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= -7.27! C(o=-5.4!,f=-6.7!) USER MOD Set 1.2: A 107 LYS NZ :NH3+ -163:sc= 1.87 (180deg=1.47) USER MOD Set 2.1: A 92 LYS NZ :NH3+ -166:sc= 0.58 (180deg=0.472) USER MOD Set 2.2: A 180 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 33 GLN : amide:sc= 0 X(o=-0.05,f=-0.05) USER MOD Set 3.2: A 104 GLN : amide:sc= -0.0498 X(o=-0.05,f=-0.31) USER MOD Set 4.1: A 28 MET CE :methyl -138:sc= -0.218 (180deg=-3.14!) USER MOD Set 4.2: A 106 TYR OH : rot 180:sc= -0.582 USER MOD Set 4.3: A 110 MET CE :methyl -157:sc= 0 (180deg=0) 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= -0.955 K(o=-0.95,f=-1.7) USER MOD Single : A 19 THR OG1 : rot 76:sc= 0.722 USER MOD Single : A 23 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0705) USER MOD Single : A 29 SER OG : rot 180:sc= -0.695 USER MOD Single : A 30 SER OG : rot 70:sc= 1.23 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 30:sc= -0.236 USER MOD Single : A 43 MET CE :methyl -172:sc= 0 (180deg=-0.145) USER MOD Single : A 45 LYS NZ :NH3+ 154:sc= -0.131 (180deg=-0.612) USER MOD Single : A 53 THR OG1 : rot 86:sc= 0.949 USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.909 USER MOD Single : A 61 SER OG : rot 180:sc= -0.0123 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot -68:sc= -0.109 USER MOD Single : A 70 HIS : no HD1:sc= -1.05 X(o=-1.1,f=-1.4) USER MOD Single : A 75 MET CE :methyl -156:sc= -0.0368 (180deg=-0.345) USER MOD Single : A 77 GLN : amide:sc= -0.0635 K(o=-0.063,f=-0.65) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= -2.5! C(o=-2.5!,f=-4.4!) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 MET CE :methyl -126:sc= -0.15 (180deg=-3.18!) USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl -179:sc= -1.84 (180deg=-1.9) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 67:sc= 0.103 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 112 THR OG1 : rot 180:sc= 0.0117 USER MOD Single : A 115 HIS : no HD1:sc= -0.0601 X(o=-0.06,f=-0.017) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 ASN : amide:sc= -0.318 K(o=-0.32,f=-1.2) USER MOD Single : A 130 GLN : amide:sc= 0 X(o=0,f=-0.044) USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 135 MET CE :methyl -163:sc= 0 (180deg=-0.158) USER MOD Single : A 137 SER OG : rot 180:sc= 0 USER MOD Single : A 171 THR OG1 : rot 180:sc= 0 USER MOD Single : A 178 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 182 SER OG : rot -92:sc= 1.25 USER MOD ----------------------------------------------------------------- ATOM 122 N ASP A 12 5.117 11.652 -13.939 1.00 72.04 N ATOM 123 CA ASP A 12 4.170 12.647 -14.430 1.00 22.01 C ATOM 124 C ASP A 12 4.250 13.927 -13.603 1.00 72.42 C ATOM 125 O ASP A 12 4.000 15.021 -14.108 1.00 44.50 O ATOM 126 CB ASP A 12 2.747 12.089 -14.393 1.00 54.24 C ATOM 127 CG ASP A 12 2.391 11.327 -15.655 1.00 12.41 C ATOM 128 OD1 ASP A 12 2.866 10.183 -15.811 1.00 62.14 O ATOM 129 OD2 ASP A 12 1.636 11.875 -16.485 1.00 43.14 O ATOM 0 HA ASP A 12 4.432 12.885 -15.461 1.00 22.01 H new ATOM 0 HB2 ASP A 12 2.641 11.430 -13.532 1.00 54.24 H new ATOM 0 HB3 ASP A 12 2.042 12.909 -14.256 1.00 54.24 H new ATOM 134 N LYS A 13 4.598 13.781 -12.329 1.00 52.11 N ATOM 135 CA LYS A 13 4.711 14.924 -11.431 1.00 52.10 C ATOM 136 C LYS A 13 5.903 15.798 -11.809 1.00 74.33 C ATOM 137 O LYS A 13 5.818 17.026 -11.782 1.00 65.44 O ATOM 138 CB LYS A 13 4.852 14.449 -9.983 1.00 42.21 C ATOM 139 CG LYS A 13 5.279 15.546 -9.022 1.00 74.52 C ATOM 140 CD LYS A 13 4.455 15.520 -7.746 1.00 32.43 C ATOM 141 CE LYS A 13 3.382 16.598 -7.753 1.00 33.52 C ATOM 142 NZ LYS A 13 2.112 16.120 -7.139 1.00 11.02 N ATOM 0 H LYS A 13 4.807 12.882 -11.895 1.00 52.11 H new ATOM 0 HA LYS A 13 3.803 15.519 -11.525 1.00 52.10 H new ATOM 0 HB2 LYS A 13 3.899 14.036 -9.650 1.00 42.21 H new ATOM 0 HB3 LYS A 13 5.581 13.639 -9.944 1.00 42.21 H new ATOM 0 HG2 LYS A 13 6.334 15.426 -8.777 1.00 74.52 H new ATOM 0 HG3 LYS A 13 5.172 16.517 -9.506 1.00 74.52 H new ATOM 0 HD2 LYS A 13 3.988 14.541 -7.633 1.00 32.43 H new ATOM 0 HD3 LYS A 13 5.110 15.662 -6.886 1.00 32.43 H new ATOM 0 HE2 LYS A 13 3.742 17.472 -7.210 1.00 33.52 H new ATOM 0 HE3 LYS A 13 3.193 16.916 -8.778 1.00 33.52 H new ATOM 0 HZ1 LYS A 13 1.406 16.883 -7.163 1.00 11.02 H new ATOM 0 HZ2 LYS A 13 1.755 15.302 -7.672 1.00 11.02 H new ATOM 0 HZ3 LYS A 13 2.287 15.841 -6.153 1.00 11.02 H new ATOM 156 N VAL A 14 7.012 15.156 -12.163 1.00 50.41 N ATOM 157 CA VAL A 14 8.220 15.875 -12.550 1.00 2.24 C ATOM 158 C VAL A 14 7.947 16.826 -13.710 1.00 32.42 C ATOM 159 O VAL A 14 8.291 18.006 -13.653 1.00 43.32 O ATOM 160 CB VAL A 14 9.347 14.904 -12.950 1.00 51.32 C ATOM 161 CG1 VAL A 14 10.598 15.673 -13.347 1.00 61.23 C ATOM 162 CG2 VAL A 14 9.644 13.936 -11.815 1.00 52.01 C ATOM 0 H VAL A 14 7.099 14.140 -12.190 1.00 50.41 H new ATOM 0 HA VAL A 14 8.538 16.450 -11.681 1.00 2.24 H new ATOM 0 HB VAL A 14 9.016 14.326 -13.813 1.00 51.32 H new ATOM 0 HG11 VAL A 14 11.383 14.971 -13.626 1.00 61.23 H new ATOM 0 HG12 VAL A 14 10.373 16.322 -14.194 1.00 61.23 H new ATOM 0 HG13 VAL A 14 10.935 16.279 -12.506 1.00 61.23 H new ATOM 0 HG21 VAL A 14 10.443 13.257 -12.115 1.00 52.01 H new ATOM 0 HG22 VAL A 14 9.955 14.495 -10.932 1.00 52.01 H new ATOM 0 HG23 VAL A 14 8.747 13.361 -11.583 1.00 52.01 H new ATOM 172 N TYR A 15 7.325 16.303 -14.761 1.00 43.31 N ATOM 173 CA TYR A 15 7.007 17.105 -15.937 1.00 32.22 C ATOM 174 C TYR A 15 5.936 18.143 -15.615 1.00 31.33 C ATOM 175 O TYR A 15 5.780 19.131 -16.330 1.00 41.44 O ATOM 176 CB TYR A 15 6.534 16.206 -17.080 1.00 71.42 C ATOM 177 CG TYR A 15 5.984 16.969 -18.263 1.00 53.54 C ATOM 178 CD1 TYR A 15 6.703 18.008 -18.840 1.00 44.44 C ATOM 179 CD2 TYR A 15 4.744 16.651 -18.805 1.00 2.31 C ATOM 180 CE1 TYR A 15 6.204 18.709 -19.921 1.00 0.30 C ATOM 181 CE2 TYR A 15 4.238 17.346 -19.886 1.00 74.13 C ATOM 182 CZ TYR A 15 4.971 18.374 -20.440 1.00 50.34 C ATOM 183 OH TYR A 15 4.471 19.069 -21.518 1.00 13.23 O ATOM 0 H TYR A 15 7.031 15.328 -14.823 1.00 43.31 H new ATOM 0 HA TYR A 15 7.913 17.627 -16.245 1.00 32.22 H new ATOM 0 HB2 TYR A 15 7.367 15.587 -17.413 1.00 71.42 H new ATOM 0 HB3 TYR A 15 5.765 15.530 -16.705 1.00 71.42 H new ATOM 0 HD1 TYR A 15 7.669 18.273 -18.436 1.00 44.44 H new ATOM 0 HD2 TYR A 15 4.167 15.847 -18.373 1.00 2.31 H new ATOM 0 HE1 TYR A 15 6.776 19.515 -20.357 1.00 0.30 H new ATOM 0 HE2 TYR A 15 3.273 17.086 -20.295 1.00 74.13 H new ATOM 0 HH TYR A 15 3.593 18.708 -21.761 1.00 13.23 H new ATOM 193 N GLU A 16 5.201 17.909 -14.532 1.00 22.12 N ATOM 194 CA GLU A 16 4.145 18.823 -14.114 1.00 54.14 C ATOM 195 C GLU A 16 4.726 20.025 -13.375 1.00 52.13 C ATOM 196 O GLU A 16 4.501 21.172 -13.760 1.00 73.41 O ATOM 197 CB GLU A 16 3.137 18.099 -13.219 1.00 71.35 C ATOM 198 CG GLU A 16 2.140 17.249 -13.989 1.00 61.23 C ATOM 199 CD GLU A 16 0.841 17.980 -14.266 1.00 11.21 C ATOM 200 OE1 GLU A 16 0.404 18.762 -13.395 1.00 72.42 O ATOM 201 OE2 GLU A 16 0.261 17.771 -15.352 1.00 43.20 O ATOM 0 H GLU A 16 5.318 17.095 -13.929 1.00 22.12 H new ATOM 0 HA GLU A 16 3.635 19.180 -15.009 1.00 54.14 H new ATOM 0 HB2 GLU A 16 3.678 17.464 -12.517 1.00 71.35 H new ATOM 0 