new ATOM 0 HD12 LEU A 76 3.998 6.984 -5.056 1.00 74.55 H new ATOM 0 HD13 LEU A 76 5.396 5.967 -4.631 1.00 74.55 H new ATOM 0 HD21 LEU A 76 3.939 3.282 -5.006 1.00 21.15 H new ATOM 0 HD22 LEU A 76 4.974 3.663 -3.608 1.00 21.15 H new ATOM 0 HD23 LEU A 76 3.293 3.136 -3.354 1.00 21.15 H new ATOM 1235 N ARG A 77 2.448 6.714 0.182 1.00 20.20 N ATOM 1236 CA ARG A 77 2.803 7.267 1.488 1.00 50.04 C ATOM 1237 C ARG A 77 2.261 6.401 2.620 1.00 22.41 C ATOM 1238 O ARG A 77 2.903 6.266 3.661 1.00 45.51 O ATOM 1239 CB ARG A 77 2.344 8.725 1.632 1.00 35.13 C ATOM 1240 CG ARG A 77 0.852 8.936 1.492 1.00 54.12 C ATOM 1241 CD ARG A 77 0.513 10.408 1.353 1.00 72.10 C ATOM 1242 NE ARG A 77 1.284 11.040 0.281 1.00 2.11 N ATOM 1243 CZ ARG A 77 0.810 11.986 -0.527 1.00 5.42 C ATOM 1244 NH1 ARG A 77 -0.464 12.352 -0.464 1.00 5.21 N ATOM 1245 NH2 ARG A 77 1.612 12.537 -1.429 1.00 1.11 N ATOM 0 H ARG A 77 1.790 7.276 -0.358 1.00 20.20 H new ATOM 0 HA ARG A 77 3.891 7.263 1.557 1.00 50.04 H new ATOM 0 HB2 ARG A 77 2.660 9.096 2.607 1.00 35.13 H new ATOM 0 HB3 ARG A 77 2.854 9.328 0.881 1.00 35.13 H new ATOM 0 HG2 ARG A 77 0.486 8.393 0.621 1.00 54.12 H new ATOM 0 HG3 ARG A 77 0.341 8.524 2.362 1.00 54.12 H new ATOM 0 HD2 ARG A 77 -0.552 10.519 1.150 1.00 72.10 H new ATOM 0 HD3 ARG A 77 0.713 10.918 2.295 1.00 72.10 H new ATOM 0 HE ARG A 77 2.248 10.736 0.144 1.00 2.11 H new ATOM 0 HH11 ARG A 77 -1.090 11.908 0.208 1.00 5.21 H new ATOM 0 HH12 ARG A 77 -0.818 13.078 -1.087 1.00 5.21 H new ATOM 0 HH21 ARG A 77 2.584 12.235 -1.500 1.00 1.11 H new ATOM 0 HH22 ARG A 77 1.257 13.262 -2.052 1.00 1.11 H new ATOM 1259 N TRP A 78 1.091 5.802 2.415 1.00 54.45 N ATOM 1260 CA TRP A 78 0.551 4.856 3.385 1.00 25.24 C ATOM 1261 C TRP A 78 1.458 3.633 3.471 1.00 55.20 C ATOM 1262 O TRP A 78 1.820 3.186 4.560 1.00 20.24 O ATOM 1263 CB TRP A 78 -0.869 4.420 3.005 1.00 64.34 C ATOM 1264 CG TRP A 78 -1.890 5.516 3.080 1.00 54.43 C ATOM 1265 CD1 TRP A 78 -2.621 6.028 2.048 1.00 24.34 C ATOM 1266 CD2 TRP A 78 -2.297 6.230 4.251 1.00 30.20 C ATOM 1267 NE1 TRP A 78 -3.459 7.016 2.506 1.00 50.34 N ATOM 1268 CE2 TRP A 78 -3.280 7.159 3.853 1.00 64.12 C ATOM 1269 CE3 TRP A 78 -1.929 6.174 5.599 1.00 51.32 C ATOM 1270 CZ2 TRP A 78 -3.893 8.025 4.754 1.00 21.02 C ATOM 1271 CZ3 TRP A 78 -2.539 7.035 6.492 1.00 3.23 C ATOM 1272 CH2 TRP A 78 -3.514 7.947 6.066 1.00 41.34 C ATOM 0 H TRP A 78 0.504 5.953 1.594 1.00 54.45 H new ATOM 0 HA TRP A 78 0.507 5.352 4.355 1.00 25.24 H new ATOM 0 HB2 TRP A 78 -0.855 4.021 1.991 1.00 64.34 H new ATOM 0 HB3 TRP A 78 -1.176 3.607 3.663 1.00 64.34 H new ATOM 0 HD1 TRP A 78 -2.551 5.704 1.020 1.00 24.34 H new ATOM 0 HE1 TRP A 78 -4.109 7.555 1.934 1.00 50.34 H new ATOM 0 HE3 TRP A 78 -1.182 5.471 5.936 1.00 51.32 H new ATOM 0 HZ2 TRP A 78 -4.641 8.733 4.429 1.00 21.02 H new ATOM 0 HZ3 TRP A 78 -2.260 7.004 7.535 1.00 3.23 H new ATOM 0 HH2 TRP A 78 -3.976 8.602 6.789 1.00 41.34 H new ATOM 1283 N LEU A 79 1.842 3.122 2.305 1.00 32.14 N ATOM 1284 CA LEU A 79 2.686 