USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 440 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 9 THR OG1 : rot 29:sc= 0.17 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.0172 K(o=-0.017,f=-0.83) USER MOD Single : A 19 THR OG1 : rot -115:sc= 0.565 USER MOD Single : A 20 ASN : amide:sc= -0.419 K(o=-0.42,f=-8.6!) USER MOD Single : A 23 GLN : amide:sc= -0.0574 K(o=-0.057,f=-1.6!) USER MOD Single : A 30 ASN : amide:sc=-0.00729 X(o=-0.0073,f=-0.4) USER MOD Single : A 33 TYR OH : rot 180:sc= -0.5 USER MOD Single : A 34 CYS SG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 54:sc= 0.00351 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= -0.163 X(o=-0.16,f=-0.43) USER MOD Single : A 47 GLN : amide:sc= -0.975 K(o=-0.97,f=-2.9) USER MOD Single : A 50 ASN : amide:sc= -0.338 X(o=-0.34,f=-0.00034) USER MOD Single : A 52 HIS : no HD1:sc= -0.558 K(o=-0.56,f=-1.4) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= -0.618 USER MOD Single : A 59 SER OG : rot 173:sc= -0.812 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 103 N THR A 9 15.537 1.822 -7.755 1.00 3.35 N ATOM 104 CA THR A 9 16.972 2.054 -7.647 1.00 1.20 C ATOM 105 C THR A 9 17.264 3.444 -7.092 1.00 64.43 C ATOM 106 O THR A 9 16.483 4.376 -7.281 1.00 75.32 O ATOM 107 CB THR A 9 17.670 1.901 -9.012 1.00 13.52 C ATOM 108 OG1 THR A 9 17.294 0.660 -9.618 1.00 30.32 O ATOM 109 CG2 THR A 9 19.182 1.958 -8.856 1.00 12.51 C ATOM 0 HA THR A 9 17.363 1.303 -6.961 1.00 1.20 H new ATOM 0 HB THR A 9 17.355 2.726 -9.651 1.00 13.52 H new ATOM 0 HG1 THR A 9 16.395 0.409 -9.320 1.00 30.32 H new ATOM 0 HG21 THR A 9 19.653 1.848 -9.833 1.00 12.51 H new ATOM 0 HG22 THR A 9 19.467 2.916 -8.422 1.00 12.51 H new ATOM 0 HG23 THR A 9 19.511 1.151 -8.201 1.00 12.51 H new ATOM 117 N VAL A 10 18.396 3.576 -6.407 1.00 53.41 N ATOM 118 CA VAL A 10 18.792 4.853 -5.826 1.00 43.52 C ATOM 119 C VAL A 10 20.069 5.378 -6.473 1.00 4.34 C ATOM 120 O VAL A 10 20.872 4.609 -7.001 1.00 60.13 O ATOM 121 CB VAL A 10 19.011 4.735 -4.306 1.00 54.01 C ATOM 122 CG1 VAL A 10 19.106 6.114 -3.671 1.00 63.12 C ATOM 123 CG2 VAL A 10 17.893 3.922 -3.670 1.00 3.34 C ATOM 0 H VAL A 10 19.054 2.815 -6.241 1.00 53.41 H new ATOM 0 HA VAL A 10 17.978 5.553 -6.015 1.00 43.52 H new ATOM 0 HB VAL A 10 19.953 4.216 -4.131 1.00 54.01 H new ATOM 0 HG11 VAL A 10 19.261 6.010 -2.597 1.00 63.12 H new ATOM 0 HG12 VAL A 10 19.943 6.659 -4.107 1.00 63.12 H new ATOM 0 HG13 VAL A 10 18.182 6.663 -3.853 1.00 63.12 H new ATOM 0 HG21 VAL A 10 18.063 3.848 -2.596 1.00 3.34 H new ATOM 0 HG22 VAL A 10 16.937 4.412 -3.853 1.00 3.34 H new ATOM 0 HG23 VAL A 10 17.877 2.922 -4.105 1.00 3.34 H new ATOM 133 N VAL A 11 20.252 6.694 -6.426 1.00 41.12 N ATOM 134 CA VAL A 11 21.433 7.323 -7.006 1.00 20.11 C ATOM 135 C VAL A 11 22.117 8.240 -5.999 1.00 4.32 C ATOM 136 O VAL A 11 21.457 8.902 -5.198 1.00 54.52 O ATOM 137 CB VAL A 11 21.075 8.136 -8.264 1.00 43.12 C ATOM 138 CG1 VAL A 11 20.561 7.220 -9.364 1.00 64.31 C ATOM 139 CG2 VAL A 11 20.050 9.209 -7.931 1.00 2.42 C ATOM 0 H VAL A 11 19.598 7.345 -5.992 1.00 41.12 H new ATOM 0 HA VAL A 11 22.116 6.520 -7.284 1.00 20.11 H new ATOM 0 HB VAL A 11 21.978 8.628 -8.626 1.00 43.12 H new ATOM 0 HG11 VAL A 11 20.313 7.813 -10.245 1.00 64.31 H new ATOM 0 HG12 VAL A 11 21.331 6.492 -9.621 1.00 64.31 H new ATOM 0 HG13 VAL A 11 19.670 6.698 -9.016 1.00 64.31 H new ATOM 0 HG21 VAL A 11 19.809 9.774 -8.832 1.00 2.42 H new ATOM 0 HG22 VAL A 11 19.145 8.740 -7.543 1.00 2.42 H new ATOM 0 HG23 VAL A 11 20.460 9.883 -7.179 1.00 2.42 H new ATOM 149 N ILE A 12 23.445 8.275 -6.045 1.00 71.50 N ATOM 150 CA ILE A 12 24.219 9.112 -5.137 1.00 51.35 C ATOM 151 C ILE A 12 24.710 10.374 -5.839 1.00 5.14 C ATOM 152 O ILE A 12 25.220 10.316 -6.957 1.00 41.32 O ATOM 153 CB ILE A 12 25.430 8.352 -4.564 1.00 54.33 C ATOM 154 CG1 ILE A 12 25.042 6.911 -4.227 1.00 53.12 C ATOM 155 CG2 ILE A 12 25.967 9.064 -3.332 1.00 13.23 C ATOM 156 CD1 ILE A 12 26.171 6.107 -3.622 1.00 43.05 C ATOM 0 H ILE A 12 24.007 7.733 -6.702 1.00 71.50 H new ATOM 0 HA ILE A 12 23.555 9.389 -4.318 1.00 51.35 H new ATOM 0 HB ILE A 12 26.217 8.329 -5.318 1.00 54.33 H new ATOM 0 HG12 ILE A 12 24.202 6.922 -3.532 1.00 53.12 H new ATOM 0 HG13 ILE A 12 24.699 6.414 -5.134 1.00 53.12 H new ATOM 0 HG21 ILE A 12 26.822 8.515 -2.938 1.00 13.23 H new ATOM 0 HG22 ILE A 12 26.277 10.074 -3.601 1.00 13.23 H new ATOM 0 HG23 ILE A 12 25.187 9.114 -2.572 1.00 13.23 H new ATOM 0 HD11 ILE A 12 25.824 5.096 -3.409 1.00 43.05 H new ATOM 0 HD12 ILE A 12 27.004 6.064 -4.324 1.00 43.05 H new ATOM 0 HD13 ILE A 12 26.500 6.580 -2.697 1.00 43.05 H new ATOM 168 N ALA A 13 24.555 11.513 -5.172 1.00 43.41 N ATOM 169 CA ALA A 13 24.987 12.789 -5.729 1.00 52.34 C ATOM 170 C ALA A 13 26.503 12.934 -5.659 1.00 42.15 C ATOM 171 O ALA A 13 27.107 12.744 -4.603 1.00 3.41 O ATOM 172 CB ALA A 13 24.311 13.940 -4.999 1.00 34.01 C ATOM 0 H ALA A 13 24.134 11.578 -4.245 1.00 43.41 H new ATOM 0 HA ALA A 13 24.694 12.816 -6.778 1.00 52.34 H new ATOM 0 HB1 ALA A 13 24.643 14.887 -5.426 1.00 34.01 H new ATOM 0 HB2 ALA A 13 23.230 13.853 -5.106 1.00 34.01 H new ATOM 0 HB3 ALA A 13 24.575 13.906 -3.942 1.00 34.01 H new ATOM 178 N LEU A 14 27.113 13.270 -6.791 1.00 4.24 N ATOM 179 CA LEU A 14 28.561 13.440 -6.858 1.00 33.10 C ATOM 180 C LEU A 14 28.954 14.884 -6.565 1.00 51.31 C ATOM 181 O LEU A 14 30.016 15.147 -6.000 1.00 32.01 O ATOM 182 CB LEU A 14 29.079 13.028 -8.237 1.00 53.01 C ATOM 183 CG LEU A 14 28.538 11.709 -8.791 1.00 3.05 C ATOM 184 CD1 LEU A 14 29.135 11.420 -10.159 1.00 53.24 C ATOM 185 CD2 LEU A 14 28.830 10.567 -7.828 1.00 3.21 C ATOM 0 H LEU A 14 26.628 13.430 -7.674 1.00 4.24 H new ATOM 0 HA LEU A 14 29.013 12.799 -6.101 1.00 33.10 H new ATOM 0 HB2 LEU A 14 28.840 13.822 -8.945 1.00 53.01 H new ATOM 0 HB3 LEU A 14 30.166 12.960 -8.189 1.00 53.01 H new ATOM 0 HG LEU A 14 27.457 11.799 -8.901 1.00 3.05 H new ATOM 0 HD11 LEU A 14 28.739 10.478 -10.537 1.00 53.24 H new ATOM 0 HD12 LEU A 14 28.876 12.225 -10.847 1.00 53.24 H new ATOM 0 HD13 LEU A 14 30.220 11.350 -10.075 1.00 53.24 H new ATOM 0 HD21 LEU A 14 28.438 9.636 -8.238 1.00 3.21 H new ATOM 0 HD22 LEU A 14 29.907 10.476 -7.687 1.00 3.21 H new ATOM 0 HD23 LEU A 14 28.354 10.770 -6.868 1.00 3.21 H new ATOM 197 N TYR A 15 28.090 15.817 -6.951 1.00 63.21 N ATOM 198 CA TYR A 15 28.347 17.235 -6.730 1.00 62.13 C ATOM 199 C TYR A 15 27.044 17.996 -6.506 1.00 42.23 C ATOM 200 O TYR A 15 25.975 17.557 -6.930 1.00 12.12 O ATOM 201 CB TYR A 15 29.100 17.830 -7.921 1.00 62.14 C ATOM 202 CG TYR A 15 30.330 17.043 -8.314 1.00 42.23 C ATOM 203 CD1 TYR A 15 30.239 15.963 -9.183 1.00 63.32 C ATOM 204 CD2 TYR A 15 31.583 17.380 -7.816 1.00 72.42 C ATOM 205 CE1 TYR A 15 31.360 15.240 -9.545 1.00 2.54 C ATOM 206 CE2 TYR A 15 32.709 16.664 -8.173 1.00 42.12 C ATOM 207 CZ TYR A 15 32.593 15.595 -9.037 1.00 52.44 C ATOM 208 OH TYR A 15 33.712 14.879 -9.394 1.00 43.24 O ATOM 0 H TYR A 15 27.206 15.616 -7.418 1.00 63.21 H new ATOM 0 HA TYR A 15 28.962 17.332 -5.835 1.00 62.13 H new ATOM 0 HB2 TYR A 15 28.426 17.885 -8.776 1.00 62.14 H new ATOM 0 HB3 TYR A 15 29.394 18.852 -7.681 1.00 62.14 H new ATOM 0 HD1 TYR A 15 29.275 15.683 -9.583 1.00 63.32 H new ATOM 0 HD2 TYR A 15 31.678 18.216 -7.139 1.00 72.42 H new ATOM 0 HE1 TYR A 15 31.272 14.403 -10.221 1.00 2.54 H new ATOM 0 HE2 TYR A 15 33.675 16.940 -7.778 1.00 42.12 H new ATOM 0 HH TYR A 15 34.499 15.259 -8.950 1.00 43.24 H new ATOM 218 N ASP A 16 27.143 19.140 -5.838 1.00 54.10 N ATOM 219 CA ASP A 16 25.973 19.965 -5.558 1.00 41.22 C ATOM 220 C ASP A 16 25.439 20.603 -6.837 1.00 63.22 C ATOM 221 O ASP A 16 25.898 21.669 -7.250 1.00 33.44 O ATOM 222 CB ASP A 16 26.321 21.051 -4.539 1.00 13.12 C ATOM 223 CG ASP A 16 27.182 20.528 -3.406 1.00 61.34 C ATOM 224 OD1 ASP A 16 28.415 20.445 -3.588 1.00 54.14 O ATOM 225 OD2 ASP A 16 26.624 20.200 -2.338 1.00 74.23 O ATOM 0 H ASP A 16 28.021 19.517 -5.480 1.00 54.10 H new ATOM 0 HA ASP A 16 25.197 19.322 -5.142 1.00 41.22 H new ATOM 0 HB2 ASP A 16 26.844 21.864 -5.043 1.00 13.12 H new ATOM 0 HB3 ASP A 16 25.401 21.469 -4.129 1.00 13.12 H new ATOM 230 N TYR A 17 24.469 19.943 -7.461 1.00 5.24 N ATOM 231 CA TYR A 17 23.876 20.444 -8.695 1.00 33.33 C ATOM 232 C TYR A 17 22.757 21.437 -8.397 1.00 74.02 C ATOM 233 O TYR A 17 22.064 21.323 -7.386 1.00 61.13 O ATOM 234 CB TYR A 17 23.334 19.284 -9.532 1.00 31.43 C ATOM 235 CG TYR A 17 22.528 19.727 -10.732 1.00 3.32 C ATOM 236 CD1 TYR A 17 23.156 20.193 -11.880 1.00 51.55 C ATOM 237 CD2 TYR A 17 21.140 19.681 -10.717 1.00 12.52 C ATOM 238 CE1 TYR A 17 22.424 20.601 -12.979 1.00 61.42 C ATOM 239 CE2 TYR A 17 20.400 20.085 -11.811 1.00 51.13 C ATOM 240 CZ TYR A 17 21.046 20.544 -12.940 1.00 5.11 C ATOM 241 OH TYR A 17 20.313 20.948 -14.032 1.00 0.52 O ATOM 0 H TYR A 17 24.077 19.060 -7.132 1.00 5.24 H new ATOM 0 HA TYR A 17 24.653 20.959 -9.260 1.00 33.33 H new ATOM 0 HB2 TYR A 17 24.169 18.671 -9.872 1.00 31.43 H new ATOM 0 HB3 TYR A 17 22.711 18.651 -8.900 1.00 31.43 H new ATOM 0 HD1 TYR A 17 24.235 20.237 -11.914 1.00 51.55 H new ATOM 0 HD2 TYR A 17 20.630 19.323 -9.835 1.00 12.52 H new ATOM 0 HE1 TYR A 17 22.928 20.962 -13.863 1.00 61.42 H new ATOM 0 HE2 TYR A 17 19.321 20.042 -11.783 1.00 51.13 H new ATOM 0 HH TYR A 17 19.357 20.843 -13.841 1.00 0.52 H new ATOM 251 N GLN A 18 22.587 22.410 -9.286 1.00 55.31 N ATOM 252 CA GLN A 18 21.552 23.424 -9.119 1.00 51.24 C ATOM 253 C GLN A 18 20.808 23.663 -10.429 1.00 51.11 C ATOM 254 O GLN A 18 21.390 23.579 -11.511 1.00 51.21 O ATOM 255 CB GLN A 18 22.167 24.734 -8.622 1.00 72.41 C ATOM 256 CG GLN A 18 22.045 24.931 -7.120 1.00 21.13 C ATOM 257 CD GLN A 18 20.836 25.762 -6.736 1.00 64.32 C ATOM 258 OE1 GLN A 18 19.865 25.849 -7.488 1.00 1.30 O ATOM 259 NE2 GLN A 18 20.890 26.377 -5.561 1.00 14.22 N ATOM 0 H GLN A 18 23.152 22.518 -10.128 1.00 55.31 H new ATOM 0 HA GLN A 18 20.839 23.061 -8.378 1.00 51.24 H new ATOM 0 HB2 GLN A 18 23.221 24.759 -8.899 1.00 72.41 H new ATOM 0 HB3 GLN A 18 21.684 25.569 -9.130 1.00 72.41 H new ATOM 0 HG2 GLN A 18 21.981 23.958 -6.634 1.00 21.13 H new ATOM 0 HG3 GLN A 18 22.947 25.415 -6.747 1.00 21.13 H new ATOM 0 HE21 GLN A 18 21.715 26.277 -4.970 1.00 14.22 H new ATOM 0 HE22 GLN A 18 20.106 26.950 -5.249 1.00 14.22 H new ATOM 268 N THR A 19 19.516 23.961 -10.325 1.00 4.24 N ATOM 269 CA THR A 19 18.692 24.211 -11.500 1.00 61.22 C ATOM 270 C THR A 19 18.299 25.681 -11.594 1.00 34.51 C ATOM 271 O THR A 19 18.320 26.403 -10.598 1.00 41.15 O ATOM 272 CB THR A 19 17.415 23.349 -11.484 1.00 43.32 C ATOM 273 OG1 THR A 19 16.514 23.790 -12.506 1.00 0.10 O ATOM 274 CG2 THR A 19 16.729 23.424 -10.129 1.00 11.13 C ATOM 0 H THR A 19 19.018 24.035 -9.438 1.00 4.24 H new ATOM 0 HA THR A 19 19.292 23.943 -12.370 1.00 61.22 H new ATOM 0 HB THR A 19 17.699 22.314 -11.673 1.00 43.32 H new ATOM 0 HG1 THR A 19 15.702 24.151 -12.093 1.00 0.10 H new ATOM 0 HG21 THR A 19 15.830 22.808 -10.142 1.00 11.13 H new ATOM 0 HG22 THR A 19 17.407 23.060 -9.357 1.00 11.13 H new ATOM 0 HG23 THR A 19 16.457 24.458 -9.916 1.00 11.13 H new ATOM 282 N ASN A 20 17.939 26.116 -12.797 1.00 14.53 N ATOM 283 CA ASN A 20 17.540 27.501 -13.020 1.00 12.41 C ATOM 284 C ASN A 20 16.023 27.649 -12.950 1.00 32.42 C ATOM 285 O ASN A 20 15.506 28.734 -12.683 1.00 31.41 O ATOM 286 CB ASN A 20 18.048 27.988 -14.378 1.00 63.25 C ATOM 287 CG ASN A 20 17.795 26.982 -15.485 1.00 21.24 C ATOM 288 OD1 ASN A 20 16.941 26.105 -15.357 1.00 73.44 O ATOM 289 ND2 ASN A 20 18.539 27.105 -16.578 1.00 23.44 N ATOM 0 H ASN A 20 17.915 25.530 -13.632 1.00 14.53 H new ATOM 0 HA ASN A 20 17.984 28.111 -12.233 1.00 12.41 H new ATOM 0 HB2 ASN A 20 17.560 28.930 -14.629 1.00 63.25 H new ATOM 0 HB3 ASN A 20 19.117 28.190 -14.312 1.00 63.25 H new ATOM 0 HD21 ASN A 20 18.414 26.457 -17.356 1.00 23.44 H new ATOM 0 HD22 ASN A 20 19.235 27.848 -16.640 1.00 23.44 H new ATOM 296 N ASP A 21 15.316 26.550 -13.191 1.00 13.24 N ATOM 297 CA ASP A 21 13.858 26.556 -13.153 1.00 71.23 C ATOM 298 C ASP A 21 13.336 25.528 -12.154 1.00 71.45 C ATOM 299 O ASP A 21 14.035 24.591 -11.768 1.00 4.25 O ATOM 300 CB ASP A 21 13.290 26.268 -14.544 1.00 13.41 C ATOM 301 CG ASP A 21 13.064 27.532 -15.350 1.00 4.51 C ATOM 302 OD1 ASP A 21 13.925 28.436 -15.290 1.00 71.01 O ATOM 303 OD2 ASP A 21 12.028 27.618 -16.041 1.00 42.12 O ATOM 0 H ASP A 21 15.729 25.644 -13.415 1.00 13.24 H new ATOM 0 HA ASP A 21 13.531 27.545 -12.833 1.00 71.23 H new ATOM 0 HB2 ASP A 21 13.974 25.614 -15.084 1.00 13.41 H new ATOM 0 HB3 ASP A 21 12.347 25.731 -14.444 1.00 13.41 H new ATOM 308 N PRO A 22 12.078 25.705 -11.725 1.00 74.23 N ATOM 309 CA PRO A 22 11.434 24.803 -10.766 1.00 21.24 C ATOM 310 C PRO A 22 11.140 23.432 -11.365 1.00 65.04 C ATOM 311 O PRO A 22 10.860 22.476 -10.643 1.00 1.12 O ATOM 312 CB PRO A 22 10.130 25.525 -10.419 1.00 51.41 C ATOM 313 CG PRO A 22 9.846 26.383 -11.604 1.00 11.14 C ATOM 314 CD PRO A 22 11.186 26.799 -12.144 1.00 51.24 C ATOM 0 HA PRO A 22 12.071 24.605 -9.904 1.00 21.24 H new ATOM 0 HB2 PRO A 22 9.321 24.817 -10.240 1.00 51.41 H new ATOM 0 HB3 PRO A 22 10.237 26.123 -9.514 1.00 51.41 H new ATOM 0 HG2 PRO A 22 