USER MOD reduce.3.24.130724 H: found=0, std=0, add=1073, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1075 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 96 MET CE :methyl 167:sc= -0.0466 (180deg=-0.366) USER MOD Set 1.2: A 137 THR OG1 : rot 74:sc= 0.917 USER MOD Set 2.1: A 41 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 56 SER OG : rot 44:sc= 0.202 USER MOD Set 3.1: A 53 CYS SG : rot -161:sc= -2.31! USER MOD Set 3.2: A 86 TYR OH : rot -138:sc= 0.505 USER MOD Set 4.1: A 33 THR OG1 : rot 180:sc= 0.00584 USER MOD Set 4.2: A 65 LYS NZ :NH3+ -146:sc= 0.00422 (180deg=0) USER MOD Single : A 8 SER OG : rot -19:sc= 0.172 USER MOD Single : A 9 HIS : no HE2:sc= -0.618 K(o=-0.62,f=-2.8!) USER MOD Single : A 10 ASN : amide:sc= -1.69! C(o=-1.7!,f=-8.3!) USER MOD Single : A 14 TYR OH : rot 180:sc= -0.396 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 31:sc= 0.202 USER MOD Single : A 39 HIS : no HD1:sc= -0.548 X(o=-0.55,f=-0.26) USER MOD Single : A 42 HIS : no HE2:sc= -0.6! C(o=-0.6!,f=-4.7!) USER MOD Single : A 44 TYR OH : rot 154:sc= 0.256 USER MOD Single : A 45 LYS NZ :NH3+ -160:sc= -0.238 (180deg=-0.775) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -2.01! C(o=-2!,f=-3.2!) USER MOD Single : A 68 THR OG1 : rot -57:sc= 0.838 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= -0.425 X(o=-0.42,f=0) USER MOD Single : A 77 ASN : amide:sc= -1.98! X(o=-2!,f=-1.9) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 THR OG1 : rot -78:sc= 1.2 USER MOD Single : A 98 ASN :FLIP amide:sc= 0.732 F(o=-0.35,f=0.73) USER MOD Single : A 99 SER OG : rot -41:sc= 0.467 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ -131:sc= -0.367 (180deg=-2.46!) USER MOD Single : A 106 THR OG1 : rot 65:sc= 1.15 USER MOD Single : A 107 TYR OH : rot 180:sc= -1.29 USER MOD Single : A 111 ASN :FLIP amide:sc= -1.38 F(o=-2.5!,f=-1.4) USER MOD Single : A 112 LYS NZ :NH3+ -126:sc= 0.283 (180deg=-0.179) USER MOD Single : A 117 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 130 HIS : no HD1:sc= -1.64 X(o=-1.6,f=-1.5) USER MOD Single : A 133 LYS NZ :NH3+ 174:sc= 1.45 (180deg=1.23) USER MOD Single : A 140 LYS NZ :NH3+ -171:sc= 1.28 (180deg=1.08) USER MOD Single : A 141 MET CE :methyl 156:sc= -2.18 (180deg=-3.36!) USER MOD Single : A 145 ASN : amide:sc=-0.00697 X(o=-0.007,f=0) USER MOD Single : A 146 LYS NZ :NH3+ 167:sc= -0.0146 (180deg=-0.191) USER MOD Single : A 147 ASN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 149 ASN : amide:sc= -0.976 K(o=-0.98,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 93 N SER A 8 8.852 -13.989 2.947 1.00 33.32 N ATOM 94 CA SER A 8 9.001 -12.945 1.993 1.00 31.11 C ATOM 95 C SER A 8 7.990 -11.829 2.197 1.00 71.25 C ATOM 96 O SER A 8 6.852 -12.052 2.611 1.00 53.34 O ATOM 97 CB SER A 8 8.966 -13.510 0.577 1.00 31.45 C ATOM 98 OG SER A 8 7.844 -14.368 0.397 1.00 43.11 O ATOM 0 HA SER A 8 9.979 -12.488 2.145 1.00 31.11 H new ATOM 0 HB2 SER A 8 8.923 -12.693 -0.143 1.00 31.45 H new ATOM 0 HB3 SER A 8 9.885 -14.061 0.379 1.00 31.45 H new ATOM 0 HG SER A 8 7.508 -14.655 1.272 1.00 43.11 H new ATOM 104 N HIS A 9 8.433 -10.639 1.924 1.00 25.40 N ATOM 105 CA HIS A 9 7.681 -9.431 2.118 1.00 52.35 C ATOM 106 C HIS A 9 7.725 -8.598 0.874 1.00 75.52 C ATOM 107 O HIS A 9 8.631 -8.764 0.044 1.00 3.20 O ATOM 108 CB HIS A 9 8.255 -8.644 3.289 1.00 32.21 C ATOM 109 CG HIS A 9 8.130 -9.344 4.610 1.00 11.23 C ATOM 110 ND1 HIS A 9 9.101 -10.180 5.106 1.00 75.15 N ATOM 111 CD2 HIS A 9 7.154 -9.314 5.545 1.00 70.51 C ATOM 112 CE1 HIS A 9 8.731 -10.633 6.284 1.00 73.23 C ATOM 113 NE2 HIS A 9 7.557 -10.121 6.573 1.00 33.22 N ATOM 0 H HIS A 9 9.365 -10.474 1.545 1.00 25.40 H new ATOM 0 HA HIS A 9 6.645 -9.689 2.337 1.00 52.35 H new ATOM 0 HB2 HIS A 9 9.308 -8.439 3.095 1.00 32.21 H new ATOM 0 HB3 HIS A 9 7.749 -7.681 3.350 1.00 32.21 H new ATOM 0 HD1 HIS A 9 9.974 -10.413 4.633 1.00 75.15 H new ATOM 0 HD2 HIS A 9 6.230 -8.758 5.490 1.00 70.51 H new ATOM 0 HE1 HIS A 9 9.296 -11.310 6.907 1.00 73.23 H new ATOM 122 N ASN A 10 6.758 -7.732 0.733 1.00 65.34 N ATOM 123 CA ASN A 10 6.636 -6.877 -0.426 1.00 42.02 C ATOM 124 C ASN A 10 6.647 -5.422 0.034 1.00 54.12 C ATOM 125 O ASN A 10 5.883 -5.047 0.936 1.00 75.14 O ATOM 126 CB ASN A 10 5.304 -7.152 -1.132 1.00 22.54 C ATOM 127 CG ASN A 10 5.112 -8.589 -1.583 1.00 31.54 C ATOM 128 OD1 ASN A 10 5.481 -8.968 -2.692 1.00 15.14 O ATOM 129 ND2 ASN A 10 4.525 -9.392 -0.732 1.00 53.40 N ATOM 0 H ASN A 10 6.022 -7.596 1.426 1.00 65.34 H new ATOM 0 HA ASN A 10 7.463 -7.071 -1.109 1.00 42.02 H new ATOM 0 HB2 ASN A 10 4.489 -6.884 -0.459 1.00 22.54 H new ATOM 0 HB3 ASN A 10 5.227 -6.499 -2.001 1.00 22.54 H new ATOM 0 HD21 ASN A 10 4.361 -10.367 -0.981 1.00 53.40 H new ATOM 0 HD22 ASN A 10 4.232 -9.042 0.180 1.00 53.40 H new ATOM 136 N VAL A 11 7.503 -4.612 -0.545 1.00 4.43 N ATOM 137 CA VAL A 11 7.571 -3.195 -0.186 1.00 51.33 C ATOM 138 C VAL A 11 7.290 -2.322 -1.421 1.00 62.01 C ATOM 139 O VAL A 11 7.990 -2.419 -2.415 1.00 53.23 O ATOM 140 CB VAL A 11 8.963 -2.820 0.414 1.00 22.41 C ATOM 141 CG1 VAL A 11 9.008 -1.352 0.833 1.00 72.13 C ATOM 142 CG2 VAL A 11 9.310 -3.720 1.599 1.00 61.34 C ATOM 0 H VAL A 11 8.165 -4.899 -1.266 1.00 4.43 H new ATOM 0 HA VAL A 11 6.812 -3.011 0.575 1.00 51.33 H new ATOM 0 HB VAL A 11 9.708 -2.975 -0.367 1.00 22.41 H new ATOM 0 HG11 VAL A 11 9.990 -1.122 1.247 1.00 72.13 H new ATOM 0 HG12 VAL A 11 8.823 -0.720 -0.035 1.00 72.13 H new ATOM 0 HG13 VAL A 11 8.243 -1.165 1.587 1.00 72.13 H new ATOM 0 HG21 VAL A 11 10.284 -3.437 1.998 1.00 61.34 H new ATOM 0 HG22 VAL A 11 8.553 -3.607 2.376 1.00 61.34 H new ATOM 0 HG23 VAL A 11 9.340 -4.759 1.270 1.00 61.34 H new ATOM 152 N PHE A 12 6.268 -1.495 -1.345 1.00 23.43 N ATOM 153 CA PHE A 12 5.888 -0.609 -2.445 1.00 10.44 C ATOM 154 C PHE A 12 6.726 0.663 -2.412 1.00 40.13 C ATOM 155 O PHE A 12 6.679 1.424 -1.434 1.00 51.22 O ATOM 156 CB PHE A 12 4.378 -0.255 -2.367 1.00 52.45 C ATOM 157 CG PHE A 12 3.879 0.663 -3.474 1.00 64.54 C ATOM 158 CD1 PHE A 12 3.974 2.042 -3.349 1.00 1.45 C ATOM 159 CD2 PHE A 12 3.314 0.143 -4.633 1.00 72.21 C ATOM 160 CE1 PHE A 12 3.527 2.875 -4.348 1.00 71.11 C ATOM 161 CE2 PHE A 12 2.866 0.976 -5.630 1.00 43.44 C ATOM 162 CZ PHE A 12 2.974 2.340 -5.489 1.00 4.22 C ATOM 0 H PHE A 12 5.672 -1.412 -0.522 1.00 23.43 H new ATOM 0 HA PHE A 12 6.073 -1.130 -3.384 1.00 10.44 H new ATOM 0 HB2 PHE A 12 3.801 -1.179 -2.393 1.00 52.45 H new ATOM 0 HB3 PHE A 12 4.179 0.218 -1.405 1.00 52.45 H new ATOM 0 HD1 PHE A 12 4.405 2.467 -2.455 1.00 1.45 H new ATOM 0 HD2 PHE A 12 3.226 -0.927 -4.751 1.00 72.21 H new ATOM 0 HE1 PHE A 12 3.610 3.946 -4.237 1.00 71.11 H new ATOM 0 HE2 PHE A 12 2.429 0.559 -6.525 1.00 43.44 H new ATOM 0 HZ PHE A 12 2.624 2.992 -6.275 1.00 4.22 H new ATOM 172 N VAL A 13 7.476 0.885 -3.468 1.00 52.22 N ATOM 173 CA VAL A 13 8.304 2.072 -3.616 1.00 53.12 C ATOM 174 C VAL A 13 8.159 2.614 -5.032 1.00 32.25 C ATOM 175 O VAL A 13 7.711 1.895 -5.939 1.00 73.40 O ATOM 176 CB VAL A 13 9.816 1.795 -3.325 1.00 41.12 C ATOM 177 CG1 VAL A 13 10.027 1.351 -1.887 1.00 64.42 C ATOM 178 CG2 VAL A 13 10.380 0.756 -4.289 1.00 62.12 C ATOM 0 H VAL A 13 7.532 0.243 -4.259 1.00 52.22 H new ATOM 0 HA VAL A 13 7.959 2.800 -2.882 1.00 53.12 H new ATOM 0 HB VAL A 13 10.354 2.731 -3.476 1.00 41.12 H new ATOM 0 HG11 VAL A 13 11.087 1.166 -1.715 1.00 64.42 H new ATOM 0 HG12 VAL A 13 9.681 2.132 -1.210 1.00 64.42 H new ATOM 0 HG13 VAL A 13 9.465 0.436 -1.703 1.00 64.42 H new ATOM 0 HG21 VAL A 13 11.432 0.584 -4.063 1.00 62.12 H new ATOM 0 HG22 VAL A 13 9.828 -0.178 -4.181 1.00 62.12 H new ATOM 0 HG23 VAL A 13 10.283 1.119 -5.312 1.00 62.12 H new ATOM 188 N TYR A 14 8.508 3.866 -5.230 1.00 54.34 N ATOM 189 CA TYR A 14 8.428 4.451 -6.552 1.00 24.25 C ATOM 190 C TYR A 14 9.745 5.172 -6.889 1.00 1.14 C ATOM 191 O TYR A 14 9.829 5.975 -7.830 1.00 62.14 O ATOM 192 CB TYR A 14 7.201 5.393 -6.662 1.00 65.31 C ATOM 193 CG TYR A 14 6.920 5.853 -8.083 1.00 74.54 C ATOM 194 CD1 TYR A 14 6.680 4.921 -9.069 1.00 62.31 C ATOM 195 CD2 TYR A 14 6.892 7.196 -8.432 1.00 50.35 C ATOM 196 CE1 TYR A 14 6.426 5.291 -10.364 1.00 54.11 C ATOM 197 CE2 TYR A 14 6.635 7.583 -9.741 1.00 22.34 C ATOM 198 CZ TYR A 14 6.403 6.617 -10.702 1.00 53.51 C ATOM 199 OH TYR A 14 6.162 6.981 -12.006 1.00 31.23 O ATOM 0 H TYR A 14 8.847 4.494 -4.501 1.00 54.34 H new ATOM 0 HA TYR A 14 8.287 3.659 -7.287 1.00 24.25 H new ATOM 0 HB2 TYR A 14 6.322 4.879 -6.274 1.00 65.31 H new ATOM 0 HB3 TYR A 14 7.365 6.266 -6.031 1.00 65.31 H new ATOM 0 HD1 TYR A 14 6.692 3.871 -8.815 1.00 62.31 H new ATOM 0 HD2 TYR A 14 7.072 7.948 -7.678 1.00 50.35 H new ATOM 0 HE1 TYR A 14 6.244 4.538 -11.116 1.00 54.11 H new ATOM 0 HE2 TYR A 14 6.617 8.630 -10.006 1.00 22.34 H new ATOM 0 HH TYR A 14 6.178 7.958 -12.081 1.00 31.23 H new ATOM 209 N GLY A 15 10.782 4.855 -6.148 1.00 24.11 N ATOM 210 CA GLY A 15 12.056 5.452 -6.411 1.00 10.23 C ATOM 211 C GLY A 15 13.200 4.641 -5.861 1.00 73.30 C ATOM 212 O GLY A 15 13.000 3.792 -4.983 1.00 71.23 O ATOM 0 H GLY A 15 10.763 4.195 -5.370 1.00 24.11 H new ATOM 0 HA2 GLY A 15 12.183 5.569 -7.487 1.00 10.23 H new ATOM 0 HA3 GLY A 15 12.082 6.451 -5.976 1.00 10.23 H new ATOM 216 N SER A 16 14.381 4.882 -6.412 1.00 31.22 N ATOM 217 CA SER A 16 15.651 4.297 -5.977 1.00 3.11 C ATOM 218 C SER A 16 15.754 2.768 -6.215 1.00 73.51 C ATOM 219 O SER A 16 16.399 2.323 -7.161 1.00 41.23 O ATOM 220 CB SER A 16 15.935 4.659 -4.509 1.00 52.14 C ATOM 221 OG SER A 16 15.858 6.070 -4.305 1.00 34.01 O ATOM 0 H SER A 16 14.490 5.514 -7.205 1.00 31.22 H new ATOM 0 HA SER A 16 16.423 4.737 -6.608 1.00 3.11 H new ATOM 0 HB2 SER A 16 15.218 4.155 -3.861 1.00 52.14 H new ATOM 0 HB3 SER A 16 16.925 4.301 -4.228 1.00 52.14 H new ATOM 0 HG SER A 16 16.041 6.275 -3.364 1.00 34.01 H new ATOM 227 N ILE A 17 15.054 1.991 -5.395 1.00 54.51 N ATOM 228 CA ILE A 17 15.170 0.515 -5.365 1.00 5.12 C ATOM 229 C ILE A 17 14.569 -0.132 -6.631 1.00 44.43 C ATOM 230 O ILE A 17 14.670 -1.341 -6.851 1.00 73.31 O ATOM 231 CB ILE A 17 14.466 -0.038 -4.094 1.00 5.41 C ATOM 232 CG1 ILE A 17 14.984 0.698 -2.870 1.00 53.30 C ATOM 233 CG2 ILE A 17 14.802 -1.522 -3.930 1.00 41.50 C ATOM 234 CD1 ILE A 17 14.096 0.596 -1.661 1.00 13.23 C ATOM 0 H ILE A 17 14.381 2.359 -4.722 1.00 54.51 H new ATOM 0 HA ILE A 17 16.229 0.260 -5.339 1.00 5.12 H new ATOM 0 HB ILE A 17 13.389 0.100 -4.195 1.00 5.41 H new ATOM 0 HG12 ILE A 17 15.969 0.307 -2.616 1.00 53.30 H new ATOM 0 HG13 ILE A 17 15.114 1.750 -3.122 1.00 53.30 H new ATOM 0 HG21 ILE A 17 14.309 -1.910 -3.039 1.00 41.50 H new ATOM 0 HG22 ILE A 17 14.456 -2.072 -4.805 1.00 41.50 H new ATOM 0 HG23 ILE A 17 15.881 -1.642 -3.829 1.00 41.50 H new ATOM 0 HD11 ILE A 17 14.542 1.150 -0.835 1.00 13.23 H new ATOM 0 HD12 ILE A 17 13.117 1.015 -1.892 1.00 13.23 H new ATOM 0 HD13 ILE A 17 13.985 -0.451 -1.378 1.00 13.23 H new ATOM 246 N LEU A 18 13.958 0.685 -7.466 1.00 70.22 N ATOM 247 CA LEU A 18 13.382 0.210 -8.706 1.00 41.21 C ATOM 248 C LEU A 18 14.495 -0.276 -9.619 1.00 22.14 C ATOM 249 O LEU A 18 14.310 -1.194 -10.420 1.00 44.15 O ATOM 250 CB LEU A 18 12.613 1.329 -9.411 1.00 35.21 C ATOM 251 CG LEU A 18 11.514 2.027 -8.609 1.00 63.02 C ATOM 252 CD1 LEU A 18 10.804 3.037 -9.479 1.00 75.13 C ATOM 253 CD2 LEU A 18 10.527 1.030 -8.042 1.00 13.20 C ATOM 0 H LEU A 18 13.848 1.686 -7.306 1.00 70.22 H new ATOM 0 HA LEU A 18 12.692 -0.603 -8.481 1.00 41.21 H new ATOM 0 HB2 LEU A 18 13.331 2.084 -9.731 1.00 35.21 H new ATOM 0 HB3 LEU A 18 12.163 0.915 -10.313 1.00 35.21 H new ATOM 0 HG LEU A 18 11.981 2.543 -7.770 1.00 63.02 H new ATOM 0 HD11 LEU A 18 10.023 3.530 -8.901 1.00 75.13 H new ATOM 0 HD12 LEU A 18 11.519 3.781 -9.831 1.00 75.13 H new ATOM 0 HD13 LEU A 18 10.357 2.530 -10.334 1.00 75.13 H new ATOM 0 HD21 LEU A 18 9.759 1.559 -7.478 1.00 13.20 H new ATOM 0 HD22 LEU A 18 10.061 0.475 -8.857 1.00 13.20 H new ATOM 0 HD23 LEU A 18 11.049 0.336 -7.383 1.00 13.20 H new ATOM 265 N GLU A 19 15.646 0.335 -9.469 1.00 2.01 N ATOM 266 CA GLU A 19 16.788 0.004 -10.254 1.00 53.00 C ATOM 267 C GLU A 19 17.714 -0.949 -9.480 1.00 14.41 C ATOM 268 O GLU A 19 18.016 -0.718 -8.295 1.00 30.30 O ATOM 269 CB GLU A 19 17.487 1.283 -10.710 1.00 13.11 C ATOM 270 CG GLU A 19 16.579 2.126 -11.606 1.00 14.31 C ATOM 271 CD GLU A 19 17.176 3.443 -12.014 1.00 70.54 C ATOM 272 OE1 GLU A 19 18.021 3.473 -12.922 1.00 75.42 O ATOM 273 OE2 GLU A 19 16.782 4.482 -11.450 1.00 0.32 O ATOM 0 H GLU A 19 15.807 1.080 -8.791 1.00 2.01 H new ATOM 0 HA GLU A 19 16.481 -0.531 -11.153 1.00 53.00 H new ATOM 0 HB2 GLU A 19 17.785 1.867 -9.839 1.00 13.11 H new ATOM 0 HB3 GLU A 19 18.399 1.028 -11.250 1.00 13.11 H new ATOM 0 HG2 GLU A 19 16.338 1.555 -12.502 1.00 14.31 H new ATOM 0 HG3 GLU A 19 15.640 2.310 -11.084 1.00 14.31 H new ATOM 280 N PRO A 20 18.148 -2.042 -10.161 1.00 54.32 N ATOM 281 CA PRO A 20 18.964 -3.139 -9.591 1.00 44.22 C ATOM 282 C PRO A 20 20.072 -2.702 -8.636 1.00 41.44 C ATOM 283 O PRO A 20 20.238 -3.296 -7.575 1.00 71.45 O ATOM 284 CB PRO A 20 19.576 -3.783 -10.827 1.00 43.33 C ATOM 285 CG PRO A 20 18.553 -3.596 -11.887 1.00 20.31 C ATOM 286 CD PRO A 20 17.849 -2.298 -11.581 1.00 5.53 C ATOM 0 HA PRO A 20 18.342 -3.789 -8.976 1.00 44.22 H new ATOM 0 HB2 PRO A 20 20.519 -3.308 -11.097 1.00 43.33 H new ATOM 0 HB3 PRO A 20 19.788 -4.839 -10.661 1.00 43.33 H new ATOM 0 HG2 PRO A 20 19.018 -3.562 -12.872 1.00 20.31 H new ATOM 0 HG3 PRO A 20 17.848 -4.427 -11.896 1.00 20.31 H new ATOM 0 HD2 PRO A 20 18.213 -1.490 -12.215 1.00 5.53 H new ATOM 0 HD3 PRO A 20 16.776 -2.379 -11.752 1.00 5.53 H new ATOM 294 N ALA A 21 20.810 -1.663 -9.010 1.00 21.04 N ATOM 295 CA ALA A 21 21.945 -1.191 -8.223 1.00 2.25 C ATOM 296 C ALA A 21 21.565 -0.835 -6.786 1.00 31.13 C ATOM 297 O ALA A 21 22.275 -1.190 -5.851 1.00 10.00 O ATOM 298 CB ALA A 21 22.594 -0.013 -8.897 1.00 1.13 C ATOM 0 H ALA A 21 20.641 -1.127 -9.861 1.00 21.04 H new ATOM 0 HA ALA A 21 22.654 -2.017 -8.167 1.00 2.25 H new ATOM 0 HB1 ALA A 21 23.439 0.328 -8.299 1.00 1.13 H new ATOM 0 HB2 ALA A 21 22.945 -0.308 -9.886 1.00 1.13 H new ATOM 0 HB3 ALA A 21 21.869 0.795 -8.995 1.00 1.13 H new ATOM 304 N VAL A 22 20.439 -0.168 -6.613 1.00 20.14 N ATOM 305 CA VAL A 22 20.006 0.253 -5.291 1.00 61.34 C ATOM 306 C VAL A 22 19.442 -0.934 -4.516 1.00 4.31 C ATOM 307 O VAL A 22 19.639 -1.060 -3.309 1.00 52.31 O ATOM 308 CB VAL A 22 18.956 1.387 -5.354 1.00 60.23 C ATOM 309 CG1 VAL A 22 18.544 1.817 -3.948 1.00 70.44 C ATOM 310 CG2 VAL A 22 19.500 2.577 -6.132 1.00 75.34 C ATOM 0 H VAL A 22 19.807 0.094 -7.370 1.00 20.14 H new ATOM 0 HA VAL A 22 20.883 0.644 -4.774 1.00 61.34 H new ATOM 0 HB VAL A 22 18.075 1.007 -5.872 1.00 60.23 H new ATOM 0 HG11 VAL A 22 17.805 2.615 -4.014 1.00 70.44 H new ATOM 0 HG12 VAL A 22 18.114 0.967 -3.419 1.00 70.44 H new ATOM 0 HG13 VAL A 22 19.419 2.176 -3.406 1.00 70.44 H new ATOM 0 HG21 VAL A 22 18.747 3.365 -6.166 1.00 75.34 H new ATOM 0 HG22 VAL A 22 20.397 2.953 -5.641 1.00 75.34 H new ATOM 0 HG23 VAL A 22 19.746 2.266 -7.148 1.00 75.34 H new ATOM 320 N ALA A 23 18.772 -1.821 -5.208 1.00 55.15 N ATOM 321 CA ALA A 23 18.239 -3.014 -4.561 1.00 4.40 C ATOM 322 C ALA A 23 19.389 -3.907 -4.098 1.00 43.34 C ATOM 323 O ALA A 23 19.317 -4.561 -3.050 1.00 1.21 O ATOM 324 CB ALA A 23 17.353 -3.761 -5.524 1.00 73.44 C ATOM 0 H ALA A 23 18.579 -1.750 -6.207 1.00 55.15 H new ATOM 0 HA ALA A 23 17.648 -2.722 -3.693 1.00 4.40 H new ATOM 0 HB1 ALA A 23 16.956 -4.652 -5.037 1.00 73.44 H new ATOM 0 HB2 ALA A 23 16.528 -3.119 -5.833 1.00 73.44 H new ATOM 0 HB3 ALA A 