HB3 GLU A 16 2.593 18.836 -12.628 1.00 71.35 H new ATOM 0 HG2 GLU A 16 2.586 16.939 -14.934 1.00 61.23 H new ATOM 0 HG3 GLU A 16 1.928 16.342 -13.423 1.00 61.23 H new ATOM 208 N ASN A 17 5.474 19.753 -12.311 1.00 61.32 N ATOM 209 CA ASN A 17 6.087 20.811 -11.517 1.00 11.13 C ATOM 210 C ASN A 17 6.899 21.754 -12.400 1.00 32.40 C ATOM 211 O ASN A 17 6.840 22.973 -12.243 1.00 41.34 O ATOM 212 CB ASN A 17 6.985 20.210 -10.433 1.00 75.55 C ATOM 213 CG ASN A 17 6.189 19.531 -9.335 1.00 4.23 C ATOM 214 OD1 ASN A 17 6.443 18.376 -8.993 1.00 35.13 O ATOM 215 ND2 ASN A 17 5.221 20.248 -8.776 1.00 5.40 N ATOM 0 H ASN A 17 5.670 18.809 -11.979 1.00 61.32 H new ATOM 0 HA ASN A 17 5.289 21.383 -11.043 1.00 11.13 H new ATOM 0 HB2 ASN A 17 7.664 19.487 -10.886 1.00 75.55 H new ATOM 0 HB3 ASN A 17 7.601 20.997 -9.998 1.00 75.55 H new ATOM 0 HD21 ASN A 17 4.653 19.845 -8.031 1.00 5.40 H new ATOM 0 HD22 ASN A 17 5.046 21.202 -9.091 1.00 5.40 H new ATOM 222 N VAL A 18 7.656 21.179 -13.329 1.00 41.55 N ATOM 223 CA VAL A 18 8.479 21.968 -14.239 1.00 73.44 C ATOM 224 C VAL A 18 7.634 22.973 -15.013 1.00 15.31 C ATOM 225 O VAL A 18 8.142 23.982 -15.504 1.00 30.12 O ATOM 226 CB VAL A 18 9.229 21.068 -15.239 1.00 64.01 C ATOM 227 CG1 VAL A 18 10.040 21.911 -16.212 1.00 31.11 C ATOM 228 CG2 VAL A 18 10.123 20.083 -14.501 1.00 65.24 C ATOM 0 H VAL A 18 7.717 20.171 -13.471 1.00 41.55 H new ATOM 0 HA VAL A 18 9.205 22.503 -13.626 1.00 73.44 H new ATOM 0 HB VAL A 18 8.496 20.500 -15.812 1.00 64.01 H new ATOM 0 HG11 VAL A 18 10.563 21.258 -16.911 1.00 31.11 H new ATOM 0 HG12 VAL A 18 9.373 22.573 -16.764 1.00 31.11 H new ATOM 0 HG13 VAL A 18 10.766 22.507 -15.659 1.00 31.11 H new ATOM 0 HG21 VAL A 18 10.646 19.455 -15.222 1.00 65.24 H new ATOM 0 HG22 VAL A 18 10.851 20.630 -13.902 1.00 65.24 H new ATOM 0 HG23 VAL A 18 9.514 19.457 -13.849 1.00 65.24 H new ATOM 238 N THR A 19 6.338 22.693 -15.118 1.00 62.22 N ATOM 239 CA THR A 19 5.421 23.572 -15.833 1.00 4.14 C ATOM 240 C THR A 19 4.739 24.546 -14.879 1.00 75.01 C ATOM 241 O THR A 19 4.694 25.749 -15.132 1.00 4.23 O ATOM 242 CB THR A 19 4.345 22.769 -16.586 1.00 35.53 C ATOM 243 OG1 THR A 19 4.912 21.564 -17.113 1.00 54.25 O ATOM 244 CG2 THR A 19 3.747 23.592 -17.717 1.00 22.12 C ATOM 0 H THR A 19 5.900 21.864 -14.717 1.00 62.22 H new ATOM 0 HA THR A 19 6.016 24.131 -16.555 1.00 4.14 H new ATOM 0 HB THR A 19 3.551 22.519 -15.882 1.00 35.53 H new ATOM 0 HG1 THR A 19 5.033 20.915 -16.389 1.00 54.25 H new ATOM 0 HG21 THR A 19 2.989 23.003 -18.234 1.00 22.12 H new ATOM 0 HG22 THR A 19 3.290 24.493 -17.309 1.00 22.12 H new ATOM 0 HG23 THR A 19 4.533 23.870 -18.420 1.00 22.12 H new ATOM 252 N GLY A 20 4.207 24.017 -13.781 1.00 11.41 N ATOM 253 CA GLY A 20 3.534 24.855 -12.806 1.00 14.04 C ATOM 254 C GLY A 20 4.360 26.062 -12.409 1.00 51.44 C ATOM 255 O GLY A 20 3.874 27.194 -12.439 1.00 34.22 O ATOM 0 H GLY A 20 4.230 23.024 -13.550 1.00 11.41 H new ATOM 0 HA2 GLY A 20 2.581 25.190 -13.216 1.00 14.04 H new ATOM 0 HA3 GLY A 20 3.309 24.265 -11.918 1.00 14.04 H new ATOM 259 N LEU A 21 5.612 25.823 -12.036 1.00 41.50 N ATOM 260 CA LEU A 21 6.508 26.901 -11.630 1.00 63.31 C ATOM 261 C LEU A 21 6.534 28.011 -12.676 1.00 13.04 C ATOM 262 O LEU A 21 6.712 29.184 -12.347 1.00 31.13 O ATOM 263 CB LEU A 21 7.922 26.359 -11.410 1.00 51.13 C ATOM 264 CG LEU A 21 8.493 25.497 -12.536 1.00 72.54 C ATOM 265 CD1 LEU A 21 9.175 26.366 -13.581 1.00 74.14 C ATOM 266 CD2 LEU A 21 9.466 24.467 -11.979 1.00 55.42 C ATOM 0 H LEU A 21 6.030 24.893 -12.006 1.00 41.50 H new ATOM 0 HA LEU A 21 6.135 27.318 -10.694 1.00 63.31 H new ATOM 0 HB2 LEU A 21 8.592 27.203 -11.250 1.00 51.13 H new ATOM 0 HB3 LEU A 21 7.925 25.771 -10.492 1.00 51.13 H new ATOM 0 HG LEU A 21 7.669 24.968 -13.015 1.00 72.54 H new ATOM 0 HD11 LEU A 21 9.575 25.735 -14.374 1.00 74.14 H new ATOM 0 HD12 LEU A 21 8.451 27.064 -14.003 1.00 74.14 H new ATOM 0 HD13 LEU A 21 9.988 26.924 -13.116 1.00 74.14 H new ATOM 0 HD21 LEU A 21 9.862 23.862 -12.795 1.00 55.42 H new ATOM 0 HD22 LEU A 21 10.286 24.977 -11.474 1.00 55.42 H new ATOM 0 HD23 LEU A 21 8.947 23.823 -11.269 1.00 55.42 H new ATOM 278 N VAL A 22 6.352 27.633 -13.937 1.00 42.31 N ATOM 279 CA VAL A 22 6.351 28.597 -15.031 1.00 52.11 C ATOM 280 C VAL A 22 5.150 29.532 -14.938 1.00 43.22 C ATOM 281 O VAL A 22 5.292 30.753 -15.019 1.00 73.43 O ATOM 282 CB VAL A 22 6.334 27.892 -16.400 1.00 73.03 C ATOM 283 CG1 VAL A 22 6.544 28.898 -17.522 1.00 20.12 C ATOM 284 CG2 VAL A 22 7.390 26.798 -16.449 1.00 52.21 C ATOM 0 H VAL A 22 6.203 26.666 -14.226 1.00 42.31 H new ATOM 0 HA VAL A 22 7.269 29.179 -14.942 1.00 52.11 H new ATOM 0 HB VAL A 22 5.357 27.429 -16.538 1.00 73.03 H new ATOM 0 HG11 VAL A 22 6.529 28.381 -18.482 1.00 20.12 H new ATOM 0 HG12 VAL A 22 5.747 29.642 -17.498 1.00 20.12 H new ATOM 0 HG13 VAL A 22 7.506 29.393 -17.392 1.00 20.12 H new ATOM 0 HG21 VAL A 22 7.364 26.310 -17.423 1.00 52.21 H new ATOM 0 HG22 VAL A 22 8.375 27.236 -16.289 1.00 52.21 H new ATOM 0 HG23 VAL A 22 7.189 26.063 -15.670 1.00 52.21 H new ATOM 294 N LYS A 23 3.967 28.952 -14.767 1.00 23.01 N ATOM 295 CA LYS A 23 2.740 29.732 -14.661 1.00 1.12 C ATOM 296 C LYS A 23 2.886 30.836 -13.619 1.00 12.35 C ATOM 297 O LYS A 23 2.398 31.950 -13.808 1.00 72.12 O ATOM 298 CB LYS A 23 1.564 28.824 -14.296 1.00 31.31 C ATOM 299 CG LYS A 23 1.436 27.604 -15.192 1.00 43.23 C ATOM 300 CD LYS A 23 0.157 26.835 -14.909 1.00 54.41 C ATOM 301 CE LYS A 23 0.220 25.422 -15.469 1.00 12.53 C ATOM 302 NZ LYS A 23 -0.035 24.398 -14.418 1.00 41.03 N ATOM 0 H LYS A 23 3.832 27.943 -14.699 1.00 23.01 H new ATOM 0 HA LYS A 23 2.548 30.194 -15.630 1.00 1.12 H new ATOM 0 HB2 LYS A 23 1.677 28.495 -13.263 1.00 31.31 H new ATOM 0 HB3 LYS A 23 0.641 29.401 -14.348 1.00 31.31 H new ATOM 0 HG2 LYS A 23 1.450 27.916 -16.236 1.00 43.23 H new ATOM 0 HG3 LYS A 23 2.295 26.950 -15.043 1.00 43.23 H new ATOM 0 HD2 LYS A 23 -0.013 26.794 -13.833 1.00 54.41 H new ATOM 0 HD3 LYS A 23 -0.690 27.363 -15.346 1.00 54.41 H new ATOM 0 HE2 LYS A 23 -0.515 25.314 -16.267 1.00 12.53 H new ATOM 0 HE3 LYS A 23 1.201 25.251 -15.913 1.00 12.53 H new ATOM 0 HZ1 LYS A 23 0.245 23.461 -14.771 1.00 41.03 H new ATOM 0 HZ2 LYS A 23 0.519 24.628 -13.568 1.00 41.03 H new ATOM 0 HZ3 LYS A 23 -1.047 24.390 -14.180 1.00 41.03 H new ATOM 316 N ALA A 24 3.561 30.520 -12.519 1.00 3.15 N ATOM 317 CA ALA A 24 3.774 31.487 -11.448 1.00 60.44 C ATOM 318 C ALA A 24 4.669 32.631 -11.912 1.00 70.10 C ATOM 319 O ALA A 24 4.415 33.795 -11.603 1.00 41.32 O ATOM 320 CB ALA A 24 4.378 30.802 -10.231 1.00 74.21 C ATOM 0 H ALA A 24 3.970 29.602 -12.346 1.00 3.15 H new ATOM 0 HA ALA A 24 2.806 31.906 -11.172 1.00 60.44 H new ATOM 0 HB1 ALA A 24 4.532 31.535 -9.439 1.00 74.21 H new ATOM 0 HB2 ALA A 24 3.701 30.024 -9.878 1.00 74.21 H new ATOM 0 HB3 ALA A 24 5.335 30.355 -10.502 1.00 74.21 H new ATOM 326 N VAL A 25 5.718 32.292 -12.655 1.00 1.13 N ATOM 327 CA VAL A 25 6.651 33.292 -13.161 1.00 71.53 C ATOM 328 C VAL A 25 5.932 34.334 -14.011 1.00 30.34 C ATOM 329 O VAL A 25 6.347 35.491 -14.073 1.00 52.41 O ATOM 330 CB VAL A 25 7.767 32.643 -14.001 1.00 24.32 C ATOM 331 CG1 VAL A 25 8.820 33.674 -14.378 