1.935 2.212 1.00 22.52 C ATOM 1285 C LEU A 79 4.061 2.171 2.833 1.00 54.35 C ATOM 1286 O LEU A 79 4.563 1.330 3.577 1.00 75.53 O ATOM 1287 CB LEU A 79 2.853 1.520 0.747 1.00 0.41 C ATOM 1288 CG LEU A 79 1.569 1.095 0.035 1.00 54.15 C ATOM 1289 CD1 LEU A 79 1.848 0.789 -1.430 1.00 0.30 C ATOM 1290 CD2 LEU A 79 0.961 -0.118 0.723 1.00 54.13 C ATOM 0 H LEU A 79 1.579 3.517 1.402 1.00 32.14 H new ATOM 0 HA LEU A 79 2.193 1.138 2.768 1.00 22.52 H new ATOM 0 HB2 LEU A 79 3.293 2.353 0.199 1.00 0.41 H new ATOM 0 HB3 LEU A 79 3.564 0.696 0.700 1.00 0.41 H new ATOM 0 HG LEU A 79 0.856 1.918 0.086 1.00 54.15 H new ATOM 0 HD11 LEU A 79 0.923 0.488 -1.921 1.00 0.30 H new ATOM 0 HD12 LEU A 79 2.245 1.679 -1.918 1.00 0.30 H new ATOM 0 HD13 LEU A 79 2.576 -0.019 -1.501 1.00 0.30 H new ATOM 0 HD21 LEU A 79 0.047 -0.410 0.205 1.00 54.13 H new ATOM 0 HD22 LEU A 79 1.671 -0.944 0.699 1.00 54.13 H new ATOM 0 HD23 LEU A 79 0.728 0.130 1.759 1.00 54.13 H new ATOM 1302 N LYS A 80 4.654 3.320 2.530 1.00 64.22 N ATOM 1303 CA LYS A 80 5.994 3.640 2.973 1.00 43.13 C ATOM 1304 C LYS A 80 6.080 3.622 4.497 1.00 1.33 C ATOM 1305 O LYS A 80 7.071 3.161 5.066 1.00 54.12 O ATOM 1306 CB LYS A 80 6.386 5.006 2.398 1.00 70.03 C ATOM 1307 CG LYS A 80 7.843 5.361 2.593 1.00 2.31 C ATOM 1308 CD LYS A 80 8.050 6.187 3.845 1.00 54.32 C ATOM 1309 CE LYS A 80 7.483 7.590 3.690 1.00 33.41 C ATOM 1310 NZ LYS A 80 7.892 8.487 4.804 1.00 64.03 N ATOM 0 H LYS A 80 4.215 4.051 1.971 1.00 64.22 H new ATOM 0 HA LYS A 80 6.695 2.888 2.611 1.00 43.13 H new ATOM 0 HB2 LYS A 80 6.159 5.018 1.332 1.00 70.03 H new ATOM 0 HB3 LYS A 80 5.770 5.775 2.864 1.00 70.03 H new ATOM 0 HG2 LYS A 80 8.436 4.448 2.656 1.00 2.31 H new ATOM 0 HG3 LYS A 80 8.203 5.916 1.726 1.00 2.31 H new ATOM 0 HD2 LYS A 80 7.573 5.692 4.691 1.00 54.32 H new ATOM 0 HD3 LYS A 80 9.115 6.247 4.070 1.00 54.32 H new ATOM 0 HE2 LYS A 80 7.818 8.013 2.743 1.00 33.41 H new ATOM 0 HE3 LYS A 80 6.395 7.538 3.648 1.00 33.41 H new ATOM 0 HZ1 LYS A 80 7.483 9.432 4.657 1.00 64.03 H new ATOM 0 HZ2 LYS A 80 7.550 8.098 5.706 1.00 64.03 H new ATOM 0 HZ3 LYS A 80 8.929 8.559 4.829 1.00 64.03 H new ATOM 1324 N ARG A 81 5.032 4.106 5.149 1.00 33.55 N ATOM 1325 CA ARG A 81 4.958 4.071 6.606 1.00 42.24 C ATOM 1326 C ARG A 81 4.695 2.647 7.086 1.00 21.32 C ATOM 1327 O ARG A 81 5.301 2.177 8.048 1.00 54.32 O ATOM 1328 CB ARG A 81 3.835 4.976 7.116 1.00 45.51 C ATOM 1329 CG ARG A 81 3.956 6.428 6.691 1.00 65.34 C ATOM 1330 CD ARG A 81 2.761 7.229 7.175 1.00 41.52 C ATOM 1331 NE ARG A 81 2.802 8.619 6.731 1.00 71.12 N ATOM 1332 CZ ARG A 81 1.925 9.545 7.120 1.00 53.13 C ATOM 1333 NH1 ARG A 81 0.967 9.237 7.990 1.00 22.24 N ATOM 1334 NH2 ARG A 81 2.006 10.777 6.642 1.00 62.33 N ATOM 0 H ARG A 81 4.222 4.527 4.695 1.00 33.55 H new ATOM 0 HA ARG A 81 5.912 4.425 6.997 1.00 42.24 H new ATOM 0 HB2 ARG A 81 2.881 4.585 6.762 1.00 45.51 H new ATOM 0 HB3 ARG A 81 3.814 4.930 8.205 1.00 45.51 H new ATOM 0 HG2 ARG A 81 4.874 6.855 7.094 1.00 65.34 H new