9.276 25.836 -12.354 1.00 11.14 H new ATOM 0 HG3 PRO A 22 9.251 27.252 -11.323 1.00 11.14 H new ATOM 0 HD2 PRO A 22 11.166 26.908 -13.228 1.00 51.24 H new ATOM 0 HD3 PRO A 22 11.505 27.757 -11.733 1.00 51.24 H new ATOM 322 N GLN A 23 11.207 23.344 -12.690 1.00 3.01 N ATOM 323 CA GLN A 23 10.948 22.089 -13.386 1.00 0.23 C ATOM 324 C GLN A 23 11.951 21.019 -12.970 1.00 25.43 C ATOM 325 O GLN A 23 11.593 19.855 -12.791 1.00 11.32 O ATOM 326 CB GLN A 23 11.007 22.299 -14.900 1.00 0.53 C ATOM 327 CG GLN A 23 10.276 21.228 -15.692 1.00 32.42 C ATOM 328 CD GLN A 23 10.660 21.221 -17.158 1.00 42.32 C ATOM 329 OE1 GLN A 23 11.717 21.727 -17.537 1.00 24.51 O ATOM 330 NE2 GLN A 23 9.802 20.647 -17.993 1.00 53.40 N ATOM 0 H GLN A 23 11.438 24.126 -13.302 1.00 3.01 H new ATOM 0 HA GLN A 23 9.949 21.751 -13.112 1.00 0.23 H new ATOM 0 HB2 GLN A 23 10.579 23.272 -15.140 1.00 0.53 H new ATOM 0 HB3 GLN A 23 12.050 22.323 -15.215 1.00 0.53 H new ATOM 0 HG2 GLN A 23 10.492 20.251 -15.259 1.00 32.42 H new ATOM 0 HG3 GLN A 23 9.201 21.386 -15.603 1.00 32.42 H new ATOM 0 HE21 GLN A 23 8.938 20.240 -17.636 1.00 53.40 H new ATOM 0 HE22 GLN A 23 10.007 20.613 -18.992 1.00 53.40 H new ATOM 339 N GLU A 24 13.210 21.421 -12.818 1.00 75.40 N ATOM 340 CA GLU A 24 14.265 20.494 -12.424 1.00 55.22 C ATOM 341 C GLU A 24 14.600 20.649 -10.944 1.00 11.24 C ATOM 342 O GLU A 24 14.273 21.662 -10.324 1.00 13.21 O ATOM 343 CB GLU A 24 15.519 20.726 -13.269 1.00 72.44 C ATOM 344 CG GLU A 24 15.224 20.996 -14.735 1.00 53.22 C ATOM 345 CD GLU A 24 16.184 20.281 -15.665 1.00 72.54 C ATOM 346 OE1 GLU A 24 16.410 19.069 -15.466 1.00 32.54 O ATOM 347 OE2 GLU A 24 16.709 20.932 -16.592 1.00 61.33 O ATOM 0 H GLU A 24 13.523 22.381 -12.962 1.00 75.40 H new ATOM 0 HA GLU A 24 13.904 19.479 -12.593 1.00 55.22 H new ATOM 0 HB2 GLU A 24 16.073 21.569 -12.857 1.00 72.44 H new ATOM 0 HB3 GLU A 24 16.165 19.852 -13.192 1.00 72.44 H new ATOM 0 HG2 GLU A 24 14.205 20.682 -14.960 1.00 53.22 H new ATOM 0 HG3 GLU A 24 15.276 22.069 -14.920 1.00 53.22 H new ATOM 354 N LEU A 25 15.254 19.638 -10.382 1.00 52.24 N ATOM 355 CA LEU A 25 15.634 19.660 -8.974 1.00 51.41 C ATOM 356 C LEU A 25 17.137 19.866 -8.819 1.00 63.30 C ATOM 357 O LEU A 25 17.878 19.865 -9.801 1.00 44.55 O ATOM 358 CB LEU A 25 15.212 18.358 -8.291 1.00 42.31 C ATOM 359 CG LEU A 25 14.179 18.491 -7.172 1.00 12.40 C ATOM 360 CD1 LEU A 25 12.940 19.218 -7.673 1.00 21.51 C ATOM 361 CD2 LEU A 25 13.810 17.122 -6.621 1.00 21.32 C ATOM 0 H LEU A 25 15.532 18.793 -10.880 1.00 52.24 H new ATOM 0 HA LEU A 25 15.121 20.495 -8.497 1.00 51.41 H new ATOM 0 HB2 LEU A 25 14.811 17.686 -9.050 1.00 42.31 H new ATOM 0 HB3 LEU A 25 16.102 17.881 -7.881 1.00 42.31 H new ATOM 0 HG LEU A 25 14.619 19.078 -6.366 1.00 12.40 H new ATOM 0 HD11 LEU A 25 12.216 19.303 -6.863 1.00 21.51 H new ATOM 0 HD12 LEU A 25 13.217 20.214 -8.018 1.00 21.51 H new ATOM 0 HD13 LEU A 25 12.498 18.658 -8.497 1.00 21.51 H new ATOM 0 HD21 LEU A 25 13.074 17.236 -5.825 1.00 21.32 H new ATOM 0 HD22 LEU A 25 13.390 16.510 -7.419 1.00 21.32 H new ATOM 0 HD23 LEU A 25 14.702 16.638 -6.223 1.00 21.32 H new ATOM 373 N ALA A 26 17.581 20.039 -7.578 1.00 72.52 N ATOM 374 CA ALA A 26 18.996 20.240 -7.294 1.00 2.30 C ATOM 375 C ALA A 26 19.574 19.061 -6.519 1.00 0.12 C ATOM 376 O ALA A 26 18.878 18.424 -5.728 1.00 35.15 O ATOM 377 CB ALA A 26 19.200 21.534 -6.520 1.00 13.23 C ATOM 0 H ALA A 26 16.981 20.044 -6.753 1.00 72.52 H new ATOM 0 HA ALA A 26 19.525 20.310 -8.244 1.00 2.30 H new ATOM 0 HB1 ALA A 26 20.262 21.672 -6.315 1.00 13.23 H new ATOM 0 HB2 ALA A 26 18.833 22.373 -7.111 1.00 13.23 H new ATOM 0 HB3 ALA A 26 18.652 21.486 -5.579 1.00 13.23 H new ATOM 383 N LEU A 27 20.850 18.775 -6.751 1.00 3.01 N ATOM 384 CA LEU A 27 21.522 17.671 -6.074 1.00 62.14 C ATOM 385 C LEU A 27 22.439 18.186 -4.970 1.00 1.42 C ATOM 386 O LEU A 27 22.897 19.328 -5.012 1.00 11.41 O ATOM 387 CB LEU A 27 22.329 16.846 -7.079 1.00 52.31 C ATOM 388 CG LEU A 27 21.578 16.393 -8.332 1.00 30.14 C ATOM 389 CD1 LEU A 27 22.554 16.072 -9.453 1.00 4.25 C ATOM 390 CD2 LEU A 27 20.704 15.186 -8.022 1.00 12.41 C ATOM 0 H LEU A 27 21.440 19.292 -7.403 1.00 3.01 H new ATOM 0 HA LEU A 27 20.759 17.037 -5.621 1.00 62.14 H new ATOM 0 HB2 LEU A 27 23.193 17.433 -7.390 1.00 52.31 H new ATOM 0 HB3 LEU A 27 22.711 15.962 -6.569 1.00 52.31 H new ATOM 0 HG LEU A 27 20.934 17.209 -8.661 1.00 30.14 H new ATOM 0 HD11 LEU A 27 22.001 15.752 -10.336 1.00 4.25 H new ATOM 0 HD12 LEU A 27 23.138 16.961 -9.693 1.00 4.25 H new ATOM 0 HD13 LEU A 27 23.224 15.273 -9.135 1.00 4.25 H new ATOM 0 HD21 LEU A 27 20.177 14.877 -8.925 1.00 12.41 H new ATOM 0 HD22 LEU A 27 21.329 14.366 -7.668 1.00 12.41 H new ATOM 0 HD23 LEU A 27 19.980 15.450 -7.251 1.00 12.41 H new ATOM 402 N ARG A 28 22.705 17.336 -3.983 1.00 54.14 N ATOM 403 CA ARG A 28 23.568 17.705 -2.868 1.00 51.31 C ATOM 404 C ARG A 28 24.699 16.695 -2.699 1.00 1.33 C ATOM 405 O ARG A 28 24.458 15.495 -2.565 1.00 44.44 O ATOM 406 CB ARG A 28 22.755 17.798 -1.575 1.00 41.45 C ATOM 407 CG ARG A 28 23.496 18.483 -0.438 1.00 71.52 C ATOM 408 CD ARG A 28 23.549 19.989 -0.635 1.00 1.52 C ATOM 409 NE ARG A 28 24.457 20.633 0.311 1.00 41.12 N ATOM 410 CZ ARG A 28 24.138 20.898 1.573 1.00 74.53 C ATOM 411 NH1 ARG A 28 22.939 20.575 2.038 1.00 32.21 N ATOM 412 NH2 ARG A 28 25.018 21.486 2.372 1.00 24.52 N ATOM 0 H ARG A 28 22.335 16.387 -3.933 1.00 54.14 H new ATOM 0 HA ARG A 28 24.004 18.680 -3.086 1.00 51.31 H new ATOM 0 HB2 ARG A 28 21.831 18.341 -1.775 1.00 41.45 H new ATOM 0 HB3 ARG A 28 22.472 16.793 -1.260 1.00 41.45 H new ATOM 0 HG2 ARG A 28 23.004 18.256 0.508 1.00 71.52 H new ATOM 0 HG3 ARG A 28 24.510 18.088 -0.373 1.00 71.52 H new ATOM 0 HD2 ARG A 28 23.869 20.210 -1.653 1.00 1.52 H new ATOM 0 HD3 ARG A 28 22.548 20.405 -0.518 1.00 1.52 H new ATOM 0 HE ARG A 28 25.387 20.894 -0.016 1.00 41.12 H new ATOM 0 HH11 ARG A 28 22.260 20.122 1.426 1.00 32.21 H new ATOM 0 HH12 ARG A 28 22.696 20.779 3.007 1.00 32.21 H new ATOM 0 HH21 ARG A 28 25.941 21.736 2.018 1.00 24.52 H new ATOM 0 HH22 ARG A 28 24.771 21.689 3.341 1.00 24.52 H new ATOM 426 N ARG A 29 25.933 17.190 -2.706 1.00 33.35 N ATOM 427 CA ARG A 29 27.101 16.331 -2.554 1.00 71.45 C ATOM 428 C ARG A 29 26.953 15.420 -1.339 1.00 13.20 C ATOM 429 O ARG A 29 26.524 15.858 -0.272 1.00 61.31 O ATOM 430 CB ARG A 29 28.368 17.176 -2.420 1.00 5.40 C ATOM 431 CG ARG A 29 29.642 16.426 -2.773 1.00 30.50 C ATOM 432 CD ARG A 29 30.739 17.374 -3.231 1.00 21.22 C ATOM 433 NE ARG A 29 31.538 17.867 -2.112 1.00 50.32 N ATOM 434 CZ ARG