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 -99:sc= 0.399 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.00294 USER MOD Single : A 11 GLN : amide:sc= -0.0703 X(o=-0.07,f=-0.084) USER MOD Single : A 16 TYR OH : rot -30:sc= -0.764 USER MOD Single : A 20 MET CE :methyl 142:sc= -2.58! (180deg=-4.97!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 29 ASN : amide:sc= -0.106 K(o=-0.11,f=-3.8!) USER MOD Single : A 33 SER OG : rot 87:sc= 1.22 USER MOD Single : A 37 LYS NZ :NH3+ -167:sc= 0.788 (180deg=0.483) USER MOD Single : A 40 LYS NZ :NH3+ 148:sc= 1.21 (180deg=0.574) USER MOD Single : A 45 SER OG : rot -50:sc= 0.176 USER MOD Single : A 47 LYS NZ :NH3+ 165:sc= 2.25 (180deg=0.983) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 HIS : no HD1:sc= -3.12! C(o=-3.1!,f=-4.2!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 MET CE :methyl 139:sc= -0.901 (180deg=-1.41) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0.00114 USER MOD Single : A 73 ASN : amide:sc= -2.23! K(o=-2.2!,f=-0.12) USER MOD Single : A 75 THR OG1 : rot 85:sc= 1.24 USER MOD Single : A 80 LYS NZ :NH3+ 161:sc= 1.46 (180deg=1.13) USER MOD Single : A 82 MET CE :methyl -131:sc= -0.227 (180deg=-2.1) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 85 TYR OH : rot -166:sc= 1.27 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -0.0879 K(o=-0.088,f=-4.7!) USER MOD ----------------------------------------------------------------- ATOM 91 N TYR A 7 3.228 -11.755 9.357 1.00 32.40 N ATOM 92 CA TYR A 7 1.973 -11.724 8.611 1.00 34.24 C ATOM 93 C TYR A 7 2.134 -11.022 7.268 1.00 33.23 C ATOM 94 O TYR A 7 3.195 -10.480 6.957 1.00 34.40 O ATOM 95 CB TYR A 7 0.866 -11.066 9.444 1.00 1.41 C ATOM 96 CG TYR A 7 1.311 -9.856 10.237 1.00 71.13 C ATOM 97 CD1 TYR A 7 1.863 -10.010 11.499 1.00 34.02 C ATOM 98 CD2 TYR A 7 1.166 -8.568 9.738 1.00 65.31 C ATOM 99 CE1 TYR A 7 2.264 -8.921 12.239 1.00 53.22 C ATOM 100 CE2 TYR A 7 1.562 -7.468 10.479 1.00 22.41 C ATOM 101 CZ TYR A 7 2.111 -7.653 11.732 1.00 3.42 C ATOM 102 OH TYR A 7 2.508 -6.567 12.484 1.00 25.20 O ATOM 0 HA TYR A 7 1.684 -12.755 8.406 1.00 34.24 H new ATOM 0 HB2 TYR A 7 0.055 -10.770 8.778 1.00 1.41 H new ATOM 0 HB3 TYR A 7 0.459 -11.806 10.133 1.00 1.41 H new ATOM 0 HD1 TYR A 7 1.981 -11.002 11.909 1.00 34.02 H new ATOM 0 HD2 TYR A 7 0.738 -8.423 8.757 1.00 65.31 H new ATOM 0 HE1 TYR A 7 2.699 -9.063 13.217 1.00 53.22 H new ATOM 0 HE2 TYR A 7 1.442 -6.472 10.080 1.00 22.41 H new ATOM 0 HH TYR A 7 1.728 -6.173 12.927 1.00 25.20 H new ATOM 112 N THR A 8 1.079 -11.047 6.469 1.00 71.31 N ATOM 113 CA THR A 8 1.122 -10.504 5.125 1.00 71.22 C ATOM 114 C THR A 8 0.822 -9.010 5.116 1.00 72.22 C ATOM 115 O THR A 8 0.459 -8.432 6.144 1.00 24.01 O ATOM 116 CB THR A 8 0.111 -11.232 4.232 1.00 61.31 C ATOM 117 OG1 THR A 8 -1.192 -11.165 4.826 1.00 1.14 O ATOM 118 CG2 THR A 8 0.518 -12.685 4.040 1.00 22.45 C ATOM 0 H THR A 8 0.176 -11.442 6.733 1.00 71.31 H new ATOM 0 HA THR A 8 2.131 -10.653 4.740 1.00 71.22 H new ATOM 0 HB THR A 8 0.091 -10.746 3.256 1.00 61.31 H new ATOM 0 HG1 THR A 8 -1.837 -11.629 4.253 1.00 1.14 H new ATOM 0 HG21 THR A 8 -0.211 -13.186 3.403 1.00 22.45 H new ATOM 0 HG22 THR A 8 1.501 -12.729 3.570 1.00 22.45 H new ATOM 0 HG23 THR A 8 0.557 -13.183 5.009 1.00 22.45 H new ATOM 126 N VAL A 9 0.966 -8.391 3.948 1.00 33.14 N ATOM 127 CA VAL A 9 0.698 -6.967 3.794 1.00 22.42 C ATOM 128 C VAL A 9 -0.781 -6.670 4.052 1.00 11.23 C ATOM 129 O VAL A 9 -1.140 -5.570 4.471 1.00 24.43 O ATOM 130 CB VAL A 9 1.114 -6.467 2.389 1.00 73.23 C ATOM 131 CG1 VAL A 9 0.305 -7.154 1.298 1.00 31.02 C ATOM 132 CG2 VAL A 9 0.984 -4.955 2.285 1.00 22.41 C ATOM 0 H VAL A 9 1.268 -8.856 3.092 1.00 33.14 H new ATOM 0 HA VAL A 9 1.296 -6.431 4.531 1.00 22.42 H new ATOM 0 HB VAL A 9 2.163 -6.727 2.244 1.00 73.23 H new ATOM 0 HG11 VAL A 9 0.620 -6.782 0.323 1.00 31.02 H new ATOM 0 HG12 VAL A 9 0.469 -8.230 1.346 1.00 31.02 H new ATOM 0 HG13 VAL A 9 -0.754 -6.942 1.442 1.00 31.02 H new ATOM 0 HG21 VAL A 9 1.283 -4.632 1.288 1.00 22.41 H new ATOM 0 HG22 VAL A 9 -0.051 -4.666 2.465 1.00 22.41 H new ATOM 0 HG23 VAL A 9 1.627 -4.483 3.027 1.00 22.41 H new ATOM 142 N ALA A 10 -1.634 -7.670 3.830 1.00 4.31 N ATOM 143 CA ALA A 10 -3.057 -7.537 4.108 1.00 62.35 C ATOM 144 C ALA A 10 -3.286 -7.294 5.594 1.00 11.44 C ATOM 145 O ALA A 10 -4.043 -6.401 5.985 1.00 64.33 O ATOM 146 CB ALA A 10 -3.807 -8.782 3.655 1.00 3.02 C ATOM 0 H ALA A 10 -1.361 -8.580 3.458 1.00 4.31 H new ATOM 0 HA ALA A 10 -3.439 -6.681 3.552 1.00 62.35 H new ATOM 0 HB1 ALA A 10 -4.869 -8.665 3.870 1.00 3.02 H new ATOM 0 HB2 ALA A 10 -3.667 -8.921 2.583 1.00 3.02 H new ATOM 0 HB3 ALA A 10 -3.422 -9.652 4.187 1.00 3.02 H new ATOM 152 N GLN A 11 -2.612 -8.084 6.418 1.00 74.12 N ATOM 153 CA GLN A 11 -2.735 -7.971 7.864 1.00 42.24 C ATOM 154 C GLN A 11 -1.985 -6.742 8.367 1.00 12.11 C ATOM 155 O GLN A 11 -2.419 -6.073 9.304 1.00 24.10 O ATOM 156 CB GLN A 11 -2.198 -9.233 8.542 1.00 1.01 C ATOM 157 CG GLN A 11 -2.892 -10.510 8.095 1.00 13.02 C ATOM 158 CD GLN A 11 -4.396 -10.460 8.281 1.00 64.24 C ATOM 159 OE1 GLN A 11 -5.131 -10.053 7.383 1.00 14.13 O ATOM 160 NE2 GLN A 11 -4.863 -10.880 9.445 1.00 64.45 N ATOM 0 H GLN A 11 -1.971 -8.814 6.107 1.00 74.12 H new ATOM 0 HA GLN A 11 -3.790 -7.861 8.115 1.00 42.24 H new ATOM 0 HB2 GLN A 11 -1.131 -9.319 8.337 1.00 1.01 H new ATOM 0 HB3 GLN A 11 -2.307 -9.129 9.622 1.00 1.01 H new ATOM 0 HG2 GLN A 11 -2.667 -10.691 7.044 1.00 13.02 H new ATOM 0 HG3 GLN A 11 -2.489 -11.352 8.657 1.00 13.02 H new ATOM 0 HE21 GLN A 11 -4.219 -11.210 10.164 1.00 64.45 H new ATOM 0 HE22 GLN A 11 -5.867 -10.874 9.624 1.00 64.45 H new ATOM 169 N LEU A 12 -0.862 -6.450 7.724 1.00 51.25 N ATOM 170 CA LEU A 12 -0.055 -5.289 8.070 1.00 55.33 C ATOM 171 C LEU A 12 -0.841 -4.000 7.833 1.00 63.41 C ATOM 172 O LEU A 12 -0.862 -3.108 8.680 1.00 23.34 O ATOM 173 CB LEU A 12 1.236 -5.283 7.245 1.00 75.11 C ATOM 174 CG LEU A 12 2.239 -4.182 7.598 1.00 64.04 C ATOM 175 CD1 LEU A 12 2.706 -4.319 9.037 1.00 44.13 C ATOM 176 CD2 LEU A 12 3.422 -4.227 6.649 1.00 40.54 C ATOM 0 H LEU A 12 -0.488 -7.006 6.955 1.00 51.25 H new ATOM 0 HA LEU A 12 0.202 -5.346 9.128 1.00 55.33 H new ATOM 0 HB2 LEU A 12 1.727 -6.249 7.364 1.00 75.11 H new ATOM 0 HB3 LEU A 12 0.973 -5.186 6.192 1.00 75.11 H new ATOM 0 HG LEU A 12 1.743 -3.217 7.493 1.00 64.04 H new ATOM 0 HD11 LEU A 12 3.418 -3.526 9.265 1.00 44.13 H new ATOM 0 HD12 LEU A 12 1.849 -4.241 9.706 1.00 44.13 H new ATOM 0 HD13 LEU A 12 3.186 -5.288 9.173 1.00 44.13 H new ATOM 0 HD21 LEU A 12 4.128 -3.439 6.910 1.00 40.54 H new ATOM 0 HD22 LEU A 12 3.914 -5.196 6.727 1.00 40.54 H new ATOM 0 HD23 LEU A 12 3.074 -4.078 5.627 1.00 40.54 H new ATOM 188 N ALA A 13 -1.498 -3.919 6.682 1.00 14.01 N ATOM 189 CA ALA A 13 -2.297 -2.752 6.333 1.00 31.30 C ATOM 190 C ALA A 13 -3.512 -2.625 7.247 1.00 20.15 C ATOM 191 O ALA A 13 -3.918 -1.520 7.599 1.00 71.50 O ATOM 192 CB ALA A 13 -2.732 -2.820 4.877 1.00 53.31 C ATOM 0 H ALA A 13 -1.492 -4.651 5.972 1.00 14.01 H new ATOM 0 HA ALA A 13 -1.677 -1.866 6.471 1.00 31.30 H new ATOM 0 HB1 ALA A 13 -3.328 -1.940 4.634 1.00 53.31 H new ATOM 0 HB2 ALA A 13 -1.851 -2.851 4.235 1.00 53.31 H new ATOM 0 HB3 ALA A 13 -3.329 -3.718 4.717 1.00 53.31 H new ATOM 198 N ASP A 14 -4.083 -3.759 7.633 1.00 4.15 N ATOM 199 CA ASP A 14 -5.239 -3.769 8.532 1.00 24.41 C ATOM 200 C ASP A 14 -4.863 -3.222 9.906 1.00 60.42 C ATOM 201 O ASP A 14 -5.595 -2.420 10.494 1.00 34.22 O ATOM 202 CB ASP A 14 -5.805 -5.186 8.676 1.00 11.13 C ATOM 203 CG ASP A 14 -6.945 -5.255 9.673 1.00 53.55 C ATOM 204 OD1 ASP A 14 -8.086 -4.903 9.306 1.00 54.23 O ATOM 205 OD2 ASP A 14 -6.704 -5.663 10.830 1.00 62.45 O ATOM 0 H ASP A 14 -3.768 -4.684 7.340 1.00 4.15 H new ATOM 0 HA ASP A 14 -6.004 -3.127 8.095 1.00 24.41 H new ATOM 0 HB2 ASP A 14 -6.154 -5.535 7.704 1.00 11.13 H new ATOM 0 HB3 ASP A 14 -5.010 -5.862 8.990 1.00 11.13 H new ATOM 210 N GLU A 15 -3.713 -3.654 10.405 1.00 24.15 N ATOM 211 CA GLU A 15 -3.215 -3.195 11.695 1.00 54.01 C ATOM 212 C GLU A 15 -2.816 -1.724 11.605 1.00 52.31 C ATOM 213 O GLU A 15 -3.051 -0.943 12.530 1.00 54.41 O ATOM 214 CB GLU A 15 -2.035 -4.066 12.136 1.00 65.53 C ATOM 215 CG GLU A 15 -1.549 -3.788 13.548 1.00 42.11 C ATOM 216 CD GLU A 15 -0.772 -4.952 14.125 1.00 32.53 C ATOM 217 OE1 GLU A 15 -1.409 -5.871 14.681 1.00 51.11 O ATOM 218 OE2 GLU A 15 0.472 -4.966 14.021 1.00 41.02 O ATOM 0 H GLU A 15 -3.105 -4.324 9.934 1.00 24.15 H new ATOM 0 HA GLU A 15 -4.002 -3.286 12.444 1.00 54.01 H new ATOM 0 HB2 GLU A 15 -2.325 -5.114 12.063 1.00 65.53 H new ATOM 0 HB3 GLU A 15 -1.208 -3.915 11.443 1.00 65.53 H new ATOM 0 HG2 GLU A 15 -0.919 -2.899 13.545 1.00 42.11 H new ATOM 0 HG3 GLU A 15 -2.404 -3.571 14.188 1.00 42.11 H new ATOM 225 N TYR A 16 -2.234 -1.353 10.470 1.00 72.22 N ATOM 226 CA TYR A 16 -1.896 0.035 10.187 1.00 22.10 C ATOM 227 C TYR A 16 -3.160 0.894 10.184 1.00 63.51 C ATOM 228 O TYR A 16 -3.183 1.987 10.753 1.00 40.40 O ATOM 229 CB TYR A 16 -1.181 0.119 8.831 1.00 24.50 C ATOM 230 CG TYR A 16 -0.726 1.509 8.437 1.00 41.24 C ATOM 231 CD1 TYR A 16 0.405 2.079 9.007 1.00 71.33 C ATOM 232 CD2 TYR A 16 -1.420 2.244 7.483 1.00 2.23 C ATOM 233 CE1 TYR A 16 0.830 3.342 8.639 1.00 73.23 C ATOM 234 CE2 TYR A 16 -1.001 3.507 7.111 1.00 42.22 C ATOM 235 CZ TYR A 16 0.123 4.051 7.690 1.00 74.43 C ATOM 236 OH TYR A 16 0.543 5.310 7.320 1.00 54.51 O ATOM 0 H TYR A 16 -1.985 -2.003 9.724 1.00 72.22 H new ATOM 0 HA TYR A 16 -1.230 0.413 10.963 1.00 22.10 H new ATOM 0 HB2 TYR A 16 -0.313 -0.540 8.853 1.00 24.50 H new ATOM 0 HB3 TYR A 16 -1.850 -0.261 8.059 1.00 24.50 H new ATOM 0 HD1 TYR A 16 0.961 1.527 9.750 1.00 71.33 H new ATOM 0 HD2 TYR A 16 -2.302 1.821 7.025 1.00 2.23 H new ATOM 0 HE1 TYR A 16 1.711 3.772 9.092 1.00 73.23 H new ATOM 0 HE2 TYR A 16 -1.553 4.065 6.369 1.00 42.22 H new ATOM 0 HH TYR A 16 0.993 5.740 8.077 1.00 54.51 H new ATOM 246 N PHE A 17 -4.213 0.376 9.558 1.00 51.30 N ATOM 247 CA PHE A 17 -5.500 1.063 9.484 1.00 61.33 C ATOM 248 C PHE A 17 -6.029 1.386 10.879 1.00 21.13 C ATOM 249 O PHE A 17 -6.365 2.527 11.174 1.00 13.43 O ATOM 250 CB PHE A 17 -6.514 0.190 8.728 1.00 0.10 C ATOM 251 CG PHE A 17 -7.866 0.828 8.522 1.00 42.25 C ATOM 252 CD1 PHE A 17 -8.829 0.797 9.520 1.00 33.33 C ATOM 253 CD2 PHE A 17 -8.176 1.448 7.324 1.00 43.32 C ATOM 254 CE1 PHE A 17 -10.070 1.374 9.326 1.00 61.24 C ATOM 255 CE2 PHE A 17 -9.415 2.024 7.123 1.00 62.13 C ATOM 256 CZ PHE A 17 -10.364 1.987 8.126 1.00 34.12 C ATOM 0 H PHE A 17 -4.199 -0.529 9.089 1.00 51.30 H new ATOM 0 HA PHE A 17 -5.358 2.001 8.948 1.00 61.33 H new ATOM 0 HB2 PHE A 17 -6.097 -0.067 7.754 1.00 0.10 H new ATOM 0 HB3 PHE A 17 -6.647 -0.744 9.274 1.00 0.10 H new ATOM 0 HD1 PHE A 17 -8.606 0.316 10.461 1.00 33.33 H new ATOM 0 HD2 PHE A 17 -7.439 1.482 6.535 1.00 43.32 H new ATOM 0 HE1 PHE A 17 -10.809 1.345 10.113 1.00 61.24 H new ATOM 0 HE2 PHE A 17 -9.642 2.503 6.182 1.00 62.13 H new ATOM 0 HZ PHE A 17 -11.334 2.437 7.971 1.00 34.12 H new ATOM 266 N GLU A 18 -6.067 0.380 11.738 1.00 62.24 N ATOM 267 CA GLU A 18 -6.661 0.521 13.066 1.00 71.42 C ATOM 268 