ATOM 0 HG3 ARG A 81 4.026 6.490 5.605 1.00 65.34 H new ATOM 0 HD2 ARG A 81 1.845 6.762 6.813 1.00 41.52 H new ATOM 0 HD3 ARG A 81 2.725 7.200 8.264 1.00 41.52 H new ATOM 0 HE ARG A 81 3.543 8.897 6.087 1.00 71.12 H new ATOM 0 HH11 ARG A 81 0.901 8.290 8.362 1.00 22.24 H new ATOM 0 HH12 ARG A 81 0.298 9.948 8.285 1.00 22.24 H new ATOM 0 HH21 ARG A 81 2.740 11.018 5.976 1.00 62.33 H new ATOM 0 HH22 ARG A 81 1.335 11.485 6.940 1.00 62.33 H new ATOM 1348 N MET A 82 3.784 1.979 6.392 1.00 75.23 N ATOM 1349 CA MET A 82 3.329 0.643 6.763 1.00 23.40 C ATOM 1350 C MET A 82 4.475 -0.365 6.756 1.00 12.23 C ATOM 1351 O MET A 82 4.685 -1.089 7.731 1.00 30.33 O ATOM 1352 CB MET A 82 2.232 0.196 5.796 1.00 44.54 C ATOM 1353 CG MET A 82 1.561 -1.108 6.185 1.00 5.24 C ATOM 1354 SD MET A 82 0.357 -1.655 4.959 1.00 3.50 S ATOM 1355 CE MET A 82 -0.736 -0.237 4.890 1.00 74.41 C ATOM 0 H MET A 82 3.337 2.348 5.553 1.00 75.23 H new ATOM 0 HA MET A 82 2.936 0.685 7.779 1.00 23.40 H new ATOM 0 HB2 MET A 82 1.475 0.978 5.735 1.00 44.54 H new ATOM 0 HB3 MET A 82 2.661 0.089 4.800 1.00 44.54 H new ATOM 0 HG2 MET A 82 2.320 -1.880 6.314 1.00 5.24 H new ATOM 0 HG3 MET A 82 1.065 -0.985 7.148 1.00 5.24 H new ATOM 0 HE1 MET A 82 -1.702 -0.541 4.486 1.00 74.41 H new ATOM 0 HE2 MET A 82 -0.873 0.166 5.893 1.00 74.41 H new ATOM 0 HE3 MET A 82 -0.299 0.528 4.248 1.00 74.41 H new ATOM 1365 N PHE A 83 5.222 -0.405 5.659 1.00 10.20 N ATOM 1366 CA PHE A 83 6.325 -1.348 5.530 1.00 74.55 C ATOM 1367 C PHE A 83 7.463 -0.985 6.474 1.00 1.03 C ATOM 1368 O PHE A 83 8.132 -1.865 7.012 1.00 33.13 O ATOM 1369 CB PHE A 83 6.828 -1.409 4.085 1.00 32.12 C ATOM 1370 CG PHE A 83 5.813 -1.965 3.126 1.00 2.14 C ATOM 1371 CD1 PHE A 83 5.299 -3.239 3.309 1.00 41.02 C ATOM 1372 CD2 PHE A 83 5.375 -1.216 2.045 1.00 51.15 C ATOM 1373 CE1 PHE A 83 4.365 -3.756 2.433 1.00 53.14 C ATOM 1374 CE2 PHE A 83 4.441 -1.728 1.165 1.00 74.34 C ATOM 1375 CZ PHE A 83 3.935 -2.998 1.359 1.00 52.33 C ATOM 0 H PHE A 83 5.085 0.201 4.850 1.00 10.20 H new ATOM 0 HA PHE A 83 5.953 -2.335 5.804 1.00 74.55 H new ATOM 0 HB2 PHE A 83 7.111 -0.407 3.763 1.00 32.12 H new ATOM 0 HB3 PHE A 83 7.728 -2.022 4.046 1.00 32.12 H new ATOM 0 HD1 PHE A 83 5.633 -3.834 4.146 1.00 41.02 H new ATOM 0 HD2 PHE A 83 5.768 -0.222 1.889 1.00 51.15 H new ATOM 0 HE1 PHE A 83 3.971 -4.750 2.586 1.00 53.14 H new ATOM 0 HE2 PHE A 83 4.107 -1.135 0.326 1.00 74.34 H new ATOM 0 HZ PHE A 83 3.204 -3.399 0.673 1.00 52.33 H new ATOM 1385 N ASN A 84 7.662 0.311 6.694 1.00 3.23 N ATOM 1386 CA ASN A 84 8.695 0.781 7.614 1.00 4.32 C ATOM 1387 C ASN A 84 8.404 0.298 9.032 1.00 44.43 C ATOM 1388 O ASN A 84 9.319 0.015 9.808 1.00 45.55 O ATOM 1389 CB ASN A 84 8.790 2.311 7.580 1.00 35.31 C ATOM 1390 CG ASN A 84 9.858 2.854 8.513 1.00 54.55 C ATOM 1391 OD1 ASN A 84 11.034 2.931 8.153 1.00 41.45 O ATOM 1392 ND2 ASN A 84 9.456 3.255 9.709 1.00 15.33 N ATOM 0 H ASN A 84 7.123 1.054 6.249 1.00 3.23 H new ATOM 0 HA ASN A 84 9.653 0.369 7.296 1.00 4.32 H new ATOM 