1.00 52.04 C ATOM 332 CG2 VAL A 25 8.395 31.481 -13.245 1.00 74.24 C ATOM 0 H VAL A 25 5.943 31.333 -12.920 1.00 1.13 H new ATOM 0 HA VAL A 25 7.095 33.779 -12.293 1.00 71.53 H new ATOM 0 HB VAL A 25 7.327 32.255 -14.920 1.00 24.32 H new ATOM 0 HG11 VAL A 25 9.600 33.197 -14.971 1.00 52.04 H new ATOM 0 HG12 VAL A 25 8.357 34.471 -14.961 1.00 52.04 H new ATOM 0 HG13 VAL A 25 9.258 34.094 -13.473 1.00 52.04 H new ATOM 0 HG21 VAL A 25 9.182 31.034 -13.853 1.00 74.24 H new ATOM 0 HG22 VAL A 25 8.821 31.843 -12.310 1.00 74.24 H new ATOM 0 HG23 VAL A 25 7.633 30.732 -13.030 1.00 74.24 H new ATOM 342 N ILE A 26 4.852 33.915 -14.662 1.00 43.32 N ATOM 343 CA ILE A 26 4.074 34.813 -15.507 1.00 5.33 C ATOM 344 C ILE A 26 3.176 35.716 -14.668 1.00 73.31 C ATOM 345 O ILE A 26 3.147 36.931 -14.861 1.00 23.35 O ATOM 346 CB ILE A 26 3.206 34.031 -16.510 1.00 13.44 C ATOM 347 CG1 ILE A 26 4.044 32.969 -17.224 1.00 52.20 C ATOM 348 CG2 ILE A 26 2.574 34.981 -17.516 1.00 43.25 C ATOM 349 CD1 ILE A 26 3.256 32.148 -18.221 1.00 22.34 C ATOM 0 H ILE A 26 4.496 32.960 -14.621 1.00 43.32 H new ATOM 0 HA ILE A 26 4.787 35.426 -16.058 1.00 5.33 H new ATOM 0 HB ILE A 26 2.408 33.529 -15.963 1.00 13.44 H new ATOM 0 HG12 ILE A 26 4.871 33.457 -17.740 1.00 52.20 H new ATOM 0 HG13 ILE A 26 4.481 32.302 -16.481 1.00 52.20 H new ATOM 0 HG21 ILE A 26 1.963 34.414 -18.218 1.00 43.25 H new ATOM 0 HG22 ILE A 26 1.948 35.703 -16.991 1.00 43.25 H new ATOM 0 HG23 ILE A 26 3.357 35.509 -18.060 1.00 43.25 H new ATOM 0 HD11 ILE A 26 3.913 31.415 -18.689 1.00 22.34 H new ATOM 0 HD12 ILE A 26 2.445 31.632 -17.707 1.00 22.34 H new ATOM 0 HD13 ILE A 26 2.841 32.804 -18.986 1.00 22.34 H new ATOM 361 N GLU A 27 2.444 35.112 -13.736 1.00 44.33 N ATOM 362 CA GLU A 27 1.545 35.862 -12.867 1.00 43.53 C ATOM 363 C GLU A 27 2.271 37.037 -12.218 1.00 11.32 C ATOM 364 O GLU A 27 1.908 38.195 -12.424 1.00 32.04 O ATOM 365 CB GLU A 27 0.963 34.948 -11.787 1.00 42.22 C ATOM 366 CG GLU A 27 -0.538 35.100 -11.605 1.00 5.52 C ATOM 367 CD GLU A 27 -0.976 34.877 -10.171 1.00 15.44 C ATOM 368 OE1 GLU A 27 -0.880 33.727 -9.693 1.00 45.33 O ATOM 369 OE2 GLU A 27 -1.417 35.852 -9.526 1.00 21.21 O ATOM 0 H GLU A 27 2.456 34.107 -13.564 1.00 44.33 H new ATOM 0 HA GLU A 27 0.732 36.253 -13.479 1.00 43.53 H new ATOM 0 HB2 GLU A 27 1.187 33.912 -12.041 1.00 42.22 H new ATOM 0 HB3 GLU A 27 1.459 35.158 -10.839 1.00 42.22 H new ATOM 0 HG2 GLU A 27 -0.840 36.098 -11.922 1.00 5.52 H new ATOM 0 HG3 GLU A 27 -1.053 34.390 -12.253 1.00 5.52 H new ATOM 376 N MET A 28 3.298 36.730 -11.432 1.00 72.43 N ATOM 377 CA MET A 28 4.075 37.760 -10.753 1.00 21.42 C ATOM 378 C MET A 28 4.654 38.753 -11.755 1.00 3.32 C ATOM 379 O MET A 28 4.629 39.963 -11.529 1.00 14.10 O ATOM 380 CB MET A 28 5.203 37.123 -9.938 1.00 12.21 C ATOM 381 CG MET A 28 6.133 36.251 -10.765 1.00 74.42 C ATOM 382 SD MET A 28 6.929 34.962 -9.787 1.00 74.33 S ATOM 383 CE MET A 28 8.603 35.591 -9.696 1.00 11.30 C ATOM 0 H MET A 28 3.611 35.777 -11.250 1.00 72.43 H new ATOM 0 HA MET A 28 3.409 38.298 -10.079 1.00 21.42 H new ATOM 0 HB2 MET A 28 5.786 37.911 -9.462 1.00 12.21 H new ATOM 0 HB3 MET A 28 4.768 36.521 -9.140 1.00 12.21 H new ATOM 0 HG2 MET A 28 5.568 35.790 -11.575 1.00 74.42 H new ATOM 0 HG3 MET A 28 6.898 36.877 -11.225 1.00 74.42 H new ATOM 0 HE1 MET A 28 9.308 34.772 -9.840 1.00 11.30 H new ATOM 0 HE2 MET A 28 8.753 36.340 -10.474 1.00 11.30 H new ATOM 0 HE3 MET A 28 8.769 36.045 -8.719 1.00 11.30 H new ATOM 393 N SER A 29 5.176 38.235 -12.862 1.00 23.43 N ATOM 394 CA SER A 29 5.766 39.076 -13.896 1.00 54.52 C ATOM 395 C SER A 29 4.742 40.070 -14.437 1.00 34.12 C ATOM 396 O SER A 29 5.101 41.093 -15.020 1.00 35.20 O ATOM 397 CB SER A 29 6.308 38.214 -15.037 1.00 43.15 C ATOM 398 OG SER A 29 6.395 38.957 -16.241 1.00 72.12 O ATOM 0 H SER A 29 5.202 37.236 -13.066 1.00 23.43 H new ATOM 0 HA SER A 29 6.589 39.634 -13.450 1.00 54.52 H new ATOM 0 HB2 SER A 29 7.293 37.830 -14.771 1.00 43.15 H new ATOM 0 HB3 SER A 29 5.659 37.351 -15.185 1.00 43.15 H new ATOM 0 HG SER A 29 6.746 38.384 -16.954 1.00 72.12 H new ATOM 404 N SER A 30 3.464 39.760 -14.239 1.00 3.25 N ATOM 405 CA SER A 30 2.387 40.623 -14.709 1.00 33.31 C ATOM 406 C SER A 30 2.220 41.832 -13.794 1.00 2.20 C ATOM 407 O SER A 30 2.349 42.977 -14.228 1.00 53.04 O ATOM 408 CB SER A 30 1.074 39.840 -14.783 1.00 1.42 C ATOM 409 OG SER A 30 1.251 38.611 -15.464 1.00 61.52 O ATOM 0 H SER A 30 3.150 38.918 -13.757 1.00 3.25 H new ATOM 0 HA SER A 30 2.648 40.978 -15.706 1.00 33.31 H new ATOM 0 HB2 SER A 30 0.702 39.651 -13.776 1.00 1.42 H new ATOM 0 HB3 SER A 30 0.319 40.437 -15.294 1.00 1.42 H new ATOM 0 HG SER A 30 1.783 38.003 -14.909 1.00 61.52 H new ATOM 415 N LYS A 31 1.933 41.570 -12.523 1.00 61.25 N ATOM 416 CA LYS A 31 1.750 42.635 -11.544 1.00 73.53 C ATOM 417 C LYS A 31 2.999 42.806 -10.686 1.00 42.15 C ATOM 418 O LYS A 31 2.911 43.138 -9.504 1.00 34.51 O ATOM 419 CB LYS A 31 0.543 42.333 -10.652 1.00 63.14 C ATOM 420 CG LYS A 31 -0.790 42.461 -11.369 1.00 0.13 C ATOM 421 CD LYS A 31 -1.740 43.379 -10.618 1.00 51.44 C ATOM 422 CE LYS A 31 -2.306 42.704 -9.379 1.00 23.43 C ATOM 423 NZ LYS A 31 -3.618 42.055 -9.651 1.00 14.14 N ATOM 0 H LYS A 31 1.822 40.628 -12.147 1.00 61.25 H new ATOM 0 HA LYS A 31 1.572 43.565 -12.084 1.00 73.53 H new ATOM 0 HB2 LYS A 31 0.638 41.322 -10.257 1.00 63.14 H new ATOM 0 HB3 LYS A 31 0.554 43.011 -9.799 1.00 63.14 H new ATOM 0 HG2 LYS A 31 -0.628 42.848 -12.375 1.00 0.13 H new ATOM 0 HG3 LYS A 31 -1.243 41.475 -11.476 1.00 0.13 H new ATOM 0 HD2 LYS A 31 -1.215 44.290 -10.329 1.00 51.44 H new ATOM 0 HD3 LYS A 31 -2.556 43.676 -11.276 1.00 51.44 H new ATOM 0 HE2 LYS A 31 -1.599 41.957 -9.018 1.00 23.43 H new ATOM 0 HE3 LYS A 31 -2.423 43.442 -8.585 1.00 23.43 H new ATOM 0 HZ1 LYS A 31 -3.970 41.606 -8.781 1.00 14.14 H new ATOM 0 HZ2 LYS A 31 -4.300 42.772 -9.971 1.00 14.14 H new ATOM 0 HZ3 LYS A 31 -3.501 41.333 -10.390 1.00 14.14 H new ATOM 437 N ILE A 32 4.161 42.580 -11.290 1.00 22.21 N ATOM 438 CA ILE A 32 5.428 42.712 -10.581 1.00 50.21 C ATOM 439 C ILE A 32 5.641 44.143 -10.099 1.00 10.04 C ATOM 440 O ILE A 32 6.124 44.368 -8.990 1.00 3.35 O ATOM 441 CB ILE A 32 6.616 42.300 -11.470 1.00 22.11 C ATOM 442 CG1 ILE A 32 7.933 42.471 -10.710 1.00 42.43 C ATOM 443 CG2 ILE A 32 6.628 43.118 -12.752 1.00 55.53 C ATOM 444 CD1 ILE A 32 8.854 41.276 -10.819 1.00 35.11 C ATOM 0 H ILE A 32 4.251 42.305 -12.268 1.00 22.21 H new ATOM 0 HA ILE A 32 5.380 42.044 -9.721 1.00 50.21 H new ATOM 0 HB ILE A 32 6.505 41.249 -11.735 1.00 22.11 H new ATOM 0 HG12 ILE A 32 8.449 43.353 -11.089 1.00 42.43 H new ATOM 0 HG13 ILE A 32 7.715 42.656 -9.658 1.00 42.43 H new ATOM 0 HG21 ILE A 32 7.474 42.815 -13.369 1.00 55.53 H new ATOM 0 HG22 ILE A 32 5.701 42.950 -13.299 1.00 55.53 H new ATOM 0 HG23 ILE A 32 6.718 44.176 -12.507 1.00 55.53 H new ATOM 0 HD11 ILE A 32 9.767 41.468 -10.256 1.00 35.11 H new ATOM 0 HD12 ILE A 32 8.356 40.395 -10.414 1.00 35.11 H new ATOM 0 HD13 ILE A 32 9.103 41.103 -11.866 1.00 35.11 H new ATOM 456 N GLN A 33 5.275 45.106 -10.939 1.00 23.31 N ATOM 457 CA GLN A 33 5.426 46.515 -10.597 1.00 15.20 C ATOM 458 C GLN A 33 4.556 