C GLU A 18 -5.916 1.549 13.919 1.00 5.02 C ATOM 269 O GLU A 18 -6.465 2.075 14.881 1.00 1.54 O ATOM 270 CB GLU A 18 -6.684 -0.832 13.777 1.00 44.42 C ATOM 271 CG GLU A 18 -8.073 -1.267 14.214 1.00 71.25 C ATOM 272 CD GLU A 18 -8.711 -0.303 15.194 1.00 71.43 C ATOM 273 OE1 GLU A 18 -8.430 -0.411 16.407 1.00 52.13 O ATOM 274 OE2 GLU A 18 -9.492 0.566 14.760 1.00 60.43 O ATOM 0 H GLU A 18 -5.693 -0.548 11.542 1.00 62.24 H new ATOM 0 HA GLU A 18 -7.681 0.880 12.933 1.00 71.42 H new ATOM 0 HB2 GLU A 18 -6.268 -1.589 13.113 1.00 44.42 H new ATOM 0 HB3 GLU A 18 -6.035 -0.784 14.652 1.00 44.42 H new ATOM 0 HG2 GLU A 18 -8.712 -1.361 13.336 1.00 71.25 H new ATOM 0 HG3 GLU A 18 -8.012 -2.255 14.671 1.00 71.25 H new ATOM 281 N ARG A 19 -4.666 1.821 13.583 1.00 5.22 N ATOM 282 CA ARG A 19 -3.877 2.776 14.353 1.00 70.44 C ATOM 283 C ARG A 19 -3.864 4.158 13.704 1.00 53.14 C ATOM 284 O ARG A 19 -3.804 5.172 14.394 1.00 72.33 O ATOM 285 CB ARG A 19 -2.449 2.265 14.537 1.00 31.34 C ATOM 286 CG ARG A 19 -2.372 0.970 15.330 1.00 43.03 C ATOM 287 CD ARG A 19 -3.192 1.059 16.609 1.00 73.15 C ATOM 288 NE ARG A 19 -3.008 -0.113 17.464 1.00 55.13 N ATOM 289 CZ ARG A 19 -3.939 -1.046 17.667 1.00 45.21 C ATOM 290 NH1 ARG A 19 -5.116 -0.965 17.052 1.00 11.04 N ATOM 291 NH2 ARG A 19 -3.693 -2.056 18.494 1.00 50.21 N ATOM 0 H ARG A 19 -4.178 1.401 12.792 1.00 5.22 H new ATOM 0 HA ARG A 19 -4.349 2.875 15.330 1.00 70.44 H new ATOM 0 HB2 ARG A 19 -1.997 2.111 13.557 1.00 31.34 H new ATOM 0 HB3 ARG A 19 -1.859 3.029 15.044 1.00 31.34 H new ATOM 0 HG2 ARG A 19 -2.735 0.144 14.719 1.00 43.03 H new ATOM 0 HG3 ARG A 19 -1.333 0.752 15.576 1.00 43.03 H new ATOM 0 HD2 ARG A 19 -2.908 1.956 17.159 1.00 73.15 H new ATOM 0 HD3 ARG A 19 -4.247 1.160 16.356 1.00 73.15 H new ATOM 0 HE ARG A 19 -2.110 -0.224 17.935 1.00 55.13 H new ATOM 0 HH11 ARG A 19 -5.310 -0.187 16.422 1.00 11.04 H new ATOM 0 HH12 ARG A 19 -5.825 -1.681 17.211 1.00 11.04 H new ATOM 0 HH21 ARG A 19 -2.794 -2.116 18.972 1.00 50.21 H new ATOM 0 HH22 ARG A 19 -4.403 -2.771 18.651 1.00 50.21 H new ATOM 305 N MET A 20 -3.927 4.195 12.382 1.00 24.53 N ATOM 306 CA MET A 20 -3.824 5.457 11.649 1.00 42.20 C ATOM 307 C MET A 20 -5.189 6.040 11.304 1.00 42.41 C ATOM 308 O MET A 20 -5.296 7.218 10.980 1.00 24.34 O ATOM 309 CB MET A 20 -3.007 5.265 10.371 1.00 54.40 C ATOM 310 CG MET A 20 -1.520 5.032 10.613 1.00 45.05 C ATOM 311 SD MET A 20 -0.589 6.558 10.908 1.00 33.43 S ATOM 312 CE MET A 20 -1.146 7.024 12.546 1.00 3.51 C ATOM 0 H MET A 20 -4.048 3.372 11.792 1.00 24.53 H new ATOM 0 HA MET A 20 -3.319 6.165 12.306 1.00 42.20 H new ATOM 0 HB2 MET A 20 -3.411 4.417 9.818 1.00 54.40 H new ATOM 0 HB3 MET A 20 -3.128 6.145 9.739 1.00 54.40 H new ATOM 0 HG2 MET A 20 -1.399 4.370 11.470 1.00 45.05 H new ATOM 0 HG3 MET A 20 -1.096 4.518 9.751 1.00 45.05 H new ATOM 0 HE1 MET A 20 -0.310 7.435 13.112 1.00 3.51 H new ATOM 0 HE2 MET A 20 -1.932 7.775 12.463 1.00 3.51 H new ATOM 0 HE3 MET A 20 -1.536 6.146 13.061 1.00 3.51 H new ATOM 322 N ILE A 21 -6.225 5.217 11.369 1.00 63.54 N ATOM 323 CA ILE A 21 -7.582 5.646 11.024 1.00 52.41 C ATOM 324 C ILE A 21 -8.447 5.702 12.292 1.00 40.41 C ATOM 325 O ILE A 21 -9.675 5.658 12.247 1.00 52.41 O ATOM 326 CB ILE A 21 -8.198 4.686 9.966 1.00 62.34 C ATOM 327 CG1 ILE A 21 -7.219 4.494 8.799 1.00 1.34 C ATOM 328 CG2 ILE A 21 -9.531 5.207 9.438 1.00 63.21 C ATOM 329 CD1 ILE A 21 -6.885 5.775 8.058 1.00 61.11 C ATOM 0 H ILE A 21 -6.156 4.241 11.659 1.00 63.54 H new ATOM 0 HA ILE A 21 -7.545 6.644 10.588 1.00 52.41 H new ATOM 0 HB ILE A 21 -8.381 3.729 10.455 1.00 62.34 H new ATOM 0 HG12 ILE A 21 -6.297 4.056 9.180 1.00 1.34 H new ATOM 0 HG13 ILE A 21 -7.645 3.779 8.095 1.00 1.34 H new ATOM 0 HG21 ILE A 21 -9.929 4.509 8.702 1.00 63.21 H new ATOM 0 HG22 ILE A 21 -10.236 5.305 10.263 1.00 63.21 H new ATOM 0 HG23 ILE A 21 -9.382 6.181 8.971 1.00 63.21 H new ATOM 0 HD11 ILE A 21 -6.188 5.556 7.249 1.00 61.11 H new ATOM 0 HD12 ILE A 21 -7.798 6.205 7.645 1.00 61.11 H new ATOM 0 HD13 ILE A 21 -6.429 6.486 8.747 1.00 61.11 H new ATOM 341 N ALA A 22 -7.784 5.825 13.433 1.00 15.33 N ATOM 342 CA ALA A 22 -8.475 5.870 14.717 1.00 52.22 C ATOM 343 C ALA A 22 -8.302 7.223 15.408 1.00 72.15 C ATOM 344 O ALA A 22 -8.587 7.359 16.602 1.00 42.35 O ATOM 345 CB ALA A 22 -7.966 4.755 15.615 1.00 51.11 C ATOM 0 H ALA A 22 -6.768 5.896 13.498 1.00 15.33 H new ATOM 0 HA ALA A 22 -9.540 5.731 14.529 1.00 52.22 H new ATOM 0 HB1 ALA A 22 -8.485 4.793 16.573 1.00 51.11 H new ATOM 0 HB2 ALA A 22 -8.152 3.792 15.140 1.00 51.11 H new ATOM 0 HB3 ALA A 22 -6.895 4.879 15.778 1.00 51.11 H new ATOM 351 N GLY A 23 -7.850 8.227 14.665 1.00 64.01 N ATOM 352 CA GLY A 23 -7.591 9.525 15.269 1.00 54.25 C ATOM 353 C GLY A 23 -8.219 10.677 14.507 1.00 74.24 C ATOM 354 O GLY A 23 -8.742 11.618 15.103 1.00 62.41 O ATOM 0 H GLY A 23 -7.659 8.169 13.665 1.00 64.01 H new ATOM 0 HA2 GLY A 23 -7.970 9.525 16.291 1.00 54.25 H new ATOM 0 HA3 GLY A 23 -6.514 9.682 15.329 1.00 54.25 H new ATOM 358 N ARG A 24 -8.156 10.604 13.191 1.00 23.32 N ATOM 359 CA ARG A 24 -8.673 11.649 12.322 1.00 24.22 C ATOM 360 C ARG A 24 -8.980 11.045 10.958 1.00 13.21 C ATOM 361 O ARG A 24 -8.078 10.882 10.136 1.00 70.23 O ATOM 362 CB ARG A 24 -7.627 12.752 12.173 1.00 5.55 C ATOM 363 CG ARG A 24 -8.155 14.041 11.577 1.00 31.41 C ATOM 364 CD ARG A 24 -9.036 14.781 12.567 1.00 63.43 C ATOM 365 NE ARG A 24 -9.074 16.209 12.281 1.00 50.11 N ATOM 366 CZ ARG A 24 -8.322 17.106 12.916 1.00 73.02 C ATOM 367 NH1 ARG A 24 -7.553 16.728 13.935 1.00 25.42 N ATOM 368 NH2 ARG A 24 -8.354 18.379 12.547 1.00 25.44 N ATOM 0 H ARG A 24 -7.744 9.816 12.691 1.00 23.32 H new ATOM 0 HA ARG A 24 -9.581 12.074 12.750 1.00 24.22 H new ATOM 0 HB2 ARG A 24 -7.202 12.967 13.153 1.00 5.55 H new ATOM 0 HB3 ARG A 24 -6.815 12.383 11.547 1.00 5.55 H new ATOM 0 HG2 ARG A 24 -7.321 14.677 11.282 1.00 31.41 H new ATOM 0 HG3 ARG A 24 -8.723 13.821 10.673 1.00 31.41 H new ATOM 0 HD2 ARG A 24 -10.047 14.374 12.532 1.00 63.43 H new ATOM 0 HD3 ARG A 24 -8.663 14.621 13.579 1.00 63.43 H new ATOM 0 HE ARG A 24 -9.711 16.539 11.556 1.00 50.11 H new ATOM 0 HH11 ARG A 24 -7.540 15.751 14.229 1.00 25.42 H new ATOM 0 HH12 ARG A 24 -6.977 17.415 14.421 1.00 25.42 H new ATOM 0 HH21 ARG A 24 -8.955 18.672 11.776 1.00 25.44 H new ATOM 0 HH22 ARG A 24 -7.778 19.066 13.034 1.00 25.44 H new ATOM 382 N TRP A 25 -10.226 10.671 10.720 1.00 63.00 N ATOM 383 CA TRP A 25 -10.540 9.909 9.521 1.00 52.30 C ATOM 384 C TRP A 25 -11.856 10.347 8.874 1.00 63.15 C ATOM 385 O TRP A 25 -11.902 10.560 7.664 1.00 52.42 O ATOM 386 CB TRP A 25 -10.562 8.413 9.870 1.00 2.44 C ATOM 387 CG TRP A 25 -11.679 8.004 10.792 1.00 70.10 C ATOM 388 CD1 TRP A 25 -12.796 7.317 10.439 1.00 33.40 C ATOM 389 CD2 TRP A 25 -11.801 8.262 12.200 1.00 12.13 C ATOM 390 NE1 TRP A 25 -13.611 7.135 11.529 1.00 12.03 N ATOM 391 CE2 TRP A 25 -13.021 7.701 12.622 1.00 71.42 C ATOM 392 CE3 TRP A 25 -11.001 8.909 13.143 1.00 53.14 C ATOM 393 CZ2 TRP A 25 -13.458 7.769 13.942 1.00 11.03 C ATOM 394 CZ3 TRP A 25 -11.435 8.976 14.454 1.00 43.24 C ATOM 395 CH2 TRP A 25 -12.654 8.409 14.840 1.00 14.40 C ATOM 0 H TRP A 25 -11.021 10.876 11.325 1.00 63.00 H new ATOM 0 HA TRP A 25 -9.764 10.102 8.780 1.00 52.30 H new ATOM 0 HB2 TRP A 25 -10.641 7.839 8.947 1.00 2.44 H new ATOM 0 HB3 TRP A 25 -9.611 8.146 10.331 1.00 2.44 H new ATOM 0 HD1 TRP A 25 -13.013 6.964 9.442 1.00 33.40 H new ATOM 0 HE1 TRP A 25 -14.511 6.655 11.523 1.00 12.03 H new ATOM 0 HE3 TRP A 25 -10.059 9.350 12.853 1.00 53.14 H new ATOM 0 HZ2 TRP A 25 -14.398 7.332 14.244 1.00 11.03 H new ATOM 0 HZ3 TRP A 25 -10.823 9.474 15.192 1.00 43.24 H new ATOM 0 HH2 TRP A 25 -12.966 8.479 15.872 1.00 14.40 H new ATOM 406 N LYS A 26 -12.912 10.487 9.684 1.00 71.32 N ATOM 407 CA LYS A 26 -14.233 10.951 9.220 1.00 63.51 C ATOM 408 C LYS A 26 -14.939 9.957 8.278 1.00 13.00 C ATOM 409 O LYS A 26 -16.156 9.802 8.343 1.00 34.14 O ATOM 410 CB LYS A 26 -14.125 12.322 8.544 1.00 43.41 C ATOM 411 CG LYS A 26 -13.609 13.417 9.464 1.00 42.42 C ATOM 412 CD LYS A 26 -13.600 14.772 8.777 1.00 75.43 C ATOM 413 CE LYS A 26 -12.677 14.790 7.568 1.00 2.13 C ATOM 414 NZ LYS A 26 -12.592 16.142 6.956 1.00 0.52 N ATOM 0 H LYS A 26 -12.879 10.282 10.683 1.00 71.32 H new ATOM 0 HA LYS A 26 -14.849 11.030 10.116 1.00 63.51 H new ATOM 0 HB2 LYS A 26 -13.462 12.241 7.682 1.00 43.41 H new ATOM 0 HB3 LYS A 26 -15.106 12.609 8.166 1.00 43.41 H new ATOM 0 HG2 LYS A 26 -14.233 13.466 10.357 1.00 42.42 H new ATOM 0 HG3 LYS A 26 -12.600 13.170 9.793 1.00 42.42 H new ATOM 0 HD2 LYS A 26 -14.613 15.027 8.464 1.00 75.43 H new ATOM 0 HD3 LYS A 26 -13.283 15.536 9.487 1.00 75.43 H new ATOM 0 HE2 LYS A 26 -11.681 14.463 7.867 1.00 2.13 H new ATOM 0 HE3 LYS A 26 -13.037 14.077 6.826 1.00 2.13 H new ATOM 0 HZ1 LYS A 26 -11.954 16.112 6.136 1.00 0.52 H new ATOM 0 HZ2 LYS A 26 -13.538 16.444 6.648 1.00 0.52 H new ATOM 0 HZ3 LYS A 26 -12.224 16.818 7.656 1.00 0.52 H new ATOM 428 N HIS A 27 -14.188 9.290 7.410 1.00 54.14 N ATOM 429 CA HIS A 27 -14.760 8.400 6.401 1.00 62.33 C ATOM 430 C HIS A 27 -13.873 7.174 6.223 1.00 33.11 C ATOM 431 O HIS A 27 -12.990 7.152 5.365 1.00 14.11 O ATOM 432 CB HIS A 27 -14.934 9.116 5.053 1.00 13.12 C ATOM 433 CG HIS A 27 -16.058 10.109 5.016 1.00 72.42 C ATOM 434 ND1 HIS A 27 -17.301 9.818 4.496 1.00 1.23 N ATOM 435 CD2 HIS A 27 -16.119 11.398 5.423 1.00 30.20 C ATOM 436 CE1 HIS A 27 -18.074 10.881 4.587 1.00 63.13 C ATOM 437 NE2 HIS A 27 -17.382 11.854 5.146 1.00 31.44 N ATOM 0 H HIS A 27 -13.170 9.349 7.383 1.00 54.14 H new ATOM 0 HA HIS A 27 -15.745 8.090 6.749 1.00 62.33 H new ATOM 0 HB2 HIS A 27 -14.005 9.629 4.806 1.00 13.12 H new ATOM 0 HB3 HIS A 27 -15.101 8.368 4.278 1.00 13.12 H new ATOM 0 HD2 HIS A 27 -15.321 11.963 5.881 1.00 30.20 H new ATOM 0 HE1 HIS A 27 -19.101 10.945 4.259 1.00 63.13 H new ATOM 0 HE2 HIS A 27 -17.730 12.793 5.341 1.00 31.44 H new ATOM 446 N PRO A 28 -14.088 6.150 7.054 1.00 34.24 N ATOM 447 CA PRO A 28 -13.242 4.949 7.092 1.00 13.52 C ATOM 448 C PRO A 28 -13.324 4.125 5.813 1.00 15.34 C ATOM 449 O PRO A 28 -12.327 3.569 5.356 1.00 0.40 O ATOM 450 CB PRO A 28 -13.805 4.146 8.275 1.00 63.45 C ATOM 451 CG PRO A 28 -14.648 5.113 9.037 1.00 71.31 C ATOM 452 CD PRO A 28 -15.185 6.073 8.028 1.00 15.41 C ATOM 0 HA PRO A 28 -12.188 5.209 7.193 1.00 13.52 H new ATOM 0 HB2 PRO A 28 -14.394 3.297 7.930 1.00 63.45 H new ATOM 0 HB3 PRO A 28 -13.004 3.746 8.897 1.00 63.45 H new ATOM 0 HG2 PRO A 28 -15.457 4.600 9.557 1.00 71.31 H new ATOM 0 HG3 PRO A 28 -14.060 5.631 9.795 1.00 71.31 H new ATOM 0 HD2 PRO A 28 -16.108 5.712 7.574 1.00 15.41 H new ATOM 0 HD3 PRO A 28 -15.406 7.045 8.469 1.00 15.41 H new ATOM 460 N ASN A 29 -14.511 4.061 5.230 1.00 41.42 N ATOM 461 CA ASN A 29 -14.739 3.226 4.058 1.00 61.42 C ATOM 462 C ASN A 29 -13.937 3.714 2.856 1.00 61.12 C ATOM 463 O ASN A 29 -13.485 2.911 2.042 1.00 14.11 O ATOM 464 CB ASN A 29 -16.229 3.163 3.703 1.00 5.02 C ATOM 465 CG ASN A 29 -16.805 4.502 3.278 1.00 32.42 C ATOM 466 OD1 ASN A 29 -16.442 5.554 3.810 1.00 34.53 O ATOM 467 ND2 ASN A 29 -17.694 4.469 2.297 1.00 50.22 N ATOM 