0 HB2 ASN A 84 9.005 2.635 6.562 1.00 35.31 H new ATOM 0 HB3 ASN A 84 7.824 2.737 7.853 1.00 35.31 H new ATOM 0 HD21 ASN A 84 10.129 3.644 10.369 1.00 15.33 H new ATOM 0 HD22 ASN A 84 8.473 3.175 9.970 1.00 15.33 H new ATOM 1399 N TYR A 85 7.122 0.194 9.361 1.00 50.21 N ATOM 1400 CA TYR A 85 6.700 -0.340 10.648 1.00 30.11 C ATOM 1401 C TYR A 85 7.112 -1.803 10.777 1.00 62.32 C ATOM 1402 O TYR A 85 7.630 -2.221 11.811 1.00 21.35 O ATOM 1403 CB TYR A 85 5.181 -0.194 10.814 1.00 71.45 C ATOM 1404 CG TYR A 85 4.618 -0.912 12.024 1.00 65.21 C ATOM 1405 CD1 TYR A 85 4.775 -0.396 13.305 1.00 3.13 C ATOM 1406 CD2 TYR A 85 3.926 -2.110 11.881 1.00 43.12 C ATOM 1407 CE1 TYR A 85 4.260 -1.054 14.408 1.00 24.22 C ATOM 1408 CE2 TYR A 85 3.409 -2.772 12.978 1.00 14.32 C ATOM 1409 CZ TYR A 85 3.579 -2.240 14.239 1.00 24.40 C ATOM 1410 OH TYR A 85 3.067 -2.900 15.333 1.00 73.55 O ATOM 0 H TYR A 85 6.354 0.474 8.751 1.00 50.21 H new ATOM 0 HA TYR A 85 7.191 0.228 11.438 1.00 30.11 H new ATOM 0 HB2 TYR A 85 4.935 0.865 10.887 1.00 71.45 H new ATOM 0 HB3 TYR A 85 4.690 -0.575 9.918 1.00 71.45 H new ATOM 0 HD1 TYR A 85 5.308 0.534 13.442 1.00 3.13 H new ATOM 0 HD2 TYR A 85 3.790 -2.530 10.895 1.00 43.12 H new ATOM 0 HE1 TYR A 85 4.391 -0.640 15.397 1.00 24.22 H new ATOM 0 HE2 TYR A 85 2.874 -3.701 12.849 1.00 14.32 H new ATOM 0 HH TYR A 85 2.615 -3.719 15.039 1.00 73.55 H new ATOM 1420 N ALA A 86 6.894 -2.572 9.719 1.00 53.11 N ATOM 1421 CA ALA A 86 7.265 -3.981 9.716 1.00 43.44 C ATOM 1422 C ALA A 86 8.781 -4.145 9.784 1.00 1.53 C ATOM 1423 O ALA A 86 9.287 -5.141 10.302 1.00 74.42 O ATOM 1424 CB ALA A 86 6.704 -4.676 8.483 1.00 20.04 C ATOM 0 H ALA A 86 6.463 -2.245 8.854 1.00 53.11 H new ATOM 0 HA ALA A 86 6.835 -4.449 10.602 1.00 43.44 H new ATOM 0 HB1 ALA A 86 6.990 -5.728 8.496 1.00 20.04 H new ATOM 0 HB2 ALA A 86 5.617 -4.596 8.483 1.00 20.04 H new ATOM 0 HB3 ALA A 86 7.103 -4.203 7.586 1.00 20.04 H new ATOM 1430 N ILE A 87 9.498 -3.157 9.266 1.00 23.33 N ATOM 1431 CA ILE A 87 10.953 -3.157 9.322 1.00 60.11 C ATOM 1432 C ILE A 87 11.441 -2.865 10.739 1.00 1.41 C ATOM 1433 O ILE A 87 12.293 -3.577 11.266 1.00 31.30 O ATOM 1434 CB ILE A 87 11.560 -2.125 8.344 1.00 31.33 C ATOM 1435 CG1 ILE A 87 11.164 -2.465 6.907 1.00 52.10 C ATOM 1436 CG2 ILE A 87 13.076 -2.080 8.482 1.00 53.41 C ATOM 1437 CD1 ILE A 87 11.639 -1.452 5.887 1.00 23.25 C ATOM 0 H ILE A 87 9.094 -2.344 8.801 1.00 23.33 H new ATOM 0 HA ILE A 87 11.285 -4.152 9.024 1.00 60.11 H new ATOM 0 HB ILE A 87 11.166 -1.139 8.592 1.00 31.33 H new ATOM 0 HG12 ILE A 87 11.570 -3.443 6.650 1.00 52.10 H new ATOM 0 HG13 ILE A 87 10.079 -2.545 6.848 1.00 52.10 H new ATOM 0 HG21 ILE A 87 13.483 -1.348 7.785 1.00 53.41 H new ATOM 0 HG22 ILE A 87 13.340 -1.797 9.501 1.00 53.41 H new ATOM 0 HG23 ILE A 87 13.491 -3.063 8.259 1.00 53.41 H new ATOM 0 HD11 ILE A 87 11.320 -1.761 4.892 1.00 23.25 H new ATOM 0 HD12 ILE A 87 11.212 -0.476 6.118 1.00 23.25 H new ATOM 0 HD13 ILE A 87 12.727 -1.389 5.916 1.00 23.25 