A 29 32.530 18.740 -2.246 1.00 41.35 C ATOM 435 NH1 ARG A 29 32.843 19.214 -3.445 1.00 24.24 N ATOM 436 NH2 ARG A 29 33.211 19.142 -1.181 1.00 30.34 N ATOM 0 H ARG A 29 26.149 18.181 -2.815 1.00 33.35 H new ATOM 0 HA ARG A 29 27.180 15.708 -3.445 1.00 71.45 H new ATOM 0 HB2 ARG A 29 28.281 18.050 -3.065 1.00 5.40 H new ATOM 0 HB3 ARG A 29 28.444 17.542 -1.396 1.00 5.40 H new ATOM 0 HG2 ARG A 29 29.986 15.862 -1.906 1.00 30.50 H new ATOM 0 HG3 ARG A 29 29.433 15.702 -3.561 1.00 30.50 H new ATOM 0 HD2 ARG A 29 31.388 16.862 -3.942 1.00 21.22 H new ATOM 0 HD3 ARG A 29 30.293 18.218 -3.757 1.00 21.22 H new ATOM 0 HE ARG A 29 31.322 17.522 -1.177 1.00 50.32 H new ATOM 0 HH11 ARG A 29 32.321 18.908 -4.266 1.00 24.24 H new ATOM 0 HH12 ARG A 29 33.605 19.884 -3.545 1.00 24.24 H new ATOM 0 HH21 ARG A 29 32.973 18.781 -0.257 1.00 30.34 H new ATOM 0 HH22 ARG A 29 33.973 19.812 -1.286 1.00 30.34 H new ATOM 450 N ASN A 30 27.310 14.151 -1.509 1.00 50.43 N ATOM 451 CA ASN A 30 27.216 13.179 -0.427 1.00 33.23 C ATOM 452 C ASN A 30 25.764 12.976 -0.002 1.00 43.32 C ATOM 453 O ASN A 30 25.422 13.140 1.168 1.00 34.12 O ATOM 454 CB ASN A 30 28.050 13.636 0.772 1.00 62.15 C ATOM 455 CG ASN A 30 29.448 14.068 0.372 1.00 72.23 C ATOM 456 OD1 ASN A 30 30.023 13.542 -0.581 1.00 41.24 O ATOM 457 ND2 ASN A 30 30.001 15.030 1.101 1.00 52.01 N ATOM 0 H ASN A 30 27.667 13.772 -2.386 1.00 50.43 H new ATOM 0 HA ASN A 30 27.606 12.229 -0.792 1.00 33.23 H new ATOM 0 HB2 ASN A 30 27.545 14.464 1.268 1.00 62.15 H new ATOM 0 HB3 ASN A 30 28.117 12.824 1.496 1.00 62.15 H new ATOM 0 HD21 ASN A 30 30.940 15.362 0.880 1.00 52.01 H new ATOM 0 HD22 ASN A 30 29.487 15.437 1.882 1.00 52.01 H new ATOM 464 N GLU A 31 24.917 12.619 -0.962 1.00 70.12 N ATOM 465 CA GLU A 31 23.503 12.394 -0.687 1.00 53.32 C ATOM 466 C GLU A 31 22.925 11.343 -1.630 1.00 63.32 C ATOM 467 O GLU A 31 23.546 10.984 -2.630 1.00 62.21 O ATOM 468 CB GLU A 31 22.720 13.702 -0.823 1.00 51.02 C ATOM 469 CG GLU A 31 21.657 13.890 0.247 1.00 65.44 C ATOM 470 CD GLU A 31 20.292 13.402 -0.196 1.00 35.12 C ATOM 471 OE1 GLU A 31 19.881 13.736 -1.327 1.00 14.32 O ATOM 472 OE2 GLU A 31 19.634 12.687 0.588 1.00 33.42 O ATOM 0 H GLU A 31 25.185 12.479 -1.936 1.00 70.12 H new ATOM 0 HA GLU A 31 23.412 12.028 0.336 1.00 53.32 H new ATOM 0 HB2 GLU A 31 23.417 14.539 -0.781 1.00 51.02 H new ATOM 0 HB3 GLU A 31 22.245 13.731 -1.804 1.00 51.02 H new ATOM 0 HG2 GLU A 31 21.955 13.355 1.148 1.00 65.44 H new ATOM 0 HG3 GLU A 31 21.594 14.946 0.510 1.00 65.44 H new ATOM 479 N GLU A 32 21.733 10.853 -1.303 1.00 5.22 N ATOM 480 CA GLU A 32 21.073 9.842 -2.120 1.00 22.22 C ATOM 481 C GLU A 32 19.749 10.366 -2.669 1.00 65.45 C ATOM 482 O GLU A 32 19.168 11.306 -2.127 1.00 62.21 O ATOM 483 CB GLU A 32 20.831 8.572 -1.302 1.00 24.43 C ATOM 484 CG GLU A 32 21.967 7.566 -1.389 1.00 22.00 C ATOM 485 CD GLU A 32 22.093 6.718 -0.138 1.00 3.41 C ATOM 486 OE1 GLU A 32 21.108 6.638 0.625 1.00 11.02 O ATOM 487 OE2 GLU A 32 23.176 6.136 0.078 1.00 5.12 O ATOM 0 H GLU A 32 21.205 11.140 -0.479 1.00 5.22 H new ATOM 0 HA GLU A 32 21.727 9.606 -2.959 1.00 22.22 H new ATOM 0 HB2 GLU A 32 20.679 8.846 -0.258 1.00 24.43 H new ATOM 0 HB3 GLU A 32 19.911 8.099 -1.645 1.00 24.43 H new ATOM 0 HG2 GLU A 32 21.807 6.916 -2.249 1.00 22.00 H new ATOM 0 HG3 GLU A 32 22.904 8.096 -1.560 1.00 22.00 H new ATOM 494 N TYR A 33 19.280 9.751 -3.749 1.00 74.21 N ATOM 495 CA TYR A 33 18.026 10.156 -4.375 1.00 5.12 C ATOM 496 C TYR A 33 17.298 8.953 -4.965 1.00 61.42 C ATOM 497 O TYR A 33 17.881 8.165 -5.712 1.00 54.52 O ATOM 498 CB TYR A 33 18.290 11.193 -5.468 1.00 11.43 C ATOM 499 CG TYR A 33 18.824 12.506 -4.941 1.00 22.04 C ATOM 500 CD1 TYR A 33 20.190 12.719 -4.807 1.00 5.15 C ATOM 501 CD2 TYR A 33 17.962 13.534 -4.578 1.00 22.43 C ATOM 502 CE1 TYR A 33 20.683 13.916 -4.325 1.00 13.43 C ATOM 503 CE2 TYR A 33 18.446 14.735 -4.096 1.00 74.13 C ATOM 504 CZ TYR A 33 19.806 14.921 -3.971 1.00 45.31 C ATOM 505 OH TYR A 33 20.293 16.116 -3.492 1.00 50.01 O ATOM 0 H TYR A 33 19.749 8.971 -4.209 1.00 74.21 H new ATOM 0 HA TYR A 33 17.392 10.600 -3.607 1.00 5.12 H new ATOM 0 HB2 TYR A 33 19.002 10.782 -6.183 1.00 11.43 H new ATOM 0 HB3 TYR A 33 17.364 11.379 -6.012 1.00 11.43 H new ATOM 0 HD1 TYR A 33 20.879 11.935 -5.085 1.00 5.15 H new ATOM 0 HD2 TYR A 33 16.896 13.392 -4.674 1.00 22.43 H new ATOM 0 HE1 TYR A 33 21.748 14.064 -4.226 1.00 13.43 H new ATOM 0 HE2 TYR A 33 17.762 15.524 -3.819 1.00 74.13 H new ATOM 0 HH TYR A 33 19.545 16.717 -3.290 1.00 50.01 H new ATOM 515 N CYS A 34 16.021 8.817 -4.625 1.00 42.21 N ATOM 516 CA CYS A 34 15.211 7.710 -5.121 1.00 23.15 C ATOM 517 C CYS A 34 14.926 7.869 -6.610 1.00 61.14 C ATOM 518 O CYS A 34 14.118 8.707 -7.013 1.00 1.02 O ATOM 519 CB CYS A 34 13.897 7.625 -4.344 1.00 32.45 C ATOM 520 SG CYS A 34 14.032 6.771 -2.755 1.00 60.35 S ATOM 0 H CYS A 34 15.524 9.460 -4.008 1.00 42.21 H new ATOM 0 HA CYS A 34 15.772 6.787 -4.974 1.00 23.15 H new ATOM 0 HB2 CYS A 34 13.524 8.634 -4.171 1.00 32.45 H new ATOM 0 HB3 CYS A 34 13.157 7.112 -4.958 1.00 32.45 H new ATOM 0 HG CYS A 34 12.870 6.752 -2.172 1.00 60.35 H new ATOM 526 N LEU A 35 15.595 7.061 -7.425 1.00 23.31 N ATOM 527 CA LEU A 35 15.415 7.112 -8.872 1.00 3.33 C ATOM 528 C LEU A 35 13.983 6.753 -9.255 1.00 45.05 C ATOM 529 O LEU A 35 13.421 5.779 -8.754 1.00 72.43 O ATOM 530 CB LEU A 35 16.394 6.161 -9.561 1.00 64.45 C ATOM 531 CG LEU A 35 16.877 6.584 -10.949 1.00 73.14 C ATOM 532 CD1 LEU A 35 15.710 6.653 -11.922 1.00 34.00 C ATOM 533 CD2 LEU A 35 17.595 7.924 -10.879 1.00 34.21 C ATOM 0 H LEU A 35 16.267 6.362 -7.108 1.00 23.31 H new ATOM 0 HA LEU A 35 15.615 8.131 -9.203 1.00 3.33 H new ATOM 0 HB2 LEU A 35 17.265 6.039 -8.917 1.00 64.45 H new ATOM 0 HB3 LEU A 35 15.920 5.183 -9.646 1.00 64.45 H new ATOM 0 HG LEU A 35 17.582 5.835 -11.311 1.00 73.14 H new ATOM 0 HD11 LEU A 35 16.073 6.956 -12.904 1.00 34.00 H new ATOM 0 HD12 LEU A 35 15.239 5.673 -11.995 1.00 34.00 H new ATOM 0 HD13 LEU A 35 14.981 7.380 -11.565 1.00 34.00 H new ATOM 0 HD21 LEU A 35 17.932 8.209 -11.876 1.00 34.21 H new ATOM 0 HD22 LEU A 35 16.913 8.683 -10.496 1.00 34.21 H new ATOM 0 HD23 LEU A 35 18.456 7.841 -10.215 1.00 34.21 H new ATOM 545 N LEU A 36 13.400 7.544 -10.149 1.00 13.44 N ATOM 546 CA LEU A 36 12.033 7.309 -10.602 1.00 64.23 C ATOM 547 C LEU A 36 11.996 7.045 -12.104 1.00 42.12 C ATOM 548 O LEU A 36 11.391 6.074 -12.559 1.00 52.43 O ATOM 549 CB LEU A 36 11.148 8.509 -10.262 1.00 31.44 C ATOM 550 CG LEU A 36 10.855 8.726 -8.777 1.00 10.53 C ATOM 551 CD1 LEU A 36 11.604 9.944 -8.258 1.00 12.21 C ATOM 552 CD2 LEU A 36 9.359 8.880 -8.545 1.00 72.41 C ATOM 0 H LEU A 36 13.852 8.353 -10.574 1.00 13.44 H new ATOM 0 HA LEU A 36 11.652 6.427 -10.086 1.00 64.23 H new ATOM 0 HB2 LEU A 36 11.623 9.408 -10.653 1.00 31.44 H new ATOM 0 HB3 LEU A 36 10.199 8.396 -10.787 1.00 31.44 H new ATOM 0 HG LEU A 36 11.200 7.850 -8.227 1.00 10.53 H new ATOM 0 HD11 LEU A 36 11.383 10.083 -7.200 1.00 12.21 H new ATOM 0 HD12 LEU A 36 12.676 9.795 -8.389 1.00 12.21 H new ATOM 0 HD13 LEU A 36 11.290 10.828 -8.813 1.00 12.21 H new ATOM 0 HD21 LEU A 36 9.169 9.034 -7.483 1.00 72.41 H new ATOM 0 HD22 LEU A 36 8.990 9.738 -9.107 1.00 72.41 H new ATOM 0 HD23 LEU A 36 8.844 7.979 -8.879 1.00 72.41 H new ATOM 564 N ASP A 37 12.649 7.914 -12.868 1.00 72.24 N ATOM 565 CA ASP A 37 12.693 7.773 -14.319 1.00 44.32 C ATOM 566 C ASP A 37 14.096 8.054 -14.850 1.00 20.35 C ATOM 567 O ASP A 37 14.605 9.168 -14.728 1.00 71.13 O ATOM 568 CB ASP A 37 11.688 8.720 -14.976 1.00 13.21 C ATOM 569 CG ASP A 37 10.684 7.987 -15.844 1.00 41.32 C ATOM 570 OD1 ASP A 37 11.067 7.541 -16.946 1.00 2.52 O ATOM 571 OD2 ASP A 37 9.515 7.860 -15.423 1.00 2.34 O ATOM 0 H ASP A 37 13.155 8.723 -12.507 1.00 72.24 H new ATOM 0 HA ASP A 37 12.428 6.745 -14.567 1.00 44.32 H new ATOM 0 HB2 ASP A 37 11.158 9.276 -14.203 1.00 13.21 H new ATOM 0 HB3 ASP A 37 12.224 9.450 -15.583 1.00 13.21 H new ATOM 576 N SER A 38 14.716 7.035 -15.437 1.00 31.14 N ATOM 577 CA SER A 38 16.062 7.170 -15.981 1.00 52.30 C ATOM 578 C SER A 38 16.072 6.891 -17.481 1.00 31.52 C ATOM 579 O SER A 38 16.282 5.756 -17.910 1.00 52.35 O ATOM 580 CB SER A 38 17.022 6.217 -15.267 1.00 0.44 C ATOM 581 OG SER A 38 16.406 4.966 -15.015 1.00 52.30 O ATOM 0 H SER A 38 14.307 6.107 -15.548 1.00 31.14 H new ATOM 0 HA SER A 38 16.392 8.196 -15.817 1.00 52.30 H new ATOM 0 HB2 SER A 38 17.914 6.070 -15.876 1.00 0.44 H new ATOM 0 HB3 SER A 38 17.348 6.661 -14.327 1.00 0.44 H new ATOM 0 HG SER A 38 16.053 4.600 -15.853 1.00 52.30 H new ATOM 587 N SER A 39 15.843 7.933 -18.272 1.00 42.55 N ATOM 588 CA SER A 39 15.822 7.801 -19.724 1.00 73.25 C ATOM 589 C SER A 39 17.222 7.973 -20.306 1.00 75.44 C ATOM 590 O SER A 39 17.640 7.212 -21.179 1.00 15.30 O ATOM 591 CB SER A 39 14.872 8.831 -20.338 1.00 10.40 C ATOM 592 OG SER A 39 14.555 8.499 -21.679 1.00 25.24 O ATOM 0 H SER A 39 15.669 8.879 -17.932 1.00 42.55 H new ATOM 0 HA SER A 39 15.467 6.800 -19.967 1.00 73.25 H new ATOM 0 HB2 SER A 39 13.957 8.884 -19.747 1.00 10.40 H new ATOM 0 HB3 SER A 39 15.331 9.819 -20.304 1.00 10.40 H new ATOM 0 HG SER A 39 13.945 9.172 -22.047 1.00 25.24 H new ATOM 598 N GLU A 40 17.940 8.978 -19.816 1.00 62.30 N ATOM 599 CA GLU A 40 19.293 9.250 -20.288 1.00 12.31 C ATOM 600 C GLU A 40 19.935 10.374 -19.480 1.00 13.41 C ATOM 601 O GLU A 40 19.259 11.073 -18.723 1.00 64.32 O ATOM 602 CB GLU A 40 19.274 9.621 -21.772 1.00 72.13 C ATOM 603 CG GLU A 40 20.501 9.148 -22.533 1.00 70.14 C ATOM 604 CD GLU A 40 20.149 8.277 -23.724 1.00 43.31 C ATOM 605 OE1 GLU A 40 19.860 7.080 -23.518 1.00 12.02 O ATOM 606 OE2 GLU A 40 20.164 8.792 -24.861 1.00 52.44 O ATOM 0 H GLU A 40 17.608 9.617 -19.093 1.00 62.30 H new ATOM 0 HA GLU A 40 19.886 8.345 -20.155 1.00 12.31 H new ATOM 0 HB2 GLU A 40 18.384 9.194 -22.233 1.00 72.13 H new ATOM 0 HB3 GLU A 40 19.193 10.704 -21.866 1.00 72.13 H new ATOM 0 HG2 GLU A 40 21.068 10.014 -22.876 1.00 70.14 H new ATOM 0 HG3 GLU A 40 21.150 8.589 -21.858 1.00 70.14 H new ATOM 613 N ILE A 41 21.242 10.542 -19.646 1.00 43.20 N ATOM 614 CA ILE A 41 21.975 11.581 -18.933 1.00 63.12 C ATOM 615 C ILE A 41 21.337 12.949 -19.146 1.00 54.21 C ATOM 616 O ILE A 41 21.530 13.868 -18.349 1.00 22.41 O ATOM 617 CB ILE A 41 23.448 11.639 -19.381 1.00 12.01 C ATOM 618 CG1 ILE A 41 24.161 12.816 -18.711 1.00 60.44 C ATOM 619 CG2 ILE A 41 23.537 11.751 -20.895 1.00 72.05 C ATOM 620 CD1 ILE A 41 25.670 12.722 -18.773 1.00 35.22 C ATOM 0 H ILE A 41 21.816 9.972 -20.268 1.00 43.20 H new ATOM 0 HA ILE A 41 21.935 11.325 -17.874 1.00 63.12 H new ATOM 0 HB ILE A 41 23.942 10.717 -19.075 1.00 12.01 H new ATOM 0 HG12 ILE A 41 23.843 13.743 -19.188 1.00 60.44 H new ATOM 0 HG13 ILE A 41 23.851 12.872 -17.668 1.00 60.44 H new ATOM 0 HG21 ILE A 41 24.584 11.791 -21.196 1.00 72.05 H new ATOM 0 HG22 ILE A 41 23.061 10.884 -21.353 1.00 72.05 H new ATOM 0 HG23 ILE A 41 23.030 12.659 -21.223 1.00 72.05 H new ATOM 0 HD11 ILE A 41 26.109 13.589 -18.279 1.00 35.22 H new ATOM 0 HD12 ILE A 41 25.999 11.813 -18.270 1.00 35.22 H new ATOM 0 HD13 ILE A 41 25.990 12.697 -19.815 1.00 35.22 H new ATOM 632 N HIS A 42 20.572 13.078 -20.226 1.00 65.12 N ATOM 633 CA HIS A 42 19.902 14.334 -20.543 1.00 62.02 C ATOM 634 C HIS A 42 19.056 14.810 -19.366 1.00 42.43 C ATOM 635 O HIS A 42 19.126 15.974 -18.970 1.00 70.14 O ATOM 636 CB HIS A 42 19.024 14.169 -21.784 1.00 31.12 C ATOM 637 CG HIS A 42 19.756 13.612 -22.966 1.00 33.31 C ATOM 638 ND1 HIS A 42 21.126 13.680 -23.103 1.00 61.50 N ATOM 639 CD2 HIS A 42 19.300 12.973 -24.069 1.00 31.44 C ATOM 640 CE1 HIS A 42 21.481 13.108 -24.240 1.00 24.13 C ATOM 641 NE2 HIS A 42 20.392 12.670 -24.844 1.00 52.25 N ATOM 0 H HIS A 42 20.401 12.328 -20.896 1.00 65.12 H new ATOM 0 HA HIS A 42 20.666 15.084 -20.745 1.00 62.02 H new ATOM 0 HB2 HIS A 42 18.188 13.513 -21.543 1.00 31.12 H new ATOM 0 HB3 HIS A 42 18.602 15.138 -22.052 1.00 31.12 H new ATOM 0 HD2 HIS A 42 18.269 12.744 -24.297 1.00 31.44 H new ATOM 0 HE1 HIS A 42 22.491 13.015 -24.612 1.00 24.13 H new ATOM 0 HE2 HIS A 42 20.366 12.185 -25.741 1.00 52.25 H new ATOM 649 N TRP A 43 18.258 13.905 -18.813 1.00 22.42 N ATOM 650 CA TRP A 43 17.398 14.233 -17.682 1.00 1.24 C ATOM 651 C TRP A 43 17.044 12.982 -16.886 1.00 32.13 C ATOM 652 O TRP A 43 16.584 11.988 -17.447 1.00 74.14 O ATOM 653 CB TRP A 43 16.122 14.922 -18.168 1.00 71.30 C ATOM 654 CG TRP A 43 15.286 14.058 -19.063 1.00 54.45 C ATOM 655 CD1 TRP A 43 15.305 14.033 -20.429 1.00 22.32 C ATOM 656 CD2 TRP A 43 14.305 13.098 -18.656 1.00 63.32 C ATOM 657 NE1 TRP A 43 14.396 13.114 -20.895 1.00 21.22 N ATOM 658 CE2 TRP A 43 13.770 12.526 -19.827 1.00 45.13 C ATOM 659 CE3 TRP A 43 13.829 12.663 -17.417 1.00 11.15 C ATOM 660 CZ2 TRP A 43 12.783 11.545 -19.793 1.00 24.24 C ATOM 661 CZ3 TRP A 43 12.849 11.689 -17.384 1.00 11.33 C ATOM 662 CH2 TRP A 43 12.335 11.138 -18.565 1.00 42.32 C ATOM 0 H TRP A 43 18.188 12.938 -19.129 1.00 22.42 H new ATOM 0 HA TRP A 43 17.943 14.914 -17.028 1.00 1.24 H new ATOM 0 HB2 TRP A 43 15.528 15.221 -17.305 1.00 71.30 H new ATOM 0 HB3 TRP A 43 16.390 15.834 -18.702 1.00 71.30 H new ATOM 0 HD1 