USER MOD reduce.3.24.130724 H: found=0, std=0, add=1136, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1136 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 103 GLN : amide:sc= 0 K(o=-0.19,f=-0.95) USER MOD Set 1.2: A 107 LYS NZ :NH3+ 162:sc= -0.189 (180deg=-0.5) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -0.0633 K(o=-0.063,f=-0.64) USER MOD Single : A 19 THR OG1 : rot 74:sc= 1.27 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl -171:sc= 0 (180deg=-0.164) USER MOD Single : A 45 LYS NZ :NH3+ 156:sc= 0.00235 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 87:sc= 1.19 USER MOD Single : A 57 THR OG1 : rot -36:sc= -0.58 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot -56:sc= -0.113 USER MOD Single : A 70 HIS : no HD1:sc= 0.00875 K(o=0.0087,f=-1) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN :FLIP amide:sc= -0.0484 F(o=-1.3,f=-0.048) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= -0.188 K(o=-0.19,f=-1.7!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 MET CE :methyl -162:sc= -3.33 (180deg=-4.99!) USER MOD Single : A 92 LYS NZ :NH3+ -177:sc=-0.00131 (180deg=-0.0103) USER MOD Single : A 95 GLN : amide:sc= -0.144 K(o=-0.14,f=-1.7!) USER MOD Single : A 96 GLN : amide:sc= -0.106 X(o=-0.11,f=0) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl -126:sc=-0.00357 (180deg=-2.36!) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 61:sc= 0.48 USER MOD Single : A 104 GLN : amide:sc= 0.171 K(o=0.17,f=-3.2!) USER MOD Single : A 106 TYR OH : rot -127:sc= 0.677 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 GLN : amide:sc= -0.848 X(o=-0.85,f=-1) USER MOD Single : A 110 MET CE :methyl 141:sc= -0.429 (180deg=-1.55!) USER MOD Single : A 112 THR OG1 : rot 180:sc= 0.0313 USER MOD Single : A 115 HIS : no HE2:sc= 0.00478 X(o=0.0048,f=-0.053) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 ASN : amide:sc= -0.223 K(o=-0.22,f=-2!) USER MOD Single : A 130 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 135 MET CE :methyl -167:sc= 0 (180deg=-0.256) USER MOD Single : A 137 SER OG : rot 180:sc= 0 USER MOD Single : A 171 THR OG1 : rot 180:sc= 0.0292 USER MOD Single : A 178 MET CE :methyl -154:sc= -0.133 (180deg=-1.23) USER MOD Single : A 180 SER OG : rot 180:sc= 0.0264 USER MOD Single : A 182 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 122 N ASP A 12 5.684 12.706 -13.681 1.00 21.14 N ATOM 123 CA ASP A 12 4.639 13.656 -14.044 1.00 33.43 C ATOM 124 C ASP A 12 4.736 14.921 -13.197 1.00 32.32 C ATOM 125 O ASP A 12 4.413 16.016 -13.658 1.00 31.24 O ATOM 126 CB ASP A 12 3.259 13.018 -13.874 1.00 20.34 C ATOM 127 CG ASP A 12 2.820 12.251 -15.105 1.00 72.14 C ATOM 128 OD1 ASP A 12 2.592 12.892 -16.152 1.00 75.45 O ATOM 129 OD2 ASP A 12 2.704 11.010 -15.022 1.00 54.02 O ATOM 0 HA ASP A 12 4.778 13.929 -15.090 1.00 33.43 H new ATOM 0 HB2 ASP A 12 3.276 12.345 -13.017 1.00 20.34 H new ATOM 0 HB3 ASP A 12 2.527 13.795 -13.654 1.00 20.34 H new ATOM 134 N LYS A 13 5.182 14.763 -11.955 1.00 72.52 N ATOM 135 CA LYS A 13 5.322 15.891 -11.043 1.00 21.15 C ATOM 136 C LYS A 13 6.451 16.814 -11.489 1.00 3.35 C ATOM 137 O LYS A 13 6.361 18.034 -11.349 1.00 51.12 O ATOM 138 CB LYS A 13 5.588 15.393 -9.620 1.00 71.11 C ATOM 139 CG LYS A 13 6.049 16.484 -8.670 1.00 3.22 C ATOM 140 CD LYS A 13 5.332 16.400 -7.333 1.00 74.12 C ATOM 141 CE LYS A 13 5.764 15.173 -6.545 1.00 75.21 C ATOM 142 NZ LYS A 13 5.279 15.218 -5.138 1.00 11.52 N ATOM 0 H LYS A 13 5.453 13.864 -11.557 1.00 72.52 H new ATOM 0 HA LYS A 13 4.389 16.454 -11.056 1.00 21.15 H new ATOM 0 HB2 LYS A 13 4.678 14.941 -9.226 1.00 71.11 H new ATOM 0 HB3 LYS A 13 6.344 14.609 -9.654 1.00 71.11 H new ATOM 0 HG2 LYS A 13 7.124 16.400 -8.513 1.00 3.22 H new ATOM 0 HG3 LYS A 13 5.868 17.460 -9.120 1.00 3.22 H new ATOM 0 HD2 LYS A 13 5.538 17.298 -6.751 1.00 74.12 H new ATOM 0 HD3 LYS A 13 4.255 16.367 -7.498 1.00 74.12 H new ATOM 0 HE2 LYS A 13 5.382 14.276 -7.032 1.00 75.21 H new ATOM 0 HE3 LYS A 13 6.852 15.101 -6.552 1.00 75.21 H new ATOM 0 HZ1 LYS A 13 5.594 14.364 -4.635 1.00 11.52 H new ATOM 0 HZ2 LYS A 13 5.664 16.061 -4.665 1.00 11.52 H new ATOM 0 HZ3 LYS A 13 4.240 15.261 -5.130 1.00 11.52 H new ATOM 156 N VAL A 14 7.514 16.225 -12.027 1.00 22.32 N ATOM 157 CA VAL A 14 8.660 16.995 -12.496 1.00 31.22 C ATOM 158 C VAL A 14 8.282 17.876 -13.681 1.00 13.32 C ATOM 159 O VAL A 14 8.635 19.055 -13.729 1.00 32.11 O ATOM 160 CB VAL A 14 9.825 16.074 -12.906 1.00 11.51 C ATOM 161 CG1 VAL A 14 10.996 16.894 -13.426 1.00 53.31 C ATOM 162 CG2 VAL A 14 10.252 15.203 -11.735 1.00 23.22 C ATOM 0 H VAL A 14 7.605 15.216 -12.149 1.00 22.32 H new ATOM 0 HA VAL A 14 8.979 17.625 -11.666 1.00 31.22 H new ATOM 0 HB VAL A 14 9.484 15.421 -13.710 1.00 11.51 H new ATOM 0 HG11 VAL A 14 11.809 16.227 -13.711 1.00 53.31 H new ATOM 0 HG12 VAL A 14 10.679 17.471 -14.295 1.00 53.31 H new ATOM 0 HG13 VAL A 14 11.340 17.573 -12.646 1.00 53.31 H new ATOM 0 HG21 VAL A 14 11.076 14.559 -12.042 1.00 23.22 H new ATOM 0 HG22 VAL A 14 10.575 15.837 -10.909 1.00 23.22 H new ATOM 0 HG23 VAL A 14 9.411 14.588 -11.413 1.00 23.22 H new ATOM 172 N TYR A 15 7.561 17.298 -14.635 1.00 22.20 N ATOM 173 CA TYR A 15 7.136 18.030 -15.822 1.00 10.11 C ATOM 174 C TYR A 15 6.100 19.092 -15.465 1.00 22.10 C ATOM 175 O TYR A 15 5.926 20.072 -16.189 1.00 30.25 O ATOM 176 CB TYR A 15 6.559 17.068 -16.861 1.00 73.42 C ATOM 177 CG TYR A 15 5.910 17.763 -18.036 1.00 52.43 C ATOM 178 CD1 TYR A 15 6.563 18.789 -18.708 1.00 50.34 C ATOM 179 CD2 TYR A 15 4.643 17.396 -18.474 1.00 24.10 C ATOM 180 CE1 TYR A 15 5.974 19.428 -19.782 1.00 51.52 C ATOM 181 CE2 TYR A 15 4.047 18.028 -19.548 1.00 3.44 C ATOM 182 CZ TYR A 15 4.716 19.044 -20.198 1.00 42.13 C ATOM 183 OH TYR A 15 4.125 19.678 -21.267 1.00 62.33 O ATOM 0 H TYR A 15 7.258 16.324 -14.609 1.00 22.20 H new ATOM 0 HA TYR A 15 8.010 18.527 -16.243 1.00 10.11 H new ATOM 0 HB2 TYR A 15 7.356 16.422 -17.227 1.00 73.42 H new ATOM 0 HB3 TYR A 15 5.823 16.424 -16.379 1.00 73.42 H new ATOM 0 HD1 TYR A 15 7.548 19.092 -18.385 1.00 50.34 H new ATOM 0 HD2 TYR A 15 4.115 16.603 -17.966 1.00 24.10 H new ATOM 0 HE1 TYR A 15 6.496 20.224 -20.293 1.00 51.52 H new ATOM 0 HE2 TYR A 15 3.063 17.728 -19.877 1.00 3.44 H new ATOM 0 HH TYR A 15 3.241 19.287 -21.431 1.00 62.33 H new ATOM 193 N GLU A 16 5.416 18.889 -14.343 1.00 62.43 N ATOM 194 CA GLU A 16 4.397 19.828 -13.890 1.00 4.02 C ATOM 195 C GLU A 16 5.028 20.983 -13.116 1.00 73.51 C ATOM 196 O GLU A 16 4.793 22.150 -13.423 1.00 15.44 O ATOM 197 CB GLU A 16 3.368 19.114 -13.012 1.00 74.51 C ATOM 198 CG GLU A 16 2.590 20.049 -12.101 1.00 64.03 C ATOM 199 CD GLU A 16 1.150 19.615 -11.911 1.00 61.31 C ATOM 200 OE1 GLU A 16 0.913 18.679 -11.119 1.00 21.40 O ATOM 201 OE2 GLU A 16 0.260 20.210 -12.554 1.00 4.02 O ATOM 0 H GLU A 16 5.549 18.083 -13.732 1.00 62.43 H new ATOM 0 HA GLU A 16 3.895 20.233 -14.769 1.00 4.02 H new ATOM 0 HB2 GLU A 16 2.667 18.578 -13.652 1.00 74.51 H new ATOM 0 HB3 GLU A 16 3.878 18.368 -12.402 1.00 74.51 H new ATOM 0 HG2 GLU A 16 3.082 20.096 -11.130 1.00 64.03 H new ATOM 0 HG3 GLU A 16 2.610 21.056 -12.518 1.00 64.03 H new ATOM 208 N ASN A 17 5.829 20.646 -12.111 1.00 23.41 N ATOM 209 CA ASN A 17 6.493 21.653 -11.292 1.00 10.41 C ATOM 210 C ASN A 17 7.204 22.683 -12.166 1.00 33.45 C ATOM 211 O ASN A 17 7.035 23.889 -11.985 1.00 25.44 O ATOM 212 CB ASN A 17 7.496 20.991 -10.345 1.00 44.34 C ATOM 213 CG ASN A 17 7.456 21.587 -8.951 1.00 72.22 C ATOM 214 OD1 ASN A 17 8.433 22.173 -8.486 1.00 1.21 O ATOM 215 ND2 ASN A 17 6.321 21.438 -8.277 1.00 62.04 N ATOM 0 H ASN A 17 6.034 19.683 -11.844 1.00 23.41 H new ATOM 0 HA ASN A 17 5.732 22.166 -10.703 1.00 10.41 H new ATOM 0 HB2 ASN A 17 7.286 19.923 -10.287 1.00 44.34 H new ATOM 0 HB3 ASN A 17 8.501 21.096 -10.753 1.00 44.34 H new ATOM 0 HD21 ASN A 17 6.234 21.817 -7.334 1.00 62.04 H new ATOM 0 HD22 ASN A 17 5.536 20.945 -8.702 1.00 62.04 H new ATOM 222 N VAL A 18 7.999 22.198 -13.114 1.00 74.42 N ATOM 223 CA VAL A 18 8.734 23.075 -14.018 1.00 31.54 C ATOM 224 C VAL A 18 7.787 23.984 -14.792 1.00 51.04 C ATOM 225 O VAL A 18 8.187 25.038 -15.289 1.00 32.31 O ATOM 226 CB VAL A 18 9.584 22.266 -15.016 1.00 54.42 C ATOM 227 CG1 VAL A 18 10.701 21.530 -14.293 1.00 43.23 C ATOM 228 CG2 VAL A 18 8.710 21.294 -15.794 1.00 53.22 C ATOM 0 H VAL A 18 8.151 21.202 -13.276 1.00 74.42 H new ATOM 0 HA VAL A 18 9.394 23.685 -13.401 1.00 31.54 H new ATOM 0 HB VAL A 18 10.038 22.959 -15.725 1.00 54.42 H new ATOM 0 HG11 VAL A 18 11.290 20.964 -15.014 1.00 43.23 H new ATOM 0 HG12 VAL A 18 11.343 22.250 -13.786 1.00 43.23 H new ATOM 0 HG13 VAL A 18 10.272 20.847 -13.560 1.00 43.23 H new ATOM 0 HG21 VAL A 18 9.327 20.731 -16.494 1.00 53.22 H new ATOM 0 HG22 VAL A 18 8.226 20.605 -15.101 1.00 53.22 H new ATOM 0 HG23 VAL A 18 7.950 21.849 -16.344 1.00 53.22 H new ATOM 238 N THR A 19 6.527 23.570 -14.892 1.00 44.54 N ATOM 239 CA THR A 19 5.522 24.347 -15.607 1.00 44.02 C ATOM 240 C THR A 19 4.834 25.342 -14.680 1.00 4.21 C ATOM 241 O THR A 19 4.692 26.518 -15.011 1.00 50.42 O ATOM 242 CB THR A 19 4.457 23.436 -16.245 1.00 31.51 C ATOM 243 OG1 THR A 19 5.089 22.423 -17.036 1.00 55.14 O ATOM 244 CG2 THR A 19 3.503 24.243 -17.112 1.00 60.13 C ATOM 0 H THR A 19 6.179 22.701 -14.487 1.00 44.54 H new ATOM 0 HA THR A 19 6.044 24.890 -16.395 1.00 44.02 H new ATOM 0 HB THR A 19 3.885 22.967 -15.444 1.00 31.51 H new ATOM 0 HG1 THR A 19 5.497 21.755 -16.447 1.00 55.14 H new ATOM 0 HG21 THR A 19 2.760 23.578 -17.552 1.00 60.13 H new ATOM 0 HG22 THR A 19 3.002 24.993 -16.500 1.00 60.13 H new ATOM 0 HG23 THR A 19 4.063 24.737 -17.906 1.00 60.13 H new ATOM 252 N GLY A 20 4.409 24.862 -13.515 1.00 3.41 N ATOM 253 CA GLY A 20 3.741 25.724 -12.557 1.00 44.10 C ATOM 254 C GLY A 20 4.482 27.028 -12.335 1.00 60.03 C ATOM 255 O GLY A 20 3.897 28.107 -12.431 1.00 55.43 O ATOM 0 H GLY A 20 4.515 23.892 -13.218 1.00 3.41 H new ATOM 0 HA2 GLY A 20 2.732 25.938 -12.908 1.00 44.10 H new ATOM 0 HA3 GLY A 20 3.643 25.199 -11.607 1.00 44.10 H new ATOM 259 N LEU A 21 5.773 26.930 -12.036 1.00 74.21 N ATOM 260 CA LEU A 21 6.595 28.111 -11.798 1.00 52.20 C ATOM 261 C LEU A 21 6.447 29.116 -12.936 1.00 71.11 C ATOM 262 O LEU A 21 6.508 30.327 -12.721 1.00 62.45 O ATOM 263 CB LEU A 21 8.063 27.712 -11.643 1.00 22.14 C ATOM 264 CG LEU A 21 8.634 26.813 -12.740 1.00 42.42 C ATOM 265 CD1 LEU A 21 9.161 27.651 -13.895 1.00 74.35 C ATOM 266 CD2 LEU A 21 9.733 25.922 -12.181 1.00 64.44 C ATOM 0 H LEU A 21 6.273 26.045 -11.953 1.00 74.21 H new ATOM 0 HA LEU A 21 6.253 28.581 -10.876 1.00 52.20 H new ATOM 0 HB2 LEU A 21 8.663 28.621 -11.597 1.00 22.14 H new ATOM 0 HB3 LEU A 21 8.181 27.203 -10.686 1.00 22.14 H new ATOM 0 HG LEU A 21 7.833 26.176 -13.115 1.00 42.42 H new ATOM 0 HD11 LEU A 21 9.564 26.995 -14.667 1.00 74.35 H new ATOM 0 HD12 LEU A 21 8.349 28.247 -14.313 1.00 74.35 H new ATOM 0 HD13 LEU A 21 9.948 28.313 -13.535 1.00 74.35 H new ATOM 0 HD21 LEU A 21 10.128 25.289 -12.976 1.00 64.44 H new ATOM 0 HD22 LEU A 21 10.534 26.542 -11.779 1.00 64.44 H new ATOM 0 HD23 LEU A 21 9.325 25.296 -11.387 1.00 64.44 H new ATOM 278 N VAL A 22 6.250 28.605 -14.148 1.00 14.45 N ATOM 279 CA VAL A 22 6.089 29.458 -15.320 1.00 22.35 C ATOM 280 C VAL A 22 4.843 30.327 -15.200 1.00 54.23 C ATOM 281 O VAL A 22 4.900 31.543 -15.384 1.00 1.33 O ATOM 282 CB VAL A 22 5.999 28.624 -16.612 1.00 13.24 C ATOM 283 CG1 VAL A 22 6.068 29.526 -17.835 1.00 23.32 C ATOM 284 CG2 VAL A 22 7.101 27.577 -16.648 1.00 23.34 C ATOM 0 H VAL A 22 6.198 27.605 -14.344 1.00 14.45 H new ATOM 0 HA VAL A 22 6.970 30.098 -15.370 1.00 22.35 H new ATOM 0 HB VAL A 22 5.039 28.108 -16.625 1.00 13.24 H new ATOM 0 HG11 VAL A 22 6.003 28.920 -18.738 1.00 23.32 H new ATOM 0 HG12 VAL A 22 5.239 30.234 -17.812 1.00 23.32 H new ATOM 0 HG13 VAL A 22 7.011 30.072 -17.832 1.00 23.32 H new ATOM 0 HG21 VAL A 22 7.022 26.997 -17.568 1.00 23.34 H new ATOM 0 HG22 VAL A 22 8.073 28.070 -16.612 1.00 23.34 H new ATOM 0 HG23 VAL A 22 7.000 26.912 -15.790 1.00 23.34 H new ATOM 294 N LYS A 23 3.715 29.696 -14.891 1.00 61.22 N ATOM 295 CA LYS A 23 2.453 30.411 -14.745 1.00 33.40 C ATOM 296 C LYS A 23 2.602 31.587 -13.786 1.00 53.50 C ATOM 297 O LYS A 23 2.035 32.657 -14.008 1.00 72.23 O ATOM 298 CB LYS A 23 1.362 29.463 -14.241 1.00 12.12 C ATOM 299 CG LYS A 23 1.261 28.173 -15.036 1.00 43.13 C ATOM 300 CD LYS A 23 0.033 27.370 -14.644 1.00 13.05 C ATOM 301 CE LYS A 23 0.249 25.880 -14.857 1.00 23.32 C ATOM 302 NZ LYS A 23 -1.036 25.155 -15.057 1.00 53.54 N ATOM 0 H LYS A 23 3.649 28.690 -14.737 1.00 61.22 H new ATOM 0 HA LYS A 23 2.167 30.797 -15.723 1.00 33.40 H new ATOM 0 HB2 LYS A 23 1.557 29.221 -13.196 1.00 12.12 H new ATOM 0 HB3 LYS A 23 0.402 29.977 -14.276 1.00 12.12 H new ATOM 0 HG2 LYS A 23 1.221 28.403 -16.101 1.00 43.13 H new ATOM 0 HG3 LYS A 23 2.156 27.573 -14.873 1.00 43.13 H new ATOM 0 HD2 LYS A 23 -0.207 27.558 -13.597 1.00 13.05 H new ATOM 0 HD3 LYS A 23 -0.823 27.702 -15.232 1.00 13.05 H new ATOM 0 HE2 LYS A 23 0.891 25.727 -15.724 1.00 23.32 H new ATOM 0 HE3 LYS A 23 0.771 25.462 -13.996 1.00 23.32 H new ATOM 0 HZ1 LYS A 23 -0.845 24.143 -15.199 1.00 53.54 H new ATOM 0 HZ2 LYS A 23 -1.639 25.280 -14.219 1.00 53.54 H new ATOM 0 HZ3 LYS A 23 -1.523 25.536 -15.893 1.00 53.54 H new ATOM 316 N ALA A 24 3.369 31.383 -12.720 1.00 72.03 N ATOM 317 CA ALA A 24 3.595 32.428 -11.730 1.00 11.31 C ATOM 318 C ALA A 24 4.474 33.539 -12.295 1.00 23.23 C ATOM 319 O ALA A 24 4.190 34.723 -12.113 1.00 74.35 O ATOM 320 CB ALA A 24 4.225 31.840 -10.476 1.00 34.01 C ATOM 0 H ALA A 24 3.844 30.503 -12.520 1.00 72.03 H new ATOM 0 HA ALA A 24 2.630 32.862 -11.469 1.00 11.31 H new ATOM 0 HB1 ALA A 24 4.388 32.632 -9.745 1.00 34.01 H new ATOM 0 HB2 ALA A 24 3.560 31.087 -10.053 1.00 34.01 H new ATOM 0 HB3 ALA A 24 5.179 31.379 -10.730 1.00 34.01 H new ATOM 326 N VAL A 25 5.545 33.149 -12.980 1.00 12.15 N ATOM 327 CA VAL A 25 6.466 34.112 -13.571 1.00 60.13 C ATOM 328 C VAL A 25 5.723 35.120 -14.441 1.00 3.22 C ATOM 329 O VAL A 25 6.158 36.262 -14.594 1.00 22.01 O ATOM 330 CB VAL A 25 7.541 33.410 -14.422 1.00 41.23 C ATOM 331 CG1 VAL A 25 8.471 34.433 -15.058 1.00 32.24 C ATOM 332 CG2 VAL A 25 8.325 32.417 -13.577 1.00 52.51 C ATOM 0 H VAL A 25 5.796 32.173 -13.139 1.00 12.15 H new ATOM 0 HA VAL A 25 6.950 34.635 -12.746 1.00 60.13 H new ATOM 0 HB VAL A 25 7.045 32.859 -15.221 1.00 41.23 H new ATOM 0 HG11 VAL A 25 9.224 33.919 -15.655 1.00 32.24 H new ATOM 0 HG12 VAL A 25 7.894 35.101 -15.698 1.00 32.24 H new ATOM 0 HG13 VAL A 25 8.962 35.013 -14.277 1.00 32.24 H new ATOM 0 HG21 VAL A 25 9.080 31.930 -14.194 1.00 52.51 H new ATOM 0 HG22 VAL A 25 8.812 32.943 -12.756 1.00 52.51 H new ATOM 0 HG23 VAL A 25 7.646 31.665 -13.175 1.00 52.51 H new ATOM 342 N ILE A 26 4.601 34.691 -15.008 1.00 31.25 N ATOM 343 CA ILE A 26 3.797 35.557 -15.861 1.00 33.14 C ATOM 344 C ILE A 26 2.796 36.362 -15.039 1.00 34.11 C ATOM 345 O ILE A 26 2.749 37.588 -15.128 1.00 0.21 O ATOM 346 CB ILE A 26 3.035 34.747 -16.927 1.00 4.31 C ATOM 347 CG1 ILE A 26 3.992 33.810 -17.666 1.00 63.22 C ATOM 348 CG2 ILE A 26 2.340 35.682 -17.905 1.00 52.11 C ATOM 349 CD1 ILE A 26 5.054 34.535 -18.462 1.00 42.44 C ATOM 0 H ILE A 26 4.228 33.749 -14.892 1.00 31.25 H new ATOM 0 HA ILE A 26 4.487 36.239 -16.359 1.00 33.14 H new ATOM 0 HB ILE A 26 2.276 34.143 -16.430 1.00 4.31 H new ATOM 0 HG12 ILE A 26 4.476 33.154 -16.942 1.00 63.22 H new ATOM 0 HG13 ILE A 26 3.417 33.173 -18.338 1.00 63.22 H new ATOM 0 HG21 ILE A 26 1.806 35.095 -18.652 1.00 52.11 H new ATOM 0 HG22 ILE A 26 1.633 36.313 -17.366 1.00 52.11 H new ATOM 0 HG23 ILE A 26 3.082 36.309 -18.399 1.00 52.11 H new ATOM 0 HD11 ILE A 26 5.696 33.808 -18.959 1.00 42.44 H new ATOM 0 HD12 ILE A 26 4.578 35.170 -19.209 1.00 42.44 H new ATOM 0 HD13 ILE A 26 5.654 35.151 -17.792 1.00 42.44 H new ATOM 361 N GLU A 27 1.997 35.663 -14.238 1.00 65.40 N ATOM 362 CA GLU A 27 0.998 36.313 -13.399 1.00 53.34 C ATOM 363 C GLU A 27 1.627 37.428 -12.568 1.00 73.13 C ATOM 364 O GLU A 27 1.244 38.592 -12.681 1.00 40.13 O ATOM 365 CB GLU A 27 0.329 35.291 -12.478 1.00 72.13 C ATOM 366 CG GLU A 27 -1.185 35.413 -12.431 1.00 0.12 C