H new ATOM 1449 N LYS A 88 10.877 -1.833 11.368 1.00 41.14 N ATOM 1450 CA LYS A 88 11.333 -1.420 12.694 1.00 1.55 C ATOM 1451 C LYS A 88 11.025 -2.479 13.753 1.00 1.42 C ATOM 1452 O LYS A 88 11.760 -2.617 14.726 1.00 75.11 O ATOM 1453 CB LYS A 88 10.734 -0.070 13.110 1.00 43.24 C ATOM 1454 CG LYS A 88 9.233 -0.092 13.343 1.00 33.35 C ATOM 1455 CD LYS A 88 8.761 1.176 14.036 1.00 52.44 C ATOM 1456 CE LYS A 88 9.062 2.415 13.210 1.00 23.44 C ATOM 1457 NZ LYS A 88 8.763 3.666 13.957 1.00 13.40 N ATOM 0 H LYS A 88 10.114 -1.275 10.986 1.00 41.14 H new ATOM 0 HA LYS A 88 12.415 -1.306 12.626 1.00 1.55 H new ATOM 0 HB2 LYS A 88 11.226 0.266 14.023 1.00 43.24 H new ATOM 0 HB3 LYS A 88 10.958 0.666 12.338 1.00 43.24 H new ATOM 0 HG2 LYS A 88 8.717 -0.201 12.389 1.00 33.35 H new ATOM 0 HG3 LYS A 88 8.970 -0.959 13.949 1.00 33.35 H new ATOM 0 HD2 LYS A 88 7.688 1.113 14.219 1.00 52.44 H new ATOM 0 HD3 LYS A 88 9.246 1.261 15.009 1.00 52.44 H new ATOM 0 HE2 LYS A 88 10.112 2.409 12.917 1.00 23.44 H new ATOM 0 HE3 LYS A 88 8.474 2.391 12.292 1.00 23.44 H new ATOM 0 HZ1 LYS A 88 8.982 4.488 13.359 1.00 13.40 H new ATOM 0 HZ2 LYS A 88 7.756 3.684 14.215 1.00 13.40 H new ATOM 0 HZ3 LYS A 88 9.342 3.702 14.820 1.00 13.40 H new ATOM 1471 N ARG A 89 9.942 -3.229 13.568 1.00 72.11 N ATOM 1472 CA ARG A 89 9.610 -4.311 14.497 1.00 5.00 C ATOM 1473 C ARG A 89 10.256 -5.622 14.044 1.00 63.23 C ATOM 1474 O ARG A 89 9.980 -6.692 14.591 1.00 34.30 O ATOM 1475 CB ARG A 89 8.087 -4.444 14.664 1.00 10.44 C ATOM 1476 CG ARG A 89 7.316 -4.750 13.390 1.00 63.15 C ATOM 1477 CD ARG A 89 7.134 -6.241 13.180 1.00 33.13 C ATOM 1478 NE ARG A 89 6.481 -6.877 14.324 1.00 2.52 N ATOM 1479 CZ ARG A 89 5.245 -7.375 14.300 1.00 73.12 C ATOM 1480 NH1 ARG A 89 4.496 -7.280 13.209 1.00 74.33 N ATOM 1481 NH2 ARG A 89 4.746 -7.964 15.374 1.00 24.43 N ATOM 0 H ARG A 89 9.286 -3.112 12.796 1.00 72.11 H new ATOM 0 HA ARG A 89 10.017 -4.067 15.478 1.00 5.00 H new ATOM 0 HB2 ARG A 89 7.885 -5.233 15.389 1.00 10.44 H new ATOM 0 HB3 ARG A 89 7.702 -3.516 15.087 1.00 10.44 H new ATOM 0 HG2 ARG A 89 6.339 -4.268 13.433 1.00 63.15 H new ATOM 0 HG3 ARG A 89 7.844 -4.325 12.536 1.00 63.15 H new ATOM 0 HD2 ARG A 89 6.540 -6.411 12.282 1.00 33.13 H new ATOM 0 HD3 ARG A 89 8.106 -6.705 13.012 1.00 33.13 H new ATOM 0 HE ARG A 89 7.005 -6.944 15.196 1.00 2.52 H new ATOM 0 HH11 ARG A 89 4.865 -6.822 12.376 1.00 74.33 H new ATOM 0 HH12 ARG A 89 3.552 -7.665 13.204 1.00 74.33 H new ATOM 0 HH21 ARG A 89 5.307 -8.038 16.222 1.00 24.43 H new ATOM 0 HH22 ARG A 89 3.800 -8.345 15.354 1.00 24.43 H new ATOM 1495 N HIS A 90 11.120 -5.501 13.040 1.00 65.05 N ATOM 1496 CA HIS A 90 11.978 -6.586 12.567 1.00 51.42 C ATOM 1497 C HIS A 90 11.191 -7.762 11.980 1.00 63.35 C ATOM 1498 O HIS A 90 11.024 -8.804 12.619 1.00 51.20 O ATOM 1499 CB HIS A 90 12.913 -7.066 13.686 1.00 45.43 C ATOM 1500 CG HIS A 90 14.050 -7.918 13.206 1.00 21.44 C ATOM 1501 ND1 HIS A 90 14.603 -8.925 13.960 1.00 35.42 N ATOM 1502 CD2 HIS A 90 