0 H ASN A 29 -15.332 4.576 5.548 1.00 41.42 H new ATOM 0 HA ASN A 29 -14.398 2.222 4.312 1.00 61.42 H new ATOM 0 HB2 ASN A 29 -16.373 2.442 2.898 1.00 5.02 H new ATOM 0 HB3 ASN A 29 -16.785 2.794 4.565 1.00 5.02 H new ATOM 0 HD21 ASN A 29 -18.107 5.336 1.953 1.00 50.22 H new ATOM 0 HD22 ASN A 29 -17.966 3.576 1.885 1.00 50.22 H new ATOM 474 N ILE A 30 -13.746 5.026 2.759 1.00 32.41 N ATOM 475 CA ILE A 30 -13.012 5.614 1.644 1.00 50.35 C ATOM 476 C ILE A 30 -11.569 5.114 1.625 1.00 71.21 C ATOM 477 O ILE A 30 -11.095 4.575 0.621 1.00 4.35 O ATOM 478 CB ILE A 30 -13.021 7.159 1.715 1.00 75.35 C ATOM 479 CG1 ILE A 30 -14.460 7.692 1.707 1.00 51.52 C ATOM 480 CG2 ILE A 30 -12.223 7.760 0.563 1.00 52.34 C ATOM 481 CD1 ILE A 30 -15.244 7.339 0.460 1.00 63.12 C ATOM 0 H ILE A 30 -14.090 5.703 3.440 1.00 32.41 H new ATOM 0 HA ILE A 30 -13.513 5.305 0.727 1.00 50.35 H new ATOM 0 HB ILE A 30 -12.547 7.457 2.650 1.00 75.35 H new ATOM 0 HG12 ILE A 30 -14.986 7.299 2.577 1.00 51.52 H new ATOM 0 HG13 ILE A 30 -14.435 8.777 1.812 1.00 51.52 H new ATOM 0 HG21 ILE A 30 -12.244 8.847 0.634 1.00 52.34 H new ATOM 0 HG22 ILE A 30 -11.191 7.413 0.615 1.00 52.34 H new ATOM 0 HG23 ILE A 30 -12.663 7.450 -0.385 1.00 52.34 H new ATOM 0 HD11 ILE A 30 -16.250 7.752 0.533 1.00 63.12 H new ATOM 0 HD12 ILE A 30 -14.744 7.755 -0.414 1.00 63.12 H new ATOM 0 HD13 ILE A 30 -15.304 6.255 0.362 1.00 63.12 H new ATOM 493 N VAL A 31 -10.882 5.267 2.748 1.00 72.24 N ATOM 494 CA VAL A 31 -9.496 4.833 2.851 1.00 3.31 C ATOM 495 C VAL A 31 -9.403 3.304 2.868 1.00 41.51 C ATOM 496 O VAL A 31 -8.440 2.726 2.363 1.00 10.13 O ATOM 497 CB VAL A 31 -8.796 5.440 4.095 1.00 22.20 C ATOM 498 CG1 VAL A 31 -9.523 5.063 5.373 1.00 21.43 C ATOM 499 CG2 VAL A 31 -7.335 5.019 4.159 1.00 51.25 C ATOM 0 H VAL A 31 -11.260 5.687 3.598 1.00 72.24 H new ATOM 0 HA VAL A 31 -8.973 5.200 1.968 1.00 3.31 H new ATOM 0 HB VAL A 31 -8.831 6.525 3.998 1.00 22.20 H new ATOM 0 HG11 VAL A 31 -9.009 5.503 6.227 1.00 21.43 H new ATOM 0 HG12 VAL A 31 -10.546 5.437 5.333 1.00 21.43 H new ATOM 0 HG13 VAL A 31 -9.537 3.978 5.477 1.00 21.43 H new ATOM 0 HG21 VAL A 31 -6.868 5.458 5.040 1.00 51.25 H new ATOM 0 HG22 VAL A 31 -7.272 3.932 4.218 1.00 51.25 H new ATOM 0 HG23 VAL A 31 -6.817 5.364 3.264 1.00 51.25 H new ATOM 509 N ARG A 32 -10.424 2.649 3.418 1.00 52.33 N ATOM 510 CA ARG A 32 -10.467 1.191 3.446 1.00 73.23 C ATOM 511 C ARG A 32 -10.554 0.628 2.029 1.00 73.11 C ATOM 512 O ARG A 32 -9.925 -0.380 1.715 1.00 13.51 O ATOM 513 CB ARG A 32 -11.655 0.695 4.278 1.00 24.44 C ATOM 514 CG ARG A 32 -11.761 -0.820 4.334 1.00 54.13 C ATOM 515 CD ARG A 32 -10.589 -1.443 5.078 1.00 62.23 C ATOM 516 NE ARG A 32 -10.510 -2.884 4.844 1.00 63.01 N ATOM 517 CZ ARG A 32 -10.836 -3.814 5.738 1.00 2.51 C ATOM 518 NH1 ARG A 32 -11.251 -3.471 6.950 1.00 41.12 N ATOM 519 NH2 ARG A 32 -10.740 -5.093 5.412 1.00 32.41 N ATOM 0 H ARG A 32 -11.229 3.104 3.848 1.00 52.33 H new ATOM 0 HA ARG A 32 -9.546 0.838 3.910 1.00 73.23 H new ATOM 0 HB2 ARG A 32 -11.566 1.083 5.293 1.00 24.44 H new ATOM 0 HB3 ARG A 32 -12.576 1.101 3.861 1.00 24.44 H new ATOM 0 HG2 ARG A 32 -12.693 -1.101 4.824 1.00 54.13 H new ATOM 0 HG3 ARG A 32 -11.801 -1.219 3.320 1.00 54.13 H new ATOM 0 HD2 ARG A 32 -9.661 -0.970 4.758 1.00 62.23 H new ATOM 0 HD3 ARG A 32 -10.692 -1.252 6.146 1.00 62.23 H new ATOM 0 HE ARG A 32 -10.182 -3.199 3.931 1.00 63.01 H new ATOM 0 HH11 ARG A 32 -11.323 -2.486 7.205 1.00 41.12 H new ATOM 0 HH12 ARG A 32 -11.498 -4.192 7.627 1.00 41.12 H new ATOM 0 HH21 ARG A 32 -10.418 -5.359 4.481 1.00 32.41 H new ATOM 0 HH22 ARG A 32 -10.988 -5.812 6.091 1.00 32.41 H new ATOM 533 N SER A 33 -11.321 1.296 1.174 1.00 64.22 N ATOM 534 CA SER A 33 -11.462 0.876 -0.215 1.00 50.10 C ATOM 535 C SER A 33 -10.122 0.956 -0.937 1.00 44.32 C ATOM 536 O SER A 33 -9.840 0.159 -1.833 1.00 22.12 O ATOM 537 CB SER A 33 -12.502 1.738 -0.928 1.00 3.51 C ATOM 538 OG SER A 33 -13.765 1.635 -0.295 1.00 63.34 O ATOM 0 H SER A 33 -11.854 2.130 1.419 1.00 64.22 H new ATOM 0 HA SER A 33 -11.800 -0.160 -0.229 1.00 50.10 H new ATOM 0 HB2 SER A 33 -12.177 2.778 -0.932 1.00 3.51 H new ATOM 0 HB3 SER A 33 -12.586 1.426 -1.969 1.00 3.51 H new ATOM 0 HG SER A 33 -13.824 2.295 0.427 1.00 63.34 H new ATOM 544 N ARG A 34 -9.297 1.914 -0.535 1.00 43.23 N ATOM 545 CA ARG A 34 -7.952 2.038 -1.079 1.00 21.30 C ATOM 546 C ARG A 34 -7.101 0.847 -0.655 1.00 15.41 C ATOM 547 O ARG A 34 -6.300 0.345 -1.428 1.00 71.22 O ATOM 548 CB ARG A 34 -7.302 3.354 -0.635 1.00 0.04 C ATOM 549 CG ARG A 34 -7.501 4.502 -1.616 1.00 2.13 C ATOM 550 CD ARG A 34 -8.950 4.620 -2.061 1.00 53.11 C ATOM 551 NE ARG A 34 -9.172 5.764 -2.942 1.00 54.31 N ATOM 552 CZ ARG A 34 -9.249 5.682 -4.269 1.00 52.01 C ATOM 553 NH1 ARG A 34 -8.902 4.562 -4.896 1.00 64.54 N ATOM 554 NH2 ARG A 34 -9.616 6.744 -4.972 1.00 11.14 N ATOM 0 H ARG A 34 -9.536 2.616 0.165 1.00 43.23 H new ATOM 0 HA ARG A 34 -8.020 2.048 -2.167 1.00 21.30 H new ATOM 0 HB2 ARG A 34 -7.711 3.641 0.333 1.00 0.04 H new ATOM 0 HB3 ARG A 34 -6.234 3.191 -0.494 1.00 0.04 H new ATOM 0 HG2 ARG A 34 -7.186 5.436 -1.151 1.00 2.13 H new ATOM 0 HG3 ARG A 34 -6.864 4.350 -2.488 1.00 2.13 H new ATOM 0 HD2 ARG A 34 -9.244 3.706 -2.576 1.00 53.11 H new ATOM 0 HD3 ARG A 34 -9.590 4.711 -1.184 1.00 53.11 H new ATOM 0 HE ARG A 34 -9.275 6.684 -2.514 1.00 54.31 H new ATOM 0 HH11 ARG A 34 -8.574 3.758 -4.360 1.00 64.54 H new ATOM 0 HH12 ARG A 34 -8.964 4.507 -5.913 1.00 64.54 H new ATOM 0 HH21 ARG A 34 -9.838 7.619 -4.496 1.00 11.14 H new ATOM 0 HH22 ARG A 34 -9.677 6.687 -5.989 1.00 11.14 H new ATOM 568 N ILE A 35 -7.303 0.378 0.566 1.00 2.14 N ATOM 569 CA ILE A 35 -6.586 -0.790 1.055 1.00 25.55 C ATOM 570 C ILE A 35 -7.065 -2.056 0.348 1.00 21.32 C ATOM 571 O ILE A 35 -6.261 -2.864 -0.108 1.00 25.23 O ATOM 572 CB ILE A 35 -6.752 -0.960 2.580 1.00 74.31 C ATOM 573 CG1 ILE A 35 -6.243 0.286 3.308 1.00 72.54 C ATOM 574 CG2 ILE A 35 -6.010 -2.199 3.064 1.00 14.24 C ATOM 575 CD1 ILE A 35 -6.341 0.194 4.814 1.00 74.21 C ATOM 0 H ILE A 35 -7.955 0.786 1.235 1.00 2.14 H new ATOM 0 HA ILE A 35 -5.530 -0.632 0.837 1.00 25.55 H new ATOM 0 HB ILE A 35 -7.812 -1.087 2.802 1.00 74.31 H new ATOM 0 HG12 ILE A 35 -5.203 0.458 3.031 1.00 72.54 H new ATOM 0 HG13 ILE A 35 -6.811 1.152 2.968 1.00 72.54 H new ATOM 0 HG21 ILE A 35 -6.138 -2.302 4.141 1.00 14.24 H new ATOM 0 HG22 ILE A 35 -6.410 -3.081 2.565 1.00 14.24 H new ATOM 0 HG23 ILE A 35 -4.949 -2.101 2.833 1.00 14.24 H new ATOM 0 HD11 ILE A 35 -5.962 1.113 5.260 1.00 74.21 H new ATOM 0 HD12 ILE A 35 -7.383 0.053 5.103 1.00 74.21 H new ATOM 0 HD13 ILE A 35 -5.749 -0.651 5.166 1.00 74.21 H new ATOM 587 N GLU A 36 -8.378 -2.207 0.242 1.00 30.10 N ATOM 588 CA GLU A 36 -8.974 -3.405 -0.349 1.00 21.34 C ATOM 589 C GLU A 36 -8.670 -3.528 -1.841 1.00 31.33 C ATOM 590 O GLU A 36 -8.585 -4.635 -2.371 1.00 2.23 O ATOM 591 CB GLU A 36 -10.490 -3.406 -0.135 1.00 24.10 C ATOM 592 CG GLU A 36 -10.902 -3.566 1.318 1.00 52.11 C ATOM 593 CD GLU A 36 -10.366 -4.843 1.929 1.00 24.11 C ATOM 594 OE1 GLU A 36 -10.712 -5.934 1.439 1.00 72.32 O ATOM 595 OE2 GLU A 36 -9.591 -4.758 2.902 1.00 73.14 O ATOM 0 H GLU A 36 -9.056 -1.514 0.558 1.00 30.10 H new ATOM 0 HA GLU A 36 -8.528 -4.263 0.154 1.00 21.34 H new ATOM 0 HB2 GLU A 36 -10.903 -2.473 -0.520 1.00 24.10 H new ATOM 0 HB3 GLU A 36 -10.930 -4.214 -0.719 1.00 24.10 H new ATOM 0 HG2 GLU A 36 -10.542 -2.712 1.892 1.00 52.11 H new ATOM 0 HG3 GLU A 36 -11.990 -3.561 1.388 1.00 52.11 H new ATOM 602 N LYS A 37 -8.520 -2.401 -2.519 1.00 0.24 N ATOM 603 CA LYS A 37 -8.321 -2.411 -3.962 1.00 41.31 C ATOM 604 C LYS A 37 -6.903 -2.016 -4.360 1.00 15.22 C ATOM 605 O LYS A 37 -6.197 -2.779 -5.017 1.00 4.23 O ATOM 606 CB LYS A 37 -9.305 -1.470 -4.622 1.00 3.04 C ATOM 607 CG LYS A 37 -9.240 -1.562 -6.121 1.00 54.31 C ATOM 608 CD LYS A 37 -9.381 -0.211 -6.756 1.00 12.30 C ATOM 609 CE LYS A 37 -8.530 -0.127 -7.995 1.00 64.13 C ATOM 610 NZ LYS A 37 -7.080 -0.141 -7.673 1.00 51.04 N ATOM 0 H LYS A 37 -8.532 -1.472 -2.098 1.00 0.24 H new ATOM 0 HA LYS A 37 -8.486 -3.434 -4.300 1.00 41.31 H new ATOM 0 HB2 LYS A 37 -10.315 -1.705 -4.286 1.00 3.04 H new ATOM 0 HB3 LYS A 37 -9.095 -0.447 -4.310 1.00 3.04 H new ATOM 0 HG2 LYS A 37 -8.292 -2.009 -6.419 1.00 54.31 H new ATOM 0 HG3 LYS A 37 -10.030 -2.220 -6.482 1.00 54.31 H new ATOM 0 HD2 LYS A 37 -10.425 -0.028 -7.010 1.00 12.30 H new ATOM 0 HD3 LYS A 37 -9.084 0.564 -6.049 1.00 12.30 H new ATOM 0 HE2 LYS A 37 -8.764 -0.964 -8.653 1.00 64.13 H new ATOM 0 HE3 LYS A 37 -8.772 0.785 -8.540 1.00 64.13 H new ATOM 0 HZ1 LYS A 37 -6.535 0.137 -8.514 1.00 51.04 H new ATOM 0 HZ2 LYS A 37 -6.890 0.528 -6.900 1.00 51.04 H new ATOM 0 HZ3 LYS A 37 -6.799 -1.098 -7.379 1.00 51.04 H new ATOM 624 N ASP A 38 -6.498 -0.825 -3.966 1.00 24.30 N ATOM 625 CA ASP A 38 -5.242 -0.248 -4.430 1.00 52.41 C ATOM 626 C ASP A 38 -4.040 -0.833 -3.691 1.00 43.10 C ATOM 627 O ASP A 38 -3.038 -1.184 -4.310 1.00 23.43 O ATOM 628 CB ASP A 38 -5.285 1.274 -4.270 1.00 33.23 C ATOM 629 CG ASP A 38 -6.522 1.881 -4.905 1.00 24.11 C ATOM 630 OD1 ASP A 38 -6.590 1.938 -6.150 1.00 3.14 O ATOM 631 OD2 ASP A 38 -7.453 2.269 -4.162 1.00 10.14 O ATOM 0 H ASP A 38 -7.021 -0.231 -3.322 1.00 24.30 H new ATOM 0 HA ASP A 38 -5.123 -0.498 -5.484 1.00 52.41 H new ATOM 0 HB2 ASP A 38 -5.261 1.527 -3.210 1.00 33.23 H new ATOM 0 HB3 ASP A 38 -4.395 1.711 -4.722 1.00 33.23 H new ATOM 636 N ILE A 39 -4.143 -0.946 -2.375 1.00 60.32 N ATOM 637 CA ILE A 39 -3.057 -1.491 -1.568 1.00 73.15 C ATOM 638 C ILE A 39 -2.969 -3.009 -1.722 1.00 34.24 C ATOM 639 O ILE A 39 -1.879 -3.583 -1.740 1.00 22.24 O ATOM 640 CB ILE A 39 -3.226 -1.116 -0.077 1.00 54.22 C ATOM 641 CG1 ILE A 39 -3.118 0.405 0.093 1.00 54.53 C ATOM 642 CG2 ILE A 39 -2.191 -1.827 0.786 1.00 52.33 C ATOM 643 CD1 ILE A 39 -3.250 0.878 1.524 1.00 61.45 C ATOM 0 H ILE A 39 -4.967 -0.668 -1.842 1.00 60.32 H new ATOM 0 HA ILE A 39 -2.128 -1.051 -1.930 1.00 73.15 H new ATOM 0 HB ILE A 39 -4.213 -1.440 0.253 1.00 54.22 H new ATOM 0 HG12 ILE A 39 -2.157 0.736 -0.301 1.00 54.53 H new ATOM 0 HG13 ILE A 39 -3.891 0.883 -0.509 1.00 54.53 H new ATOM 0 HG21 ILE A 39 -2.332 -1.546 1.830 1.00 52.33 H new ATOM 0 HG22 ILE A 39 -2.309 -2.906 0.682 1.00 52.33 H new ATOM 0 HG23 ILE A 39 -1.190 -1.539 0.465 1.00 52.33 H new ATOM 0 HD11 ILE A 39 -3.162 1.964 1.558 1.00 61.45 H new ATOM 0 HD12 ILE A 39 -4.222 0.580 1.918 1.00 61.45 H new ATOM 0 HD13 ILE A 39 -2.461 0.431 2.129 1.00 61.45 H new ATOM 655 N LYS A 40 -4.119 -3.661 -1.848 1.00 54.30 N ATOM 656 CA LYS A 40 -4.155 -5.107 -2.026 1.00 74.23 C ATOM 657 C LYS A 40 -4.815 -5.480 -3.355 1.00 0.03 C ATOM 658 O LYS A 40 -5.979 -5.882 -3.381 1.00 24.32 O ATOM 659 CB LYS A 40 -4.916 -5.777 -0.877 1.00 54.01 C ATOM 660 CG LYS A 40 -4.350 -5.488 0.505 1.00 41.31 C ATOM 661 CD LYS A 40 -5.177 -6.156 1.594 1.00 13.41 C ATOM 662 CE LYS A 40 -6.598 -5.614 1.634 1.00 35.54 C ATOM 663 NZ LYS A 40 -7.448 -6.345 2.612 1.00 51.21 N ATOM 0 H LYS A 40 -5.035 -3.213 -1.830 1.00 54.30 H new ATOM 0 HA LYS A 40 -3.124 -5.462 -2.030 1.00 74.23 H new ATOM 0 HB2 LYS A 40 -5.955 -5.450 -0.906 1.00 