ATOM 367 CD GLU A 27 -1.884 34.082 -12.628 1.00 52.12 C ATOM 368 OE1 GLU A 27 -1.717 33.480 -13.710 1.00 33.35 O ATOM 369 OE2 GLU A 27 -2.598 33.643 -11.703 1.00 1.15 O ATOM 0 H GLU A 27 2.023 34.647 -14.153 1.00 65.40 H new ATOM 0 HA GLU A 27 0.243 36.751 -14.052 1.00 53.34 H new ATOM 0 HB2 GLU A 27 0.594 34.287 -12.810 1.00 72.13 H new ATOM 0 HB3 GLU A 27 0.726 35.409 -11.470 1.00 72.13 H new ATOM 0 HG2 GLU A 27 -1.482 35.837 -11.472 1.00 0.12 H new ATOM 0 HG3 GLU A 27 -1.514 36.109 -13.202 1.00 0.12 H new ATOM 376 N MET A 28 2.594 37.062 -11.733 1.00 74.33 N ATOM 377 CA MET A 28 3.276 38.030 -10.883 1.00 44.34 C ATOM 378 C MET A 28 3.898 39.144 -11.720 1.00 11.43 C ATOM 379 O MET A 28 3.972 40.293 -11.283 1.00 41.15 O ATOM 380 CB MET A 28 4.357 37.338 -10.051 1.00 22.01 C ATOM 381 CG MET A 28 5.592 36.959 -10.852 1.00 72.35 C ATOM 382 SD MET A 28 6.456 35.534 -10.164 1.00 5.23 S ATOM 383 CE MET A 28 8.141 36.143 -10.134 1.00 32.32 C ATOM 0 H MET A 28 2.923 36.102 -11.627 1.00 74.33 H new ATOM 0 HA MET A 28 2.538 38.471 -10.212 1.00 44.34 H new ATOM 0 HB2 MET A 28 4.652 37.997 -9.234 1.00 22.01 H new ATOM 0 HB3 MET A 28 3.937 36.439 -9.600 1.00 22.01 H new ATOM 0 HG2 MET A 28 5.301 36.741 -11.880 1.00 72.35 H new ATOM 0 HG3 MET A 28 6.273 37.810 -10.887 1.00 72.35 H new ATOM 0 HE1 MET A 28 8.799 35.373 -9.732 1.00 32.32 H new ATOM 0 HE2 MET A 28 8.455 36.396 -11.147 1.00 32.32 H new ATOM 0 HE3 MET A 28 8.196 37.031 -9.505 1.00 32.32 H new ATOM 393 N SER A 29 4.343 38.797 -12.923 1.00 25.02 N ATOM 394 CA SER A 29 4.962 39.767 -13.818 1.00 45.23 C ATOM 395 C SER A 29 3.951 40.819 -14.263 1.00 75.32 C ATOM 396 O SER A 29 4.320 41.927 -14.652 1.00 22.25 O ATOM 397 CB SER A 29 5.552 39.061 -15.041 1.00 1.13 C ATOM 398 OG SER A 29 5.515 39.901 -16.182 1.00 22.43 O ATOM 0 H SER A 29 4.286 37.851 -13.300 1.00 25.02 H new ATOM 0 HA SER A 29 5.764 40.266 -13.273 1.00 45.23 H new ATOM 0 HB2 SER A 29 6.581 38.768 -14.834 1.00 1.13 H new ATOM 0 HB3 SER A 29 4.994 38.146 -15.241 1.00 1.13 H new ATOM 0 HG SER A 29 5.899 39.428 -16.949 1.00 22.43 H new ATOM 404 N SER A 30 2.671 40.462 -14.203 1.00 44.53 N ATOM 405 CA SER A 30 1.605 41.373 -14.603 1.00 72.24 C ATOM 406 C SER A 30 1.327 42.399 -13.509 1.00 22.32 C ATOM 407 O SER A 30 1.255 43.600 -13.770 1.00 61.34 O ATOM 408 CB SER A 30 0.329 40.590 -14.920 1.00 21.13 C ATOM 409 OG SER A 30 0.004 40.679 -16.296 1.00 63.22 O ATOM 0 H SER A 30 2.348 39.549 -13.882 1.00 44.53 H new ATOM 0 HA SER A 30 1.930 41.902 -15.498 1.00 72.24 H new ATOM 0 HB2 SER A 30 0.462 39.545 -14.641 1.00 21.13 H new ATOM 0 HB3 SER A 30 -0.497 40.977 -14.323 1.00 21.13 H new ATOM 0 HG SER A 30 -0.814 40.169 -16.473 1.00 63.22 H new ATOM 415 N LYS A 31 1.172 41.916 -12.280 1.00 51.55 N ATOM 416 CA LYS A 31 0.903 42.789 -11.144 1.00 3.13 C ATOM 417 C LYS A 31 2.185 43.090 -10.374 1.00 44.41 C ATOM 418 O LYS A 31 2.142 43.487 -9.209 1.00 42.33 O ATOM 419 CB LYS A 31 -0.124 42.144 -10.211 1.00 13.11 C ATOM 420 CG LYS A 31 0.237 40.729 -9.793 1.00 3.42 C ATOM 421 CD LYS A 31 -0.607 40.262 -8.619 1.00 24.01 C ATOM 422 CE LYS A 31 -1.552 39.141 -9.024 1.00 13.54 C ATOM 423 NZ LYS A 31 -0.905 37.804 -8.917 1.00 55.33 N ATOM 0 H LYS A 31 1.228 40.925 -12.046 1.00 51.55 H new ATOM 0 HA LYS A 31 0.500 43.727 -11.526 1.00 3.13 H new ATOM 0 HB2 LYS A 31 -0.230 42.761 -9.319 1.00 13.11 H new ATOM 0 HB3 LYS A 31 -1.095 42.131 -10.707 1.00 13.11 H new ATOM 0 HG2 LYS A 31 0.096 40.052 -10.636 1.00 3.42 H new ATOM 0 HG3 LYS A 31 1.292 40.686 -9.523 1.00 3.42 H new ATOM 0 HD2 LYS A 31 0.044 39.918 -7.815 1.00 24.01 H new ATOM 0 HD3 LYS A 31 -1.182 41.101 -8.227 1.00 24.01 H new ATOM 0 HE2 LYS A 31 -2.439 39.167 -8.391 1.00 13.54 H new ATOM 0 HE3 LYS A 31 -1.887 39.301 -10.049 1.00 13.54 H new ATOM 0 HZ1 LYS A 31 -1.582 37.067 -9.202 1.00 55.33 H new ATOM 0 HZ2 LYS A 31 -0.073 37.770 -9.540 1.00 55.33 H new ATOM 0 HZ3 LYS A 31 -0.608 37.640 -7.934 1.00 55.33 H new ATOM 437 N ILE A 32 3.324 42.901 -11.033 1.00 32.44 N ATOM 438 CA ILE A 32 4.617 43.155 -10.410 1.00 61.24 C ATOM 439 C ILE A 32 4.747 44.614 -9.988 1.00 54.41 C ATOM 440 O ILE A 32 5.269 44.916 -8.915 1.00 62.35 O ATOM 441 CB ILE A 32 5.778 42.802 -11.360 1.00 35.14 C ATOM 442 CG1 ILE A 32 7.121 43.103 -10.692 1.00 31.11 C ATOM 443 CG2 ILE A 32 5.645 43.570 -12.666 1.00 64.22 C ATOM 444 CD1 ILE A 32 8.031 41.899 -10.595 1.00 70.51 C ATOM 0 H ILE A 32 3.377 42.573 -11.997 1.00 32.44 H new ATOM 0 HA ILE A 32 4.673 42.518 -9.527 1.00 61.24 H new ATOM 0 HB ILE A 32 5.736 41.736 -11.583 1.00 35.14 H new ATOM 0 HG12 ILE A 32 7.629 43.888 -11.253 1.00 31.11 H new ATOM 0 HG13 ILE A 32 6.940 43.493 -9.690 1.00 31.11 H new ATOM 0 HG21 ILE A 32 6.472 43.310 -13.327 1.00 64.22 H new ATOM 0 HG22 ILE A 32 4.702 43.310 -13.146 1.00 64.22 H new ATOM 0 HG23 ILE A 32 5.666 44.641 -12.462 1.00 64.22 H new ATOM 0 HD11 ILE A 32 8.964 42.186 -10.111 1.00 70.51 H new ATOM 0 HD12 ILE A 32 7.543 41.120 -10.009 1.00 70.51 H new ATOM 0 HD13 ILE A 32 8.242 41.521 -11.595 1.00 70.51 H new ATOM 456 N GLN A 33 4.266 45.516 -10.838 1.00 73.44 N ATOM 457 CA GLN A 33 4.327 46.944 -10.552 1.00 51.12 C ATOM 458 C GLN A 33 3.543 47.280 -9.288 1.00 54.11 C ATOM 459 O GLN A 33 4.090 47.773 -8.302 1.00 14.44 O ATOM 460 CB GLN A 33 3.780 47.746 -11.734 1.00 42.33 C ATOM 461 CG GLN A 33 4.858 48.448 -12.544 1.00 5.20 C ATOM 462 CD GLN A 33 4.985 47.896 -13.950 1.00 72.11 C ATOM 463 OE1 GLN A 33 5.954 47.209 -14.275 1.00 50.20 O ATOM 464 NE2 GLN A 33 4.003 48.193 -14.794 1.00 3.24 N ATOM 0 H GLN A 33 3.830 45.283 -11.730 1.00 73.44 H new ATOM 0 HA GLN A 33 5.371 47.213 -10.392 1.00 51.12 H new ATOM 0 HB2 GLN A 33 3.223 47.077 -12.389 1.00 42.33 H new ATOM 0 HB3 GLN A 33 3.074 48.489 -11.363 1.00 42.33 H new ATOM 0 HG2 GLN A 33 4.633 49.513 -12.595 1.00 5.20 H new ATOM 0 HG3 GLN A 33 5.815 48.349 -12.031 1.00 5.20 H new ATOM 0 HE21 GLN A 33 3.219 48.766 -14.482 1.00 3.24 H new ATOM 0 HE22 GLN A 33 4.034 47.848 -15.754 1.00 3.24 H new ATOM 473 N PRO A 34 2.229 47.008 -9.316 1.00 25.00 N ATOM 474 CA PRO A 34 1.342 47.273 -8.180 1.00 52.40 C ATOM 475 C PRO A 34 1.610 46.340 -7.004 1.00 50.13 C ATOM 476 O PRO A 34 1.049 46.512 -5.923 1.00 1.34 O ATOM 477 CB PRO A 34 -0.055 47.022 -8.755 1.00 25.13 C ATOM 478 CG PRO A 34 0.165 46.074 -9.882 1.00 61.44 C ATOM 479 CD PRO A 34 1.510 46.420 -10.458 1.00 64.44 C ATOM 0 HA PRO A 34 1.480 48.278 -7.781 1.00 52.40 H new ATOM 0 HB2 PRO A 34 -0.722 46.597 -8.005 1.00 25.13 H new ATOM 0 HB3 PRO A 34 -0.513 47.949 -9.101 1.00 25.13 H new ATOM 0 HG2 PRO A 34 0.144 45.042 -9.533 1.00 61.44 H new ATOM 0 HG3 PRO A 34 -0.618 46.173 -10.633 1.00 61.44 H new ATOM 0 HD2 PRO A 34 2.021 45.538 -10.843 1.00 64.44 H new ATOM 0 HD3 PRO A 34 1.424 47.125 -11.285 1.00 64.44 H new ATOM 487 N ALA A 35 2.471 45.352 -7.224 1.00 21.13 N ATOM 488 CA ALA A 35 2.815 44.393 -6.181 1.00 43.11 C ATOM 489 C ALA A 35 3.144 45.101 -4.871 1.00 73.00 C ATOM 490 O ALA A 35 4.194 45.725 -4.721 1.00 42.21 O ATOM 491 CB ALA A 35 3.987 43.529 -6.625 1.00 14.24 C ATOM 0 H ALA A 35 2.943 45.195 -8.114 1.00 21.13 H new ATOM 0 HA ALA A 35 1.949 43.753 -6.010 1.00 43.11 H new ATOM 0 HB1 ALA A 35 4.234 42.817 -5.837 1.00 14.24 H new ATOM 0 HB2 ALA A 35 3.717 42.987 -7.532 1.00 14.24 H new ATOM 0 HB3 ALA A 35 4.851 44.163 -6.825 1.00 14.24 H new ATOM 497 N PRO A 36 2.225 45.004 -3.899 1.00 21.35 N ATOM 498 CA PRO A 36 2.395 45.629 -2.584 1.00 21.14 C ATOM 499 C PRO A 36 3.484 44.953 -1.757 1.00 40.50 C ATOM 500 O PRO A 36 3.976 43.877 -2.095 1.00 74.52 O ATOM 501 CB PRO A 36 1.028 45.441 -1.922 1.00 14.00 C ATOM 502 CG PRO A 36 0.444 44.245 -2.592 1.00 13.41 C ATOM 503 CD PRO A 36 0.950 44.276 -4.008 1.00 32.54 C ATOM 0 HA PRO A 36 2.705 46.671 -2.665 1.00 21.14 H new ATOM 0 HB2 PRO A 36 1.127 45.284 -0.848 1.00 14.00 H new ATOM 0 HB3 PRO A 36 0.397 46.319 -2.060 1.00 14.00 H new ATOM 0 HG2 PRO A 36 0.749 43.328 -2.088 1.00 13.41 H new ATOM 0 HG3 PRO A 36 -0.645 44.276 -2.566 1.00 13.41 H new ATOM 0 HD2 PRO A 36 1.094 43.271 -4.405 1.00 32.54 H new ATOM 0 HD3 PRO A 36 0.252 44.785 -4.673 1.00 32.54 H new ATOM 511 N PRO A 37 3.871 45.599 -0.647 1.00 22.34 N ATOM 512 CA PRO A 37 4.906 45.077 0.252 1.00 53.53 C ATOM 513 C PRO A 37 4.442 43.841 1.014 1.00 62.20 C ATOM 514 O PRO A 37 5.258 43.070 1.518 1.00 20.01 O ATOM 515 CB PRO A 37 5.155 46.239 1.217 1.00 32.34 C ATOM 516 CG PRO A 37 3.885 47.018 1.208 1.00 21.03 C ATOM 517 CD PRO A 37 3.328 46.886 -0.182 1.00 44.44 C ATOM 0 HA PRO A 37 5.795 44.758 -0.291 1.00 53.53 H new ATOM 0 HB2 PRO A 37 5.391 45.878 2.218 1.00 32.34 H new ATOM 0 HB3 PRO A 37 5.997 46.850 0.892 1.00 32.34 H new ATOM 0 HG2 PRO A 37 3.184 46.630 1.948 1.00 21.03 H new ATOM 0 HG3 PRO A 37 4.067 48.063 1.458 1.00 21.03 H new ATOM 0 HD2 PRO A 37 2.238 46.885 -0.180 1.00 44.44 H new ATOM 0 HD3 PRO A 37 3.644 47.710 -0.821 1.00 44.44 H new ATOM 525 N GLU A 38 3.128 43.658 1.093 1.00 12.34 N ATOM 526 CA GLU A 38 2.557 42.514 1.795 1.00 1.51 C ATOM 527 C GLU A 38 2.467 41.301 0.874 1.00 31.02 C ATOM 528 O GLU A 38 2.404 40.162 1.336 1.00 3.33 O ATOM 529 CB GLU A 38 1.169 42.861 2.337 1.00 10.33 C ATOM 530 CG GLU A 38 0.874 42.244 3.694 1.00 10.42 C ATOM 531 CD GLU A 38 -0.375 41.385 3.685 1.00 32.12 C ATOM 532 OE1 GLU A 38 -1.379 41.805 3.072 1.00 31.03 O ATOM 533 OE2 GLU A 38 -0.349 40.293 4.291 1.00 54.24 O ATOM 0 H GLU A 38 2.439 44.287 0.680 1.00 12.34 H new ATOM 0 HA GLU A 38 3.213 42.267 2.629 1.00 1.51 H new ATOM 0 HB2 GLU A 38 1.078 43.945 2.412 1.00 10.33 H new ATOM 0 HB3 GLU A 38 0.416 42.527 1.624 1.00 10.33 H new ATOM 0 HG2 GLU A 38 1.725 41.638 4.006 1.00 10.42 H new ATOM 0 HG3 GLU A 38 0.759 43.037 4.433 1.00 10.42 H new ATOM 540 N GLU A 39 2.460 41.555 -0.431 1.00 21.23 N ATOM 541 CA GLU A 39 2.376 40.483 -1.416 1.00 40.42 C ATOM 542 C GLU A 39 3.767 40.054 -1.873 1.00 42.35 C ATOM 543 O GLU A 39 3.934 38.996 -2.479 1.00 63.54 O ATOM 544 CB GLU A 39 1.547 40.933 -2.621 1.00 61.33 C ATOM 545 CG GLU A 39 1.347 39.844 -3.662 1.00 42.24 C ATOM 546 CD GLU A 39 0.180 40.129 -4.588 1.00 4.41 C ATOM 547 OE1 GLU A 39 0.303 41.041 -5.433 1.00 1.24 O ATOM 548 OE2 GLU A 39 -0.855 39.442 -4.468 1.00 21.33 O ATOM 0 H GLU A 39 2.511 42.492 -0.830 1.00 21.23 H new ATOM 0 HA GLU A 39 1.888 39.629 -0.946 1.00 40.42 H new ATOM 0 HB2 GLU A 39 0.572 41.275 -2.274 1.00 61.33 H new ATOM 0 HB3 GLU A 39 2.036 41.787 -3.090 1.00 61.33 H new ATOM 0 HG2 GLU A 39 2.257 39.739 -4.252 1.00 42.24 H new ATOM 0 HG3 GLU A 39 1.182 38.891 -3.159 1.00 42.24 H new ATOM 555 N TYR A 40 4.762 40.884 -1.579 1.00 70.14 N ATOM 556 CA TYR A 40 6.138 40.593 -1.962 1.00 64.14 C ATOM 557 C TYR A 40 6.761 39.567 -1.020 1.00 11.30 C ATOM 558 O TYR A 40 7.667 38.826 -1.401 1.00 50.00 O ATOM 559 CB TYR A 40 6.972 41.875 -1.961 1.00 42.31 C ATOM 560 CG TYR A 40 8.146 41.835 -2.914 1.00 12.43 C ATOM 561 CD1 TYR A 40 7.958 41.600 -4.270 1.00 15.01 C ATOM 562 CD2 TYR A 40 9.443 42.034 -2.457 1.00 41.32 C ATOM 563 CE1 TYR A 40 9.027 41.562 -5.143 1.00 70.05 C ATOM 564 CE2 TYR A 40 10.518 42.000 -3.324 1.00 24.52 C ATOM 565 CZ TYR A 40 10.305 41.763 -4.666 1.00 23.52 C ATOM 566 OH TYR A 40 11.373 41.727 -5.533 1.00 61.20 O ATOM 0 H TYR A 40 4.641 41.763 -1.077 1.00 70.14 H new ATOM 0 HA TYR A 40 6.127 40.175 -2.969 1.00 64.14 H new ATOM 0 HB2 TYR A 40 6.330 42.716 -2.224 1.00 42.31 H new ATOM 0 HB3 TYR A 40 7.340 42.058 -0.952 1.00 42.31 H new ATOM 0 HD1 TYR A 40 6.958 41.444 -4.648 1.00 15.01 H new ATOM 0 HD2 TYR A 40 9.614 42.218 -1.407 1.00 41.32 H new ATOM 0 HE1 TYR A 40 8.863 41.376 -6.194 1.00 70.05 H new ATOM 0 HE2 TYR A 40 11.520 42.158 -2.953 1.00 24.52 H new ATOM 0 HH TYR A 40 12.203 41.889 -5.037 1.00 61.20 H new ATOM 576 N VAL A 41 6.267 39.531 0.214 1.00 61.43 N ATOM 577 CA VAL A 41 6.772 38.595 1.212 1.00 42.52 C ATOM 578 C VAL A 41 6.570 37.152 0.765 1.00 41.14 C ATOM 579 O VAL A 41 7.516 36.371 0.658 1.00 73.04 O ATOM 580 CB VAL A 41 6.082 38.801 2.573 1.00 21.14 C ATOM 581 CG1 VAL A 41 5.999 37.486 3.334 1.00 55.14 C ATOM 582 CG2 VAL A 41 6.818 39.853 3.390 1.00 70.42 C ATOM 0 H VAL A 41 5.518 40.139 0.546 1.00 61.43 H new ATOM 0 HA VAL A 41 7.839 38.792 1.320 1.00 42.52 H new ATOM 0 HB VAL A 41 5.067 39.156 2.396 1.00 21.14 H new ATOM 0 HG11 VAL A 41 5.508 37.651 4.293 1.00 55.14 H new ATOM 0 HG12 VAL A 41 5.425 36.765 2.752 1.00 55.14 H new ATOM 0 HG13 VAL A 41 7.004 37.099 3.502 1.00 55.14 H new ATOM 0 HG21 VAL A 41 6.317 39.986 4.349 1.00 70.42 H new ATOM 0 HG22 VAL A 41 7.845 39.529 3.559 1.00 70.42 H new ATOM 0 HG23 VAL A 41 6.820 40.799 2.848 1.00 70.42 H new ATOM 592 N PRO A 42 5.308 36.787 0.496 1.00 53.21 N ATOM 593 CA PRO A 42 4.951 35.436 0.055 1.00 62.55 C ATOM 594 C PRO A 42 5.441 35.139 -1.359 1.00 3.13 C ATOM 595 O PRO A 42 5.710 33.989 -1.704 1.00 31.21 O ATOM 596 CB PRO A 42 3.421 35.439 0.100 1.00 2.41 C ATOM 597 CG PRO A 42 3.041 36.871 -0.062 1.00 21.23 C ATOM 598 CD PRO A 42 4.131 37.666 0.602 1.00 40.21 C ATOM 0 HA PRO A 42 5.408 34.670 0.682 1.00 62.55 H new ATOM 0 HB2 PRO A 42 3.000 34.825 -0.696 1.00 2.41 H new ATOM 0 HB3 PRO A 42 3.052 35.035 1.043 1.00 2.41 H new ATOM 0 HG2 PRO A 42 2.952 37.134 -1.116 1.00 21.23 H new ATOM 0 HG3 PRO A 42 2.074 37.073 0.399 1.00 21.23 H new ATOM 0 HD2 PRO A 42 4.295 38.620 0.100 1.00 40.21 H new ATOM 0 HD3 PRO A 42 3.889 37.890 1.641 1.00 40.21 H new ATOM 606 N MET A 43 5.556 36.184 -2.172 1.00 11.23 N ATOM 607 CA MET A 43 6.016 36.035 -3.548 1.00 33.25 C ATOM 608 C MET A 43 7.294 35.205 -3.606 1.00 62.33 C ATOM 609 O MET A 43 7.350 34.180 -4.286 1.00 41.03 O ATOM 610 CB MET A 43 6.255 37.407 -4.180 1.00 3.24 C ATOM 611 CG MET A 43 5.671 37.543 -5.576 1.00 54.51 C ATOM 612 SD MET A 43 6.129 39.095 -6.373 1.00 22.42 S ATOM 613 CE MET A 43 4.529 39.886 -6.519 1.00 2.21 C ATOM 0 H MET A 43 5.337 37.143 -1.902 1.00 11.23 H new ATOM 0 HA MET A 43 5.240 35.515 -4.110 1.00 33.25 H new ATOM 0 HB2 MET A 43 5.822 38.174 -3.538 1.00 3.24 H new ATOM 0 HB3 MET A 43 7.328 37.596 -4.224 1.00 3.24 H new ATOM 0 HG2 MET A 43 6.011 36.709 -6.191 1.00 54.51 H new ATOM 0 HG3 MET A 43 4.585 37.475 -5.519 1.00 54.51 H new ATOM 0 HE1 MET A 43 4.621 40.782 -7.134 1.00 2.21 H new ATOM 0 HE2 MET A 43 3.824 39.197 -6.984 1.00 2.21 H new ATOM 0 HE3 MET A 43 4.168 40.161 -5.528 1.00 2.21 H new ATOM 623 N VAL A 44 8.320 35.654 -2.890 1.00 13.02 N ATOM 624 CA VAL A 44 9.597 34.952 -2.860 1.00 44.21 C ATOM 625 C VAL A 44 9.411 33.487 -2.483 1.00 72.21 C ATOM 626 O VAL A 44 10.156 32.618 -2.936 1.00 23.25 O ATOM 627 CB VAL A 44 10.574 35.607 -1.865 1.00 62.41 C ATOM 628 CG1 VAL A 44 10.129 35.351 -0.433 1.00 63.13 C ATOM 629 CG2 VAL A 44 11.988 35.094 -2.092 1.00 63.03 C ATOM 0 H VAL A 44 8.291 36.501 -2.323 1.00 13.02 H new ATOM 0 HA VAL A 44 10.016 35.015 -3.864 1.00 44.21 H new ATOM 0 HB VAL A 44 10.571 36.684 -2.034 1.00 62.41 H new ATOM 0 HG11 VAL A 44 10.831 35.821 0.256 1.00 63.13 H new ATOM 0 HG12 VAL A 44 9.135 35.771 -0.280 1.00 63.13 H new ATOM 0 HG13 VAL A 44 10.102 34.277 -0.247 1.00 63.13 H new ATOM 0 HG21 VAL A 44 12.665 35.567 -1.381 1.00 63.03 H new ATOM 0 HG22 VAL A 44 12.010 34.013 -1.951 1.00 63.03 H new ATOM 0 HG23 VAL A 44 12.303 35.334 -3.108 1.00 63.03 H new ATOM 639 N LYS A 45 8.410 33.219 -1.651 1.00 60.53 N ATOM 640 CA LYS A 45 8.122 31.858 -1.213 1.00 64.23 C ATOM 641 C LYS A 45 7.816 30.956 -2.405 1.00 15.23 C ATOM 642 O LYS A 45 8.307 29.831 -2.485 1.00 71.01 O ATOM 643 CB LYS A 45 6.942 31.852 -0.239 1.00 4.52 C ATOM 644 CG LYS A 45 7.195 31.037 1.017 1.00 32.05 C ATOM 645 CD LYS A 45 8.342 31.609 1.833 1.00 41.52 C ATOM 646 CE LYS A 45 8.099 31.450 3.326 1.00 51.13 C ATOM 647 NZ LYS A 45 8.357 32.715 4.068 1.00 44.01 N ATOM 0 H LYS A 45 7.784 33.927 -1.266 1.00 60.53 H new ATOM 0 HA LYS A 45 9.006 31.472 -0.705 1.00 64.23 H new ATOM 0 HB2 LYS A 45 6.710 32.879 0.045 1.00 4.52 H new ATOM 0 HB3 LYS A 45 6.063 31.456 -0.748 1.00 4.52 H new ATOM 0 HG2 LYS A 45 6.291 31.015 1.625 1.00 32.05 H new ATOM 0 HG3 LYS A 45 7.421 30.006 0.743 1.00 32.05 H new ATOM 0 HD2 LYS A 45 9.270 31.107 1.559 1.00 41.52 H new ATOM 0 HD3 LYS A 45 8.468 32.665 1.594 1.00 41.52 H new ATOM 0 HE2 LYS A 45 7.070 31.134 3.495 1.00 51.13 H new