23 17.933 -4.053 -6.400 1.00 73.44 H new ATOM 330 N ALA A 24 20.462 -3.886 -4.852 1.00 44.12 N ATOM 331 CA ALA A 24 21.620 -4.690 -4.549 1.00 23.13 C ATOM 332 C ALA A 24 22.396 -4.140 -3.360 1.00 65.14 C ATOM 333 O ALA A 24 23.149 -4.861 -2.732 1.00 21.35 O ATOM 334 CB ALA A 24 22.523 -4.830 -5.766 1.00 12.11 C ATOM 0 H ALA A 24 20.556 -3.313 -5.690 1.00 44.12 H new ATOM 0 HA ALA A 24 21.260 -5.682 -4.274 1.00 23.13 H new ATOM 0 HB1 ALA A 24 23.388 -5.441 -5.509 1.00 12.11 H new ATOM 0 HB2 ALA A 24 21.971 -5.306 -6.576 1.00 12.11 H new ATOM 0 HB3 ALA A 24 22.858 -3.843 -6.086 1.00 12.11 H new ATOM 340 N VAL A 25 22.217 -2.870 -3.041 1.00 74.35 N ATOM 341 CA VAL A 25 22.936 -2.310 -1.902 1.00 44.05 C ATOM 342 C VAL A 25 22.157 -2.516 -0.600 1.00 31.01 C ATOM 343 O VAL A 25 22.736 -2.537 0.487 1.00 73.21 O ATOM 344 CB VAL A 25 23.327 -0.811 -2.083 1.00 11.31 C ATOM 345 CG1 VAL A 25 24.137 -0.610 -3.349 1.00 61.52 C ATOM 346 CG2 VAL A 25 22.123 0.105 -2.063 1.00 70.22 C ATOM 0 H VAL A 25 21.602 -2.222 -3.534 1.00 74.35 H new ATOM 0 HA VAL A 25 23.874 -2.863 -1.844 1.00 44.05 H new ATOM 0 HB VAL A 25 23.947 -0.541 -1.228 1.00 11.31 H new ATOM 0 HG11 VAL A 25 24.397 0.444 -3.451 1.00 61.52 H new ATOM 0 HG12 VAL A 25 25.049 -1.205 -3.296 1.00 61.52 H new ATOM 0 HG13 VAL A 25 23.549 -0.924 -4.211 1.00 61.52 H new ATOM 0 HG21 VAL A 25 22.449 1.137 -2.193 1.00 70.22 H new ATOM 0 HG22 VAL A 25 21.446 -0.166 -2.873 1.00 70.22 H new ATOM 0 HG23 VAL A 25 21.606 0.005 -1.109 1.00 70.22 H new ATOM 356 N ILE A 26 20.847 -2.678 -0.714 1.00 62.13 N ATOM 357 CA ILE A 26 20.021 -2.903 0.435 1.00 5.23 C ATOM 358 C ILE A 26 19.952 -4.411 0.779 1.00 21.50 C ATOM 359 O ILE A 26 20.104 -4.787 1.937 1.00 41.34 O ATOM 360 CB ILE A 26 18.576 -2.241 0.248 1.00 53.53 C ATOM 361 CG1 ILE A 26 17.677 -2.343 1.502 1.00 21.51 C ATOM 362 CG2 ILE A 26 17.856 -2.773 -0.966 1.00 44.53 C ATOM 363 CD1 ILE A 26 17.151 -3.720 1.845 1.00 61.45 C ATOM 0 H ILE A 26 20.343 -2.656 -1.600 1.00 62.13 H new ATOM 0 HA ILE A 26 20.477 -2.407 1.292 1.00 5.23 H new ATOM 0 HB ILE A 26 18.774 -1.181 0.091 1.00 53.53 H new ATOM 0 HG12 ILE A 26 18.241 -1.970 2.357 1.00 21.51 H new ATOM 0 HG13 ILE A 26 16.825 -1.676 1.366 1.00 21.51 H new ATOM 0 HG21 ILE A 26 16.881 -2.294 -1.050 1.00 44.53 H new ATOM 0 HG22 ILE A 26 18.443 -2.560 -1.859 1.00 44.53 H new ATOM 0 HG23 ILE A 26 17.723 -3.850 -0.867 1.00 44.53 H new ATOM 0 HD11 ILE A 26 16.535 -3.661 2.742 1.00 61.45 H new ATOM 0 HD12 ILE A 26 16.551 -4.097 1.017 1.00 61.45 H new ATOM 0 HD13 ILE A 26 17.988 -4.395 2.023 1.00 61.45 H new ATOM 375 N LEU A 27 19.737 -5.256 -0.218 1.00 43.43 N ATOM 376 CA LEU A 27 19.585 -6.693 0.035 1.00 33.30 C ATOM 377 C LEU A 27 20.892 -7.433 -0.111 1.00 74.23 C ATOM 378 O LEU A 27 20.993 -8.595 0.293 1.00 54.52 O ATOM 379 CB LEU A 27 18.585 -7.320 -0.937 1.00 43.23 C ATOM 380 CG LEU A 27 17.153 -6.819 -0.920 1.00 64.23 C ATOM 381 CD1 LEU A 27 16.355 -7.610 -1.916 1.00 1.12 C ATOM 382 CD2 LEU A 27 16.542 -6.957 0.453 1.00 35.12 C ATOM 0 H LEU A 27 19.664 -4.984 -1.198 1.00 43.43 H new ATOM 0 HA LEU A 27 19.227 -6.783 1.061 1.00 33.30 H new ATOM 0 HB2 LEU A 27 18.973 -7.184 -1.947 1.00 43.23 H new ATOM 0 HB3 LEU A 27 18.564 -8.393 -0.746 1.00 43.23 H new ATOM 0 HG LEU A 27 17.145 -5.761 -1.182 1.00 64.23 H new ATOM 0 HD11 LEU A 27 15.323 -7.261 -1.915 1.00 1.12 H new ATOM 0 HD12 LEU A 27 16.781 -7.479 -2.910 1.00 1.12 H new ATOM 0 HD13 LEU A 27 16.381 -8.666 -1.647 1.00 1.12 H new ATOM 0 HD21 LEU A 27 15.516 -6.590 0.433 1.00 35.12 H new ATOM 0 HD22 LEU A 27 16.546 -8.006 0.749 1.00 35.12 H new ATOM 0 HD23 LEU A 27 17.122 -6.375 1.169 1.00 35.12 H new ATOM 394 N ASP A 28 21.878 -6.766 -0.724 1.00 60.11 N ATOM 395 CA ASP A 28 23.207 -7.355 -1.055 1.00 32.12 C ATOM 396 C ASP A 28 23.049 -8.329 -2.245 1.00 53.14 C ATOM 397 O ASP A 28 23.972 -9.008 -2.663 1.00 21.44 O ATOM 398 CB ASP A 28 23.876 -8.018 0.183 1.00 20.33 C ATOM 399 CG ASP A 28 25.291 -8.513 -0.066 1.00 4.23 C ATOM 400 OD1 ASP A 28 26.236 -7.692 -0.021 1.00 2.44 O ATOM 401 OD2 ASP A 28 25.488 -9.725 -0.286 1.00 72.41 O ATOM 0 H ASP A 28 21.787 -5.792 -1.012 1.00 60.11 H new ATOM 0 HA ASP A 28 23.887 -6.557 -1.354 1.00 32.12 H new ATOM 0 HB2 ASP A 28 23.893 -7.299 1.002 1.00 20.33 H new ATOM 0 HB3 ASP A 28 23.261 -8.857 0.509 1.00 20.33 H new ATOM 406 N ARG A 29 21.848 -8.329 -2.798 1.00 54.13 N ATOM 407 CA ARG A 29 21.450 -9.139 -3.931 1.00 61.24 C ATOM 408 C ARG A 29 20.493 -8.322 -4.767 1.00 35.03 C ATOM 409 O ARG A 29 19.957 -7.324 -4.285 1.00 41.30 O ATOM 410 CB ARG A 29 20.717 -10.403 -3.467 1.00 5.41 C ATOM 411 CG ARG A 29 21.554 -11.410 -2.697 1.00 4.24 C ATOM 412 CD ARG A 29 20.686 -12.569 -2.233 1.00 4.13 C ATOM 413 NE ARG A 29 19.975 -13.206 -3.354 1.00 2.02 N ATOM 414 CZ ARG A 29 18.802 -13.854 -3.250 1.00 32.11 C ATOM 415 NH1 ARG A 29 18.207 -13.988 -2.061 1.00 62.14 N ATOM 416 NH2 ARG A 29 18.230 -14.358 -4.334 1.00 30.34 N ATOM 0 H ARG A 29 21.092 -7.737 -2.452 1.00 54.13 H new ATOM 0 HA ARG A 29 22.337 -9.431 -4.494 1.00 61.24 H new ATOM 0 HB2 ARG A 29 19.877 -10.103 -2.841 1.00 5.41 H new ATOM 0 HB3 ARG A 29 20.300 -10.900 -4.343 1.00 5.41 H new ATOM 0 HG2 ARG A 29 22.362 -11.781 -3.328 1.00 4.24 H new ATOM 0 HG3 ARG A 29 22.018 -10.927 -1.837 1.00 4.24 H new ATOM 0 HD2 ARG A 29 21.308 -13.309 -1.730 1.00 4.13 H new ATOM 0 HD3 ARG A 29 19.962 -12.210 -1.501 1.00 4.13 H new ATOM 0 HE ARG A 29 20.404 -13.152 -4.278 1.00 2.02 H new ATOM 0 HH11 ARG A 29 18.643 -13.597 -1.226 1.00 62.14 H new ATOM 0 HH12 ARG A 29 17.317 -14.481 -1.989 1.00 62.14 H new ATOM 0 HH21 ARG A 29 18.680 -14.254 -5.243 1.00 30.34 H new ATOM 0 HH22 ARG A 29 17.340 -14.850 -4.259 1.00 30.34 H new ATOM 430 N THR A 30 20.268 -8.732 -5.990 1.00 63.40 N ATOM 431 CA THR A 30 19.344 -8.039 -6.862 1.00 64.04 C ATOM 432 C THR A 30 17.898 -8.376 -6.477 1.00 4.03 C ATOM 433 O THR A 30 17.519 -9.549 -6.449 1.00 24.44 O ATOM 434 CB THR A 30 19.605 -8.411 -8.340 1.00 74.33 C ATOM 435 OG1 THR A 30 19.588 -9.846 -8.491 1.00 15.03 O ATOM 436 CG2 THR A 30 20.949 -7.867 -8.806 1.00 41.40 C ATOM 0 H THR A 30 20.714 -9.548 -6.410 1.00 63.40 H new ATOM 0 HA THR A 30 19.499 -6.966 -6.745 1.00 64.04 H new ATOM 0 HB THR A 30 18.819 -7.967 -8.951 1.00 74.33 H new ATOM 0 HG1 THR A 30 18.967 -10.236 -7.841 1.00 15.03 H new ATOM 0 HG21 THR A 30 21.111 -8.141 -9.848 1.00 41.40 H new ATOM 0 HG22 THR A 30 20.955 -6.781 -8.711 1.00 41.40 H new ATOM 0 HG23 THR A 30 21.745 -8.289 -8.192 1.00 41.40 H new ATOM 444 N ALA A 31 17.113 -7.362 -6.169 1.00 15.12 N ATOM 445 CA ALA A 31 15.728 -7.558 -5.761 1.00 30.12 C ATOM 446 C ALA A 31 14.820 -7.601 -6.947 1.00 45.03 C ATOM 447 O ALA A 31 15.159 -7.093 -8.015 1.00 3.22 O ATOM 448 CB ALA A 31 15.272 -6.433 -4.864 1.00 54.34 C ATOM 0 H ALA A 31 17.410 -6.386 -6.193 1.00 15.12 H new ATOM 0 HA ALA A 31 15.683 -8.507 -5.227 1.00 30.12 H new ATOM 0 HB1 ALA A 31 14.235 -6.599 -4.571 1.00 54.34 H new ATOM 0 HB2 ALA A 31 15.900 -6.400 -3.974 1.00 54.34 H new ATOM 0 HB3 ALA A 31 15.351 -5.486 -5.399 1.00 54.34 H new ATOM 454 N ASP A 32 13.686 -8.211 -6.786 1.00 53.32 N ATOM 455 CA ASP A 32 12.705 -8.199 -7.834 1.00 32.02 C ATOM 456 C ASP A 32 11.651 -7.178 -7.563 1.00 42.45 C ATOM 457 O ASP A 32 10.843 -7.338 -6.634 1.00 74.10 O ATOM 458 CB ASP A 32 12.036 -9.567 -8.061 1.00 71.30 C ATOM 459 CG ASP A 32 12.958 -10.629 -8.593 1.00 73.22 C ATOM 460 OD1 ASP A 32 13.318 -10.563 -9.800 1.00 1.40 O ATOM 461 OD2 ASP A 32 13.301 -11.576 -7.840 1.00 0.50 O ATOM 0 H ASP A 32 13.415 -8.721 -5.945 1.00 53.32 H new ATOM 0 HA ASP A 32 13.250 -7.946 -8.744 1.00 32.02 H new ATOM 0 HB2 ASP A 32 11.611 -9.911 -7.118 1.00 71.30 H new ATOM 0 HB3 ASP A 32 11.207 -9.441 -8.757 1.00 71.30 H new ATOM 466 N THR A 33 11.645 -6.129 -8.336 1.00 13.25 N ATOM 467 CA THR A 33 10.568 -5.209 -8.259 1.00 21.34 C ATOM 468 C THR A 33 9.626 -5.496 -9.390 1.00 4.33 C ATOM 469 O THR A 33 10.058 -5.808 -10.506 1.00 23.53 O ATOM 470 CB THR A 33 11.023 -3.731 -8.329 1.00 4.11 C ATOM 471 OG1 THR A 33 11.981 -3.529 -9.379 1.00 11.32 O ATOM 472 CG2 THR A 33 11.540 -3.215 -7.007 1.00 71.31 C ATOM 0 H THR A 33 12.369 -5.899 -9.016 1.00 13.25 H new ATOM 0 HA THR A 33 10.086 -5.339 -7.290 1.00 21.34 H new ATOM 0 HB THR A 33 10.135 -3.145 -8.564 1.00 4.11 H new ATOM 0 HG1 THR A 33 12.249 -2.587 -9.401 1.00 11.32 H new ATOM 0 HG21 THR A 33 11.844 -2.174 -7.117 1.00 71.31 H new ATOM 0 HG22 THR A 33 10.753 -3.286 -6.256 1.00 71.31 H new ATOM 0 HG23 THR A 33 12.396 -3.812 -6.693 1.00 71.31 H new ATOM 480 N VAL A 34 8.369 -5.379 -9.130 1.00 0.34 N ATOM 481 CA VAL A 34 7.356 -5.617 -10.124 1.00 32.14 C ATOM 482 C VAL A 34 6.295 -4.546 -10.003 1.00 2.13 C ATOM 483 O VAL A 34 6.058 -4.054 -8.893 1.00 74.21 O ATOM 484 CB VAL A 34 6.717 -7.038 -9.989 1.00 13.23 C ATOM 485 CG1 VAL A 34 7.737 -8.129 -10.284 1.00 54.42 C ATOM 486 CG2 VAL A 34 6.135 -7.243 -8.604 1.00 72.50 C ATOM 0 H VAL A 34 8.003 -5.113 -8.216 1.00 0.34 H new ATOM 0 HA VAL A 34 7.822 -5.577 -11.108 1.00 32.14 H new ATOM 0 HB VAL A 34 5.913 -7.104 -10.722 1.00 13.23 H new ATOM 0 HG11 VAL A 34 7.264 -9.106 -10.182 1.00 54.42 H new ATOM 0 HG12 VAL A 34 8.112 -8.011 -11.301 1.00 54.42 H new ATOM 0 HG13 VAL A 34 8.566 -8.052 -9.580 1.00 54.42 H new ATOM 0 HG21 VAL A 34 5.697 -8.239 -8.537 1.00 72.50 H new ATOM 0 HG22 VAL A 34 6.924 -7.143 -7.859 1.00 72.50 H new ATOM 0 HG23 VAL A 34 5.364 -6.495 -8.419 1.00 72.50 H new ATOM 496 N PRO A 35 5.665 -4.149 -11.122 1.00 33.41 N ATOM 497 CA PRO A 35 4.663 -3.081 -11.126 1.00 3.12 C ATOM 498 C PRO A 35 3.483 -3.397 -10.223 1.00 52.30 C ATOM 499 O PRO A 35 2.990 -4.536 -10.184 1.00 64.11 O ATOM 500 CB PRO A 35 4.193 -3.006 -12.582 1.00 64.42 C ATOM 501 CG PRO A 35 5.240 -3.695 -13.374 1.00 34.31 C ATOM 502 CD PRO A 35 5.860 -4.715 -12.468 1.00 13.24 C ATOM 0 HA PRO A 35 5.083 -2.146 -10.754 1.00 3.12 H new ATOM 0 HB2 PRO A 35 3.225 -3.490 -12.707 1.00 64.42 H new ATOM 0 HB3 PRO A 35 4.076 -1.971 -12.903 1.00 64.42 H new ATOM 0 HG2 PRO A 35 4.809 -4.170 -14.255 1.00 34.31 H new ATOM 0 HG3 PRO A 35 5.988 -2.985 -13.728 1.00 34.31 H new ATOM 0 HD2 PRO A 35 5.376 -5.687 -12.568 1.00 13.24 H new ATOM 0 HD3 PRO A 35 6.917 -4.861 -12.692 1.00 13.24 H new ATOM 510 N ALA A 36 3.076 -2.426 -9.472 1.00 4.55 N ATOM 511 CA ALA A 36 1.937 -2.529 -8.622 1.00 22.03 C ATOM 512 C ALA A 36 1.318 -1.174 -8.464 1.00 31.12 C ATOM 513 O ALA A 36 1.988 -0.170 -8.648 1.00 3.21 O ATOM 514 CB ALA A 36 2.309 -3.094 -7.276 1.00 60.10 C ATOM 0 H ALA A 36 3.538 -1.518 -9.432 1.00 4.55 H new ATOM 0 HA ALA A 36 1.219 -3.211 -9.078 1.00 22.03 H new ATOM 0 HB1 ALA A 36 1.419 -3.160 -6.651 1.00 60.10 H new ATOM 0 HB2 ALA A 36 2.737 -4.088 -7.404 1.00 60.10 H new ATOM 0 HB3 ALA A 36 3.041 -2.443 -6.798 1.00 60.10 H new ATOM 520 N VAL A 37 0.065 -1.117 -8.140 1.00 74.41 N ATOM 521 CA VAL A 37 -0.535 0.165 -7.941 1.00 33.04 C ATOM 522 C VAL A 37 -1.165 0.283 -6.559 1.00 71.35 C ATOM 523 O VAL A 37 -1.978 -0.564 -6.140 1.00 41.42 O ATOM 524 CB VAL A 37 -1.534 0.560 -9.068 1.00 5.02 C ATOM 525 CG1 VAL A 37 -2.760 -0.339 -9.097 1.00 55.30 C ATOM 526 CG2 VAL A 37 -1.922 2.018 -8.963 1.00 52.11 C ATOM 0 H VAL A 37 -0.550 -1.920 -8.010 1.00 74.41 H new ATOM 0 HA VAL A 37 0.278 0.889 -7.997 1.00 33.04 H new ATOM 0 HB VAL A 37 -1.018 0.414 -10.017 1.00 5.02 H new ATOM 0 HG11 VAL A 37 -3.425 -0.022 -9.900 1.00 55.30 H new ATOM 0 HG12 VAL A 37 -2.451 -1.370 -9.268 1.00 55.30 H new ATOM 0 HG13 VAL A 37 -3.284 -0.270 -8.144 1.00 55.30 H new ATOM 0 HG21 VAL A 37 -2.620 2.267 -9.762 1.00 52.11 H new ATOM 0 HG22 VAL A 37 -2.395 2.200 -7.998 1.00 52.11 H new ATOM 0 HG23 VAL A 37 -1.031 2.639 -9.053 1.00 52.11 H new ATOM 536 N LEU A 38 -0.781 1.312 -5.851 1.00 22.44 N ATOM 537 CA LEU A 38 -1.292 1.581 -4.555 1.00 53.20 C ATOM 538 C LEU A 38 -2.481 2.498 -4.628 1.00 13.51 C ATOM 539 O LEU A 38 -2.353 3.720 -4.682 1.00 54.42 O ATOM 540 CB LEU A 38 -0.222 2.153 -3.619 1.00 34.22 C ATOM 541 CG LEU A 38 -0.705 2.587 -2.223 1.00 10.43 C ATOM 542 CD1 LEU A 38 -1.483 1.483 -1.531 1.00 74.23 C ATOM 543 CD2 LEU A 38 0.475 2.977 -1.378 1.00 21.41 C ATOM 0 H LEU A 38 -0.092 1.992 -6.174 1.00 22.44 H new ATOM 0 HA LEU A 38 -1.613 0.628 -4.134 1.00 53.20 H new ATOM 0 HB2 LEU A 38 0.560 1.404 -3.494 1.00 34.22 H new ATOM 0 HB3 LEU A 38 0.236 3.014 -4.107 1.00 34.22 H new ATOM 0 HG LEU A 38 -1.372 3.440 -2.350 1.00 10.43 H new ATOM 0 HD11 LEU A 38 -1.807 1.827 -0.549 1.00 74.23 H new ATOM 0 HD12 LEU A 38 -2.355 1.222 -2.130 1.00 74.23 H new ATOM 0 HD13 LEU A 38 -0.846 0.606 -1.416 1.00 74.23 H new ATOM 0 HD21 LEU A 38 0.130 3.284 -0.391 1.00 21.41 H new ATOM 0 HD22 LEU A 38 1.149 2.126 -1.279 1.00 21.41 H new ATOM 0 HD23 LEU A 38 1.003 3.805 -1.851 1.00 21.41 H new ATOM 555 N HIS A 39 -3.611 1.899 -4.723 1.00 64.23 N ATOM 556 CA HIS A 39 -4.868 2.593 -4.654 1.00 31.43 C ATOM 557 C HIS A 39 -5.131 3.027 -3.208 1.00 63.31 C ATOM 558 O HIS A 39 -5.073 2.201 -2.292 1.00 44.14 O ATOM 559 CB HIS A 39 -6.010 1.691 -5.193 1.00 72.13 C ATOM 560 CG HIS A 39 -6.075 0.316 -4.556 1.00 20.10 C ATOM 561 ND1 HIS A 39 -6.816 0.030 -3.449 1.00 50.22 N ATOM 562 CD2 HIS A 39 -5.449 -0.841 -4.886 1.00 23.11 C ATOM 563 CE1 HIS A 39 -6.645 -1.227 -3.117 1.00 21.14 C ATOM 564 NE2 HIS A 39 -5.824 -1.780 -3.974 1.00 43.30 N ATOM 0 H HIS A 39 -3.702 0.892 -4.854 1.00 64.23 H new ATOM 0 HA HIS A 39 -4.830 3.485 -5.280 1.00 31.43 H new ATOM 0 HB2 HIS A 39 -6.962 2.197 -5.034 1.00 72.13 H new ATOM 0 HB3 HIS A 39 -5.887 1.574 -6.270 1.00 72.13 H new ATOM 0 HD2 HIS A 39 -4.777 -0.990 -5.718 1.00 23.11 H new ATOM 0 HE1 HIS A 39 -7.105 -1.724 -2.276 1.00 21.14 H new ATOM 0 HE2 HIS A 39 -5.516 -2.752 -3.961 1.00 43.30 H new ATOM 573 N GLY A 40 -5.364 4.305 -3.005 1.00 4.52 N ATOM 574 CA GLY A 40 -5.648 4.794 -1.674 1.00 24.25 C ATOM 575 C GLY A 40 -4.683 5.865 -1.229 1.00 53.34 C ATOM 576 O GLY A 40 -4.947 6.590 -0.264 1.00 63.04 O ATOM 0 H GLY A 40 -5.363 5.017 -3.735 1.00 4.52 H new ATOM 0 HA2 GLY A 40 -6.663 5.191 -1.646 1.00 24.25 H new ATOM 0 HA3 GLY A 40 -5.611 3.962 -0.970 1.00 24.25 H new ATOM 580 N TYR A 41 -3.569 5.961 -1.909 1.00 44.41 N ATOM 581 CA TYR A 41 -2.575 6.950 -1.613 1.00 53.04 C ATOM 582 C TYR A 41 -2.317 7.795 -2.817 1.00 60.30 C ATOM 583 O TYR A 41 -2.550 7.361 -3.943 1.00 22.24 O ATOM 584 CB TYR A 41 -1.278 6.304 -1.104 1.00 25.52 C ATOM 585 CG TYR A 41 -1.349 5.849 0.335 1.00 63.51 C ATOM 586 CD1 TYR A 41 -2.042 4.703 0.717 1.00 24.25 C ATOM 587 CD2 TYR A 41 -0.739 6.600 1.317 1.00 34.25 C ATOM 588 CE1 TYR A 41 -2.116 4.326 2.043 1.00 55.33 C ATOM 589 CE2 TYR A 41 -0.811 6.233 2.645 1.00 22.04 C ATOM 590 CZ TYR A 41 -1.498 5.098 3.005 1.00 33.02 C ATOM 591 OH TYR A 41 -1.572 4.736 4.339 1.00 32.42 O ATOM 0 H TYR A 41 -3.328 5.349 -2.688 1.00 44.41 H new ATOM 0 HA TYR A 41 -2.954 7.588 -0.815 1.00 53.04 H new ATOM 0 HB2 TYR A 41 -1.037 5.448 -1.735 1.00 25.52 H new ATOM 0 HB3 TYR A 41 -0.461 7.018 -1.210 1.00 25.52 H new ATOM 0 HD1 TYR A 41 -2.529 4.100 -0.035 1.00 24.25 H new ATOM 0 HD2 TYR A 41 -0.195 7.492 1.042 1.00 34.25 H new ATOM 0 HE1 TYR A 41 -2.654 3.433 2.325 1.00 55.33 H new ATOM 0 HE2 TYR A 41 -0.329 6.836 3.400 1.00 22.04 H new ATOM 0 HH TYR A 41 -1.082 5.388 4.882 1.00 32.42 H new ATOM 601 N HIS A 42 -1.855 8.995 -2.600 1.00 44.53 N ATOM 602 CA HIS A 42 -1.568 9.884 -3.695 1.00 31.40 C ATOM 603 C HIS A 42 -0.166 10.400 -3.477 1.00 15.14 C ATOM 604 O HIS A 42 0.186 10.712 -2.347 1.00 25.04 O ATOM 605 CB HIS A 42 -2.594 11.053 -3.681 1.00 14.24 C ATOM 606 CG HIS A 42 -2.607 11.965 -4.901 1.00 32.42 C ATOM 607 ND1 