TRP A 43 15.941 14.645 -21.051 1.00 22.32 H new ATOM 0 HE1 TRP A 43 14.216 12.904 -21.877 1.00 21.22 H new ATOM 0 HE3 TRP A 43 14.220 13.080 -16.501 1.00 11.15 H new ATOM 0 HZ2 TRP A 43 12.385 11.120 -20.703 1.00 24.24 H new ATOM 0 HZ3 TRP A 43 12.473 11.347 -16.431 1.00 11.33 H new ATOM 0 HH2 TRP A 43 11.571 10.377 -18.506 1.00 42.32 H new ATOM 673 N TRP A 44 17.261 13.038 -15.577 1.00 33.23 N ATOM 674 CA TRP A 44 16.963 11.908 -14.704 1.00 63.40 C ATOM 675 C TRP A 44 15.980 12.308 -13.610 1.00 10.50 C ATOM 676 O TRP A 44 16.265 13.191 -12.800 1.00 33.53 O ATOM 677 CB TRP A 44 18.250 11.368 -14.078 1.00 3.24 C ATOM 678 CG TRP A 44 18.834 10.208 -14.826 1.00 1.04 C ATOM 679 CD1 TRP A 44 18.679 9.927 -16.153 1.00 31.00 C ATOM 680 CD2 TRP A 44 19.665 9.173 -14.289 1.00 35.34 C ATOM 681 NE1 TRP A 44 19.363 8.779 -16.474 1.00 12.14 N ATOM 682 CE2 TRP A 44 19.976 8.298 -15.348 1.00 25.34 C ATOM 683 CE3 TRP A 44 20.177 8.901 -13.017 1.00 74.32 C ATOM 684 CZ2 TRP A 44 20.776 7.171 -15.171 1.00 53.31 C ATOM 685 CZ3 TRP A 44 20.969 7.782 -12.844 1.00 4.23 C ATOM 686 CH2 TRP A 44 21.263 6.929 -13.916 1.00 5.13 C ATOM 0 H TRP A 44 17.642 13.853 -15.097 1.00 33.23 H new ATOM 0 HA TRP A 44 16.505 11.125 -15.309 1.00 63.40 H new ATOM 0 HB2 TRP A 44 18.987 12.170 -14.032 1.00 3.24 H new ATOM 0 HB3 TRP A 44 18.046 11.063 -13.051 1.00 3.24 H new ATOM 0 HD1 TRP A 44 18.103 10.520 -16.848 1.00 31.00 H new ATOM 0 HE1 TRP A 44 19.407 8.354 -17.400 1.00 12.14 H new ATOM 0 HE3 TRP A 44 19.958 9.553 -12.185 1.00 74.32 H new ATOM 0 HZ2 TRP A 44 21.004 6.512 -15.996 1.00 53.31 H new ATOM 0 HZ3 TRP A 44 21.368 7.561 -11.865 1.00 4.23 H new ATOM 0 HH2 TRP A 44 21.886 6.063 -13.748 1.00 5.13 H new ATOM 697 N ARG A 45 14.823 11.655 -13.592 1.00 54.52 N ATOM 698 CA ARG A 45 13.797 11.945 -12.597 1.00 50.55 C ATOM 699 C ARG A 45 14.083 11.211 -11.291 1.00 64.32 C ATOM 700 O ARG A 45 14.013 9.983 -11.229 1.00 1.22 O ATOM 701 CB ARG A 45 12.417 11.549 -13.126 1.00 42.20 C ATOM 702 CG ARG A 45 11.518 12.736 -13.431 1.00 40.12 C ATOM 703 CD ARG A 45 10.057 12.411 -13.164 1.00 13.23 C ATOM 704 NE ARG A 45 9.230 13.614 -13.106 1.00 62.15 N ATOM 705 CZ ARG A 45 9.133 14.388 -12.031 1.00 54.04 C ATOM 706 NH1 ARG A 45 9.807 14.087 -10.930 1.00 52.02 N ATOM 707 NH2 ARG A 45 8.360 15.466 -12.057 1.00 14.32 N ATOM 0 H ARG A 45 14.572 10.922 -14.255 1.00 54.52 H new ATOM 0 HA ARG A 45 13.809 13.017 -12.401 1.00 50.55 H new ATOM 0 HB2 ARG A 45 12.541 10.956 -14.032 1.00 42.20 H new ATOM 0 HB3 ARG A 45 11.925 10.911 -12.392 1.00 42.20 H new ATOM 0 HG2 ARG A 45 11.820 13.588 -12.822 1.00 40.12 H new ATOM 0 HG3 ARG A 45 11.642 13.029 -14.473 1.00 40.12 H new ATOM 0 HD2 ARG A 45 9.683 11.752 -13.947 1.00 13.23 H new ATOM 0 HD3 ARG A 45 9.973 11.867 -12.223 1.00 13.23 H new ATOM 0 HE ARG A 45 8.698 13.874 -13.937 1.00 62.15 H new ATOM 0 HH11 ARG A 45 10.402 13.259 -10.907 1.00 52.02 H new ATOM 0 HH12 ARG A 45 9.730 14.683 -10.106 1.00 52.02 H new ATOM 0 HH21 ARG A 45 7.840 15.700 -12.903 1.00 14.32 H new ATOM 0 HH22 ARG A 45 8.286 16.060 -11.231 1.00 14.32 H new ATOM 721 N VAL A 46 14.407 11.970 -10.249 1.00 40.35 N ATOM 722 CA VAL A 46 14.704 11.392 -8.944 1.00 54.03 C ATOM 723 C VAL A 46 13.909 12.085 -7.843 1.00 22.11 C ATOM 724 O VAL A 46 13.324 13.145 -8.060 1.00 52.34 O ATOM 725 CB VAL A 46 16.205 11.487 -8.616 1.00 45.24 C ATOM 726 CG1 VAL A 46 17.035 10.851 -9.722 1.00 12.43 C ATOM 727 CG2 VAL A 46 16.612 12.937 -8.400 1.00 63.11 C ATOM 0 H VAL A 46 14.470 12.987 -10.283 1.00 40.35 H new ATOM 0 HA VAL A 46 14.416 10.342 -8.990 1.00 54.03 H new ATOM 0 HB VAL A 46 16.393 10.939 -7.693 1.00 45.24 H new ATOM 0 HG11 VAL A 46 18.093 10.928 -9.473 1.00 12.43 H new ATOM 0 HG12 VAL A 46 16.761 9.801 -9.824 1.00 12.43 H new ATOM 0 HG13 VAL A 46 16.845 11.368 -10.662 1.00 12.43 H new ATOM 0 HG21 VAL A 46 17.676 12.986 -8.169 1.00 63.11 H new ATOM 0 HG22 VAL A 46 16.410 13.510 -9.305 1.00 63.11 H new ATOM 0 HG23 VAL A 46 16.041 13.355 -7.571 1.00 63.11 H new ATOM 737 N GLN A 47 13.894 11.478 -6.660 1.00 44.24 N ATOM 738 CA GLN A 47 13.171 12.037 -5.524 1.00 43.55 C ATOM 739 C GLN A 47 14.094 12.206 -4.322 1.00 13.43 C ATOM 740 O GLN A 47 14.961 11.370 -4.070 1.00 31.42 O ATOM 741 CB GLN A 47 11.989 11.140 -5.154 1.00 2.24 C ATOM 742 CG GLN A 47 11.297 11.548 -3.863 1.00 41.31 C ATOM 743 CD GLN A 47 9.850 11.099 -3.810 1.00 2.04 C ATOM 744 OE1 GLN A 47 8.953 11.890 -3.515 1.00 61.44 O ATOM 745 NE2 GLN A 47 9.615 9.824 -4.095 1.00 22.55 N ATOM 0 H GLN A 47 14.374 10.600 -6.464 1.00 44.24 H new ATOM 0 HA GLN A 47 12.796 13.019 -5.811 1.00 43.55 H new ATOM 0 HB2 GLN A 47 11.263 11.156 -5.967 1.00 2.24 H new ATOM 0 HB3 GLN A 47 12.339 10.112 -5.060 1.00 2.24 H new ATOM 0 HG2 GLN A 47 11.836 11.124 -3.016 1.00 41.31 H new ATOM 0 HG3 GLN A 47 11.341 12.632 -3.758 1.00 41.31 H new ATOM 0 HE21 GLN A 47 10.389 9.204 -4.334 1.00 22.55 H new ATOM 0 HE22 GLN A 47 8.661 9.464 -4.075 1.00 22.55 H new ATOM 754 N ASP A 48 13.901 13.293 -3.583 1.00 1.41 N ATOM 755 CA ASP A 48 14.715 13.572 -2.406 1.00 5.03 C ATOM 756 C ASP A 48 14.261 12.729 -1.219 1.00 30.44 C ATOM 757 O ASP A 48 13.390 11.868 -1.353 1.00 4.42 O ATOM 758 CB ASP A 48 14.643 15.058 -2.049 1.00 62.41 C ATOM 759 CG ASP A 48 15.216 15.943 -3.139 1.00 33.15 C ATOM 760 OD1 ASP A 48 15.503 15.422 -4.237 1.00 0.31 O ATOM 761 OD2 ASP A 48 15.376 17.157 -2.893 1.00 74.31 O ATOM 0 H ASP A 48 13.188 13.995 -3.778 1.00 1.41 H new ATOM 0 HA ASP A 48 15.747 13.312 -2.640 1.00 5.03 H new ATOM 0 HB2 ASP A 48 13.605 15.335 -1.868 1.00 62.41 H new ATOM 0 HB3 ASP A 48 15.186 15.232 -1.120 1.00 62.41 H new ATOM 766 N ARG A 49 14.857 12.980 -0.058 1.00 11.33 N ATOM 767 CA ARG A 49 14.515 12.243 1.152 1.00 30.45 C ATOM 768 C ARG A 49 13.445 12.978 1.954 1.00 51.44 C ATOM 769 O ARG A 49 13.239 12.700 3.134 1.00 15.31 O ATOM 770 CB ARG A 49 15.760 12.033 2.016 1.00 31.13 C ATOM 771 CG ARG A 49 16.753 11.046 1.424 1.00 33.24 C ATOM 772 CD ARG A 49 17.772 10.593 2.458 1.00 10.22 C ATOM 773 NE ARG A 49 18.405 9.331 2.087 1.00 72.54 N ATOM 774 CZ ARG A 49 17.843 8.142 2.280 1.00 43.33 C ATOM 775 NH1 ARG A 49 16.643 8.055 2.837 1.00 4.00 N ATOM 776 NH2 ARG A 49 18.482 7.038 1.915 1.00 41.04 N ATOM 0 H ARG A 49 15.579 13.689 0.070 1.00 11.33 H new ATOM 0 HA ARG A 49 14.118 11.272 0.855 1.00 30.45 H new ATOM 0 HB2 ARG A 49 16.257 12.992 2.161 1.00 31.13 H new ATOM 0 HB3 ARG A 49 15.453 11.680 3.001 1.00 31.13 H new ATOM 0 HG2 ARG A 49 16.218 10.180 1.035 1.00 33.24 H new ATOM 0 HG3 ARG A 49 17.268 11.508 0.582 1.00 33.24 H new ATOM 0 HD2 ARG A 49 18.536 