ATOM 0 HE3 LYS A 45 8.743 30.662 3.717 1.00 51.13 H new ATOM 0 HZ1 LYS A 45 7.820 32.711 4.959 1.00 44.01 H new ATOM 0 HZ2 LYS A 45 9.373 32.794 4.277 1.00 44.01 H new ATOM 0 HZ3 LYS A 45 8.059 33.525 3.488 1.00 44.01 H new ATOM 661 N GLU A 46 7.002 31.459 -3.328 1.00 14.13 N ATOM 662 CA GLU A 46 6.631 30.698 -4.515 1.00 31.21 C ATOM 663 C GLU A 46 7.861 30.369 -5.356 1.00 53.35 C ATOM 664 O GLU A 46 8.066 29.223 -5.754 1.00 62.54 O ATOM 665 CB GLU A 46 5.619 31.481 -5.354 1.00 60.54 C ATOM 666 CG GLU A 46 4.176 31.252 -4.938 1.00 31.32 C ATOM 667 CD GLU A 46 3.871 31.809 -3.561 1.00 31.42 C ATOM 668 OE1 GLU A 46 3.527 33.005 -3.467 1.00 10.30 O ATOM 669 OE2 GLU A 46 3.976 31.047 -2.577 1.00 30.32 O ATOM 0 H GLU A 46 6.587 32.389 -3.276 1.00 14.13 H new ATOM 0 HA GLU A 46 6.175 29.763 -4.189 1.00 31.21 H new ATOM 0 HB2 GLU A 46 5.845 32.545 -5.281 1.00 60.54 H new ATOM 0 HB3 GLU A 46 5.735 31.202 -6.401 1.00 60.54 H new ATOM 0 HG2 GLU A 46 3.513 31.716 -5.669 1.00 31.32 H new ATOM 0 HG3 GLU A 46 3.964 30.183 -4.949 1.00 31.32 H new ATOM 676 N VAL A 47 8.676 31.385 -5.624 1.00 73.34 N ATOM 677 CA VAL A 47 9.886 31.205 -6.418 1.00 15.00 C ATOM 678 C VAL A 47 10.866 30.269 -5.721 1.00 21.22 C ATOM 679 O VAL A 47 11.429 29.368 -6.342 1.00 2.33 O ATOM 680 CB VAL A 47 10.583 32.551 -6.690 1.00 61.03 C ATOM 681 CG1 VAL A 47 11.701 32.377 -7.707 1.00 3.03 C ATOM 682 CG2 VAL A 47 9.575 33.586 -7.166 1.00 42.31 C ATOM 0 H VAL A 47 8.520 32.341 -5.303 1.00 73.34 H new ATOM 0 HA VAL A 47 9.580 30.764 -7.367 1.00 15.00 H new ATOM 0 HB VAL A 47 11.023 32.907 -5.759 1.00 61.03 H new ATOM 0 HG11 VAL A 47 12.182 33.338 -7.887 1.00 3.03 H new ATOM 0 HG12 VAL A 47 12.436 31.670 -7.322 1.00 3.03 H new ATOM 0 HG13 VAL A 47 11.287 31.998 -8.641 1.00 3.03 H new ATOM 0 HG21 VAL A 47 10.085 34.531 -7.353 1.00 42.31 H new ATOM 0 HG22 VAL A 47 9.104 33.239 -8.086 1.00 42.31 H new ATOM 0 HG23 VAL A 47 8.813 33.731 -6.400 1.00 42.31 H new ATOM 692 N GLY A 48 11.065 30.488 -4.424 1.00 65.25 N ATOM 693 CA GLY A 48 11.978 29.655 -3.663 1.00 44.23 C ATOM 694 C GLY A 48 11.645 28.181 -3.771 1.00 33.53 C ATOM 695 O GLY A 48 12.539 27.333 -3.781 1.00 14.11 O ATOM 0 H GLY A 48 10.610 31.227 -3.888 1.00 65.25 H new ATOM 0 HA2 GLY A 48 12.996 29.821 -4.016 1.00 44.23 H new ATOM 0 HA3 GLY A 48 11.951 29.955 -2.615 1.00 44.23 H new ATOM 699 N LEU A 49 10.355 27.872 -3.849 1.00 61.34 N ATOM 700 CA LEU A 49 9.905 26.488 -3.955 1.00 13.22 C ATOM 701 C LEU A 49 10.253 25.905 -5.321 1.00 35.14 C ATOM 702 O LEU A 49 10.617 24.735 -5.432 1.00 64.02 O ATOM 703 CB LEU A 49 8.395 26.403 -3.721 1.00 4.23 C ATOM 704 CG LEU A 49 7.956 26.031 -2.304 1.00 51.41 C ATOM 705 CD1 LEU A 49 6.476 26.322 -2.111 1.00 12.42 C ATOM 706 CD2 LEU A 49 8.255 24.567 -2.020 1.00 71.41 C ATOM 0 H LEU A 49 9.603 28.561 -3.841 1.00 61.34 H new ATOM 0 HA LEU A 49 10.419 25.905 -3.190 1.00 13.22 H new ATOM 0 HB2 LEU A 49 7.953 27.366 -3.976 1.00 4.23 H new ATOM 0 HB3 LEU A 49 7.981 25.669 -4.413 1.00 4.23 H new ATOM 0 HG LEU A 49 8.520 26.640 -1.598 1.00 51.41 H new ATOM 0 HD11 LEU A 49 6.181 26.051 -1.097 1.00 12.42 H new ATOM 0 HD12 LEU A 49 6.290 27.384 -2.272 1.00 12.42 H new ATOM 0 HD13 LEU A 49 5.894 25.740 -2.826 1.00 12.42 H new ATOM 0 HD21 LEU A 49 7.936 24.320 -1.007 1.00 71.41 H new ATOM 0 HD22 LEU A 49 7.718 23.941 -2.732 1.00 71.41 H new ATOM 0 HD23 LEU A 49 9.326 24.389 -2.116 1.00 71.41 H new ATOM 718 N ALA A 50 10.139 26.729 -6.357 1.00 12.42 N ATOM 719 CA ALA A 50 10.445 26.297 -7.715 1.00 23.35 C ATOM 720 C ALA A 50 11.901 25.859 -7.836 1.00 1.31 C ATOM 721 O ALA A 50 12.192 24.756 -8.299 1.00 30.40 O ATOM 722 CB ALA A 50 10.143 27.412 -8.705 1.00 32.43 C ATOM 0 H ALA A 50 9.837 27.700 -6.282 1.00 12.42 H new ATOM 0 HA ALA A 50 9.814 25.439 -7.948 1.00 23.35 H new ATOM 0 HB1 ALA A 50 10.376 27.075 -9.715 1.00 32.43 H new ATOM 0 HB2 ALA A 50 9.087 27.675 -8.645 1.00 32.43 H new ATOM 0 HB3 ALA A 50 10.749 28.286 -8.465 1.00 32.43 H new ATOM 728 N LEU A 51 12.812 26.731 -7.418 1.00 64.21 N ATOM 729 CA LEU A 51 14.240 26.435 -7.481 1.00 35.44 C ATOM 730 C LEU A 51 14.594 25.267 -6.565 1.00 50.12 C ATOM 731 O LEU A 51 15.249 24.313 -6.985 1.00 4.32 O ATOM 732 CB LEU A 51 15.054 27.669 -7.090 1.00 42.13 C ATOM 733 CG LEU A 51 14.598 28.995 -7.701 1.00 22.21 C ATOM 734 CD1 LEU A 51 14.236 29.989 -6.609 1.00 32.14 C ATOM 735 CD2 LEU A 51 15.680 29.565 -8.606 1.00 42.22 C ATOM 0 H LEU A 51 12.588 27.648 -7.032 1.00 64.21 H new ATOM 0 HA LEU A 51 14.484 26.156 -8.506 1.00 35.44 H new ATOM 0 HB2 LEU A 51 15.032 27.765 -6.004 1.00 42.13 H new ATOM 0 HB3 LEU A 51 16.093 27.499 -7.374 1.00 42.13 H new ATOM 0 HG LEU A 51 13.709 28.809 -8.304 1.00 22.21 H new ATOM 0 HD11 LEU A 51 13.914 30.926 -7.062 1.00 32.14 H new ATOM 0 HD12 LEU A 51 13.427 29.583 -6.001 1.00 32.14 H new ATOM 0 HD13 LEU A 51 15.107 30.171 -5.979 1.00 32.14 H new ATOM 0 HD21 LEU A 51 15.338 30.508 -9.032 1.00 42.22 H new ATOM 0 HD22 LEU A 51 16.587 29.736 -8.026 1.00 42.22 H new ATOM 0 HD23 LEU A 51 15.891 28.859 -9.410 1.00 42.22 H new ATOM 747 N ARG A 52 14.155 25.349 -5.314 1.00 35.34 N ATOM 748 CA ARG A 52 14.425 24.298 -4.339 1.00 55.51 C ATOM 749 C ARG A 52 13.922 22.948 -4.842 1.00 12.34 C ATOM 750 O ARG A 52 14.675 21.976 -4.904 1.00 4.23 O ATOM 751 CB ARG A 52 13.765 24.634 -3.000 1.00 42.01 C ATOM 752 CG ARG A 52 14.256 23.774 -1.847 1.00 5.31 C ATOM 753 CD ARG A 52 13.355 23.907 -0.629 1.00 41.34 C ATOM 754 NE ARG A 52 12.438 22.778 -0.501 1.00 61.13 N ATOM 755 CZ ARG A 52 11.524 22.678 0.457 1.00 1.55 C ATOM 756 NH1 ARG A 52 11.406 23.636 1.367 1.00 54.01 N ATOM 757 NH2 ARG A 52 10.726 21.620 0.508 1.00 71.34 N ATOM 0 H ARG A 52 13.611 26.132 -4.951 1.00 35.34 H new ATOM 0 HA ARG A 52 15.504 24.235 -4.199 1.00 55.51 H new ATOM 0 HB2 ARG A 52 13.951 25.682 -2.766 1.00 42.01 H new ATOM 0 HB3 ARG A 52 12.686 24.516 -3.097 1.00 42.01 H new ATOM 0 HG2 ARG A 52 14.294 22.731 -2.160 1.00 5.31 H new ATOM 0 HG3 ARG A 52 15.273 24.065 -1.582 1.00 5.31 H new ATOM 0 HD2 ARG A 52 13.968 23.980 0.269 1.00 41.34 H new ATOM 0 HD3 ARG A 52 12.783 24.832 -0.700 1.00 41.34 H new ATOM 0 HE ARG A 52 12.503 22.024 -1.185 1.00 61.13 H new ATOM 0 HH11 ARG A 52 12.018 24.451 1.332 1.00 54.01 H new ATOM 0 HH12 ARG A 52 10.703 23.557 2.102 1.00 54.01 H new ATOM 0 HH21 ARG A 52 10.814 20.881 -0.190 1.00 71.34 H new ATOM 0 HH22 ARG A 52 10.025 21.545 1.245 1.00 71.34 H new ATOM 771 N THR A 53 12.642 22.895 -5.199 1.00 64.42 N ATOM 772 CA THR A 53 12.038 21.664 -5.694 1.00 42.23 C ATOM 773 C THR A 53 12.681 21.224 -7.005 1.00 4.45 C ATOM 774 O THR A 53 12.836 20.030 -7.262 1.00 31.31 O ATOM 775 CB THR A 53 10.522 21.830 -5.910 1.00 41.22 C ATOM 776 OG1 THR A 53 9.902 22.284 -4.702 1.00 31.52 O ATOM 777 CG2 THR A 53 9.891 20.517 -6.348 1.00 50.35 C ATOM 0 H THR A 53 12.004 23.690 -5.154 1.00 64.42 H new ATOM 0 HA THR A 53 12.209 20.901 -4.935 1.00 42.23 H new ATOM 0 HB THR A 53 10.368 22.569 -6.696 1.00 41.22 H new ATOM 0 HG1 THR A 53 9.932 23.263 -4.667 1.00 31.52 H new ATOM 0 HG21 THR A 53 8.820 20.659 -6.494 1.00 50.35 H new ATOM 0 HG22 THR A 53 10.345 20.189 -7.283 1.00 50.35 H new ATOM 0 HG23 THR A 53 10.055 19.761 -5.581 1.00 50.35 H new ATOM 785 N LEU A 54 13.056 22.196 -7.830 1.00 35.22 N ATOM 786 CA LEU A 54 13.684 21.909 -9.115 1.00 33.53 C ATOM 787 C LEU A 54 14.870 20.966 -8.942 1.00 63.21 C ATOM 788 O LEU A 54 14.988 19.963 -9.647 1.00 74.50 O ATOM 789 CB LEU A 54 14.142 23.206 -9.782 1.00 52.42 C ATOM 790 CG LEU A 54 13.227 23.758 -10.876 1.00 71.33 C ATOM 791 CD1 LEU A 54 13.783 25.060 -11.431 1.00 70.12 C ATOM 792 CD2 LEU A 54 13.049 22.735 -11.989 1.00 23.43 C ATOM 0 H LEU A 54 12.936 23.189 -7.632 1.00 35.22 H new ATOM 0 HA LEU A 54 12.946 21.422 -9.752 1.00 33.53 H new ATOM 0 HB2 LEU A 54 14.253 23.968 -9.011 1.00 52.42 H new ATOM 0 HB3 LEU A 54 15.130 23.041 -10.212 1.00 52.42 H new ATOM 0 HG LEU A 54 12.250 23.962 -10.437 1.00 71.33 H new ATOM 0 HD11 LEU A 54 13.118 25.437 -12.208 1.00 70.12 H new ATOM 0 HD12 LEU A 54 13.858 25.795 -10.629 1.00 70.12 H new ATOM 0 HD13 LEU A 54 14.772 24.882 -11.854 1.00 70.12 H new ATOM 0 HD21 LEU A 54 12.395 23.145 -12.759 1.00 23.43 H new ATOM 0 HD22 LEU A 54 14.020 22.499 -12.425 1.00 23.43 H new ATOM 0 HD23 LEU A 54 12.605 21.827 -11.581 1.00 23.43 H new ATOM 804 N LEU A 55 15.747 21.293 -7.999 1.00 51.11 N ATOM 805 CA LEU A 55 16.924 20.474 -7.731 1.00 42.34 C ATOM 806 C LEU A 55 16.535 19.016 -7.514 1.00 70.54 C ATOM 807 O LEU A 55 17.165 18.108 -8.056 1.00 21.43 O ATOM 808 CB LEU A 55 17.669 21.003 -6.505 1.00 3.23 C ATOM 809 CG LEU A 55 19.118 21.436 -6.734 1.00 71.31 C ATOM 810 CD1 LEU A 55 19.206 22.946 -6.887 1.00 40.22 C ATOM 811 CD2 LEU A 55 20.004 20.961 -5.591 1.00 54.13 C ATOM 0 H LEU A 55 15.665 22.120 -7.407 1.00 51.11 H new ATOM 0 HA LEU A 55 17.580 20.530 -8.599 1.00 42.34 H new ATOM 0 HB2 LEU A 55 17.115 21.854 -6.108 1.00 3.23 H new ATOM 0 HB3 LEU A 55 17.659 20.229 -5.737 1.00 3.23 H new ATOM 0 HG LEU A 55 19.473 20.977 -7.657 1.00 71.31 H new ATOM 0 HD11 LEU A 55 20.244 23.235 -7.049 1.00 40.22 H new ATOM 0 HD12 LEU A 55 18.604 23.261 -7.739 1.00 40.22 H new ATOM 0 HD13 LEU A 55 18.833 23.426 -5.982 1.00 40.22 H new ATOM 0 HD21 LEU A 55 21.031 21.278 -5.771 1.00 54.13 H new ATOM 0 HD22 LEU A 55 19.650 21.391 -4.654 1.00 54.13 H new ATOM 0 HD23 LEU A 55 19.966 19.873 -5.529 1.00 54.13 H new ATOM 823 N ALA A 56 15.491 18.799 -6.721 1.00 24.34 N ATOM 824 CA ALA A 56 15.015 17.451 -6.436 1.00 24.23 C ATOM 825 C ALA A 56 14.395 16.814 -7.675 1.00 12.43 C ATOM 826 O ALA A 56 14.741 15.694 -8.050 1.00 32.41 O ATOM 827 CB ALA A 56 14.010 17.476 -5.294 1.00 5.45 C ATOM 0 H ALA A 56 14.959 19.540 -6.264 1.00 24.34 H new ATOM 0 HA ALA A 56 15.871 16.846 -6.138 1.00 24.23 H new ATOM 0 HB1 ALA A 56 13.663 16.463 -5.092 1.00 5.45 H new ATOM 0 HB2 ALA A 56 14.485 17.882 -4.401 1.00 5.45 H new ATOM 0 HB3 ALA A 56 13.161 18.102 -5.570 1.00 5.45 H new ATOM 833 N THR A 57 13.475 17.536 -8.307 1.00 53.14 N ATOM 834 CA THR A 57 12.804 17.041 -9.503 1.00 43.20 C ATOM 835 C THR A 57 13.814 16.620 -10.565 1.00 13.11 C ATOM 836 O THR A 57 13.804 15.479 -11.027 1.00 42.12 O ATOM 837 CB THR A 57 11.862 18.104 -10.099 1.00 62.14 C ATOM 838 OG1 THR A 57 12.607 19.274 -10.456 1.00 73.10 O ATOM 839 CG2 THR A 57 10.769 18.475 -9.109 1.00 32.21 C ATOM 0 H THR A 57 13.177 18.466 -8.011 1.00 53.14 H new ATOM 0 HA THR A 57 12.216 16.174 -9.200 1.00 43.20 H new ATOM 0 HB THR A 57 11.395 17.685 -10.990 1.00 62.14 H new ATOM 0 HG1 THR A 57 13.322 19.419 -9.802 1.00 73.10 H new ATOM 0 HG21 THR A 57 10.116 19.227 -9.552 1.00 32.21 H new ATOM 0 HG22 THR A 57 10.185 17.588 -8.862 1.00 32.21 H new ATOM 0 HG23 THR A 57 11.221 18.876 -8.202 1.00 32.21 H new ATOM 847 N VAL A 58 14.685 17.548 -10.948 1.00 0.23 N ATOM 848 CA VAL A 58 15.703 17.272 -11.954 1.00 50.34 C ATOM 849 C VAL A 58 16.551 16.067 -11.563 1.00 11.44 C ATOM 850 O VAL A 58 16.725 15.136 -12.349 1.00 31.14 O ATOM 851 CB VAL A 58 16.625 18.487 -12.168 1.00 10.40 C ATOM 852 CG1 VAL A 58 17.597 18.226 -13.308 1.00 42.43 C ATOM 853 CG2 VAL A 58 15.803 19.739 -12.433 1.00 53.45 C ATOM 0 H VAL A 58 14.706 18.498 -10.577 1.00 0.23 H new ATOM 0 HA VAL A 58 15.177 17.056 -12.884 1.00 50.34 H new ATOM 0 HB VAL A 58 17.204 18.646 -11.258 1.00 10.40 H new ATOM 0 HG11 VAL A 58 18.240 19.096 -13.444 1.00 42.43 H new ATOM 0 HG12 VAL A 58 18.209 17.355 -13.072 1.00 42.43 H new ATOM 0 HG13 VAL A 58 17.040 18.040 -14.226 1.00 42.43 H new ATOM 0 HG21 VAL A 58 16.471 20.588 -12.582 1.00 53.45 H new ATOM 0 HG22 VAL A 58 15.196 19.593 -13.327 1.00 53.45 H new ATOM 0 HG23 VAL A 58 15.152 19.934 -11.581 1.00 53.45 H new ATOM 863 N ASP A 59 17.076 16.092 -10.343 1.00 1.23 N ATOM 864 CA ASP A 59 17.905 15.001 -9.845 1.00 23.31 C ATOM 865 C ASP A 59 17.174 13.667 -9.958 1.00 74.05 C ATOM 866 O ASP A 59 17.794 12.624 -10.162 1.00 52.05 O ATOM 867 CB ASP A 59 18.303 15.256 -8.390 1.00 52.33 C ATOM 868 CG ASP A 59 19.204 14.170 -7.837 1.00 42.20 C ATOM 869 OD1 ASP A 59 18.674 13.145 -7.362 1.00 31.33 O ATOM 870 OD2 ASP A 59 20.440 14.346 -7.879 1.00 1.15 O ATOM 0 H ASP A 59 16.942 16.856 -9.681 1.00 1.23 H new ATOM 0 HA ASP A 59 18.806 14.955 -10.457 1.00 23.31 H new ATOM 0 HB2 ASP A 59 18.812 16.217 -8.319 1.00 52.33 H new ATOM 0 HB3 ASP A 59 17.404 15.325 -7.777 1.00 52.33 H new ATOM 875 N GLU A 60 15.852 13.709 -9.824 1.00 13.53 N ATOM 876 CA GLU A 60 15.037 12.503 -9.909 1.00 53.44 C ATOM 877 C GLU A 60 14.742 12.148 -11.364 1.00 13.31 C ATOM 878 O GLU A 60 14.436 11.000 -11.684 1.00 31.31 O ATOM 879 CB GLU A 60 13.726 12.692 -9.143 1.00 32.50 C ATOM 880 CG GLU A 60 13.920 12.930 -7.655 1.00 54.30 C ATOM 881 CD GLU A 60 13.490 11.745 -6.813 1.00 74.30 C ATOM 882 OE1 GLU A 60 14.087 10.659 -6.967 1.00 74.05 O ATOM 883 OE2 GLU A 60 12.556 11.904 -5.999 1.00 73.41 O ATOM 0 H GLU A 60 15.323 14.565 -9.656 1.00 13.53 H new ATOM 0 HA GLU A 60 15.597 11.684 -9.459 1.00 53.44 H new ATOM 0 HB2 GLU A 60 13.184 13.536 -9.570 1.00 32.50 H new ATOM 0 HB3 GLU A 60 13.103 11.809 -9.283 1.00 32.50 H new ATOM 0 HG2 GLU A 60 14.970 13.148 -7.460 1.00 54.30 H new ATOM 0 HG3 GLU A 60 13.351 13.810 -7.355 1.00 54.30 H new ATOM 890 N SER A 61 14.835 13.143 -12.241 1.00 4.15 N ATOM 891 CA SER A 61 14.575 12.938 -13.660 1.00 74.24 C ATOM 892 C SER A 61 15.718 12.172 -14.318 1.00 25.43 C ATOM 893 O SER A 61 15.534 11.520 -15.346 1.00 64.44 O ATOM 894 CB SER A 61 14.376 14.282 -14.364 1.00 34.14 C ATOM 895 OG SER A 61 14.931 14.263 -15.667 1.00 25.20 O ATOM 0 H SER A 61 15.089 14.099 -11.993 1.00 4.15 H new ATOM 0 HA SER A 61 13.664 12.348 -13.754 1.00 74.24 H new ATOM 0 HB2 SER A 61 13.312 14.511 -14.422 1.00 34.14 H new ATOM 0 HB3 SER A 61 14.842 15.075 -13.779 1.00 34.14 H new ATOM 0 HG SER A 61 14.789 15.133 -16.096 1.00 25.20 H new ATOM 901 N LEU A 62 16.900 12.255 -13.717 1.00 21.05 N ATOM 902 CA LEU A 62 18.076 11.570 -14.242 1.00 70.21 C ATOM 903 C LEU A 62 17.777 10.097 -14.502 1.00 22.23 C ATOM 904 O LEU A 62 17.869 9.608 -15.628 1.00 42.52 O ATOM 905 CB LEU A 62 19.246 11.700 -13.265 1.00 53.20 C ATOM 906 CG LEU A 62 20.363 12.658 -13.680 1.00 0.23 C ATOM 907 CD1 LEU A 62 20.837 13.474 -12.487 1.00 30.21 C ATOM 908 CD2 LEU A 62 21.522 11.890 -14.297 1.00 64.04 C ATOM 0 H LEU A 62 17.069 12.790 -12.865 1.00 21.05 H new ATOM 0 HA LEU A 62 18.347 12.039 -15.188 1.00 70.21 H new ATOM 0 HB2 LEU A 62 18.854 12.026 -12.301 1.00 53.20 H new ATOM 0 HB3 LEU A 62 19.680 10.711 -13.115 1.00 53.20 H new ATOM 0 HG LEU A 62 19.968 13.344 -14.429 1.00 0.23 H new ATOM 0 HD11 LEU A 62 21.632 14.150 -12.801 1.00 30.21 H new ATOM 0 HD12 LEU A 62 20.004 14.054 -12.089 1.00 30.21 H new ATOM 0 HD13 LEU A 62 21.215 12.804 -11.715 1.00 30.21 H new ATOM 0 HD21 LEU A 62 22.308 12.588 -14.586 1.00 64.04 H new ATOM 0 HD22 LEU A 62 21.917 11.180 -13.570 1.00 64.04 H new ATOM 0 HD23 LEU A 62 21.173 11.351 -15.178 1.00 64.04 H new ATOM 920 N PRO A 63 17.408 9.371 -13.436 1.00 25.31 N ATOM 921 CA PRO A 63 17.086 7.943 -13.524 1.00 13.54 C ATOM 922 C PRO A 63 15.781 7.689 -14.271 1.00 42.00 C ATOM 923 O PRO A 63 15.698 6.789 -15.107 1.00 44.54 O ATOM 924 CB PRO A 63 16.954 7.519 -12.059 1.00 23.22 C ATOM 925 CG PRO A 63 16.588 8.768 -11.334 1.00 22.42 C ATOM 926 CD PRO A 63 17.278 9.887 -12.063 1.00 52.31 C ATOM 0 HA PRO A 63 17.843 7.387 -14.077 1.00 13.54 H new ATOM 0 HB2 PRO A 63 16.190 6.752 -11.936 1.00 23.22 H new ATOM 0 HB3 PRO A 63 17.888 7.102 -11.682 1.00 23.22 H new ATOM 0 HG2 PRO A 63 15.508 8.914 -11.328 1.00 22.42 H new ATOM 0 HG3 PRO A 63 16.909 8.724 -10.293 1.00 22.42 H new ATOM 0 HD2 PRO A 63 16.694 10.807 -12.033 1.00 52.31 H new ATOM 0 HD3 PRO A 63 18.250 10.113 -11.625 1.00 52.31 H new ATOM 934 N VAL A 64 14.763 8.487 -13.965 1.00 4.45 N ATOM 935 CA VAL A 64 13.463 8.349 -14.609 1.00 13.53 C ATOM 936 C VAL A 64 13.602 8.314 -16.126 1.00 62.15 C ATOM 937 O VAL A 64 12.894 7.572 -16.809 1.00 1.11 O ATOM 938 CB VAL A 64 12.518 9.501 -14.218 1.00 11.41 C ATOM 939 CG1 VAL A 64 11.216 9.414 -15.000 1.00 65.43 C ATOM 940 CG2 VAL A 64 12.251 9.486 -12.720 1.00 42.33 C ATOM 0 H VAL A 64 14.814 9.236 -13.275 1.00 4.45 H new ATOM 0 HA VAL A 64 13.038 