46.880 -9.398 1.00 41.33 C ATOM 459 O GLN A 33 5.047 47.296 -8.349 1.00 14.54 O ATOM 460 CB GLN A 33 5.059 47.394 -11.794 1.00 63.02 C ATOM 461 CG GLN A 33 6.266 47.966 -12.521 1.00 12.34 C ATOM 462 CD GLN A 33 5.900 48.609 -13.844 1.00 14.33 C ATOM 463 OE1 GLN A 33 5.922 49.833 -13.980 1.00 20.04 O ATOM 464 NE2 GLN A 33 5.560 47.786 -14.828 1.00 73.14 N ATOM 0 H GLN A 33 4.872 44.936 -11.861 1.00 23.31 H new ATOM 0 HA GLN A 33 6.469 46.689 -10.333 1.00 15.20 H new ATOM 0 HB2 GLN A 33 4.466 46.808 -12.496 1.00 63.02 H new ATOM 0 HB3 GLN A 33 4.429 48.215 -11.452 1.00 63.02 H new ATOM 0 HG2 GLN A 33 6.752 48.705 -11.884 1.00 12.34 H new ATOM 0 HG3 GLN A 33 6.990 47.171 -12.696 1.00 12.34 H new ATOM 0 HE21 GLN A 33 5.555 46.778 -14.671 1.00 73.14 H new ATOM 0 HE22 GLN A 33 5.303 48.161 -15.741 1.00 73.14 H new ATOM 473 N PRO A 34 3.234 46.722 -9.556 1.00 35.01 N ATOM 474 CA PRO A 34 2.268 47.029 -8.497 1.00 12.33 C ATOM 475 C PRO A 34 2.347 46.043 -7.336 1.00 54.04 C ATOM 476 O PRO A 34 1.709 46.236 -6.301 1.00 64.35 O ATOM 477 CB PRO A 34 0.916 46.914 -9.205 1.00 52.43 C ATOM 478 CG PRO A 34 1.162 45.984 -10.342 1.00 72.23 C ATOM 479 CD PRO A 34 2.579 46.230 -10.780 1.00 1.30 C ATOM 0 HA PRO A 34 2.449 48.007 -8.052 1.00 12.33 H new ATOM 0 HB2 PRO A 34 0.150 46.525 -8.534 1.00 52.43 H new ATOM 0 HB3 PRO A 34 0.569 47.886 -9.556 1.00 52.43 H new ATOM 0 HG2 PRO A 34 1.023 44.947 -10.035 1.00 72.23 H new ATOM 0 HG3 PRO A 34 0.463 46.171 -11.157 1.00 72.23 H new ATOM 0 HD2 PRO A 34 3.049 45.319 -11.149 1.00 1.30 H new ATOM 0 HD3 PRO A 34 2.629 46.963 -11.585 1.00 1.30 H new ATOM 487 N ALA A 35 3.133 44.987 -7.516 1.00 74.42 N ATOM 488 CA ALA A 35 3.296 43.972 -6.483 1.00 24.41 C ATOM 489 C ALA A 35 3.547 44.610 -5.121 1.00 43.20 C ATOM 490 O ALA A 35 4.628 45.131 -4.842 1.00 74.31 O ATOM 491 CB ALA A 35 4.435 43.030 -6.844 1.00 62.42 C ATOM 0 H ALA A 35 3.667 44.812 -8.367 1.00 74.42 H new ATOM 0 HA ALA A 35 2.370 43.399 -6.422 1.00 24.41 H new ATOM 0 HB1 ALA A 35 4.546 42.277 -6.064 1.00 62.42 H new ATOM 0 HB2 ALA A 35 4.215 42.540 -7.793 1.00 62.42 H new ATOM 0 HB3 ALA A 35 5.361 43.597 -6.935 1.00 62.42 H new ATOM 497 N PRO A 36 2.527 44.572 -4.251 1.00 72.44 N ATOM 498 CA PRO A 36 2.613 45.142 -2.904 1.00 1.31 C ATOM 499 C PRO A 36 3.545 44.347 -1.996 1.00 41.11 C ATOM 500 O PRO A 36 3.962 43.234 -2.316 1.00 73.32 O ATOM 501 CB PRO A 36 1.173 45.063 -2.392 1.00 55.34 C ATOM 502 CG PRO A 36 0.558 43.945 -3.162 1.00 1.33 C ATOM 503 CD PRO A 36 1.210 43.967 -4.516 1.00 44.34 C ATOM 0 HA PRO A 36 3.021 46.153 -2.915 1.00 1.31 H new ATOM 0 HB2 PRO A 36 1.144 44.868 -1.320 1.00 55.34 H new ATOM 0 HB3 PRO A 36 0.641 45.999 -2.560 1.00 55.34 H new ATOM 0 HG2 PRO A 36 0.725 42.990 -2.664 1.00 1.33 H new ATOM 0 HG3 PRO A 36 -0.521 44.076 -3.246 1.00 1.33 H new ATOM 0 HD2 PRO A 36 1.305 42.964 -4.933 1.00 44.34 H new ATOM 0 HD3 PRO A 36 0.634 44.556 -5.230 1.00 44.34 H new ATOM 511 N PRO A 37 3.881 44.930 -0.835 1.00 70.55 N ATOM 512 CA PRO A 37 4.767 44.292 0.143 1.00 32.30 C ATOM 513 C PRO A 37 4.114 43.092 0.821 1.00 15.42 C ATOM 514 O PRO A 37 4.797 42.245 1.394 1.00 34.54 O ATOM 515 CB PRO A 37 5.030 45.404 1.161 1.00 11.02 C ATOM 516 CG PRO A 37 3.848 46.305 1.052 1.00 22.43 C ATOM 517 CD PRO A 37 3.421 46.255 -0.389 1.00 4.33 C ATOM 0 HA PRO A 37 5.671 43.898 -0.322 1.00 32.30 H new ATOM 0 HB2 PRO A 37 5.130 45.002 2.169 1.00 11.02 H new ATOM 0 HB3 PRO A 37 5.955 45.935 0.937 1.00 11.02 H new ATOM 0 HG2 PRO A 37 3.044 45.975 1.709 1.00 22.43 H new ATOM 0 HG3 PRO A 37 4.104 47.322 1.348 1.00 22.43 H new ATOM 0 HD2 PRO A 37 2.341 46.361 -0.492 1.00 4.33 H new ATOM 0 HD3 PRO A 37 3.877 47.056 -0.971 1.00 4.33 H new ATOM 525 N GLU A 38 2.788 43.028 0.751 1.00 15.30 N ATOM 526 CA GLU A 38 2.043 41.932 1.359 1.00 22.23 C ATOM 527 C GLU A 38 1.953 40.742 0.408 1.00 21.23 C ATOM 528 O GLU A 38 1.886 39.592 0.842 1.00 52.23 O ATOM 529 CB GLU A 38 0.638 42.394 1.749 1.00 12.53 C ATOM 530 CG GLU A 38 0.501 42.753 3.219 1.00 3.35 C ATOM 531 CD GLU A 38 1.125 44.094 3.553 1.00 4.40 C ATOM 532 OE1 GLU A 38 2.307 44.302 3.204 1.00 75.33 O ATOM 533 OE2 GLU A 38 0.434 44.936 4.163 1.00 12.12 O ATOM 0 H GLU A 38 2.208 43.722 0.279 1.00 15.30 H new ATOM 0 HA GLU A 38 2.576 41.619 2.257 1.00 22.23 H new ATOM 0 HB2 GLU A 38 0.369 43.261 1.145 1.00 12.53 H new ATOM 0 HB3 GLU A 38 -0.075 41.605 1.509 1.00 12.53 H new ATOM 0 HG2 GLU A 38 -0.555 42.771 3.488 1.00 3.35 H new ATOM 0 HG3 GLU A 38 0.971 41.977 3.824 1.00 3.35 H new ATOM 540 N GLU A 39 1.952 41.028 -0.890 1.00 11.00 N ATOM 541 CA GLU A 39 1.869 39.982 -1.902 1.00 75.41 C ATOM 542 C GLU A 39 3.260 39.491 -2.293 1.00 75.02 C ATOM 543 O GLU A 39 3.408 38.427 -2.895 1.00 30.13 O ATOM 544 CB GLU A 39 1.130 40.496 -3.140 1.00 5.02 C ATOM 545 CG GLU A 39 0.776 39.404 -4.135 1.00 35.24 C ATOM 546 CD GLU A 39 -0.718 39.155 -4.220 1.00 1.12 C ATOM 547 OE1 GLU A 39 -1.481 40.142 -4.279 1.00 44.41 O ATOM 548 OE2 GLU A 39 -1.124 37.974 -4.227 1.00 1.30 O ATOM 0 H GLU A 39 2.008 41.975 -1.265 1.00 11.00 H new ATOM 0 HA GLU A 39 1.314 39.145 -1.478 1.00 75.41 H new ATOM 0 HB2 GLU A 39 0.216 40.998 -2.824 1.00 5.02 H new ATOM 0 HB3 GLU A 39 1.748 41.243 -3.638 1.00 5.02 H new ATOM 0 HG2 GLU A 39 1.151 39.680 -5.120 1.00 35.24 H new ATOM 0 HG3 GLU A 39 1.279 38.480 -3.849 1.00 35.24 H new ATOM 555 N TYR A 40 4.275 40.274 -1.948 1.00 2.30 N ATOM 556 CA TYR A 40 5.654 39.922 -2.265 1.00 41.11 C ATOM 557 C TYR A 40 6.194 38.891 -1.278 1.00 51.33 C ATOM 558 O TYR A 40 6.986 38.022 -1.642 1.00 2.04 O ATOM 559 CB TYR A 40 6.538 41.171 -2.250 1.00 72.40 C ATOM 560 CG TYR A 40 7.372 41.337 -3.500 1.00 51.21 C ATOM 561 CD1 TYR A 40 6.795 41.245 -4.761 1.00 21.41 C ATOM 562 CD2 TYR A 40 8.736 41.586 -3.421 1.00 4.22 C ATOM 563 CE1 TYR A 40 7.553 41.395 -5.906 1.00 42.40 C ATOM 564 CE2 TYR A 40 9.502 41.740 -4.560 1.00 71.24 C ATOM 565 CZ TYR A 40 8.906 41.643 -5.801 1.00 11.45 C ATOM 566 OH TYR A 40 9.665 41.794 -6.938 1.00 42.41 O ATOM 0 H TYR A 40 4.169 41.157 -1.449 1.00 2.30 H new ATOM 0 HA TYR A 40 5.670 39.486 -3.264 1.00 41.11 H new ATOM 0 HB2 TYR A 40 5.907 42.051 -2.125 1.00 72.40 H new ATOM 0 HB3 TYR A 40 7.200 41.127 -1.385 1.00 72.40 H new ATOM 0 HD1 TYR A 40 5.736 41.053 -4.847 1.00 21.41 H new ATOM 0 HD2 TYR A 40 9.206 41.661 -2.452 1.00 4.22 H new ATOM 0 HE1 TYR A 40 7.089 41.319 -6.878 1.00 42.40 H new ATOM 0 HE2 TYR A 40 10.561 41.935 -4.480 1.00 71.24 H new ATOM 0 HH TYR A 40 9.110 42.168 -7.654 1.00 42.41 H new ATOM 576 N VAL A 41 5.758 38.995 -0.027 1.00 30.02 N ATOM 577 CA VAL A 41 6.195 38.072 1.014 1.00 73.22 C ATOM 578 C VAL A 41 6.012 36.623 0.575 1.00 10.23 C ATOM 579 O VAL A 41 6.957 35.835 0.542 1.00 31.41 O ATOM 580 CB VAL A 41 5.423 38.300 2.327 1.00 51.40 C ATOM 581 CG1 VAL A 41 5.286 36.997 3.100 1.00 54.44 C ATOM 582 CG2 VAL A 41 6.112 39.361 3.172 1.00 25.21 C ATOM 0 H VAL A 41 5.103 39.709 0.290 1.00 30.02 H new ATOM 0 HA VAL A 41 7.254 38.266 1.185 1.00 73.22 H new ATOM 0 HB VAL A 41 4.422 38.656 2.083 1.00 51.40 H new ATOM 0 HG11 VAL A 41 4.738 37.178 4.025 1.00 54.44 H new ATOM 0 HG12 VAL A 41 4.745 36.270 2.494 1.00 54.44 H new ATOM 0 HG13 VAL A 41 6.277 36.608 