HIS A 42 -3.736 12.170 -5.656 1.00 3.41 N ATOM 608 CD2 HIS A 42 -1.656 12.754 -5.456 1.00 73.24 C ATOM 609 CE1 HIS A 42 -3.485 13.030 -6.615 1.00 5.33 C ATOM 610 NE2 HIS A 42 -2.234 13.404 -6.519 1.00 45.13 N ATOM 0 H HIS A 42 -1.668 9.382 -1.675 1.00 44.53 H new ATOM 0 HA HIS A 42 -1.641 9.382 -4.660 1.00 31.40 H new ATOM 0 HB2 HIS A 42 -3.591 10.629 -3.562 1.00 14.24 H new ATOM 0 HB3 HIS A 42 -2.401 11.665 -2.800 1.00 14.24 H new ATOM 0 HD1 HIS A 42 -4.637 11.720 -5.495 1.00 3.41 H new ATOM 0 HD2 HIS A 42 -0.633 12.854 -5.124 1.00 73.24 H new ATOM 0 HE1 HIS A 42 -4.191 13.371 -7.358 1.00 5.33 H new ATOM 619 N ARG A 43 0.649 10.445 -4.517 1.00 74.32 N ATOM 620 CA ARG A 43 1.968 11.016 -4.364 1.00 14.11 C ATOM 621 C ARG A 43 1.846 12.473 -4.620 1.00 63.31 C ATOM 622 O ARG A 43 1.264 12.880 -5.605 1.00 51.11 O ATOM 623 CB ARG A 43 3.025 10.404 -5.318 1.00 51.41 C ATOM 624 CG ARG A 43 4.459 10.897 -5.006 1.00 70.50 C ATOM 625 CD ARG A 43 5.516 10.388 -5.990 1.00 64.10 C ATOM 626 NE ARG A 43 5.325 10.929 -7.328 1.00 20.33 N ATOM 627 CZ ARG A 43 6.238 10.997 -8.299 1.00 63.23 C ATOM 628 NH1 ARG A 43 7.485 10.582 -8.102 1.00 72.45 N ATOM 629 NH2 ARG A 43 5.884 11.495 -9.464 1.00 32.23 N ATOM 0 H ARG A 43 0.426 10.102 -5.451 1.00 74.32 H new ATOM 0 HA ARG A 43 2.321 10.800 -3.356 1.00 14.11 H new ATOM 0 HB2 ARG A 43 2.993 9.317 -5.242 1.00 51.41 H new ATOM 0 HB3 ARG A 43 2.772 10.659 -6.347 1.00 51.41 H new ATOM 0 HG2 ARG A 43 4.467 11.987 -5.010 1.00 70.50 H new ATOM 0 HG3 ARG A 43 4.731 10.580 -3.999 1.00 70.50 H new ATOM 0 HD2 ARG A 43 6.508 10.659 -5.628 1.00 64.10 H new ATOM 0 HD3 ARG A 43 5.478 9.299 -6.031 1.00 64.10 H new ATOM 0 HE ARG A 43 4.398 11.294 -7.546 1.00 20.33 H new ATOM 0 HH11 ARG A 43 7.759 10.203 -7.196 1.00 72.45 H new ATOM 0 HH12 ARG A 43 8.168 10.642 -8.857 1.00 72.45 H new ATOM 0 HH21 ARG A 43 4.928 11.820 -9.611 1.00 32.23 H new ATOM 0 HH22 ARG A 43 6.565 11.557 -10.221 1.00 32.23 H new ATOM 643 N TYR A 44 2.313 13.237 -3.719 1.00 44.23 N ATOM 644 CA TYR A 44 2.263 14.649 -3.848 1.00 24.03 C ATOM 645 C TYR A 44 3.627 15.076 -4.291 1.00 63.51 C ATOM 646 O TYR A 44 4.613 14.742 -3.630 1.00 40.12 O ATOM 647 CB TYR A 44 1.866 15.260 -2.500 1.00 22.33 C ATOM 648 CG TYR A 44 0.601 14.622 -1.946 1.00 61.23 C ATOM 649 CD1 TYR A 44 -0.648 14.971 -2.420 1.00 71.24 C ATOM 650 CD2 TYR A 44 0.673 13.635 -0.978 1.00 61.42 C ATOM 651 CE1 TYR A 44 -1.792 14.363 -1.943 1.00 70.03 C ATOM 652 CE2 TYR A 44 -0.462 13.022 -0.503 1.00 12.05 C ATOM 653 CZ TYR A 44 -1.693 13.387 -0.985 1.00 3.40 C ATOM 654 OH TYR A 44 -2.836 12.767 -0.503 1.00 74.31 O ATOM 0 H TYR A 44 2.748 12.906 -2.858 1.00 44.23 H new ATOM 0 HA TYR A 44 1.523 14.984 -4.574 1.00 24.03 H new ATOM 0 HB2 TYR A 44 2.681 15.131 -1.788 1.00 22.33 H new ATOM 0 HB3 TYR A 44 1.712 16.333 -2.618 1.00 22.33 H new ATOM 0 HD1 TYR A 44 -0.732 15.735 -3.179 1.00 71.24 H new ATOM 0 HD2 TYR A 44 1.637 13.342 -0.589 1.00 61.42 H new ATOM 0 HE1 TYR A 44 -2.760 14.655 -2.323 1.00 70.03 H new ATOM 0 HE2 TYR A 44 -0.384 12.252 0.250 1.00 12.05 H new ATOM 0 HH TYR A 44 -2.609 11.872 -0.175 1.00 74.31 H new ATOM 664 N LYS A 45 3.706 15.759 -5.409 1.00 21.33 N ATOM 665 CA LYS A 45 4.949 16.092 -5.982 1.00 63.24 C ATOM 666 C LYS A 45 5.575 17.241 -5.209 1.00 74.43 C ATOM 667 O LYS A 45 5.257 18.433 -5.419 1.00 41.44 O ATOM 668 CB LYS A 45 4.754 16.382 -7.488 1.00 31.03 C ATOM 669 CG LYS A 45 6.016 16.345 -8.349 1.00 65.30 C ATOM 670 CD LYS A 45 6.942 17.500 -8.092 1.00 62.22 C ATOM 671 CE LYS A 45 6.436 18.790 -8.717 1.00 2.44 C ATOM 672 NZ LYS A 45 6.199 18.644 -10.182 1.00 70.44 N ATOM 0 H LYS A 45 2.896 16.091 -5.933 1.00 21.33 H new ATOM 0 HA LYS A 45 5.650 15.261 -5.913 1.00 63.24 H new ATOM 0 HB2 LYS A 45 4.045 15.657 -7.888 1.00 31.03 H new ATOM 0 HB3 LYS A 45 4.297 17.366 -7.591 1.00 31.03 H new ATOM 0 HG2 LYS A 45 6.548 15.412 -8.162 1.00 65.30 H new ATOM 0 HG3 LYS A 45 5.730 16.344 -9.401 1.00 65.30 H new ATOM 0 HD2 LYS A 45 7.057 17.639 -7.017 1.00 62.22 H new ATOM 0 HD3 LYS A 45 7.930 17.268 -8.491 1.00 62.22 H new ATOM 0 HE2 LYS A 45 5.510 19.091 -8.228 1.00 2.44 H new ATOM 0 HE3 LYS A 45 7.161 19.586 -8.544 1.00 2.44 H new ATOM 0 HZ1 LYS A 45 6.188 19.584 -10.627 1.00 70.44 H new ATOM 0 HZ2 LYS A 45 6.959 18.071 -10.601 1.00 70.44 H new ATOM 0 HZ3 LYS A 45 5.284 18.175 -10.341 1.00 70.44 H new ATOM 686 N LEU A 46 6.400 16.864 -4.271 1.00 61.43 N ATOM 687 CA LEU A 46 7.120 17.785 -3.425 1.00 1.14 C ATOM 688 C LEU A 46 8.337 18.335 -4.080 1.00 24.31 C ATOM 689 O LEU A 46 9.388 17.686 -4.119 1.00 60.45 O ATOM 690 CB LEU A 46 7.511 17.171 -2.063 1.00 72.31 C ATOM 691 CG LEU A 46 6.520 17.285 -0.918 1.00 75.20 C ATOM 692 CD1 LEU A 46 5.199 16.622 -1.233 1.00 32.22 C ATOM 693 CD2 LEU A 46 7.103 16.719 0.361 1.00 10.13 C ATOM 0 H LEU A 46 6.597 15.884 -4.066 1.00 61.43 H new ATOM 0 HA LEU A 46 6.419 18.601 -3.248 1.00 1.14 H new ATOM 0 HB2 LEU A 46 7.718 16.113 -2.221 1.00 72.31 H new ATOM 0 HB3 LEU A 46 8.445 17.634 -1.744 1.00 72.31 H new ATOM 0 HG LEU A 46 6.324 18.348 -0.776 1.00 75.20 H new ATOM 0 HD11 LEU A 46 4.525 16.731 -0.383 1.00 32.22 H new ATOM 0 HD12 LEU A 46 4.756 17.093 -2.110 1.00 32.22 H new ATOM 0 HD13 LEU A 46 5.362 15.563 -1.433 1.00 32.22 H new ATOM 0 HD21 LEU A 46 6.374 16.813 1.166 1.00 10.13 H new ATOM 0 HD22 LEU A 46 7.349 15.667 0.215 1.00 10.13 H new ATOM 0 HD23 LEU A 46 8.006 17.270 0.624 1.00 10.13 H new ATOM 705 N LYS A 47 8.211 19.516 -4.606 1.00 3.24 N ATOM 706 CA LYS A 47 9.342 20.201 -5.118 1.00 3.32 C ATOM 707 C LYS A 47 10.063 20.892 -3.983 1.00 23.53 C ATOM 708 O LYS A 47 9.802 22.026 -3.620 1.00 65.02 O ATOM 709 CB LYS A 47 9.018 21.069 -6.368 1.00 72.14 C ATOM 710 CG LYS A 47 7.765 21.957 -6.281 1.00 42.53 C ATOM 711 CD LYS A 47 7.921 23.214 -5.436 1.00 21.03 C ATOM 712 CE LYS A 47 8.982 24.149 -5.997 1.00 64.32 C ATOM 713 NZ LYS A 47 9.125 25.371 -5.188 1.00 5.25 N ATOM 0 H LYS A 47 7.329 20.021 -4.689 1.00 3.24 H new ATOM 0 HA LYS A 47 10.053 19.486 -5.533 1.00 3.32 H new ATOM 0 HB2 LYS A 47 9.877 21.709 -6.571 1.00 72.14 H new ATOM 0 HB3 LYS A 47 8.907 20.405 -7.225 1.00 72.14 H new ATOM 0 HG2 LYS A 47 7.476 22.250 -7.290 1.00 42.53 H new ATOM 0 HG3 LYS A 47 6.946 21.364 -5.874 1.00 42.53 H new ATOM 0 HD2 LYS A 47 6.966 23.738 -5.385 1.00 21.03 H new ATOM 0 HD3 LYS A 47 8.186 22.935 -4.416 1.00 21.03 H new ATOM 0 HE2 LYS A 47 9.939 23.628 -6.039 1.00 64.32 H new ATOM 0 HE3 LYS A 47 8.722 24.420 -7.020 1.00 64.32 H new ATOM 0 HZ1 LYS A 47 9.858 25.980 -5.605 1.00 5.25 H new ATOM 0 HZ2 LYS A 47 8.220 25.882 -5.169 1.00 5.25 H new ATOM 0 HZ3 LYS A 47 9.399 25.115 -4.218 1.00 5.25 H new ATOM 727 N GLY A 48 10.886 20.130 -3.354 1.00 63.43 N ATOM 728 CA GLY A 48 11.580 20.593 -2.224 1.00 74.23 C ATOM 729 C GLY A 48 12.370 19.478 -1.616 1.00 5.45 C ATOM 730 O GLY A 48 13.584 19.592 -1.435 1.00 31.51 O ATOM 0 H GLY A 48 11.092 19.166 -3.616 1.00 63.43 H new ATOM 0 HA2 GLY A 48 12.245 21.410 -2.505 1.00 74.23 H new ATOM 0 HA3 GLY A 48 10.876 20.992 -1.493 1.00 74.23 H new ATOM 734 N LEU A 49 11.693 18.378 -1.322 1.00 31.54 N ATOM 735 CA LEU A 49 12.366 17.191 -0.792 1.00 32.22 C ATOM 736 C LEU A 49 12.732 16.242 -1.954 1.00 71.41 C ATOM 737 O LEU A 49 12.272 16.457 -3.077 1.00 72.32 O ATOM 738 CB LEU A 49 11.456 16.485 0.225 1.00 35.21 C ATOM 739 CG LEU A 49 11.061 17.295 1.459 1.00 31.12 C ATOM 740 CD1 LEU A 49 10.175 16.471 2.360 1.00 32.45 C ATOM 741 CD2 LEU A 49 12.292 17.761 2.220 1.00 41.52 C ATOM 0 H LEU A 49 10.685 18.278 -1.439 1.00 31.54 H new ATOM 0 HA LEU A 49 13.283 17.487 -0.283 1.00 32.22 H new ATOM 0 HB2 LEU A 49 10.545 16.177 -0.288 1.00 35.21 H new ATOM 0 HB3 LEU A 49 11.957 15.576 0.559 1.00 35.21 H new ATOM 0 HG LEU A 49 10.511 18.176 1.127 1.00 31.12 H new ATOM 0 HD11 LEU A 49 9.900 17.058 3.236 1.00 32.45 H new ATOM 0 HD12 LEU A 49 9.274 16.182 1.819 1.00 32.45 H new ATOM 0 HD13 LEU A 49 10.710 15.576 2.677 1.00 32.45 H new ATOM 0 HD21 LEU A 49 11.984 18.335 3.094 1.00 41.52 H new ATOM 0 HD22 LEU A 49 12.871 16.895 2.541 1.00 41.52 H new ATOM 0 HD23 LEU A 49 12.905 18.387 1.572 1.00 41.52 H new ATOM 753 N PRO A 50 13.590 15.215 -1.730 1.00 53.53 N ATOM 754 CA PRO A 50 13.940 14.236 -2.767 1.00 23.32 C ATOM 755 C PRO A 50 13.015 12.986 -2.750 1.00 0.43 C ATOM 756 O PRO A 50 12.726 12.437 -1.683 1.00 64.23 O ATOM 757 CB PRO A 50 15.366 13.854 -2.386 1.00 2.42 C ATOM 758 CG PRO A 50 15.421 13.983 -0.888 1.00 0.24 C ATOM 759 CD PRO A 50 14.323 14.944 -0.473 1.00 54.43 C ATOM 0 HA PRO A 50 13.834 14.640 -3.774 1.00 23.32 H new ATOM 0 HB2 PRO A 50 15.600 12.838 -2.703 1.00 2.42 H new ATOM 0 HB3 PRO A 50 16.091 14.512 -2.865 1.00 2.42 H new ATOM 0 HG2 PRO A 50 15.280 13.012 -0.414 1.00 0.24 H new ATOM 0 HG3 PRO A 50 16.396 14.354 -0.571 1.00 0.24 H new ATOM 0 HD2 PRO A 50 13.672 14.504 0.282 1.00 54.43 H new ATOM 0 HD3 PRO A 50 14.734 15.859 -0.045 1.00 54.43 H new ATOM 767 N TYR A 51 12.560 12.560 -3.955 1.00 13.11 N ATOM 768 CA TYR A 51 11.635 11.381 -4.160 1.00 71.23 C ATOM 769 C TYR A 51 10.408 11.304 -3.171 1.00 42.41 C ATOM 770 O TYR A 51 10.104 10.241 -2.626 1.00 3.32 O ATOM 771 CB TYR A 51 12.412 10.023 -4.282 1.00 63.20 C ATOM 772 CG TYR A 51 13.386 9.711 -3.151 1.00 33.25 C ATOM 773 CD1 TYR A 51 12.978 9.037 -2.007 1.00 40.22 C ATOM 774 CD2 TYR A 51 14.720 10.103 -3.238 1.00 64.41 C ATOM 775 CE1 TYR A 51 13.868 8.765 -0.986 1.00 14.12 C ATOM 776 CE2 TYR A 51 15.612 9.836 -2.223 1.00 25.43 C ATOM 777 CZ TYR A 51 15.182 9.170 -1.100 1.00 21.41 C ATOM 778 OH TYR A 51 16.073 8.903 -0.088 1.00 62.24 O ATOM 0 H TYR A 51 12.818 13.019 -4.829 1.00 13.11 H new ATOM 0 HA TYR A 51 11.170 11.571 -5.127 1.00 71.23 H new ATOM 0 HB2 TYR A 51 11.684 9.214 -4.343 1.00 63.20 H new ATOM 0 HB3 TYR A 51 12.965 10.026 -5.222 1.00 63.20 H new ATOM 0 HD1 TYR A 51 11.949 8.721 -1.914 1.00 40.22 H new ATOM 0 HD2 TYR A 51 15.061 10.627 -4.119 1.00 64.41 H new ATOM 0 HE1 TYR A 51 13.537 8.238 -0.103 1.00 14.12 H new ATOM 0 HE2 TYR A 51 16.642 10.148 -2.309 1.00 25.43 H new ATOM 0 HH TYR A 51 16.956 9.255 -0.328 1.00 62.24 H new ATOM 788 N PRO A 52 9.679 12.435 -2.969 1.00 22.31 N ATOM 789 CA PRO A 52 8.571 12.544 -2.010 1.00 74.33 C ATOM 790 C PRO A 52 7.185 12.791 -2.650 1.00 45.31 C ATOM 791 O PRO A 52 7.103 13.259 -3.791 1.00 5.50 O ATOM 792 CB PRO A 52 8.972 13.867 -1.362 1.00 2.52 C ATOM 793 CG PRO A 52 9.845 14.589 -2.371 1.00 14.10 C ATOM 794 CD PRO A 52 9.899 13.722 -3.582 1.00 54.34 C ATOM 0 HA PRO A 52 8.457 11.645 -1.404 1.00 74.33 H new ATOM 0 HB2 PRO A 52 8.092 14.461 -1.114 1.00 2.52 H new ATOM 0 HB3 PRO A 52 9.514 13.696 -0.432 1.00 2.52 H new ATOM 0 HG2 PRO A 52 9.430 15.568 -2.613 1.00 14.10 H new ATOM 0 HG3 PRO A 52 10.844 14.757 -1.969 1.00 14.10 H new ATOM 0 HD2 PRO A 52 9.130 13.975 -4.312 1.00 54.34 H new ATOM 0 HD3 PRO A 52 10.858 13.782 -4.096 1.00 54.34 H new ATOM 802 N CYS A 53 6.053 12.464 -1.983 1.00 32.42 N ATOM 803 CA CYS A 53 5.823 11.632 -0.756 1.00 51.44 C ATOM 804 C CYS A 53 4.380 11.111 -0.914 1.00 65.14 C ATOM 805 O CYS A 53 3.654 11.637 -1.766 1.00 54.15 O ATOM 806 CB CYS A 53 5.877 12.434 0.600 1.00 13.32 C ATOM 807 SG CYS A 53 7.469 13.052 1.144 1.00 64.25 S ATOM 0 H CYS A 53 5.161 12.817 -2.329 1.00 32.42 H new ATOM 0 HA CYS A 53 6.604 10.874 -0.693 1.00 51.44 H new ATOM 0 HB2 CYS A 53 5.200 13.284 0.513 1.00 13.32 H new ATOM 0 HB3 CYS A 53 5.482 11.790 1.386 1.00 13.32 H new ATOM 0 HG CYS A 53 7.417 13.325 2.414 1.00 64.25 H new ATOM 813 N ILE A 54 3.939 10.123 -0.134 1.00 33.23 N ATOM 814 CA ILE A 54 2.528 9.717 -0.226 1.00 33.51 C ATOM 815 C ILE A 54 1.825 9.807 1.102 1.00 50.44 C ATOM 816 O ILE A 54 2.432 9.592 2.168 1.00 41.13 O ATOM 817 CB ILE A 54 2.251 8.306 -0.836 1.00 42.12 C ATOM 818 CG1 ILE A 54 2.899 7.169 -0.039 1.00 63.13 C ATOM 819 CG2 ILE A 54 2.633 8.251 -2.288 1.00 22.30 C ATOM 820 CD1 ILE A 54 2.485 5.779 -0.522 1.00 53.10 C ATOM 0 H ILE A 54 4.504 9.607 0.540 1.00 33.23 H new ATOM 0 HA ILE A 54 2.126 10.442 -0.934 1.00 33.51 H new ATOM 0 HB ILE A 54 1.175 8.149 -0.766 1.00 42.12 H new ATOM 0 HG12 ILE A 54 3.983 7.261 -0.105 1.00 63.13 H new ATOM 0 HG13 ILE A 54 2.633 7.275 1.013 1.00 63.13 H new ATOM 0 HG21 ILE A 54 2.427 7.255 -2.681 1.00 22.30 H new ATOM 0 HG22 ILE A 54 2.054 8.988 -2.845 1.00 22.30 H new ATOM 0 HG23 ILE A 54 3.696 8.470 -2.393 1.00 22.30 H new ATOM 0 HD11 ILE A 54 2.980 5.021 0.085 1.00 53.10 H new ATOM 0 HD12 ILE A 54 1.404 5.669 -0.431 1.00 53.10 H new ATOM 0 HD13 ILE A 54 2.775 5.655 -1.565 1.00 53.10 H new ATOM 832 N VAL A 55 0.552 10.156 1.027 1.00 23.43 N ATOM 833 CA VAL A 55 -0.335 10.258 2.175 1.00 64.32 C ATOM 834 C VAL A 55 -1.711 9.806 1.708 1.00 43.10 C ATOM 835 O VAL A 55 -2.039 9.948 0.519 1.00 2.32 O ATOM 836 CB VAL A 55 -0.472 11.737 2.695 1.00 63.13 C ATOM 837 CG1 VAL A 55 -1.309 11.802 3.956 1.00 34.42 C ATOM 838 CG2 VAL A 55 0.876 12.390 2.903 1.00 60.43 C ATOM 0 H VAL A 55 0.094 10.382 0.144 1.00 23.43 H new ATOM 0 HA VAL A 55 0.069 9.652 2.986 1.00 64.32 H new ATOM 0 HB VAL A 55 -0.989 12.301 1.919 1.00 63.13 H new ATOM 0 HG11 VAL A 55 -1.385 12.837 4.290 1.00 34.42 H new ATOM 0 HG12 VAL A 55 -2.306 11.413 3.751 1.00 34.42 H new ATOM 0 HG13 VAL A 55 -0.839 11.203 4.736 1.00 34.42 H new ATOM 0 HG21 VAL A 55 0.735 13.409 3.262 1.00 60.43 H new ATOM 0 HG22 VAL A 55 1.446 11.822 3.638 1.00 60.43 H new ATOM 0 HG23 VAL A 55 1.420 12.410 1.959 1.00 60.43 H new ATOM 848 N SER A 56 -2.492 9.247 2.592 1.00 30.13 N ATOM 849 CA SER A 56 -3.821 8.860 2.248 1.00 15.12 C ATOM 850 C SER A 56 -4.800 9.959 2.614 1.00 64.34 C ATOM 851 O SER A 56 -5.220 10.088 3.763 1.00 61.35 O ATOM 852 CB SER A 56 -4.202 7.514 2.875 1.00 15.13 C ATOM 853 OG SER A 56 -4.001 7.510 4.288 1.00 61.53 O ATOM 0 H SER A 56 -2.224 9.052 3.557 1.00 30.13 H new ATOM 0 HA SER A 56 -3.867 8.717 1.168 1.00 15.12 H new ATOM 0 HB2 SER A 56 -5.247 7.294 2.656 1.00 15.13 H new ATOM 0 HB3 SER A 56 -3.608 6.721 2.421 1.00 15.13 H new ATOM 0 HG SER A 56 -4.336 8.349 4.668 1.00 61.53 H new ATOM 859 N SER A 57 -5.088 10.782 1.663 1.00 32.23 N ATOM 860 CA SER A 57 -6.036 11.852 1.820 1.00 52.15 C ATOM 861 C SER A 57 -6.910 11.840 0.601 1.00 25.54 C ATOM 862 O SER A 57 -8.128 11.686 0.686 1.00 33.30 O ATOM 863 CB SER A 57 -5.297 13.182 1.950 1.00 64.44 C ATOM 864 OG SER A 57 -4.359 13.124 3.009 1.00 54.34 O ATOM 0 H SER A 57 -4.668 10.736 0.735 1.00 32.23 H new ATOM 0 HA SER A 57 -6.638 11.724 2.719 1.00 52.15 H new ATOM 0 HB2 SER A 57 -4.786 13.414 1.016 1.00 64.44 H new ATOM 0 HB3 SER A 57 -6.011 13.986 2.131 1.00 64.44 H new ATOM 0 HG SER A 57 -3.892 13.983 3.080 1.00 54.34 H new ATOM 870 N ASP A 58 -6.270 11.964 -0.537 1.00 21.32 N ATOM 871 CA ASP A 58 -6.934 11.854 -1.804 1.00 20.51 C ATOM 872 C ASP A 58 -7.075 10.377 -2.153 1.00 51.14 C ATOM 873 O ASP A 58 -6.147 9.597 -1.935 1.00 4.01 O ATOM 874 CB ASP A 58 -6.140 12.599 -2.874 1.00 63.21 C ATOM 875 CG ASP A 58 -6.716 12.428 -4.249 1.00 21.44 C ATOM 876 OD1 ASP A 58 -7.668 13.144 -4.606 1.00 64.54 O ATOM 877 OD2 ASP A 58 -6.208 11.582 -5.002 1.00 3.33 O ATOM 0 H ASP A 58 -5.269 12.145 -0.605 1.00 21.32 H new ATOM 0 HA ASP A 58 -7.925 12.304 -1.752 1.00 20.51 H new ATOM 0 HB2 ASP A 58 -6.112 13.660 -2.626 1.00 63.21 H new ATOM 0 HB3 ASP A 58 -5.110 12.243 -2.870 1.00 63.21 H new ATOM 882 N SER A 59 -8.215 10.006 -2.688 1.00 11.24 N ATOM 883 CA SER A 59 -8.546 8.609 -2.984 1.00 31.00 C ATOM 884 C SER A 59 -7.888 8.078 -4.283 1.00 61.22 C ATOM 885 O SER A 59 -8.286 7.022 -4.802 1.00 1.22 O ATOM 886 CB SER A 59 -10.062 8.470 -3.060 1.00 62.20 C ATOM 887 OG SER A 59 -10.664 8.923 -1.848 1.00 12.33 O ATOM 0 H SER A 59 -8.954 10.663 -2.937 1.00 11.24 H new ATOM 0 HA SER A 59 -8.141 7.998 -2.177 1.00 31.00 H new ATOM 0 HB2 SER A 59 -10.445 9.047 -3.902 1.00 62.20 H new ATOM 0 HB3 SER A 59 -10.330 7.429 -3.240 1.00 62.20 H new ATOM 0 HG SER A 59 -11.637 8.830 -1.911 1.00 12.33 H new ATOM 893 N GLY A 60 -6.896 8.795 -4.791 1.00 21.34 N ATOM 894 CA GLY A 60 -6.195 8.385 -5.991 1.00 64.33 C ATOM 895 C GLY A 60 -5.372 7.116 -5.809 1.00 42.15 C ATOM 896 O GLY A 60 -5.449 6.437 -4.776 1.00 14.22 O ATOM 0 H GLY A 60 -6.560 9.668 -4.385 1.00 21.34 H new ATOM 0 HA2 GLY A 60 -6.920 8.227 -6.790 1.00 64.33 H new ATOM 0 HA3 GLY A 60 -5.537 9.193 -6.312 1.00 64.33 H new ATOM 900 N LYS A 61 -4.594 6.788 -6.804 1.00 44.43 N ATOM 901 CA LYS A 61 -3.795 5.603 -6.757 1.00 42.04 C ATOM 902 C LYS A 61 -2.422 5.893 -7.347 1.00 15.14 C ATOM 903 O LYS A 61 -2.302 6.627 -8.328 1.00 30.41 O ATOM 904 CB LYS A 61 -4.529 4.453 -7.496 1.00 53.50 C ATOM 905 CG LYS A 61 -4.777 4.706 -8.974 1.00 63.35 C ATOM 906 CD LYS A 61 -5.797 3.733 -9.580 1.00 54.22 C ATOM 907 CE LYS A 61 -5.373 2.284 -9.504 1.00 74.13 C ATOM 908 NZ LYS A 61 -6.371 1.396 -10.126 1.00 65.42 N ATOM 0 H LYS A 61 -4.499 7.332 -7.662 1.00 44.43 H new ATOM 0 HA LYS A 61 -3.646 5.283 -5.726 1.00 42.04 H new ATOM 0 HB2 LYS A 61 -3.944 3.539 -7.391 1.00 53.50 H new ATOM 0 HB3 LYS A 61 -5.486 4.277 -7.006 1.00 53.50 H new ATOM 0 HG2 LYS A 61 -5.132 5.728 -9.109 1.00 63.35 H new ATOM 0 HG3 LYS A 61 -3.835 4.622 -9.516 1.00 63.35 H new ATOM 0 HD2 LYS A 61 -6.750 3.851 -9.064 1.00 54.22 H new ATOM 0 HD3 LYS A 61 -5.964 3.999 -10.624 1.00 54.22 H new ATOM 0 HE2 LYS A 61 -4.412 2.158 -10.002 1.00 74.13 H new ATOM 0 HE3 LYS A 61 -5.231 2.000 -8.461 1.00 74.13 H new ATOM 0 HZ1 LYS A 61 -6.049 0.410 -10.057 1.00 65.42 H new ATOM 0 HZ2 LYS A 61 -7.281 1.499 -9.634 1.00 65.42 H new ATOM 0 HZ3 LYS A 61 -6.488 1.652 -11.127 1.00 65.42 H new ATOM 922 N VAL A 62 -1.410 5.347 -6.731 1.00 12.22 N ATOM 923 CA VAL A 62 -0.026 5.543 -7.142 1.00 71.30 C ATOM 924 C VAL A 62 0.503 4.277 -7.744 1.00 13.24 C ATOM 925 O VAL A 62 0.462 3.241 -7.107 1.00 25.32 O ATOM 926 CB VAL A 62 0.868 5.869 -5.915 1.00 73.04 C ATOM 927 CG1 VAL A 62 2.330 6.046 -6.326 1.00 34.43 C ATOM 928 CG2 VAL A 62 0.368 7.095 -5.192 1.00 42.14 C ATOM 0 H VAL A 62 -1.513 4.742 -5.916 1.00 12.22 H new ATOM 0 HA VAL A 62 -0.003 6.365 -7.858 1.00 71.30 H new ATOM 0 HB VAL A 62 0.810 5.022 -5.231 1.00 73.04 H new ATOM 0 HG11 VAL A 62 2.931 6.273 -5.445 1.00 34.43 H new ATOM 0 HG12 VAL A 62 2.693 5.126 -6.785 1.00 34.43 H new ATOM 0 HG13 VAL A 62 2.410 6.865 -7.041 1.00 34.43 H new ATOM 0 HG21 VAL A 62 1.012 7.301 -4.337 1.00 42.14 H new ATOM 0 HG22 VAL A 62 0.381 7.948 -5.870 1.00 42.14 H new ATOM 0 HG23 VAL A 62 -0.651 6.923 -4.846 1.00 42.14 H new ATOM 938 N ASN A 63 0.989 4.333 -8.944 1.00 74.44 N ATOM 939 CA ASN A 63 1.584 3.155 -9.516 1.00 65.01 C ATOM 940 C ASN A 63 3.051 3.173 -9.166 1.00 21.53 C ATOM 941 O ASN A 63 3.654 4.238 -9.054 1.00 31.35 O ATOM 942 CB ASN A 63 1.383 3.081 -11.045 1.00 32.04 C ATOM 943 CG ASN A 63 2.220 4.070 -11.822 1.00 61.21 C ATOM 944 OD1 ASN A 63 1.825 5.211 -12.013 1.00 61.23 O ATOM 945 ND2 ASN A 63 3.337 3.616 -12.336 1.00 74.25 N ATOM 0 H ASN A 63 0.989 5.160 -9.540 1.00 74.44 H new ATOM 0 HA ASN A 63 1.099 2.269 -9.108 1.00 65.01 H new ATOM 0 HB2 ASN A 63 1.621 2.073 -11.384 1.00 32.04 H new ATOM 0 HB3 ASN A 63 0.331 3.253 -11.272 1.00 32.04 H new ATOM 0 HD21 ASN A 63 3.913 4.222 -12.920 1.00 74.25 H new ATOM 0 HD22 ASN A 63 3.630 2.657 -12.152 1.00 74.25 H new ATOM 952 N GLY A 64 3.591 2.037 -8.935 1.00 74.24 N ATOM 953 CA GLY A 64 4.973 1.918 -8.621 1.00 2.31 C ATOM 954 C GLY A 64 5.384 0.495 -8.672 1.00 63.00 C ATOM 955 O GLY A 64 4.797 -0.288 -9.416 1.00 5.34 O ATOM 0 H GLY A 64 3.086 1.151 -8.957 1.00 74.24 H new ATOM 0 HA2 GLY A 64 5.566 2.502 -9.325 1.00 2.31 H new ATOM 0 HA3 GLY A 64 5.165 2.325 -7.628 1.00 2.31 H new ATOM 959 N LYS A 65 6.356 0.120 -7.893 1.00 13.50 N ATOM 960 CA LYS A 65 6.796 -1.241 -7.916 1.00 35.44 C ATOM 961 C LYS A 65 6.984 -1.737 -6.526 1.00 51.42 C ATOM 962 O LYS A 65 7.379 -0.991 -5.630 1.00 14.35 O ATOM 963 CB LYS A 65 8.098 -1.440 -8.739 1.00 73.35 C ATOM 964 CG LYS A 65 8.021 -0.859 -10.163 1.00 34.32 C ATOM 965 CD LYS A 65 9.248 -1.173 -11.012 1.00 70.33 C ATOM 966 CE LYS A 65 9.339 -2.655 -11.334 1.00 14.24 C ATOM 967 NZ LYS A 65 10.488 -2.977 -12.208 1.00 50.43 N ATOM 0 H LYS A 65 6.853 0.729 -7.243 1.00 13.50 H new ATOM 0 HA LYS A 65 6.018 -1.821 -8.414 1.00 35.44 H new ATOM 0 HB2 LYS A 65 8.928 -0.973 -8.209 1.00 73.35 H new ATOM 0 HB3 LYS A 65 8.319 -2.505 -8.802 1.00 73.35 H new ATOM 0 HG2 LYS A 65 7.134 -1.252 -10.660 1.00 34.32 H new ATOM 0 HG3 LYS A 65 7.899 0.222 -10.100 1.00 34.32 H new ATOM 0 HD2 LYS A 65 9.207 -0.600 -11.939 1.00 70.33 H new ATOM 0 HD3 LYS A 65 10.148 -0.859 -10.483 1.00 70.33 H new ATOM 0 HE2 LYS A 65 9.423 -3.220 -10.406 1.00 14.24 H new ATOM 0 HE3 LYS A 65 8.417 -2.975 -11.819 1.00 14.24 H new ATOM 0 HZ1 LYS A 65 10.233 -3.761 -12.842 1.00 50.43 H new ATOM 0 HZ2 LYS A 65 10.739 -2.141 -12.774 1.00 50.43 H new ATOM 0 HZ3 LYS A 65 11.302 -3.256 -11.623 1.00 50.43 H new ATOM 981 N VAL A 66 6.695 -2.975 -6.336 1.00 21.14 N ATOM 982 CA VAL A 66 6.884 -3.585 -5.070 1.00 20.54 C ATOM 983 C VAL A 66 8.112 -4.442 -5.108 1.00 65.22 C ATOM 984 O VAL A 66 8.353 -5.171 -6.085 1.00 53.11 O ATOM 985 CB VAL A 66 5.650 -4.400 -4.565 1.00 23.44 C ATOM 986 CG1 VAL A 66 4.476 -3.487 -4.306 1.00 21.43 C ATOM 987 CG2 VAL A 66 5.253 -5.481 -5.552 1.00 43.23 C ATOM 0 H VAL A 66 6.320 -3.594 -7.055 1.00 21.14 H new ATOM 0 HA VAL A 66 7.009 -2.779 -4.347 1.00 20.54 H new ATOM 0 HB VAL A 66 5.941 -4.881 -3.631 1.00 23.44 H new ATOM 0 HG11 VAL A 66 3.628 -4.075 -3.955 1.00 21.43 H new ATOM 0 HG12 VAL A 66 4.747 -2.753 -3.547 1.00 21.43 H new ATOM 0 HG13 VAL A 66 4.204 -2.973 -5.228 1.00 21.43 H new ATOM 0 HG21 VAL A 66 4.392 -6.027 -5.167 1.00 43.23 H new ATOM 0 HG22 VAL A 66 4.996 -5.024 -6.508 1.00 43.23 H new ATOM 0 HG23 VAL A 66 6.086 -6.170 -5.692 1.00 43.23 H new ATOM 997 N ILE A 67 8.901 -4.313 -4.091 1.00 50.14 N ATOM 998 CA ILE A 67 10.111 -5.055 -3.965 1.00 32.22 C ATOM 999 C ILE A 67 9.695 -6.345 -3.318 1.00 43.24 C ATOM 1000 O ILE A 67 9.255 -6.356 -2.169 1.00 73.33 O ATOM 1001 CB ILE A 67 11.097 -4.339 -3.005 1.00 4.41 C ATOM 1002 CG1 ILE A 67 11.124 -2.841 -3.258 1.00 64.54 C ATOM 1003 CG2 ILE A 67 12.508 -4.889 -3.213 1.00 32.54 C ATOM 1004 CD1 ILE A 67 11.884 -2.089 -2.198 1.00 23.15 C ATOM 0 H ILE A 67 8.719 -3.679 -3.313 1.00 50.14 H new ATOM 0 HA ILE A 67 10.603 -5.179 -4.930 1.00 32.22 H new ATOM 0 HB ILE A 67 10.759 -4.521 -1.985 1.00 4.41 H new ATOM 0 HG12 ILE A 67 11.577 -2.649 -4.230 1.00 64.54 H new ATOM 0 HG13 ILE A 67 10.102 -2.465 -3.303 1.00 64.54 H new ATOM 0 HG21 ILE A 67 13.199 -4.384 -2.537 1.00 32.54 H new ATOM 0 HG22 ILE A 67 12.515 -5.959 -3.006 1.00 32.54 H new ATOM 0 HG23 ILE A 67 12.818 -4.716 -4.244 1.00 32.54 H new ATOM 0 HD11 ILE A 67 11.872 -1.024 -2.428 1.00 23.15 H new ATOM 0 HD12 ILE A 67 11.417 -2.256 -1.228 1.00 23.15 H new ATOM 0 HD13 ILE A 67 12.915 -2.442 -2.170 1.00 23.15 H new ATOM 1016 N THR A 68 9.763 -7.395 -4.061 1.00 73.14 N ATOM 1017 CA THR A 68 9.287 -8.663 -3.608 1.00 63.15 C ATOM 1018 C THR A 68 10.423 -9.518 -3.084 1.00 62.24 C ATOM 1019 O THR A 68 11.596 -9.242 -3.366 1.00 52.02 O ATOM 1020 CB THR A 68 8.554 -9.408 -4.748 1.00 11.03 C ATOM 1021 OG1 THR A 68 9.439 -9.599 -5.869 1.00 41.43 O ATOM 1022 CG2 THR A 68 7.344 -8.622 -5.217 1.00 65.50 C ATOM 0 H THR A 68 10.151 -7.402 -5.004 1.00 73.14 H new ATOM 0 HA THR A 68 8.586 -8.481 -2.793 1.00 63.15 H new ATOM 0 HB THR A 68 8.231 -10.373 -4.358 1.00 11.03 H new ATOM 0 HG1 THR A 68 9.783 -8.731 -6.166 1.00 41.43 H new ATOM 0 HG21 THR A 68 6.845 -9.166 -6.019 1.00 65.50 H new ATOM 0 HG22 THR A 68 6.653 -8.487 -4.385 1.00 65.50 H new ATOM 0 HG23 THR A 68 7.664 -7.647 -5.584 1.00 65.50 H new ATOM 1030 N GLY A 69 10.076 -10.534 -2.317 1.00 54.55 N ATOM 1031 CA GLY A 69 11.057 -11.451 -1.807 1.00 23.15 C ATOM 1032 C GLY A 69 11.948 -10.833 -0.760 1.00 23.45 C ATOM 1033 O GLY A 69 13.133 -11.150 -0.685 1.00 34.13 O ATOM 0 H GLY A 69 9.117 -10.739 -2.037 1.00 54.55 H new ATOM 0 HA2 GLY A 69 10.551 -12.317 -1.381 1.00 23.15 H new ATOM 0 HA3 GLY A 69 11.671 -11.814 -2.631 1.00 23.15 H new ATOM 1037 N VAL A 70 11.398 -9.944 0.033 1.00 33.11 N ATOM 1038 CA VAL A 70 12.166 -9.323 1.080 1.00 22.13 C ATOM 1039 C VAL A 70 12.009 -10.108 2.374 1.00 31.11 C ATOM 1040 O VAL A 70 10.904 -10.275 2.868 1.00 5.14 O ATOM 1041 CB VAL A 70 11.699 -7.864 1.309 1.00 12.34 C ATOM 1042 CG1 VAL A 70 12.521 -7.207 2.384 1.00 33.44 C ATOM 1043 CG2 VAL A 70 11.774 -7.063 0.017 1.00 54.22 C ATOM 0 H VAL A 70 10.427 -9.637 -0.028 1.00 33.11 H new ATOM 0 HA VAL A 70 13.213 -9.317 0.778 1.00 22.13 H new ATOM 0 HB VAL A 70 10.659 -7.888 1.636 1.00 12.34 H new ATOM 0 HG11 VAL A 70 12.177 -6.183 2.530 1.00 33.44 H new ATOM 0 HG12 VAL A 70 12.412 -7.762 3.316 1.00 33.44 H new ATOM 0 HG13 VAL A 70 13.570 -7.199 2.086 1.00 33.44 H new ATOM 0 HG21 VAL A 70 11.441 -6.042 0.202 1.00 54.22 H new ATOM 0 HG22 VAL A 70 12.803 -7.050 -0.344 1.00 54.22 H new ATOM 0 HG23 VAL A 70 11.132 -7.523 -0.734 1.00 54.22 H new ATOM 1053 N SER A 71 13.086 -10.577 2.930 1.00 23.54 N ATOM 1054 CA SER A 71 12.996 -11.284 4.176 1.00 53.53 C ATOM 1055 C SER A 71 12.927 -10.279 5.296 1.00 32.21 C ATOM 1056 O SER A 71 13.302 -9.126 5.110 1.00 3.45 O ATOM 1057 CB SER A 71 14.150 -12.252 4.322 1.00 23.54 C ATOM 1058 OG SER A 71 14.172 -13.164 3.225 1.00 70.42 O ATOM 0 H SER A 71 14.027 -10.486 2.548 1.00 23.54 H new ATOM 0 HA SER A 71 12.090 -11.889 4.209 1.00 53.53 H new ATOM 0 HB2 SER A 71 15.091 -11.703 4.367 1.00 23.54 H new ATOM 0 HB3 SER A 71 14.057 -12.801 5.259 1.00 23.54 H new ATOM 0 HG SER A 71 14.924 -13.784 3.330 1.00 70.42 H new ATOM 1064 N ASP A 72 12.417 -10.693 6.437 1.00 41.25 N ATOM 1065 CA ASP A 72 12.179 -9.765 7.571 1.00 32.34 C ATOM 1066 C ASP A 72 13.408 -8.939 7.962 1.00 4.22 C ATOM 1067 O ASP A 72 13.295 -7.741 8.214 1.00 22.01 O ATOM 1068 CB ASP A 72 11.626 -10.483 8.799 1.00 65.22 C ATOM 1069 CG ASP A 72 11.308 -9.506 9.920 1.00 54.22 C ATOM 1070 OD1 ASP A 72 10.227 -8.880 9.877 1.00 62.04 O ATOM 1071 OD2 ASP A 72 12.134 -9.333 10.837 1.00 73.14 O ATOM 0 H ASP A 72 12.153 -11.660 6.623 1.00 41.25 H new ATOM 0 HA ASP A 72 11.427 -9.068 7.200 1.00 32.34 H new ATOM 0 HB2 ASP A 72 10.724 -11.031 8.526 1.00 65.22 H new ATOM 0 HB3 ASP A 72 12.351 -11.217 9.150 1.00 65.22 H new ATOM 1076 N ALA A 73 14.574 -9.550 7.955 1.00 35.40 N ATOM 1077 CA ALA A 73 15.789 -8.822 8.374 1.00 71.32 C ATOM 1078 C ALA A 73 16.210 -7.835 7.314 1.00 73.11 C ATOM 1079 O ALA A 73 16.739 -6.764 7.604 1.00 61.25 O ATOM 1080 CB ALA A 73 16.921 -9.761 8.689 1.00 32.14 C ATOM 0 H ALA A 73 14.722 -10.520 7.675 1.00 35.40 H new ATOM 0 HA ALA A 73 15.543 -8.279 9.286 1.00 71.32 H new ATOM 0 HB1 ALA A 73 17.796 -9.187 8.993 1.00 32.14 H new ATOM 0 HB2 ALA A 73 16.626 -10.428 9.499 1.00 32.14 H new ATOM 0 HB3 ALA A 73 17.163 -10.349 7.804 1.00 32.14 H new ATOM 1086 N GLU A 74 15.963 -8.199 6.099 1.00 32.14 N ATOM 1087 CA GLU A 74 16.259 -7.374 4.961 1.00 61.13 C ATOM 1088 C GLU A 74 15.268 -6.218 4.875 1.00 33.55 C ATOM 1089 O GLU A 74 15.613 -5.117 4.443 1.00 1.22 O ATOM 1090 CB GLU A 74 16.232 -8.223 3.682 1.00 42.33 C ATOM 1091 CG GLU A 74 17.404 -9.218 3.520 1.00 41.10 C ATOM 1092 CD GLU A 74 17.587 -10.171 4.690 1.00 62.44 C ATOM 1093 OE1 GLU A 74 16.743 -11.038 4.898 1.00 73.24 O ATOM 1094 OE2 GLU A 74 18.580 -10.034 5.422 1.00 61.14 O ATOM 0 H GLU A 74 15.541 -9.096 5.858 1.00 32.14 H new ATOM 0 HA GLU A 74 17.258 -6.952 5.072 1.00 61.13 H new ATOM 0 HB2 GLU A 74 15.297 -8.783 3.658 1.00 42.33 H new ATOM 0 HB3 GLU A 74 16.225 -7.553 2.822 1.00 42.33 H new ATOM 0 HG2 GLU A 74 17.246 -9.802 2.613 1.00 41.10 H new ATOM 0 HG3 GLU A 74 18.326 -8.654 3.379 1.00 41.10 H new ATOM 1101 N LEU A 75 14.044 -6.472 5.333 1.00 2.31 N ATOM 1102 CA LEU A 75 12.980 -5.477 5.332 1.00 62.02 C ATOM 1103 C LEU A 75 13.385 -4.365 6.303 1.00 61.22 C ATOM 1104 O LEU A 75 13.161 -3.174 6.059 1.00 12.53 O ATOM 1105 CB LEU A 75 11.641 -6.151 5.777 1.00 0.12 C ATOM 1106 CG LEU A 75 10.286 -5.418 5.492 1.00 42.41 C ATOM 1107 CD1 LEU A 75 9.129 -6.238 6.016 1.00 73.31 C ATOM 1108 CD2 LEU A 75 10.222 -4.033 6.090 1.00 14.05 C ATOM 0 H LEU A 75 13.764 -7.375 5.715 1.00 2.31 H new ATOM 0 HA LEU A 75 12.830 -5.058 4.337 1.00 62.02 H new ATOM 0 HB2 LEU A 75 11.592 -7.130 5.300 1.00 0.12 H new ATOM 0 HB3 LEU A 75 11.701 -6.323 6.852 1.00 0.12 H new ATOM 0 HG LEU A 75 10.219 -5.309 4.410 1.00 42.41 H new ATOM 0 HD11 LEU A 75 8.193 -5.718 5.812 1.00 73.31 H new ATOM 0 HD12 LEU A 75 9.119 -7.210 5.523 1.00 73.31 H new ATOM 0 HD13 LEU A 75 9.240 -6.378 7.091 1.00 73.31 H new ATOM 0 HD21 LEU A 75 9.258 -3.580 5.856 1.00 14.05 H new ATOM 0 HD22 LEU A 75 10.340 -4.098 7.172 1.00 14.05 H new ATOM 0 HD23 LEU A 75 11.022 -3.420 5.674 1.00 14.05 H new ATOM 1120 N ASN A 76 14.025 -4.785 7.376 1.00 23.12 N ATOM 1121 CA ASN A 76 14.501 -3.909 8.436 1.00 0.15 C ATOM 1122 C ASN A 76 15.420 -2.805 7.897 1.00 71.41 C ATOM 1123 O ASN A 76 15.469 -1.719 8.455 1.00 54.41 O ATOM 1124 CB ASN A 76 15.257 -4.726 9.494 1.00 74.34 C ATOM 1125 CG ASN A 76 15.724 -3.907 10.696 1.00 73.02 C ATOM 1126 OD1 ASN A 76 16.790 -4.173 11.263 1.00 55.12 O ATOM 1127 ND2 ASN A 76 14.920 -2.965 11.137 1.00 24.50 N ATOM 0 H ASN A 76 14.235 -5.769 7.542 1.00 23.12 H new ATOM 0 HA ASN A 76 13.627 -3.435 8.883 1.00 0.15 H new ATOM 0 HB2 ASN A 76 14.612 -5.532 9.845 1.00 74.34 H new ATOM 0 HB3 ASN A 76 16.124 -5.193 9.026 1.00 74.34 H new ATOM 0 HD21 ASN A 76 15.169 -2.430 11.969 1.00 24.50 H new ATOM 0 HD22 ASN A 76 14.047 -2.769 10.647 1.00 24.50 H new ATOM 1134 N ASN A 77 16.114 -3.063 6.793 1.00 3.23 N ATOM 1135 CA ASN A 77 17.062 -2.085 6.300 1.00 10.43 C ATOM 1136 C ASN A 77 16.314 -0.925 5.633 1.00 43.42 C ATOM 1137 O ASN A 77 16.755 0.225 5.678 1.00 40.23 O ATOM 1138 CB ASN A 77 18.108 -2.724 5.376 1.00 64.14 C ATOM 1139 CG ASN A 77 19.253 -1.773 5.044 1.00 53.42 C ATOM 1140 OD1 ASN A 77 19.582 -0.881 5.823 1.00 13.44 O ATOM 1141 ND2 ASN A 77 19.896 -1.987 3.926 1.00 44.22 N ATOM 0 H ASN A 77 16.039 -3.917 6.240 1.00 3.23 H new ATOM 0 HA ASN A 77 17.620 -1.680 7.144 1.00 10.43 H new ATOM 0 HB2 ASN A 77 18.510 -3.619 5.851 1.00 64.14 H new ATOM 0 HB3 ASN A 77 17.625 -3.043 4.452 1.00 64.14 H new ATOM 0 HD21 ASN A 77 20.696 -1.405 3.679 1.00 44.22 H new ATOM 0 HD22 ASN A 77 19.597 -2.736 3.301 1.00 44.22 H new ATOM 1148 N PHE A 78 15.145 -1.238 5.054 1.00 64.32 N ATOM 1149 CA PHE A 78 14.288 -0.222 4.429 1.00 44.22 C ATOM 1150 C PHE A 78 13.764 0.736 5.491 1.00 0.12 C ATOM 1151 O PHE A 78 13.609 1.933 5.255 1.00 34.03 O ATOM 1152 CB PHE A 78 13.096 -0.859 3.689 1.00 52.21 C ATOM 1153 CG PHE A 78 13.468 -1.767 2.553 1.00 61.35 C ATOM 1154 CD1 PHE A 78 14.101 -1.273 1.434 1.00 40.14 C ATOM 1155 CD2 PHE A 78 13.176 -3.107 2.604 1.00 15.20 C ATOM 1156 CE1 PHE A 78 14.440 -2.105 0.390 1.00 22.22 C ATOM 1157 CE2 PHE A 78 13.511 -3.945 1.559 1.00 44.43 C ATOM 1158 CZ PHE A 78 14.145 -3.439 0.451 1.00 25.33 C ATOM 0 H PHE A 78 14.773 -2.186 5.006 1.00 64.32 H new ATOM 0 HA PHE A 78 14.893 0.318 3.701 1.00 44.22 H new ATOM 0 HB2 PHE A 78 12.502 -1.424 4.407 1.00 52.21 H new ATOM 0 HB3 PHE A 78 12.459 -0.063 3.305 1.00 52.21 H new ATOM 0 HD1 PHE A 78 14.334 -0.220 1.374 1.00 40.14 H new ATOM 0 HD2 PHE A 78 12.678 -3.511 3.473 1.00 