14.757 -7.888 12.052 1.00 23.31 C ATOM 1503 CE1 HIS A 90 15.600 -9.476 13.296 1.00 60.50 C ATOM 1504 NE2 HIS A 90 15.718 -8.865 12.132 1.00 54.03 N ATOM 0 H HIS A 90 11.247 -4.631 12.522 1.00 65.05 H new ATOM 0 HA HIS A 90 12.576 -6.175 11.753 1.00 51.42 H new ATOM 0 HB2 HIS A 90 13.317 -6.197 14.205 1.00 45.43 H new ATOM 0 HB3 HIS A 90 12.331 -7.631 14.414 1.00 45.43 H new ATOM 0 HD2 HIS A 90 14.595 -7.218 11.221 1.00 23.31 H new ATOM 0 HE1 HIS A 90 16.217 -10.291 13.646 1.00 60.50 H new ATOM 0 HE2 HIS A 90 16.408 -9.082 11.413 1.00 54.03 H new ATOM 1513 N ILE A 91 10.690 -7.565 10.767 1.00 12.44 N ATOM 1514 CA ILE A 91 10.173 -8.659 9.952 1.00 30.22 C ATOM 1515 C ILE A 91 10.855 -8.619 8.594 1.00 25.14 C ATOM 1516 O ILE A 91 11.577 -9.543 8.221 1.00 23.14 O ATOM 1517 CB ILE A 91 8.638 -8.597 9.757 1.00 22.12 C ATOM 1518 CG1 ILE A 91 7.919 -8.851 11.085 1.00 71.02 C ATOM 1519 CG2 ILE A 91 8.186 -9.609 8.707 1.00 25.13 C ATOM 1520 CD1 ILE A 91 6.410 -8.875 10.959 1.00 72.14 C ATOM 0 H ILE A 91 10.630 -6.649 10.322 1.00 12.44 H new ATOM 0 HA ILE A 91 10.388 -9.590 10.477 1.00 30.22 H new ATOM 0 HB ILE A 91 8.379 -7.598 9.406 1.00 22.12 H new ATOM 0 HG12 ILE A 91 8.257 -9.802 11.496 1.00 71.02 H new ATOM 0 HG13 ILE A 91 8.204 -8.077 11.797 1.00 71.02 H new ATOM 0 HG21 ILE A 91 7.104 -9.549 8.586 1.00 25.13 H new ATOM 0 HG22 ILE A 91 8.671 -9.388 7.756 1.00 25.13 H new ATOM 0 HG23 ILE A 91 8.460 -10.614 9.029 1.00 25.13 H new ATOM 0 HD11 ILE A 91 5.966 -9.060 11.937 1.00 72.14 H new ATOM 0 HD12 ILE A 91 6.061 -7.915 10.578 1.00 72.14 H new ATOM 0 HD13 ILE A 91 6.115 -9.668 10.271 1.00 72.14 H new ATOM 1532 N ILE A 92 10.644 -7.528 7.874 1.00 23.41 N ATOM 1533 CA ILE A 92 11.303 -7.315 6.599 1.00 42.12 C ATOM 1534 C ILE A 92 12.396 -6.273 6.752 1.00 44.24 C ATOM 1535 O ILE A 92 12.493 -5.615 7.789 1.00 73.43 O ATOM 1536 CB ILE A 92 10.318 -6.863 5.500 1.00 0.32 C ATOM 1537 CG1 ILE A 92 9.571 -5.596 5.933 1.00 62.04 C ATOM 1538 CG2 ILE A 92 9.346 -7.986 5.169 1.00 11.14 C ATOM 1539 CD1 ILE A 92 8.652 -5.035 4.870 1.00 21.32 C ATOM 0 H ILE A 92 10.018 -6.774 8.155 1.00 23.41 H new ATOM 0 HA ILE A 92 11.730 -8.270 6.292 1.00 42.12 H new ATOM 0 HB ILE A 92 10.884 -6.626 4.599 1.00 0.32 H new ATOM 0 HG12 ILE A 92 8.986 -5.818 6.826 1.00 62.04 H new ATOM 0 HG13 ILE A 92 10.299 -4.833 6.210 1.00 62.04 H new ATOM 0 HG21 ILE A 92 8.657 -7.654 4.393 1.00 11.14 H new ATOM 0 HG22 ILE A 92 9.901 -8.855 4.814 1.00 11.14 H new ATOM 0 HG23 ILE A 92 8.783 -8.255 6.063 1.00 11.14 H new ATOM 0 HD11 ILE A 92 8.159 -4.140 5.250 1.00 21.32 H new ATOM 0 HD12 ILE A 92 9.233 -4.780 3.984 1.00 21.32 H new ATOM 0 HD13 ILE A 92 7.900 -5.780 4.609 1.00 21.32 H new ATOM 1551 N GLU A 93 13.218 -6.128 5.727 1.00 72.23 N ATOM 1552 CA GLU A 93 14.304 -5.163 5.758 1.00 73.45 C ATOM 1553 C GLU A 93 14.234 -4.253 4.533 1.00 64.35 C ATOM 1554 O GLU A 93 14.939 -3.247 4.443 1.00 61.25 O ATOM 1555 CB GLU A 93 15.644 -5.906 5.821 1.00 74.13 C ATOM 1556 CG GLU A 93 16.847 -5.013 