54.01 H new ATOM 0 HB3 LYS A 40 -4.917 -6.855 -1.038 1.00 54.01 H new ATOM 0 HG2 LYS A 40 -3.320 -5.841 0.559 1.00 41.31 H new ATOM 0 HG3 LYS A 40 -4.327 -4.411 0.673 1.00 41.31 H new ATOM 0 HD2 LYS A 40 -5.203 -7.232 1.423 1.00 13.41 H new ATOM 0 HD3 LYS A 40 -4.700 -5.998 2.561 1.00 13.41 H new ATOM 0 HE2 LYS A 40 -6.575 -4.556 1.894 1.00 35.54 H new ATOM 0 HE3 LYS A 40 -7.042 -5.688 0.641 1.00 35.54 H new ATOM 0 HZ1 LYS A 40 -8.153 -5.694 3.014 1.00 51.21 H new ATOM 0 HZ2 LYS A 40 -7.934 -7.129 2.132 1.00 51.21 H new ATOM 0 HZ3 LYS A 40 -6.852 -6.723 3.376 1.00 51.21 H new ATOM 677 N PRO A 41 -4.097 -5.327 -4.480 1.00 51.33 N ATOM 678 CA PRO A 41 -4.623 -5.686 -5.797 1.00 13.15 C ATOM 679 C PRO A 41 -4.600 -7.196 -6.039 1.00 15.24 C ATOM 680 O PRO A 41 -5.592 -7.780 -6.477 1.00 51.22 O ATOM 681 CB PRO A 41 -3.679 -4.968 -6.764 1.00 13.23 C ATOM 682 CG PRO A 41 -2.389 -4.848 -6.025 1.00 12.14 C ATOM 683 CD PRO A 41 -2.735 -4.766 -4.560 1.00 64.11 C ATOM 0 HA PRO A 41 -5.668 -5.399 -5.913 1.00 13.15 H new ATOM 0 HB2 PRO A 41 -3.554 -5.534 -7.687 1.00 13.23 H new ATOM 0 HB3 PRO A 41 -4.068 -3.988 -7.041 1.00 13.23 H new ATOM 0 HG2 PRO A 41 -1.748 -5.707 -6.224 1.00 12.14 H new ATOM 0 HG3 PRO A 41 -1.842 -3.961 -6.344 1.00 12.14 H new ATOM 0 HD2 PRO A 41 -2.033 -5.336 -3.952 1.00 64.11 H new ATOM 0 HD3 PRO A 41 -2.706 -3.737 -4.200 1.00 64.11 H new ATOM 691 N ALA A 42 -3.465 -7.818 -5.745 1.00 22.03 N ATOM 692 CA ALA A 42 -3.289 -9.251 -5.943 1.00 34.31 C ATOM 693 C ALA A 42 -2.053 -9.727 -5.201 1.00 24.10 C ATOM 694 O ALA A 42 -1.353 -10.639 -5.644 1.00 54.25 O ATOM 695 CB ALA A 42 -3.176 -9.573 -7.429 1.00 23.22 C ATOM 0 H ALA A 42 -2.645 -7.346 -5.365 1.00 22.03 H new ATOM 0 HA ALA A 42 -4.160 -9.772 -5.546 1.00 34.31 H new ATOM 0 HB1 ALA A 42 -3.045 -10.647 -7.560 1.00 23.22 H new ATOM 0 HB2 ALA A 42 -4.084 -9.253 -7.941 1.00 23.22 H new ATOM 0 HB3 ALA A 42 -2.318 -9.049 -7.851 1.00 23.22 H new ATOM 701 N ILE A 43 -1.797 -9.105 -4.058 1.00 70.33 N ATOM 702 CA ILE A 43 -0.595 -9.387 -3.282 1.00 4.21 C ATOM 703 C ILE A 43 -0.897 -9.416 -1.787 1.00 12.14 C ATOM 704 O ILE A 43 0.018 -9.464 -0.968 1.00 21.34 O ATOM 705 CB ILE A 43 0.508 -8.335 -3.542 1.00 21.45 C ATOM 706 CG1 ILE A 43 -0.060 -6.923 -3.383 1.00 50.12 C ATOM 707 CG2 ILE A 43 1.115 -8.523 -4.927 1.00 62.30 C ATOM 708 CD1 ILE A 43 0.986 -5.832 -3.420 1.00 72.31 C ATOM 0 H ILE A 43 -2.407 -8.399 -3.646 1.00 70.33 H new ATOM 0 HA ILE A 43 -0.241 -10.367 -3.603 1.00 4.21 H new ATOM 0 HB ILE A 43 1.301 -8.472 -2.806 1.00 21.45 H new ATOM 0 HG12 ILE A 43 -0.786 -6.743 -4.176 1.00 50.12 H new ATOM 0 HG13 ILE A 43 -0.599 -6.864 -2.437 1.00 50.12 H new ATOM 0 HG21 ILE A 43 1.889 -7.773 -5.090 1.00 62.30 H new ATOM 0 HG22 ILE A 43 1.553 -9.518 -5.000 1.00 62.30 H new ATOM 0 HG23 ILE A 43 0.338 -8.412 -5.683 1.00 62.30 H new ATOM 0 HD11 ILE A 43 0.504 -4.862 -3.301 1.00 72.31 H new ATOM 0 HD12 ILE A 43 1.700 -5.985 -2.610 1.00 72.31 H new ATOM 0 HD13 ILE A 43 1.510 -5.862 -4.376 1.00 72.31 H new ATOM 720 N GLY A 44 -2.184 -9.409 -1.449 1.00 34.13 N ATOM 721 CA GLY A 44 -2.605 -9.337 -0.058 1.00 55.33 C ATOM 722 C GLY A 44 -1.965 -10.390 0.825 1.00 55.22 C ATOM 723 O GLY A 44 -1.399 -10.068 1.869 1.00 30.34 O ATOM 0 H GLY A 44 -2.950 -9.452 -2.121 1.00 34.13 H new ATOM 0 HA2 GLY A 44 -2.364 -8.349 0.335 1.00 55.33 H new ATOM 0 HA3 GLY A 44 -3.689 -9.444 -0.009 1.00 55.33 H new ATOM 727 N SER A 45 -2.029 -11.643 0.402 1.00 1.10 N ATOM 728 CA SER A 45 -1.492 -12.736 1.199 1.00 41.51 C ATOM 729 C SER A 45 -0.140 -13.181 0.640 1.00 73.02 C ATOM 730 O SER A 45 0.271 -14.331 0.796 1.00 5.45 O ATOM 731 CB SER A 45 -2.482 -13.907 1.221 1.00 63.21 C ATOM 732 OG SER A 45 -2.163 -14.838 2.245 1.00 74.05 O ATOM 0 H SER A 45 -2.445 -11.928 -0.484 1.00 1.10 H new ATOM 0 HA SER A 45 -1.344 -12.390 2.222 1.00 41.51 H new ATOM 0 HB2 SER A 45 -3.492 -13.528 1.374 1.00 63.21 H new ATOM 0 HB3 SER A 45 -2.473 -14.410 0.254 1.00 63.21 H new ATOM 0 HG SER A 45 -1.215 -15.078 2.185 1.00 74.05 H new ATOM 738 N LEU A 46 0.565 -12.250 0.013 1.00 41.21 N ATOM 739 CA LEU A 46 1.856 -12.546 -0.585 1.00 71.21 C ATOM 740 C LEU A 46 2.979 -12.025 0.311 1.00 13.43 C ATOM 741 O LEU A 46 3.972 -11.484 -0.167 1.00 11.34 O ATOM 742 CB LEU A 46 1.936 -11.926 -1.985 1.00 55.44 C ATOM 743 CG LEU A 46 3.111 -12.391 -2.848 1.00 71.23 C ATOM 744 CD1 LEU A 46 3.065 -13.899 -3.051 1.00 45.43 C ATOM 745 CD2 LEU A 46 3.094 -11.670 -4.186 1.00 3.24 C ATOM 0 H LEU A 46 0.263 -11.282 -0.094 1.00 41.21 H new ATOM 0 HA LEU A 46 1.971 -13.626 -0.681 1.00 71.21 H new ATOM 0 HB2 LEU A 46 1.009 -12.148 -2.515 1.00 55.44 H new ATOM 0 HB3 LEU A 46 1.992 -10.842 -1.880 1.00 55.44 H new ATOM 0 HG LEU A 46 4.040 -12.147 -2.332 1.00 71.23 H new ATOM 0 HD11 LEU A 46 3.909 -14.209 -3.667 1.00 45.43 H new ATOM 0 HD12 LEU A 46 3.119 -14.398 -2.084 1.00 45.43 H new ATOM 0 HD13 LEU A 46 2.134 -14.171 -3.548 1.00 45.43 H new ATOM 0 HD21 LEU A 46 3.934 -12.008 -4.792 1.00 3.24 H new ATOM 0 HD22 LEU A 46 2.161 -11.888 -4.705 1.00 3.24 H new ATOM 0 HD23 LEU A 46 3.175 -10.596 -4.021 1.00 3.24 H new ATOM 757 N LYS A 47 2.804 -12.216 1.622 1.00 51.14 N ATOM 758 CA LYS A 47 3.776 -11.802 2.637 1.00 64.45 C ATOM 759 C LYS A 47 4.073 -10.295 2.591 1.00 23.31 C ATOM 760 O LYS A 47 3.646 -9.586 1.688 1.00 40.54 O ATOM 761 CB LYS A 47 5.075 -12.584 2.457 1.00 30.30 C ATOM 762 CG LYS A 47 5.946 -12.612 3.695 1.00 2.11 C ATOM 763 CD LYS A 47 5.537 -13.727 4.634 1.00 71.01 C ATOM 764 CE LYS A 47 5.801 -15.088 4.010 1.00 20.03 C ATOM 765 NZ LYS A 47 7.204 -15.214 3.517 1.00 23.23 N ATOM 0 H LYS A 47 1.976 -12.666 2.012 1.00 51.14 H new ATOM 0 HA LYS A 47 3.335 -12.017 3.610 1.00 64.45 H new ATOM 0 HB2 LYS A 47 4.835 -13.608 2.169 1.00 30.30 H new ATOM 0 HB3 LYS A 47 5.641 -12.146 1.635 1.00 30.30 H new ATOM 0 HG2 LYS A 47 6.989 -12.743 3.405 1.00 2.11 H new ATOM 0 HG3 LYS A 47 5.876 -11.655 4.212 1.00 2.11 H new ATOM 0 HD2 LYS A 47 6.088 -13.639 5.571 1.00 71.01 H new ATOM 0 HD3 LYS A 47 4.479 -13.633 4.877 1.00 71.01 H new ATOM 0 HE2 LYS A 47 5.603 -15.868 4.745 1.00 20.03 H new ATOM 0 HE3 LYS A 47 5.110 -15.248 3.182 1.00 20.03 H new ATOM 0 HZ1 LYS A 47 7.420 -16.215 3.336 1.00 23.23 H new ATOM 0 HZ2 LYS A 47 7.313 -14.671 2.636 1.00 23.23 H new ATOM 0 HZ3 LYS A 47 7.859 -14.843 4.235 1.00 23.23 H new ATOM 779 N VAL A 48 4.763 -9.804 3.613 1.00 65.22 N ATOM 780 CA VAL A 48 5.312 -8.453 3.580 1.00 54.21 C ATOM 781 C VAL A 48 6.664 -8.447 2.860 1.00 5.13 C ATOM 782 O VAL A 48 7.052 -7.460 2.241 1.00 31.15 O ATOM 783 CB VAL A 48 5.482 -7.864 4.998 1.00 21.40 C ATOM 784 CG1 VAL A 48 6.086 -6.471 4.937 1.00 4.04 C ATOM 785 CG2 VAL A 48 4.150 -7.826 5.724 1.00 24.30 C ATOM 0 H VAL A 48 4.956 -10.319 4.472 1.00 65.22 H new ATOM 0 HA VAL A 48 4.601 -7.829 3.038 1.00 54.21 H new ATOM 0 HB VAL A 48 6.163 -8.511 5.551 1.00 21.40 H new ATOM 0 HG11 VAL A 48 6.196 -6.077 5.948 1.00 4.04 H new ATOM 0 HG12 VAL A 48 7.064 -6.519 4.458 1.00 4.04 H new ATOM 0 HG13 VAL A 48 5.432 -5.816 4.362 1.00 4.04 H new ATOM 0 HG21 VAL A 48 4.291 -7.408 6.721 1.00 24.30 H new ATOM 0 HG22 VAL A 48 3.449 -7.205 5.166 1.00 24.30 H new ATOM 0 HG23 VAL A 48 3.752 -8.837 5.808 1.00 24.30 H new ATOM 795 N GLU A 49 7.376 -9.564 2.946 1.00 54.22 N ATOM 796 CA GLU A 49 8.711 -9.666 2.363 1.00 52.20 C ATOM 797 C GLU A 49 8.634 -10.098 0.902 1.00 62.54 C ATOM 798 O GLU A 49 9.527 -9.797 0.108 1.00 43.14 O ATOM 799 CB GLU A 49 9.556 -10.670 3.155 1.00 12.13 C ATOM 800 CG GLU A 49 9.127 -12.110 2.941 1.00 5.44 C ATOM 801 CD GLU A 49 9.847 -13.087 3.837 1.00 24.54 C ATOM 802 OE1 GLU A 49 11.081 -13.201 3.725 1.00 20.53 O ATOM 803 OE2 GLU A 49 9.170 -13.762 4.641 1.00 1.21 O ATOM 0 H GLU A 49 7.053 -10.412 3.413 1.00 54.22 H new ATOM 0 HA GLU A 49 9.179 -8.683 2.410 1.00 52.20 H new ATOM 0 HB2 GLU A 49 10.602 -10.562 2.867 1.00 12.13 H new ATOM 0 HB3 GLU A 49 9.492 -10.432 4.217 1.00 12.13 H new ATOM 0 HG2 GLU A 49 8.054 -12.192 3.114 1.00 5.44 H new ATOM 0 HG3 GLU A 49 9.304 -12.384 1.901 1.00 5.44 H new ATOM 810 N ASP A 50 7.559 -10.794 0.555 1.00 41.20 N ATOM 811 CA ASP A 50 7.417 -11.371 -0.776 1.00 3.33 C ATOM 812 C ASP A 50 6.787 -10.378 -1.743 1.00 62.12 C ATOM 813 O ASP A 50 6.794 -10.592 -2.959 1.00 63.32 O ATOM 814 CB ASP A 50 6.594 -12.663 -0.724 1.00 73.41 C ATOM 815 CG ASP A 50 7.392 -13.851 -0.227 1.00 24.21 C ATOM 816 OD1 ASP A 50 8.006 -14.550 -1.060 1.00 34.24 O ATOM 817 OD2 ASP A 50 7.398 -14.110 0.998 1.00 21.15 O ATOM 0 H ASP A 50 6.771 -10.973 1.178 1.00 41.20 H new ATOM 0 HA ASP A 50 8.416 -11.611 -1.141 1.00 3.33 H new ATOM 0 HB2 ASP A 50 5.732 -12.513 -0.074 1.00 73.41 H new ATOM 0 HB3 ASP A 50 6.208 -12.882 -1.719 1.00 73.41 H new ATOM 822 N VAL A 51 6.240 -9.288 -1.214 1.00 3.41 N ATOM 823 CA VAL A 51 5.728 -8.228 -2.066 1.00 2.31 C ATOM 824 C VAL A 51 6.876 -7.350 -2.556 1.00 45.22 C ATOM 825 O VAL A 51 7.216 -6.329 -1.962 1.00 21.44 O ATOM 826 CB VAL A 51 4.630 -7.372 -1.385 1.00 52.03 C ATOM 827 CG1 VAL A 51 3.345 -8.171 -1.261 1.00 4.23 C ATOM 828 CG2 VAL A 51 5.070 -6.879 -0.017 1.00 74.32 C ATOM 0 H VAL A 51 6.142 -9.119 -0.213 1.00 3.41 H new ATOM 0 HA VAL A 51 5.249 -8.710 -2.918 1.00 2.31 H new ATOM 0 HB VAL A 51 4.454 -6.499 -2.013 1.00 52.03 H new ATOM 0 HG11 VAL A 51 2.581 -7.559 -0.781 1.00 4.23 H new ATOM 0 HG12 VAL A 51 3.003 -8.466 -2.253 1.00 4.23 H new ATOM 0 HG13 VAL A 51 3.527 -9.062 -0.660 1.00 4.23 H new ATOM 0 HG21 VAL A 51 4.274 -6.283 0.428 1.00 74.32 H new ATOM 0 HG22 VAL A 51 5.287 -7.733 0.625 1.00 74.32 H new ATOM 0 HG23 VAL A 51 5.966 -6.267 -0.122 1.00 74.32 H new ATOM 838 N LYS A 52 7.505 -7.805 -3.624 1.00 31.52 N ATOM 839 CA LYS A 52 8.647 -7.120 -4.209 1.00 72.23 C ATOM 840 C LYS A 52 8.225 -5.806 -4.866 1.00 21.25 C ATOM 841 O LYS A 52 7.071 -5.655 -5.269 1.00 31.42 O ATOM 842 CB LYS A 52 9.323 -8.051 -5.214 1.00 42.32 C ATOM 843 CG LYS A 52 9.805 -9.340 -4.571 1.00 55.42 C ATOM 844 CD LYS A 52 10.391 -10.311 -5.579 1.00 5.41 C ATOM 845 CE LYS A 52 10.953 -11.537 -4.880 1.00 11.44 C ATOM 846 NZ LYS A 52 11.383 -12.589 -5.837 1.00 23.05 N ATOM 0 H LYS A 52 7.240 -8.660 -4.112 1.00 31.52 H new ATOM 0 HA LYS A 52 9.357 -6.867 -3.422 1.00 72.23 H new ATOM 0 HB2 LYS A 52 8.623 -8.287 -6.015 1.00 42.32 H new ATOM 0 HB3 LYS A 52 10.169 -7.537 -5.671 1.00 42.32 H new ATOM 0 HG2 LYS A 52 10.557 -9.107 -3.817 1.00 55.42 H new ATOM 0 HG3 LYS A 52 8.973 -9.817 -4.054 1.00 55.42 H new ATOM 0 HD2 LYS A 52 9.622 -10.612 -6.290 1.00 5.41 H new ATOM 0 HD3 LYS A 52 11.178 -9.819 -6.150 1.00 5.41 H new ATOM 0 HE2 LYS A 52 11.802 -11.243 -4.263 1.00 11.44 H new ATOM 0 HE3 LYS A 52 10.198 -11.947 -4.209 1.00 11.44 H new ATOM 0 HZ1 LYS A 52 11.759 -13.404 -5.311 1.00 23.05 H new ATOM 0 HZ2 LYS A 52 10.569 -12.891 -6.409 1.00 23.05 H new ATOM 0 HZ3 LYS A 52 12.123 -12.209 -6.461 1.00 23.05 H new ATOM 860 N PRO A 53 9.169 -4.846 -4.972 1.00 22.15 N ATOM 861 CA PRO A 53 8.910 -3.484 -5.465 1.00 34.35 C ATOM 862 C PRO A 53 7.969 -3.407 -6.667 1.00 12.14 C ATOM 863 O PRO A 53 7.044 -2.594 -6.675 1.00 42.40 O ATOM 864 CB PRO A 53 10.303 -2.995 -5.850 1.00 50.25 C ATOM 865 CG PRO A 53 11.209 -3.671 -4.883 1.00 23.22 C ATOM 866 CD PRO A 53 10.590 -5.016 -4.596 1.00 33.44 C ATOM 0 HA PRO A 53 8.401 -2.887 -4.708 1.00 34.35 H new ATOM 0 HB2 PRO A 53 10.548 -3.261 -6.878 1.00 50.25 H new ATOM 0 HB3 PRO A 53 10.379 -1.910 -5.775 1.00 50.25 H new ATOM 0 HG2 PRO A 53 12.209 -3.784 -5.301 1.00 23.22 H new ATOM 0 HG3 PRO A 53 11.309 -3.086 -3.969 1.00 23.22 H new ATOM 0 HD2 PRO A 53 11.065 -5.806 -5.178 1.00 33.44 H new ATOM 0 HD3 PRO A 53 10.695 -5.287 -3.546 1.00 33.44 H new ATOM 874 N ARG A 54 8.184 -4.254 -7.672 1.00 44.32 N ATOM 875 CA ARG A 54 7.399 -4.173 -8.903 1.00 54.24 C ATOM 876 C ARG A 54 5.914 -4.424 -8.647 1.00 1.21 C ATOM 877 O ARG A 54 5.072 -3.983 -9.419 1.00 63.32 O ATOM 878 CB ARG A 54 7.900 -5.155 -9.966 1.00 35.12 C ATOM 879 CG ARG A 54 7.632 -6.613 -9.637 1.00 41.33 C ATOM 880 CD ARG A 54 7.449 -7.437 -10.902 1.00 55.10 C ATOM 881 NE ARG A 54 6.265 -7.022 -11.658 1.00 72.31 N ATOM 882 CZ ARG A 54 6.100 -7.228 -12.966 1.00 72.10 C ATOM 883 NH1 ARG A 54 7.038 -7.843 -13.677 1.00 72.31 N ATOM 884 NH2 ARG A 54 4.992 -6.813 -13.565 1.00 0.03 N ATOM 0 H ARG A 54 8.885 -4.995 -7.660 1.00 44.32 H new ATOM 0 HA ARG A 54 7.527 -3.157 -9.275 1.00 54.24 H new ATOM 0 HB2 ARG A 54 7.427 -4.916 -10.918 1.00 35.12 H new ATOM 0 HB3 ARG A 54 8.973 -5.015 -10.098 1.00 35.12 H new ATOM 0 HG2 ARG A 54 8.461 -7.015 -9.054 1.00 41.33 H new ATOM 0 HG3 ARG A 54 6.739 -6.691 -9.017 1.00 41.33 H new ATOM 0 HD2 ARG A 54 8.334 -7.338 -11.531 1.00 55.10 H new ATOM 0 HD3 ARG A 54 7.361 -8.491 -10.639 1.00 55.10 H new ATOM 0 HE ARG A 54 5.519 -6.545 -11.152 1.00 72.31 H new ATOM 0 HH11 ARG A 54 7.894 -8.163 -13.224 1.00 72.31 H new ATOM 0 HH12 ARG A 54 6.902 -7.996 -14.676 1.00 72.31 H new ATOM 0 HH21 ARG A 54 4.268 -6.338 -13.026 1.00 0.03 H new ATOM 0 HH22 ARG A 54 4.864 -6.969 -14.565 1.00 0.03 H new ATOM 898 N HIS A 55 5.593 -5.123 -7.561 1.00 70.32 N ATOM 899 CA HIS A 55 4.198 -5.423 -7.236 1.00 31.43 C ATOM 900 C HIS A 55 3.457 -4.128 -6.938 1.00 65.25 C ATOM 901 O HIS A 55 2.295 -3.957 -7.303 1.00 44.13 O ATOM 902 CB HIS A 55 4.091 -6.356 -6.026 1.00 11.32 C ATOM 903 CG HIS A 55 4.785 -7.678 -6.175 1.00 33.41 C ATOM 904 ND1 HIS A 55 5.527 -8.035 -7.278 1.00 45.03 N ATOM 905 CD2 HIS A 55 4.868 -8.717 -5.320 1.00 75.54 C ATOM 906 CE1 HIS A 55 6.041 -9.237 -7.091 1.00 3.04 C ATOM 907 NE2 HIS A 55 5.653 -9.676 -5.909 1.00 4.10 N ATOM 0 H HIS A 55 6.273 -5.490 -6.895 1.00 70.32 H new ATOM 0 HA HIS A 55 3.752 -5.925 -8.095 1.00 31.43 H new ATOM 0 HB2 HIS A 55 4.502 -5.844 -5.156 1.00 11.32 H new ATOM 0 HB3 HIS A 55 3.036 -6.539 -5.820 1.00 11.32 H new ATOM 0 HD2 HIS A 55 4.401 -8.783 -4.348 1.00 75.54 H new ATOM 0 HE1 HIS A 55 6.672 -9.770 -7.787 1.00 3.04 H new ATOM 0 HE2 HIS A 55 5.896 -10.579 -5.501 1.00 4.10 H new ATOM 916 N ILE A 56 4.152 -3.222 -6.265 1.00 52.43 N ATOM 917 CA ILE A 56 3.614 -1.902 -5.966 1.00 71.43 C ATOM 918 C ILE A 56 3.482 -1.092 -7.254 1.00 22.21 C ATOM 919 O ILE A 56 2.492 -0.392 -7.469 1.00 55.04 O ATOM 920 CB ILE A 56 4.518 -1.148 -4.962 1.00 74.15 C ATOM 921 CG1 ILE A 56 4.716 -1.979 -3.689 1.00 32.11 C ATOM 922 CG2 ILE A 56 3.934 0.216 -4.620 1.00 21.24 C ATOM 923 CD1 ILE A 56 3.424 -2.301 -2.960 1.00 20.52 C ATOM 0 H ILE A 56 5.097 -3.379 -5.913 1.00 52.43 H new ATOM 0 HA ILE A 56 2.631 -2.028 -5.513 1.00 71.43 H new ATOM 0 HB ILE A 56 5.489 -0.993 -5.432 1.00 74.15 H new ATOM 0 HG12 ILE A 56 5.217 -2.911 -3.949 1.00 32.11 H new ATOM 0 HG13 ILE A 56 5.379 -1.439 -3.013 1.00 32.11 H new ATOM 0 HG21 ILE A 56 4.589 0.725 -3.913 1.00 21.24 H new ATOM 0 HG22 ILE A 56 3.847 0.813 -5.528 1.00 21.24 H new ATOM 0 HG23 ILE A 56 2.948 0.088 -4.174 1.00 21.24 H new ATOM 0 HD11 ILE A 56 3.645 -2.891 -2.070 1.00 20.52 H new ATOM 0 HD12 ILE A 56 2.931 -1.374 -2.667 1.00 20.52 H new ATOM 0 HD13 ILE A 56 2.767 -2.870 -3.618 1.00 20.52 H new ATOM 935 N ASP A 57 4.484 -1.215 -8.118 1.00 4.11 N ATOM 936 CA ASP A 57 4.474 -0.548 -9.419 1.00 34.21 C ATOM 937 C ASP A 57 3.307 -1.038 -10.261 1.00 43.44 C ATOM 938 O ASP A 57 2.636 -0.252 -10.925 1.00 14.01 O ATOM 939 CB ASP A 57 5.791 -0.805 -10.160 1.00 33.41 C ATOM 940 CG ASP A 57 5.750 -0.363 -11.612 1.00 4.12 C ATOM 941 OD1 ASP A 57 5.783 0.854 -11.875 1.00 23.12 O ATOM 942 OD2 ASP A 57 5.708 -1.241 -12.500 1.00 62.13 O ATOM 0 H ASP A 57 5.319 -1.774 -7.941 1.00 4.11 H new ATOM 0 HA ASP A 57 4.363 0.523 -9.252 1.00 34.21 H new ATOM 0 HB2 ASP A 57 6.598 -0.280 -9.649 1.00 33.41 H new ATOM 0 HB3 ASP A 57 6.025 -1.869 -10.116 1.00 33.41 H new ATOM 947 N ASP A 58 3.062 -2.341 -10.195 1.00 15.04 N ATOM 948 CA ASP A 58 2.002 -2.977 -10.971 1.00 12.32 C ATOM 949 C ASP A 58 0.650 -2.315 -10.729 1.00 43.33 C ATOM 950 O ASP A 58 -0.088 -2.039 -11.676 1.00 22.20 O ATOM 951 CB ASP A 58 1.911 -4.475 -10.648 1.00 4.21 C ATOM 952 CG ASP A 58 2.968 -5.300 -11.364 1.00 3.23 C ATOM 953 OD1 ASP A 58 3.141 -5.116 -12.587 1.00 23.54 O ATOM 954 OD2 ASP A 58 3.617 -6.151 -10.718 1.00 11.30 O ATOM 0 H ASP A 58 3.589 -2.985 -9.605 1.00 15.04 H new ATOM 0 HA ASP A 58 2.259 -2.853 -12.023 1.00 12.32 H new ATOM 0 HB2 ASP A 58 2.014 -4.616 -9.572 1.00 4.21 H new ATOM 0 HB3 ASP A 58 0.922 -4.842 -10.924 1.00 4.21 H new ATOM 959 N VAL A 59 0.327 -2.046 -9.471 1.00 13.23 N ATOM 960 CA VAL A 59 -0.963 -1.455 -9.144 1.00 54.53 C ATOM 961 C VAL A 59 -0.956 0.063 -9.346 1.00 41.33 C ATOM 962 O VAL A 59 -1.921 0.622 -9.872 1.00 4.11 O ATOM 963 CB VAL A 59 -1.422 -1.804 -7.706 1.00 15.10 C ATOM 964 CG1 VAL A 59 -0.431 -1.311 -6.661 1.00 1.23 C ATOM 965 CG2 VAL A 59 -2.817 -1.253 -7.442 1.00 40.42 C ATOM 0 H VAL A 59 0.932 -2.225 -8.670 1.00 13.23 H new ATOM 0 HA VAL A 59 -1.683 -1.891 -9.837 1.00 54.53 H new ATOM 0 HB VAL A 59 -1.459 -2.890 -7.625 1.00 15.10 H new ATOM 0 HG11 VAL A 59 -0.790 -1.576 -5.666 1.00 1.23 H new ATOM 0 HG12 VAL A 59 0.540 -1.776 -6.832 1.00 1.23 H new ATOM 0 HG13 VAL A 59 -0.333 -0.228 -6.735 1.00 1.23 H new ATOM 0 HG21 VAL A 59 -3.123 -1.508 -6.427 1.00 40.42 H new ATOM 0 HG22 VAL A 59 -2.808 -0.169 -7.557 1.00 40.42 H new ATOM 0 HG23 VAL A 59 -3.520 -1.687 -8.153 1.00 40.42 H new ATOM 975 N LEU A 60 0.137 0.724 -8.965 1.00 52.25 N ATOM 976 CA LEU A 60 0.236 2.175 -9.105 1.00 10.31 C ATOM 977 C LEU A 60 0.166 2.579 -10.570 1.00 10.30 C ATOM 978 O LEU A 60 -0.402 3.614 -10.911 1.00 31.34 O ATOM 979 CB LEU A 60 1.528 2.706 -8.482 1.00 54.11 C ATOM 980 CG LEU A 60 1.640 2.554 -6.963 1.00 1.35 C ATOM 981 CD1 LEU A 60 2.920 3.205 -6.463 1.00 13.11 C ATOM 982 CD2 LEU A 60 0.431 3.160 -6.270 1.00 74.23 C ATOM 0 H LEU A 60 0.961 0.280 -8.560 1.00 52.25 H new ATOM 0 HA LEU A 60 -0.608 2.614 -8.574 1.00 10.31 H new ATOM 0 HB2 LEU A 60 2.371 2.192 -8.944 1.00 54.11 H new ATOM 0 HB3 LEU A 60 1.623 3.763 -8.732 1.00 54.11 H new ATOM 0 HG LEU A 60 1.671 1.491 -6.725 1.00 1.35 H new ATOM 0 HD11 LEU A 60 2.988 3.090 -5.381 1.00 13.11 H new ATOM 0 HD12 LEU A 60 3.779 2.727 -6.933 1.00 13.11 H new ATOM 0 HD13 LEU A 60 2.912 4.265 -6.715 1.00 13.11 H new ATOM 0 HD21 LEU A 60 0.532 3.040 -5.191 1.00 74.23 H new ATOM 0 HD22 LEU A 60 0.366 4.221 -6.513 1.00 74.23 H new ATOM 0 HD23 LEU A 60 -0.474 2.654 -6.608 1.00 74.23 H new ATOM 994 N LYS A 61 0.747 1.756 -11.430 1.00 21.10 N ATOM 995 CA LYS A 61 0.694 1.962 -12.860 1.00 0.03 C ATOM 996 C LYS A 61 -0.749 1.993 -13.343 1.00 34.30 C ATOM 997 O LYS A 61 -1.172 2.920 -14.021 1.00 1.24 O ATOM 998 CB LYS A 61 1.435 0.816 -13.523 1.00 1.25 C ATOM 999 CG LYS A 61 1.665 0.976 -15.004 1.00 12.32 C ATOM 1000 CD LYS A 61 2.335 -0.264 -15.565 1.00 44.21 C ATOM 1001 CE LYS A 61 3.449 -0.754 -14.652 1.00 31.35 C ATOM 1002 NZ LYS A 61 4.198 -1.899 -15.233 1.00 1.14 N ATOM 0 H LYS A 61 1.269 0.926 -11.150 1.00 21.10 H new ATOM 0 HA LYS A 61 1.154 2.917 -13.115 1.00 0.03 H new ATOM 0 HB2 LYS A 61 2.401 0.695 -13.032 1.00 1.25 H new ATOM 0 HB3 LYS A 61 0.875 -0.104 -13.355 1.00 1.25 H new ATOM 0 HG2 LYS A 61 0.715 1.146 -15.511 1.00 12.32 H new ATOM 0 HG3 LYS A 61 2.287 1.851 -15.191 1.00 12.32 H new ATOM 0 HD2 LYS A 61 1.594 -1.053 -15.693 1.00 44.21 H new ATOM 0 HD3 LYS A 61 2.742 -0.045 -16.552 1.00 44.21 H new ATOM 0 HE2 LYS A 61 4.140 0.066 -14.455 1.00 31.35 H new ATOM 0 HE3 LYS A 61 3.024 -1.051 -13.693 1.00 31.35 H new ATOM 0 HZ1 LYS A 61 4.945 -2.196 -14.573 1.00 1.14 H new ATOM 0 HZ2 LYS A 61 3.546 -2.693 -15.397 1.00 1.14 H new ATOM 0 HZ3 LYS A 61 4.627 -1.611 -16.135 1.00 1.14 H new ATOM 1016 N ALA A 62 -1.494 0.961 -12.989 1.00 51.35 N ATOM 1017 CA ALA A 62 -2.900 0.872 -13.356 1.00 3.31 C ATOM 1018 C ALA A 62 -3.703 2.057 -12.818 1.00 12.45 C ATOM 1019 O ALA A 62 -4.486 2.665 -13.552 1.00 43.53 O ATOM 1020 CB ALA A 62 -3.496 -0.438 -12.863 1.00 52.43 C ATOM 0 H ALA A 62 -1.149 0.169 -12.446 1.00 51.35 H new ATOM 0 HA ALA A 62 -2.957 0.901 -14.444 1.00 3.31 H new ATOM 0 HB1 ALA A 62 -4.548 -0.488 -13.146 1.00 52.43 H new ATOM 0 HB2 ALA A 62 -2.959 -1.274 -13.312 1.00 52.43 H new ATOM 0 HB3 ALA A 62 -3.409 -0.492 -11.778 1.00 52.43 H new ATOM 1026 N VAL A 63 -3.492 2.403 -11.551 1.00 21.23 N ATOM 1027 CA VAL A 63 -4.284 3.451 -10.911 1.00 63.13 C ATOM 1028 C VAL A 63 -3.897 4.847 -11.396 1.00 33.32 C ATOM 1029 O VAL A 63 -4.697 5.774 -11.308 1.00 51.52 O ATOM 1030 CB VAL A 63 -4.200 3.401 -9.366 1.00 32.44 C ATOM 1031 CG1 VAL A 63 -4.676 2.057 -8.849 1.00 31.02 C ATOM 1032 CG2 VAL A 63 -2.794 3.699 -8.869 1.00 32.13 C ATOM 0 H VAL A 63 -2.786 1.978 -10.951 1.00 21.23 H new ATOM 0 HA VAL A 63 -5.314 3.252 -11.205 1.00 63.13 H new ATOM 0 HB VAL A 63 -4.857 4.178 -8.976 1.00 32.44 H new ATOM 0 HG11 VAL A 63 -4.609 2.041 -7.761 1.00 31.02 H new ATOM 0 HG12 VAL A 63 -5.711 1.897 -9.152 1.00 31.02 H new ATOM 0 HG13 VAL A 63 -4.050 1.266 -9.262 1.00 31.02 H new ATOM 0 HG21 VAL A 63 -2.776 3.654 -7.780 1.00 32.13 H new ATOM 0 HG22 VAL A 63 -2.101 2.961 -9.274 1.00 32.13 H new ATOM 0 HG23 VAL A 63 -2.496 4.695 -9.196 1.00 32.13 H new ATOM 1042 N MET A 64 -2.681 5.000 -11.913 1.00 1.53 N ATOM 1043 CA MET A 64 -2.249 6.290 -12.442 1.00 63.13 C ATOM 1044 C MET A 64 -2.860 6.530 -13.822 1.00 75.04 C ATOM 1045 O MET A 64 -2.868 7.654 -14.320 1.00 53.53 O ATOM 1046 CB MET A 64 -0.714 6.398 -12.504 1.00 54.25 C ATOM 1047 CG MET A 64 -0.062 5.547 -13.577 1.00 52.14 C ATOM 1048 SD MET A 64 1.718 5.825 -13.714 1.00 50.31 S ATOM 1049 CE MET A 64 2.277 5.303 -12.091 1.00 35.30 C ATOM 0 H MET A 64 -1.985 4.257 -11.977 1.00 1.53 H new ATOM 0 HA MET A 64 -2.603 7.062 -11.759 1.00 63.13 H new ATOM 0 HB2 MET A 64 -0.443 7.440 -12.672 1.00 54.25 H new ATOM 0 HB3 MET A 64 -0.304 6.114 -11.535 1.00 54.25 H new ATOM 0 HG2 MET A 64 -0.244 4.495 -13.359 1.00 52.14 H new ATOM 0 HG3 MET A 64 -0.532 5.759 -14.537 1.00 52.14 H new ATOM 0 HE1 MET A 64 3.202 4.735 -12.190 1.00 35.30 H new ATOM 0 HE2 MET A 64 2.455 6.180 -11.468 1.00 35.30 H new ATOM 0 HE3 MET A 64 1.514 4.677 -11.627 1.00 35.30 H new ATOM 1059 N LYS A 65 -3.361 5.466 -14.441 1.00 2.53 N ATOM 1060 CA LYS A 65 -4.028 5.577 -15.733 1.00 1.41 C ATOM 1061 C LYS A 65 -5.516 5.759 -15.541 1.00 30.01 C ATOM 1062 O LYS A 65 -6.057 6.853 -15.698 1.00 10.53 O ATOM 1063 CB LYS A 65 -3.845 4.317 -16.561 1.00 61.13 C ATOM 1064 CG LYS A 65 -2.444 3.776 -16.604 