15.20 H new ATOM 0 HE1 PHE A 78 14.940 -1.703 -0.479 1.00 22.22 H new ATOM 0 HE2 PHE A 78 13.275 -4.997 1.613 1.00 44.43 H new ATOM 0 HZ PHE A 78 14.409 -4.091 -0.368 1.00 25.33 H new ATOM 1168 N ASP A 79 13.526 0.183 6.670 1.00 64.35 N ATOM 1169 CA ASP A 79 13.017 0.933 7.826 1.00 64.33 C ATOM 1170 C ASP A 79 14.014 2.006 8.248 1.00 2.34 C ATOM 1171 O ASP A 79 13.634 3.125 8.614 1.00 33.25 O ATOM 1172 CB ASP A 79 12.779 -0.040 9.001 1.00 41.01 C ATOM 1173 CG ASP A 79 12.227 0.622 10.258 1.00 35.53 C ATOM 1174 OD1 ASP A 79 13.017 1.122 11.092 1.00 23.10 O ATOM 1175 OD2 ASP A 79 10.994 0.620 10.437 1.00 51.45 O ATOM 0 H ASP A 79 13.679 -0.807 6.861 1.00 64.35 H new ATOM 0 HA ASP A 79 12.080 1.416 7.548 1.00 64.33 H new ATOM 0 HB2 ASP A 79 12.086 -0.818 8.679 1.00 41.01 H new ATOM 0 HB3 ASP A 79 13.720 -0.533 9.247 1.00 41.01 H new ATOM 1180 N VAL A 80 15.286 1.661 8.175 1.00 75.10 N ATOM 1181 CA VAL A 80 16.353 2.549 8.592 1.00 45.31 C ATOM 1182 C VAL A 80 16.573 3.675 7.571 1.00 44.23 C ATOM 1183 O VAL A 80 16.729 4.847 7.948 1.00 54.25 O ATOM 1184 CB VAL A 80 17.682 1.768 8.794 1.00 41.13 C ATOM 1185 CG1 VAL A 80 18.769 2.667 9.361 1.00 72.33 C ATOM 1186 CG2 VAL A 80 17.470 0.556 9.685 1.00 51.34 C ATOM 0 H VAL A 80 15.607 0.758 7.825 1.00 75.10 H new ATOM 0 HA VAL A 80 16.051 2.990 9.542 1.00 45.31 H new ATOM 0 HB VAL A 80 18.012 1.419 7.815 1.00 41.13 H new ATOM 0 HG11 VAL A 80 19.686 2.092 9.491 1.00 72.33 H new ATOM 0 HG12 VAL A 80 18.953 3.493 8.674 1.00 72.33 H new ATOM 0 HG13 VAL A 80 18.449 3.062 10.325 1.00 72.33 H new ATOM 0 HG21 VAL A 80 18.415 0.027 9.811 1.00 51.34 H new ATOM 0 HG22 VAL A 80 17.103 0.880 10.659 1.00 51.34 H new ATOM 0 HG23 VAL A 80 16.740 -0.110 9.226 1.00 51.34 H new ATOM 1196 N ILE A 81 16.570 3.324 6.289 1.00 44.51 N ATOM 1197 CA ILE A 81 16.833 4.296 5.226 1.00 0.41 C ATOM 1198 C ILE A 81 15.731 5.354 5.066 1.00 54.20 C ATOM 1199 O ILE A 81 15.971 6.547 5.302 1.00 22.40 O ATOM 1200 CB ILE A 81 17.233 3.638 3.868 1.00 32.30 C ATOM 1201 CG1 ILE A 81 16.229 2.554 3.444 1.00 31.14 C ATOM 1202 CG2 ILE A 81 18.642 3.077 3.952 1.00 35.13 C ATOM 1203 CD1 ILE A 81 16.577 1.853 2.142 1.00 44.42 C ATOM 0 H ILE A 81 16.389 2.376 5.958 1.00 44.51 H new ATOM 0 HA ILE A 81 17.713 4.841 5.567 1.00 0.41 H new ATOM 0 HB ILE A 81 17.211 4.411 3.100 1.00 32.30 H new ATOM 0 HG12 ILE A 81 16.160 1.809 4.237 1.00 31.14 H new ATOM 0 HG13 ILE A 81 15.243 3.007 3.346 1.00 31.14 H new ATOM 0 HG21 ILE A 81 18.909 2.621 2.999 1.00 35.13 H new ATOM 0 HG22 ILE A 81 19.341 3.882 4.178 1.00 35.13 H new ATOM 0 HG23 ILE A 81 18.688 2.325 4.740 1.00 35.13 H new ATOM 0 HD11 ILE A 81 15.817 1.104 1.918 1.00 44.42 H new ATOM 0 HD12 ILE A 81 16.616 2.584 1.334 1.00 44.42 H new ATOM 0 HD13 ILE A 81 17.548 1.367 2.239 1.00 44.42 H new ATOM 1215 N GLU A 82 14.540 4.952 4.698 1.00 11.04 N ATOM 1216 CA GLU A 82 13.470 5.908 4.556 1.00 15.42 C ATOM 1217 C GLU A 82 12.528 5.841 5.732 1.00 62.41 C ATOM 1218 O GLU A 82 11.408 5.351 5.632 1.00 2.02 O ATOM 1219 CB GLU A 82 12.712 5.822 3.211 1.00 73.40 C ATOM 1220 CG GLU A 82 13.472 6.315 1.968 1.00 62.43 C ATOM 1221 CD GLU A 82 14.748 5.564 1.665 1.00 3.45 C ATOM 1222 OE1 GLU A 82 14.682 4.484 1.055 1.00 52.51 O ATOM 1223 OE2 GLU A 82 15.846 6.078 2.002 1.00 33.35 O ATOM 0 H GLU A 82 14.289 3.985 4.494 1.00 11.04 H new ATOM 0 HA GLU A 82 13.948 6.887 4.545 1.00 15.42 H new ATOM 0 HB2 GLU A 82 12.424 4.784 3.046 1.00 73.40 H new ATOM 0 HB3 GLU A 82 11.791 6.398 3.300 1.00 73.40 H new ATOM 0 HG2 GLU A 82 12.811 6.244 1.104 1.00 62.43 H new ATOM 0 HG3 GLU A 82 13.711 7.370 2.101 1.00 62.43 H new ATOM 1230 N GLY A 83 13.022 6.275 6.863 1.00 64.12 N ATOM 1231 CA GLY A 83 12.221 6.283 8.054 1.00 2.45 C ATOM 1232 C GLY A 83 12.508 7.482 8.910 1.00 22.53 C ATOM 1233 O GLY A 83 12.139 7.529 10.087 1.00 64.20 O ATOM 0 H GLY A 83 13.972 6.626 6.982 1.00 64.12 H new ATOM 0 HA2 GLY A 83 11.165 6.275 7.782 1.00 2.45 H new ATOM 0 HA3 GLY A 83 12.410 5.374 8.626 1.00 2.45 H new ATOM 1237 N ASN A 84 13.165 8.458 8.329 1.00 63.31 N ATOM 1238 CA ASN A 84 13.530 9.657 9.064 1.00 73.04 C ATOM 1239 C ASN A 84 12.387 10.648 9.130 1.00 32.10 C ATOM 1240 O ASN A 84 12.132 11.228 10.171 1.00 53.44 O ATOM 1241 CB ASN A 84 14.811 10.282 8.510 1.00 13.51 C ATOM 1242 CG ASN A 84 16.009 9.376 8.701 1.00 33.32 C ATOM 1243 OD1 ASN A 84 16.314 8.547 7.848 1.00 42.30 O ATOM 1244 ND2 ASN A 84 16.691 9.522 9.810 1.00 11.30 N ATOM 0 H ASN A 84 13.459 8.451 7.352 1.00 63.31 H new ATOM 0 HA ASN A 84 13.740 9.360 10.092 1.00 73.04 H new ATOM 0 HB2 ASN A 84 14.682 10.494 7.449 1.00 13.51 H new ATOM 0 HB3 ASN A 84 14.994 11.235 9.006 1.00 13.51 H new ATOM 0 HD21 ASN A 84 17.506 8.936 9.988 1.00 11.30 H new ATOM 0 HD22 ASN A 84 16.407 10.222 10.495 1.00 11.30 H new ATOM 1251 N ASP A 85 11.689 10.835 8.025 1.00 42.14 N ATOM 1252 CA ASP A 85 10.512 11.690 8.004 1.00 22.11 C ATOM 1253 C ASP A 85 9.398 10.911 7.379 1.00 4.04 C ATOM 1254 O ASP A 85 8.351 11.438 7.018 1.00 44.42 O ATOM 1255 CB ASP A 85 10.756 12.965 7.200 1.00 30.34 C ATOM 1256 CG ASP A 85 11.861 13.844 7.725 1.00 11.04 C ATOM 1257 OD1 ASP A 85 13.046 13.591 7.396 1.00 34.22 O ATOM 1258 OD2 ASP A 85 11.567 14.823 8.441 1.00 2.23 O ATOM 0 H ASP A 85 11.916 10.406 7.128 1.00 42.14 H new ATOM 0 HA ASP A 85 10.266 11.989 9.023 1.00 22.11 H new ATOM 0 HB2 ASP A 85 10.988 12.690 6.171 1.00 30.34 H new ATOM 0 HB3 ASP A 85 9.832 13.543 7.174 1.00 30.34 H new ATOM 1263 N TYR A 86 9.619 9.649 7.277 1.00 2.13 N ATOM 1264 CA TYR A 86 8.666 8.752 6.721 1.00 54.44 C ATOM 1265 C TYR A 86 8.482 7.633 7.707 1.00 74.41 C ATOM 1266 O TYR A 86 9.361 7.394 8.545 1.00 53.30 O ATOM 1267 CB TYR A 86 9.178 8.151 5.401 1.00 64.14 C ATOM 1268 CG TYR A 86 9.516 9.119 4.299 1.00 13.52 C ATOM 1269 CD1 TYR A 86 10.747 9.758 4.274 1.00 63.01 C ATOM 1270 CD2 TYR A 86 8.620 9.380 3.278 1.00 51.13 C ATOM 1271 CE1 TYR A 86 11.077 10.630 3.267 1.00 5.33 C ATOM 1272 CE2 TYR A 86 8.946 10.251 2.259 1.00 2.52 C ATOM 1273 CZ TYR A 86 10.177 10.874 2.262 1.00 74.31 C ATOM 1274 OH TYR A 86 10.508 11.747 1.252 1.00 1.24 O ATOM 0 H TYR A 86 10.483 9.201 7.583 1.00 2.13 H new ATOM 0 HA TYR A 86 7.736 9.285 6.522 1.00 54.44 H new ATOM 0 HB2 TYR A 86 10.068 7.561 5.619 1.00 64.14 H new ATOM 0 HB3 TYR A 86 8.422 7.461 5.027 1.00 64.14 H new ATOM 0 HD1 TYR A 86 11.460 9.565 5.062 1.00 63.01 H new ATOM 0 HD2 TYR A 86 7.654 8.896 3.279 1.00 51.13 H new ATOM 0 HE1 TYR A 86 12.039 11.121 3.266 1.00 5.33 H new ATOM 0 HE2 TYR A 86 8.242 10.444 1.463 1.00 2.52 H new ATOM 0 HH TYR A 86 9.739 12.320 1.050 1.00 1.24 H new ATOM 1284 N GLU A 87 7.379 6.972 7.642 1.00 33.01 N ATOM 1285 CA GLU A 87 7.167 5.820 8.466 1.00 54.43 C ATOM 1286 C GLU A 87 6.702 4.668 7.602 1.00 11.52 C ATOM 1287 O GLU A 87 6.021 4.883 6.580 1.00 1.12 O ATOM 1288 CB GLU A 87 6.189 6.102 9.619 1.00 21.13 C ATOM 1289 CG GLU A 87 4.786 6.488 9.190 1.00 41.44 C ATOM 1290 CD GLU A 87 3.849 6.658 10.366 1.00 12.00 C ATOM 1291 OE1 GLU A 87 3.266 5.664 10.825 1.00 24.52 O ATOM 1292 OE2 GLU A 87 3.649 7.790 10.827 1.00 15.22 O ATOM 0 H GLU A 87 6.602 7.206 7.025 1.00 33.01 H new ATOM 0 HA GLU A 87 8.112 5.551 8.937 1.00 54.43 H new ATOM 0 HB2 GLU A 87 6.129 5.215 10.249 1.00 21.13 H new ATOM 0 HB3 GLU A 87 6.598 6.903 10.234 1.00 21.13 H new ATOM 0 HG2 GLU A 87 4.825 7.418 8.623 1.00 41.44 H new ATOM 0 HG3 GLU A 87 4.390 5.724 8.521 1.00 41.44 H new ATOM 1299 N ARG A 88 7.087 3.468 7.970 1.00 71.23 N ATOM 1300 CA ARG A 88 6.717 2.311 7.218 1.00 15.45 C ATOM 1301 C ARG A 88 5.350 1.861 7.633 1.00 43.34 C ATOM 1302 O ARG A 88 5.140 1.491 8.795 1.00 70.13 O ATOM 1303 CB ARG A 88 7.664 1.177 7.456 1.00 21.21 C ATOM 1304 CG ARG A 88 7.468 0.079 6.438 1.00 20.41 C ATOM 1305 CD ARG A 88 8.286 -1.108 6.760 1.00 23.34 C ATOM 1306 NE ARG A 88 7.719 -1.882 7.880 1.00 13.42 N ATOM 1307 CZ ARG A 88 8.411 -2.398 8.914 1.00 63.25 C ATOM 1308 NH1 ARG A 88 9.711 -2.143 9.048 1.00 22.25 N ATOM 1309 NH2 ARG A 88 7.794 -3.153 9.812 1.00 1.10 N ATOM 0 H ARG A 88 7.660 3.276 8.792 1.00 71.23 H new ATOM 0 HA ARG A 88 6.740 2.583 6.163 1.00 15.45 H new ATOM 0 HB2 ARG A 88 8.690 1.541 7.409 1.00 21.21 H new ATOM 0 HB3 ARG A 88 7.513 0.778 8.459 1.00 21.21 H new ATOM 0 HG2 ARG A 88 6.415 -0.202 6.402 1.00 20.41 H new ATOM 0 HG3 ARG A 88 7.734 0.448 5.447 1.00 20.41 H new ATOM 0 HD2 ARG A 88 8.361 -1.746 5.880 1.00 23.34 H new ATOM 0 HD3 ARG A 88 9.298 -0.793 7.013 1.00 23.34 H new ATOM 0 HE ARG A 88 6.712 -2.041 7.871 1.00 13.42 H new ATOM 0 HH11 ARG A 88 10.188 -1.554 8.366 1.00 22.25 H new ATOM 0 HH12 ARG A 88 10.230 -2.537 9.833 1.00 22.25 H new ATOM 0 HH21 ARG A 88 6.796 -3.343 9.720 1.00 1.10 H new ATOM 0 HH22 ARG A 88 8.317 -3.544 10.595 1.00 1.10 H new ATOM 1323 N VAL A 89 4.435 1.894 6.729 1.00 1.24 N ATOM 1324 CA VAL A 89 3.098 1.449 7.009 1.00 13.31 C ATOM 1325 C VAL A 89 2.687 0.369 6.068 1.00 1.43 C ATOM 1326 O VAL A 89 3.278 0.205 4.994 1.00 14.03 O ATOM 1327 CB VAL A 89 2.048 2.570 6.968 1.00 32.33 C ATOM 1328 CG1 VAL A 89 2.270 3.582 8.079 1.00 22.03 C ATOM 1329 CG2 VAL A 89 2.058 3.252 5.629 1.00 55.32 C ATOM 0 H VAL A 89 4.582 2.227 5.776 1.00 1.24 H new ATOM 0 HA VAL A 89 3.132 1.072 8.031 1.00 13.31 H new ATOM 0 HB VAL A 89 1.070 2.114 7.124 1.00 32.33 H new ATOM 0 HG11 VAL A 89 1.509 4.360 8.019 1.00 22.03 H new ATOM 0 HG12 VAL A 89 2.203 3.082 9.045 1.00 22.03 H new ATOM 0 HG13 VAL A 89 3.257 4.031 7.971 1.00 22.03 H new ATOM 0 HG21 VAL A 89 1.308 4.043 5.618 1.00 55.32 H new ATOM 0 HG22 VAL A 89 3.043 3.683 5.447 1.00 55.32 H new ATOM 0 HG23 VAL A 89 1.830 2.525 4.849 1.00 55.32 H new ATOM 1339 N THR A 90 1.705 -0.364 6.466 1.00 43.32 N ATOM 1340 CA THR A 90 1.167 -1.393 5.657 1.00 31.41 C ATOM 1341 C THR A 90 0.012 -0.796 4.814 1.00 63.24 C ATOM 1342 O THR A 90 -0.873 -0.105 5.347 1.00 24.45 O ATOM 1343 CB THR A 90 0.625 -2.519 6.552 1.00 62.32 C ATOM 1344 OG1 THR A 90 1.647 -2.904 7.490 1.00 52.31 O ATOM 1345 CG2 THR A 90 0.250 -3.724 5.719 1.00 11.31 C ATOM 0 H THR A 90 1.250 -0.262 7.373 1.00 43.32 H new ATOM 0 HA THR A 90 1.937 -1.801 5.002 1.00 31.41 H new ATOM 0 HB THR A 90 -0.260 -2.158 7.076 1.00 62.32 H new ATOM 0 HG1 THR A 90 2.308 -3.470 7.039 1.00 52.31 H new ATOM 0 HG21 THR A 90 -0.132 -4.511 6.369 1.00 11.31 H new ATOM 0 HG22 THR A 90 -0.519 -3.444 4.999 1.00 11.31 H new ATOM 0 HG23 THR A 90 1.130 -4.087 5.188 1.00 11.31 H new ATOM 1353 N VAL A 91 0.050 -1.038 3.532 1.00 34.51 N ATOM 1354 CA VAL A 91 -0.931 -0.533 2.574 1.00 14.11 C ATOM 1355 C VAL A 91 -1.297 -1.680 1.645 1.00 23.32 C ATOM 1356 O VAL A 91 -0.630 -2.705 1.669 1.00 24.32 O ATOM 1357 CB VAL A 91 -0.332 0.652 1.755 1.00 3.35 C ATOM 1358 CG1 VAL A 91 0.034 1.793 2.683 1.00 63.03 C ATOM 1359 CG2 VAL A 91 0.894 0.184 0.978 1.00 35.23 C ATOM 0 H VAL A 91 0.779 -1.606 3.100 1.00 34.51 H new ATOM 0 HA VAL A 91 -1.815 -0.164 3.095 1.00 14.11 H new ATOM 0 HB VAL A 91 -1.080 1.006 1.045 1.00 3.35 H new ATOM 0 HG11 VAL A 91 0.451 2.615 2.102 1.00 63.03 H new ATOM 0 HG12 VAL A 91 -0.858 2.136 3.208 1.00 63.03 H new ATOM 0 HG13 VAL A 91 0.772 1.450 3.408 1.00 63.03 H new ATOM 0 HG21 VAL A 91 1.305 1.018 0.410 1.00 35.23 H new ATOM 0 HG22 VAL A 91 1.647 -0.186 1.674 1.00 35.23 H new ATOM 0 HG23 VAL A 91 0.608 -0.615 0.294 1.00 35.23 H new ATOM 1369 N GLU A 92 -2.320 -1.552 0.850 1.00 4.31 N ATOM 1370 CA GLU A 92 -2.667 -2.652 -0.013 1.00 70.42 C ATOM 1371 C GLU A 92 -2.627 -2.202 -1.458 1.00 21.34 C ATOM 1372 O GLU A 92 -3.243 -1.190 -1.828 1.00 52.20 O ATOM 1373 CB GLU A 92 -4.033 -3.213 0.343 1.00 60.10 C ATOM 1374 CG GLU A 92 -4.227 -4.645 -0.118 1.00 43.12 C ATOM 1375 CD GLU A 92 -5.610 -5.170 0.149 1.00 3.25 C ATOM 1376 OE1 GLU A 92 -6.515 -4.927 -0.653 1.00 45.41 O ATOM 1377 OE2 GLU A 92 -5.803 -5.849 1.176 1.00 74.11 O ATOM 0 H GLU A 92 -2.914 -0.726 0.778 1.00 4.31 H new ATOM 0 HA GLU A 92 -1.938 -3.450 0.127 1.00 70.42 H new ATOM 0 HB2 GLU A 92 -4.169 -3.164 1.423 1.00 60.10 H new ATOM 0 HB3 GLU A 92 -4.804 -2.586 -0.104 1.00 60.10 H new ATOM 0 HG2 GLU A 92 -4.022 -4.707 -1.187 1.00 43.12 H new ATOM 0 HG3 GLU A 92 -3.500 -5.283 0.384 1.00 43.12 H new ATOM 1384 N VAL A 93 -1.922 -2.946 -2.266 1.00 4.35 N ATOM 1385 CA VAL A 93 -1.721 -2.606 -3.643 1.00 23.43 C ATOM 1386 C VAL A 93 -2.111 -3.782 -4.522 1.00 61.23 C ATOM 1387 O VAL A 93 -2.338 -4.892 -4.037 1.00 34.11 O ATOM 1388 CB VAL A 93 -0.213 -2.288 -3.944 1.00 10.11 C ATOM 1389 CG1 VAL A 93 0.320 -1.216 -3.036 1.00 44.21 C ATOM 1390 CG2 VAL A 93 0.657 -3.531 -3.860 1.00 14.32 C ATOM 0 H VAL A 93 -1.467 -3.814 -1.981 1.00 4.35 H new ATOM 0 HA VAL A 93 -2.332 -1.728 -3.850 1.00 23.43 H new ATOM 0 HB VAL A 93 -0.173 -1.918 -4.969 1.00 10.11 H new ATOM 0 HG11 VAL A 93 1.366 -1.024 -3.275 1.00 44.21 H new ATOM 0 HG12 VAL A 93 -0.258 -0.302 -3.174 1.00 44.21 H new ATOM 0 HG13 VAL A 93 0.239 -1.543 -2.000 1.00 44.21 H new ATOM 0 HG21 VAL A 93 1.692 -3.266 -4.075 1.00 14.32 H new ATOM 0 HG22 VAL A 93 0.592 -3.954 -2.857 1.00 14.32 H new ATOM 0 HG23 VAL A 93 0.312 -4.266 -4.587 1.00 14.32 H new ATOM 1400 N VAL A 94 -2.201 -3.535 -5.787 1.00 33.25 N ATOM 1401 CA VAL A 94 -2.400 -4.587 -6.740 1.00 31.33 C ATOM 1402 C VAL A 94 -1.098 -4.853 -7.420 1.00 22.44 C ATOM 1403 O VAL A 94 -0.587 -4.001 -8.140 1.00 44.35 O ATOM 1404 CB VAL A 94 -3.483 -4.244 -7.785 1.00 3.15 C ATOM 1405 CG1 VAL A 94 -3.530 -5.301 -8.893 1.00 3.22 C ATOM 1406 CG2 VAL A 94 -4.824 -4.185 -7.110 1.00 30.01 C ATOM 0 H VAL A 94 -2.139 -2.601 -6.193 1.00 33.25 H new ATOM 0 HA VAL A 94 -2.752 -5.471 -6.208 1.00 31.33 H new ATOM 0 HB VAL A 94 -3.238 -3.280 -8.230 1.00 3.15 H new ATOM 0 HG11 VAL A 94 -4.301 -5.036 -9.616 1.00 3.22 H new ATOM 0 HG12 VAL A 94 -2.563 -5.346 -9.394 1.00 3.22 H new ATOM 0 HG13 VAL A 94 -3.759 -6.274 -8.458 1.00 3.22 H new ATOM 0 HG21 VAL A 94 -5.591 -3.943 -7.845 1.00 30.01 H new ATOM 0 HG22 VAL A 94 -5.047 -5.152 -6.658 1.00 30.01 H new ATOM 0 HG23 VAL A 94 -4.808 -3.418 -6.336 1.00 30.01 H new ATOM 1416 N ARG A 95 -0.551 -6.013 -7.173 1.00 23.33 N ATOM 1417 CA ARG A 95 0.689 -6.396 -7.751 1.00 73.54 C ATOM 1418 C ARG A 95 0.413 -6.873 -9.160 1.00 72.35 C ATOM 1419 O ARG A 95 -0.021 -8.014 -9.381 1.00 2.04 O ATOM 1420 CB ARG A 95 1.395 -7.459 -6.887 1.00 2.22 C ATOM 1421 CG ARG A 95 2.792 -7.813 -7.353 1.00 1.23 C ATOM 1422 CD ARG A 95 3.521 -8.726 -6.361 1.00 10.35 C ATOM 1423 NE ARG A 95 2.886 -10.036 -6.192 1.00 12.12 N ATOM 1424 CZ ARG A 95 3.347 -11.007 -5.375 1.00 44.44 C ATOM 1425 NH1 ARG A 95 4.380 -10.794 -4.572 1.00 22.02 N ATOM 1426 NH2 ARG A 95 2.746 -12.168 -5.347 1.00 24.41 N ATOM 0 H ARG A 95 -0.963 -6.716 -6.560 1.00 23.33 H new ATOM 0 HA ARG A 95 1.376 -5.550 -7.793 1.00 73.54 H new ATOM 0 HB2 ARG A 95 1.448 -7.099 -5.860 1.00 2.22 H new ATOM 0 HB3 ARG A 95 0.788 -8.364 -6.877 1.00 2.22 H new ATOM 0 HG2 ARG A 95 2.735 -8.306 -8.323 1.00 1.23 H new ATOM 0 HG3 ARG A 95 3.369 -6.899 -7.494 1.00 1.23 H new ATOM 0 HD2 ARG A 95 4.547 -8.870 -6.699 1.00 10.35 H new ATOM 0 HD3 ARG A 95 3.572 -8.229 -5.392 1.00 10.35 H new ATOM 0 HE ARG A 95 2.039 -10.227 -6.727 1.00 12.12 H new ATOM 0 HH11 ARG A 95 4.841 -9.884 -4.564 1.00 22.02 H new ATOM 0 HH12 ARG A 95 4.714 -11.540 -3.962 1.00 22.02 H new ATOM 0 HH21 ARG A 95 1.934 -12.336 -5.940 1.00 24.41 H new ATOM 0 HH22 ARG A 95 3.090 -12.905 -4.732 1.00 24.41 H new ATOM 1440 N MET A 96 0.664 -5.974 -10.103 1.00 34.15 N ATOM 1441 CA MET A 96 0.315 -6.122 -11.518 1.00 10.10 C ATOM 1442 C MET A 96 1.050 -7.329 -12.119 1.00 54.51 C ATOM 1443 O MET A 96 0.650 -7.863 -13.133 1.00 45.01 O ATOM 1444 CB MET A 96 0.674 -4.807 -12.250 1.00 45.30 C