6.084 1.00 31.51 C ATOM 1557 CD GLU A 93 18.107 -5.811 6.345 1.00 2.25 C ATOM 1558 OE1 GLU A 93 18.667 -6.382 5.387 1.00 51.54 O ATOM 1559 OE2 GLU A 93 18.532 -5.894 7.517 1.00 74.30 O ATOM 0 H GLU A 93 13.154 -6.666 4.863 1.00 72.23 H new ATOM 0 HA GLU A 93 14.213 -4.536 6.645 1.00 73.45 H new ATOM 0 HB2 GLU A 93 15.590 -6.662 6.605 1.00 74.13 H new ATOM 0 HB3 GLU A 93 15.798 -6.433 4.880 1.00 74.13 H new ATOM 0 HG2 GLU A 93 17.005 -4.358 5.227 1.00 31.51 H new ATOM 0 HG3 GLU A 93 16.641 -4.372 6.941 1.00 31.51 H new ATOM 1566 N TYR A 94 13.361 -4.605 3.598 1.00 2.04 N ATOM 1567 CA TYR A 94 13.198 -3.833 2.374 1.00 23.02 C ATOM 1568 C TYR A 94 11.874 -3.086 2.379 1.00 31.12 C ATOM 1569 O TYR A 94 10.820 -3.673 2.617 1.00 3.32 O ATOM 1570 CB TYR A 94 13.275 -4.742 1.145 1.00 1.10 C ATOM 1571 CG TYR A 94 14.649 -5.329 0.904 1.00 1.14 C ATOM 1572 CD1 TYR A 94 15.100 -6.427 1.628 1.00 52.31 C ATOM 1573 CD2 TYR A 94 15.493 -4.783 -0.051 1.00 74.25 C ATOM 1574 CE1 TYR A 94 16.353 -6.961 1.406 1.00 31.31 C ATOM 1575 CE2 TYR A 94 16.747 -5.313 -0.279 1.00 25.51 C ATOM 1576 CZ TYR A 94 17.173 -6.400 0.452 1.00 23.34 C ATOM 1577 OH TYR A 94 18.428 -6.927 0.230 1.00 30.45 O ATOM 0 H TYR A 94 12.754 -5.422 3.665 1.00 2.04 H new ATOM 0 HA TYR A 94 14.010 -3.108 2.327 1.00 23.02 H new ATOM 0 HB2 TYR A 94 12.558 -5.555 1.261 1.00 1.10 H new ATOM 0 HB3 TYR A 94 12.974 -4.174 0.265 1.00 1.10 H new ATOM 0 HD1 TYR A 94 14.459 -6.869 2.376 1.00 52.31 H new ATOM 0 HD2 TYR A 94 15.164 -3.930 -0.625 1.00 74.25 H new ATOM 0 HE1 TYR A 94 16.689 -7.814 1.977 1.00 31.31 H new ATOM 0 HE2 TYR A 94 17.392 -4.877 -1.028 1.00 25.51 H new ATOM 0 HH TYR A 94 18.877 -6.416 -0.476 1.00 30.45 H new ATOM 1587 N ASN A 95 11.946 -1.785 2.141 1.00 52.20 N ATOM 1588 CA ASN A 95 10.775 -0.940 2.027 1.00 72.53 C ATOM 1589 C ASN A 95 10.445 -0.679 0.557 1.00 21.33 C ATOM 1590 O ASN A 95 10.966 0.263 -0.039 1.00 23.01 O ATOM 1591 CB ASN A 95 11.036 0.375 2.745 1.00 60.33 C ATOM 1592 CG ASN A 95 9.776 1.163 3.004 1.00 72.24 C ATOM 1593 OD1 ASN A 95 8.799 1.090 2.254 1.00 0.02 O ATOM 1594 ND2 ASN A 95 9.792 1.923 4.075 1.00 41.41 N ATOM 0 H ASN A 95 12.827 -1.286 2.021 1.00 52.20 H new ATOM 0 HA ASN A 95 9.923 -1.444 2.485 1.00 72.53 H new ATOM 0 HB2 ASN A 95 11.533 0.173 3.694 1.00 60.33 H new ATOM 0 HB3 ASN A 95 11.720 0.979 2.149 1.00 60.33 H new ATOM 0 HD21 ASN A 95 8.974 2.484 4.315 1.00 41.41 H new ATOM 0 HD22 ASN A 95 10.622 1.953 4.667 1.00 41.41 H new ATOM 1601 N PRO A 96 9.610 -1.534 -0.063 1.00 75.30 N ATOM 1602 CA PRO A 96 9.297 -1.452 -1.499 1.00 0.45 C ATOM 1603 C PRO A 96 8.747 -0.088 -1.924 1.00 73.42 C ATOM 1604 O PRO A 96 8.881 0.311 -3.081 1.00 31.10 O ATOM 1605 CB PRO A 96 8.233 -2.541 -1.704 1.00 44.04 C ATOM 1606 CG PRO A 96 7.720 -2.851 -0.339 1.00 21.25 C ATOM 1607 CD PRO A 96 8.877 -2.630 0.589 1.00 63.11 C ATOM 0 HA PRO A 96 10.194 -1.587 -2.103 1.00 0.45 H new ATOM 0 HB2 PRO A 96 7.432 -2.191 -2.355 1.00 44.04 H new ATOM 0 HB3 PRO A 96 8.662 -3.426 -2.174 