11.361 2.574 1.00 10.22 H new ATOM 0 HD3 ARG A 49 17.282 10.482 3.425 1.00 10.22 H new ATOM 0 HE ARG A 49 19.329 9.363 1.656 1.00 72.54 H new ATOM 0 HH11 ARG A 49 16.149 8.902 3.119 1.00 4.00 H new ATOM 0 HH12 ARG A 49 16.214 7.141 2.984 1.00 4.00 H new ATOM 0 HH21 ARG A 49 19.405 7.101 1.486 1.00 41.04 H new ATOM 0 HH22 ARG A 49 18.050 6.126 2.063 1.00 41.04 H new ATOM 790 N ASN A 50 12.768 13.919 1.303 1.00 72.12 N ATOM 791 CA ASN A 50 11.720 14.696 1.955 1.00 73.32 C ATOM 792 C ASN A 50 10.370 14.460 1.284 1.00 62.45 C ATOM 793 O ASN A 50 9.320 14.605 1.908 1.00 24.02 O ATOM 794 CB ASN A 50 12.065 16.186 1.921 1.00 31.14 C ATOM 795 CG ASN A 50 13.497 16.457 2.341 1.00 53.33 C ATOM 796 OD1 ASN A 50 13.764 16.797 3.493 1.00 11.54 O ATOM 797 ND2 ASN A 50 14.426 16.308 1.404 1.00 71.22 N ATOM 0 H ASN A 50 12.926 14.162 0.325 1.00 72.12 H new ATOM 0 HA ASN A 50 11.652 14.369 2.993 1.00 73.32 H new ATOM 0 HB2 ASN A 50 11.906 16.570 0.913 1.00 31.14 H new ATOM 0 HB3 ASN A 50 11.387 16.728 2.580 1.00 31.14 H new ATOM 0 HD21 ASN A 50 15.407 16.477 1.627 1.00 71.22 H new ATOM 0 HD22 ASN A 50 14.159 16.024 0.461 1.00 71.22 H new ATOM 804 N GLY A 51 10.407 14.094 0.006 1.00 73.33 N ATOM 805 CA GLY A 51 9.181 13.843 -0.729 1.00 71.34 C ATOM 806 C GLY A 51 9.037 14.742 -1.941 1.00 61.22 C ATOM 807 O GLY A 51 7.923 15.053 -2.364 1.00 1.32 O ATOM 0 H GLY A 51 11.264 13.967 -0.533 1.00 73.33 H new ATOM 0 HA2 GLY A 51 9.160 12.801 -1.049 1.00 71.34 H new ATOM 0 HA3 GLY A 51 8.328 13.991 -0.067 1.00 71.34 H new ATOM 811 N HIS A 52 10.167 15.162 -2.502 1.00 12.23 N ATOM 812 CA HIS A 52 10.162 16.032 -3.672 1.00 51.52 C ATOM 813 C HIS A 52 10.854 15.359 -4.853 1.00 61.32 C ATOM 814 O HIS A 52 11.996 14.913 -4.743 1.00 12.31 O ATOM 815 CB HIS A 52 10.852 17.359 -3.351 1.00 35.32 C ATOM 816 CG HIS A 52 10.341 18.013 -2.104 1.00 32.42 C ATOM 817 ND1 HIS A 52 11.047 18.030 -0.920 1.00 2.13 N ATOM 818 CD2 HIS A 52 9.186 18.676 -1.861 1.00 43.23 C ATOM 819 CE1 HIS A 52 10.349 18.675 -0.002 1.00 75.34 C ATOM 820 NE2 HIS A 52 9.215 19.077 -0.548 1.00 43.44 N ATOM 0 H HIS A 52 11.097 14.914 -2.165 1.00 12.23 H new ATOM 0 HA HIS A 52 9.125 16.227 -3.944 1.00 51.52 H new ATOM 0 HB2 HIS A 52 11.923 17.187 -3.248 1.00 35.32 H new ATOM 0 HB3 HIS A 52 10.718 18.041 -4.190 1.00 35.32 H new ATOM 0 HD2 HIS A 52 8.390 18.856 -2.568 1.00 43.23 H new ATOM 0 HE1 HIS A 52 10.653 18.845 1.020 1.00 75.34 H new ATOM 0 HE2 HIS A 52 8.480 19.600 -0.072 1.00 43.44 H new ATOM 828 N GLU A 53 10.154 15.288 -5.981 1.00 63.33 N ATOM 829 CA GLU A 53 10.702 14.666 -7.181 1.00 42.54 C ATOM 830 C GLU A 53 10.966 15.711 -8.263 1.00 32.44 C ATOM 831 O GLU A 53 10.157 16.611 -8.482 1.00 35.20 O ATOM 832 CB GLU A 53 9.744 13.598 -7.712 1.00 25.41 C ATOM 833 CG GLU A 53 9.210 12.670 -6.634 1.00 12.23 C ATOM 834 CD GLU A 53 7.756 12.941 -6.300 1.00 13.15 C ATOM 835 OE1 GLU A 53 6.884 12.614 -7.132 1.00 22.03 O ATOM 836 OE2 GLU A 53 7.490 13.480 -5.205 1.00 12.41 O ATOM 0 H GLU A 53 9.208 15.653 -6.089 1.00 63.33 H new ATOM 0 HA GLU A 53 11.648 14.195 -6.915 1.00 42.54 H new ATOM 0 HB2 GLU A 53 8.905 14.088 -8.206 1.00 25.41 H new ATOM 0 HB3 GLU A 53 10.258 13.005 -8.469 1.00 25.41 H new ATOM 0 HG2 GLU A 53 9.317 11.637 -6.964 1.00 12.23 H new ATOM 0 HG3 GLU A 53 9.813 12.781 -5.733 1.00 12.23 H new ATOM 843 N GLY A 54 12.106 15.583 -8.935 1.00 73.12 N ATOM 844 CA GLY A 54 12.457 16.522 -9.985 1.00 31.24 C ATOM 845 C GLY A 54 13.443 15.939 -10.978 1.00 13.02 C ATOM 846 O GLY A 54 13.791 14.761 -10.899 1.00 22.24 O ATOM 0 H GLY A 54 12.792 14.846 -8.771 1.00 73.12 H new ATOM 0 HA2 GLY A 54 11.553 16.828 -10.512 1.00 31.24 H new ATOM 0 HA3 GLY A 54 12.884 17.420 -9.538 1.00 31.24 H new ATOM 850 N TYR A 55 13.892 16.765 -11.916 1.00 60.54 N ATOM 851 CA TYR A 55 14.840 16.323 -12.932 1.00 44.22 C ATOM 852 C TYR A 55 16.262 16.741 -12.568 1.00 70.15 C ATOM 853 O TYR A 55 16.485 17.829 -12.037 1.00 63.22 O ATOM 854 CB TYR A 55 14.462 16.898 -14.298 1.00 14.41 C ATOM 855 CG TYR A 55 13.127 16.409 -14.812 1.00 35.11 C ATOM 856 CD1 TYR A 55 11.937 16.944 -14.333 1.00 41.51 C ATOM 857 CD2 TYR A 55 13.054 15.410 -15.775 1.00 43.53 C ATOM 858 CE1 TYR A 55 10.715 16.500 -14.799 1.00 71.02 C ATOM 859 CE2 TYR A 55 11.837 14.961 -16.248 1.00 73.12 C ATOM 860 CZ TYR A 55 10.670 15.508 -15.757 1.00 11.50 C ATOM 861 OH TYR A 55 9.455 15.062 -16.224 1.00 50.44 O ATOM 0 H TYR A 55 13.615 17.744 -11.994 1.00 60.54 H new ATOM 0 HA TYR A 55 14.801 15.235 -12.980 1.00 44.22 H new ATOM 0 HB2 TYR A 55 14.440 17.986 -14.232 1.00 14.41 H new ATOM 0 HB3 TYR A 55 15.237 16.638 -15.019 1.00 14.41 H new ATOM 0 HD1 TYR A 55 11.968 17.721 -13.583 1.00 41.51 H new ATOM 0 HD2 TYR A 55 13.965 14.977 -16.160 1.00 43.53 H new ATOM 0 HE1 TYR A 55 9.800 16.927 -14.416 1.00 71.02 H new ATOM 0 HE2 TYR A 55 11.799 14.185 -16.999 1.00 73.12 H new ATOM 0 HH TYR A 55 9.599 14.363 -16.895 1.00 50.44 H new ATOM 871 N VAL A 56 17.221 15.868 -12.860 1.00 21.25 N ATOM 872 CA VAL A 56 18.622 16.145 -12.566 1.00 21.14 C ATOM 873 C VAL A 56 19.543 15.381 -13.510 1.00 22.31 C ATOM 874 O VAL A 56 19.178 14.349 -14.074 1.00 12.03 O ATOM 875 CB VAL A 56 18.974 15.776 -11.112 1.00 63.13 C ATOM 876 CG1 VAL A 56 18.465 16.840 -10.152 1.00 54.25 C ATOM 877 CG2 VAL A 56 18.406 14.410 -10.757 1.00 44.03 C ATOM 0 H VAL A 56 17.053 14.963 -13.300 1.00 21.25 H new ATOM 0 HA VAL A 56 18.769 17.216 -12.707 1.00 21.14 H new ATOM 0 HB VAL A 56 20.059 15.728 -11.020 1.00 63.13 H new ATOM 0 HG11 VAL A 56 18.723 16.562 -9.130 1.00 54.25 H new ATOM 0 HG12 VAL A 56 18.924 17.798 -10.394 1.00 54.25 H new ATOM 0 HG13 VAL A 56 17.382 16.924 -10.243 1.00 54.25 H new ATOM 0 HG21 VAL A 56 18.664 14.165 -9.727 1.00 44.03 H new ATOM 0 HG22 VAL A 56 17.322 14.428 -10.865 1.00 44.03 H new ATOM 0 HG23 VAL A 56 18.825 13.657 -11.425 1.00 44.03 H new ATOM 887 N PRO A 57 20.768 15.897 -13.688 1.00 3.02 N ATOM 888 CA PRO A 57 21.769 15.279 -14.563 1.00 75.41 C ATOM 889 C PRO A 57 22.297 13.964 -14.001 1.00 25.25 C ATOM 890 O PRO A 57 22.684 13.887 -12.834 1.00 52.33 O ATOM 891 CB PRO A 57 22.885 16.324 -14.619 1.00 63.05 C ATOM 892 CG PRO A 57 22.743 17.098 -13.355 1.00 4.52 C ATOM 893 CD PRO A 57 21.272 17.124 -13.048 1.00 34.02 C ATOM 0 HA PRO A 57 21.356 15.025 -15.539 1.00 75.41 H new ATOM 0 HB2 PRO A 57 23.866 15.853 -14.687 1.00 63.05 H new ATOM 0 HB3 PRO A 57 22.780 16.969 -15.492 1.00 63.05 H new ATOM 0 HG2 PRO A 57 23.302 16.629 -12.545 1.00 4.52 H new ATOM 0 HG3 PRO A 57 23.135 18.108 -13.470 1.00 4.52 H new ATOM 0 HD2 PRO A 57 21.086 17.123 -11.974 1.00 