ATOM 1445 CG MET A 96 -0.207 -4.441 -13.448 1.00 11.11 C ATOM 1446 SD MET A 96 -0.150 -5.590 -14.830 1.00 11.04 S ATOM 1447 CE MET A 96 -1.324 -4.820 -15.943 1.00 22.51 C ATOM 0 H MET A 96 1.132 -5.090 -9.901 1.00 34.15 H new ATOM 0 HA MET A 96 -0.753 -6.308 -11.632 1.00 10.10 H new ATOM 0 HB2 MET A 96 0.630 -3.990 -11.530 1.00 45.30 H new ATOM 0 HB3 MET A 96 1.707 -4.875 -12.592 1.00 45.30 H new ATOM 0 HG2 MET A 96 -1.239 -4.361 -13.107 1.00 11.11 H new ATOM 0 HG3 MET A 96 0.088 -3.455 -13.806 1.00 11.11 H new ATOM 0 HE1 MET A 96 -1.238 -5.271 -16.932 1.00 22.51 H new ATOM 0 HE2 MET A 96 -2.335 -4.967 -15.564 1.00 22.51 H new ATOM 0 HE3 MET A 96 -1.114 -3.753 -16.012 1.00 22.51 H new ATOM 1457 N ASP A 97 2.109 -7.772 -11.424 1.00 23.12 N ATOM 1458 CA ASP A 97 2.884 -8.984 -11.791 1.00 52.24 C ATOM 1459 C ASP A 97 1.955 -10.157 -12.106 1.00 65.40 C ATOM 1460 O ASP A 97 2.219 -10.931 -13.015 1.00 51.31 O ATOM 1461 CB ASP A 97 3.836 -9.378 -10.651 1.00 41.53 C ATOM 1462 CG ASP A 97 4.686 -10.609 -10.962 1.00 20.43 C ATOM 1463 OD1 ASP A 97 5.735 -10.470 -11.626 1.00 72.41 O ATOM 1464 OD2 ASP A 97 4.319 -11.723 -10.525 1.00 53.51 O ATOM 0 H ASP A 97 2.459 -7.304 -10.588 1.00 23.12 H new ATOM 0 HA ASP A 97 3.465 -8.748 -12.683 1.00 52.24 H new ATOM 0 HB2 ASP A 97 4.495 -8.538 -10.432 1.00 41.53 H new ATOM 0 HB3 ASP A 97 3.252 -9.568 -9.750 1.00 41.53 H new ATOM 1469 N ASN A 98 0.860 -10.263 -11.359 1.00 44.42 N ATOM 1470 CA ASN A 98 -0.125 -11.311 -11.607 1.00 32.31 C ATOM 1471 C ASN A 98 -1.539 -10.686 -11.493 1.00 30.51 C ATOM 1472 O ASN A 98 -2.545 -11.372 -11.494 1.00 62.14 O ATOM 1473 CB ASN A 98 0.075 -12.464 -10.582 1.00 24.25 C ATOM 1474 CG ASN A 98 -0.612 -13.788 -10.964 1.00 4.32 C ATOM 1475 OD1 ASN A 98 -0.032 -14.877 -10.564 1.00 74.13 O flip ATOM 1476 ND2 ASN A 98 -1.636 -13.823 -11.627 1.00 61.24 N flip ATOM 0 H ASN A 98 0.633 -9.641 -10.583 1.00 44.42 H new ATOM 0 HA ASN A 98 -0.005 -11.732 -12.605 1.00 32.31 H new ATOM 0 HB2 ASN A 98 1.143 -12.645 -10.463 1.00 24.25 H new ATOM 0 HB3 ASN A 98 -0.303 -12.140 -9.612 1.00 24.25 H new ATOM 0 HD21 ASN A 98 -2.076 -12.955 -11.932 1.00 61.24 H new ATOM 0 HD22 ASN A 98 -2.052 -14.720 -11.877 1.00 61.24 H new ATOM 1483 N SER A 99 -1.576 -9.347 -11.416 1.00 24.00 N ATOM 1484 CA SER A 99 -2.822 -8.567 -11.254 1.00 60.21 C ATOM 1485 C SER A 99 -3.538 -8.973 -9.936 1.00 65.41 C ATOM 1486 O SER A 99 -4.759 -8.804 -9.771 1.00 3.21 O ATOM 1487 CB SER A 99 -3.735 -8.748 -12.499 1.00 20.41 C ATOM 1488 OG SER A 99 -4.894 -7.918 -12.435 1.00 64.54 O ATOM 0 H SER A 99 -0.738 -8.767 -11.464 1.00 24.00 H new ATOM 0 HA SER A 99 -2.581 -7.506 -11.181 1.00 60.21 H new ATOM 0 HB2 SER A 99 -3.170 -8.513 -13.401 1.00 20.41 H new ATOM 0 HB3 SER A 99 -4.040 -9.792 -12.577 1.00 20.41 H new ATOM 0 HG SER A 99 -5.253 -7.927 -11.523 1.00 64.54 H new ATOM 1494 N GLU A 100 -2.753 -9.447 -8.989 1.00 1.23 N ATOM 1495 CA GLU A 100 -3.259 -9.901 -7.721 1.00 54.32 C ATOM 1496 C GLU A 100 -3.211 -8.776 -6.734 1.00 31.30 C ATOM 1497 O GLU A 100 -2.486 -7.813 -6.916 1.00 73.21 O ATOM 1498 CB GLU A 100 -2.451 -11.091 -7.214 1.00 23.43 C ATOM 1499 CG GLU A 100 -1.016 -10.732 -6.884 1.00 23.14 C ATOM 1500 CD GLU A 100 -0.173 -11.913 -6.468 1.00 35.14 C ATOM 1501 OE1 GLU A 100 -0.409 -12.477 -5.382 1.00 4.50 O ATOM 1502 OE2 GLU A 100 0.793 -12.257 -7.193 1.00 61.13 O ATOM 0 H GLU A 100 -1.741 -9.526 -9.084 1.00 1.23 H new ATOM 0 HA GLU A 100 -4.292 -10.225 -7.846 1.00 54.32 H new ATOM 0 HB2 GLU A 100 -2.932 -11.498 -6.325 1.00 23.43 H new ATOM 0 HB3 GLU A 100 -2.459 -11.877 -7.969 1.00 23.43 H new ATOM 0 HG2 GLU A 100 -0.560 -10.260 -7.754 1.00 23.14 H new ATOM 0 HG3 GLU A 100 -1.011 -9.994 -6.082 1.00 23.14 H new ATOM 1509 N LYS A 101 -3.957 -8.897 -5.707 1.00 14.04 N ATOM 1510 CA LYS A 101 -4.045 -7.858 -4.731 1.00 12.21 C ATOM 1511 C LYS A 101 -3.241 -8.306 -3.540 1.00 74.03 C ATOM 1512 O LYS A 101 -3.428 -9.421 -3.060 1.00 44.21 O ATOM 1513 CB LYS A 101 -5.520 -7.591 -4.316 1.00 72.24 C ATOM 1514 CG LYS A 101 -6.519 -7.324 -5.472 1.00 21.21 C ATOM 1515 CD LYS A 101 -6.793 -8.569 -6.320 1.00 51.45 C ATOM 1516 CE LYS A 101 -7.700 -8.286 -7.493 1.00 53.11 C ATOM 1517 NZ LYS A 101 -7.944 -9.501 -8.298 1.00 21.31 N ATOM 0 H LYS A 101 -4.530 -9.717 -5.508 1.00 14.04 H new ATOM 0 HA LYS A 101 -3.659 -6.925 -5.141 1.00 12.21 H new ATOM 0 HB2 LYS A 101 -5.876 -8.449 -3.747 1.00 72.24 H new ATOM 0 HB3 LYS A 101 -5.537 -6.733 -3.644 1.00 72.24 H new ATOM 0 HG2 LYS A 101 -7.458 -6.959 -5.057 1.00 21.21 H new ATOM 0 HG3 LYS A 101 -6.125 -6.534 -6.111 1.00 21.21 H new ATOM 0 HD2 LYS A 101 -5.848 -8.970 -6.685 1.00 51.45 H new ATOM 0 HD3 LYS A 101 -7.245 -9.338 -5.694 1.00 51.45 H new ATOM 0 HE2 LYS A 101 -8.650 -7.891 -7.132 1.00 53.11 H new ATOM 0 HE3 LYS A 101 -7.253 -7.516 -8.122 1.00 53.11 H new ATOM 0 HZ1 LYS A 101 -8.571 -9.269 -9.095 1.00 21.31 H new ATOM 0 HZ2 LYS A 101 -7.040 -9.863 -8.663 1.00 21.31 H new ATOM 0 HZ3 LYS A 101 -8.393 -10.227 -7.704 1.00 21.31 H new ATOM 1531 N VAL A 102 -2.350 -7.475 -3.072 1.00 44.12 N ATOM 1532 CA VAL A 102 -1.476 -7.832 -1.977 1.00 34.33 C ATOM 1533 C VAL A 102 -1.306 -6.690 -0.998 1.00 45.40 C ATOM 1534 O VAL A 102 -1.255 -5.519 -1.380 1.00 25.25 O ATOM 1535 CB VAL A 102 -0.065 -8.305 -2.461 1.00 0.42 C ATOM 1536 CG1 VAL A 102 -0.144 -9.623 -3.213 1.00 52.13 C ATOM 1537 CG2 VAL A 102 0.587 -7.249 -3.340 1.00 3.41 C ATOM 0 H VAL A 102 -2.206 -6.533 -3.435 1.00 44.12 H new ATOM 0 HA VAL A 102 -1.965 -8.667 -1.475 1.00 34.33 H new ATOM 0 HB VAL A 102 0.547 -8.456 -1.571 1.00 0.42 H new ATOM 0 HG11 VAL A 102 0.855 -9.920 -3.533 1.00 52.13 H new ATOM 0 HG12 VAL A 102 -0.558 -10.391 -2.559 1.00 52.13 H new ATOM 0 HG13 VAL A 102 -0.785 -9.506 -4.087 1.00 52.13 H new ATOM 0 HG21 VAL A 102 1.567 -7.600 -3.664 1.00 3.41 H new ATOM 0 HG22 VAL A 102 -0.040 -7.064 -4.213 1.00 3.41 H new ATOM 0 HG23 VAL A 102 0.702 -6.325 -2.774 1.00 3.41 H new ATOM 1547 N LYS A 103 -1.237 -7.034 0.251 1.00 31.12 N ATOM 1548 CA LYS A 103 -1.016 -6.078 1.294 1.00 71.12 C ATOM 1549 C LYS A 103 0.508 -5.970 1.464 1.00 52.23 C ATOM 1550 O LYS A 103 1.186 -6.989 1.634 1.00 73.33 O ATOM 1551 CB LYS A 103 -1.677 -6.588 2.569 1.00 21.31 C ATOM 1552 CG LYS A 103 -1.719 -5.591 3.691 1.00 11.14 C ATOM 1553 CD LYS A 103 -2.759 -4.501 3.492 1.00 33.43 C ATOM 1554 CE LYS A 103 -4.171 -5.046 3.688 1.00 72.41 C ATOM 1555 NZ LYS A 103 -5.216 -4.009 3.529 1.00 5.42 N ATOM 0 H LYS A 103 -1.333 -7.995 0.579 1.00 31.12 H new ATOM 0 HA LYS A 103 -1.439 -5.100 1.064 1.00 71.12 H new ATOM 0 HB2 LYS A 103 -2.696 -6.897 2.336 1.00 21.31 H new ATOM 0 HB3 LYS A 103 -1.144 -7.476 2.909 1.00 21.31 H new ATOM 0 HG2 LYS A 103 -1.926 -6.114 4.624 1.00 11.14 H new ATOM 0 HG3 LYS A 103 -0.736 -5.131 3.795 1.00 11.14 H new ATOM 0 HD2 LYS A 103 -2.578 -3.689 4.196 1.00 33.43 H new ATOM 0 HD3 LYS A 103 -2.664 -4.082 2.490 1.00 33.43 H new ATOM 0 HE2 LYS A 103 -4.349 -5.847 2.970 1.00 72.41 H new ATOM 0 HE3 LYS A 103 -4.251 -5.486 4.682 1.00 72.41 H new ATOM 0 HZ1 LYS A 103 -5.874 -4.053 4.333 1.00 5.42 H new ATOM 0 HZ2 LYS A 103 -4.771 -3.070 3.497 1.00 5.42 H new ATOM 0 HZ3 LYS A 103 -5.738 -4.175 2.645 1.00 5.42 H new ATOM 1569 N VAL A 104 1.035 -4.770 1.384 1.00 51.43 N ATOM 1570 CA VAL A 104 2.478 -4.560 1.361 1.00 21.31 C ATOM 1571 C VAL A 104 2.886 -3.448 2.332 1.00 62.41 C ATOM 1572 O VAL A 104 2.035 -2.796 2.927 1.00 12.34 O ATOM 1573 CB VAL A 104 2.942 -4.146 -0.078 1.00 43.21 C ATOM 1574 CG1 VAL A 104 2.510 -5.169 -1.112 1.00 1.43 C ATOM 1575 CG2 VAL A 104 2.409 -2.774 -0.452 1.00 65.53 C ATOM 0 H VAL A 104 0.486 -3.912 1.333 1.00 51.43 H new ATOM 0 HA VAL A 104 2.951 -5.496 1.658 1.00 21.31 H new ATOM 0 HB VAL A 104 4.031 -4.105 -0.067 1.00 43.21 H new ATOM 0 HG11 VAL A 104 2.847 -4.853 -2.099 1.00 1.43 H new ATOM 0 HG12 VAL A 104 2.949 -6.137 -0.871 1.00 1.43 H new ATOM 0 HG13 VAL A 104 1.423 -5.253 -1.109 1.00 1.43 H new ATOM 0 HG21 VAL A 104 2.747 -2.513 -1.455 1.00 65.53 H new ATOM 0 HG22 VAL A 104 1.319 -2.788 -0.428 1.00 65.53 H new ATOM 0 HG23 VAL A 104 2.778 -2.034 0.259 1.00 65.53 H new ATOM 1585 N GLU A 105 4.178 -3.240 2.476 1.00 45.41 N ATOM 1586 CA GLU A 105 4.706 -2.149 3.287 1.00 3.55 C ATOM 1587 C GLU A 105 5.114 -1.025 2.356 1.00 65.23 C ATOM 1588 O GLU A 105 5.416 -1.274 1.195 1.00 34.21 O ATOM 1589 CB GLU A 105 5.942 -2.598 4.062 1.00 22.44 C ATOM 1590 CG GLU A 105 5.722 -3.735 5.034 1.00 42.43 C ATOM 1591 CD GLU A 105 4.749 -3.410 6.129 1.00 40.13 C ATOM 1592 OE1 GLU A 105 5.150 -2.740 7.110 1.00 0.13 O ATOM 1593 OE2 GLU A 105 3.592 -3.852 6.059 1.00 14.31 O ATOM 0 H GLU A 105 4.895 -3.818 2.038 1.00 45.41 H new ATOM 0 HA GLU A 105 3.941 -1.828 3.994 1.00 3.55 H new ATOM 0 HB2 GLU A 105 6.709 -2.897 3.347 1.00 22.44 H new ATOM 0 HB3 GLU A 105 6.335 -1.743 4.612 1.00 22.44 H new ATOM 0 HG2 GLU A 105 5.362 -4.606 4.486 1.00 42.43 H new ATOM 0 HG3 GLU A 105 6.678 -4.011 5.479 1.00 42.43 H new ATOM 1600 N THR A 106 5.102 0.188 2.834 1.00 42.14 N ATOM 1601 CA THR A 106 5.526 1.312 2.027 1.00 35.42 C ATOM 1602 C THR A 106 5.986 2.444 2.950 1.00 4.25 C ATOM 1603 O THR A 106 5.857 2.332 4.184 1.00 32.31 O ATOM 1604 CB THR A 106 4.377 1.807 1.113 1.00 70.53 C ATOM 1605 OG1 THR A 106 4.865 2.774 0.167 1.00 71.03 O ATOM 1606 CG2 THR A 106 3.285 2.442 1.951 1.00 63.14 C ATOM 0 H THR A 106 4.804 0.430 3.779 1.00 42.14 H new ATOM 0 HA THR A 106 6.350 0.996 1.387 1.00 35.42 H new ATOM 0 HB THR A 106 3.976 0.949 0.574 1.00 70.53 H new ATOM 0 HG1 THR A 106 5.505 2.345 -0.439 1.00 71.03 H new ATOM 0 HG21 THR A 106 2.481 2.787 1.300 1.00 63.14 H new ATOM 0 HG22 THR A 106 2.892 1.708 2.654 1.00 63.14 H new ATOM 0 HG23 THR A 106 3.695 3.289 2.502 1.00 63.14 H new ATOM 1614 N TYR A 107 6.509 3.512 2.372 1.00 34.41 N ATOM 1615 CA TYR A 107 6.961 4.641 3.147 1.00 32.43 C ATOM 1616 C TYR A 107 5.969 5.767 2.954 1.00 23.44 C ATOM 1617 O TYR A 107 5.761 6.228 1.828 1.00 33.32 O ATOM 1618 CB TYR A 107 8.308 5.173 2.641 1.00 12.12 C ATOM 1619 CG TYR A 107 9.429 4.180 2.470 1.00 60.15 C ATOM 1620 CD1 TYR A 107 9.921 3.434 3.532 1.00 72.34 C ATOM 1621 CD2 TYR A 107 10.037 4.036 1.229 1.00 65.30 C ATOM 1622 CE1 TYR A 107 10.988 2.571 3.355 1.00 3.44 C ATOM 1623 CE2 TYR A 107 11.090 3.177 1.045 1.00 63.21 C ATOM 1624 CZ TYR A 107 11.564 2.450 2.103 1.00 0.53 C ATOM 1625 OH TYR A 107 12.629 1.615 1.919 1.00 61.03 O ATOM 0 H TYR A 107 6.629 3.615 1.364 1.00 34.41 H new ATOM 0 HA TYR A 107 7.056 4.320 4.184 1.00 32.43 H new ATOM 0 HB2 TYR A 107 8.138 5.658 1.679 1.00 12.12 H new ATOM 0 HB3 TYR A 107 8.645 5.945 3.332 1.00 12.12 H new ATOM 0 HD1 TYR A 107 9.466 3.528 4.507 1.00 72.34 H new ATOM 0 HD2 TYR A 107 9.673 4.613 0.392 1.00 65.30 H new ATOM 0 HE1 TYR A 107 11.368 1.997 4.187 1.00 3.44 H new ATOM 0 HE2 TYR A 107 11.543 3.075 0.070 1.00 63.21 H new ATOM 0 HH TYR A 107 12.912 1.647 0.981 1.00 61.03 H new ATOM 1635 N VAL A 108 5.358 6.203 4.009 1.00 30.22 N ATOM 1636 CA VAL A 108 4.464 7.317 3.927 1.00 30.13 C ATOM 1637 C VAL A 108 5.035 8.472 4.682 1.00 4.42 C ATOM 1638 O VAL A 108 5.940 8.293 5.504 1.00 73.52 O ATOM 1639 CB VAL A 108 3.057 6.999 4.456 1.00 62.33 C ATOM 1640 CG1 VAL A 108 2.417 5.914 3.632 1.00 1.03 C ATOM 1641 CG2 VAL A 108 3.093 6.614 5.926 1.00 20.52 C ATOM 0 H VAL A 108 5.461 5.804 4.942 1.00 30.22 H new ATOM 0 HA VAL A 108 4.358 7.564 2.871 1.00 30.13 H new ATOM 0 HB VAL A 108 2.452 7.901 4.367 1.00 62.33 H new ATOM 0 HG11 VAL A 108 1.421 5.701 4.021 1.00 1.03 H new ATOM 0 HG12 VAL A 108 2.340 6.242 2.595 1.00 1.03 H new ATOM 0 HG13 VAL A 108 3.026 5.012 3.682 1.00 1.03 H new ATOM 0 HG21 VAL A 108 2.082 6.395 6.270 1.00 20.52 H new ATOM 0 HG22 VAL A 108 3.719 5.731 6.056 1.00 20.52 H new ATOM 0 HG23 VAL A 108 3.504 7.439 6.508 1.00 20.52 H new ATOM 1651 N TRP A 109 4.521 9.639 4.425 1.00 42.25 N ATOM 1652 CA TRP A 109 5.000 10.823 5.067 1.00 12.32 C ATOM 1653 C TRP A 109 4.591 10.785 6.537 1.00 14.42 C ATOM 1654 O TRP A 109 3.416 10.691 6.849 1.00 1.34 O ATOM 1655 CB TRP A 109 4.452 12.042 4.336 1.00 31.34 C ATOM 1656 CG TRP A 109 5.057 13.332 4.741 1.00 2.32 C ATOM 1657 CD1 TRP A 109 4.404 14.455 5.149 1.00 11.01 C ATOM 1658 CD2 TRP A 109 6.455 13.634 4.781 1.00 40.30 C ATOM 1659 NE1 TRP A 109 5.310 15.449 5.418 1.00 51.34 N ATOM 1660 CE2 TRP A 109 6.576 14.968 5.206 1.00 52.21 C ATOM 1661 CE3 TRP A 109 7.625 12.906 4.491 1.00 44.41 C ATOM 1662 CZ2 TRP A 109 7.805 15.591 5.350 1.00 4.33 C ATOM 1663 CZ3 TRP A 109 8.829 13.524 4.637 1.00 41.52 C ATOM 1664 CH2 TRP A 109 8.916 14.856 5.062 1.00 32.51 C ATOM 0 H TRP A 109 3.759 9.795 3.765 1.00 42.25 H new ATOM 0 HA TRP A 109 6.088 10.883 5.028 1.00 12.32 H new ATOM 0 HB2 TRP A 109 4.604 11.905 3.265 1.00 31.34 H new ATOM 0 HB3 TRP A 109 3.376 12.094 4.501 1.00 31.34 H new ATOM 0 HD1 TRP A 109 3.333 14.549 5.246 1.00 11.01 H new ATOM 0 HE1 TRP A 109 5.079 16.394 5.726 1.00 51.34 H new ATOM 0 HE3 TRP A 109 7.568 11.880 4.160 1.00 44.41 H new ATOM 0 HZ2 TRP A 109 7.880 16.618 5.677 1.00 4.33 H new ATOM 0 HZ3 TRP A 109 9.735 12.977 4.421 1.00 41.52 H new ATOM 0 HH2 TRP A 109 9.889 15.313 5.164 1.00 32.51 H new ATOM 1675 N VAL A 110 5.570 10.853 7.427 1.00 42.52 N ATOM 1676 CA VAL A 110 5.342 10.649 8.863 1.00 70.42 C ATOM 1677 C VAL A 110 4.508 11.794 9.469 1.00 54.12 C ATOM 1678 O VAL A 110 3.871 11.637 10.501 1.00 62.12 O ATOM 1679 CB VAL A 110 6.698 10.506 9.619 1.00 34.30 C ATOM 1680 CG1 VAL A 110 7.365 11.824 9.909 1.00 40.34 C ATOM 1681 CG2 VAL A 110 6.593 9.667 10.842 1.00 31.25 C ATOM 0 H VAL A 110 6.541 11.049 7.184 1.00 42.52 H new ATOM 0 HA VAL A 110 4.776 9.725 8.980 1.00 70.42 H new ATOM 0 HB VAL A 110 7.350 9.978 8.924 1.00 34.30 H new ATOM 0 HG11 VAL A 110 8.303 11.649 10.436 1.00 40.34 H new ATOM 0 HG12 VAL A 110 7.567 12.343 8.972 1.00 40.34 H new ATOM 0 HG13 VAL A 110 6.709 12.435 10.529 1.00 40.34 H new ATOM 0 HG21 VAL A 110 7.568 9.604 11.325 1.00 31.25 H new ATOM 0 HG22 VAL A 110 5.875 10.114 11.530 1.00 31.25 H new ATOM 0 HG23 VAL A 110 6.258 8.666 10.569 1.00 31.25 H new ATOM 1691 N ASN A 111 4.499 12.917 8.783 1.00 22.01 N ATOM 1692 CA ASN A 111 3.808 14.124 9.228 1.00 0.41 C ATOM 1693 C ASN A 111 2.345 14.128 8.719 1.00 22.05 C ATOM 1694 O ASN A 111 1.651 15.112 8.807 1.00 0.42 O ATOM 1695 CB ASN A 111 4.602 15.358 8.727 1.00 0.01 C ATOM 1696 CG ASN A 111 4.096 16.714 9.227 1.00 71.40 C ATOM 1697 OD1 ASN A 111 3.258 17.357 8.451 1.00 1.32 O flip ATOM 1698 ND2 ASN A 111 4.495 17.187 10.295 1.00 62.50 N flip ATOM 0 H ASN A 111 4.976 13.026 7.888 1.00 22.01 H new ATOM 0 HA ASN A 111 3.762 14.156 10.317 1.00 0.41 H new ATOM 0 HB2 ASN A 111 5.644 15.245 9.028 1.00 0.01 H new ATOM 0 HB3 ASN A 111 4.584 15.362 7.637 1.00 0.01 H new ATOM 0 HD21 ASN A 111 5.147 16.659 10.875 1.00 62.50 H new ATOM 0 HD22 ASN A 111 4.172 18.106 10.598 1.00 62.50 H new ATOM 1705 N LYS A 112 1.895 12.983 8.212 1.00 13.35 N ATOM 1706 CA LYS A 112 0.532 12.806 7.649 1.00 13.12 C ATOM 1707 C LYS A 112 -0.634 13.254 8.550 1.00 74.44 C ATOM 1708 O LYS A 112 -1.741 13.488 8.053 1.00 52.40 O ATOM 1709 CB LYS A 112 0.316 11.376 7.225 1.00 14.11 C ATOM 1710 CG LYS A 112 0.666 10.408 8.289 1.00 32.11 C ATOM 1711 CD LYS A 112 0.500 9.010 7.823 1.00 4.04 C ATOM 1712 CE LYS A 112 1.299 8.121 8.693 1.00 50.23 C ATOM 1713 NZ LYS A 112 0.870 8.133 10.109 1.00 2.02 N ATOM 0 H LYS A 112 2.461 12.135 8.174 1.00 13.35 H new ATOM 0 HA LYS A 112 0.510 13.481 6.794 1.00 13.12 H new ATOM 0 HB2 LYS A 112 -0.728 11.238 6.943 1.00 14.11 H new ATOM 0 HB3 LYS A 112 0.916 11.169 6.339 1.00 14.11 H new ATOM 0 HG2 LYS A 112 1.697 10.568 8.604 1.00 