1.00 44.04 H new ATOM 0 HG2 PRO A 96 6.881 -2.205 -0.080 1.00 21.25 H new ATOM 0 HG3 PRO A 96 7.361 -3.879 -0.280 1.00 21.25 H new ATOM 0 HD2 PRO A 96 8.546 -2.356 1.591 1.00 63.11 H new ATOM 0 HD3 PRO A 96 9.492 -3.524 0.690 1.00 63.11 H new ATOM 1615 N ALA A 97 8.139 0.627 -0.986 1.00 44.35 N ATOM 1616 CA ALA A 97 7.536 1.918 -1.287 1.00 73.51 C ATOM 1617 C ALA A 97 8.565 3.043 -1.211 1.00 42.11 C ATOM 1618 O ALA A 97 8.362 4.123 -1.766 1.00 3.13 O ATOM 1619 CB ALA A 97 6.376 2.193 -0.345 1.00 51.42 C ATOM 0 H ALA A 97 8.051 0.335 -0.013 1.00 44.35 H new ATOM 0 HA ALA A 97 7.158 1.881 -2.309 1.00 73.51 H new ATOM 0 HB1 ALA A 97 5.936 3.161 -0.583 1.00 51.42 H new ATOM 0 HB2 ALA A 97 5.622 1.414 -0.459 1.00 51.42 H new ATOM 0 HB3 ALA A 97 6.737 2.201 0.684 1.00 51.42 H new ATOM 1625 N ALA A 98 9.678 2.778 -0.539 1.00 2.43 N ATOM 1626 CA ALA A 98 10.729 3.775 -0.376 1.00 4.12 C ATOM 1627 C ALA A 98 11.551 3.910 -1.652 1.00 10.53 C ATOM 1628 O ALA A 98 12.340 4.845 -1.801 1.00 23.02 O ATOM 1629 CB ALA A 98 11.628 3.417 0.796 1.00 2.44 C ATOM 0 H ALA A 98 9.877 1.880 -0.098 1.00 2.43 H new ATOM 0 HA ALA A 98 10.255 4.735 -0.170 1.00 4.12 H new ATOM 0 HB1 ALA A 98 12.406 4.173 0.902 1.00 2.44 H new ATOM 0 HB2 ALA A 98 11.035 3.376 1.710 1.00 2.44 H new ATOM 0 HB3 ALA A 98 12.088 2.445 0.618 1.00 2.44 H new ATOM 1635 N ALA A 99 11.364 2.968 -2.568 1.00 10.13 N ATOM 1636 CA ALA A 99 12.049 2.997 -3.853 1.00 62.43 C ATOM 1637 C ALA A 99 11.409 4.034 -4.772 1.00 30.44 C ATOM 1638 O ALA A 99 11.952 4.376 -5.824 1.00 31.12 O ATOM 1639 CB ALA A 99 12.026 1.617 -4.493 1.00 43.21 C ATOM 0 H ALA A 99 10.740 2.171 -2.443 1.00 10.13 H new ATOM 0 HA ALA A 99 13.089 3.282 -3.692 1.00 62.43 H new ATOM 0 HB1 ALA A 99 12.541 1.652 -5.453 1.00 43.21 H new ATOM 0 HB2 ALA A 99 12.527 0.904 -3.838 1.00 43.21 H new ATOM 0 HB3 ALA A 99 10.993 1.305 -4.647 1.00 43.21 H new ATOM 1645 N PHE A 100 10.252 4.528 -4.360 1.00 71.04 N ATOM 1646 CA PHE A 100 9.543 5.557 -5.099 1.00 14.45 C ATOM 1647 C PHE A 100 9.479 6.832 -4.271 1.00 75.40 C ATOM 1648 O PHE A 100 9.986 6.876 -3.149 1.00 35.42 O ATOM 1649 CB PHE A 100 8.127 5.092 -5.445 1.00 33.05 C ATOM 1650 CG PHE A 100 8.083 3.859 -6.302 1.00 12.51 C ATOM 1651 CD1 PHE A 100 8.122 2.597 -5.728 1.00 50.52 C ATOM 1652 CD2 PHE A 100 7.999 3.962 -7.681 1.00 2.32 C ATOM 1653 CE1 PHE A 100 8.077 1.463 -6.514 1.00 13.14 C ATOM 1654 CE2 PHE A 100 7.954 2.832 -8.472 1.00 2.32 C ATOM 1655 CZ PHE A 100 7.992 1.580 -7.889 1.00 25.40 C ATOM 0 H PHE A 100 9.781 4.227 -3.507 1.00 71.04 H new ATOM 0 HA PHE A 100 10.081 5.753 -6.027 1.00 14.45 H new ATOM 0 HB2 PHE A 100 7.582 4.900 -4.521 1.00 33.05 H new ATOM 0 HB3 PHE A 100 7.606 5.899 -5.960 1.00 33.05 H new ATOM 0 HD1 PHE A 100 8.188 2.500 -4.654 1.00 50.52 H new ATOM 0 HD2 PHE A 100 7.968 4.938 -8.142 1.00 2.32 H new ATOM 0 HE1 PHE A 100 8.108 0.486 -6.055 1.00 13.14 H new ATOM 0 HE2 PHE A 100 7.889 2.926 -9.546 1.00 2.32 H new ATOM 0 HZ PHE A 100 7.955 0.694 -8.506 1.00 25.40 H new