3.336 1.00 54.44 H new ATOM 0 HG21 VAL A 41 5.553 39.510 4.096 1.00 25.21 H new ATOM 0 HG22 VAL A 41 7.125 39.036 3.409 1.00 25.21 H new ATOM 0 HG23 VAL A 41 6.152 40.299 2.617 1.00 25.21 H new ATOM 592 N PRO A 42 4.767 36.262 0.230 1.00 43.25 N ATOM 593 CA PRO A 42 4.431 34.906 -0.215 1.00 11.33 C ATOM 594 C PRO A 42 5.011 34.586 -1.588 1.00 74.31 C ATOM 595 O PRO A 42 5.320 33.433 -1.888 1.00 22.14 O ATOM 596 CB PRO A 42 2.901 34.920 -0.270 1.00 3.51 C ATOM 597 CG PRO A 42 2.543 36.352 -0.477 1.00 71.51 C ATOM 598 CD PRO A 42 3.593 37.150 0.245 1.00 14.01 C ATOM 0 HA PRO A 42 4.840 34.145 0.450 1.00 11.33 H new ATOM 0 HB2 PRO A 42 2.528 34.297 -1.083 1.00 3.51 H new ATOM 0 HB3 PRO A 42 2.468 34.533 0.652 1.00 3.51 H new ATOM 0 HG2 PRO A 42 2.525 36.600 -1.538 1.00 71.51 H new ATOM 0 HG3 PRO A 42 1.550 36.567 -0.083 1.00 71.51 H new ATOM 0 HD2 PRO A 42 3.797 38.095 -0.259 1.00 14.01 H new ATOM 0 HD3 PRO A 42 3.285 37.392 1.262 1.00 14.01 H new ATOM 606 N MET A 43 5.155 35.613 -2.419 1.00 22.02 N ATOM 607 CA MET A 43 5.700 35.440 -3.760 1.00 72.44 C ATOM 608 C MET A 43 7.019 34.675 -3.717 1.00 73.41 C ATOM 609 O MET A 43 7.225 33.730 -4.480 1.00 4.35 O ATOM 610 CB MET A 43 5.907 36.800 -4.429 1.00 64.34 C ATOM 611 CG MET A 43 5.223 36.923 -5.781 1.00 63.23 C ATOM 612 SD MET A 43 5.517 38.520 -6.565 1.00 73.23 S ATOM 613 CE MET A 43 3.904 39.281 -6.398 1.00 32.42 C ATOM 0 H MET A 43 4.902 36.574 -2.187 1.00 22.02 H new ATOM 0 HA MET A 43 4.984 34.861 -4.344 1.00 72.44 H new ATOM 0 HB2 MET A 43 5.531 37.581 -3.769 1.00 64.34 H new ATOM 0 HB3 MET A 43 6.976 36.975 -4.554 1.00 64.34 H new ATOM 0 HG2 MET A 43 5.579 36.129 -6.438 1.00 63.23 H new ATOM 0 HG3 MET A 43 4.150 36.776 -5.656 1.00 63.23 H new ATOM 0 HE1 MET A 43 3.883 40.215 -6.959 1.00 32.42 H new ATOM 0 HE2 MET A 43 3.141 38.606 -6.787 1.00 32.42 H new ATOM 0 HE3 MET A 43 3.705 39.485 -5.346 1.00 32.42 H new ATOM 623 N VAL A 44 7.909 35.088 -2.821 1.00 13.34 N ATOM 624 CA VAL A 44 9.207 34.441 -2.678 1.00 4.34 C ATOM 625 C VAL A 44 9.053 32.938 -2.474 1.00 41.35 C ATOM 626 O VAL A 44 9.800 32.143 -3.045 1.00 51.25 O ATOM 627 CB VAL A 44 10.000 35.029 -1.495 1.00 43.34 C ATOM 628 CG1 VAL A 44 11.381 34.397 -1.411 1.00 42.12 C ATOM 629 CG2 VAL A 44 10.104 36.542 -1.624 1.00 22.44 C ATOM 0 H VAL A 44 7.755 35.868 -2.183 1.00 13.34 H new ATOM 0 HA VAL A 44 9.755 34.625 -3.602 1.00 4.34 H new ATOM 0 HB VAL A 44 9.466 34.801 -0.573 1.00 43.34 H new ATOM 0 HG11 VAL A 44 11.926 34.825 -0.570 1.00 42.12 H new ATOM 0 HG12 VAL A 44 11.281 33.321 -1.269 1.00 42.12 H new ATOM 0 HG13 VAL A 44 11.927 34.592 -2.334 1.00 42.12 H new ATOM 0 HG21 VAL A 44 10.667 36.941 -0.780 1.00 22.44 H new ATOM 0 HG22 VAL A 44 10.615 36.794 -2.553 1.00 22.44 H new ATOM 0 HG23 VAL A 44 9.104 36.976 -1.631 1.00 22.44 H new ATOM 639 N LYS A 45 8.078 32.554 -1.657 1.00 45.31 N ATOM 640 CA LYS A 45 7.823 31.146 -1.379 1.00 1.15 C ATOM 641 C LYS A 45 7.514 30.385 -2.663 1.00 73.45 C ATOM 642 O LYS A 45 7.918 29.234 -2.826 1.00 31.24 O ATOM 643 CB LYS A 45 6.659 31.002 -0.395 1.00 44.31 C ATOM 644 CG LYS A 45 7.084 30.532 0.985 1.00 1.34 C ATOM 645 CD LYS A 45 7.162 31.688 1.969 1.00 51.35 C ATOM 646 CE LYS A 45 8.504 31.723 2.683 1.00 43.22 C ATOM 647 NZ LYS A 45 8.651 32.940 3.528 1.00 2.15 N ATOM 0 H LYS A 45 7.451 33.199 -1.176 1.00 45.31 H new ATOM 0 HA LYS A 45 8.722 30.721 -0.934 1.00 1.15 H new ATOM 0 HB2 LYS A 45 6.152 31.962 -0.302 1.00 44.31 H new ATOM 0 HB3 LYS A 45 5.935 30.297 -0.803 1.00 44.31 H new ATOM 0 HG2 LYS A 45 6.376 29.789 1.351 1.00 1.34 H new ATOM 0 HG3 LYS A 45 8.056 30.042 0.920 1.00 1.34 H new ATOM 0 HD2 LYS A 45 7.005 32.628 1.440 1.00 51.35 H new ATOM 0 HD3 LYS A 45 6.361 31.597 2.702 1.00 51.35 H new ATOM 0 HE2 LYS A 45 8.608 30.834 3.305 1.00 43.22 H new ATOM 0 HE3 LYS A 45 9.308 31.692 1.947 1.00 43.22 H new ATOM 0 HZ1 LYS A 45 9.317 32.746 4.303 1.00 2.15 H new ATOM 0 HZ2 LYS A 45 9.014 33.724 2.948 1.00 2.15 H new ATOM 0 HZ3 LYS A 45 7.726 33.202 3.924 1.00 2.15 H new ATOM 661 N GLU A 46 6.796 31.036 -3.574 1.00 30.43 N ATOM 662 CA GLU A 46 6.434 30.418 -4.844 1.00 51.42 C ATOM 663 C GLU A 46 7.680 30.056 -5.648 1.00 13.23 C ATOM 664 O GLU A 46 7.885 28.897 -6.007 1.00 60.20 O ATOM 665 CB GLU A 46 5.544 31.360 -5.659 1.00 23.13 C ATOM 666 CG GLU A 46 4.413 30.652 -6.384 1.00 74.15 C ATOM 667 CD GLU A 46 3.053 31.240 -6.059 1.00 61.42 C ATOM 668 OE1 GLU A 46 2.834 32.431 -6.363 1.00 45.11 O ATOM 669 OE2 GLU A 46 2.208 30.509 -5.501 1.00 63.10 O ATOM 0 H GLU A 46 6.454 31.990 -3.456 1.00 30.43 H new ATOM 0 HA GLU A 46 5.883 29.503 -4.629 1.00 51.42 H new ATOM 0 HB2 GLU A 46 5.123 32.114 -4.994 1.00 23.13 H new ATOM 0 HB3 GLU A 46 6.159 31.887 -6.389 1.00 23.13 H new ATOM 0 HG2 GLU A 46 4.583 30.711 -7.459 1.00 74.15 H new ATOM 0 HG3 GLU A 46 4.421 29.595 -6.117 1.00 74.15 H new ATOM 676 N VAL A 47 8.509 31.057 -5.927 1.00 14.33 N ATOM 677 CA VAL A 47 9.734 30.846 -6.687 1.00 65.50 C ATOM 678 C VAL A 47 10.668 29.878 -5.967 1.00 55.40 C ATOM 679 O VAL A 47 11.218 28.962 -6.575 1.00 65.04 O ATOM 680 CB VAL A 47 10.478 32.172 -6.933 1.00 62.45 C ATOM 681 CG1 VAL A 47 11.626 31.967 -7.910 1.00 62.42 C ATOM 682 CG2 VAL A 47 9.517 33.234 -7.443 1.00 53.45 C ATOM 0 H VAL A 47 8.354 32.023 -5.637 1.00 14.33 H new ATOM 0 HA VAL A 47 9.441 30.419 -7.646 1.00 65.50 H new ATOM 0 HB VAL A 47 10.895 32.516 -5.987 1.00 62.45 H new ATOM 0 HG11 VAL A 47 12.140 32.915 -8.072 1.00 62.42 H new ATOM 0 HG12 VAL A 47 12.327 31.239 -7.501 1.00 62.42 H new ATOM 0 HG13 VAL A 47 11.235 31.600 -8.859 1.00 62.42 H new ATOM 0 HG21 VAL A 47 10.059 34.164 -7.612 1.00 53.45 H new ATOM 0 HG22 VAL A 47 9.069 32.900 -8.379 1.00 53.45 H new ATOM 0 HG23 VAL A 47 8.733 33.400 -6.704 1.00 53.45 H new ATOM 692 N GLY A 48 10.840 30.089 -4.666 1.00 1.25 N ATOM 693 CA GLY A 48 11.707 29.228 -3.883 1.00 60.31 C ATOM 694 C GLY A 48 11.330 27.764 -4.001 1.00 14.43 C ATOM 695 O GLY A 48 12.192 26.887 -3.946 1.00 30.43 O ATOM 0 H GLY A 48 10.394 30.841 -4.140 1.00 1.25 H new ATOM 0 HA2 GLY A 48 12.738 29.362 -4.210 1.00 60.31 H new ATOM 0 HA3 GLY A 48 11.663 29.528 -2.836 1.00 60.31 H new ATOM 699 N LEU A 49 10.038 27.499 -4.161 1.00 52.53 N ATOM 700 CA LEU A 49 9.547 26.131 -4.285 1.00 40.32 C ATOM 701 C LEU A 49 9.931 25.535 -5.636 1.00 10.32 C ATOM 702 O LEU A 49 10.258 24.353 -5.733 1.00 74.13 O ATOM 703 CB LEU A 49 8.028 26.096 -4.113 1.00 35.02 C ATOM 704 CG LEU A 49 7.439 24.775 -3.617 1.00 73.31 C ATOM 705 CD1 LEU A 49 6.907 24.926 -2.200 1.00 61.52 C ATOM 706 CD2 LEU A 49 6.339 24.296 -4.553 1.00 53.44 C ATOM 0 H LEU A 49 9.312 28.213 -4.208 1.00 52.53 H new ATOM 0 HA LEU A 49 10.009 25.533 -3.500 1.00 40.32 H new ATOM 0 HB2 LEU A 49 7.743 26.883 -3.414 1.00 35.02 H new ATOM 0 HB3 LEU A 49 7.568 26.339 -5.071 1.00 35.02 H new ATOM 0 HG LEU A 49 8.232 24.027 -3.608 1.00 73.31 H new ATOM 0 HD11 LEU A 49 6.492 23.976 -1.864 1.00 61.52 H new ATOM 0 HD12 LEU A 49 7.719 25.222 -1.536 1.00 61.52 H new ATOM 0 HD13 LEU A 49 6.128 25.688 -2.183 1.00 61.52 H new ATOM 0 HD21 LEU A 49 5.932 23.355 -4.184 1.00 53.44 H new ATOM 0 HD22 LEU A 49 5.546 25.043 -4.595 1.00 53.44 H new ATOM 0 HD23 LEU A 49 6.750 