7.406 -14.264 1.00 13.53 H new ATOM 0 HB VAL A 64 13.002 10.445 -14.469 1.00 11.41 H new ATOM 0 HG11 VAL A 64 10.562 10.236 -14.710 1.00 65.43 H new ATOM 0 HG12 VAL A 64 11.428 9.478 -16.067 1.00 65.43 H new ATOM 0 HG13 VAL A 64 10.724 8.465 -14.784 1.00 65.43 H new ATOM 0 HG21 VAL A 64 11.582 10.307 -12.461 1.00 42.33 H new ATOM 0 HG22 VAL A 64 11.788 8.539 -12.442 1.00 42.33 H new ATOM 0 HG23 VAL A 64 13.192 9.602 -12.182 1.00 42.33 H new ATOM 950 N LEU A 65 14.520 9.120 -16.650 1.00 34.34 N ATOM 951 CA LEU A 65 14.753 9.181 -18.088 1.00 65.33 C ATOM 952 C LEU A 65 16.033 8.440 -18.464 1.00 32.20 C ATOM 953 O LEU A 65 16.914 8.213 -17.635 1.00 30.53 O ATOM 954 CB LEU A 65 14.839 10.637 -18.550 1.00 25.44 C ATOM 955 CG LEU A 65 13.506 11.338 -18.810 1.00 11.24 C ATOM 956 CD1 LEU A 65 12.818 10.742 -20.028 1.00 13.02 C ATOM 957 CD2 LEU A 65 12.606 11.243 -17.586 1.00 52.04 C ATOM 0 H LEU A 65 15.115 9.740 -16.100 1.00 34.34 H new ATOM 0 HA LEU A 65 13.914 8.697 -18.588 1.00 65.33 H new ATOM 0 HB2 LEU A 65 15.384 11.205 -17.796 1.00 25.44 H new ATOM 0 HB3 LEU A 65 15.430 10.673 -19.465 1.00 25.44 H new ATOM 0 HG LEU A 65 13.704 12.391 -19.010 1.00 11.24 H new ATOM 0 HD11 LEU A 65 11.871 11.254 -20.197 1.00 13.02 H new ATOM 0 HD12 LEU A 65 13.457 10.863 -20.903 1.00 13.02 H new ATOM 0 HD13 LEU A 65 12.632 9.681 -19.858 1.00 13.02 H new ATOM 0 HD21 LEU A 65 11.661 11.747 -17.789 1.00 52.04 H new ATOM 0 HD22 LEU A 65 12.415 10.195 -17.355 1.00 52.04 H new ATOM 0 HD23 LEU A 65 13.096 11.719 -16.736 1.00 52.04 H new ATOM 969 N PRO A 66 16.140 8.055 -19.745 1.00 10.45 N ATOM 970 CA PRO A 66 17.309 7.337 -20.260 1.00 42.11 C ATOM 971 C PRO A 66 18.552 8.219 -20.319 1.00 31.24 C ATOM 972 O PRO A 66 18.495 9.358 -20.781 1.00 30.04 O ATOM 973 CB PRO A 66 16.879 6.925 -21.670 1.00 40.12 C ATOM 974 CG PRO A 66 15.844 7.924 -22.058 1.00 3.53 C ATOM 975 CD PRO A 66 15.128 8.293 -20.788 1.00 23.22 C ATOM 0 HA PRO A 66 17.586 6.498 -19.621 1.00 42.11 H new ATOM 0 HB2 PRO A 66 17.722 6.940 -22.361 1.00 40.12 H new ATOM 0 HB3 PRO A 66 16.476 5.912 -21.681 1.00 40.12 H new ATOM 0 HG2 PRO A 66 16.301 8.801 -22.517 1.00 3.53 H new ATOM 0 HG3 PRO A 66 15.152 7.505 -22.789 1.00 3.53 H new ATOM 0 HD2 PRO A 66 14.799 9.332 -20.799 1.00 23.22 H new ATOM 0 HD3 PRO A 66 14.240 7.679 -20.634 1.00 23.22 H new ATOM 983 N ALA A 67 19.674 7.684 -19.848 1.00 12.23 N ATOM 984 CA ALA A 67 20.931 8.422 -19.849 1.00 51.10 C ATOM 985 C ALA A 67 21.244 8.971 -21.237 1.00 32.21 C ATOM 986 O ALA A 67 21.287 8.224 -22.215 1.00 3.33 O ATOM 987 CB ALA A 67 22.066 7.533 -19.363 1.00 35.51 C ATOM 0 H ALA A 67 19.738 6.742 -19.461 1.00 12.23 H new ATOM 0 HA ALA A 67 20.828 9.266 -19.167 1.00 51.10 H new ATOM 0 HB1 ALA A 67 22.998 8.097 -19.369 1.00 35.51 H new ATOM 0 HB2 ALA A 67 21.854 7.194 -18.349 1.00 35.51 H new ATOM 0 HB3 ALA A 67 22.160 6.670 -20.022 1.00 35.51 H new ATOM 993 N SER A 68 21.461 10.280 -21.316 1.00 35.14 N ATOM 994 CA SER A 68 21.765 10.929 -22.585 1.00 40.32 C ATOM 995 C SER A 68 21.931 12.435 -22.400 1.00 34.45 C ATOM 996 O SER A 68 22.737 13.072 -23.079 1.00 34.43 O ATOM 997 CB SER A 68 20.659 10.648 -23.604 1.00 50.32 C ATOM 998 OG SER A 68 20.585 11.679 -24.574 1.00 0.11 O ATOM 0 H SER A 68 21.432 10.912 -20.516 1.00 35.14 H new ATOM 0 HA SER A 68 22.705 10.521 -22.957 1.00 40.32 H new ATOM 0 HB2 SER A 68 20.848 9.694 -24.096 1.00 50.32 H new ATOM 0 HB3 SER A 68 19.702 10.558 -23.091 1.00 50.32 H new ATOM 0 HG SER A 68 19.872 11.475 -25.214 1.00 0.11 H new ATOM 1004 N THR A 69 21.161 12.999 -21.474 1.00 30.53 N ATOM 1005 CA THR A 69 21.220 14.428 -21.198 1.00 41.40 C ATOM 1006 C THR A 69 21.595 14.693 -19.744 1.00 54.02 C ATOM 1007 O THR A 69 21.239 15.728 -19.179 1.00 71.05 O ATOM 1008 CB THR A 69 19.876 15.115 -21.503 1.00 53.42 C ATOM 1009 OG1 THR A 69 19.994 16.530 -21.312 1.00 73.40 O ATOM 1010 CG2 THR A 69 18.773 14.568 -20.609 1.00 41.05 C ATOM 0 H THR A 69 20.489 12.487 -20.903 1.00 30.53 H new ATOM 0 HA THR A 69 21.988 14.844 -21.850 1.00 41.40 H new ATOM 0 HB THR A 69 19.616 14.909 -22.541 1.00 53.42 H new ATOM 0 HG1 THR A 69 20.304 16.712 -20.401 1.00 73.40 H new ATOM 0 HG21 THR A 69 17.833 15.068 -20.843 1.00 41.05 H new ATOM 0 HG22 THR A 69 18.665 13.497 -20.778 1.00 41.05 H new ATOM 0 HG23 THR A 69 19.029 14.747 -19.565 1.00 41.05 H new ATOM 1018 N HIS A 70 22.315 13.752 -19.143 1.00 23.22 N ATOM 1019 CA HIS A 70 22.739 13.885 -17.754 1.00 24.45 C ATOM 1020 C HIS A 70 23.867 14.905 -17.625 1.00 32.42 C ATOM 1021 O HIS A 70 24.000 15.570 -16.598 1.00 25.14 O ATOM 1022 CB HIS A 70 23.195 12.532 -17.206 1.00 31.23 C ATOM 1023 CG HIS A 70 24.217 11.851 -18.064 1.00 12.53 C ATOM 1024 ND1 HIS A 70 23.887 10.972 -19.073 1.00 32.20 N ATOM 1025 CD2 HIS A 70 25.568 11.927 -18.060 1.00 2.42 C ATOM 1026 CE1 HIS A 70 24.991 10.535 -19.652 1.00 20.45 C ATOM 1027 NE2 HIS A 70 26.025 11.100 -19.056 1.00 25.34 N ATOM 0 H HIS A 70 22.617 12.889 -19.596 1.00 23.22 H new ATOM 0 HA HIS A 70 21.887 14.236 -17.172 1.00 24.45 H new ATOM 0 HB2 HIS A 70 23.608 12.674 -16.207 1.00 31.23 H new ATOM 0 HB3 HIS A 70 22.327 11.880 -17.102 1.00 31.23 H new ATOM 0 HD2 HIS A 70 26.174 12.527 -17.397 1.00 2.42 H new ATOM 0 HE1 HIS A 70 25.040 9.835 -20.473 1.00 20.45 H new ATOM 0 HE2 HIS A 70 27.004 10.947 -19.297 1.00 25.34 H new ATOM 1035 N ARG A 71 24.675 15.021 -18.673 1.00 42.32 N ATOM 1036 CA ARG A 71 25.792 15.958 -18.676 1.00 50.42 C ATOM 1037 C ARG A 71 25.328 17.359 -18.287 1.00 34.10 C ATOM 1038 O ARG A 71 25.704 17.878 -17.237 1.00 20.12 O ATOM 1039 CB ARG A 71 26.452 15.994 -20.056 1.00 23.54 C ATOM 1040 CG ARG A 71 27.819 16.658 -20.060 1.00 3.02 C ATOM 1041 CD ARG A 71 28.619 16.280 -21.297 1.00 32.11 C ATOM 1042 NE ARG A 71 29.772 15.446 -20.969 1.00 44.44 N ATOM 1043 CZ ARG A 71 30.884 15.916 -20.413 1.00 72.51 C ATOM 1044 NH1 ARG A 71 30.991 17.205 -20.123 1.00 72.14 N ATOM 1045 NH2 ARG A 71 31.891 15.094 -20.145 1.00 13.11 N ATOM 0 H ARG A 71 24.577 14.478 -19.531 1.00 42.32 H new ATOM 0 HA ARG A 71 26.521 15.617 -17.940 1.00 50.42 H new ATOM 0 HB2 ARG A 71 26.552 14.974 -20.428 1.00 23.54 H new ATOM 0 HB3 ARG A 71 25.798 16.524 -20.749 1.00 23.54 H new ATOM 0 HG2 ARG A 71 27.699 17.741 -20.020 1.00 3.02 H new ATOM 0 HG3 ARG A 71 28.369 16.365 -19.166 1.00 3.02 H new ATOM 0 HD2 ARG A 71 27.974 15.748 -21.997 1.00 32.11 H new ATOM 0 HD3 ARG A 71 28.958 17.186 -21.800 1.00 32.11 H new ATOM 0 HE ARG A 71 29.721 14.449 -21.178 1.00 44.44 H new ATOM 0 HH11 ARG A 71 30.219 17.839 -20.326 1.00 72.14 H new ATOM 0 HH12 ARG A 71 31.846 17.563 -19.696 1.00 72.14 H new ATOM 0 HH21 ARG A 71 31.812 14.101 -20.366 1.00 13.11 H new ATOM 0 HH22 ARG A 71 32.744 15.455 -19.718 1.00 13.11 H new ATOM 1059 N GLU A 72 24.508 17.964 -19.141 1.00 64.04 N ATOM 1060 CA GLU A 72 23.994 19.305 -18.887 1.00 24.44 C ATOM 1061 C GLU A 72 23.272 19.364 -17.544 1.00 10.22 C ATOM 1062 O GLU A 72 23.488 20.282 -16.751 1.00 72.43 O ATOM 1063 CB GLU A 72 23.046 19.733 -20.008 1.00 75.31 C ATOM 1064 CG GLU A 72 21.933 18.734 -20.279 1.00 22.42 C ATOM 1065 CD GLU A 72 21.132 19.075 -21.520 1.00 61.33 C ATOM 1066 OE1 GLU A 72 20.172 19.866 -21.407 1.00 60.43 O ATOM 1067 OE2 GLU A 72 21.465 18.551 -22.604 1.00 55.20 O ATOM 0 H GLU A 72 24.186 17.547 -20.014 1.00 64.04 H new ATOM 0 HA GLU A 72 24.840 19.991 -18.856 1.00 24.44 H new ATOM 0 HB2 GLU A 72 22.604 20.696 -19.751 1.00 75.31 H new ATOM 0 HB3 GLU A 72 23.621 19.880 -20.922 1.00 75.31 H new ATOM 0 HG2 GLU A 72 22.363 17.739 -20.391 1.00 22.42 H new ATOM 0 HG3 GLU A 72 21.265 18.698 -19.419 1.00 22.42 H new ATOM 1074 N ILE A 73 22.414 18.380 -17.296 1.00 52.52 N ATOM 1075 CA ILE A 73 21.660 18.320 -16.050 1.00 41.51 C ATOM 1076 C ILE A 73 22.588 18.394 -14.842 1.00 50.13 C ATOM 1077 O ILE A 73 22.272 19.040 -13.844 1.00 20.34 O ATOM 1078 CB ILE A 73 20.821 17.032 -15.961 1.00 62.00 C ATOM 1079 CG1 ILE A 73 19.731 17.032 -17.035 1.00 21.13 C ATOM 1080 CG2 ILE A 73 20.208 16.894 -14.576 1.00 13.03 C ATOM 1081 CD1 ILE A 73 19.089 15.678 -17.244 1.00 44.23 C ATOM 0 H ILE A 73 22.224 17.614 -17.942 1.00 52.52 H new ATOM 0 HA ILE A 73 20.991 19.180 -16.044 1.00 41.51 H new ATOM 0 HB ILE A 73 21.475 16.177 -16.134 1.00 62.00 H new ATOM 0 HG12 ILE A 73 18.960 17.752 -16.759 1.00 21.13 H new ATOM 0 HG13 ILE A 73 20.161 17.371 -17.978 1.00 21.13 H new ATOM 0 HG21 ILE A 73 19.618 15.979 -14.529 1.00 13.03 H new ATOM 0 HG22 ILE A 73 21.001 16.853 -13.829 1.00 13.03 H new ATOM 0 HG23 ILE A 73 19.565 17.751 -14.376 1.00 13.03 H new ATOM 0 HD11 ILE A 73 18.326 15.753 -18.019 1.00 44.23 H new ATOM 0 HD12 ILE A 73 19.848 14.959 -17.551 1.00 44.23 H new ATOM 0 HD13 ILE A 73 18.629 15.346 -16.313 1.00 44.23 H new ATOM 1093 N GLU A 74 23.735 17.729 -14.943 1.00 11.45 N ATOM 1094 CA GLU A 74 24.709 17.721 -13.858 1.00 24.12 C ATOM 1095 C GLU A 74 25.162 19.139 -13.522 1.00 20.01 C ATOM 1096 O GLU A 74 25.129 19.554 -12.364 1.00 12.30 O ATOM 1097 CB GLU A 74 25.919 16.864 -14.236 1.00 62.21 C ATOM 1098 CG GLU A 74 25.976 15.534 -13.504 1.00 33.33 C ATOM 1099 CD GLU A 74 26.178 15.698 -12.010 1.00 15.41 C ATOM 1100 OE1 GLU A 74 26.371 16.848 -11.561 1.00 60.22 O ATOM 1101 OE2 GLU A 74 26.142 14.679 -11.290 1.00 23.11 O ATOM 0 H GLU A 74 24.012 17.190 -15.763 1.00 11.45 H new ATOM 0 HA GLU A 74 24.230 17.293 -12.977 1.00 24.12 H new ATOM 0 HB2 GLU A 74 25.900 16.677 -15.310 1.00 62.21 H new ATOM 0 HB3 GLU A 74 26.830 17.424 -14.026 1.00 62.21 H new ATOM 0 HG2 GLU A 74 25.052 14.985 -13.684 1.00 33.33 H new ATOM 0 HG3 GLU A 74 26.788 14.933 -13.913 1.00 33.33 H new ATOM 1108 N MET A 75 25.585 19.876 -14.543 1.00 42.34 N ATOM 1109 CA MET A 75 26.044 21.248 -14.357 1.00 21.10 C ATOM 1110 C MET A 75 24.875 22.174 -14.037 1.00 33.43 C ATOM 1111 O MET A 75 25.052 23.220 -13.414 1.00 20.13 O ATOM 1112 CB MET A 75 26.771 21.740 -15.610 1.00 72.01 C ATOM 1113 CG MET A 75 27.937 20.856 -16.023 1.00 13.32 C ATOM 1114 SD MET A 75 29.392 21.098 -14.986 1.00 63.24 S ATOM 1115 CE MET A 75 30.687 21.128 -16.223 1.00 43.44 C ATOM 0 H MET A 75 25.620 19.547 -15.508 1.00 42.34 H new ATOM 0 HA MET A 75 26.736 21.262 -13.515 1.00 21.10 H new ATOM 0 HB2 MET A 75 26.060 21.797 -16.434 1.00 72.01 H new ATOM 0 HB3 MET A 75 27.137 22.751 -15.434 1.00 72.01 H new ATOM 0 HG2 MET A 75 27.631 19.811 -15.975 1.00 13.32 H new ATOM 0 HG3 MET A 75 28.196 21.065 -17.061 1.00 13.32 H new ATOM 0 HE1 MET A 75 31.652 21.271 -15.736 1.00 43.44 H new ATOM 0 HE2 MET A 75 30.692 20.184 -16.768 1.00 43.44 H new ATOM 0 HE3 MET A 75 30.507 21.947 -16.919 1.00 43.44 H new ATOM 1125 N ALA A 76 23.680 21.781 -14.467 1.00 41.20 N ATOM 1126 CA ALA A 76 22.482 22.575 -14.224 1.00 41.23 C ATOM 1127 C ALA A 76 22.164 22.647 -12.735 1.00 11.53 C ATOM 1128 O ALA A 76 21.629 23.646 -12.253 1.00 61.14 O ATOM 1129 CB ALA A 76 21.302 21.997 -14.991 1.00 14.14 C ATOM 0 H ALA A 76 23.516 20.918 -14.985 1.00 41.20 H new ATOM 0 HA ALA A 76 22.670 23.589 -14.578 1.00 41.23 H new ATOM 0 HB1 ALA A 76 20.414 22.600 -14.800 1.00 14.14 H new ATOM 0 HB2 ALA A 76 21.523 22.004 -16.058 1.00 14.14 H new ATOM 0 HB3 ALA A 76 21.122 20.973 -14.664 1.00 14.14 H new ATOM 1135 N GLN A 77 22.496 21.583 -12.011 1.00 55.11 N ATOM 1136 CA GLN A 77 22.243 21.527 -10.576 1.00 61.41 C ATOM 1137 C GLN A 77 22.903 22.701 -9.861 1.00 31.12 C ATOM 1138 O GLN A 77 22.232 23.499 -9.205 1.00 63.23 O ATOM 1139 CB GLN A 77 22.758 20.207 -9.998 1.00 11.42 C ATOM 1140 CG GLN A 77 21.653 19.284 -9.510 1.00 52.34 C ATOM 1141 CD GLN A 77 22.189 18.031 -8.847 1.00 43.13 C ATOM 1142 OE1 GLN A 77 22.920 17.254 -9.462 1.00 73.53 O ATOM 1143 NE2 GLN A 77 21.829 17.828 -7.585 1.00 42.24 N ATOM 0 H GLN A 77 22.940 20.749 -12.394 1.00 55.11 H new ATOM 0 HA GLN A 77 21.166 21.589 -10.419 1.00 61.41 H new ATOM 0 HB2 GLN A 77 23.342 19.690 -10.759 1.00 11.42 H new ATOM 0 HB3 GLN A 77 23.433 20.422 -9.170 1.00 11.42 H new ATOM 0 HG2 GLN A 77 21.021 19.822 -8.804 1.00 52.34 H new ATOM 0 HG3 GLN A 77 21.021 19.003 -10.353 1.00 52.34 H new ATOM 0 HE21 GLN A 77 21.221 18.498 -7.114 1.00 42.24 H new ATOM 0 HE22 GLN A 77 22.160 17.002 -7.087 1.00 42.24 H new ATOM 1152 N LYS A 78 24.221 22.801 -9.990 1.00 44.04 N ATOM 1153 CA LYS A 78 24.973 23.878 -9.358 1.00 4.15 C ATOM 1154 C LYS A 78 24.422 25.240 -9.767 1.00 44.14 C ATOM 1155 O LYS A 78 24.309 26.149 -8.944 1.00 31.25 O ATOM 1156 CB LYS A 78 26.454 23.782 -9.731 1.00 63.20 C ATOM 1157 CG LYS A 78 27.370 23.574 -8.537 1.00 63.45 C ATOM 1158 CD LYS A 78 28.132 22.263 -8.641 1.00 32.21 C ATOM 1159 CE LYS A 78 29.443 22.318 -7.873 1.00 23.14 C ATOM 1160 NZ LYS A 78 30.524 22.966 -8.666 1.00 62.42 N ATOM 0 H LYS A 78 24.791 22.148 -10.527 1.00 44.04 H new ATOM 0 HA LYS A 78 24.869 23.774 -8.278 1.00 4.15 H new ATOM 0 HB2 LYS A 78 26.591 22.958 -10.431 1.00 63.20 H new ATOM 0 HB3 LYS A 78 26.749 24.694 -10.250 1.00 63.20 H new ATOM 0 HG2 LYS A 78 28.076 24.402 -8.470 1.00 63.45 H new ATOM 0 HG3 LYS A 78 26.781 23.582 -7.620 1.00 63.45 H new ATOM 0 HD2 LYS A 78 27.516 21.451 -8.254 1.00 32.21 H new ATOM 0 HD3 LYS A 78 28.332 22.039 -9.689 1.00 32.21 H new ATOM 0 HE2 LYS A 78 29.296 22.867 -6.943 1.00 23.14 H new ATOM 0 HE3 LYS A 78 29.748 21.307 -7.602 1.00 23.14 H new ATOM 0 HZ1 LYS A 78 31.401 22.984 -8.108 1.00 62.42 H new ATOM 0 HZ2 LYS A 78 30.682 22.428 -9.542 1.00 62.42 H new ATOM 0 HZ3 LYS A 78 30.245 23.939 -8.903 1.00 62.42 H new ATOM 1174 N LEU A 79 24.080 25.375 -11.044 1.00 22.12 N ATOM 1175 CA LEU A 79 23.539 26.626 -11.563 1.00 10.32 C ATOM 1176 C LEU A 79 22.341 27.085 -10.738 1.00 12.00 C ATOM 1177 O LEU A 79 22.303 28.217 -10.255 1.00 10.43 O ATOM 1178 CB LEU A 79 23.131 26.460 -13.028 1.00 35.45 C ATOM 1179 CG LEU A 79 23.562 27.579 -13.976 1.00 60.52 C ATOM 1180 CD1 LEU A 79 24.889 27.237 -14.636 1.00 73.33 C ATOM 1181 CD2 LEU A 79 22.490 27.830 -15.027 1.00 64.30 C ATOM 0 H LEU A 79 24.168 24.633 -11.739 1.00 22.12 H new ATOM 0 HA LEU A 79 24.317 27.386 -11.493 1.00 10.32 H new ATOM 0 HB2 LEU A 79 23.545 25.521 -13.395 1.00 35.45 H new ATOM 0 HB3 LEU A 79 22.046 26.370 -13.074 1.00 35.45 H new ATOM 0 HG LEU A 79 23.693 28.492 -13.395 1.00 60.52 H new ATOM 0 HD11 LEU A 79 25.180 28.045 -15.307 1.00 73.33 H new ATOM 0 HD12 LEU A 79 25.654 27.108 -13.870 1.00 73.33 H new ATOM 0 HD13 LEU A 79 24.785 26.313 -15.204 1.00 73.33 H new ATOM 0 HD21 LEU A 79 22.814 28.630 -15.693 1.00 64.30 H new ATOM 0 HD22 LEU A 79 22.327 26.920 -15.605 1.00 64.30 H new ATOM 0 HD23 LEU A 79 21.561 28.120 -14.537 1.00 64.30 H new ATOM 1193 N LEU A 80 21.364 26.198 -10.579 1.00 4.41 N ATOM 1194 CA LEU A 80 20.165 26.511 -9.810 1.00 32.01 C ATOM 1195 C LEU A 80 20.528 27.053 -8.431 1.00 53.53 C ATOM 1196 O LEU A 80 19.919 28.008 -7.949 1.00 64.13 O ATOM 1197 CB LEU A 80 19.289 25.265 -9.666 1.00 15.51 C ATOM 1198 CG LEU A 80 18.336 24.977 -10.827 1.00 23.10 C ATOM 1199 CD1 LEU A 80 18.695 23.659 -11.497 1.00 11.53 C ATOM 1200 CD2 LEU A 80 16.894 24.955 -10.341 1.00 43.23 C ATOM 0 H LEU A 80 21.379 25.257 -10.972 1.00 4.41 H new ATOM 0 HA LEU A 80 19.609 27.279 -10.347 1.00 32.01 H new ATOM 0 HB2 LEU A 80 19.940 24.401 -9.534 1.00 15.51 H new ATOM 0 HB3 LEU A 80 18.700 25.363 -8.754 1.00 15.51 H new ATOM 0 HG LEU A 80 18.438 25.775 -11.562 1.00 23.10 H new ATOM 0 HD11 LEU A 80 18.007 23.470 -12.321 1.00 11.53 H new ATOM 0 HD12 LEU A 80 19.714 23.711 -11.880 1.00 11.53 H new ATOM 0 HD13 LEU A 80 18.622 22.850 -10.770 1.00 11.53 H new ATOM 0 HD21 LEU A 80 16.230 24.749 -11.181 1.00 43.23 H new ATOM 0 HD22 LEU A 80 16.776 24.178 -9.586 1.00 43.23 H new ATOM 0 HD23 LEU A 80 16.641 25.923 -9.908 1.00 43.23 H new ATOM 1212 N ASN A 81 21.525 26.439 -7.803 1.00 12.01 N ATOM 1213 CA ASN A 81 21.970 26.862 -6.480 1.00 63.50 C ATOM 1214 C ASN A 81 22.251 28.361 -6.454 1.00 23.22 C ATOM 1215 O ASN A 81 21.575 29.117 -5.757 1.00 1.40 O ATOM 1216 CB ASN A 81 23.226 26.089 -6.071 1.00 31.30 C ATOM 1217 CG ASN A 81 23.058 25.373 -4.745 1.00 32.13 C ATOM 1218 OD1 ASN A 81 22.011 24.562 -4.638 1.00 33.41 O flip ATOM 1219 ND2 ASN A 81 23.860 25.547 -3.827 1.00 42.55 N flip ATOM 0 H ASN A 81 22.040 25.647 -8.188 1.00 12.01 H new ATOM 0 HA ASN A 81 21.172 26.648 -5.769 1.00 63.50 H new