34.02 H new ATOM 0 HD3 PRO A 57 20.793 18.015 -13.454 1.00 34.02 H new ATOM 901 N SER A 58 22.313 12.931 -14.837 1.00 75.10 N ATOM 902 CA SER A 58 22.791 11.618 -14.422 1.00 23.34 C ATOM 903 C SER A 58 24.312 11.607 -14.301 1.00 42.12 C ATOM 904 O SER A 58 24.880 10.832 -13.532 1.00 34.41 O ATOM 905 CB SER A 58 22.340 10.548 -15.418 1.00 12.20 C ATOM 906 OG SER A 58 23.340 10.304 -16.392 1.00 31.33 O ATOM 0 H SER A 58 22.000 12.978 -15.807 1.00 75.10 H new ATOM 0 HA SER A 58 22.364 11.396 -13.444 1.00 23.34 H new ATOM 0 HB2 SER A 58 22.113 9.624 -14.886 1.00 12.20 H new ATOM 0 HB3 SER A 58 21.421 10.868 -15.908 1.00 12.20 H new ATOM 0 HG SER A 58 23.028 9.615 -17.016 1.00 31.33 H new ATOM 912 N SER A 59 24.966 12.474 -15.068 1.00 23.03 N ATOM 913 CA SER A 59 26.422 12.563 -15.051 1.00 33.22 C ATOM 914 C SER A 59 26.932 12.849 -13.642 1.00 2.21 C ATOM 915 O SER A 59 28.080 12.550 -13.313 1.00 4.41 O ATOM 916 CB SER A 59 26.898 13.655 -16.010 1.00 41.30 C ATOM 917 OG SER A 59 27.855 13.149 -16.924 1.00 43.33 O ATOM 0 H SER A 59 24.511 13.124 -15.709 1.00 23.03 H new ATOM 0 HA SER A 59 26.824 11.604 -15.376 1.00 33.22 H new ATOM 0 HB2 SER A 59 26.046 14.059 -16.557 1.00 41.30 H new ATOM 0 HB3 SER A 59 27.332 14.478 -15.442 1.00 41.30 H new ATOM 0 HG SER A 59 28.059 13.833 -17.596 1.00 43.33 H new ATOM 923 N TYR A 60 26.071 13.430 -12.814 1.00 52.03 N ATOM 924 CA TYR A 60 26.434 13.760 -11.441 1.00 72.32 C ATOM 925 C TYR A 60 25.740 12.825 -10.455 1.00 1.11 C ATOM 926 O TYR A 60 25.634 13.126 -9.265 1.00 52.32 O ATOM 927 CB TYR A 60 26.067 15.212 -11.129 1.00 63.41 C ATOM 928 CG TYR A 60 26.752 16.216 -12.029 1.00 32.31 C ATOM 929 CD1 TYR A 60 26.393 16.338 -13.365 1.00 41.55 C ATOM 930 CD2 TYR A 60 27.757 17.042 -11.542 1.00 12.43 C ATOM 931 CE1 TYR A 60 27.016 17.254 -14.191 1.00 64.11 C ATOM 932 CE2 TYR A 60 28.385 17.962 -12.360 1.00 34.22 C ATOM 933 CZ TYR A 60 28.011 18.063 -13.684 1.00 2.43 C ATOM 934 OH TYR A 60 28.634 18.978 -14.503 1.00 35.44 O ATOM 0 H TYR A 60 25.116 13.682 -13.070 1.00 52.03 H new ATOM 0 HA TYR A 60 27.512 13.634 -11.336 1.00 72.32 H new ATOM 0 HB2 TYR A 60 24.987 15.333 -11.219 1.00 63.41 H new ATOM 0 HB3 TYR A 60 26.326 15.429 -10.093 1.00 63.41 H new ATOM 0 HD1 TYR A 60 25.614 15.706 -13.765 1.00 41.55 H new ATOM 0 HD2 TYR A 60 28.053 16.964 -10.506 1.00 12.43 H new ATOM 0 HE1 TYR A 60 26.725 17.336 -15.228 1.00 64.11 H new ATOM 0 HE2 TYR A 60 29.164 18.598 -11.965 1.00 34.22 H new ATOM 0 HH TYR A 60 29.310 19.469 -13.990 1.00 35.44 H new ATOM 944 N LEU A 61 25.270 11.689 -10.958 1.00 31.14 N ATOM 945 CA LEU A 61 24.586 10.708 -10.122 1.00 63.41 C ATOM 946 C LEU A 61 25.112 9.302 -10.392 1.00 65.32 C ATOM 947 O LEU A 61 25.256 8.892 -11.544 1.00 62.21 O ATOM 948 CB LEU A 61 23.078 10.757 -10.373 1.00 42.12 C ATOM 949 CG LEU A 61 22.311 11.857 -9.638 1.00 61.22 C ATOM 950 CD1 LEU A 61 20.917 12.018 -10.224 1.00 40.32 C ATOM 951 CD2 LEU A 61 22.234 11.550 -8.150 1.00 33.32 C ATOM 0 H LEU A 61 25.350 11.424 -11.940 1.00 31.14 H new ATOM 0 HA LEU A 61 24.783 10.956 -9.079 1.00 63.41 H new ATOM 0 HB2 LEU A 61 22.912 10.879 -11.443 1.00 42.12 H new ATOM 0 HB3 LEU A 61 22.652 9.794 -10.092 1.00 42.12 H new ATOM 0 HG LEU A 61 22.848 12.797 -9.767 1.00 61.22 H new ATOM 0 HD11 LEU A 61 20.386 12.805 -9.689 1.00 40.32 H new ATOM 0 HD12 LEU A 61 20.994 12.285 -11.278 1.00 40.32 H new ATOM 0 HD13 LEU A 61 20.371 11.080 -10.126 1.00 40.32 H new ATOM 0 HD21 LEU A 61 21.685 12.343 -7.643 1.00 33.32 H new ATOM 0 HD22 LEU A 61 21.720 10.600 -8.001 1.00 33.32 H new ATOM 0 HD23 LEU A 61 23.242 11.486 -7.739 1.00 33.32 H new ATOM 963 N VAL A 62 25.397 8.566 -9.322 1.00 75.11 N ATOM 964 CA VAL A 62 25.903 7.204 -9.443 1.00 45.22 C ATOM 965 C VAL A 62 24.960 6.206 -8.782 1.00 61.31 C ATOM 966 O VAL A 62 24.617 6.345 -7.609 1.00 14.32 O ATOM 967 CB VAL A 62 27.302 7.068 -8.812 1.00 71.23 C ATOM 968 CG1 VAL A 62 27.742 5.612 -8.798 1.00 71.24 C ATOM 969 CG2 VAL A 62 28.309 7.931 -9.558 1.00 32.50 C ATOM 0 H VAL A 62 25.286 8.891 -8.361 1.00 75.11 H new ATOM 0 HA VAL A 62 25.970 6.984 -10.509 1.00 45.22 H new ATOM 0 HB VAL A 62 27.252 7.417 -7.781 1.00 71.23 H new ATOM 0 HG11 VAL A 62 28.732 5.535 -8.349 1.00 71.24 H new ATOM 0 HG12 VAL A 62 27.033 5.023 -8.216 1.00 71.24 H new ATOM 0 HG13 VAL A 62 27.777 5.233 -9.819 1.00 71.24 H new ATOM 0 HG21 VAL A 62 29.292 7.823 -9.099 1.00 32.50 H new ATOM 0 HG22 VAL A 62 28.358 7.614 -10.600 1.00 32.50 H new ATOM 0 HG23 VAL A 62 27.999 8.975 -9.510 1.00 32.50 H new ATOM 979 N GLU A 63 24.545 5.198 -9.544 1.00 1.24 N ATOM 980 CA GLU A 63 23.641 4.176 -9.031 1.00 35.03 C ATOM 981 C GLU A 63 24.185 3.564 -7.743 1.00 51.30 C ATOM 982 O GLU A 63 25.250 2.947 -7.737 1.00 70.41 O ATOM 983 CB GLU A 63 23.426 3.081 -10.078 1.00 24.03 C ATOM 984 CG GLU A 63 21.999 3.003 -10.594 1.00 5.10 C ATOM 985 CD GLU A 63 21.646 1.628 -11.126 1.00 51.05 C ATOM 986 OE1 GLU A 63 21.768 0.647 -10.364 1.00 75.42 O ATOM 987 OE2 GLU A 63 21.247 1.534 -12.306 1.00 42.04 O ATOM 0 H GLU A 63 24.820 5.068 -10.517 1.00 1.24 H new ATOM 0 HA GLU A 63 22.685 4.651 -8.811 1.00 35.03 H new ATOM 0 HB2 GLU A 63 24.098 3.257 -10.918 1.00 24.03 H new ATOM 0 HB3 GLU A 63 23.700 2.118 -9.646 1.00 24.03 H new ATOM 0 HG2 GLU A 63 21.311 3.265 -9.790 1.00 5.10 H new ATOM 0 HG3 GLU A 63 21.862 3.741 -11.385 1.00 5.10 H new ATOM 994 N LYS A 64 23.446 3.741 -6.653 1.00 4.13 N ATOM 995 CA LYS A 64 23.852 3.207 -5.358 1.00 44.11 C ATOM 996 C LYS A 64 23.710 1.689 -5.327 1.00 63.31 C ATOM 997 O LYS A 64 22.606 1.162 -5.192 1.00 21.22 O ATOM 998 CB LYS A 64 23.014 3.831 -4.240 1.00 42.32 C ATOM 999 CG LYS A 64 23.485 3.456 -2.846 1.00 15.55 C ATOM 1000 CD LYS A 64 22.726 2.255 -2.305 1.00 44.54 C ATOM 1001 CE LYS A 64 22.985 2.055 -0.820 1.00 63.11 C ATOM 1002 NZ LYS A 64 21.973 2.755 0.019 1.00 64.12 N ATOM 0 H LYS A 64 22.562 4.250 -6.641 1.00 4.13 H new ATOM 0 HA LYS A 64 24.901 3.460 -5.202 1.00 44.11 H new ATOM 0 HB2 LYS A 64 23.037 4.916 -4.343 1.00 42.32 H new ATOM 0 HB3 LYS A 64 21.976 3.521 -4.359 1.00 42.32 H new ATOM 0 HG2 LYS A 64 24.552 3.233 -2.869 1.00 15.55 H new ATOM 0 HG3 LYS A 64 23.351 4.305 -2.175 1.00 15.55 H new ATOM 0 HD2 LYS A 64 21.658 2.392 -2.474 1.00 44.54 H new ATOM 0 HD3 LYS A 64 23.023 1.360 -2.851 1.00 44.54 H new ATOM 0 HE2 LYS A 64 22.973 0.990 -0.590 1.00 63.11 H new ATOM 0 HE3 LYS A 64 23.980 2.424 -0.572 1.00 63.11 H new ATOM 0 HZ1 LYS A 64 22.185 2.594 1.024 1.00 64.12 H new ATOM 0 HZ2 LYS A 64 22.001 3.775 -0.182 1.00 64.12 H new ATOM 0 HZ3 LYS A 64 21.026 2.385 -0.199 1.00 64.12 H new