24.147 -5.551 1.00 53.44 H new ATOM 718 N ALA A 50 9.891 26.363 -6.675 1.00 1.02 N ATOM 719 CA ALA A 50 10.239 25.919 -8.019 1.00 11.11 C ATOM 720 C ALA A 50 11.686 25.444 -8.083 1.00 25.33 C ATOM 721 O ALA A 50 11.966 24.331 -8.530 1.00 61.25 O ATOM 722 CB ALA A 50 10.004 27.039 -9.022 1.00 25.02 C ATOM 0 H ALA A 50 9.621 27.345 -6.612 1.00 1.02 H new ATOM 0 HA ALA A 50 9.596 25.076 -8.274 1.00 11.11 H new ATOM 0 HB1 ALA A 50 10.268 26.694 -10.022 1.00 25.02 H new ATOM 0 HB2 ALA A 50 8.953 27.329 -9.004 1.00 25.02 H new ATOM 0 HB3 ALA A 50 10.622 27.898 -8.760 1.00 25.02 H new ATOM 728 N LEU A 51 12.603 26.293 -7.633 1.00 45.22 N ATOM 729 CA LEU A 51 14.024 25.960 -7.640 1.00 33.03 C ATOM 730 C LEU A 51 14.313 24.790 -6.705 1.00 72.31 C ATOM 731 O LEU A 51 14.959 23.817 -7.094 1.00 61.22 O ATOM 732 CB LEU A 51 14.855 27.176 -7.226 1.00 32.44 C ATOM 733 CG LEU A 51 14.444 28.512 -7.845 1.00 11.05 C ATOM 734 CD1 LEU A 51 14.048 29.503 -6.761 1.00 34.21 C ATOM 735 CD2 LEU A 51 15.572 29.074 -8.697 1.00 41.31 C ATOM 0 H LEU A 51 12.389 27.217 -7.259 1.00 45.22 H new ATOM 0 HA LEU A 51 14.299 25.668 -8.654 1.00 33.03 H new ATOM 0 HB2 LEU A 51 14.807 27.271 -6.141 1.00 32.44 H new ATOM 0 HB3 LEU A 51 15.897 26.984 -7.484 1.00 32.44 H new ATOM 0 HG LEU A 51 13.580 28.343 -8.487 1.00 11.05 H new ATOM 0 HD11 LEU A 51 13.759 30.448 -7.220 1.00 34.21 H new ATOM 0 HD12 LEU A 51 13.208 29.104 -6.192 1.00 34.21 H new ATOM 0 HD13 LEU A 51 14.893 29.668 -6.093 1.00 34.21 H new ATOM 0 HD21 LEU A 51 15.262 30.025 -9.130 1.00 41.31 H new ATOM 0 HD22 LEU A 51 16.455 29.228 -8.076 1.00 41.31 H new ATOM 0 HD23 LEU A 51 15.809 28.372 -9.496 1.00 41.31 H new ATOM 747 N ARG A 52 13.828 24.890 -5.472 1.00 11.32 N ATOM 748 CA ARG A 52 14.033 23.840 -4.482 1.00 64.20 C ATOM 749 C ARG A 52 13.504 22.502 -4.991 1.00 40.20 C ATOM 750 O ARG A 52 14.227 21.506 -5.021 1.00 24.02 O ATOM 751 CB ARG A 52 13.343 24.207 -3.167 1.00 61.40 C ATOM 752 CG ARG A 52 13.776 23.346 -1.991 1.00 43.32 C ATOM 753 CD ARG A 52 12.631 23.114 -1.019 1.00 15.54 C ATOM 754 NE ARG A 52 12.637 24.082 0.075 1.00 13.31 N ATOM 755 CZ ARG A 52 11.646 24.208 0.951 1.00 72.02 C ATOM 756 NH1 ARG A 52 10.575 23.431 0.862 1.00 64.23 N ATOM 757 NH2 ARG A 52 11.725 25.112 1.919 1.00 52.33 N ATOM 0 H ARG A 52 13.290 25.688 -5.135 1.00 11.32 H new ATOM 0 HA ARG A 52 15.105 23.745 -4.307 1.00 64.20 H new ATOM 0 HB2 ARG A 52 13.550 25.252 -2.937 1.00 61.40 H new ATOM 0 HB3 ARG A 52 12.264 24.117 -3.295 1.00 61.40 H new ATOM 0 HG2 ARG A 52 14.144 22.387 -2.357 1.00 43.32 H new ATOM 0 HG3 ARG A 52 14.604 23.828 -1.471 1.00 43.32 H new ATOM 0 HD2 ARG A 52 11.683 23.177 -1.554 1.00 15.54 H new ATOM 0 HD3 ARG A 52 12.700 22.106 -0.611 1.00 15.54 H new ATOM 0 HE ARG A 52 13.447 24.695 0.172 1.00 13.31 H new ATOM 0 HH11 ARG A 52 10.511 22.734 0.120 1.00 64.23 H new ATOM 0 HH12 ARG A 52 9.816 23.530 1.536 1.00 64.23 H new ATOM 0 HH21 ARG A 52 12.547 25.711 1.991 1.00 52.33 H new ATOM 0 HH22 ARG A 52 10.963 25.208 2.591 1.00 52.33 H new ATOM 771 N THR A 53 12.236 22.487 -5.391 1.00 21.34 N ATOM 772 CA THR A 53 11.609 21.272 -5.897 1.00 0.35 C ATOM 773 C THR A 53 12.284 20.798 -7.178 1.00 61.13 C ATOM 774 O THR A 53 12.405 19.596 -7.421 1.00 13.24 O ATOM 775 CB THR A 53 10.108 21.487 -6.169 1.00 62.32 C ATOM 776 OG1 THR A 53 9.447 21.905 -4.970 1.00 22.43 O ATOM 777 CG2 THR A 53 9.465 20.210 -6.690 1.00 42.33 C ATOM 0 H THR A 53 11.623 23.302 -5.374 1.00 21.34 H new ATOM 0 HA THR A 53 11.725 20.511 -5.126 1.00 0.35 H new ATOM 0 HB THR A 53 10.006 22.263 -6.928 1.00 62.32 H new ATOM 0 HG1 THR A 53 9.516 22.878 -4.881 1.00 22.43 H new ATOM 0 HG21 THR A 53 8.405 20.386 -6.875 1.00 42.33 H new ATOM 0 HG22 THR A 53 9.951 19.911 -7.619 1.00 42.33 H new ATOM 0 HG23 THR A 53 9.578 19.418 -5.950 1.00 42.33 H new ATOM 785 N LEU A 54 12.724 21.748 -7.996 1.00 75.24 N ATOM 786 CA LEU A 54 13.388 21.427 -9.255 1.00 22.43 C ATOM 787 C LEU A 54 14.529 20.439 -9.031 1.00 73.34 C ATOM 788 O LEU A 54 14.693 19.482 -9.789 1.00 74.52 O ATOM 789 CB LEU A 54 13.923 22.700 -9.911 1.00 51.54 C ATOM 790 CG LEU A 54 13.080 23.272 -11.052 1.00 43.12 C ATOM 791 CD1 LEU A 54 13.702 24.554 -11.584 1.00 54.21 C ATOM 792 CD2 LEU A 54 12.928 22.248 -12.168 1.00 1.24 C ATOM 0 H LEU A 54 12.633 22.747 -7.810 1.00 75.24 H new ATOM 0 HA LEU A 54 12.655 20.965 -9.917 1.00 22.43 H new ATOM 0 HB2 LEU A 54 14.025 23.466 -9.142 1.00 51.54 H new ATOM 0 HB3 LEU A 54 14.924 22.496 -10.292 1.00 51.54 H new ATOM 0 HG LEU A 54 12.089 23.507 -10.664 1.00 43.12 H new ATOM 0 HD11 LEU A 54 13.089 24.947 -12.395 1.00 54.21 H new ATOM 0 HD12 LEU A 54 13.759 25.291 -10.783 1.00 54.21 H new ATOM 0 HD13 LEU A 54 14.705 24.345 -11.956 1.00 54.21 H new ATOM 0 HD21 LEU A 54 12.325 22.672 -12.971 1.00 1.24 H new ATOM 0 HD22 LEU A 54 13.912 21.982 -12.554 1.00 1.24 H new ATOM 0 HD23 LEU A 54 12.438 21.356 -11.779 1.00 1.24 H new ATOM 804 N LEU A 55 15.313 20.676 -7.986 1.00 64.40 N ATOM 805 CA LEU A 55 16.438 19.805 -7.661 1.00 10.23 C ATOM 806 C LEU A 55 15.975 18.364 -7.474 1.00 31.11 C ATOM 807 O LEU A 55 16.593 17.431 -7.986 1.00 5.51 O ATOM 808 CB LEU A 55 17.138 20.296 -6.393 1.00 3.35 C ATOM 809 CG LEU A 55 18.411 21.117 -6.604 1.00 12.44 C ATOM 810 CD1 LEU A 55 18.066 22.540 -7.017 1.00 31.30 C ATOM 811 CD2 LEU A 55 19.261 21.118 -5.341 1.00 54.22 C ATOM 0 H LEU A 55 15.191 21.463 -7.349 1.00 64.40 H new ATOM 0 HA LEU A 55 17.142 19.836 -8.493 1.00 10.23 H new ATOM 0 HB2 LEU A 55 16.431 20.899 -5.822 1.00 3.35 H new ATOM 0 HB3 LEU A 55 17.386 19.429 -5.780 1.00 3.35 H new ATOM 0 HG LEU A 55 18.988 20.657 -7.406 1.00 12.44 H new ATOM 0 HD11 LEU A 55 18.984 23.109 -7.163 1.00 31.30 H new ATOM 0 HD12 LEU A 55 17.499 22.521 -7.948 1.00 31.30 H new ATOM 0 HD13 LEU A 55 17.467 23.010 -6.237 1.00 31.30 H new ATOM 0 HD21 LEU A 55 20.163 21.707 -5.510 1.00 54.22 H new ATOM 0 HD22 LEU A 55 18.692 21.553 -4.520 1.00 54.22 H new ATOM 0 HD23 LEU A 55 19.538 20.095 -5.088 1.00 54.22 H new ATOM 823 N ALA A 56 14.881 18.190 -6.739 1.00 24.22 N ATOM 824 CA ALA A 56 14.333 16.863 -6.488 1.00 72.21 C ATOM 825 C ALA A 56 13.710 16.279 -7.752 1.00 21.45 C ATOM 826 O ALA A 56 14.075 15.187 -8.189 1.00 34.52 O ATOM 827 CB ALA A 56 13.304 16.920 -5.368 1.00 64.22 C ATOM 0 H ALA A 56 14.357 18.951 -6.307 1.00 24.22 H new ATOM 0 HA ALA A 56 15.151 16.211 -6.182 1.00 72.21 H new ATOM 0 HB1 ALA A 56 12.903 15.922 -5.191 1.00 64.22 H new ATOM 0 HB2 ALA A 56 13.777 17.287 -4.457 1.00 64.22 H new ATOM 0 HB3 ALA A 56 12.494 17.591 -5.652 1.00 64.22 H new ATOM 833 N THR A 57 12.767 17.012 -8.335 1.00 3.30 N ATOM 834 CA THR A 57 12.092 16.566 -9.547 1.00 44.12 C ATOM 835 C THR A 57 13.098 16.179 -10.626 1.00 11.43 C ATOM 836 O THR A 57 13.112 15.042 -11.096 1.00 24.31 O ATOM 837 CB THR A 57 11.155 17.655 -10.102 1.00 2.51 C ATOM 838 OG1 THR A 57 11.897 18.851 -10.369 1.00 64.51 O ATOM 839 CG2 THR A 57 10.035 17.958 -9.118 1.00 73.53 C ATOM 0 H THR A 57 12.453 17.918 -7.987 1.00 3.30 H new ATOM 0 HA THR A 57 11.500 15.692 -9.275 1.00 44.12 H new ATOM 0 HB THR A 57 10.715 17.286 -11.028 1.00 2.51 H new ATOM 0 HG1 THR A 57 11.294 19.538 -10.723 1.00 64.51 H new ATOM 0 HG21 