ATOM 0 HB2 ASN A 81 23.470 25.362 -6.845 1.00 31.30 H new ATOM 0 HB3 ASN A 81 24.068 26.778 -6.005 1.00 31.30 H new ATOM 0 HD21 ASN A 81 24.650 26.179 -3.953 1.00 42.55 H new ATOM 0 HD22 ASN A 81 23.734 25.059 -2.940 1.00 42.55 H new ATOM 1226 N SER A 82 23.253 28.783 -7.218 1.00 42.14 N ATOM 1227 CA SER A 82 23.626 30.191 -7.281 1.00 2.42 C ATOM 1228 C SER A 82 22.413 31.061 -7.595 1.00 12.32 C ATOM 1229 O SER A 82 22.202 32.101 -6.970 1.00 41.10 O ATOM 1230 CB SER A 82 24.710 30.407 -8.339 1.00 2.45 C ATOM 1231 OG SER A 82 25.086 31.772 -8.413 1.00 34.22 O ATOM 0 H SER A 82 23.821 28.170 -7.802 1.00 42.14 H new ATOM 0 HA SER A 82 24.017 30.481 -6.306 1.00 2.42 H new ATOM 0 HB2 SER A 82 25.582 29.799 -8.100 1.00 2.45 H new ATOM 0 HB3 SER A 82 24.346 30.074 -9.311 1.00 2.45 H new ATOM 0 HG SER A 82 25.781 31.883 -9.095 1.00 34.22 H new ATOM 1237 N ASP A 83 21.618 30.628 -8.567 1.00 41.11 N ATOM 1238 CA ASP A 83 20.425 31.366 -8.965 1.00 35.42 C ATOM 1239 C ASP A 83 19.514 31.613 -7.766 1.00 71.21 C ATOM 1240 O ASP A 83 19.018 32.723 -7.568 1.00 74.43 O ATOM 1241 CB ASP A 83 19.664 30.601 -10.049 1.00 63.25 C ATOM 1242 CG ASP A 83 20.517 30.331 -11.274 1.00 1.53 C ATOM 1243 OD1 ASP A 83 21.242 31.252 -11.706 1.00 33.04 O ATOM 1244 OD2 ASP A 83 20.459 29.200 -11.800 1.00 41.44 O ATOM 0 H ASP A 83 21.778 29.769 -9.094 1.00 41.11 H new ATOM 0 HA ASP A 83 20.741 32.330 -9.364 1.00 35.42 H new ATOM 0 HB2 ASP A 83 19.309 29.655 -9.641 1.00 63.25 H new ATOM 0 HB3 ASP A 83 18.783 31.172 -10.342 1.00 63.25 H new ATOM 1249 N LEU A 84 19.297 30.572 -6.970 1.00 25.13 N ATOM 1250 CA LEU A 84 18.445 30.675 -5.790 1.00 43.21 C ATOM 1251 C LEU A 84 18.868 31.850 -4.914 1.00 23.11 C ATOM 1252 O LEU A 84 18.104 32.793 -4.712 1.00 42.22 O ATOM 1253 CB LEU A 84 18.499 29.377 -4.983 1.00 34.11 C ATOM 1254 CG LEU A 84 17.663 29.348 -3.702 1.00 45.03 C ATOM 1255 CD1 LEU A 84 16.225 29.748 -3.994 1.00 24.42 C ATOM 1256 CD2 LEU A 84 17.716 27.969 -3.062 1.00 64.52 C ATOM 0 H LEU A 84 19.699 29.647 -7.120 1.00 25.13 H new ATOM 0 HA LEU A 84 17.422 30.845 -6.125 1.00 43.21 H new ATOM 0 HB2 LEU A 84 18.172 28.559 -5.625 1.00 34.11 H new ATOM 0 HB3 LEU A 84 19.538 29.179 -4.720 1.00 34.11 H new ATOM 0 HG LEU A 84 18.083 30.068 -3.000 1.00 45.03 H new ATOM 0 HD11 LEU A 84 15.645 29.722 -3.071 1.00 24.42 H new ATOM 0 HD12 LEU A 84 16.205 30.757 -4.407 1.00 24.42 H new ATOM 0 HD13 LEU A 84 15.793 29.053 -4.714 1.00 24.42 H new ATOM 0 HD21 LEU A 84 17.116 27.967 -2.152 1.00 64.52 H new ATOM 0 HD22 LEU A 84 17.322 27.229 -3.759 1.00 64.52 H new ATOM 0 HD23 LEU A 84 18.749 27.721 -2.816 1.00 64.52 H new ATOM 1268 N ALA A 85 20.091 31.786 -4.398 1.00 2.13 N ATOM 1269 CA ALA A 85 20.617 32.846 -3.547 1.00 5.31 C ATOM 1270 C ALA A 85 20.580 34.193 -4.261 1.00 72.03 C ATOM 1271 O ALA A 85 20.333 35.227 -3.642 1.00 11.12 O ATOM 1272 CB ALA A 85 22.038 32.517 -3.111 1.00 53.32 C ATOM 0 H ALA A 85 20.736 31.011 -4.554 1.00 2.13 H new ATOM 0 HA ALA A 85 19.984 32.915 -2.663 1.00 5.31 H new ATOM 0 HB1 ALA A 85 22.418 33.317 -2.476 1.00 53.32 H new ATOM 0 HB2 ALA A 85 22.040 31.580 -2.554 1.00 53.32 H new ATOM 0 HB3 ALA A 85 22.675 32.418 -3.990 1.00 53.32 H new ATOM 1278 N GLU A 86 20.827 34.172 -5.567 1.00 41.13 N ATOM 1279 CA GLU A 86 20.823 35.393 -6.364 1.00 54.15 C ATOM 1280 C GLU A 86 19.467 36.090 -6.285 1.00 61.54 C ATOM 1281 O GLU A 86 19.388 37.294 -6.037 1.00 63.54 O ATOM 1282 CB GLU A 86 21.162 35.078 -7.823 1.00 30.32 C ATOM 1283 CG GLU A 86 22.608 35.368 -8.188 1.00 21.04 C ATOM 1284 CD GLU A 86 22.886 35.177 -9.666 1.00 25.21 C ATOM 1285 OE1 GLU A 86 22.708 36.145 -10.434 1.00 3.11 O ATOM 1286 OE2 GLU A 86 23.283 34.058 -10.054 1.00 51.05 O ATOM 0 H GLU A 86 21.032 33.324 -6.095 1.00 41.13 H new ATOM 0 HA GLU A 86 21.581 36.063 -5.959 1.00 54.15 H new ATOM 0 HB2 GLU A 86 20.951 34.026 -8.017 1.00 30.32 H new ATOM 0 HB3 GLU A 86 20.508 35.660 -8.473 1.00 30.32 H new ATOM 0 HG2 GLU A 86 22.852 36.392 -7.906 1.00 21.04 H new ATOM 0 HG3 GLU A 86 23.262 34.714 -7.612 1.00 21.04 H new ATOM 1293 N LEU A 87 18.402 35.324 -6.499 1.00 3.34 N ATOM 1294 CA LEU A 87 17.049 35.867 -6.452 1.00 72.43 C ATOM 1295 C LEU A 87 16.701 36.344 -5.046 1.00 21.42 C ATOM 1296 O LEU A 87 16.290 37.488 -4.852 1.00 74.10 O ATOM 1297 CB LEU A 87 16.040 34.812 -6.909 1.00 72.34 C ATOM 1298 CG LEU A 87 16.315 34.163 -8.266 1.00 65.41 C ATOM 1299 CD1 LEU A 87 15.753 32.750 -8.306 1.00 42.22 C ATOM 1300 CD2 LEU A 87 15.728 35.005 -9.389 1.00 70.44 C ATOM 0 H LEU A 87 18.450 34.326 -6.706 1.00 3.34 H new ATOM 0 HA LEU A 87 17.004 36.722 -7.127 1.00 72.43 H new ATOM 0 HB2 LEU A 87 15.999 34.026 -6.155 1.00 72.34 H new ATOM 0 HB3 LEU A 87 15.053 35.273 -6.943 1.00 72.34 H new ATOM 0 HG LEU A 87 17.394 34.106 -8.408 1.00 65.41 H new ATOM 0 HD11 LEU A 87 15.958 32.304 -9.279 1.00 42.22 H new ATOM 0 HD12 LEU A 87 16.221 32.150 -7.526 1.00 42.22 H new ATOM 0 HD13 LEU A 87 14.676 32.782 -8.141 1.00 42.22 H new ATOM 0 HD21 LEU A 87 15.933 34.528 -10.347 1.00 70.44 H new ATOM 0 HD22 LEU A 87 14.650 35.094 -9.252 1.00 70.44 H new ATOM 0 HD23 LEU A 87 16.179 35.997 -9.374 1.00 70.44 H new ATOM 1312 N ILE A 88 16.871 35.460 -4.068 1.00 43.11 N ATOM 1313 CA ILE A 88 16.579 35.792 -2.679 1.00 54.44 C ATOM 1314 C ILE A 88 17.292 37.073 -2.259 1.00 33.15 C ATOM 1315 O ILE A 88 16.783 37.838 -1.440 1.00 44.14 O ATOM 1316 CB ILE A 88 16.990 34.653 -1.729 1.00 25.30 C ATOM 1317 CG1 ILE A 88 16.261 33.360 -2.101 1.00 40.22 C ATOM 1318 CG2 ILE A 88 16.699 35.035 -0.286 1.00 13.24 C ATOM 1319 CD1 ILE A 88 14.760 33.443 -1.932 1.00 41.32 C ATOM 0 H ILE A 88 17.209 34.509 -4.212 1.00 43.11 H new ATOM 0 HA ILE A 88 15.501 35.939 -2.610 1.00 54.44 H new ATOM 0 HB ILE A 88 18.062 34.485 -1.830 1.00 25.30 H new ATOM 0 HG12 ILE A 88 16.489 33.109 -3.137 1.00 40.22 H new ATOM 0 HG13 ILE A 88 16.644 32.546 -1.485 1.00 40.22 H new ATOM 0 HG21 ILE A 88 16.995 34.219 0.373 1.00 13.24 H new ATOM 0 HG22 ILE A 88 17.260 35.933 -0.027 1.00 13.24 H new ATOM 0 HG23 ILE A 88 15.633 35.227 -0.169 1.00 13.24 H new ATOM 0 HD11 ILE A 88 14.309 32.492 -2.214 1.00 41.32 H new ATOM 0 HD12 ILE A 88 14.523 33.663 -0.891 1.00 41.32 H new ATOM 0 HD13 ILE A 88 14.365 34.234 -2.569 1.00 41.32 H new ATOM 1331 N ASN A 89 18.472 37.300 -2.825 1.00 62.04 N ATOM 1332 CA ASN A 89 19.255 38.489 -2.510 1.00 4.10 C ATOM 1333 C ASN A 89 18.510 39.756 -2.918 1.00 74.14 C ATOM 1334 O ASN A 89 18.157 40.581 -2.076 1.00 14.13 O ATOM 1335 CB ASN A 89 20.612 38.433 -3.215 1.00 4.24 C ATOM 1336 CG ASN A 89 21.707 37.887 -2.319 1.00 20.54 C ATOM 1337 OD1 ASN A 89 21.661 38.042 -1.098 1.00 42.23 O ATOM 1338 ND2 ASN A 89 22.699 37.242 -2.922 1.00 52.24 N ATOM 0 H ASN A 89 18.907 36.676 -3.504 1.00 62.04 H new ATOM 0 HA ASN A 89 19.413 38.513 -1.432 1.00 4.10 H new ATOM 0 HB2 ASN A 89 20.530 37.810 -4.105 1.00 4.24 H new ATOM 0 HB3 ASN A 89 20.886 39.433 -3.550 1.00 4.24 H new ATOM 0 HD21 ASN A 89 23.463 36.852 -2.371 1.00 52.24 H new ATOM 0 HD22 ASN A 89 22.697 37.137 -3.937 1.00 52.24 H new ATOM 1345 N LYS A 90 18.272 39.903 -4.217 1.00 42.24 N ATOM 1346 CA LYS A 90 17.567 41.068 -4.740 1.00 32.54 C ATOM 1347 C LYS A 90 16.250 41.282 -4.001 1.00 14.01 C ATOM 1348 O LYS A 90 15.889 42.412 -3.672 1.00 75.34 O ATOM 1349 CB LYS A 90 17.302 40.900 -6.238 1.00 22.25 C ATOM 1350 CG LYS A 90 18.551 40.591 -7.045 1.00 21.41 C ATOM 1351 CD LYS A 90 18.687 41.519 -8.240 1.00 12.32 C ATOM 1352 CE LYS A 90 20.057 41.396 -8.889 1.00 11.24 C ATOM 1353 NZ LYS A 90 20.944 42.538 -8.532 1.00 61.11 N ATOM 0 H LYS A 90 18.557 39.229 -4.928 1.00 42.24 H new ATOM 0 HA LYS A 90 18.198 41.943 -4.585 1.00 32.54 H new ATOM 0 HB2 LYS A 90 16.578 40.098 -6.383 1.00 22.25 H new ATOM 0 HB3 LYS A 90 16.847 41.813 -6.623 1.00 22.25 H new ATOM 0 HG2 LYS A 90 19.430 40.686 -6.407 1.00 21.41 H new ATOM 0 HG3 LYS A 90 18.517 39.557 -7.388 1.00 21.41 H new ATOM 0 HD2 LYS A 90 17.914 41.286 -8.973 1.00 12.32 H new ATOM 0 HD3 LYS A 90 18.525 42.549 -7.922 1.00 12.32 H new ATOM 0 HE2 LYS A 90 20.524 40.462 -8.577 1.00 11.24 H new ATOM 0 HE3 LYS A 90 19.943 41.349 -9.972 1.00 11.24 H new ATOM 0 HZ1 LYS A 90 21.868 42.417 -8.994 1.00 61.11 H new ATOM 0 HZ2 LYS A 90 20.511 43.428 -8.852 1.00 61.11 H new ATOM 0 HZ3 LYS A 90 21.074 42.568 -7.501 1.00 61.11 H new ATOM 1367 N MET A 91 15.537 40.191 -3.742 1.00 21.53 N ATOM 1368 CA MET A 91 14.261 40.260 -3.039 1.00 42.21 C ATOM 1369 C MET A 91 14.418 40.968 -1.697 1.00 33.22 C ATOM 1370 O MET A 91 13.672 41.895 -1.381 1.00 51.34 O ATOM 1371 CB MET A 91 13.695 38.855 -2.825 1.00 50.11 C ATOM 1372 CG MET A 91 12.219 38.844 -2.462 1.00 20.52 C ATOM 1373 SD MET A 91 11.942 38.707 -0.685 1.00 41.23 S ATOM 1374 CE MET A 91 11.060 40.232 -0.362 1.00 52.11 C ATOM 0 H MET A 91 15.821 39.248 -4.008 1.00 21.53 H new ATOM 0 HA MET A 91 13.567 40.833 -3.653 1.00 42.21 H new ATOM 0 HB2 MET A 91 13.842 38.271 -3.733 1.00 50.11 H new ATOM 0 HB3 MET A 91 14.259 38.361 -2.034 1.00 50.11 H new ATOM 0 HG2 MET A 91 11.752 39.758 -2.829 1.00 20.52 H new ATOM 0 HG3 MET A 91 11.731 38.011 -2.967 1.00 20.52 H new ATOM 0 HE1 MET A 91 11.096 40.454 0.704 1.00 52.11 H new ATOM 0 HE2 MET A 91 11.525 41.046 -0.918 1.00 52.11 H new ATOM 0 HE3 MET A 91 10.021 40.125 -0.675 1.00 52.11 H new ATOM 1384 N LYS A 92 15.392 40.524 -0.909 1.00 53.43 N ATOM 1385 CA LYS A 92 15.647 41.115 0.399 1.00 43.21 C ATOM 1386 C LYS A 92 15.860 42.621 0.284 1.00 53.33 C ATOM 1387 O LYS A 92 15.510 43.379 1.190 1.00 64.02 O ATOM 1388 CB LYS A 92 16.873 40.465 1.045 1.00 72.44 C ATOM 1389 CG LYS A 92 16.646 39.023 1.464 1.00 34.34 C ATOM 1390 CD LYS A 92 16.185 38.929 2.909 1.00 24.55 C ATOM 1391 CE LYS A 92 15.351 37.680 3.148 1.00 32.44 C ATOM 1392 NZ LYS A 92 15.963 36.791 4.175 1.00 43.24 N ATOM 0 H LYS A 92 16.018 39.757 -1.154 1.00 53.43 H new ATOM 0 HA LYS A 92 14.774 40.936 1.027 1.00 43.21 H new ATOM 0 HB2 LYS A 92 17.707 40.504 0.344 1.00 72.44 H new ATOM 0 HB3 LYS A 92 17.164 41.047 1.919 1.00 72.44 H new ATOM 0 HG2 LYS A 92 15.900 38.567 0.813 1.00 34.34 H new ATOM 0 HG3 LYS A 92 17.569 38.457 1.338 1.00 34.34 H new ATOM 0 HD2 LYS A 92 17.053 38.920 3.569 1.00 24.55 H new ATOM 0 HD3 LYS A 92 15.600 39.813 3.164 1.00 24.55 H new ATOM 0 HE2 LYS A 92 14.349 37.968 3.468 1.00 32.44 H new ATOM 0 HE3 LYS A 92 15.242 37.132 2.212 1.00 32.44 H new ATOM 0 HZ1 LYS A 92 15.391 35.928 4.272 1.00 43.24 H new ATOM 0 HZ2 LYS A 92 16.928 36.536 3.883 1.00 43.24 H new ATOM 0 HZ3 LYS A 92 15.997 37.288 5.088 1.00 43.24 H new ATOM 1406 N LEU A 93 16.433 43.049 -0.836 1.00 14.22 N ATOM 1407 CA LEU A 93 16.690 44.466 -1.070 1.00 61.14 C ATOM 1408 C LEU A 93 15.387 45.227 -1.290 1.00 14.22 C ATOM 1409 O LEU A 93 15.065 46.154 -0.547 1.00 41.10 O ATOM 1410 CB LEU A 93 17.608 44.644 -2.281 1.00 40.00 C ATOM 1411 CG LEU A 93 18.933 43.881 -2.237 1.00 55.20 C ATOM 1412 CD1 LEU A 93 19.605 43.900 -3.601 1.00 73.21 C ATOM 1413 CD2 LEU A 93 19.853 44.471 -1.179 1.00 10.33 C ATOM 0 H LEU A 93 16.728 42.436 -1.596 1.00 14.22 H new ATOM 0 HA LEU A 93 17.181 44.872 -0.186 1.00 61.14 H new ATOM 0 HB2 LEU A 93 17.063 44.335 -3.173 1.00 40.00 H new ATOM 0 HB3 LEU A 93 17.827 45.706 -2.393 1.00 40.00 H new ATOM 0 HG LEU A 93 18.725 42.844 -1.972 1.00 55.20 H new ATOM 0 HD11 LEU A 93 20.546 43.352 -3.551 1.00 73.21 H new ATOM 0 HD12 LEU A 93 18.951 43.430 -4.335 1.00 73.21 H new ATOM 0 HD13 LEU A 93 19.800 44.931 -3.896 1.00 73.21 H new ATOM 0 HD21 LEU A 93 20.791 43.916 -1.162 1.00 10.33 H new ATOM 0 HD22 LEU A 93 20.054 45.516 -1.414 1.00 10.33 H new ATOM 0 HD23 LEU A 93 19.374 44.404 -0.202 1.00 10.33 H new ATOM 1425 N ALA A 94 14.639 44.828 -2.314 1.00 22.35 N ATOM 1426 CA ALA A 94 13.369 45.469 -2.628 1.00 53.20 C ATOM 1427 C ALA A 94 12.452 45.499 -1.410 1.00 22.24 C ATOM 1428 O ALA A 94 11.603 46.381 -1.282 1.00 63.43 O ATOM 1429 CB ALA A 94 12.688 44.753 -3.785 1.00 43.55 C ATOM 0 H ALA A 94 14.891 44.063 -2.940 1.00 22.35 H new ATOM 0 HA ALA A 94 13.574 46.499 -2.921 1.00 53.20 H new ATOM 0 HB1 ALA A 94 11.740 45.243 -4.009 1.00 43.55 H new ATOM 0 HB2 ALA A 94 13.331 44.789 -4.664 1.00 43.55 H new ATOM 0 HB3 ALA A 94 12.504 43.714 -3.512 1.00 43.55 H new ATOM 1435 N GLN A 95 12.630 44.529 -0.518 1.00 14.42 N ATOM 1436 CA GLN A 95 11.817 44.445 0.690 1.00 74.24 C ATOM 1437 C GLN A 95 12.101 45.619 1.621 1.00 63.50 C ATOM 1438 O GLN A 95 11.202 46.118 2.297 1.00 43.35 O ATOM 1439 CB GLN A 95 12.082 43.125 1.417 1.00 54.41 C ATOM 1440 CG GLN A 95 10.905 42.643 2.249 1.00 32.52 C ATOM 1441 CD GLN A 95 10.861 43.281 3.624 1.00 62.43 C ATOM 1442 OE1 GLN A 95 11.896 43.640 4.187 1.00 35.31 O ATOM 1443 NE2 GLN A 95 9.660 43.425 4.172 1.00 43.54 N ATOM 0 H GLN A 95 13.329 43.792 -0.609 1.00 14.42 H new ATOM 0 HA GLN A 95 10.768 44.485 0.396 1.00 74.24 H new ATOM 0 HB2 GLN A 95 12.335 42.360 0.683 1.00 54.41 H new ATOM 0 HB3 GLN A 95 12.950 43.245 2.065 1.00 54.41 H new ATOM 0 HG2 GLN A 95 9.977 42.863 1.721 1.00 32.52 H new ATOM 0 HG3 GLN A 95 10.961 41.560 2.357 1.00 32.52 H new ATOM 0 HE21 GLN A 95 8.829 43.113 3.669 1.00 43.54 H new ATOM 0 HE22 GLN A 95 9.568 43.848 5.096 1.00 43.54 H new ATOM 1452 N GLN A 96 13.357 46.052 1.651 1.00 2.42 N ATOM 1453 CA GLN A 96 13.760 47.167 2.501 1.00 74.20 C ATOM 1454 C GLN A 96 13.711 48.483 1.732 1.00 64.11 C ATOM 1455 O GLN A 96 13.588 49.555 2.324 1.00 4.41 O ATOM 1456 CB GLN A 96 15.168 46.934 3.050 1.00 44.53 C ATOM 1457 CG GLN A 96 16.247 46.938 1.978 1.00 31.43 C ATOM 1458 CD GLN A 96 17.640 47.107 2.553 1.00 74.23 C ATOM 1459 OE1 GLN A 96 18.195 46.183 3.148 1.00 35.03 O ATOM 1460 NE2 GLN A 96 18.213 48.291 2.376 1.00 0.53 N ATOM 0 H GLN A 96 14.113 45.649 1.097 1.00 2.42 H new ATOM 0 HA GLN A 96 13.059 47.228 3.334 1.00 74.20 H new ATOM 0 HB2 GLN A 96 15.395 47.706 3.785 1.00 44.53 H new ATOM 0 HB3 GLN A 96 15.191 45.978 3.574 1.00 44.53 H new ATOM 0 HG2 GLN A 96 16.200 46.004 1.417 1.00 31.43 H new ATOM 0 HG3 GLN A 96 16.049 47.744 1.272 1.00 31.43 H new ATOM 0 HE21 GLN A 96 17.716 49.029 1.876 1.00 0.53 H new ATOM 0 HE22 GLN A 96 19.150 48.463 2.739 1.00 0.53 H new ATOM 1469 N TYR A 97 13.809 48.394 0.410 1.00 24.22 N ATOM 1470 CA TYR A 97 13.780 49.578 -0.440 1.00 32.00 C ATOM 1471 C TYR A 97 12.374 49.828 -0.977 1.00 51.01 C ATOM 1472 O TYR A 97 12.201 50.374 -2.067 1.00 13.12 O ATOM 1473 CB TYR A 97 14.762 49.422 -1.602 1.00 75.44 C ATOM 1474 CG TYR A 97 16.210 49.579 -1.197 1.00 53.13 C ATOM 1475 CD1 TYR A 97 16.719 50.819 -0.833 1.00 10.31 C ATOM 1476 CD2 TYR A 97 17.069 48.487 -1.178 1.00 74.10 C ATOM 1477 CE1 TYR A 97 18.042 50.968 -0.463 1.00 34.31 C ATOM 1478 CE2 TYR A 97 18.392 48.626 -0.808 1.00 24.31 C ATOM 1479 CZ TYR A 97 18.874 49.868 -0.452 1.00 2.12 C ATOM 1480 OH TYR A 97 20.192 50.012 -0.082 1.00 70.54 O ATOM 0 H TYR A 97 13.909 47.514 -0.096 1.00 24.22 H new ATOM 0 HA TYR A 97 14.077 50.435 0.164 1.00 32.00 H new ATOM 0 HB2 TYR A 97 14.624 48.439 -2.053 1.00 75.44 H new ATOM 0 HB3 TYR A 97 14.526 50.161 -2.368 1.00 75.44 H new ATOM 0 HD1 TYR A 97 16.069 51.682 -0.839 1.00 10.31 H new ATOM 0 HD2 TYR A 97 16.695 47.513 -1.457 1.00 74.10 H new ATOM 0 HE1 TYR A 97 18.422 51.940 -0.184 1.00 34.31 H new ATOM 0 HE2 TYR A 97 19.046 47.767 -0.797 1.00 24.31 H new ATOM 0 HH TYR A 97 20.641 49.142 -0.126 1.00 70.54 H new ATOM 1490 N VAL A 98 11.371 49.425 -0.203 1.00 63.40 N ATOM 1491 CA VAL A 98 9.980 49.606 -0.598 1.00 74.43 C ATOM 1492 C VAL A 98 9.330 50.742 0.183 1.00 34.44 C ATOM 1493 O VAL A 98 8.457 51.442 -0.330 1.00 23.24 O ATOM 1494 CB VAL A 98 9.163 48.317 -0.384 1.00 43.05 C ATOM 1495 CG1 VAL A 98 9.131 47.943 1.090 1.00 43.53 C ATOM 1496 CG2 VAL A 98 7.754 48.483 -0.932 1.00 34.13 C ATOM 0 H VAL A 98 11.497 48.971 0.702 1.00 63.40 H new ATOM 0 HA VAL A 98 9.982 49.854 -1.659 1.00 74.43 H new ATOM 0 HB VAL A 98 9.647 47.506 -0.929 1.00 43.05 H new ATOM 0 HG11 VAL A 98 8.550 47.030 1.221 1.00 43.53 H new ATOM 0 HG12 VAL A 98 10.148 47.780 1.446 1.00 43.53 H new ATOM 0 HG13 VAL A 98 8.672 48.751 1.660 1.00 43.53 H new ATOM 0 HG21 VAL A 98 7.191 47.563 -0.773 1.00 34.13 H new ATOM 0 HG22 VAL A 98 7.258 49.306 -0.417 1.00 34.13 H new ATOM 0 HG23 VAL A 98 7.802 48.699 -1.999 1.00 34.13 H new ATOM 1506 