32.11 H new ATOM 0 HG3 LYS A 112 0.036 10.580 9.161 1.00 32.11 H new ATOM 0 HD2 LYS A 112 -0.551 8.724 7.854 1.00 4.04 H new ATOM 0 HD3 LYS A 112 0.825 8.916 6.787 1.00 4.04 H new ATOM 0 HE2 LYS A 112 1.236 7.102 8.312 1.00 50.23 H new ATOM 0 HE3 LYS A 112 2.346 8.418 8.637 1.00 50.23 H new ATOM 0 HZ1 LYS A 112 1.685 8.351 10.717 1.00 2.02 H new ATOM 0 HZ2 LYS A 112 0.135 8.856 10.243 1.00 2.02 H new ATOM 0 HZ3 LYS A 112 0.488 7.200 10.364 1.00 2.02 H new ATOM 1727 N ASP A 113 -0.406 13.376 9.853 1.00 21.22 N ATOM 1728 CA ASP A 113 -1.507 13.784 10.766 1.00 51.53 C ATOM 1729 C ASP A 113 -1.661 15.300 10.746 1.00 53.53 C ATOM 1730 O ASP A 113 -2.717 15.852 11.066 1.00 32.03 O ATOM 1731 CB ASP A 113 -1.295 13.253 12.196 1.00 65.31 C ATOM 1732 CG ASP A 113 -2.441 13.588 13.147 1.00 31.33 C ATOM 1733 OD1 ASP A 113 -3.540 12.989 13.014 1.00 12.12 O ATOM 1734 OD2 ASP A 113 -2.253 14.413 14.065 1.00 3.51 O ATOM 0 H ASP A 113 0.493 13.209 10.305 1.00 21.22 H new ATOM 0 HA ASP A 113 -2.433 13.336 10.406 1.00 51.53 H new ATOM 0 HB2 ASP A 113 -1.170 12.171 12.158 1.00 65.31 H new ATOM 0 HB3 ASP A 113 -0.369 13.667 12.595 1.00 65.31 H new ATOM 1739 N ASP A 114 -0.608 15.950 10.329 1.00 74.04 N ATOM 1740 CA ASP A 114 -0.572 17.384 10.148 1.00 54.44 C ATOM 1741 C ASP A 114 -0.964 17.683 8.704 1.00 21.45 C ATOM 1742 O ASP A 114 -0.584 16.933 7.792 1.00 55.14 O ATOM 1743 CB ASP A 114 0.854 17.898 10.447 1.00 42.41 C ATOM 1744 CG ASP A 114 1.084 19.368 10.127 1.00 31.55 C ATOM 1745 OD1 ASP A 114 0.766 20.231 10.965 1.00 4.14 O ATOM 1746 OD2 ASP A 114 1.629 19.671 9.049 1.00 24.00 O ATOM 0 H ASP A 114 0.273 15.489 10.099 1.00 74.04 H new ATOM 0 HA ASP A 114 -1.264 17.884 10.826 1.00 54.44 H new ATOM 0 HB2 ASP A 114 1.071 17.732 11.502 1.00 42.41 H new ATOM 0 HB3 ASP A 114 1.567 17.301 9.878 1.00 42.41 H new ATOM 1751 N PRO A 115 -1.772 18.723 8.453 1.00 21.43 N ATOM 1752 CA PRO A 115 -2.174 19.078 7.099 1.00 13.41 C ATOM 1753 C PRO A 115 -1.021 19.689 6.301 1.00 51.50 C ATOM 1754 O PRO A 115 -0.890 20.921 6.198 1.00 12.33 O ATOM 1755 CB PRO A 115 -3.302 20.104 7.289 1.00 75.21 C ATOM 1756 CG PRO A 115 -3.619 20.075 8.749 1.00 40.45 C ATOM 1757 CD PRO A 115 -2.378 19.616 9.442 1.00 4.41 C ATOM 0 HA PRO A 115 -2.489 18.201 6.533 1.00 13.41 H new ATOM 0 HB2 PRO A 115 -2.986 21.099 6.975 1.00 75.21 H new ATOM 0 HB3 PRO A 115 -4.176 19.843 6.691 1.00 75.21 H new ATOM 0 HG2 PRO A 115 -3.918 21.062 9.101 1.00 40.45 H new ATOM 0 HG3 PRO A 115 -4.450 19.399 8.953 1.00 40.45 H new ATOM 0 HD2 PRO A 115 -1.721 20.449 9.692 1.00 4.41 H new ATOM 0 HD3 PRO A 115 -2.602 19.097 10.374 1.00 4.41 H new ATOM 1765 N ARG A 116 -0.145 18.847 5.821 1.00 21.34 N ATOM 1766 CA ARG A 116 0.984 19.293 5.066 1.00 11.11 C ATOM 1767 C ARG A 116 1.157 18.436 3.830 1.00 5.41 C ATOM 1768 O ARG A 116 1.439 17.248 3.943 1.00 4.33 O ATOM 1769 CB ARG A 116 2.219 19.254 5.950 1.00 35.21 C ATOM 1770 CG ARG A 116 3.449 19.881 5.352 1.00 43.42 C ATOM 1771 CD ARG A 116 4.568 19.950 6.368 1.00 13.10 C ATOM 1772 NE ARG A 116 4.185 20.752 7.547 1.00 1.53 N ATOM 1773 CZ ARG A 116 5.045 21.415 8.328 1.00 3.20 C ATOM 1774 NH1 ARG A 116 6.354 21.341 8.096 1.00 41.42 N ATOM 1775 NH2 ARG A 116 4.595 22.136 9.350 1.00 52.53 N ATOM 0 H ARG A 116 -0.198 17.836 5.945 1.00 21.34 H new ATOM 0 HA ARG A 116 0.828 20.319 4.733 1.00 11.11 H new ATOM 0 HB2 ARG A 116 1.992 19.759 6.889 1.00 35.21 H new ATOM 0 HB3 ARG A 116 2.441 18.215 6.193 1.00 35.21 H new ATOM 0 HG2 ARG A 116 3.773 19.302 4.487 1.00 43.42 H new ATOM 0 HG3 ARG A 116 3.214 20.884 4.995 1.00 43.42 H new ATOM 0 HD2 ARG A 116 4.835 18.942 6.685 1.00 13.10 H new ATOM 0 HD3 ARG A 116 5.454 20.384 5.905 1.00 13.10 H new ATOM 0 HE ARG A 116 3.194 20.804 7.783 1.00 1.53 H new ATOM 0 HH11 ARG A 116 6.704 20.778 7.321 1.00 41.42 H new ATOM 0 HH12 ARG A 116 7.007 21.848 8.693 1.00 41.42 H new ATOM 0 HH21 ARG A 116 3.594 22.184 9.539 1.00 52.53 H new ATOM 0 HH22 ARG A 116 5.251 22.642 9.945 1.00 52.53 H new ATOM 1789 N MET A 117 0.978 19.059 2.668 1.00 64.21 N ATOM 1790 CA MET A 117 1.077 18.403 1.358 1.00 61.13 C ATOM 1791 C MET A 117 0.128 17.222 1.215 1.00 51.34 C ATOM 1792 O MET A 117 0.512 16.072 1.382 1.00 43.14 O ATOM 1793 CB MET A 117 2.521 18.011 0.965 1.00 53.14 C ATOM 1794 CG MET A 117 3.478 19.175 0.667 1.00 64.12 C ATOM 1795 SD MET A 117 3.803 20.255 2.075 1.00 31.21 S ATOM 1796 CE MET A 117 4.968 21.407 1.352 1.00 35.42 C ATOM 0 H MET A 117 0.756 20.052 2.605 1.00 64.21 H new ATOM 0 HA MET A 117 0.760 19.165 0.646 1.00 61.13 H new ATOM 0 HB2 MET A 117 2.947 17.414 1.772 1.00 53.14 H new ATOM 0 HB3 MET A 117 2.475 17.370 0.085 1.00 53.14 H new ATOM 0 HG2 MET A 117 4.425 18.768 0.311 1.00 64.12 H new ATOM 0 HG3 MET A 117 3.062 19.772 -0.145 1.00 64.12 H new ATOM 0 HE1 MET A 117 5.266 22.141 2.101 1.00 35.42 H new ATOM 0 HE2 MET A 117 5.848 20.865 1.005 1.00 35.42 H new ATOM 0 HE3 MET A 117 4.500 21.917 0.510 1.00 35.42 H new ATOM 1920 N GLU A 125 2.763 15.277 -11.974 1.00 34.14 N ATOM 1921 CA GLU A 125 2.549 14.173 -11.087 1.00 50.45 C ATOM 1922 C GLU A 125 1.564 13.215 -11.719 1.00 11.24 C ATOM 1923 O GLU A 125 1.851 12.038 -11.884 1.00 21.32 O ATOM 1924 CB GLU A 125 2.002 14.697 -9.753 1.00 11.13 C ATOM 1925 CG GLU A 125 1.750 13.633 -8.710 1.00 53.52 C ATOM 1926 CD GLU A 125 3.000 12.886 -8.346 1.00 62.22 C ATOM 1927 OE1 GLU A 125 3.706 13.300 -7.431 1.00 53.14 O ATOM 1928 OE2 GLU A 125 3.290 11.866 -8.981 1.00 12.24 O ATOM 0 HA GLU A 125 3.487 13.649 -10.904 1.00 50.45 H new ATOM 0 HB2 GLU A 125 2.706 15.424 -9.348 1.00 11.13 H new ATOM 0 HB3 GLU A 125 1.069 15.228 -9.942 1.00 11.13 H new ATOM 0 HG2 GLU A 125 1.332 14.095 -7.816 1.00 53.52 H new ATOM 0 HG3 GLU A 125 1.005 12.930 -9.083 1.00 53.52 H new ATOM 1935 N TRP A 126 0.432 13.729 -12.158 1.00 13.34 N ATOM 1936 CA TRP A 126 -0.546 12.827 -12.746 1.00 42.41 C ATOM 1937 C TRP A 126 -0.071 12.330 -14.110 1.00 2.31 C ATOM 1938 O TRP A 126 -0.361 11.192 -14.510 1.00 32.02 O ATOM 1939 CB TRP A 126 -1.952 13.434 -12.828 1.00 44.33 C ATOM 1940 CG TRP A 126 -2.968 12.457 -13.351 1.00 73.51 C ATOM 1941 CD1 TRP A 126 -3.489 12.403 -14.607 1.00 10.33 C ATOM 1942 CD2 TRP A 126 -3.552 11.366 -12.629 1.00 14.14 C ATOM 1943 NE1 TRP A 126 -4.363 11.356 -14.712 1.00 44.40 N ATOM 1944 CE2 TRP A 126 -4.424 10.702 -13.509 1.00 3.01 C ATOM 1945 CE3 TRP A 126 -3.425 10.890 -11.319 1.00 51.32 C ATOM 1946 CZ2 TRP A 126 -5.162 9.585 -13.127 1.00 54.51 C ATOM 1947 CZ3 TRP A 126 -4.158 9.783 -10.940 1.00 75.20 C ATOM 1948 CH2 TRP A 126 -5.016 9.143 -11.841 1.00 11.12 C ATOM 0 H TRP A 126 0.171 14.715 -12.125 1.00 13.34 H new ATOM 0 HA TRP A 126 -0.628 11.972 -12.075 1.00 42.41 H new ATOM 0 HB2 TRP A 126 -2.256 13.775 -11.838 1.00 44.33 H new ATOM 0 HB3 TRP A 126 -1.929 14.311 -13.475 1.00 44.33 H new ATOM 0 HD1 TRP A 126 -3.247 13.088 -15.406 1.00 10.33 H new ATOM 0 HE1 TRP A 126 -4.885 11.103 -15.551 1.00 44.40 H new ATOM 0 HE3 TRP A 126 -2.766 11.380 -10.617 1.00 51.32 H new ATOM 0 HZ2 TRP A 126 -5.824 9.087 -13.819 1.00 54.51 H new ATOM 0 HZ3 TRP A 126 -4.068 9.405 -9.932 1.00 75.20 H new ATOM 0 HH2 TRP A 126 -5.576 8.280 -11.513 1.00 11.12 H new ATOM 1959 N ARG A 127 0.696 13.170 -14.798 1.00 64.44 N ATOM 1960 CA ARG A 127 1.233 12.849 -16.113 1.00 63.02 C ATOM 1961 C ARG A 127 2.062 11.568 -16.028 1.00 4.24 C ATOM 1962 O ARG A 127 1.890 10.659 -16.851 1.00 21.54 O ATOM 1963 CB ARG A 127 2.058 14.063 -16.667 1.00 62.30 C ATOM 1964 CG ARG A 127 2.562 13.982 -18.129 1.00 60.42 C ATOM 1965 CD ARG A 127 3.664 12.955 -18.336 1.00 3.33 C ATOM 1966 NE ARG A 127 4.110 12.884 -19.731 1.00 71.04 N ATOM 1967 CZ ARG A 127 4.910 11.927 -20.219 1.00 75.20 C ATOM 1968 NH1 ARG A 127 5.388 10.987 -19.416 1.00 43.21 N ATOM 1969 NH2 ARG A 127 5.241 11.920 -21.503 1.00 1.33 N ATOM 0 H ARG A 127 0.962 14.094 -14.457 1.00 64.44 H new ATOM 0 HA ARG A 127 0.420 12.668 -16.816 1.00 63.02 H new ATOM 0 HB2 ARG A 127 1.443 14.958 -16.573 1.00 62.30 H new ATOM 0 HB3 ARG A 127 2.924 14.203 -16.021 1.00 62.30 H new ATOM 0 HG2 ARG A 127 1.723 13.739 -18.781 1.00 60.42 H new ATOM 0 HG3 ARG A 127 2.928 14.962 -18.433 1.00 60.42 H new ATOM 0 HD2 ARG A 127 4.513 13.204 -17.699 1.00 3.33 H new ATOM 0 HD3 ARG A 127 3.306 11.974 -18.022 1.00 3.33 H new ATOM 0 HE ARG A 127 3.790 13.611 -20.371 1.00 71.04 H new ATOM 0 HH11 ARG A 127 5.147 10.992 -18.425 1.00 43.21 H new ATOM 0 HH12 ARG A 127 5.997 10.259 -19.789 1.00 43.21 H new ATOM 0 HH21 ARG A 127 4.886 12.646 -22.125 1.00 1.33 H new ATOM 0 HH22 ARG A 127 5.851 11.188 -21.869 1.00 1.33 H new ATOM 1983 N VAL A 128 2.921 11.474 -15.023 1.00 75.13 N ATOM 1984 CA VAL A 128 3.754 10.297 -14.875 1.00 12.32 C ATOM 1985 C VAL A 128 2.928 9.096 -14.408 1.00 2.22 C ATOM 1986 O VAL A 128 3.094 7.997 -14.919 1.00 22.53 O ATOM 1987 CB VAL A 128 4.990 10.520 -13.939 1.00 34.31 C ATOM 1988 CG1 VAL A 128 5.807 11.707 -14.395 1.00 35.13 C ATOM 1989 CG2 VAL A 128 4.594 10.683 -12.488 1.00 51.31 C ATOM 0 H VAL A 128 3.056 12.190 -14.309 1.00 75.13 H new ATOM 0 HA VAL A 128 4.157 10.087 -15.866 1.00 12.32 H new ATOM 0 HB VAL A 128 5.601 9.620 -14.011 1.00 34.31 H new ATOM 0 HG11 VAL A 128 6.659 11.840 -13.728 1.00 35.13 H new ATOM 0 HG12 VAL A 128 6.164 11.534 -15.410 1.00 35.13 H new ATOM 0 HG13 VAL A 128 5.188 12.604 -14.376 1.00 35.13 H new ATOM 0 HG21 VAL A 128 5.487 10.835 -11.882 1.00 51.31 H new ATOM 0 HG22 VAL A 128 3.935 11.545 -12.385 1.00 51.31 H new ATOM 0 HG23 VAL A 128 4.074 9.787 -12.150 1.00 51.31 H new ATOM 1999 N VAL A 129 1.979 9.339 -13.511 1.00 50.23 N ATOM 2000 CA VAL A 129 1.174 8.271 -12.928 1.00 12.10 C ATOM 2001 C VAL A 129 0.241 7.618 -13.970 1.00 3.30 C ATOM 2002 O VAL A 129 -0.036 6.418 -13.900 1.00 0.54 O ATOM 2003 CB VAL A 129 0.369 8.773 -11.675 1.00 71.24 C ATOM 2004 CG1 VAL A 129 -0.508 7.678 -11.093 1.00 65.30 C ATOM 2005 CG2 VAL A 129 1.325 9.272 -10.602 1.00 2.22 C ATOM 0 H VAL A 129 1.747 10.272 -13.170 1.00 50.23 H new ATOM 0 HA VAL A 129 1.866 7.501 -12.588 1.00 12.10 H new ATOM 0 HB VAL A 129 -0.275 9.587 -12.008 1.00 71.24 H new ATOM 0 HG11 VAL A 129 -1.048 8.065 -10.229 1.00 65.30 H new ATOM 0 HG12 VAL A 129 -1.221 7.344 -11.847 1.00 65.30 H new ATOM 0 HG13 VAL A 129 0.115 6.838 -10.785 1.00 65.30 H new ATOM 0 HG21 VAL A 129 0.755 9.617 -9.739 1.00 2.22 H new ATOM 0 HG22 VAL A 129 1.987 8.461 -10.299 1.00 2.22 H new ATOM 0 HG23 VAL A 129 1.918 10.096 -10.998 1.00 2.22 H new ATOM 2015 N HIS A 130 -0.238 8.374 -14.943 1.00 52.41 N ATOM 2016 CA HIS A 130 -1.067 7.733 -15.958 1.00 34.11 C ATOM 2017 C HIS A 130 -0.207 7.075 -17.034 1.00 21.23 C ATOM 2018 O HIS A 130 -0.516 5.994 -17.494 1.00 41.13 O ATOM 2019 CB HIS A 130 -2.164 8.644 -16.592 1.00 63.14 C ATOM 2020 CG HIS A 130 -1.696 9.746 -17.508 1.00 54.44 C ATOM 2021 ND1 HIS A 130 -1.444 9.550 -18.852 1.00 20.22 N ATOM 2022 CD2 HIS A 130 -1.479 11.055 -17.283 1.00 72.00 C ATOM 2023 CE1 HIS A 130 -1.097 10.688 -19.400 1.00 51.23 C ATOM 2024 NE2 HIS A 130 -1.108 11.619 -18.474 1.00 34.40 N ATOM 0 H HIS A 130 -0.082 9.376 -15.055 1.00 52.41 H new ATOM 0 HA HIS A 130 -1.623 6.965 -15.419 1.00 34.11 H new ATOM 0 HB2 HIS A 130 -2.850 8.008 -17.151 1.00 63.14 H new ATOM 0 HB3 HIS A 130 -2.737 9.097 -15.783 1.00 63.14 H new ATOM 0 HD2 HIS A 130 -1.579 11.566 -16.337 1.00 72.00 H new ATOM 0 HE1 HIS A 130 -0.844 10.836 -20.440 1.00 51.23 H new ATOM 0 HE2 HIS A 130 -0.878 12.602 -18.619 1.00 34.40 H new ATOM 2033 N ALA A 131 0.897 7.720 -17.401 1.00 42.33 N ATOM 2034 CA ALA A 131 1.763 7.201 -18.465 1.00 21.41 C ATOM 2035 C ALA A 131 2.414 5.900 -18.059 1.00 12.34 C ATOM 2036 O ALA A 131 2.401 4.920 -18.823 1.00 14.33 O ATOM 2037 CB ALA A 131 2.803 8.232 -18.873 1.00 0.43 C ATOM 0 H ALA A 131 1.214 8.595 -16.984 1.00 42.33 H new ATOM 0 HA ALA A 131 1.136 6.997 -19.333 1.00 21.41 H new ATOM 0 HB1 ALA A 131 3.432 7.822 -19.663 1.00 0.43 H new ATOM 0 HB2 ALA A 131 2.303 9.129 -19.237 1.00 0.43 H new ATOM 0 HB3 ALA A 131 3.421 8.485 -18.012 1.00 0.43 H new ATOM 2043 N GLU A 132 2.954 5.870 -16.852 1.00 42.24 N ATOM 2044 CA GLU A 132 3.585 4.682 -16.358 1.00 21.32 C ATOM 2045 C GLU A 132 2.569 3.556 -16.210 1.00 4.42 C ATOM 2046 O GLU A 132 2.852 2.418 -16.541 1.00 32.02 O ATOM 2047 CB GLU A 132 4.311 4.941 -15.045 1.00 62.15 C ATOM 2048 CG GLU A 132 5.448 5.943 -15.151 1.00 41.23 C ATOM 2049 CD GLU A 132 6.507 5.522 -16.138 1.00 50.32 C ATOM 2050 OE1 GLU A 132 7.386 4.712 -15.785 1.00 24.45 O ATOM 2051 OE2 GLU A 132 6.488 6.002 -17.277 1.00 55.42 O ATOM 0 H GLU A 132 2.962 6.659 -16.206 1.00 42.24 H new ATOM 0 HA GLU A 132 4.333 4.373 -17.088 1.00 21.32 H new ATOM 0 HB2 GLU A 132 3.592 5.301 -14.309 1.00 62.15 H new ATOM 0 HB3 GLU A 132 4.707 3.998 -14.669 1.00 62.15 H new ATOM 0 HG2 GLU A 132 5.046 6.912 -15.447 1.00 41.23 H new ATOM 0 HG3 GLU A 132 5.904 6.074 -14.170 1.00 41.23 H new ATOM 2058 N LYS A 133 1.357 3.908 -15.777 1.00 34.42 N ATOM 2059 CA LYS A 133 0.291 2.941 -15.572 1.00 53.43 C ATOM 2060 C LYS A 133 0.017 2.138 -16.854 1.00 14.43 C ATOM 2061 O LYS A 133 -0.165 0.904 -16.807 1.00 22.42 O ATOM 2062 CB LYS A 133 -0.995 3.656 -15.136 1.00 32.13 C ATOM 2063 CG LYS A 133 -2.179 2.738 -14.793 1.00 3.22 C ATOM 2064 CD LYS A 133 -2.145 2.152 -13.354 1.00 1.11 C ATOM 2065 CE LYS A 133 -0.884 1.359 -13.011 1.00 13.12 C ATOM 2066 NZ LYS A 133 -0.661 0.193 -13.892 1.00 13.42 N ATOM 0 H LYS A 133 1.093 4.869 -15.561 1.00 34.42 H new ATOM 0 HA LYS A 133 0.611 2.252 -14.790 1.00 53.43 H new ATOM 0 HB2 LYS A 133 -0.770 4.271 -14.265 1.00 32.13 H new ATOM 0 HB3 LYS A 133 -1.302 4.333 -15.933 1.00 32.13 H new ATOM 0 HG2 LYS A 133 -3.105 3.298 -14.922 1.00 3.22 H new ATOM 0 HG3 LYS A 133 -2.202 1.914 -15.507 1.00 3.22 H new ATOM 0 HD2 LYS A 133 -2.247 2.971 -12.642 1.00 1.11 H new ATOM 0 HD3 LYS A 133 -3.011 1.504 -13.221 1.00 1.11 H new ATOM 0 HE2 LYS A 133 -0.020 2.021 -13.073 1.00 13.12 H new ATOM 0 HE3 LYS A 133 -0.950 1.016 -11.978 1.00 13.12 H new ATOM 0 HZ1 LYS A 133 0.259 -0.238 -13.671 1.00 13.42 H new ATOM 0 HZ2 LYS A 133 -1.416 -0.506 -13.741 1.00 13.42 H new ATOM 0 HZ3 LYS A 133 -0.669 0.502 -14.885 1.00 13.42 H new ATOM 2080 N PHE A 134 -0.001 2.822 -17.982 1.00 63.22 N ATOM 2081 CA PHE A 134 -0.260 2.169 -19.240 1.00 40.41 C ATOM 2082 C PHE A 134 0.935 1.392 -19.754 1.00 73.53 C ATOM 2083 O PHE A 134 0.774 0.250 -20.186 1.00 10.12 O ATOM 2084 CB PHE A 134 -0.823 3.120 -20.299 1.00 62.52 C ATOM 2085 CG PHE A 134 -2.222 3.589 -20.002 1.00 21.01 C ATOM 2086 CD1 PHE A 134 -3.311 2.801 -20.340 1.00 52.04 C ATOM 2087 CD2 PHE A 134 -2.450 4.801 -19.386 1.00 4.14 C ATOM 2088 CE1 PHE A 134 -4.598 3.221 -20.068 1.00 51.44 C ATOM 2089 CE2 PHE A 134 -3.731 5.228 -19.112 1.00 3.41 C ATOM 2090 CZ PHE A 134 -4.807 4.437 -19.452 1.00 53.12 C ATOM 0 H PHE A 134 0.161 3.827 -18.048 1.00 63.22 H new ATOM 0 HA PHE A 134 -1.042 1.438 -19.034 1.00 40.41 H new ATOM 0 HB2 PHE A 134 -0.168 3.987 -20.382 1.00 62.52 H new ATOM 0 HB3 PHE A 134 -0.814 2.619 -21.267 1.00 62.52 H new ATOM 0 HD1 PHE A 134 -3.151 1.848 -20.822 1.00 52.04 H new ATOM 0 HD2 PHE A 134 -1.612 5.425 -19.114 1.00 4.14 H new ATOM 0 HE1 PHE A 134 -5.439 2.599 -20.337 1.00 51.44 H new ATOM 0 HE2 PHE A 134 -3.892 6.182 -18.631 1.00 3.41 H new ATOM 0 HZ PHE A 134 -5.812 4.769 -19.236 1.00 53.12 H new ATOM 2100 N VAL A 135 2.135 1.970 -19.686 1.00 2.32 N ATOM 2101 CA VAL A 135 3.322 1.259 -20.178 1.00 72.11 C ATOM 2102 C VAL A 135 3.535 -0.074 -19.414 1.00 34.14 C ATOM 2103 O VAL A 135 3.902 -1.081 -20.020 1.00 14.02 O ATOM 2104 CB VAL A 135 4.616 2.139 -20.181 1.00 31.20 C ATOM 2105 CG1 VAL A 135 5.027 2.543 -18.791 1.00 62.14 C ATOM 2106 CG2 VAL A 135 5.756 1.441 -20.900 1.00 74.42 C ATOM 0 H VAL A 135 2.312 2.900 -19.307 1.00 2.32 H new ATOM 0 HA VAL A 135 3.125 1.022 -21.223 1.00 72.11 H new ATOM 0 HB VAL A 135 4.377 3.051 -20.728 1.00 31.20 H new ATOM 0 HG11 VAL A 135 5.929 3.152 -18.841 1.00 62.14 H new ATOM 0 HG12 VAL A 135 4.226 3.119 -18.327 1.00 62.14 H new ATOM 0 HG13 VAL A 135 5.224 1.651 -18.196 1.00 62.14 H new ATOM 0 HG21 VAL A 135 6.640 2.078 -20.885 1.00 74.42 H new ATOM 0 HG22 VAL A 135 5.979 0.499 -20.400 1.00 74.42 H new ATOM 0 HG23 VAL A 135 5.469 1.244 -21.933 1.00 74.42 H new ATOM 2116 N GLU A 136 3.252 -0.078 -18.093 1.00 63.12 N ATOM 2117 CA GLU A 136 3.326 -1.308 -17.275 1.00 43.30 C ATOM 2118 C GLU A 136 2.387 -2.351 -17.863 1.00 30.11 C ATOM 2119 O GLU A 136 2.747 -3.519 -18.015 1.00 55.24 O ATOM 2120 CB GLU A 136 2.898 -1.024 -15.830 1.00 52.41 C ATOM 2121 CG GLU A 136 3.737 0.007 -15.097 1.00 43.33 C ATOM 2122 CD GLU A 136 3.153 0.360 -13.742 1.00 2.43 C ATOM 2123 OE1 GLU A 136 1.925 0.164 -13.560 1.00 1.43 O ATOM 2124 OE2 GLU A 136 3.903 0.831 -12.854 1.00 73.24 O ATOM 0 H GLU A 136 2.971 0.753 -17.572 1.00 63.12 H new ATOM 0 HA GLU A 136 4.355 -1.668 -17.278 1.00 43.30 H new ATOM 0 HB2 GLU A 136 1.861 -0.688 -15.835 1.00 52.41 H new ATOM 0 HB3 GLU A 136 2.928 -1.958 -15.269 1.00 52.41 H new ATOM 0 HG2 GLU A 136 4.749 -0.377 -14.966 1.00 43.33 H new ATOM 0 HG3 GLU A 136 3.814 0.909 -15.704 1.00 43.33 H new ATOM 2131 N THR A 137 1.202 -1.900 -18.222 1.00 4.31 N ATOM 2132 CA THR A 137 0.180 -2.751 -18.796 1.00 62.03 C ATOM 2133 C THR A 137 0.673 -3.373 -20.112 1.00 3.00 C ATOM 2134 O THR A 137 0.607 -4.592 -20.291 1.00 51.05 O ATOM 2135 CB THR A 137 -1.126 -1.955 -19.046 1.00 42.11 C ATOM 2136 OG1 THR A 137 -1.564 -1.345 -17.812 1.00 70.51 O ATOM 2137 CG2 THR A 137 -2.227 -2.872 -19.576 1.00 43.40 C ATOM 0 H THR A 137 0.919 -0.925 -18.123 1.00 4.31 H new ATOM 0 HA THR A 137 -0.030 -3.549 -18.084 1.00 62.03 H new ATOM 0 HB THR A 137 -0.924 -1.185 -19.791 1.00 42.11 H new ATOM 0 HG1 THR A 137 -0.982 -0.586 -17.598 1.00 70.51 H new ATOM 0 HG21 THR A 137 -3.134 -2.292 -19.744 1.00 43.40 H new ATOM 0 HG22 THR A 137 -1.905 -3.322 -20.515 1.00 43.40 H new ATOM 0 HG23 THR A 137 -2.428 -3.657 -18.847 1.00 43.40 H new ATOM 2145 N PHE A 138 1.196 -2.538 -21.009 1.00 21.32 N ATOM 2146 CA PHE A 138 1.703 -3.024 -22.285 1.00 22.31 C ATOM 2147 C PHE A 138 2.890 -3.955 -22.105 1.00 1.51 C ATOM 2148 O PHE A 138 3.058 -4.896 -22.870 1.00 44.14 O ATOM 2149 CB PHE A 138 2.030 -1.883 -23.257 1.00 50.15 C ATOM 2150 CG PHE A 138 0.821 -1.137 -23.750 1.00 65.41 C ATOM 2151 CD1 PHE A 138 0.076 -1.637 -24.802 1.00 73.24 C ATOM 2152 CD2 PHE A 138 0.433 0.056 -23.172 1.00 20.21 C ATOM 2153 CE1 PHE A 138 -1.034 -0.964 -25.265 1.00 23.51 C ATOM 2154 CE2 PHE A 138 -0.678 0.735 -23.630 1.00 52.41 C ATOM 2155 CZ PHE A 138 -1.411 0.221 -24.679 1.00 21.43 C ATOM 0 H PHE A 138 1.278 -1.530 -20.875 1.00 21.32 H new ATOM 0 HA PHE A 138 0.897 -3.603 -22.735 1.00 22.31 H new ATOM 0 HB2 PHE A 138 2.702 -1.181 -22.764 1.00 50.15 H new ATOM 0 HB3 PHE A 138 2.567 -2.291 -24.113 1.00 50.15 H new ATOM 0 HD1 PHE A 138 0.368 -2.567 -25.267 1.00 73.24 H new ATOM 0 HD2 PHE A 138 1.006 0.462 -22.352 1.00 20.21 H new ATOM 0 HE1 PHE A 138 -1.607 -1.367 -26.087 1.00 23.51 H new ATOM 0 HE2 PHE A 138 -0.972 1.666 -23.168 1.00 52.41 H new ATOM 0 HZ PHE A 138 -2.281 0.749 -25.040 1.00 21.43 H new ATOM 2165 N ARG A 139 3.720 -3.689 -21.104 1.00 43.43 N ATOM 2166 CA ARG A 139 4.839 -4.573 -20.796 1.00 61.05 C ATOM 2167 C ARG A 139 4.333 -5.931 -20.364 1.00 61.14 C ATOM 2168 O ARG A 139 4.722 -6.951 -20.924 1.00 63.31 O ATOM 2169 CB ARG A 139 5.748 -3.990 -19.712 1.00 20.13 C ATOM 2170 CG ARG A 139 6.503 -2.737 -20.120 1.00 72.12 C ATOM 2171 CD ARG A 139 7.388 -2.244 -18.988 1.00 14.54 C ATOM 2172 NE ARG A 139 8.364 -3.267 -18.572 1.00 45.43 N ATOM 2173 CZ ARG A 139 9.294 -3.104 -17.614 1.00 5.51 C ATOM 2174 NH1 ARG A 139 9.433 -1.926 -16.999 1.00 22.50 N ATOM 2175 NH2 ARG A 139 10.078 -4.119 -17.277 1.00 43.51 N ATOM 0 H ARG A 139 3.641 -2.875 -20.495 1.00 43.43 H new ATOM 0 HA ARG A 139 5.429 -4.676 -21.707 1.00 61.05 H new ATOM 0 HB2 ARG A 139 5.143 -3.763 -18.834 1.00 20.13 H new ATOM 0 HB3 ARG A 139 6.469 -4.751 -19.414 1.00 20.13 H new ATOM 0 HG2 ARG A 139 7.113 -2.945 -20.999 1.00 72.12 H new ATOM 0 HG3 ARG A 139 5.796 -1.956 -20.400 1.00 72.12 H new ATOM 0 HD2 ARG A 139 7.916 -1.345 -19.305 1.00 14.54 H new ATOM 0 HD3 ARG A 139 6.768 -1.966 -18.136 1.00 14.54 H new ATOM 0 HE ARG A 139 8.332 -4.169 -19.048 1.00 45.43 H new ATOM 0 HH11 ARG A 139 8.832 -1.143 -17.255 1.00 22.50 H new ATOM 0 HH12 ARG A 139 10.140 -1.810 -16.273 1.00 22.50 H new ATOM 0 HH21 ARG A 139 9.975 -5.020 -17.744 1.00 43.51 H new ATOM 0 HH22 ARG A 139 10.784 -3.999 -16.551 1.00 43.51 H new ATOM 2189 N LYS A 140 3.442 -5.931 -19.386 1.00 55.12 N ATOM 2190 CA LYS A 140 2.872 -7.169 -18.867 1.00 12.03 C ATOM 2191 C LYS A 140 2.111 -7.958 -19.921 1.00 71.53 C ATOM 2192 O LYS A 140 2.273 -9.170 -20.025 1.00 62.44 O ATOM 2193 CB LYS A 140 2.008 -6.918 -17.640 1.00 32.21 C ATOM 2194 CG LYS A 140 2.791 -6.416 -16.422 1.00 74.45 C ATOM 2195 CD LYS A 140 3.868 -7.413 -15.979 1.00 3.51 C ATOM 2196 CE LYS A 140 3.270 -8.760 -15.587 1.00 13.10 C ATOM 2197 NZ LYS A 140 4.304 -9.738 -15.197 1.00 73.12 N ATOM 0 H LYS A 140 3.095 -5.086 -18.933 1.00 55.12 H new ATOM 0 HA LYS A 140 3.717 -7.787 -18.564 1.00 12.03 H new ATOM 0 HB2 LYS A 140 1.239 -6.187 -17.892 1.00 32.21 H new ATOM 0 HB3 LYS A 140 1.494 -7.842 -17.374 1.00 32.21 H new ATOM 0 HG2 LYS A 140 3.258 -5.460 -16.660 1.00 74.45 H new ATOM 0 HG3 LYS A 140 2.102 -6.237 -15.597 1.00 74.45 H new ATOM 0 HD2 LYS A 140 4.585 -7.556 -16.787 1.00 3.51 H new ATOM 0 HD3 LYS A 140 4.419 -7.001 -15.134 1.00 3.51 H new ATOM 0 HE2 LYS A 140 2.575 -8.620 -14.759 1.00 13.10 H new ATOM 0 HE3 LYS A 140 2.694 -9.157 -16.423 1.00 13.10 H new ATOM 0 HZ1 LYS A 140 3.870 -10.677 -15.087 1.00 73.12 H new ATOM 0 HZ2 LYS A 140 5.037 -9.780 -15.933 1.00 73.12 H new ATOM 0 HZ3 LYS A 140 4.734 -9.448 -14.296 1.00 73.12 H new ATOM 2211 N MET A 141 1.299 -7.281 -20.705 1.00 1.10 N ATOM 2212 CA MET A 141 0.549 -7.953 -21.763 1.00 75.12 C ATOM 2213 C MET A 141 1.502 -8.554 -22.793 1.00 44.45 C ATOM 2214 O MET A 141 1.307 -9.686 -23.244 1.00 34.14 O ATOM 2215 CB MET A 141 -0.434 -6.999 -22.455 1.00 52.24 C ATOM 2216 CG MET A 141 -1.623 -6.477 -21.623 1.00 33.32 C ATOM 2217 SD MET A 141 -3.065 -7.607 -21.493 1.00 53.52 S ATOM 2218 CE MET A 141 -2.432 -9.012 -20.586 1.00 60.55 C ATOM 0 H MET A 141 1.137 -6.276 -20.637 1.00 1.10 H new ATOM 0 HA MET A 141 -0.028 -8.752 -21.297 1.00 75.12 H new ATOM 0 HB2 MET A 141 0.129 -6.138 -22.814 1.00 52.24 H new ATOM 0 HB3 MET A 141 -0.834 -7.507 -23.333 1.00 52.24 H new ATOM 0 HG2 MET A 141 -1.268 -6.254 -20.617 1.00 33.32 H new ATOM 0 HG3 MET A 141 -1.961 -5.536 -22.057 1.00 33.32 H new ATOM 0 HE1 MET A 141 -3.256 -9.527 -20.092 1.00 60.55 H new ATOM 0 HE2 MET A 141 -1.937 -9.696 -21.275 1.00 60.55 H new ATOM 0 HE3 MET A 141 -1.717 -8.670 -19.838 1.00 60.55 H new ATOM 2228 N LEU A 142 2.548 -7.806 -23.135 1.00 21.31 N ATOM 2229 CA LEU A 142 3.518 -8.256 -24.111 1.00 54.33 C ATOM 2230 C LEU A 142 4.256 -9.491 -23.608 1.00 3.01 C ATOM 2231 O LEU A 142 4.389 -10.466 -24.340 1.00 32.13 O ATOM 2232 CB LEU A 142 4.511 -7.143 -24.471 1.00 64.01 C ATOM 2233 CG LEU A 142 5.542 -7.474 -25.561 1.00 22.14 C ATOM 2234 CD1 LEU A 142 4.853 -7.788 -26.882 1.00 23.53 C ATOM 2235 CD2 LEU A 142 6.524 -6.329 -25.733 1.00 71.14 C ATOM 0 H LEU A 142 2.740 -6.883 -22.745 1.00 21.31 H new ATOM 0 HA LEU A 142 2.974 -8.522 -25.018 1.00 54.33 H new ATOM 0 HB2 LEU A 142 3.944 -6.269 -24.791 1.00 64.01 H new ATOM 0 HB3 LEU A 142 5.049 -6.859 -23.566 1.00 64.01 H new ATOM 0 HG LEU A 142 6.095 -8.359 -25.246 1.00 22.14 H new ATOM 0 HD11 LEU A 142 5.604 -8.019 -27.638 1.00 23.53 H new ATOM 0 HD12 LEU A 142 4.192 -8.645 -26.753 1.00 23.53 H new ATOM 0 HD13 LEU A 142 4.269 -6.925 -27.202 1.00 23.53 H new ATOM 0 HD21 LEU A 142 7.246 -6.582 -26.509 1.00 71.14 H new ATOM 0 HD22 LEU A 142 5.984 -5.427 -26.020 1.00 71.14 H new ATOM 0 HD23 LEU A 142 7.048 -6.155 -24.793 1.00 71.14 H new ATOM 2247 N GLU A 143 4.710 -9.464 -22.355 1.00 3.10 N ATOM 2248 CA GLU A 143 5.410 -10.615 -21.806 1.00 13.13 C ATOM 2249 C GLU A 143 4.493 -11.828 -21.663 1.00 33.44 C ATOM 2250 O GLU A 143 4.925 -12.944 -21.858 1.00 63.05 O ATOM 2251 CB GLU A 143 6.179 -10.308 -20.510 1.00 34.03 C ATOM 2252 CG GLU A 143 5.351 -9.728 -19.388 1.00 5.34 C ATOM 2253 CD GLU A 143 6.154 -9.526 -18.127 1.00 14.43 C ATOM 2254 OE1 GLU A 143 6.974 -8.594 -18.063 1.00 73.52 O ATOM 2255 OE2 GLU A 143 6.001 -10.309 -17.182 1.00 50.54 O ATOM 0 H GLU A 143 4.607 -8.675 -21.717 1.00 3.10 H new ATOM 0 HA GLU A 143 6.174 -10.873 -22.540 1.00 13.13 H new ATOM 0 HB2 GLU A 143 6.645 -11.228 -20.157 1.00 34.03 H new ATOM 0 HB3 GLU A 143 6.985 -9.612 -20.742 1.00 34.03 H new ATOM 0 HG2 GLU A 143 4.932 -8.773 -19.705 1.00 5.34 H new ATOM 0 HG3 GLU A 143 4.512 -10.391 -19.179 1.00 5.34 H new ATOM 2262 N TRP A 144 3.224 -11.604 -21.350 1.00 71.02 N ATOM 2263 CA TRP A 144 2.264 -12.707 -21.299 1.00 65.24 C ATOM 2264 C TRP A 144 1.969 -13.287 -22.680 1.00 44.41 C ATOM 2265 O TRP A 144 1.658 -14.477 -22.813 1.00 10.22 O ATOM 2266 CB TRP A 144 0.966 -12.350 -20.553 1.00 65.11 C ATOM 2267 CG TRP A 144 1.111 -12.354 -19.054 1.00 63.13 C ATOM 2268 CD1 TRP A 144 1.742 -13.304 -18.306 1.00 20.22 C ATOM 2269 CD2 TRP A 144 0.571 -11.411 -18.120 1.00 73.25 C ATOM 2270 NE1 TRP A 144 1.659 -12.996 -16.975 1.00 12.44 N ATOM 2271 CE2 TRP A 144 0.941 -11.839 -16.832 1.00 3.13 C ATOM 2272 CE3 TRP A 144 -0.173 -10.245 -18.247 1.00 71.13 C ATOM 2273 CZ2 TRP A 144 0.584 -11.141 -15.686 1.00 71.22 C ATOM 2274 CZ3 TRP A 144 -0.530 -9.551 -17.109 1.00 44.45 C ATOM 2275 CH2 TRP A 144 -0.150 -10.001 -15.843 1.00 71.42 C ATOM 0 H TRP A 144 2.836 -10.686 -21.130 1.00 71.02 H new ATOM 0 HA TRP A 144 2.753 -13.486 -20.714 1.00 65.24 H new ATOM 0 HB2 TRP A 144 0.632 -11.364 -20.875 1.00 65.11 H new ATOM 0 HB3 TRP A 144 0.188 -13.058 -20.836 1.00 65.11 H new ATOM 0 HD1 TRP A 144 2.237 -14.176 -18.707 1.00 20.22 H new ATOM 0 HE1 TRP A 144 2.066 -13.540 -16.214 1.00 12.44 H new ATOM 0 HE3 TRP A 144 -0.468 -9.887 -19.222 1.00 71.13 H new ATOM 0 HZ2 TRP A 144 0.877 -11.488 -14.706 1.00 71.22 H new ATOM 0 HZ3 TRP A 144 -1.112 -8.646 -17.199 1.00 44.45 H new ATOM 0 HH2 TRP A 144 -0.443 -9.436 -14.971 1.00 71.42 H new ATOM 2286 N ASN A 145 2.065 -12.464 -23.689 1.00 32.21 N ATOM 2287 CA ASN A 145 1.827 -12.905 -25.052 1.00 62.41 C ATOM 2288 C ASN A 145 3.062 -13.579 -25.636 1.00 74.05 C ATOM 2289 O ASN A 145 2.981 -14.669 -26.207 1.00 20.22 O ATOM 2290 CB ASN A 145 1.393 -11.717 -25.937 1.00 0.31 C ATOM 2291 CG ASN A 145 1.160 -12.098 -27.397 1.00 1.12 C ATOM 2292 OD1 ASN A 145 0.054 -12.496 -27.783 1.00 42.22 O ATOM 2293 ND2 ASN A 145 2.158 -11.938 -28.223 1.00 74.03 N ATOM 0 H ASN A 145 2.307 -11.477 -23.600 1.00 32.21 H new ATOM 0 HA ASN A 145 1.021 -13.638 -25.031 1.00 62.41 H new ATOM 0 HB2 ASN A 145 0.477 -11.288 -25.531 1.00 0.31 H new ATOM 0 HB3 ASN A 145 2.157 -10.941 -25.890 1.00 0.31 H new ATOM 0 HD21 ASN A 145 2.037 -12.143 -29.215 1.00 74.03 H new ATOM 0 HD22 ASN A 145 3.059 -11.608 -27.877 1.00 74.03 H new ATOM 2300 N LYS A 146 4.196 -12.943 -25.459 1.00 44.35 N ATOM 2301 CA LYS A 146 5.444 -13.392 -26.052 1.00 61.44 C ATOM 2302 C LYS A 146 6.068 -14.538 -25.257 1.00 30.41 C ATOM 2303 O LYS A 146 6.699 -15.437 -25.836 1.00 52.14 O ATOM 2304 CB LYS A 146 6.415 -12.200 -26.105 1.00 3.31 C ATOM 2305 CG LYS A 146 7.752 -12.465 -26.777 1.00 50.13 C ATOM 2306 CD LYS A 146 8.646 -11.234 -26.680 1.00 25.13 C ATOM 2307 CE LYS A 146 9.969 -11.429 -27.401 1.00 73.23 C ATOM 2308 NZ LYS A 146 9.786 -11.636 -28.854 1.00 13.03 N ATOM 0 H LYS A 146 4.285 -12.096 -24.898 1.00 44.35 H new ATOM 0 HA LYS A 146 5.241 -13.767 -27.055 1.00 61.44 H new ATOM 0 HB2 LYS A 146 5.924 -11.379 -26.627 1.00 3.31 H new ATOM 0 HB3 LYS A 146 6.603 -11.863 -25.086 1.00 3.31 H new ATOM 0 HG2 LYS A 146 8.242 -13.317 -26.305 1.00 50.13 H new ATOM 0 HG3 LYS A 146 7.595 -12.727 -27.823 1.00 50.13 H new ATOM 0 HD2 LYS A 146 8.126 -10.375 -27.104 1.00 25.13 H new ATOM 0 HD3 LYS A 146 8.836 -11.006 -25.631 1.00 25.13 H new ATOM 0 HE2 LYS A 146 10.603 -10.558 -27.236 1.00 73.23 H new ATOM 0 HE3 LYS A 146 10.490 -12.287 -26.976 1.00 73.23 H new ATOM 0 HZ1 LYS A 146 10.703 -11.545 -29.336 1.00 13.03 H new ATOM 0 HZ2 LYS A 146 9.399 -12.586 -29.023 1.00 13.03 H new ATOM 0 HZ3 LYS A 146 9.127 -10.922 -29.226 1.00 13.03 H new ATOM 2322 N ASN A 147 5.862 -14.539 -23.957 1.00 64.12 N ATOM 2323 CA ASN A 147 6.497 -15.528 -23.099 1.00 62.43 C ATOM 2324 C ASN A 147 5.484 -16.400 -22.401 1.00 43.44 C ATOM 2325 O ASN A 147 4.674 -15.917 -21.596 1.00 23.24 O ATOM 2326 CB ASN A 147 7.409 -14.870 -22.042 1.00 44.24 C ATOM 2327 CG ASN A 147 8.574 -14.101 -22.629 1.00 1.24 C ATOM 2328 OD1 ASN A 147 9.066 -14.417 -23.708 1.00 62.31 O ATOM 2329 ND2 ASN A 147 9.032 -13.103 -21.918 1.00 51.21 N ATOM 0 H ASN A 147 5.264 -13.872 -23.469 1.00 64.12 H new ATOM 0 HA ASN A 147 7.106 -16.149 -23.756 1.00 62.43 H new ATOM 0 HB2 ASN A 147 6.811 -14.194 -21.431 1.00 44.24 H new ATOM 0 HB3 ASN A 147 7.795 -15.643 -21.377 1.00 44.24 H new ATOM 0 HD21 ASN A 147 9.825 -12.557 -22.256 1.00 51.21 H new ATOM 0 HD22 ASN A 147 8.596 -12.870 -21.025 1.00 51.21 H new ATOM 2336 N PRO A 148 5.501 -17.711 -22.680 1.00 61.24 N ATOM 2337 CA PRO A 148 4.619 -18.674 -22.009 1.00 44.23 C ATOM 2338 C PRO A 148 4.944 -18.749 -20.516 1.00 42.04 C ATOM 2339 O PRO A 148 4.068 -18.987 -19.683 1.00 41.21 O ATOM 2340 CB PRO A 148 4.956 -20.010 -22.683 1.00 60.11 C ATOM 2341 CG PRO A 148 5.630 -19.643 -23.959 1.00 50.23 C ATOM 2342 CD PRO A 148 6.357 -18.365 -23.688 1.00 45.12 C ATOM 0 HA PRO A 148 3.566 -18.405 -22.090 1.00 44.23 H new ATOM 0 HB2 PRO A 148 5.608 -20.616 -22.053 1.00 60.11 H new ATOM 0 HB3 PRO A 148 4.056 -20.596 -22.867 1.00 60.11 H new ATOM 0 HG2 PRO A 148 6.320 -20.425 -24.275 1.00 50.23 H new ATOM 0 HG3 PRO A 148 4.903 -19.516 -24.762 1.00 50.23 H new ATOM 0 HD2 PRO A 148 7.363 -18.544 -23.309 1.00 45.12 H new ATOM 0 HD3 PRO A 148 6.458 -17.758 -24.588 1.00 45.12 H new ATOM 2350 N ASN A 149 6.209 -18.478 -20.201 1.00 13.20 N ATOM 2351 CA ASN A 149 6.739 -18.527 -18.832 1.00 65.10 C ATOM 2352 C ASN A 149 6.254 -17.347 -17.978 1.00 43.11 C ATOM 2353 O ASN A 149 6.540 -17.282 -16.771 1.00 0.51 O ATOM 2354 CB ASN A 149 8.283 -18.579 -18.860 1.00 61.33 C ATOM 2355 CG ASN A 149 8.919 -17.372 -19.551 1.00 74.14 C ATOM 2356 OD1 ASN A 149 9.100 -17.373 -20.767 1.00 4.23 O ATOM 2357 ND2 ASN A 149 9.277 -16.359 -18.796 1.00 75.44 N ATOM 0 H ASN A 149 6.907 -18.214 -20.896 1.00 13.20 H new ATOM 0 HA ASN A 149 6.358 -19.436 -18.366 1.00 65.10 H new ATOM 0 HB2 ASN A 149 8.656 -18.641 -17.838 1.00 61.33 H new ATOM 0 HB3 ASN A 149 8.599 -19.489 -19.370 1.00 61.33 H new ATOM 0 HD21 ASN A 149 9.719 -15.541 -19.216 1.00 75.44 H new ATOM 0 HD22 ASN A 149 9.113 -16.390 -17.790 1.00 75.44 H new ATOM 2364 N GLY A 150 5.534 -16.412 -18.602 1.00 2.22 N ATOM 2365 CA GLY A 150 4.976 -15.292 -17.862 1.00 25.15 C ATOM 2366 C GLY A 150 3.849 -15.761 -16.964 1.00 33.34 C ATOM 2367 O GLY A 150 3.581 -15.183 -15.914 1.00 14.14 O ATOM 0 H GLY A 150 5.329 -16.412 -19.601 1.00 2.22 H new ATOM 0 HA2 GLY A 150 5.755 -14.820 -17.263 1.00 25.15 H new ATOM 0 HA3 GLY A 150 4.606 -14.537 -18.556 1.00 25.15 H new