1.00 22.13 C ATOM 1065 CD LYS A 65 -2.436 2.446 -17.322 1.00 73.40 C ATOM 1066 CE LYS A 65 -2.750 2.618 -18.799 1.00 31.02 C ATOM 1067 NZ LYS A 65 -2.750 1.328 -19.536 1.00 65.32 N ATOM 0 H LYS A 65 -3.318 4.517 -14.069 1.00 2.53 H new ATOM 0 HA LYS A 65 -3.585 6.433 -16.243 1.00 1.41 H new ATOM 0 HB2 LYS A 65 -4.504 3.544 -16.166 1.00 61.13 H new ATOM 0 HB3 LYS A 65 -4.169 4.522 -17.581 1.00 61.13 H new ATOM 0 HG2 LYS A 65 -1.787 4.480 -17.114 1.00 22.13 H new ATOM 0 HG3 LYS A 65 -2.058 3.656 -15.592 1.00 22.13 H new ATOM 0 HD2 LYS A 65 -1.460 1.974 -17.207 1.00 73.40 H new ATOM 0 HD3 LYS A 65 -3.168 1.779 -16.867 1.00 73.40 H new ATOM 0 HE2 LYS A 65 -3.725 3.094 -18.907 1.00 31.02 H new ATOM 0 HE3 LYS A 65 -2.017 3.288 -19.247 1.00 31.02 H new ATOM 0 HZ1 LYS A 65 -2.969 1.501 -20.538 1.00 65.32 H new ATOM 0 HZ2 LYS A 65 -1.813 0.884 -19.458 1.00 65.32 H new ATOM 0 HZ3 LYS A 65 -3.468 0.695 -19.128 1.00 65.32 H new ATOM 1081 N ARG A 66 -6.163 4.648 -15.201 1.00 3.34 N ATOM 1082 CA ARG A 66 -7.621 4.604 -15.050 1.00 23.45 C ATOM 1083 C ARG A 66 -8.114 5.567 -13.973 1.00 3.25 C ATOM 1084 O ARG A 66 -9.262 6.008 -14.007 1.00 32.42 O ATOM 1085 CB ARG A 66 -8.086 3.180 -14.725 1.00 73.11 C ATOM 1086 CG ARG A 66 -7.582 2.654 -13.389 1.00 1.33 C ATOM 1087 CD ARG A 66 -8.044 1.231 -13.134 1.00 70.11 C ATOM 1088 NE ARG A 66 -9.500 1.133 -13.028 1.00 21.15 N ATOM 1089 CZ ARG A 66 -10.156 -0.001 -12.798 1.00 34.34 C ATOM 1090 NH1 ARG A 66 -9.486 -1.141 -12.661 1.00 3.45 N ATOM 1091 NH2 ARG A 66 -11.482 0.007 -12.712 1.00 74.12 N ATOM 0 H ARG A 66 -5.699 3.757 -15.023 1.00 3.34 H new ATOM 0 HA ARG A 66 -8.051 4.917 -16.001 1.00 23.45 H new ATOM 0 HB2 ARG A 66 -9.176 3.156 -14.726 1.00 73.11 H new ATOM 0 HB3 ARG A 66 -7.752 2.510 -15.517 1.00 73.11 H new ATOM 0 HG2 ARG A 66 -6.493 2.691 -13.371 1.00 1.33 H new ATOM 0 HG3 ARG A 66 -7.936 3.301 -12.586 1.00 1.33 H new ATOM 0 HD2 ARG A 66 -7.696 0.588 -13.942 1.00 70.11 H new ATOM 0 HD3 ARG A 66 -7.589 0.862 -12.215 1.00 70.11 H new ATOM 0 HE ARG A 66 -10.046 1.988 -13.137 1.00 21.15 H new ATOM 0 HH11 ARG A 66 -8.469 -1.146 -12.732 1.00 3.45 H new ATOM 0 HH12 ARG A 66 -9.989 -2.010 -12.485 1.00 3.45 H new ATOM 0 HH21 ARG A 66 -11.995 0.882 -12.822 1.00 74.12 H new ATOM 0 HH22 ARG A 66 -11.987 -0.862 -12.536 1.00 74.12 H new ATOM 1105 N GLY A 67 -7.255 5.883 -13.021 1.00 3.30 N ATOM 1106 CA GLY A 67 -7.624 6.817 -11.982 1.00 4.31 C ATOM 1107 C GLY A 67 -6.954 8.159 -12.169 1.00 15.02 C ATOM 1108 O GLY A 67 -7.386 8.970 -12.988 1.00 71.32 O ATOM 0 H GLY A 67 -6.308 5.510 -12.948 1.00 3.30 H new ATOM 0 HA2 GLY A 67 -8.706 6.948 -11.979 1.00 4.31 H new ATOM 0 HA3 GLY A 67 -7.350 6.406 -11.010 1.00 4.31 H new ATOM 1112 N ALA A 68 -5.877 8.375 -11.428 1.00 14.22 N ATOM 1113 CA ALA A 68 -5.135 9.623 -11.479 1.00 41.11 C ATOM 1114 C ALA A 68 -3.793 9.458 -10.779 1.00 42.11 C ATOM 1115 O ALA A 68 -3.691 8.721 -9.795 1.00 51.21 O ATOM 1116 CB ALA A 68 -5.933 10.749 -10.832 1.00 1.33 C ATOM 0 H ALA A 68 -5.495 7.690 -10.776 1.00 14.22 H new ATOM 0 HA ALA A 68 -4.961 9.883 -12.523 1.00 41.11 H new ATOM 0 HB1 ALA A 68 -5.360 11.675 -10.880 1.00 1.33 H new ATOM 0 HB2 ALA A 68 -6.876 10.878 -11.362 1.00 1.33 H new ATOM 0 HB3 ALA A 68 -6.134 10.500 -9.790 1.00 1.33 H new ATOM 1122 N PRO A 69 -2.743 10.131 -11.279 1.00 53.11 N ATOM 1123 CA PRO A 69 -1.409 10.087 -10.670 1.00 63.10 C ATOM 1124 C PRO A 69 -1.432 10.507 -9.200 1.00 60.11 C ATOM 1125 O PRO A 69 -0.663 9.993 -8.383 1.00 33.00 O ATOM 1126 CB PRO A 69 -0.584 11.076 -11.505 1.00 4.43 C ATOM 1127 CG PRO A 69 -1.574 11.865 -12.293 1.00 62.20 C ATOM 1128 CD PRO A 69 -2.767 10.972 -12.484 1.00 24.45 C ATOM 0 HA PRO A 69 -0.998 9.078 -10.672 1.00 63.10 H new ATOM 0 HB2 PRO A 69 0.013 11.725 -10.865 1.00 4.43 H new ATOM 0 HB3 PRO A 69 0.109 10.550 -12.162 1.00 4.43 H new ATOM 0 HG2 PRO A 69 -1.852 12.778 -11.766 1.00 62.20 H new ATOM 0 HG3 PRO A 69 -1.156 12.166 -13.253 1.00 62.20 H new ATOM 0 HD2 PRO A 69 -3.692 11.544 -12.559 1.00 24.45 H new ATOM 0 HD3 PRO A 69 -2.685 10.377 -13.394 1.00 24.45 H new ATOM 1136 N SER A 70 -2.335 11.424 -8.867 1.00 22.41 N ATOM 1137 CA SER A 70 -2.491 11.895 -7.498 1.00 14.55 C ATOM 1138 C SER A 70 -2.881 10.747 -6.572 1.00 61.14 C ATOM 1139 O SER A 70 -2.412 10.668 -5.439 1.00 11.45 O ATOM 1140 CB SER A 70 -3.546 13.002 -7.447 1.00 24.43 C ATOM 1141 OG SER A 70 -4.738 12.596 -8.102 1.00 61.23 O ATOM 0 H SER A 70 -2.974 11.858 -9.534 1.00 22.41 H new ATOM 0 HA SER A 70 -1.537 12.296 -7.157 1.00 14.55 H new ATOM 0 HB2 SER A 70 -3.764 13.254 -6.409 1.00 24.43 H new ATOM 0 HB3 SER A 70 -3.156 13.904 -7.919 1.00 24.43 H new ATOM 0 HG SER A 70 -5.399 13.318 -8.056 1.00 61.23 H new ATOM 1147 N ILE A 71 -3.727 9.849 -7.071 1.00 2.35 N ATOM 1148 CA ILE A 71 -4.164 8.692 -6.299 1.00 75.40 C ATOM 1149 C ILE A 71 -2.989 7.750 -6.058 1.00 3.13 C ATOM 1150 O ILE A 71 -2.821 7.212 -4.963 1.00 22.05 O ATOM 1151 CB ILE A 71 -5.300 7.926 -7.016 1.00 41.11 C ATOM 1152 CG1 ILE A 71 -6.478 8.864 -7.296 1.00 64.51 C ATOM 1153 CG2 ILE A 71 -5.754 6.731 -6.183 1.00 1.12 C ATOM 1154 CD1 ILE A 71 -7.615 8.206 -8.047 1.00 33.40 C ATOM 0 H ILE A 71 -4.124 9.902 -8.009 1.00 2.35 H new ATOM 0 HA ILE A 71 -4.547 9.057 -5.346 1.00 75.40 H new ATOM 0 HB ILE A 71 -4.918 7.553 -7.966 1.00 41.11 H new ATOM 0 HG12 ILE A 71 -6.856 9.251 -6.350 1.00 64.51 H new ATOM 0 HG13 ILE A 71 -6.122 9.719 -7.871 1.00 64.51 H new ATOM 0 HG21 ILE A 71 -6.554 6.206 -6.706 1.00 1.12 H new ATOM 0 HG22 ILE A 71 -4.914 6.053 -6.031 1.00 1.12 H new ATOM 0 HG23 ILE A 71 -6.119 7.079 -5.217 1.00 1.12 H new ATOM 0 HD11 ILE A 71 -8.412 8.931 -8.209 1.00 33.40 H new ATOM 0 HD12 ILE A 71 -7.254 7.843 -9.009 1.00 33.40 H new ATOM 0 HD13 ILE A 71 -7.999 7.368 -7.465 1.00 33.40 H new ATOM 1166 N ALA A 72 -2.163 7.579 -7.087 1.00 32.03 N ATOM 1167 CA ALA A 72 -0.986 6.724 -6.998 1.00 52.13 C ATOM 1168 C ALA A 72 -0.016 7.233 -5.932 1.00 73.22 C ATOM 1169 O ALA A 72 0.514 6.455 -5.142 1.00 73.02 O ATOM 1170 CB ALA A 72 -0.294 6.635 -8.353 1.00 2.50 C ATOM 0 H ALA A 72 -2.290 8.024 -7.996 1.00 32.03 H new ATOM 0 HA ALA A 72 -1.312 5.726 -6.705 1.00 52.13 H new ATOM 0 HB1 ALA A 72 0.583 5.993 -8.272 1.00 2.50 H new ATOM 0 HB2 ALA A 72 -0.983 6.217 -9.087 1.00 2.50 H new ATOM 0 HB3 ALA A 72 0.013 7.631 -8.671 1.00 2.50 H new ATOM 1176 N ASN A 73 0.196 8.544 -5.899 1.00 40.54 N ATOM 1177 CA ASN A 73 1.123 9.147 -4.937 1.00 62.32 C ATOM 1178 C ASN A 73 0.518 9.157 -3.542 1.00 51.32 C ATOM 1179 O ASN A 73 1.195 8.879 -2.550 1.00 64.32 O ATOM 1180 CB ASN A 73 1.481 10.583 -5.337 1.00 20.33 C ATOM 1181 CG ASN A 73 2.372 10.670 -6.563 1.00 10.11 C ATOM 1182 OD1 ASN A 73 3.226 11.548 -6.657 1.00 61.12 O ATOM 1183 ND2 ASN A 73 2.178 9.775 -7.517 1.00 30.32 N ATOM 0 H ASN A 73 -0.258 9.211 -6.523 1.00 40.54 H new ATOM 0 HA ASN A 73 2.030 8.542 -4.937 1.00 62.32 H new ATOM 0 HB2 ASN A 73 0.562 11.138 -5.526 1.00 20.33 H new ATOM 0 HB3 ASN A 73 1.981 11.070 -4.500 1.00 20.33 H new ATOM 0 HD21 ASN A 73 2.747 9.800 -8.363 1.00 30.32 H new ATOM 0 HD22 ASN A 73 1.460 9.059 -7.406 1.00 30.32 H new ATOM 1190 N ASP A 74 -0.763 9.479 -3.483 1.00 63.43 N ATOM 1191 CA ASP A 74 -1.481 9.587 -2.214 1.00 4.43 C ATOM 1192 C ASP A 74 -1.526 8.242 -1.494 1.00 54.32 C ATOM 1193 O ASP A 74 -1.284 8.166 -0.291 1.00 43.23 O ATOM 1194 CB ASP A 74 -2.898 10.112 -2.452 1.00 30.14 C ATOM 1195 CG ASP A 74 -3.624 10.447 -1.166 1.00 44.12 C ATOM 1196 OD1 ASP A 74 -3.193 11.383 -0.464 1.00 32.42 O ATOM 1197 OD2 ASP A 74 -4.652 9.801 -0.872 1.00 43.41 O ATOM 0 H ASP A 74 -1.336 9.673 -4.304 1.00 63.43 H new ATOM 0 HA ASP A 74 -0.946 10.292 -1.578 1.00 4.43 H new ATOM 0 HB2 ASP A 74 -2.850 11.002 -3.079 1.00 30.14 H new ATOM 0 HB3 ASP A 74 -3.470 9.365 -3.002 1.00 30.14 H new ATOM 1202 N THR A 75 -1.806 7.182 -2.240 1.00 73.25 N ATOM 1203 CA THR A 75 -1.838 5.838 -1.674 1.00 12.52 C ATOM 1204 C THR A 75 -0.428 5.388 -1.279 1.00 42.33 C ATOM 1205 O THR A 75 -0.243 4.667 -0.296 1.00 33.34 O ATOM 1206 CB THR A 75 -2.444 4.836 -2.677 1.00 3.53 C ATOM 1207 OG1 THR A 75 -3.689 5.344 -3.170 1.00 44.20 O ATOM 1208 CG2 THR A 75 -2.673 3.476 -2.033 1.00 71.03 C ATOM 0 H THR A 75 -2.014 7.225 -3.238 1.00 73.25 H new ATOM 0 HA THR A 75 -2.465 5.863 -0.783 1.00 12.52 H new ATOM 0 HB THR A 75 -1.738 4.711 -3.498 1.00 3.53 H new ATOM 0 HG1 THR A 75 -3.521 5.946 -3.925 1.00 44.20 H new ATOM 0 HG21 THR A 75 -3.101 2.793 -2.767 1.00 71.03 H new ATOM 0 HG22 THR A 75 -1.723 3.077 -1.677 1.00 71.03 H new ATOM 0 HG23 THR A 75 -3.359 3.582 -1.193 1.00 71.03 H new ATOM 1216 N LEU A 76 0.561 5.846 -2.043 1.00 42.21 N ATOM 1217 CA LEU A 76 1.962 5.527 -1.783 1.00 13.21 C ATOM 1218 C LEU A 76 2.376 6.064 -0.415 1.00 42.10 C ATOM 1219 O LEU A 76 3.137 5.421 0.314 1.00 53.14 O ATOM 1220 CB LEU A 76 2.839 6.132 -2.890 1.00 22.13 C ATOM 1221 CG LEU A 76 4.294 5.650 -2.964 1.00 52.14 C ATOM 1222 CD1 LEU A 76 5.145 6.262 -1.863 1.00 32.52 C ATOM 1223 CD2 LEU A 76 4.356 4.132 -2.906 1.00 2.02 C ATOM 0 H LEU A 76 0.415 6.445 -2.855 1.00 42.21 H new ATOM 0 HA LEU A 76 2.094 4.445 -1.780 1.00 13.21 H new ATOM 0 HB2 LEU A 76 2.364 5.926 -3.849 1.00 22.13 H new ATOM 0 HB3 LEU A 76 2.846 7.215 -2.764 1.00 22.13 H new ATOM 0 HG LEU A 76 4.703 5.982 -3.918 1.00 52.14 H new ATOM 0 HD11 LEU A 76 6.168 5.897 -1.949 1.00 32.52 H new ATOM 0 HD12 LEU A 76 5.138 7.348 -1.959 1.00 32.52 H new ATOM 0 HD13 LEU A 76 4.740 5.981 -0.891 1.00 32.52 H new ATOM 0 HD21 LEU A 76 5.395 3.808 -2.960 1.00 2.02 H new ATOM 0 HD22 LEU A 76 3.916 3.785 -1.971 1.00 2.02 H new ATOM 0 HD23 LEU A 76 3.801 3.713 -3.746 1.00 2.02 H new ATOM 1235 N ARG A 77 1.872 7.252 -0.091 1.00 32.34 N ATOM 1236 CA ARG A 77 2.102 7.880 1.214 1.00 51.32 C ATOM 1237 C ARG A 77 1.857 6.897 2.356 1.00 61.00 C ATOM 1238 O ARG A 77 2.655 6.799 3.291 1.00 24.23 O ATOM 1239 CB ARG A 77 1.178 9.087 1.399 1.00 24.05 C ATOM 1240 CG ARG A 77 1.413 10.219 0.412 1.00 52.22 C ATOM 1241 CD ARG A 77 0.356 11.303 0.570 1.00 73.01 C ATOM 1242 NE ARG A 77 0.657 12.497 -0.218 1.00 32.02 N ATOM 1243 CZ ARG A 77 0.078 13.680 -0.023 1.00 50.11 C ATOM 1244 NH1 ARG A 77 -0.900 13.811 0.869 1.00 61.35 N ATOM 1245 NH2 ARG A 77 0.456 14.729 -0.742 1.00 61.04 N ATOM 0 H ARG A 77 1.294 7.808 -0.721 1.00 32.34 H new ATOM 0 HA ARG A 77 3.143 8.201 1.238 1.00 51.32 H new ATOM 0 HB2 ARG A 77 0.144 8.754 1.310 1.00 24.05 H new ATOM 0 HB3 ARG A 77 1.303 9.472 2.411 1.00 24.05 H new ATOM 0 HG2 ARG A 77 2.404 10.645 0.570 1.00 52.22 H new ATOM 0 HG3 ARG A 77 1.392 9.830 -0.606 1.00 52.22 H new ATOM 0 HD2 ARG A 77 -0.614 10.907 0.268 1.00 73.01 H new ATOM 0 HD3 ARG A 77 0.275 11.577 1.622 1.00 73.01 H new ATOM 0 HE ARG A 77 1.352 12.419 -0.961 1.00 32.02 H new ATOM 0 HH11 ARG A 77 -1.210 13.003 1.408 1.00 61.35 H new ATOM 0 HH12 ARG A 77 -1.340 14.720 1.014 1.00 61.35 H new ATOM 0 HH21 ARG A 77 1.190 14.629 -1.444 1.00 61.04 H new ATOM 0 HH22 ARG A 77 0.013 15.636 -0.593 1.00 61.04 H new ATOM 1259 N TRP A 78 0.749 6.172 2.270 1.00 45.32 N ATOM 1260 CA TRP A 78 0.377 5.219 3.302 1.00 54.21 C ATOM 1261 C TRP A 78 1.247 3.969 3.225 1.00 63.21 C ATOM 1262 O TRP A 78 1.649 3.424 