N MET A 99 9.761 50.919 1.428 1.00 71.31 N ATOM 1507 CA MET A 99 9.222 51.972 2.281 1.00 73.34 C ATOM 1508 C MET A 99 9.567 53.350 1.726 1.00 15.30 C ATOM 1509 O MET A 99 8.975 54.356 2.120 1.00 33.22 O ATOM 1510 CB MET A 99 9.763 51.832 3.705 1.00 63.15 C ATOM 1511 CG MET A 99 11.210 52.275 3.851 1.00 52.42 C ATOM 1512 SD MET A 99 11.943 51.750 5.412 1.00 60.20 S ATOM 1513 CE MET A 99 12.200 50.006 5.095 1.00 35.33 C ATOM 0 H MET A 99 10.482 50.347 1.868 1.00 71.31 H new ATOM 0 HA MET A 99 8.137 51.869 2.301 1.00 73.34 H new ATOM 0 HB2 MET A 99 9.142 52.420 4.381 1.00 63.15 H new ATOM 0 HB3 MET A 99 9.677 50.791 4.017 1.00 63.15 H new ATOM 0 HG2 MET A 99 11.795 51.870 3.025 1.00 52.42 H new ATOM 0 HG3 MET A 99 11.263 53.361 3.777 1.00 52.42 H new ATOM 0 HE1 MET A 99 11.728 49.420 5.883 1.00 35.33 H new ATOM 0 HE2 MET A 99 11.760 49.742 4.133 1.00 35.33 H new ATOM 0 HE3 MET A 99 13.269 49.793 5.075 1.00 35.33 H new ATOM 1523 N THR A 100 10.528 53.391 0.809 1.00 24.11 N ATOM 1524 CA THR A 100 10.953 54.646 0.202 1.00 72.12 C ATOM 1525 C THR A 100 10.109 54.977 -1.024 1.00 62.51 C ATOM 1526 O THR A 100 9.236 55.842 -0.973 1.00 53.31 O ATOM 1527 CB THR A 100 12.437 54.598 -0.208 1.00 71.02 C ATOM 1528 OG1 THR A 100 13.258 54.401 0.948 1.00 64.41 O ATOM 1529 CG2 THR A 100 12.845 55.882 -0.913 1.00 42.54 C ATOM 0 H THR A 100 11.027 52.569 0.470 1.00 24.11 H new ATOM 0 HA THR A 100 10.817 55.423 0.954 1.00 72.12 H new ATOM 0 HB THR A 100 12.574 53.765 -0.897 1.00 71.02 H new ATOM 0 HG1 THR A 100 14.200 54.370 0.679 1.00 64.41 H new ATOM 0 HG21 THR A 100 13.897 55.825 -1.193 1.00 42.54 H new ATOM 0 HG22 THR A 100 12.238 56.014 -1.808 1.00 42.54 H new ATOM 0 HG23 THR A 100 12.693 56.729 -0.244 1.00 42.54 H new ATOM 1537 N SER A 101 10.376 54.281 -2.125 1.00 55.21 N ATOM 1538 CA SER A 101 9.642 54.504 -3.366 1.00 22.53 C ATOM 1539 C SER A 101 10.191 53.626 -4.486 1.00 64.32 C ATOM 1540 O SER A 101 9.453 53.199 -5.375 1.00 42.13 O ATOM 1541 CB SER A 101 9.720 55.977 -3.772 1.00 32.52 C ATOM 1542 OG SER A 101 8.489 56.637 -3.533 1.00 72.25 O ATOM 0 H SER A 101 11.094 53.559 -2.183 1.00 55.21 H new ATOM 0 HA SER A 101 8.599 54.237 -3.196 1.00 22.53 H new ATOM 0 HB2 SER A 101 10.515 56.470 -3.213 1.00 32.52 H new ATOM 0 HB3 SER A 101 9.978 56.053 -4.828 1.00 32.52 H new ATOM 0 HG SER A 101 8.277 56.597 -2.577 1.00 72.25 H new ATOM 1548 N LEU A 102 11.492 53.360 -4.437 1.00 70.21 N ATOM 1549 CA LEU A 102 12.142 52.533 -5.447 1.00 65.45 C ATOM 1550 C LEU A 102 11.825 51.057 -5.230 1.00 34.31 C ATOM 1551 O LEU A 102 12.721 50.249 -4.987 1.00 33.02 O ATOM 1552 CB LEU A 102 13.656 52.750 -5.416 1.00 3.13 C ATOM 1553 CG LEU A 102 14.332 52.572 -4.055 1.00 55.24 C ATOM 1554 CD1 LEU A 102 15.648 51.825 -4.206 1.00 53.44 C ATOM 1555 CD2 LEU A 102 14.556 53.923 -3.391 1.00 34.55 C ATOM 0 H LEU A 102 12.117 53.705 -3.709 1.00 70.21 H new ATOM 0 HA LEU A 102 11.758 52.829 -6.423 1.00 65.45 H new ATOM 0 HB2 LEU A 102 14.117 52.058 -6.121 1.00 3.13 H new ATOM 0 HB3 LEU A 102 13.866 53.758 -5.775 1.00 3.13 H new ATOM 0 HG LEU A 102 13.674 51.981 -3.418 1.00 55.24 H new ATOM 0 HD11 LEU A 102 16.114 51.708 -3.228 1.00 53.44 H new ATOM 0 HD12 LEU A 102 15.461 50.842 -4.639 1.00 53.44 H new ATOM 0 HD13 LEU A 102 16.313 52.389 -4.860 1.00 53.44 H new ATOM 0 HD21 LEU A 102 15.038 53.778 -2.424 1.00 34.55 H new ATOM 0 HD22 LEU A 102 15.194 54.539 -4.025 1.00 34.55 H new ATOM 0 HD23 LEU A 102 13.597 54.421 -3.248 1.00 34.55 H new ATOM 1567 N GLN A 103 10.544 50.713 -5.321 1.00 61.32 N ATOM 1568 CA GLN A 103 10.109 49.333 -5.136 1.00 0.43 C ATOM 1569 C GLN A 103 9.952 48.627 -6.478 1.00 61.12 C ATOM 1570 O GLN A 103 10.501 47.546 -6.688 1.00 61.23 O ATOM 1571 CB GLN A 103 8.787 49.292 -4.367 1.00 3.42 C ATOM 1572 CG GLN A 103 7.714 50.195 -4.953 1.00 71.15 C ATOM 1573 CD GLN A 103 6.511 50.340 -4.042 1.00 3.00 C ATOM 1574 OE1 GLN A 103 5.651 49.461 -3.986 1.00 32.04 O ATOM 1575 NE2 GLN A 103 6.445 51.454 -3.322 1.00 21.55 N ATOM 0 H GLN A 103 9.790 51.370 -5.521 1.00 61.32 H new ATOM 0 HA GLN A 103 10.873 48.812 -4.560 1.00 0.43 H new ATOM 0 HB2 GLN A 103 8.418 48.267 -4.350 1.00 3.42 H new ATOM 0 HB3 GLN A 103 8.969 49.582 -3.332 1.00 3.42 H new ATOM 0 HG2 GLN A 103 8.139 51.180 -5.146 1.00 71.15 H new ATOM 0 HG3 GLN A 103 7.391 49.793 -5.913 1.00 71.15 H new ATOM 0 HE21 GLN A 103 7.181 52.156 -3.400 1.00 21.55 H new ATOM 0 HE22 GLN A 103 5.659 51.607 -2.691 1.00 21.55 H new ATOM 1584 N GLN A 104 9.199 49.245 -7.382 1.00 43.23 N ATOM 1585 CA GLN A 104 8.970 48.674 -8.704 1.00 52.01 C ATOM 1586 C GLN A 104 10.289 48.439 -9.432 1.00 42.01 C ATOM 1587 O GLN A 104 10.456 47.436 -10.125 1.00 32.21 O ATOM 1588 CB GLN A 104 8.074 49.596 -9.533 1.00 14.03 C ATOM 1589 CG GLN A 104 6.801 50.014 -8.814 1.00 73.33 C ATOM 1590 CD GLN A 104 6.793 51.485 -8.448 1.00 23.32 C ATOM 1591 OE1 GLN A 104 7.666 51.960 -7.721 1.00 23.53 O ATOM 1592 NE2 GLN A 104 5.805 52.215 -8.951 1.00 1.44 N ATOM 0 H GLN A 104 8.737 50.141 -7.223 1.00 43.23 H new ATOM 0 HA GLN A 104 8.471 47.713 -8.575 1.00 52.01 H new ATOM 0 HB2 GLN A 104 8.638 50.488 -9.805 1.00 14.03 H new ATOM 0 HB3 GLN A 104 7.808 49.092 -10.462 1.00 14.03 H new ATOM 0 HG2 GLN A 104 5.942 49.797 -9.449 1.00 73.33 H new ATOM 0 HG3 GLN A 104 6.687 49.418 -7.909 1.00 73.33 H new ATOM 0 HE21 GLN A 104 5.103 51.780 -9.549 1.00 1.44 H new ATOM 0 HE22 GLN A 104 5.748 53.211 -8.739 1.00 1.44 H new ATOM 1601 N GLU A 105 11.223 49.371 -9.270 1.00 41.11 N ATOM 1602 CA GLU A 105 12.527 49.265 -9.914 1.00 23.34 C ATOM 1603 C GLU A 105 13.201 47.941 -9.562 1.00 40.43 C ATOM 1604 O GLU A 105 13.496 47.130 -10.440 1.00 40.24 O ATOM 1605 CB GLU A 105 13.423 50.433 -9.496 1.00 65.51 C ATOM 1606 CG GLU A 105 13.387 51.604 -10.463 1.00 72.11 C ATOM 1607 CD GLU A 105 14.771 52.110 -10.819 1.00 41.12 C ATOM 1608 OE1 GLU A 105 15.344 52.883 -10.024 1.00 14.55 O ATOM 1609 OE2 GLU A 105 15.282 51.732 -11.894 1.00 71.14 O ATOM 0 H GLU A 105 11.101 50.207 -8.699 1.00 41.11 H new ATOM 0 HA GLU A 105 12.376 49.301 -10.993 1.00 23.34 H new ATOM 0 HB2 GLU A 105 13.118 50.779 -8.508 1.00 65.51 H new ATOM 0 HB3 GLU A 105 14.450 50.078 -9.406 1.00 65.51 H new ATOM 0 HG2 GLU A 105 12.869 51.302 -11.374 1.00 72.11 H new ATOM 0 HG3 GLU A 105 12.810 52.417 -10.022 1.00 72.11 H new ATOM 1616 N TYR A 106 13.442 47.731 -8.273 1.00 52.01 N ATOM 1617 CA TYR A 106 14.083 46.508 -7.805 1.00 4.20 C ATOM 1618 C TYR A 106 13.363 45.275 -8.342 1.00 0.12 C ATOM 1619 O TYR A 106 13.985 44.249 -8.620 1.00 12.45 O ATOM 1620 CB TYR A 106 14.107 46.473 -6.276 1.00 5.20 C ATOM 1621 CG TYR A 106 15.408 46.961 -5.680 1.00 3.45 C ATOM 1622 CD1 TYR A 106 16.594 46.268 -5.888 1.00 3.35 C ATOM 1623 CD2 TYR A 106 15.451 48.117 -4.909 1.00 22.44 C ATOM 1624 CE1 TYR A 106 17.785 46.710 -5.344 1.00 13.42 C ATOM 1625 CE2 TYR A 106 16.637 48.567 -4.362 1.00 44.01 C ATOM 1626 CZ TYR A 106 17.801 47.860 -4.582 1.00 43.21 C ATOM 1627 OH TYR A 106 18.985 48.305 -4.040 1.00 24.31 O ATOM 0 H TYR A 106 13.203 48.392 -7.534 1.00 52.01 H new ATOM 0 HA TYR A 106 15.107 46.499 -8.178 1.00 4.20 H new ATOM 0 HB2 TYR A 106 13.290 47.085 -5.894 1.00 5.20 H new ATOM 0 HB3 TYR A 106 13.924 45.452 -5.941 1.00 5.20 H new ATOM 0 HD1 TYR A 106 16.585 45.368 -6.485 1.00 3.35 H new ATOM 0 HD2 TYR A 106 14.542 48.673 -4.735 1.00 22.44 H new ATOM 0 HE1 TYR A 106 18.698 46.158 -5.514 1.00 13.42 H new ATOM 0 HE2 TYR A 106 16.653 49.467 -3.766 1.00 44.01 H new ATOM 0 HH TYR A 106 18.874 48.439 -3.076 1.00 24.31 H new ATOM 1637 N LYS A 107 12.047 45.383 -8.486 1.00 54.33 N ATOM 1638 CA LYS A 107 11.239 44.280 -8.992 1.00 33.34 C ATOM 1639 C LYS A 107 11.449 44.093 -10.491 1.00 11.42 C ATOM 1640 O LYS A 107 11.444 42.970 -10.994 1.00 63.22 O ATOM 1641 CB LYS A 107 9.757 44.530 -8.701 1.00 3.23 C ATOM 1642 CG LYS A 107 9.404 44.444 -7.226 1.00 51.20 C ATOM 1643 CD LYS A 107 7.982 44.913 -6.965 1.00 62.31 C ATOM 1644 CE LYS A 107 7.897 45.761 -5.706 1.00 3.15 C ATOM 1645 NZ LYS A 107 6.863 46.826 -5.823 1.00 2.31 N ATOM 0 H LYS A 107 11.517 46.224 -8.259 1.00 54.33 H new ATOM 0 HA LYS A 107 11.554 43.369 -8.483 1.00 33.34 H new ATOM 0 HB2 LYS A 107 9.483 45.517 -9.075 1.00 3.23 H new ATOM 0 HB3 LYS A 107 9.160 43.804 -9.252 1.00 3.23 H new ATOM 0 HG2 LYS A 107 9.518 43.416 -6.883 1.00 51.20 H new ATOM 0 HG3 LYS A 107 10.100 45.052 -6.648 1.00 51.20 H new ATOM 0 HD2 LYS A 107 7.626 45.490 -7.818 1.00 62.31 H new ATOM 0 HD3 LYS A 107 7.325 44.049 -6.868 1.00 62.31 H new ATOM 0 HE2 LYS A 107 7.666 45.123 -4.853 1.00 3.15 H new ATOM 0 HE3 LYS A 107 8.867 46.217 -5.509 1.00 3.15 H new ATOM 0 HZ1 LYS A 107 6.618 47.178 -4.875 1.00 2.31 H new ATOM 0 HZ2 LYS A 107 7.235 47.609 -6.398 1.00 2.31 H new ATOM 0 HZ3 LYS A 107 6.013 46.436 -6.278 1.00 2.31 H new ATOM 1659 N LYS A 108 11.634 45.202 -11.200 1.00 24.32 N ATOM 1660 CA LYS A 108 11.849 45.161 -12.641 1.00 44.44 C ATOM 1661 C LYS A 108 13.101 44.359 -12.983 1.00 34.54 C ATOM 1662 O LYS A 108 13.022 43.320 -13.638 1.00 21.44 O ATOM 1663 CB LYS A 108 11.974 46.581 -13.199 1.00 54.12 C ATOM 1664 CG LYS A 108 10.673 47.130 -13.761 1.00 25.22 C ATOM 1665 CD LYS A 108 10.830 48.568 -14.226 1.00 60.34 C ATOM 1666 CE LYS A 108 10.080 49.532 -13.320 1.00 23.11 C ATOM 1667 NZ LYS A 108 8.612 49.495 -13.565 1.00 12.31 N ATOM 0 H LYS A 108 11.639 46.140 -10.799 1.00 24.32 H new ATOM 0 HA LYS A 108 10.989 44.671 -13.097 1.00 44.44 H new ATOM 0 HB2 LYS A 108 12.327 47.243 -12.409 1.00 54.12 H new ATOM 0 HB3 LYS A 108 12.731 46.589 -13.983 1.00 54.12 H new ATOM 0 HG2 LYS A 108 10.346 46.510 -14.596 1.00 25.22 H new ATOM 0 HG3 LYS A 108 9.895 47.076 -13.000 1.00 25.22 H new ATOM 0 HD2 LYS A 108 11.887 48.832 -14.244 1.00 60.34 H new ATOM 0 HD3 LYS A 108 10.460 48.664 -15.247 1.00 60.34 H new ATOM 0 HE2 LYS A 108 10.281 49.282 -12.278 1.00 23.11 H new ATOM 0 HE3 LYS A 108 10.450 50.545 -13.482 1.00 23.11 H new ATOM 0 HZ1 LYS A 108 8.137 50.166 -12.928 1.00 12.31 H new ATOM 0 HZ2 LYS A 108 8.418 49.758 -14.552 1.00 12.31 H new ATOM 0 HZ3 LYS A 108 8.254 48.535 -13.386 1.00 12.31 H new ATOM 1681 N GLN A 109 14.252 44.847 -12.533 1.00 63.51 N ATOM 1682 CA GLN A 109 15.519 44.173 -12.791 1.00 65.20 C ATOM 1683 C GLN A 109 15.446 42.703 -12.389 1.00 44.42 C ATOM 1684 O GLN A 109 15.941 41.830 -13.101 1.00 54.05 O ATOM 1685 CB GLN A 109 16.653 44.865 -12.033 1.00 1.53 C ATOM 1686 CG GLN A 109 16.410 44.967 -10.535 1.00 65.05 C ATOM 1687 CD GLN A 109 16.920 46.269 -9.949 1.00 31.44 C ATOM 1688 OE1 GLN A 109 17.924 46.291 -9.237 1.00 22.15 O ATOM 1689 NE2 GLN A 109 16.228 47.363 -10.245 1.00 64.22 N ATOM 0 H GLN A 109 14.334 45.706 -11.989 1.00 63.51 H new ATOM 0 HA GLN A 109 15.719 44.229 -13.861 1.00 65.20 H new ATOM 0 HB2 GLN A 109 17.581 44.319 -12.206 1.00 1.53 H new ATOM 0 HB3 GLN A 109 16.792 45.867 -12.439 1.00 1.53 H new ATOM 0 HG2 GLN A 109 15.342 44.877 -10.337 1.00 65.05 H new ATOM 0 HG3 GLN A 109 16.898 44.131 -10.034 1.00 65.05 H new ATOM 0 HE21 GLN A 109 15.402 47.298 -10.839 1.00 64.22 H new ATOM 0 HE22 GLN A 109 16.523 48.268 -9.878 1.00 64.22 H new ATOM 1698 N MET A 110 14.827 42.439 -11.243 1.00 62.55 N ATOM 1699 CA MET A 110 14.689 41.074 -10.748 1.00 1.14 C ATOM 1700 C MET A 110 13.895 40.217 -11.728 1.00 53.10 C ATOM 1701 O MET A 110 14.240 39.062 -11.980 1.00 20.24 O ATOM 1702 CB MET A 110 14.004 41.073 -9.380 1.00 30.33 C ATOM 1703 CG MET A 110 14.400 39.896 -8.503 1.00 22.03 C ATOM 1704 SD MET A 110 12.975 39.014 -7.838 1.00 71.13 S ATOM 1705 CE MET A 110 12.463 38.070 -9.272 1.00 34.04 C ATOM 0 H MET A 110 14.414 43.151 -10.641 1.00 62.55 H new ATOM 0 HA MET A 110 15.687 40.648 -10.648 1.00 1.14 H new ATOM 0 HB2 MET A 110 14.246 42.000 -8.861 1.00 30.33 H new ATOM 0 HB3 MET A 110 12.924 41.061 -9.524 1.00 30.33 H new ATOM 0 HG2 MET A 110 15.011 39.205 -9.083 1.00 22.03 H new ATOM 0 HG3 MET A 110 15.018 40.254 -7.679 1.00 22.03 H new ATOM 0 HE1 MET A 110 12.146 37.075 -8.959 1.00 34.04 H new ATOM 0 HE2 MET A 110 11.633 38.577 -9.764 1.00 34.04 H new ATOM 0 HE3 MET A 110 13.298 37.982 -9.967 1.00 34.04 H new ATOM 1715 N LEU A 111 12.830 40.789 -12.279 1.00 12.34 N ATOM 1716 CA LEU A 111 11.986 40.077 -13.232 1.00 13.31 C ATOM 1717 C LEU A 111 12.815 39.522 -14.385 1.00 44.43 C ATOM 1718 O LEU A 111 12.624 38.383 -14.811 1.00 74.22 O ATOM 1719 CB LEU A 111 10.897 41.006 -13.772 1.00 41.23 C ATOM 1720 CG LEU A 111 9.461 40.655 -13.382 1.00 51.33 C ATOM 1721 CD1 LEU A 111 8.515 41.786 -13.756 1.00 31.02 C ATOM 1722 CD2 LEU A 111 9.030 39.356 -14.047 1.00 22.33 C ATOM 0 H LEU A 111 12.530 41.744 -12.082 1.00 12.34 H new ATOM 0 HA LEU A 111 11.517 39.242 -12.712 1.00 13.31 H new ATOM 0 HB2 LEU A 111 11.108 42.019 -13.429 1.00 41.23 H new ATOM 0 HB3 LEU A 111 10.964 41.018 -14.860 1.00 41.23 H new ATOM 0 HG LEU A 111 9.422 40.517 -12.301 1.00 51.33 H new ATOM 0 HD11 LEU A 111 7.497 41.519 -13.471 1.00 31.02 H new ATOM 0 HD12 LEU A 111 8.811 42.696 -13.234 1.00 31.02 H new ATOM 0 HD13 LEU A 111 8.558 41.955 -14.832 1.00 31.02 H new ATOM 0 HD21 LEU A 111 8.005 39.122 -13.758 1.00 22.33 H new ATOM 0 HD22 LEU A 111 9.086 39.466 -15.130 1.00 22.33 H new ATOM 0 HD23 LEU A 111 9.690 38.549 -13.730 1.00 22.33 H new ATOM 1734 N THR A 112 13.741 40.335 -14.887 1.00 34.13 N ATOM 1735 CA THR A 112 14.601 39.926 -15.990 1.00 34.52 C ATOM 1736 C THR A 112 15.420 38.694 -15.621 1.00 13.14 C ATOM 1737 O THR A 112 15.423 37.699 -16.345 1.00 45.41 O ATOM 1738 CB THR A 112 15.557 41.058 -16.406 1.00 44.55 C ATOM 1739 OG1 THR A 112 14.915 42.328 -16.243 1.00 33.42 O ATOM 1740 CG2 THR A 112 15.998 40.890 -17.853 1.00 10.22 C ATOM 0 H THR A 112 13.914 41.281 -14.546 1.00 34.13 H new ATOM 0 HA THR A 112 13.947 39.686 -16.829 1.00 34.52 H new ATOM 0 HB THR A 112 16.438 41.012 -15.766 1.00 44.55 H new ATOM 0 HG1 THR A 112 15.531 43.042 -16.508 1.00 33.42 H new ATOM 0 HG21 THR A 112 16.673 41.702 -18.124 1.00 10.22 H new ATOM 0 HG22 THR A 112 16.513 39.936 -17.968 1.00 10.22 H new ATOM 0 HG23 THR A 112 15.124 40.912 -18.504 1.00 10.22 H new ATOM 1748 N ALA A 113 16.112 38.767 -14.489 1.00 3.43 N ATOM 1749 CA ALA A 113 16.933 37.657 -14.022 1.00 62.11 C ATOM 1750 C ALA A 113 16.099 36.392 -13.851 1.00 63.34 C ATOM 1751 O ALA A 113 16.429 35.341 -14.401 1.00 54.23 O ATOM 1752 CB ALA A 113 17.618 38.021 -12.713 1.00 62.51 C ATOM 0 H ALA A 113 16.120 39.584 -13.878 1.00 3.43 H new ATOM 0 HA ALA A 113 17.696 37.459 -14.775 1.00 62.11 H new ATOM 0 HB1 ALA A 113 18.228 37.183 -12.376 1.00 62.51 H new ATOM 0 HB2 ALA A 113 18.253 38.894 -12.865 1.00 62.51 H new ATOM 0 HB3 ALA A 113 16.864 38.248 -11.959 1.00 62.51 H new ATOM 1758 N ALA A 114 15.019 36.500 -13.085 1.00 72.43 N ATOM 1759 CA ALA A 114 14.137 35.364 -12.843 1.00 43.24 C ATOM 1760 C ALA A 114 13.544 34.842 -14.148 1.00 24.13 C ATOM 1761 O ALA A 114 13.281 33.647 -14.287 1.00 51.11 O ATOM 1762 CB ALA A 114 13.029 35.753 -11.876 1.00 42.00 C ATOM 0 H ALA A 114 14.733 37.362 -12.621 1.00 72.43 H new ATOM 0 HA ALA A 114 14.729 34.564 -12.398 1.00 43.24 H new ATOM 0 HB1 ALA A 114 12.378 34.896 -11.704 1.00 42.00 H new ATOM 0 HB2 ALA A 114 13.467 36.071 -10.930 1.00 42.00 H new ATOM 0 HB3 ALA A 114 12.447 36.571 -12.300 1.00 42.00 H new ATOM 1768 N HIS A 115 13.336 35.745 -15.101 1.00 32.41 N ATOM 1769 CA HIS A 115 12.773 35.374 -16.395 1.00 4.23 C ATOM 1770 C HIS A 115 13.588 34.258 -17.041 1.00 75.35 C ATOM 1771 O HIS A 115 13.064 33.182 -17.331 1.00 11.24 O ATOM 1772 CB HIS A 115 12.727 36.590 -17.321 1.00 71.32 C ATOM 1773 CG HIS A 115 11.338 36.995 -17.708 1.00 71.13 C ATOM 1774 ND1 HIS A 115 10.431 37.522 -16.814 1.00 12.33 N ATOM 1775 CD2 HIS A 115 10.703 36.949 -18.903 1.00 11.12 C ATOM 1776 CE1 HIS A 115 9.297 37.782 -17.441 1.00 24.33 C ATOM 1777 NE2 HIS A 115 9.436 37.443 -18.710 1.00 3.42 N ATOM 0 H HIS A 115 13.548 36.738 -15.002 1.00 32.41 H new ATOM 0 HA HIS A 115 11.758 35.011 -16.233 1.00 4.23 H new ATOM 0 HB2 HIS A 115 13.218 37.430 -16.829 1.00 71.32 H new ATOM 0 HB3 HIS A 115 13.298 36.371 -18.223 1.00 71.32 H new ATOM 0 HD1 HIS A 115 10.607 37.686 -15.823 1.00 12.33 H new ATOM 0 HD2 HIS A 115 11.116 36.591 -19.834 1.00 11.12 H new ATOM 0 HE1 HIS A 115 8.408 38.200 -16.992 1.00 24.33 H new ATOM 1785 N ALA A 116 14.871 34.521 -17.266 1.00 54.42 N ATOM 1786 CA ALA A 116 15.757 33.539 -17.877 1.00 72.34 C ATOM 1787 C ALA A 116 15.760 32.235 -17.086 1.00 53.04 C ATOM 1788 O ALA A 116 15.745 31.147 -17.663 1.00 72.32 O ATOM 1789 CB ALA A 116 17.168 34.096 -17.985 1.00 64.03 C ATOM 0 H ALA A 116 15.320 35.407 -17.034 1.00 54.42 H new ATOM 0 HA ALA A 116 15.385 33.325 -18.879 1.00 72.34 H new ATOM 0 HB1 ALA A 116 17.819 33.351 -18.443 1.00 64.03 H new ATOM 0 HB2 ALA A 116 17.158 34.996 -18.599 1.00 64.03 H new ATOM 0 HB3 ALA A 116 17.540 34.340 -16.990 1.00 64.03 H new ATOM 1795 N LEU A 117 15.780 32.351 -15.763 1.00 53.52 N ATOM 1796 CA LEU A 117 15.785 31.181 -14.892 1.00 42.32 C ATOM 1797 C LEU A 117 14.591 30.278 -15.185 1.00 43.44 C ATOM 1798 O LEU A 117 14.746 29.075 -15.390 1.00 20.24 O ATOM 1799 CB LEU A 117 15.764 31.613 -13.425 1.00 4.11 C ATOM 1800 CG LEU A 117 16.342 30.613 -12.423 1.00 13.14 C ATOM 1801 CD1 LEU A 117 15.489 29.355 -12.372 1.00 70.14 C ATOM 1802 CD2 LEU A 117 17.781 30.270 -12.780 1.00 13.42 C ATOM 0 H LEU A 117 15.793 33.244 -15.270 1.00 53.52 H new ATOM 0 HA LEU A 117 16.698 30.619 -15.086 1.00 42.32 H new ATOM 0 HB2 LEU A 117 16.316 32.548 -13.334 1.00 4.11 H new ATOM 0 HB3 LEU A 117 14.732 31.824 -13.144 1.00 4.11 H new ATOM 0 HG LEU A 117 16.334 31.073 -11.435 1.00 13.14 H new ATOM 0 HD11 LEU A 117 15.916 28.655 -11.654 1.00 70.14 H new ATOM 0 HD12 LEU A 117 14.475 29.615 -12.067 1.00 70.14 H new ATOM 0 HD13 LEU A 117 15.464 28.892 -13.359 1.00 70.14 H new ATOM 0 HD21 LEU A 117 18.176 29.557 -12.056 1.00 13.42 H new ATOM 0 HD22 LEU A 117 17.814 29.830 -13.777 1.00 13.42 H new ATOM 0 HD23 LEU A 117 18.386 31.177 -12.763 1.00 13.42 H new ATOM 1814 N ALA A 118 13.401 30.869 -15.207 1.00 32.24 N ATOM 1815 CA ALA A 118 12.181 30.119 -15.479 1.00 70.23 C ATOM 1816 C ALA A 118 12.318 29.293 -16.754 1.00 55.31 C ATOM 1817 O ALA A 118 11.949 28.119 -16.788 1.00 25.02 O ATOM 1818 CB ALA A 118 10.993 31.064 -15.585 1.00 30.43 C ATOM 0 H ALA A 118 13.256 31.865 -15.040 1.00 32.24 H new ATOM 0 HA ALA A 118 12.012 29.433 -14.649 1.00 70.23 H new ATOM 0 HB1 ALA A 118 10.089 30.490 -15.788 1.00 30.43 H new ATOM 0 HB2 ALA A 118 10.875 31.607 -14.647 1.00 30.43 H new ATOM 0 HB3 ALA A 118 11.163 31.773 -16.396 1.00 30.43 H new ATOM 1824 N VAL A 119 12.848 29.915 -17.802 1.00 64.03 N ATOM 1825 CA VAL A 119 13.034 29.237 -19.080 1.00 12.31 C ATOM 1826 C VAL A 119 13.809 27.936 -18.905 1.00 2.55 C ATOM 1827 O VAL A 119 13.466 26.912 -19.495 1.00 55.53 O ATOM 1828 CB VAL A 119 13.777 30.134 -20.088 1.00 25.41 C ATOM 1829 CG1 VAL A 119 14.076 29.366 -21.367 1.00 35.13 C ATOM 1830 CG2 VAL A 119 12.968 31.387 -20.385 1.00 35.51 C ATOM 0 H VAL A 119 13.156 30.887 -17.792 1.00 64.03 H new ATOM 0 HA VAL A 119 12.040 29.014 -19.468 1.00 12.31 H new ATOM 0 HB VAL A 119 14.725 30.439 -19.646 1.00 25.41 H new ATOM 0 HG11 VAL A 119 14.601 30.016 -22.067 1.00 35.13 H new ATOM 0 HG12 VAL A 119 14.700 28.503 -21.136 1.00 35.13 H new ATOM 0 HG13 VAL A 119 13.142 29.029 -21.816 1.00 35.13 H new ATOM 0 HG21 VAL A 119 13.509 32.008 -21.099 1.00 35.51 H new ATOM 0 HG22 VAL A 119 12.003 31.106 -20.807 1.00 35.51 H new ATOM 0 HG23 VAL A 119 12.812 31.946 -19.463 1.00 35.51 H new ATOM 1840 N ASP A 120 14.856 27.984 -18.089 1.00 24.04 N ATOM 1841 CA ASP A 120 15.681 26.808 -17.833 1.00 52.44 C ATOM 1842 C ASP A 120 14.834 25.656 -17.303 1.00 21.22 C ATOM 1843 O ASP A 120 14.911 24.534 -17.804 1.00 14.50 O ATOM 1844 CB ASP A 120 16.790 27.144 -16.836 1.00 4.13 C ATOM 1845 CG ASP A 120 17.745 28.197 -17.364 1.00 62.50 C ATOM 1846 OD1 ASP A 120 17.841 28.344 -18.601 1.00 30.04 O ATOM 1847 OD2 ASP A 120 18.396 28.873 -16.541 1.00 11.30 O ATOM 0 H ASP A 120 15.154 28.824 -17.593 1.00 24.04 H new ATOM 0 HA ASP A 120 16.133 26.499 -18.775 1.00 52.44 H new ATOM 0 HB2 ASP A 120 16.344 27.496 -15.906 1.00 4.13 H new ATOM 0 HB3 ASP A 120 17.348 26.238 -16.599 1.00 4.13 H new ATOM 1852 N ALA A 121 14.028 25.940 -16.285 1.00 61.10 N ATOM 1853 CA ALA A 121 13.167 24.928 -15.687 1.00 74.41 C ATOM 1854 C ALA A 121 12.343 24.209 -16.751 1.00 3.41 C ATOM 1855 O ALA A 121 12.121 23.001 -16.669 1.00 4.23 O ATOM 1856 CB ALA A 121 12.253 25.559 -14.647 1.00 41.31 C ATOM 0 H ALA A 121 13.954 26.863 -15.857 1.00 61.10 H new ATOM 0 HA ALA A 121 13.803 24.191 -15.197 1.00 74.41 H new ATOM 0 HB1 ALA A 121 11.616 24.791 -14.209 1.00 41.31 H new ATOM 0 HB2 ALA A 121 12.856 26.020 -13.865 1.00 41.31 H new ATOM 0 HB3 ALA A 121 11.632 26.319 -15.122 1.00 41.31 H new ATOM 1862 N LYS A 122 11.891 24.960 -17.750 1.00 4.55 N ATOM 1863 CA LYS A 122 11.092 24.396 -18.831 1.00 5.41 C ATOM 1864 C LYS A 122 11.964 23.586 -19.785 1.00 74.42 C ATOM 1865 O LYS A 122 11.583 22.497 -20.215 1.00 1.53 O ATOM 1866 CB LYS A 122 10.377 25.510 -19.598 1.00 52.25 C ATOM 1867 CG LYS A 122 9.377 24.999 -20.621 1.00 70.31 C ATOM 1868 CD LYS A 122 9.832 25.293 -22.041 1.00 34.11 C ATOM 1869 CE LYS A 122 9.554 24.121 -22.969 1.00 75.34 C ATOM 1870 NZ LYS A 122 8.289 24.307 -23.734 1.00 63.31 N ATOM 0 H LYS A 122 12.065 25.962 -17.833 1.00 4.55 H new ATOM 0 HA LYS A 122 10.349 23.731 -18.392 1.00 5.41 H new ATOM 0 HB2 LYS A 122 9.860 26.155 -18.887 1.00 52.25 H new ATOM 0 HB3 LYS A 122 11.120 26.126 -20.105 1.00 52.25 H new ATOM 0 HG2 LYS A 122 9.244 23.924 -20.496 1.00 70.31 H new ATOM 0 HG3 LYS A 122 8.406 25.463 -20.446 1.00 70.31 H new ATOM 0 HD2 LYS A 122 9.320 26.181 -22.412 1.00 34.11 H new ATOM 0 HD3 LYS A 122 10.899 25.515 -22.044 1.00 34.11 H new ATOM 0 HE2 LYS A 122 10.385 24.003 -23.664 1.00 75.34 H new ATOM 0 HE3 LYS A 122 9.494 23.202 -22.386 1.00 75.34 H new ATOM 0 HZ1 LYS A 122 8.135 23.487 -24.355 1.00 63.31 H new ATOM 0 HZ2 LYS A 122 7.492 24.394 -23.071 1.00 63.31 H new ATOM 0 HZ3 LYS A 122 8.356 25.170 -24.310 1.00 63.31 H new ATOM 1884 N ASN A 123 13.135 24.123 -20.111 1.00 74.14 N ATOM 1885 CA ASN A 123 14.060 23.448 -21.014 1.00 41.22 C ATOM 1886 C ASN A 123 14.493 22.102 -20.443 1.00 21.52 C ATOM 1887 O ASN A 123 14.991 21.238 -21.167 1.00 12.40 O ATOM 1888 CB ASN A 123 15.288 24.325 -21.269 1.00 13.34 C ATOM 1889 CG ASN A 123 15.983 23.982 -22.572 1.00 2.51 C ATOM 1890 OD1 ASN A 123 15.345 23.564 -23.538 1.00 13.22 O ATOM 1891 ND2 ASN A 123 17.299 24.158 -22.604 1.00 41.42 N ATOM 0 H ASN A 123 13.466 25.023 -19.764 1.00 74.14 H new ATOM 0 HA ASN A 123 13.544 23.273 -21.958 1.00 41.22 H new ATOM 0 HB2 ASN A 123 14.986 25.372 -21.286 1.00 13.34 H new ATOM 0 HB3 ASN A 123 15.991 24.210 -20.444 1.00 13.34 H new ATOM 0 HD21 ASN A 123 17.822 23.944 -23.453 1.00 41.42 H new ATOM 0 HD22 ASN A 123 17.787 24.507 -21.779 1.00 41.42 H new ATOM 1898 N LEU A 124 14.300 21.928 -19.140 1.00 12.40 N ATOM 1899 CA LEU A 124 14.669 20.686 -18.470 1.00 43.31 C ATOM 1900 C LEU A 124 14.095 19.479 -19.205 1.00 15.52 C ATOM 1901 O LEU A 124 14.832 18.690 -19.797 1.00 1.15 O ATOM 1902 CB LEU A 124 14.176 20.698 -17.022 1.00 43.51 C ATOM 1903 CG LEU A 124 14.803 21.753 -16.109 1.00 35.13 C ATOM 1904 CD1 LEU A 124 14.323 21.572 -14.677 1.00 73.30 C ATOM 1905 CD2 LEU A 124 16.321 21.683 -16.177 1.00 2.50 C ATOM 0 H LEU A 124 13.890 22.632 -18.526 1.00 12.40 H new ATOM 0 HA LEU A 124 15.756 20.608 -18.476 1.00 43.31 H new ATOM 0 HB2 LEU A 124 13.096 20.847 -17.028 1.00 43.51 H new ATOM 0 HB3 LEU A 124 14.360 19.715 -16.588 1.00 43.51 H new ATOM 0 HG LEU A 124 14.489 22.738 -16.455 1.00 35.13 H new ATOM 0 HD11 LEU A 124 14.779 22.331 -14.042 1.00 73.30 H new ATOM 0 HD12 LEU A 124 13.238 21.673 -14.641 1.00 73.30 H new ATOM 0 HD13 LEU A 124 14.607 20.582 -14.320 1.00 73.30 H new ATOM 0 HD21 LEU A 124 16.750 22.441 -15.521 1.00 2.50 H new ATOM 0 HD22 LEU A 124 16.654 20.696 -15.857 1.00 2.50 H new ATOM 0 HD23 LEU A 124 16.648 21.862 -17.201 1.00 2.50 H new ATOM 1917 N LEU A 125 12.774 19.343 -19.165 1.00 13.31 N ATOM 1918 CA LEU A 125 12.099 18.234 -19.829 1.00 74.41 C ATOM 1919 C LEU A 125 12.122 18.410 -21.344 1.00 23.00 C ATOM 1920 O LEU A 125 12.100 17.433 -22.093 1.00 41.21 O ATOM 1921 CB LEU A 125 10.654 18.123 -19.339 1.00 54.55 C ATOM 1922 CG LEU A 125 10.281 16.819 -18.634 1.00 64.34 C ATOM 1923 CD1 LEU A 125 10.102 17.051 -17.142 1.00 60.21 C ATOM 1924 CD2 LEU A 125 9.017 16.227 -19.240 1.00 13.32 C ATOM 0 H LEU A 125 12.149 19.987 -18.680 1.00 13.31 H new ATOM 0 HA LEU A 125 12.632 17.316 -19.580 1.00 74.41 H new ATOM 0 HB2 LEU A 125 10.459 18.950 -18.656 1.00 54.55 H new ATOM 0 HB3 LEU A 125 9.991 18.252 -20.194 1.00 54.55 H new ATOM 0 HG LEU A 125 11.094 16.107 -18.775 1.00 64.34 H new ATOM 0 HD11 LEU A 125 9.837 16.112 -16.657 1.00 60.21 H new ATOM 0 HD12 LEU A 125 11.033 17.428 -16.718 1.00 60.21 H new ATOM 0 HD13 LEU A 125 9.308 17.780 -16.980 1.00 60.21 H new ATOM 0 HD21 LEU A 125 8.767 15.299 -18.726 1.00 13.32 H new ATOM 0 HD22 LEU A 125 8.195 16.935 -19.131 1.00 13.32 H new ATOM 0 HD23 LEU A 125 9.182 16.022 -20.298 1.00 13.32 H new ATOM 1936 N ASP A 126 12.169 19.661 -21.788 1.00 4.11 N ATOM 1937 CA ASP A 126 12.200 19.966 -23.214 1.00 33.13 C ATOM 1938 C ASP A 126 13.395 19.299 -23.887 1.00 21.43 C ATOM 1939 O ASP A 126 13.275 18.741 -24.978 1.00 21.03 O ATOM 1940 CB ASP A 126 12.254 21.479 -23.433 1.00 24.35 C ATOM 1941 CG ASP A 126 11.784 21.881 -24.817 1.00 23.24 C ATOM 1942 OD1 ASP A 126 10.656 21.500 -25.194 1.00 5.14 O ATOM 1943 OD2 ASP A 126 12.545 22.575 -25.523 1.00 54.53 O ATOM 0 H ASP A 126 12.186 20.481 -21.181 1.00 4.11 H new ATOM 0 HA ASP A 126 11.288 19.574 -23.664 1.00 33.13 H new ATOM 0 HB2 ASP A 126 11.635 21.974 -22.684 1.00 24.35 H new ATOM 0 HB3 ASP A 126 13.276 21.829 -23.284 1.00 24.35 H new ATOM 1948 N VAL A 127 14.549 19.360 -23.229 1.00 53.42 N ATOM 1949 CA VAL A 127 15.766 18.762 -23.764 1.00 3.34 C ATOM 1950 C VAL A 127 15.729 17.243 -23.647 1.00 22.24 C ATOM 1951 O VAL A 127 15.803 16.531 -24.649 1.00 14.11 O ATOM 1952 CB VAL A 127 17.017 19.292 -23.037 1.00 61.24 C ATOM 1953 CG1 VAL A 127 18.273 18.630 -23.585 1.00 53.40 C ATOM 1954 CG2 VAL A 127 17.104 20.805 -23.162 1.00 3.41 C ATOM 0 H VAL A 127 14.666 19.817 -22.325 1.00 53.42 H new ATOM 0 HA VAL A 127 15.820 19.041 -24.816 1.00 3.34 H new ATOM 0 HB VAL A 127 16.935 19.042 -21.979 1.00 61.24 H new ATOM 0 HG11 VAL A 127 19.147 19.016 -23.060 1.00 53.40 H new ATOM 0 HG12 VAL A 127 18.209 17.552 -23.439 1.00 53.40 H new ATOM 0 HG13 VAL A 127 18.364 18.847 -24.649 1.00 53.40 H new ATOM 0 HG21 VAL A 127 17.993 21.162 -22.643 1.00 3.41 H new ATOM 0 HG22 VAL A 127 17.163 21.080 -24.215 1.00 3.41 H new ATOM 0 HG23 VAL A 127 16.218 21.258 -22.718 1.00 3.41 H new ATOM 1964 N ILE A 128 15.614 16.752 -22.417 1.00 44.21 N ATOM 1965 CA ILE A 128 15.566 15.317 -22.169 1.00 71.45 C ATOM 1966 C ILE A 128 14.482 14.650 -23.009 1.00 55.24 C ATOM 1967 O ILE A 128 14.569 13.464 -23.327 1.00 22.11 O ATOM 1968 CB ILE A 128 15.308 15.010 -20.682 1.00 43.33 C ATOM 1969 CG1 ILE A 128 15.762 13.588 -20.346 1.00 3.41 C ATOM 1970 CG2 ILE A 128 13.835 15.194 -20.351 1.00 72.12 C ATOM 1971 CD1 ILE A 128 16.290 13.440 -18.936 1.00 11.20 C ATOM 0 H ILE A 128 15.552 17.327 -21.577 1.00 44.21 H new ATOM 0 HA ILE A 128 16.540 14.916 -22.451 1.00 71.45 H new ATOM 0 HB ILE A 128 15.886 15.708 -20.076 1.00 43.33 H new ATOM 0 HG12 ILE A 128 14.924 12.905 -20.485 1.00 3.41 H new ATOM 0 HG13 ILE A 128 16.538 13.287 -21.050 1.00 3.41 H new ATOM 0 HG21 ILE A 128 13.669 14.973 -19.297 1.00 72.12 H new ATOM 0 HG22 ILE A 128 13.542 16.223 -20.557 1.00 72.12 H new ATOM 0 HG23 ILE A 128 13.238 14.517 -20.962 1.00 72.12 H new ATOM 0 HD11 ILE A 128 16.593 12.407 -18.768 1.00 11.20 H new ATOM 0 HD12 ILE A 128 17.149 14.097 -18.798 1.00 11.20 H new ATOM 0 HD13 ILE A 128 15.509 13.709 -18.225 1.00 11.20 H new ATOM 1983 N ASP A 129 13.461 15.421 -23.368 1.00 11.44 N ATOM 1984 CA ASP A 129 12.360 14.907 -24.174 1.00 0.02 C ATOM 1985 C ASP A 129 12.881 14.238 -25.442 1.00 44.40 C ATOM 1986 O ASP A 129 12.283 13.287 -25.944 1.00 10.33 O ATOM 1987 CB ASP A 129 11.395 16.037 -24.538 1.00 20.53 C ATOM 1988 CG ASP A 129 10.405 15.629 -25.611 1.00 60.10 C ATOM 1989 OD1 ASP A 129 10.738 15.763 -26.807 1.00 71.05 O ATOM 1990 OD2 ASP A 129 9.298 15.175 -25.255 1.00 13.12 O ATOM 0 H ASP A 129 13.373 16.405 -23.113 1.00 11.44 H new ATOM 0 HA ASP A 129 11.828 14.161 -23.584 1.00 0.02 H new ATOM 0 HB2 ASP A 129 10.852 16.349 -23.646 1.00 20.53 H new ATOM 0 HB3 ASP A 129 11.964 16.900 -24.882 1.00 20.53 H new ATOM 1995 N GLN A 130 13.999 14.744 -25.955 1.00 33.53 N ATOM 1996 CA GLN A 130 14.599 14.196 -27.165 1.00 71.35 C ATOM 1997 C GLN A 130 15.072 12.764 -26.938 1.00 65.15 C ATOM 1998 O GLN A 130 15.078 11.948 -27.860 1.00 13.21 O ATOM 1999 CB GLN A 130 15.771 15.068 -27.618 1.00 63.43 C ATOM 2000 CG GLN A 130 15.347 16.417 -28.176 1.00 33.51 C ATOM 2001 CD GLN A 130 16.428 17.068 -29.015 1.00 23.11 C ATOM 2002 OE1 GLN A 130 17.543 17.296 -28.544 1.00 13.14 O ATOM 2003 NE2 GLN A 130 16.105 17.371 -30.267 1.00 12.14 N ATOM 0 H GLN A 130 14.506 15.532 -25.551 1.00 33.53 H new ATOM 0 HA GLN A 130 13.839 14.188 -27.946 1.00 71.35 H new ATOM 0 HB2 GLN A 130 16.441 15.228 -26.774 1.00 63.43 H new ATOM 0 HB3 GLN A 130 16.339 14.532 -28.379 1.00 63.43 H new ATOM 0 HG2 GLN A 130 14.450 16.289 -28.782 1.00 33.51 H new ATOM 0 HG3 GLN A 130 15.084 17.080 -27.352 1.00 33.51 H new ATOM 0 HE21 GLN A 130 15.169 17.164 -30.617 1.00 12.14 H new ATOM 0 HE22 GLN A 130 16.793 17.810 -30.879 1.00 12.14 H new ATOM 2012 N ALA A 131 15.470 12.466 -25.706 1.00 20.21 N ATOM 2013 CA ALA A 131 15.944 11.132 -25.358 1.00 11.14 C ATOM 2014 C ALA A 131 14.792 10.134 -25.314 1.00 13.10 C ATOM 2015 O ALA A 131 14.810 9.120 -26.012 1.00 14.02 O ATOM 2016 CB ALA A 131 16.670 11.162 -24.021 1.00 15.23 C ATOM 0 H ALA A 131 15.474 13.130 -24.932 1.00 20.21 H new ATOM 0 HA ALA A 131 16.641 10.808 -26.131 1.00 11.14 H new ATOM 0 HB1 ALA A 131 17.018 10.159 -23.774 1.00 15.23 H new ATOM 0 HB2 ALA A 131 17.523 11.837 -24.085 1.00 15.23 H new ATOM 0 HB3 ALA A 131 15.989 11.511 -23.245 1.00 15.23 H new ATOM 2022 N ARG A 132 13.791 10.428 -24.490 1.00 25.14 N ATOM 2023 CA ARG A 132 12.632 9.555 -24.354 1.00 32.21 C ATOM 2024 C ARG A 132 12.011 9.259 -25.716 1.00 44.33 C ATOM 2025 O ARG A 132 11.657 8.118 -26.015 1.00 32.14 O ATOM 2026 CB ARG A 132 11.590 10.195 -23.435 1.00 74.00 C ATOM 2027 CG ARG A 132 11.216 11.613 -23.833 1.00 52.42 C ATOM 2028 CD ARG A 132 10.260 12.240 -22.830 1.00 4.22 C ATOM 2029 NE ARG A 132 10.944 12.652 -21.606 1.00 72.45 N ATOM 2030 CZ ARG A 132 10.315 13.127 -20.538 1.00 14.43 C ATOM 2031 NH1 ARG A 132 8.995 13.251 -20.542 1.00 34.24 N ATOM 2032 NH2 ARG A 132 11.006 13.481 -19.462 1.00 22.53 N ATOM 0 H ARG A 132 13.760 11.264 -23.907 1.00 25.14 H new ATOM 0 HA ARG A 132 12.966 8.615 -23.914 1.00 32.21 H new ATOM 0 HB2 ARG A 132 10.691 9.578 -23.434 1.00 74.00 H new ATOM 0 HB3 ARG A 132 11.973 10.202 -22.415 1.00 74.00 H new ATOM 0 HG2 ARG A 132 12.118 12.221 -23.907 1.00 52.42 H new ATOM 0 HG3 ARG A 132 10.755 11.605 -24.821 1.00 52.42 H new ATOM 0 HD2 ARG A 132 9.775 13.105 -23.283 1.00 4.22 H new ATOM 0 HD3 ARG A 132 9.474 11.526 -22.583 1.00 4.22 H new ATOM 0 HE ARG A 132 11.960 12.570 -21.570 1.00 72.45 H new ATOM 0 HH11 ARG A 132 8.460 12.981 -21.367 1.00 34.24 H new ATOM 0 HH12 ARG A 132 8.515 13.616 -19.720 1.00 34.24 H new ATOM 0 HH21 ARG A 132 12.022 13.388 -19.455 1.00 22.53 H new ATOM 0 HH22 ARG A 132 10.521 13.846 -18.642 1.00 22.53 H new ATOM 2046 N LEU A 133 11.883 10.294 -26.539 1.00 14.31 N ATOM 2047 CA LEU A 133 11.304 10.146 -27.870 1.00 45.41 C ATOM 2048 C LEU A 133 12.208 9.305 -28.766 1.00 30.13 C ATOM 2049 O LEU A 133 11.732 8.495 -29.562 1.00 13.42 O ATOM 2050 CB LEU A 133 11.075 11.520 -28.504 1.00 24.34 C ATOM 2051 CG LEU A 133 9.619 11.969 -28.623 1.00 13.43 C ATOM 2052 CD1 LEU A 133 9.530 13.487 -28.662 1.00 41.11 C ATOM 2053 CD2 LEU A 133 8.973 11.363 -29.860 1.00 51.31 C ATOM 0 H LEU A 133 12.172 11.245 -26.308 1.00 14.31 H new ATOM 0 HA LEU A 133 10.346 9.635 -27.768 1.00 45.41 H new ATOM 0 HB2 LEU A 133 11.617 12.263 -27.919 1.00 24.34 H new ATOM 0 HB3 LEU A 133 11.516 11.516 -29.501 1.00 24.34 H new ATOM 0 HG LEU A 133 9.077 11.616 -27.745 1.00 13.43 H new