4.251 1.00 31.25 O ATOM 1263 CB TRP A 78 -1.104 4.850 3.172 1.00 34.32 C ATOM 1264 CG TRP A 78 -2.015 6.037 3.256 1.00 43.23 C ATOM 1265 CD1 TRP A 78 -2.713 6.610 2.232 1.00 24.31 C ATOM 1266 CD2 TRP A 78 -2.319 6.803 4.428 1.00 31.35 C ATOM 1267 NE1 TRP A 78 -3.437 7.683 2.697 1.00 2.41 N ATOM 1268 CE2 TRP A 78 -3.210 7.823 4.042 1.00 22.24 C ATOM 1269 CE3 TRP A 78 -1.927 6.724 5.769 1.00 13.14 C ATOM 1270 CZ2 TRP A 78 -3.711 8.756 4.946 1.00 34.23 C ATOM 1271 CZ3 TRP A 78 -2.424 7.651 6.666 1.00 12.14 C ATOM 1272 CH2 TRP A 78 -3.309 8.655 6.252 1.00 4.11 C ATOM 0 H TRP A 78 0.092 6.228 1.492 1.00 45.32 H new ATOM 0 HA TRP A 78 0.538 5.684 4.274 1.00 54.21 H new ATOM 0 HB2 TRP A 78 -1.264 4.343 2.220 1.00 34.32 H new ATOM 0 HB3 TRP A 78 -1.366 4.142 3.958 1.00 34.32 H new ATOM 0 HD1 TRP A 78 -2.699 6.270 1.207 1.00 24.31 H new ATOM 0 HE1 TRP A 78 -4.044 8.278 2.133 1.00 2.41 H new ATOM 0 HE3 TRP A 78 -1.247 5.952 6.098 1.00 13.14 H new ATOM 0 HZ2 TRP A 78 -4.392 9.532 4.629 1.00 34.23 H new ATOM 0 HZ3 TRP A 78 -2.125 7.600 7.703 1.00 12.14 H new ATOM 0 HH2 TRP A 78 -3.682 9.364 6.977 1.00 4.11 H new ATOM 1283 N LEU A 79 1.547 3.533 2.004 1.00 14.44 N ATOM 1284 CA LEU A 79 2.395 2.363 1.786 1.00 34.21 C ATOM 1285 C LEU A 79 3.770 2.561 2.420 1.00 11.22 C ATOM 1286 O LEU A 79 4.306 1.661 3.067 1.00 60.35 O ATOM 1287 CB LEU A 79 2.550 2.092 0.287 1.00 14.11 C ATOM 1288 CG LEU A 79 1.248 1.811 -0.467 1.00 63.24 C ATOM 1289 CD1 LEU A 79 1.507 1.679 -1.958 1.00 32.32 C ATOM 1290 CD2 LEU A 79 0.585 0.552 0.063 1.00 44.53 C ATOM 0 H LEU A 79 1.214 3.974 1.147 1.00 14.44 H new ATOM 0 HA LEU A 79 1.915 1.506 2.258 1.00 34.21 H new ATOM 0 HB2 LEU A 79 3.038 2.952 -0.172 1.00 14.11 H new ATOM 0 HB3 LEU A 79 3.217 1.240 0.156 1.00 14.11 H new ATOM 0 HG LEU A 79 0.576 2.654 -0.306 1.00 63.24 H new ATOM 0 HD11 LEU A 79 0.568 1.479 -2.474 1.00 32.32 H new ATOM 0 HD12 LEU A 79 1.939 2.606 -2.336 1.00 32.32 H new ATOM 0 HD13 LEU A 79 2.200 0.857 -2.135 1.00 32.32 H new ATOM 0 HD21 LEU A 79 -0.339 0.369 -0.485 1.00 44.53 H new ATOM 0 HD22 LEU A 79 1.258 -0.296 -0.066 1.00 44.53 H new ATOM 0 HD23 LEU A 79 0.360 0.678 1.122 1.00 44.53 H new ATOM 1302 N LYS A 80 4.327 3.751 2.220 1.00 73.31 N ATOM 1303 CA LYS A 80 5.618 4.124 2.774 1.00 11.33 C ATOM 1304 C LYS A 80 5.693 3.813 4.263 1.00 63.35 C ATOM 1305 O LYS A 80 6.532 3.030 4.714 1.00 61.42 O ATOM 1306 CB LYS A 80 5.812 5.622 2.570 1.00 70.54 C ATOM 1307 CG LYS A 80 7.156 6.134 3.035 1.00 73.42 C ATOM 1308 CD LYS A 80 8.254 5.728 2.077 1.00 14.04 C ATOM 1309 CE LYS A 80 7.998 6.288 0.691 1.00 51.01 C ATOM 1310 NZ LYS A 80 9.209 6.238 -0.169 1.00 15.13 N ATOM 0 H LYS A 80 3.890 4.487 1.665 1.00 73.31 H new ATOM 0 HA LYS A 80 6.396 3.553 2.268 1.00 11.33 H new ATOM 0 HB2 LYS A 80 5.692 5.853 1.512 1.00 70.54 H new ATOM 0 HB3 LYS A 80 5.026 6.156 3.104 1.00 70.54 H new ATOM 0 HG2 LYS A 80 7.126 7.220 3.119 1.00 73.42 H new ATOM 0 HG3 LYS A 80 7.373 5.743 4.029 1.00 73.42 H new ATOM 0 HD2 LYS A 80 9.215 6.086 2.446 1.00 14.04 H new ATOM 0 HD3 LYS A 80 8.316 4.641 2.028 1.00 14.04 H new ATOM 0 HE2 LYS A 80 7.194 5.725 0.217 1.00 51.01 H new ATOM 0 HE3 LYS A 80 7.657 7.320 0.776 1.00 51.01 H new ATOM 0 HZ1 LYS A 80 8.929 6.318 -1.167 1.00 15.13 H new ATOM 0 HZ2 LYS A 80 9.843 7.025 0.078 1.00 15.13 H new ATOM 0 HZ3 LYS A 80 9.704 5.335 -0.020 1.00 15.13 H new ATOM 1324 N ARG A 81 4.800 4.440 5.007 1.00 21.21 N ATOM 1325 CA ARG A 81 4.752 4.300 6.459 1.00 35.23 C ATOM 1326 C ARG A 81 4.369 2.881 6.876 1.00 11.51 C ATOM 1327 O ARG A 81 4.943 2.327 7.814 1.00 74.05 O ATOM 1328 CB ARG A 81 3.751 5.294 7.042 1.00 23.43 C ATOM 1329 CG ARG A 81 4.041 6.737 6.675 1.00 52.14 C ATOM 1330 CD ARG A 81 2.969 7.666 7.214 1.00 4.52 C ATOM 1331 NE ARG A 81 3.236 9.062 6.879 1.00 42.53 N ATOM 1332 CZ ARG A 81 2.694 10.101 7.510 1.00 75.40 C ATOM 1333 NH1 ARG A 81 1.864 9.910 8.531 1.00 61.41 N ATOM 1334 NH2 ARG A 81 2.989 11.334 7.119 1.00 1.43 N ATOM 0 H ARG A 81 4.086 5.061 4.626 1.00 21.21 H new ATOM 0 HA ARG A 81 5.749 4.507 6.847 1.00 35.23 H new ATOM 0 HB2 ARG A 81 2.751 5.034 6.696 1.00 23.43 H new ATOM 0 HB3 ARG A 81 3.747 5.198 8.128 1.00 23.43 H new ATOM 0 HG2 ARG A 81 5.013 7.028 7.074 1.00 52.14 H new ATOM 0 HG3 ARG A 81 4.099 6.835 5.591 1.00 52.14 H new ATOM 0 HD2 ARG A 81 2.000 7.375 6.809 1.00 4.52 H new ATOM 0 HD3 ARG A 81 2.907 7.558 8.297 1.00 4.52 H new ATOM 0 HE ARG A 81 3.880 9.253 6.111 1.00 42.53 H new ATOM 0 HH11 ARG A 81 1.639 8.963 8.835 1.00 61.41 H new ATOM 0 HH12 ARG A 81 1.452 10.711 9.010 1.00 61.41 H new ATOM 0 HH21 ARG A 81 3.628 11.482 6.338 1.00 1.43 H new ATOM 0 HH22 ARG A 81 2.576 12.134 7.599 1.00 1.43 H new ATOM 1348 N MET A 82 3.403 2.303 6.173 1.00 54.20 N ATOM 1349 CA MET A 82 2.904 0.966 6.490 1.00 50.30 C ATOM 1350 C MET A 82 4.019 -0.079 6.433 1.00 64.43 C ATOM 1351 O MET A 82 4.147 -0.907 7.335 1.00 32.30 O ATOM 1352 CB MET A 82 1.754 0.593 5.545 1.00 40.24 C ATOM 1353 CG MET A 82 1.196 -0.806 5.760 1.00 3.53 C ATOM 1354 SD MET A 82 1.826 -1.995 4.561 1.00 75.00 S ATOM 1355 CE MET A 82 1.159 -1.325 3.041 1.00 4.12 C ATOM 0 H MET A 82 2.945 2.741 5.374 1.00 54.20 H new ATOM 0 HA MET A 82 2.527 0.980 7.513 1.00 50.30 H new ATOM 0 HB2 MET A 82 0.948 1.316 5.669 1.00 40.24 H new ATOM 0 HB3 MET A 82 2.103 0.678 4.516 1.00 40.24 H new ATOM 0 HG2 MET A 82 1.447 -1.143 6.766 1.00 3.53 H new ATOM 0 HG3 MET A 82 0.108 -0.773 5.697 1.00 3.53 H new ATOM 0 HE1 MET A 82 0.672 -2.120 2.476 1.00 4.12 H new ATOM 0 HE2 MET A 82 0.431 -0.548 3.274 1.00 4.12 H new ATOM 0 HE3 MET A 82 1.967 -0.899 2.446 1.00 4.12 H new ATOM 1365 N PHE A 83 4.841 -0.023 5.389 1.00 32.20 N ATOM 1366 CA PHE A 83 5.946 -0.968 5.244 1.00 5.21 C ATOM 1367 C PHE A 83 7.051 -0.696 6.261 1.00 72.33 C ATOM 1368 O PHE A 83 7.806 -1.599 6.621 1.00 25.41 O ATOM 1369 CB PHE A 83 6.517 -0.932 3.825 1.00 42.20 C ATOM 1370 CG PHE A 83 5.667 -1.649 2.813 1.00 15.35 C ATOM 1371 CD1 PHE A 83 5.474 -3.018 2.903 1.00 12.43 C ATOM 1372 CD2 PHE A 83 5.064 -0.959 1.773 1.00 3.10 C ATOM 1373 CE1 PHE A 83 4.695 -3.685 1.977 1.00 4.31 C ATOM 1374 CE2 PHE A 83 4.285 -1.620 0.844 1.00 63.11 C ATOM 1375 CZ PHE A 83 4.100 -2.986 0.946 1.00 12.42 C ATOM 0 H PHE A 83 4.765 0.661 4.636 1.00 32.20 H new ATOM 0 HA PHE A 83 5.546 -1.964 5.434 1.00 5.21 H new ATOM 0 HB2 PHE A 83 6.635 0.107 3.517 1.00 42.20 H new ATOM 0 HB3 PHE A 83 7.512 -1.377 3.832 1.00 42.20 H new ATOM 0 HD1 PHE A 83 5.938 -3.570 3.707 1.00 12.43 H new ATOM 0 HD2 PHE A 83 5.205 0.108 1.688 1.00 3.10 H new ATOM 0 HE1 PHE A 83 4.552 -4.752 2.060 1.00 4.31 H new ATOM 0 HE2 PHE A 83 3.821 -1.070 0.039 1.00 63.11 H new ATOM 0 HZ PHE A 83 3.491 -3.505 0.221 1.00 12.42 H new ATOM 1385 N ASN A 84 7.139 0.543 6.731 1.00 53.21 N ATOM 1386 CA ASN A 84 8.124 0.907 7.748 1.00 54.23 C ATOM 1387 C ASN A 84 7.807 0.201 9.065 1.00 71.30 C ATOM 1388 O ASN A 84 8.703 -0.193 9.811 1.00 71.24 O ATOM 1389 CB ASN A 84 8.142 2.422 7.962 1.00 63.13 C ATOM 1390 CG ASN A 84 9.176 2.856 8.986 1.00 54.40 C ATOM 1391 OD1 ASN A 84 10.254 2.271 9.089 1.00 30.55 O ATOM 1392 ND2 ASN A 84 8.849 3.880 9.759 1.00 4.45 N ATOM 0 H ASN A 84 6.543 1.312 6.426 1.00 53.21 H new ATOM 0 HA ASN A 84 9.108 0.591 7.401 1.00 54.23 H new ATOM 0 HB2 ASN A 84 8.347 2.917 7.013 1.00 63.13 H new ATOM 0 HB3 ASN A 84 7.155 2.751 8.286 1.00 63.13 H new ATOM 0 HD21 ASN A 84 9.501 4.210 10.471 1.00 4.45 H new ATOM 0 HD22 ASN A 84 7.945 4.339 9.643 1.00 4.45 H new ATOM 1399 N TYR A 85 6.517 0.038 9.331 1.00 21.44 N ATOM 1400 CA TYR A 85 6.051 -0.664 10.519 1.00 11.32 C ATOM 1401 C TYR A 85 6.512 -2.123 10.485 1.00 10.21 C ATOM 1402 O TYR A 85 6.818 -2.719 11.518 1.00 23.42 O ATOM 1403 CB TYR A 85 4.522 -0.561 10.603 1.00 61.11 C ATOM 1404 CG TYR A 85 3.898 -1.262 11.793 1.00 5.21 C ATOM 1405 CD1 TYR A 85 4.478 -1.204 13.053 1.00 42.30 C ATOM 1406 CD2 TYR A 85 2.720 -1.983 11.647 1.00 65.34 C ATOM 1407 CE1 TYR A 85 3.903 -1.846 14.132 1.00 24.11 C ATOM 1408 CE2 TYR A 85 2.140 -2.626 12.720 1.00 24.14 C ATOM 1409 CZ TYR A 85 2.734 -2.555 13.960 1.00 11.54 C ATOM 1410 OH TYR A 85 2.159 -3.202 15.029 1.00 41.53 O ATOM 0 H TYR A 85 5.768 0.387 8.733 1.00 21.44 H new ATOM 0 HA TYR A 85 6.478 -0.204 11.410 1.00 11.32 H new ATOM 0 HB2 TYR A 85 4.245 0.493 10.635 1.00 61.11 H new ATOM 0 HB3 TYR A 85 4.094 -0.976 9.690 1.00 61.11 H new ATOM 0 HD1 TYR A 85 5.393 -0.648 13.192 1.00 42.30 H new ATOM 0 HD2 TYR A 85 2.250 -2.041 10.676 1.00 65.34 H new ATOM 0 HE1 TYR A 85 4.367 -1.793 15.106 1.00 24.11 H new ATOM 0 HE2 TYR A 85 1.224 -3.183 12.588 1.00 24.14 H new ATOM 0 HH TYR A 85 1.475 -3.825 14.705 1.00 41.53 H new ATOM 1420 N ALA A 86 6.577 -2.690 9.288 1.00 22.45 N ATOM 1421 CA ALA A 86 7.083 -4.043 9.117 1.00 0.04 C ATOM 1422 C ALA A 86 8.579 -4.096 9.408 1.00 20.45 C ATOM 1423 O ALA A 86 9.079 -5.075 9.958 1.00 2.34 O ATOM 1424 CB ALA A 86 6.794 -4.547 7.714 1.00 75.12 C ATOM 0 H ALA A 86 6.286 -2.234 8.423 1.00 22.45 H new ATOM 0 HA ALA A 86 6.572 -4.693 9.827 1.00 0.04 H new ATOM 0 HB1 ALA A 86 7.180 -5.561 7.605 1.00 75.12 H new ATOM 0 HB2 ALA A 86 5.718 -4.548 7.542 1.00 75.12 H new ATOM 0 HB3 ALA A 86 7.277 -3.895 6.986 1.00 75.12 H new ATOM 1430 N ILE A 87 9.283 -3.023 9.052 1.00 21.13 N ATOM 1431 CA ILE A 87 10.723 -2.930 9.278 1.00 3.04 C ATOM 1432 C ILE A 87 11.037 -2.864 10.772 1.00 13.13 C ATOM 1433 O ILE A 87 11.922 -3.568 11.261 1.00 62.13 O ATOM 1434 CB ILE A 87 11.328 -1.694 8.577 1.00 42.12 C ATOM 1435 CG1 ILE A 87 11.109 -1.785 7.066 1.00 1.14 C ATOM 1436 CG2 ILE A 87 12.814 -1.579 8.889 1.00 11.22 C ATOM 1437 CD1 ILE A 87 11.565 -0.556 6.308 1.00 45.31 C ATOM 0 H ILE A 87 8.876 -2.202 8.604 1.00 21.13 H new ATOM 0 HA ILE A 87 11.171 -3.828 8.853 1.00 3.04 H new ATOM 0 HB ILE A 87 10.826 -0.802 8.951 1.00 42.12 H new ATOM 0 HG12 ILE A 87 11.642 -2.655 6.683 1.00 1.14 H new ATOM 0 HG13 ILE A 87 10.049 -1.948 6.871 1.00 1.14 H new ATOM 0 HG21 ILE A 87 13.224 -0.703 8.387 1.00 11.22 H new ATOM 0 HG22 ILE A 87 12.953 -1.479 9.965 1.00 11.22 H new ATOM 0 HG23 ILE A 87 13.330 -2.473 8.538 1.00 11.22 H new ATOM 0 HD11 ILE A 87 11.378 -0.695 5.243 1.00 45.31 H new ATOM 0 HD12 ILE A 87 11.015 0.315 6.663 1.00 45.31 H new ATOM 0 HD13 ILE A 87 12.632 -0.403 6.472 1.00 45.31 H new ATOM 1449 N LYS A 88 10.295 -2.034 11.500 1.00 24.42 N ATOM 1450 CA LYS A 88 10.514 -1.881 12.938 1.00 42.33 C ATOM 1451 C LYS A 88 10.122 -3.152 13.694 1.00 54.14 C ATOM 1452 O LYS A 88 10.563 -3.380 14.820 1.00 75.15 O ATOM 1453 CB LYS A 88 9.752 -0.669 13.487 1.00 23.21 C ATOM 1454 CG LYS A 88 8.255 -0.724 13.264 1.00 43.34 C ATOM 1455 CD LYS A 88 7.562 0.489 13.855 1.00 73.01 C ATOM 1456 CE LYS A 88 7.705 0.526 15.367 1.00 55.23 C ATOM 1457 NZ LYS A 88 7.127 1.760 15.952 1.00 35.34 N ATOM 0 H LYS A 88 9.541 -1.460 11.122 1.00 24.42 H new ATOM 0 HA LYS A 88 11.579 -1.710 13.093 1.00 42.33 H new ATOM 0 HB2 LYS A 88 9.946 -0.586 14.556 1.00 23.21 H new ATOM 0 HB3 LYS A 88 10.145 0.235 13.021 1.00 23.21 H new ATOM 0 HG2 LYS A 88 8.047 -0.779 12.196 1.00 43.34 H new ATOM 0 HG3 LYS A 88 7.852 -1.631 13.715 1.00 43.34 H new ATOM 0 HD2 LYS A 88 7.985 1.397 13.426 1.00 73.01 H new ATOM 