ATOM 0 HD11 LEU A 133 8.486 13.788 -28.747 1.00 41.11 H new ATOM 0 HD12 LEU A 133 9.953 13.900 -27.746 1.00 41.11 H new ATOM 0 HD13 LEU A 133 10.087 13.862 -29.521 1.00 41.11 H new ATOM 0 HD21 LEU A 133 7.937 11.694 -29.928 1.00 51.31 H new ATOM 0 HD22 LEU A 133 9.516 11.685 -30.749 1.00 51.31 H new ATOM 0 HD23 LEU A 133 9.003 10.276 -29.790 1.00 51.31 H new ATOM 2065 N LYS A 134 13.515 9.500 -28.629 1.00 62.10 N ATOM 2066 CA LYS A 134 14.487 8.757 -29.423 1.00 1.34 C ATOM 2067 C LYS A 134 14.308 7.254 -29.235 1.00 1.22 C ATOM 2068 O LYS A 134 14.570 6.470 -30.146 1.00 50.04 O ATOM 2069 CB LYS A 134 15.911 9.164 -29.035 1.00 15.41 C ATOM 2070 CG LYS A 134 16.983 8.519 -29.895 1.00 23.23 C ATOM 2071 CD LYS A 134 17.405 7.169 -29.340 1.00 22.34 C ATOM 2072 CE LYS A 134 18.897 6.934 -29.519 1.00 3.14 C ATOM 2073 NZ LYS A 134 19.225 5.484 -29.600 1.00 71.34 N ATOM 0 H LYS A 134 13.926 10.167 -27.975 1.00 62.10 H new ATOM 0 HA LYS A 134 14.320 8.997 -30.473 1.00 1.34 H new ATOM 0 HB2 LYS A 134 16.003 10.248 -29.107 1.00 15.41 H new ATOM 0 HB3 LYS A 134 16.085 8.898 -27.992 1.00 15.41 H new ATOM 0 HG2 LYS A 134 16.610 8.395 -30.911 1.00 23.23 H new ATOM 0 HG3 LYS A 134 17.850 9.177 -29.952 1.00 23.23 H new ATOM 0 HD2 LYS A 134 17.152 7.114 -28.281 1.00 22.34 H new ATOM 0 HD3 LYS A 134 16.848 6.378 -29.842 1.00 22.34 H new ATOM 0 HE2 LYS A 134 19.237 7.434 -30.426 1.00 3.14 H new ATOM 0 HE3 LYS A 134 19.438 7.382 -28.686 1.00 3.14 H new ATOM 0 HZ1 LYS A 134 20.251 5.366 -29.722 1.00 71.34 H new ATOM 0 HZ2 LYS A 134 18.924 5.010 -28.724 1.00 71.34 H new ATOM 0 HZ3 LYS A 134 18.729 5.061 -30.411 1.00 71.34 H new ATOM 2087 N MET A 135 13.859 6.860 -28.048 1.00 2.04 N ATOM 2088 CA MET A 135 13.643 5.451 -27.742 1.00 73.54 C ATOM 2089 C MET A 135 12.305 4.973 -28.299 1.00 63.23 C ATOM 2090 O MET A 135 12.228 3.923 -28.938 1.00 41.12 O ATOM 2091 CB MET A 135 13.690 5.221 -26.231 1.00 22.14 C ATOM 2092 CG MET A 135 13.501 3.767 -25.831 1.00 34.35 C ATOM 2093 SD MET A 135 12.486 3.580 -24.352 1.00 33.21 S ATOM 2094 CE MET A 135 13.379 4.616 -23.195 1.00 73.52 C ATOM 0 H MET A 135 13.638 7.497 -27.282 1.00 2.04 H new ATOM 0 HA MET A 135 14.440 4.877 -28.214 1.00 73.54 H new ATOM 0 HB2 MET A 135 14.648 5.573 -25.848 1.00 22.14 H new ATOM 0 HB3 MET A 135 12.916 5.823 -25.756 1.00 22.14 H new ATOM 0 HG2 MET A 135 13.038 3.225 -26.655 1.00 34.35 H new ATOM 0 HG3 MET A 135 14.476 3.312 -25.658 1.00 34.35 H new ATOM 0 HE1 MET A 135 13.018 4.427 -22.184 1.00 73.52 H new ATOM 0 HE2 MET A 135 14.443 4.388 -23.249 1.00 73.52 H new ATOM 0 HE3 MET A 135 13.220 5.664 -23.447 1.00 73.52 H new ATOM 2104 N ILE A 136 11.256 5.749 -28.053 1.00 14.14 N ATOM 2105 CA ILE A 136 9.922 5.405 -28.530 1.00 63.34 C ATOM 2106 C ILE A 136 9.915 5.206 -30.042 1.00 74.23 C ATOM 2107 O ILE A 136 9.540 4.142 -30.537 1.00 3.52 O ATOM 2108 CB ILE A 136 8.894 6.490 -28.162 1.00 2.45 C ATOM 2109 CG1 ILE A 136 8.853 6.690 -26.645 1.00 50.51 C ATOM 2110 CG2 ILE A 136 7.517 6.117 -28.690 1.00 1.14 C ATOM 2111 CD1 ILE A 136 8.223 8.000 -26.225 1.00 73.13 C ATOM 0 H ILE A 136 11.303 6.621 -27.526 1.00 14.14 H new ATOM 0 HA ILE A 136 9.643 4.472 -28.040 1.00 63.34 H new ATOM 0 HB ILE A 136 9.197 7.429 -28.626 1.00 2.45 H new ATOM 0 HG12 ILE A 136 8.298 5.868 -26.193 1.00 50.51 H new ATOM 0 HG13 ILE A 136 9.869 6.642 -26.253 1.00 50.51 H new ATOM 0 HG21 ILE A 136 6.802 6.894 -28.421 1.00 1.14 H new ATOM 0 HG22 ILE A 136 7.557 6.020 -29.775 1.00 1.14 H new ATOM 0 HG23 ILE A 136 7.204 5.169 -28.252 1.00 1.14 H new ATOM 0 HD11 ILE A 136 8.228 8.074 -25.138 1.00 73.13 H new ATOM 0 HD12 ILE A 136 8.791 8.829 -26.648 1.00 73.13 H new ATOM 0 HD13 ILE A 136 7.196 8.042 -26.587 1.00 73.13 H new ATOM 2123 N SER A 137 10.332 6.236 -30.771 1.00 70.23 N ATOM 2124 CA SER A 137 10.371 6.175 -32.228 1.00 5.32 C ATOM 2125 C SER A 137 11.552 5.335 -32.705 1.00 4.42 C ATOM 2126 O SER A 137 12.536 5.866 -33.220 1.00 21.30 O ATOM 2127 CB SER A 137 10.463 7.585 -32.816 1.00 21.25 C ATOM 2128 OG SER A 137 10.157 7.581 -34.199 1.00 51.31 O ATOM 0 H SER A 137 10.648 7.122 -30.377 1.00 70.23 H new ATOM 0 HA SER A 137 9.450 5.704 -32.572 1.00 5.32 H new ATOM 0 HB2 SER A 137 9.775 8.247 -32.290 1.00 21.25 H new ATOM 0 HB3 SER A 137 11.467 7.981 -32.663 1.00 21.25 H new ATOM 0 HG SER A 137 10.221 8.493 -34.551 1.00 51.31 H new ATOM 2228 N ALA A 170 25.544 22.053 -0.624 1.00 51.13 N ATOM 2229 CA ALA A 170 24.544 22.798 -1.379 1.00 72.11 C ATOM 2230 C ALA A 170 23.252 22.946 -0.582 1.00 3.01 C ATOM 2231 O ALA A 170 22.748 24.054 -0.397 1.00 11.15 O ATOM 2232 CB ALA A 170 24.269 22.113 -2.710 1.00 3.41 C ATOM 0 HA ALA A 170 24.939 23.796 -1.571 1.00 72.11 H new ATOM 0 HB1 ALA A 170 23.520 22.680 -3.263 1.00 3.41 H new ATOM 0 HB2 ALA A 170 25.190 22.064 -3.291 1.00 3.41 H new ATOM 0 HB3 ALA A 170 23.900 21.103 -2.530 1.00 3.41 H new ATOM 2238 N THR A 171 22.720 21.822 -0.112 1.00 0.00 N ATOM 2239 CA THR A 171 21.486 21.827 0.664 1.00 62.44 C ATOM 2240 C THR A 171 21.569 22.813 1.823 1.00 40.23 C ATOM 2241 O THR A 171 20.558 23.375 2.245 1.00 4.22 O ATOM 2242 CB THR A 171 21.166 20.426 1.219 1.00 63.24 C ATOM 2243 OG1 THR A 171 22.379 19.697 1.438 1.00 2.13 O ATOM 2244 CG2 THR A 171 20.272 19.655 0.259 1.00 22.22 C ATOM 0 H THR A 171 23.124 20.897 -0.255 1.00 0.00 H new ATOM 0 HA THR A 171 20.688 22.133 -0.013 1.00 62.44 H new ATOM 0 HB THR A 171 20.639 20.546 2.165 1.00 63.24 H new ATOM 0 HG1 THR A 171 22.167 18.808 1.792 1.00 2.13 H new ATOM 0 HG21 THR A 171 20.060 18.669 0.672 1.00 22.22 H new ATOM 0 HG22 THR A 171 19.338 20.198 0.117 1.00 22.22 H new ATOM 0 HG23 THR A 171 20.778 19.545 -0.700 1.00 22.22 H new ATOM 2252 N ARG A 172 22.779 23.020 2.332 1.00 32.25 N ATOM 2253 CA ARG A 172 22.993 23.939 3.444 1.00 71.03 C ATOM 2254 C ARG A 172 22.445 25.325 3.116 1.00 44.10 C ATOM 2255 O ARG A 172 21.606 25.858 3.841 1.00 41.11 O ATOM 2256 CB ARG A 172 24.483 24.033 3.776 1.00 42.02 C ATOM 2257 CG ARG A 172 24.868 23.313 5.058 1.00 1.51 C ATOM 2258 CD ARG A 172 24.287 24.006 6.281 1.00 21.42 C ATOM 2259 NE ARG A 172 23.994 23.062 7.357 1.00 62.04 N ATOM 2260 CZ ARG A 172 24.930 22.470 8.090 1.00 2.45 C ATOM 2261 NH1 ARG A 172 26.212 22.724 7.866 1.00 1.20 N ATOM 2262 NH2 ARG A 172 24.585 21.623 9.052 1.00 54.34 N ATOM 0 H ARG A 172 23.626 22.564 1.992 1.00 32.25 H new ATOM 0 HA ARG A 172 22.459 23.552 4.311 1.00 71.03 H new ATOM 0 HB2 ARG A 172 25.058 23.617 2.949 1.00 42.02 H new ATOM 0 HB3 ARG A 172 24.762 25.083 3.861 1.00 42.02 H new ATOM 0 HG2 ARG A 172 24.513 22.283 5.019 1.00 1.51 H new ATOM 0 HG3 ARG A 172 25.954 23.273 5.142 1.00 1.51 H new ATOM 0 HD2 ARG A 172 24.990 24.758 6.640 1.00 21.42 H new ATOM 0 HD3 ARG A 172 23.374 24.531 6.001 1.00 21.42 H new ATOM 0 HE ARG A 172 23.017 22.846 7.556 1.00 62.04 H new ATOM 0 HH11 ARG A 172 26.482 23.376 7.129 1.00 1.20 H new ATOM 0 HH12 ARG A 172 26.929 22.268 8.431 1.00 1.20 H new ATOM 0 HH21 ARG A 172 23.600 21.426 9.229 1.00 54.34 H new ATOM 0 HH22 ARG A 172 25.305 21.169 9.614 1.00 54.34 H new ATOM 2276 N GLU A 173 22.927 25.902 2.020 1.00 44.24 N ATOM 2277 CA GLU A 173 22.487 27.227 1.598 1.00 72.54 C ATOM 2278 C GLU A 173 20.980 27.247 1.357 1.00 41.55 C ATOM 2279 O GLU A 173 20.280 28.156 1.806 1.00 4.02 O ATOM 2280 CB GLU A 173 23.224 27.652 0.326 1.00 13.41 C ATOM 2281 CG GLU A 173 24.299 28.699 0.567 1.00 34.02 C ATOM 2282 CD GLU A 173 25.213 28.882 -0.628 1.00 41.25 C ATOM 2283 OE1 GLU A 173 26.178 28.101 -0.763 1.00 41.52 O ATOM 2284 OE2 GLU A 173 24.963 29.807 -1.430 1.00 33.03 O ATOM 0 H GLU A 173 23.622 25.473 1.408 1.00 44.24 H new ATOM 0 HA GLU A 173 22.720 27.932 2.396 1.00 72.54 H new ATOM 0 HB2 GLU A 173 23.680 26.773 -0.130 1.00 13.41 H new ATOM 0 HB3 GLU A 173 22.501 28.044 -0.389 1.00 13.41 H new ATOM 0 HG2 GLU A 173 23.826 29.651 0.807 1.00 34.02 H new ATOM 0 HG3 GLU A 173 24.894 28.411 1.434 1.00 34.02 H new ATOM 2291 N LEU A 174 20.487 26.241 0.644 1.00 61.24 N ATOM 2292 CA LEU A 174 19.063 26.142 0.341 1.00 4.53 C ATOM 2293 C LEU A 174 18.228 26.244 1.614 1.00 63.43 C ATOM 2294 O LEU A 174 17.273 27.017 1.681 1.00 2.44 O ATOM 2295 CB LEU A 174 18.764 24.825 -0.376 1.00 31.34 C ATOM 2296 CG LEU A 174 19.128 24.770 -1.860 1.00 1.14 C ATOM 2297 CD1 LEU A 174 19.974 23.542 -2.157 1.00 30.32 C ATOM 2298 CD2 LEU A 174 17.871 24.775 -2.718 1.00 24.13 C ATOM 0 H LEU A 174 21.052 25.482 0.264 1.00 61.24 H new ATOM 0 HA LEU A 174 18.797 26.972 -0.314 1.00 4.53 H new ATOM 0 HB2 LEU A 174 19.298 24.026 0.138 1.00 31.34 H new ATOM 0 HB3 LEU A 174 17.699 24.614 -0.276 1.00 31.34 H new ATOM 0 HG LEU A 174 19.714 25.656 -2.104 1.00 1.14 H new ATOM 0 HD11 LEU A 174 20.223 23.520 -3.218 1.00 30.32 H new ATOM 0 HD12 LEU A 174 20.891 23.581 -1.569 1.00 30.32 H new ATOM 0 HD13 LEU A 174 19.415 22.643 -1.897 1.00 30.32 H new ATOM 0 HD21 LEU A 174 18.149 24.735 -3.771 1.00 24.13 H new ATOM 0 HD22 LEU A 174 17.259 23.907 -2.472 1.00 24.13 H new ATOM 0 HD23 LEU A 174 17.303 25.686 -2.527 1.00 24.13 H new ATOM 2310 N ASP A 175 18.596 25.459 2.620 1.00 20.42 N ATOM 2311 CA ASP A 175 17.883 25.462 3.892 1.00 30.14 C ATOM 2312 C ASP A 175 18.122 26.767 4.646 1.00 60.51 C ATOM 2313 O ASP A 175 17.207 27.317 5.258 1.00 63.21 O ATOM 2314 CB ASP A 175 18.322 24.275 4.751 1.00 65.32 C ATOM 2315 CG ASP A 175 17.194 23.726 5.602 1.00 51.33 C ATOM 2316 OD1 ASP A 175 16.809 24.398 6.582 1.00 40.11 O ATOM 2317 OD2 ASP A 175 16.695 22.626 5.287 1.00 20.10 O ATOM 0 H ASP A 175 19.384 24.812 2.580 1.00 20.42 H new ATOM 0 HA ASP A 175 16.817 25.374 3.682 1.00 30.14 H new ATOM 0 HB2 ASP A 175 18.703 23.484 4.105 1.00 65.32 H new ATOM 0 HB3 ASP A 175 19.144 24.583 5.397 1.00 65.32 H new ATOM 2322 N GLU A 176 19.358 27.255 4.597 1.00 33.51 N ATOM 2323 CA GLU A 176 19.716 28.493 5.277 1.00 3.52 C ATOM 2324 C GLU A 176 18.812 29.639 4.833 1.00 12.50 C ATOM 2325 O GLU A 176 18.236 30.348 5.660 1.00 30.53 O ATOM 2326 CB GLU A 176 21.179 28.848 5.002 1.00 62.44 C ATOM 2327 CG GLU A 176 22.036 28.914 6.255 1.00 70.54 C ATOM 2328 CD GLU A 176 23.218 29.851 6.104 1.00 24.12 C ATOM 2329 OE1 GLU A 176 23.571 30.180 4.952 1.00 14.41 O ATOM 2330 OE2 GLU A 176 23.791 30.255 7.138 1.00 65.45 O ATOM 0 H GLU A 176 20.127 26.812 4.094 1.00 33.51 H new ATOM 0 HA GLU A 176 19.581 28.340 6.348 1.00 3.52 H new ATOM 0 HB2 GLU A 176 21.602 28.109 4.322 1.00 62.44 H new ATOM 0 HB3 GLU A 176 21.221 29.811 4.492 1.00 62.44 H new ATOM 0 HG2 GLU A 176 21.422 29.242 7.094 1.00 70.54 H new ATOM 0 HG3 GLU A 176 22.398 27.915 6.496 1.00 70.54 H new ATOM 2337 N LEU A 177 18.692 29.817 3.522 1.00 61.51 N ATOM 2338 CA LEU A 177 17.858 30.877 2.966 1.00 23.30 C ATOM 2339 C LEU A 177 16.404 30.707 3.395 1.00 43.41 C ATOM 2340 O LEU A 177 15.715 31.684 3.687 1.00 43.44 O ATOM 2341 CB LEU A 177 17.954 30.881 1.439 1.00 24.44 C ATOM 2342 CG LEU A 177 19.195 31.550 0.847 1.00 52.13 C ATOM 2343 CD1 LEU A 177 19.263 31.314 -0.654 1.00 64.40 C ATOM 2344 CD2 LEU A 177 19.195 33.040 1.154 1.00 12.42 C ATOM 0 H LEU A 177 19.162 29.241 2.824 1.00 61.51 H new ATOM 0 HA LEU A 177 18.222 31.830 3.349 1.00 23.30 H new ATOM 0 HB2 LEU A 177 17.921 29.849 1.090 1.00 24.44 H new ATOM 0 HB3 LEU A 177 17.071 31.381 1.041 1.00 24.44 H new ATOM 0 HG LEU A 177 20.078 31.105 1.305 1.00 52.13 H new ATOM 0 HD11 LEU A 177 20.152 31.797 -1.058 1.00 64.40 H new ATOM 0 HD12 LEU A 177 19.310 30.243 -0.852 1.00 64.40 H new ATOM 0 HD13 LEU A 177 18.375 31.732 -1.129 1.00 64.40 H new ATOM 0 HD21 LEU A 177 20.085 33.500 0.725 1.00 12.42 H new ATOM 0 HD22 LEU A 177 18.306 33.500 0.723 1.00 12.42 H new ATOM 0 HD23 LEU A 177 19.194 33.189 2.234 1.00 12.42 H new ATOM 2356 N MET A 178 15.945 29.461 3.433 1.00 63.32 N ATOM 2357 CA MET A 178 14.574 29.163 3.830 1.00 51.52 C ATOM 2358 C MET A 178 14.280 29.714 5.222 1.00 75.43 C ATOM 2359 O MET A 178 13.198 30.243 5.474 1.00 74.10 O ATOM 2360 CB MET A 178 14.328 27.654 3.803 1.00 64.31 C ATOM 2361 CG MET A 178 12.963 27.270 3.255 1.00 24.42 C ATOM 2362 SD MET A 178 12.246 25.852 4.108 1.00 5.13 S ATOM 2363 CE MET A 178 13.388 24.557 3.630 1.00 35.24 C ATOM 0 H MET A 178 16.502 28.641 3.194 1.00 63.32 H new ATOM 0 HA MET A 178 13.903 29.645 3.118 1.00 51.52 H new ATOM 0 HB2 MET A 178 15.100 27.179 3.198 1.00 64.31 H new ATOM 0 HB3 MET A 178 14.428 27.260 4.814 1.00 64.31 H new ATOM 0 HG2 MET A 178 12.288 28.121 3.343 1.00 24.42 H new ATOM 0 HG3 MET A 178 13.053 27.043 2.193 1.00 24.42 H new ATOM 0 HE1 MET A 178 12.880 23.593 3.663 1.00 35.24 H new ATOM 0 HE2 MET A 178 13.746 24.743 2.618 1.00 35.24 H new ATOM 0 HE3 MET A 178 14.233 24.545 4.318 1.00 35.24 H new ATOM 2373 N ALA A 179 15.249 29.584 6.121 1.00 1.35 N ATOM 2374 CA ALA A 179 15.094 30.070 7.487 1.00 52.11 C ATOM 2375 C ALA A 179 15.014 31.593 7.522 1.00 24.53 C ATOM 2376 O ALA A 179 14.191 32.164 8.237 1.00 4.22 O ATOM 2377 CB ALA A 179 16.242 29.579 8.356 1.00 45.34 C ATOM 0 H ALA A 179 16.150 29.146 5.929 1.00 1.35 H new ATOM 0 HA ALA A 179 14.159 29.674 7.883 1.00 52.11 H new ATOM 0 HB1 ALA A 179 16.113 29.950 9.373 1.00 45.34 H new ATOM 0 HB2 ALA A 179 16.251 28.489 8.365 1.00 45.34 H new ATOM 0 HB3 ALA A 179 17.186 29.946 7.953 1.00 45.34 H new ATOM 2383 N SER A 180 15.875 32.244 6.747 1.00 64.43 N ATOM 2384 CA SER A 180 15.905 33.701 6.693 1.00 24.51 C ATOM 2385 C SER A 180 14.568 34.254 6.211 1.00 12.14 C ATOM 2386 O SER A 180 14.167 35.356 6.587 1.00 10.55 O ATOM 2387 CB SER A 180 17.029 34.175 5.769 1.00 31.14 C ATOM 2388 OG SER A 180 18.150 33.311 5.844 1.00 33.03 O ATOM 0 H SER A 180 16.561 31.786 6.148 1.00 64.43 H new ATOM 0 HA SER A 180 16.091 34.074 7.700 1.00 24.51 H new ATOM 0 HB2 SER A 180 16.666 34.217 4.742 1.00 31.14 H new ATOM 0 HB3 SER A 180 17.327 35.187 6.043 1.00 31.14 H new ATOM 0 HG SER A 180 18.853 33.635 5.243 1.00 33.03 H new ATOM 2394 N LEU A 181 13.881 33.482 5.377 1.00 62.51 N ATOM 2395 CA LEU A 181 12.588 33.893 4.842 1.00 33.03 C ATOM 2396 C LEU A 181 11.468 33.590 5.833 1.00 50.41 C ATOM 2397 O LEU A 181 10.426 34.245 5.826 1.00 54.13 O ATOM 2398 CB LEU A 181 12.314 33.185 3.514 1.00 2.11 C ATOM 2399 CG LEU A 181 13.373 33.367 2.426 1.00 23.53 C ATOM 2400 CD1 LEU A 181 13.528 32.091 1.613 1.00 34.54 C ATOM 2401 CD2 LEU A 181 13.014 34.537 1.522 1.00 24.23 C ATOM 0 H LEU A 181 14.198 32.567 5.056 1.00 62.51 H new ATOM 0 HA LEU A 181 12.618 34.969 4.673 1.00 33.03 H new ATOM 0 HB2 LEU A 181 12.203 32.119 3.710 1.00 2.11 H new ATOM 0 HB3 LEU A 181 11.359 33.539 3.126 1.00 2.11 H new ATOM 0 HG LEU A 181 14.326 33.585 2.907 1.00 23.53 H new ATOM 0 HD11 LEU A 181 14.286 32.240 0.844 1.00 34.54 H new ATOM 0 HD12 LEU A 181 13.832 31.276 2.270 1.00 34.54 H new ATOM 0 HD13 LEU A 181 12.577 31.842 1.142 1.00 34.54 H new ATOM 0 HD21 LEU A 181 13.779 34.651 0.754 1.00 24.23 H new ATOM 0 HD22 LEU A 181 12.050 34.349 1.049 1.00 24.23 H new ATOM 0 HD23 LEU A 181 12.956 35.450 2.115 1.00 24.23 H new ATOM 2413 N SER A 182 11.692 32.596 6.686 1.00 71.45 N ATOM 2414 CA SER A 182 10.701 32.205 7.682 1.00 42.13 C ATOM 2415 C SER A 182 10.429 33.349 8.654 1.00 21.55 C ATOM 2416 O SER A 182 9.288 33.781 8.818 1.00 41.13 O ATOM 2417 CB SER A 182 11.178 30.970 8.449 1.00 53.21 C ATOM 2418 OG SER A 182 10.091 30.121 8.774 1.00 31.00 O ATOM 0 H SER A 182 12.551 32.046 6.708 1.00 71.45 H new ATOM 0 HA SER A 182 9.774 31.965 7.162 1.00 42.13 H new ATOM 0 HB2 SER A 182 11.904 30.423 7.848 1.00 53.21 H new ATOM 0 HB3 SER A 182 11.688 31.279 9.362 1.00 53.21 H new ATOM 0 HG SER A 182 10.422 29.338 9.262 1.00 31.00 H new ATOM 2424 N ASP A 183 11.485 33.833 9.298 1.00 3.11 N ATOM 2425 CA ASP A 183 11.362 34.927 10.254 1.00 3.15 C ATOM 2426 C ASP A 183 11.540 36.275 9.564 1.00 51.55 C ATOM 2427 O ASP A 183 10.583 36.845 9.037 1.00 50.00 O ATOM 2428 CB ASP A 183 12.394 34.773 11.373 1.00 0.41 C ATOM 2429 CG ASP A 183 11.843 34.024 12.570 1.00 13.43 C ATOM 2430 OD1 ASP A 183 11.757 32.780 12.504 1.00 54.00 O ATOM 2431 OD2 ASP A 183 11.498 34.682 13.574 1.00 41.31 O ATOM 0 H ASP A 183 12.436 33.485 9.175 1.00 3.11 H new ATOM 0 HA ASP A 183 10.361 34.889 10.685 1.00 3.15 H new ATOM 0 HB2 ASP A 183 13.267 34.245 10.988 1.00 0.41 H new ATOM 0 HB3 ASP A 183 12.732 35.760 11.690 1.00 0.41 H new