0 HD3 LYS A 88 6.505 0.472 13.588 1.00 73.01 H new ATOM 0 HE2 LYS A 88 7.212 -0.345 15.799 1.00 55.23 H new ATOM 0 HE3 LYS A 88 8.760 0.459 15.633 1.00 55.23 H new ATOM 0 HZ1 LYS A 88 7.246 1.743 16.985 1.00 35.34 H new ATOM 0 HZ2 LYS A 88 7.614 2.591 15.560 1.00 35.34 H new ATOM 0 HZ3 LYS A 88 6.114 1.812 15.721 1.00 35.34 H new ATOM 1471 N ARG A 89 9.290 -3.981 13.070 1.00 1.12 N ATOM 1472 CA ARG A 89 8.949 -5.284 13.629 1.00 51.30 C ATOM 1473 C ARG A 89 9.868 -6.359 13.074 1.00 52.03 C ATOM 1474 O ARG A 89 9.751 -7.536 13.417 1.00 42.41 O ATOM 1475 CB ARG A 89 7.494 -5.626 13.345 1.00 12.14 C ATOM 1476 CG ARG A 89 6.563 -5.174 14.449 1.00 35.31 C ATOM 1477 CD ARG A 89 6.884 -5.902 15.748 1.00 23.02 C ATOM 1478 NE ARG A 89 6.090 -5.422 16.877 1.00 51.11 N ATOM 1479 CZ ARG A 89 6.165 -5.936 18.104 1.00 10.52 C ATOM 1480 NH1 ARG A 89 6.954 -6.973 18.352 1.00 72.30 N ATOM 1481 NH2 ARG A 89 5.446 -5.415 19.087 1.00 22.10 N ATOM 0 H ARG A 89 8.840 -3.773 12.178 1.00 1.12 H new ATOM 0 HA ARG A 89 9.085 -5.239 14.710 1.00 51.30 H new ATOM 0 HB2 ARG A 89 7.192 -5.161 12.407 1.00 12.14 H new ATOM 0 HB3 ARG A 89 7.397 -6.704 13.212 1.00 12.14 H new ATOM 0 HG2 ARG A 89 6.658 -4.098 14.595 1.00 35.31 H new ATOM 0 HG3 ARG A 89 5.529 -5.367 14.163 1.00 35.31 H new ATOM 0 HD2 ARG A 89 6.708 -6.969 15.614 1.00 23.02 H new ATOM 0 HD3 ARG A 89 7.943 -5.779 15.976 1.00 23.02 H new ATOM 0 HE ARG A 89 5.442 -4.650 16.717 1.00 51.11 H new ATOM 0 HH11 ARG A 89 7.509 -7.383 17.601 1.00 72.30 H new ATOM 0 HH12 ARG A 89 7.006 -7.361 19.294 1.00 72.30 H new ATOM 0 HH21 ARG A 89 4.834 -4.619 18.905 1.00 22.10 H new ATOM 0 HH22 ARG A 89 5.504 -5.809 20.026 1.00 22.10 H new ATOM 1495 N HIS A 90 10.762 -5.930 12.197 1.00 75.54 N ATOM 1496 CA HIS A 90 11.838 -6.766 11.660 1.00 0.10 C ATOM 1497 C HIS A 90 11.302 -7.854 10.739 1.00 70.32 C ATOM 1498 O HIS A 90 11.961 -8.868 10.511 1.00 71.33 O ATOM 1499 CB HIS A 90 12.671 -7.380 12.793 1.00 22.44 C ATOM 1500 CG HIS A 90 13.268 -6.356 13.709 1.00 52.22 C ATOM 1501 ND1 HIS A 90 13.186 -6.431 15.081 1.00 13.31 N ATOM 1502 CD2 HIS A 90 13.937 -5.212 13.439 1.00 62.52 C ATOM 1503 CE1 HIS A 90 13.776 -5.380 15.614 1.00 63.12 C ATOM 1504 NE2 HIS A 90 14.241 -4.620 14.640 1.00 63.20 N ATOM 0 H HIS A 90 10.765 -4.979 11.829 1.00 75.54 H new ATOM 0 HA HIS A 90 12.484 -6.120 11.066 1.00 0.10 H new ATOM 0 HB2 HIS A 90 12.041 -8.054 13.374 1.00 22.44 H new ATOM 0 HB3 HIS A 90 13.471 -7.982 12.362 1.00 22.44 H new ATOM 0 HD2 HIS A 90 14.186 -4.834 12.459 1.00 62.52 H new ATOM 0 HE1 HIS A 90 13.864 -5.175 16.671 1.00 63.12 H new ATOM 0 HE2 HIS A 90 14.742 -3.740 14.760 1.00 63.20 H new ATOM 1513 N ILE A 91 10.115 -7.629 10.195 1.00 64.21 N ATOM 1514 CA ILE A 91 9.550 -8.525 9.196 1.00 53.41 C ATOM 1515 C ILE A 91 10.355 -8.402 7.908 1.00 53.43 C ATOM 1516 O ILE A 91 10.606 -9.388 7.210 1.00 5.42 O ATOM 1517 CB ILE A 91 8.065 -8.196 8.915 1.00 72.31 C ATOM 1518 CG1 ILE A 91 7.235 -8.358 10.193 1.00 2.21 C ATOM 1519 CG2 ILE A 91 7.517 -9.079 7.803 1.00 42.21 C ATOM 1520 CD1 ILE A 91 5.776 -7.986 10.027 1.00 65.11 C ATOM 0 H ILE A 91 9.523 -6.832 10.429 1.00 64.21 H new ATOM 0 HA ILE A 91 9.599 -9.545 9.578 1.00 53.41 H new ATOM 0 HB ILE A 91 7.998 -7.159 8.586 1.00 72.31 H new ATOM 0 HG12 ILE A 91 7.300 -9.393 10.528 1.00 2.21 H new ATOM 0 HG13 ILE A 91 7.670 -7.740 10.978 1.00 2.21 H new ATOM 0 HG21 ILE A 91 6.471 -8.830 7.623 1.00 42.21 H new ATOM 0 HG22 ILE A 91 8.092 -8.915 6.891 1.00 42.21 H new ATOM 0 HG23 ILE A 91 7.595 -10.126 8.098 1.00 42.21 H new ATOM 0 HD11 ILE A 91 5.255 -8.127 10.974 1.00 65.11 H new ATOM 0 HD12 ILE A 91 5.699 -6.942 9.722 1.00 65.11 H new ATOM 0 HD13 ILE A 91 5.323 -8.621 9.265 1.00 65.11 H new ATOM 1532 N ILE A 92 10.769 -7.175 7.623 1.00 62.51 N ATOM 1533 CA ILE A 92 11.631 -6.880 6.489 1.00 14.11 C ATOM 1534 C ILE A 92 12.733 -5.922 6.923 1.00 3.53 C ATOM 1535 O ILE A 92 12.643 -5.310 7.990 1.00 15.25 O ATOM 1536 CB ILE A 92 10.850 -6.251 5.312 1.00 51.14 C ATOM 1537 CG1 ILE A 92 10.077 -5.012 5.776 1.00 21.21 C ATOM 1538 CG2 ILE A 92 9.909 -7.272 4.691 1.00 43.43 C ATOM 1539 CD1 ILE A 92 9.322 -4.312 4.666 1.00 2.23 C ATOM 0 H ILE A 92 10.515 -6.355 8.174 1.00 62.51 H new ATOM 0 HA ILE A 92 12.055 -7.824 6.145 1.00 14.11 H new ATOM 0 HB ILE A 92 11.566 -5.939 4.552 1.00 51.14 H new ATOM 0 HG12 ILE A 92 9.372 -5.305 6.554 1.00 21.21 H new ATOM 0 HG13 ILE A 92 10.775 -4.308 6.228 1.00 21.21 H new ATOM 0 HG21 ILE A 92 9.367 -6.812 3.864 1.00 43.43 H new ATOM 0 HG22 ILE A 92 10.485 -8.120 4.320 1.00 43.43 H new ATOM 0 HG23 ILE A 92 9.199 -7.617 5.443 1.00 43.43 H new ATOM 0 HD11 ILE A 92 8.800 -3.445 5.071 1.00 2.23 H new ATOM 0 HD12 ILE A 92 10.023 -3.987 3.898 1.00 2.23 H new ATOM 0 HD13 ILE A 92 8.598 -5.000 4.228 1.00 2.23 H new ATOM 1551 N GLU A 93 13.763 -5.800 6.106 1.00 71.20 N ATOM 1552 CA GLU A 93 14.863 -4.889 6.389 1.00 42.40 C ATOM 1553 C GLU A 93 14.709 -3.631 5.549 1.00 32.45 C ATOM 1554 O GLU A 93 14.855 -2.509 6.037 1.00 31.01 O ATOM 1555 CB GLU A 93 16.197 -5.562 6.073 1.00 31.11 C ATOM 1556 CG GLU A 93 16.400 -6.879 6.800 1.00 72.01 C ATOM 1557 CD GLU A 93 17.655 -7.592 6.354 1.00 24.04 C ATOM 1558 OE1 GLU A 93 18.734 -7.299 6.908 1.00 71.42 O ATOM 1559 OE2 GLU A 93 17.566 -8.441 5.443 1.00 32.30 O ATOM 0 H GLU A 93 13.863 -6.322 5.236 1.00 71.20 H new ATOM 0 HA GLU A 93 14.844 -4.624 7.446 1.00 42.40 H new ATOM 0 HB2 GLU A 93 16.261 -5.736 4.999 1.00 31.11 H new ATOM 0 HB3 GLU A 93 17.008 -4.883 6.335 1.00 31.11 H new ATOM 0 HG2 GLU A 93 16.451 -6.695 7.873 1.00 72.01 H new ATOM 0 HG3 GLU A 93 15.538 -7.523 6.628 1.00 72.01 H new ATOM 1566 N TYR A 94 14.413 -3.837 4.275 1.00 44.50 N ATOM 1567 CA TYR A 94 14.177 -2.744 3.350 1.00 53.40 C ATOM 1568 C TYR A 94 12.822 -2.936 2.686 1.00 11.33 C ATOM 1569 O TYR A 94 12.478 -4.044 2.274 1.00 21.12 O ATOM 1570 CB TYR A 94 15.288 -2.673 2.297 1.00 53.41 C ATOM 1571 CG TYR A 94 16.670 -2.475 2.880 1.00 52.53 C ATOM 1572 CD1 TYR A 94 17.023 -1.281 3.495 1.00 73.23 C ATOM 1573 CD2 TYR A 94 17.620 -3.485 2.815 1.00 23.04 C ATOM 1574 CE1 TYR A 94 18.284 -1.098 4.030 1.00 51.22 C ATOM 1575 CE2 TYR A 94 18.884 -3.311 3.346 1.00 63.32 C ATOM 1576 CZ TYR A 94 19.212 -2.115 3.953 1.00 23.10 C ATOM 1577 OH TYR A 94 20.473 -1.937 4.482 1.00 53.42 O ATOM 0 H TYR A 94 14.330 -4.763 3.856 1.00 44.50 H new ATOM 0 HA TYR A 94 14.181 -1.803 3.899 1.00 53.40 H new ATOM 0 HB2 TYR A 94 15.279 -3.592 1.711 1.00 53.41 H new ATOM 0 HB3 TYR A 94 15.073 -1.855 1.610 1.00 53.41 H new ATOM 0 HD1 TYR A 94 16.299 -0.482 3.556 1.00 73.23 H new ATOM 0 HD2 TYR A 94 17.367 -4.422 2.342 1.00 23.04 H new ATOM 0 HE1 TYR A 94 18.541 -0.163 4.506 1.00 51.22 H new ATOM 0 HE2 TYR A 94 19.612 -4.107 3.286 1.00 63.32 H new ATOM 0 HH TYR A 94 21.003 -2.750 4.345 1.00 53.42 H new ATOM 1587 N ASN A 95 12.053 -1.863 2.593 1.00 75.23 N ATOM 1588 CA ASN A 95 10.692 -1.946 2.084 1.00 71.23 C ATOM 1589 C ASN A 95 10.649 -1.715 0.575 1.00 62.45 C ATOM 1590 O ASN A 95 11.448 -0.953 0.030 1.00 72.15 O ATOM 1591 CB ASN A 95 9.785 -0.938 2.809 1.00 40.14 C ATOM 1592 CG ASN A 95 10.181 0.515 2.588 1.00 45.25 C ATOM 1593 OD1 ASN A 95 11.349 0.838 2.381 1.00 52.45 O ATOM 1594 ND2 ASN A 95 9.202 1.405 2.644 1.00 32.20 N ATOM 0 H ASN A 95 12.347 -0.924 2.863 1.00 75.23 H new ATOM 0 HA ASN A 95 10.322 -2.953 2.278 1.00 71.23 H new ATOM 0 HB2 ASN A 95 8.758 -1.080 2.472 1.00 40.14 H new ATOM 0 HB3 ASN A 95 9.803 -1.151 3.878 1.00 40.14 H new ATOM 0 HD21 ASN A 95 9.405 2.396 2.513 1.00 32.20 H new ATOM 0 HD22 ASN A 95 8.244 1.100 2.818 1.00 32.20 H new ATOM 1601 N PRO A 96 9.720 -2.387 -0.126 1.00 31.30 N ATOM 1602 CA PRO A 96 9.533 -2.214 -1.573 1.00 2.54 C ATOM 1603 C PRO A 96 9.171 -0.774 -1.932 1.00 42.13 C ATOM 1604 O PRO A 96 9.400 -0.321 -3.052 1.00 63.44 O ATOM 1605 CB PRO A 96 8.372 -3.162 -1.911 1.00 41.21 C ATOM 1606 CG PRO A 96 7.711 -3.450 -0.607 1.00 64.10 C ATOM 1607 CD PRO A 96 8.795 -3.387 0.428 1.00 44.00 C ATOM 0 HA PRO A 96 10.444 -2.433 -2.131 1.00 2.54 H new ATOM 0 HB2 PRO A 96 7.677 -2.699 -2.611 1.00 41.21 H new ATOM 0 HB3 PRO A 96 8.734 -4.077 -2.379 1.00 41.21 H new ATOM 0 HG2 PRO A 96 6.928 -2.721 -0.397 1.00 64.10 H new ATOM 0 HG3 PRO A 96 7.238 -4.432 -0.618 1.00 64.10 H new ATOM 0 HD2 PRO A 96 8.408 -3.084 1.401 1.00 44.00 H new ATOM 0 HD3 PRO A 96 9.280 -4.354 0.565 1.00 44.00 H new ATOM 1615 N ALA A 97 8.629 -0.053 -0.959 1.00 3.01 N ATOM 1616 CA ALA A 97 8.225 1.332 -1.157 1.00 73.24 C ATOM 1617 C ALA A 97 9.392 2.291 -0.928 1.00 54.32 C ATOM 1618 O ALA A 97 9.194 3.482 -0.687 1.00 12.51 O ATOM 1619 CB ALA A 97 7.065 1.671 -0.231 1.00 4.01 C ATOM 0 H ALA A 97 8.458 -0.408 -0.018 1.00 3.01 H new ATOM 0 HA ALA A 97 7.902 1.449 -2.191 1.00 73.24 H new ATOM 0 HB1 ALA A 97 6.768 2.708 -0.385 1.00 4.01 H new ATOM 0 HB2 ALA A 97 6.222 1.016 -0.450 1.00 4.01 H new ATOM 0 HB3 ALA A 97 7.374 1.532 0.805 1.00 4.01 H new ATOM 1625 N ALA A 98 10.611 1.770 -0.999 1.00 13.51 N ATOM 1626 CA ALA A 98 11.801 2.598 -0.873 1.00 71.02 C ATOM 1627 C ALA A 98 12.043 3.385 -2.156 1.00 62.12 C ATOM 1628 O ALA A 98 12.297 4.589 -2.117 1.00 23.43 O ATOM 1629 CB ALA A 98 13.014 1.746 -0.535 1.00 5.23 C ATOM 0 H ALA A 98 10.800 0.778 -1.143 1.00 13.51 H new ATOM 0 HA ALA A 98 11.641 3.305 -0.059 1.00 71.02 H new ATOM 0 HB1 ALA A 98 13.893 2.384 -0.445 1.00 5.23 H new ATOM 0 HB2 ALA A 98 12.843 1.228 0.409 1.00 5.23 H new ATOM 0 HB3 ALA A 98 13.176 1.014 -1.326 1.00 5.23 H new ATOM 1635 N ALA A 99 11.936 2.704 -3.292 1.00 52.41 N ATOM 1636 CA ALA A 99 12.167 3.333 -4.588 1.00 24.32 C ATOM 1637 C ALA A 99 10.976 4.190 -5.000 1.00 50.12 C ATOM 1638 O ALA A 99 11.118 5.162 -5.743 1.00 53.13 O ATOM 1639 CB ALA A 99 12.447 2.272 -5.643 1.00 3.35 C ATOM 0 H ALA A 99 11.690 1.715 -3.342 1.00 52.41 H new ATOM 0 HA ALA A 99 13.037 3.984 -4.502 1.00 24.32 H new ATOM 0 HB1 ALA A 99 12.618 2.753 -6.606 1.00 3.35 H new ATOM 0 HB2 ALA A 99 13.332 1.702 -5.360 1.00 3.35 H new ATOM 0 HB3 ALA A 99 11.592 1.600 -5.719 1.00 3.35 H new ATOM 1645 N PHE A 100 9.803 3.824 -4.507 1.00 50.53 N ATOM 1646 CA PHE A 100 8.589 4.559 -4.813 1.00 75.10 C ATOM 1647 C PHE A 100 8.393 5.681 -3.809 1.00 2.55 C ATOM 1648 O PHE A 100 8.238 5.442 -2.611 1.00 42.14 O ATOM 1649 CB PHE A 100 7.386 3.621 -4.814 1.00 23.44 C ATOM 1650 CG PHE A 100 7.508 2.519 -5.826 1.00 63.40 C ATOM 1651 CD1 PHE A 100 7.121 2.723 -7.139 1.00 32.15 C ATOM 1652 CD2 PHE A 100 8.020 1.287 -5.463 1.00 32.23 C ATOM 1653 CE1 PHE A 100 7.243 1.715 -8.074 1.00 42.24 C ATOM 1654 CE2 PHE A 100 8.142 0.274 -6.393 1.00 12.53 C ATOM 1655 CZ PHE A 100 7.753 0.487 -7.699 1.00 13.20 C ATOM 0 H PHE A 100 9.668 3.021 -3.893 1.00 50.53 H new ATOM 0 HA PHE A 100 8.682 4.995 -5.808 1.00 75.10 H new ATOM 0 HB2 PHE A 100 7.270 3.185 -3.822 1.00 23.44 H new ATOM 0 HB3 PHE A 100 6.483 4.196 -5.017 1.00 23.44 H new ATOM 0 HD1 PHE A 100 6.719 3.681 -7.435 1.00 32.15 H new ATOM 0 HD2 PHE A 100 8.327 1.115 -4.442 1.00 32.23 H new ATOM 0 HE1 PHE A 100 6.940 1.886 -9.097 1.00 42.24 H new ATOM 0 HE2 PHE A 100 8.542 -0.685 -6.098 1.00 12.53 H new ATOM 0 HZ PHE A 100 7.847 -0.305 -8.427 1.00 13.20 H new