THR A 57 9.386 18.730 -9.532 1.00 73.53 H new ATOM 0 HG22 THR A 57 9.454 17.053 -8.938 1.00 73.53 H new ATOM 0 HG23 THR A 57 10.461 18.308 -8.178 1.00 73.53 H new ATOM 847 N VAL A 58 13.939 17.133 -11.014 1.00 14.02 N ATOM 848 CA VAL A 58 14.950 16.891 -12.036 1.00 55.33 C ATOM 849 C VAL A 58 15.830 15.703 -11.668 1.00 62.42 C ATOM 850 O VAL A 58 16.179 14.887 -12.522 1.00 54.12 O ATOM 851 CB VAL A 58 15.840 18.130 -12.249 1.00 23.23 C ATOM 852 CG1 VAL A 58 16.917 17.842 -13.284 1.00 51.20 C ATOM 853 CG2 VAL A 58 14.998 19.327 -12.662 1.00 53.00 C ATOM 0 H VAL A 58 13.940 18.080 -10.636 1.00 14.02 H new ATOM 0 HA VAL A 58 14.418 16.672 -12.962 1.00 55.33 H new ATOM 0 HB VAL A 58 16.331 18.369 -11.306 1.00 23.23 H new ATOM 0 HG11 VAL A 58 17.536 18.729 -13.421 1.00 51.20 H new ATOM 0 HG12 VAL A 58 17.539 17.015 -12.942 1.00 51.20 H new ATOM 0 HG13 VAL A 58 16.449 17.576 -14.232 1.00 51.20 H new ATOM 0 HG21 VAL A 58 15.644 20.193 -12.808 1.00 53.00 H new ATOM 0 HG22 VAL A 58 14.477 19.102 -13.593 1.00 53.00 H new ATOM 0 HG23 VAL A 58 14.269 19.545 -11.882 1.00 53.00 H new ATOM 863 N ASP A 59 16.186 15.610 -10.392 1.00 4.22 N ATOM 864 CA ASP A 59 17.026 14.520 -9.909 1.00 73.42 C ATOM 865 C ASP A 59 16.423 13.167 -10.276 1.00 63.03 C ATOM 866 O ASP A 59 17.146 12.200 -10.514 1.00 33.42 O ATOM 867 CB ASP A 59 17.205 14.618 -8.393 1.00 73.34 C ATOM 868 CG ASP A 59 18.472 15.355 -8.007 1.00 15.24 C ATOM 869 OD1 ASP A 59 18.991 16.122 -8.844 1.00 44.04 O ATOM 870 OD2 ASP A 59 18.943 15.166 -6.866 1.00 13.31 O ATOM 0 H ASP A 59 15.906 16.277 -9.673 1.00 4.22 H new ATOM 0 HA ASP A 59 18.001 14.606 -10.388 1.00 73.42 H new ATOM 0 HB2 ASP A 59 16.345 15.129 -7.961 1.00 73.34 H new ATOM 0 HB3 ASP A 59 17.227 13.615 -7.967 1.00 73.34 H new ATOM 875 N GLU A 60 15.096 13.108 -10.319 1.00 71.03 N ATOM 876 CA GLU A 60 14.397 11.873 -10.655 1.00 64.15 C ATOM 877 C GLU A 60 14.285 11.706 -12.168 1.00 72.11 C ATOM 878 O GLU A 60 14.089 10.598 -12.668 1.00 42.32 O ATOM 879 CB GLU A 60 13.003 11.862 -10.025 1.00 22.41 C ATOM 880 CG GLU A 60 12.995 12.263 -8.560 1.00 13.54 C ATOM 881 CD GLU A 60 12.113 11.365 -7.713 1.00 44.35 C ATOM 882 OE1 GLU A 60 12.190 10.130 -7.880 1.00 43.21 O ATOM 883 OE2 GLU A 60 11.347 11.898 -6.884 1.00 54.42 O ATOM 0 H GLU A 60 14.484 13.900 -10.126 1.00 71.03 H new ATOM 0 HA GLU A 60 14.974 11.039 -10.256 1.00 64.15 H new ATOM 0 HB2 GLU A 60 12.356 12.540 -10.582 1.00 22.41 H new ATOM 0 HB3 GLU A 60 12.577 10.863 -10.122 1.00 22.41 H new ATOM 0 HG2 GLU A 60 14.014 12.234 -8.174 1.00 13.54 H new ATOM 0 HG3 GLU A 60 12.650 13.293 -8.471 1.00 13.54 H new ATOM 890 N SER A 61 14.409 12.815 -12.891 1.00 22.52 N ATOM 891 CA SER A 61 14.317 12.793 -14.346 1.00 22.20 C ATOM 892 C SER A 61 15.570 12.176 -14.960 1.00 61.03 C ATOM 893 O SER A 61 15.537 11.656 -16.077 1.00 2.24 O ATOM 894 CB SER A 61 14.115 14.210 -14.887 1.00 32.44 C ATOM 895 OG SER A 61 13.400 14.191 -16.110 1.00 43.32 O ATOM 0 H SER A 61 14.573 13.740 -12.493 1.00 22.52 H new ATOM 0 HA SER A 61 13.459 12.181 -14.622 1.00 22.20 H new ATOM 0 HB2 SER A 61 13.573 14.809 -14.155 1.00 32.44 H new ATOM 0 HB3 SER A 61 15.083 14.688 -15.036 1.00 32.44 H new ATOM 0 HG SER A 61 13.282 15.108 -16.434 1.00 43.32 H new ATOM 901 N LEU A 62 16.674 12.237 -14.224 1.00 10.41 N ATOM 902 CA LEU A 62 17.940 11.685 -14.695 1.00 15.23 C ATOM 903 C LEU A 62 17.765 10.242 -15.158 1.00 43.51 C ATOM 904 O LEU A 62 18.001 9.905 -16.318 1.00 72.54 O ATOM 905 CB LEU A 62 18.992 11.753 -13.587 1.00 10.52 C ATOM 906 CG LEU A 62 20.143 12.734 -13.814 1.00 1.01 C ATOM 907 CD1 LEU A 62 20.759 13.150 -12.487 1.00 43.34 C ATOM 908 CD2 LEU A 62 21.196 12.118 -14.724 1.00 4.54 C ATOM 0 H LEU A 62 16.719 12.663 -13.298 1.00 10.41 H new ATOM 0 HA LEU A 62 18.276 12.282 -15.543 1.00 15.23 H new ATOM 0 HB2 LEU A 62 18.493 12.019 -12.655 1.00 10.52 H new ATOM 0 HB3 LEU A 62 19.412 10.756 -13.450 1.00 10.52 H new ATOM 0 HG LEU A 62 19.746 13.625 -14.301 1.00 1.01 H new ATOM 0 HD11 LEU A 62 21.576 13.848 -12.668 1.00 43.34 H new ATOM 0 HD12 LEU A 62 20.001 13.631 -11.869 1.00 43.34 H new ATOM 0 HD13 LEU A 62 21.142 12.269 -11.972 1.00 43.34 H new ATOM 0 HD21 LEU A 62 22.008 12.830 -14.875 1.00 4.54 H new ATOM 0 HD22 LEU A 62 21.589 11.211 -14.264 1.00 4.54 H new ATOM 0 HD23 LEU A 62 20.746 11.871 -15.686 1.00 4.54 H new ATOM 920 N PRO A 63 17.341 9.370 -14.232 1.00 12.32 N ATOM 921 CA PRO A 63 17.123 7.950 -14.523 1.00 13.24 C ATOM 922 C PRO A 63 15.918 7.723 -15.430 1.00 25.40 C ATOM 923 O PRO A 63 15.977 6.928 -16.368 1.00 71.14 O ATOM 924 CB PRO A 63 16.874 7.339 -13.141 1.00 44.32 C ATOM 925 CG PRO A 63 16.357 8.466 -12.316 1.00 52.40 C ATOM 926 CD PRO A 63 17.041 9.703 -12.829 1.00 54.42 C ATOM 0 HA PRO A 63 17.966 7.508 -15.054 1.00 13.24 H new ATOM 0 HB2 PRO A 63 16.153 6.523 -13.193 1.00 44.32 H new ATOM 0 HB3 PRO A 63 17.791 6.928 -12.719 1.00 44.32 H new ATOM 0 HG2 PRO A 63 15.274 8.552 -12.408 1.00 52.40 H new ATOM 0 HG3 PRO A 63 16.576 8.309 -11.260 1.00 52.40 H new ATOM 0 HD2 PRO A 63 16.397 10.579 -12.753 1.00 54.42 H new ATOM 0 HD3 PRO A 63 17.948 9.924 -12.266 1.00 54.42 H new ATOM 934 N VAL A 64 14.827 8.426 -15.145 1.00 31.44 N ATOM 935 CA VAL A 64 13.609 8.301 -15.936 1.00 51.22 C ATOM 936 C VAL A 64 13.893 8.515 -17.419 1.00 32.32 C ATOM 937 O VAL A 64 13.198 7.973 -18.280 1.00 22.34 O ATOM 938 CB VAL A 64 12.537 9.309 -15.480 1.00 4.14 C ATOM 939 CG1 VAL A 64 11.340 9.277 -16.417 1.00 41.32 C ATOM 940 CG2 VAL A 64 12.112 9.021 -14.048 1.00 14.32 C ATOM 0 H VAL A 64 14.762 9.088 -14.372 1.00 31.44 H new ATOM 0 HA VAL A 64 13.234 7.289 -15.782 1.00 51.22 H new ATOM 0 HB VAL A 64 12.966 10.310 -15.514 1.00 4.14 H new ATOM 0 HG11 VAL A 64 10.594 9.996 -16.078 1.00 41.32 H new ATOM 0 HG12 VAL A 64 11.661 9.535 -17.426 1.00 41.32 H new ATOM 0 HG13 VAL A 64 10.906 8.277 -16.419 1.00 41.32 H new ATOM 0 HG21 VAL A 64 11.354 9.742 -13.741 1.00 14.32 H new ATOM 0 HG22 VAL A 64 11.700 8.014 -13.986 1.00 14.32 H new ATOM 0 HG23 VAL A 64 12.976 9.101 -13.389 1.00 14.32 H new ATOM 950 N LEU A 65 14.918 9.307 -17.711 1.00 0.31 N ATOM 951 CA LEU A 65 15.295 9.593 -19.091 1.00 25.22 C ATOM 952 C LEU A 65 16.543 8.810 -19.487 1.00 44.30 C ATOM 953 O LEU A 65 17.322 8.366 -18.643 1.00 35.13 O ATOM 954 CB LEU A 65 15.540 11.092 -19.274 1.00 21.34 C ATOM 955 CG LEU A 65 14.298 11.950 -19.517 1.00 30.23 C ATOM 956 CD1 LEU A 65 13.665 11.605 -20.856 1.00 11.22 C ATOM 957 CD2 LEU A 65 13.294 11.767 -18.387 1.00 44.25 C ATOM 0 H LEU A 65 15.503 9.763 -17.011 1.00 0.31 H new ATOM 0 HA LEU A 65 14.474 9.284 -19.738 1.00 25.22 H new ATOM 0 HB2 LEU A 65 16.049 11.468 -18.386 1.00 21.34 H new ATOM 0 HB3 LEU A 65 16.221 11.229 -20.114 1.00 21.34 H new ATOM 0 HG LEU A 65 14.601 12.997 -19.541 1.00 30.23 H new ATOM 0 HD11 LEU A 65 12.782 12.225 -21.012 1.00 11.22 H new ATOM 0 HD12 LEU A 65 14.383 11.788 -21.656 1.00 11.22 H new ATOM 0 HD13 LEU A 65 13.375 10.554 -20.862 1.00 11.22 H new ATOM 0 HD21 LEU A 65 12.416 12.385 -18.576 1.00 44.25 H new ATOM 0 HD22 LEU A 65 12.996 10.720 -18.331 1.00 44.25 H new ATOM 0 HD23 LEU A 65 13.750 12.065 -17.443 1.00 44.25 H new ATOM 969 N PRO A 66 16.742 8.639 -20.802 1.00 74.54 N ATOM 970 CA PRO A 66 17.895 7.912 -21.341 1.00 23.11 C ATOM 971 C PRO A 66 19.203 8.672 -21.144 1.00 35.34 C ATOM 972 O PRO A 66 19.254 9.890 -21.306 1.00 54.42 O ATOM 973 CB PRO A 66 17.570 7.785 -22.831 1.00 63.23 C ATOM 974 CG PRO A 66 16.658 8.927 -23.119 1.00 32.33 C ATOM 975 CD PRO A 66 15.855 9.141 -21.865 1.00 60.14 C ATOM 0 HA PRO A 66 18.044 6.955 -20.840 1.00 23.11 H new ATOM 0 HB2 PRO A 66 18.473 7.837 -23.439 1.00 63.23 H new ATOM 0 HB3 PRO A 66 17.091 6.831 -23.052 1.00 63.23 H new ATOM 0 HG2 PRO A 66 17.223 9.822 -23.378 1.00 32.33 H new ATOM 0 HG3 PRO A 66 16.008 8.704 -23.965 1.00 32.33 H new ATOM 0 HD2 PRO A 66 15.609 10.193 -21.720 1.00 60.14 H new ATOM 0 HD3 PRO A 66 14.912 8.594 -21.893 1.00 60.14 H new ATOM 983 N ALA A 67 20.258 7.944 -20.793 1.00 34.33 N ATOM 984 CA ALA A 67 21.566 8.549 -20.576 1.00 14.31 C ATOM 985 C ALA A 67 22.084 9.208 -21.850 1.00 33.30 C ATOM 986 O ALA A 67 22.353 8.533 -22.844 1.00 34.23 O ATOM 987 CB ALA A 67 22.555 7.505 -20.079 1.00 53.31 C ATOM 0 H ALA A 67 20.232 6.934 -20.653 1.00 34.33 H new ATOM 0 HA ALA A 67 21.459 9.323 -19.816 1.00 14.31 H new ATOM 0 HB1 ALA A 67 23.528 7.971 -19.921 1.00 53.31 H new ATOM 0 HB2 ALA A 67 22.198 7.084 -19.139 1.00 53.31 H new ATOM 0 HB3 ALA A 67 22.649 6.711 -20.820 1.00 53.31 H new ATOM 993 N SER A 68 22.221 10.529 -21.814 1.00 53.30 N ATOM 994 CA SER A 68 22.702 11.280 -22.968 1.00 25.51 C ATOM 995 C SER A 68 22.725 12.776 -22.672 1.00 52.12 C ATOM 996 O SER A 68 23.597 13.503 -23.150 1.00 14.13 O ATOM 997 CB SER A 68 21.821 11.002 -24.187 1.00 41.23 C ATOM 998 OG SER A 68 21.004 12.120 -24.491 1.00 24.20 O ATOM 0 H SER A 68 22.006 11.102 -20.998 1.00 53.30 H new ATOM 0 HA SER A 68 23.720 10.955 -23.183 1.00 25.51 H new ATOM 0 HB2 SER A 68 22.448 10.761 -25.046 1.00 41.23 H new ATOM 0 HB3 SER A 68 21.194 10.131 -23.996 1.00 41.23 H new ATOM 0 HG SER A 68 20.452 11.918 -25.275 1.00 24.20 H new ATOM 1004 N THR A 69 21.759 13.231 -21.880 1.00 74.03 N ATOM 1005 CA THR A 69 21.665 14.640 -21.521 1.00 1.23 C ATOM 1006 C THR A 69 21.924 14.846 -20.033 1.00 4.42 C ATOM 1007 O THR A 69 21.437 15.806 -19.434 1.00 41.25 O ATOM 1008 CB THR A 69 20.282 15.220 -21.874 1.00 64.34 C ATOM 1009 OG1 THR A 69 20.251 16.622 -21.588 1.00 43.42 O ATOM 1010 CG2 THR A 69 19.184 14.513 -21.094 1.00 51.32 C ATOM 0 H THR A 69 21.030 12.643 -21.475 1.00 74.03 H new ATOM 0 HA THR A 69 22.428 15.164 -22.097 1.00 1.23 H new ATOM 0 HB THR A 69 20.108 15.064 -22.939 1.00 64.34 H new ATOM 0 HG1 THR A 69 20.297 16.759 -20.619 1.00 43.42 H new ATOM 0 HG21 THR A 69 18.217 14.939 -21.360 1.00 51.32 H new ATOM 0 HG22 THR A 69 19.191 13.450 -21.337 1.00 51.32 H new ATOM 0 HG23 THR A 69 19.356 14.642 -20.025 1.00 51.32 H new ATOM 1018 N HIS A 70 22.695 13.940 -19.440 1.00 2.11 N ATOM 1019 CA HIS A 70 23.020 14.024 -18.021 1.00 25.15 C ATOM 1020 C HIS A 70 23.724 15.340 -17.701 1.00 73.31 C ATOM 1021 O HIS A 70 23.367 16.029 -16.746 1.00 12.32 O ATOM 1022 CB HIS A 70 23.904 12.847 -17.608 1.00 23.42 C ATOM 1023 CG HIS A 70 25.091 12.647 -18.500 1.00 33.31 C ATOM 1024 ND1 HIS A 70 26.323 13.215 -18.252 1.00 75.25 N ATOM 1025 CD2 HIS A 70 25.229 11.935 -19.643 1.00 21.44 C ATOM 1026 CE1 HIS A 70 27.167 12.862 -19.205 1.00 51.34 C ATOM 1027 NE2 HIS A 70 26.528 12.085 -20.061 1.00 63.13 N ATOM 0 H HIS A 70 23.106 13.139 -19.920 1.00 2.11 H new ATOM 0 HA HIS A 70 22.088 13.984 -17.458 1.00 25.15 H new ATOM 0 HB2 HIS A 70 24.250 13.004 -16.586 1.00 23.42 H new ATOM 0 HB3 HIS A 70 23.305 11.937 -17.605 1.00 23.42 H new ATOM 0 HD2 HIS A 70 24.461 11.357 -20.134 1.00 21.44 H new ATOM 0 HE1 HIS A 70 28.203 13.158 -19.273 1.00 51.34 H new ATOM 0 HE2 HIS A 70 26.934 11.665 -20.897 1.00 63.13 H new ATOM 1035 N ARG A 71 24.725 15.681 -18.506 1.00 73.31 N ATOM 1036 CA ARG A 71 25.479 16.912 -18.308 1.00 10.53 C ATOM 1037 C ARG A 71 24.541 18.108 -18.169 1.00 20.04 C ATOM 1038 O ARG A 71 24.651 18.888 -17.223 1.00 41.14 O ATOM 1039 CB ARG A 71 26.442 17.139 -19.474 1.00 41.44 C ATOM 1040 CG ARG A 71 27.670 17.953 -19.101 1.00 3.12 C ATOM 1041 CD ARG A 71 28.514 18.281 -20.323 1.00 0.13 C ATOM 1042 NE ARG A 71 28.647 19.721 -20.525 1.00 41.34 N ATOM 1043 CZ ARG A 71 29.183 20.264 -21.613 1.00 21.10 C ATOM 1044 NH1 ARG A 71 29.633 19.490 -22.591 1.00 2.10 N ATOM 1045 NH2 ARG A 71 29.269 21.583 -21.724 1.00 41.41 N ATOM 0 H ARG A 71 25.032 15.122 -19.302 1.00 73.31 H new ATOM 0 HA ARG A 71 26.052 16.812 -17.386 1.00 10.53 H new ATOM 0 HB2 ARG A 71 26.762 16.172 -19.863 1.00 41.44 H new ATOM 0 HB3 ARG A 71 25.911 17.647 -20.279 1.00 41.44 H new ATOM 0 HG2 ARG A 71 27.361 18.877 -18.613 1.00 3.12 H new ATOM 0 HG3 ARG A 71 28.271 17.398 -18.381 1.00 3.12 H new ATOM 0 HD2 ARG A 71 29.503 17.838 -20.210 1.00 0.13 H new ATOM 0 HD3 ARG A 71 28.062 17.831 -21.207 1.00 0.13 H new ATOM 0 HE ARG A 71 28.310 20.344 -19.791 1.00 41.34 H new ATOM 0 HH11 ARG A 71 29.568 18.475 -22.509 1.00 2.10 H new ATOM 0 HH12 ARG A 71 30.044 19.909 -23.425 1.00 2.10 H new ATOM 0 HH21 ARG A 71 28.924 22.182 -20.974 1.00 41.41 H new ATOM 0 HH22 ARG A 71 29.681 21.999 -22.560 1.00 41.41 H new ATOM 1059 N GLU A 72 23.620 18.244 -19.117 1.00 53.42 N ATOM 1060 CA GLU A 72 22.664 19.346 -19.100 1.00 61.33 C ATOM 1061 C GLU A 72 21.849 19.339 -17.810 1.00 42.11 C ATOM 1062 O GLU A 72 21.561 20.392 -17.241 1.00 15.12 O ATOM 1063 CB GLU A 72 21.728 19.257 -20.308 1.00 24.12 C ATOM 1064 CG GLU A 72 22.276 19.934 -21.553 1.00 71.00 C ATOM 1065 CD GLU A 72 21.204 20.198 -22.593 1.00 20.43 C ATOM 1066 OE1 GLU A 72 20.319 21.040 -22.333 1.00 64.24 O ATOM 1067 OE2 GLU A 72 21.251 19.561 -23.666 1.00 55.13 O ATOM 0 H GLU A 72 23.515 17.606 -19.906 1.00 53.42 H new ATOM 0 HA GLU A 72 23.224 20.280 -19.151 1.00 61.33 H new ATOM 0 HB2 GLU A 72 21.534 18.208 -20.531 1.00 24.12 H new ATOM 0 HB3 GLU A 72 20.771 19.710 -20.050 1.00 24.12 H new ATOM 0 HG2 GLU A 72 22.745 20.877 -21.273 1.00 71.00 H new ATOM 0 HG3 GLU A 72 23.054 19.308 -21.990 1.00 71.00 H new ATOM 1074 N ILE A 73 21.482 18.146 -17.356 1.00 34.14 N ATOM 1075 CA ILE A 73 20.701 18.002 -16.133 1.00 51.02 C ATOM 1076 C ILE A 73 21.487 18.485 -14.919 1.00 32.21 C ATOM 1077 O ILE A 73 21.030 19.355 -14.178 1.00 21.40 O ATOM 1078 CB ILE A 73 20.275 16.540 -15.906 1.00 75.43 C ATOM 1079 CG1 ILE A 73 19.432 16.043 -17.083 1.00 33.12 C ATOM 1080 CG2 ILE A 73 19.502 16.409 -14.602 1.00 42.31 C ATOM 1081 CD1 ILE A 73 19.486 14.543 -17.275 1.00 4.52 C ATOM 0 H ILE A 73 21.712 17.265 -17.816 1.00 34.14 H new ATOM 0 HA ILE A 73 19.809 18.617 -16.254 1.00 51.02 H new ATOM 0 HB ILE A 73 21.171 15.923 -15.838 1.00 75.43 H new ATOM 0 HG12 ILE A 73 18.396 16.344 -16.930 1.00 33.12 H new ATOM 0 HG13 ILE A 73 19.774 16.530 -17.996 1.00 33.12 H new ATOM 0 HG21 ILE A 73 19.208 15.370 -14.456 1.00 42.31 H new ATOM 0 HG22 ILE A 73 20.132 16.728 -13.772 1.00 42.31 H new ATOM 0 HG23 ILE A 73 18.611 17.036 -14.643 1.00 42.31 H new ATOM 0 HD11 ILE A 73 18.866 14.263 -18.126 1.00 4.52 H new ATOM 0 HD12 ILE A 73 20.516 14.237 -17.460 1.00 4.52 H new ATOM 0 HD13 ILE A 73 19.116 14.048 -16.377 1.00 4.52 H new ATOM 1093 N GLU A 74 22.672 17.915 -14.723 1.00 11.11 N ATOM 1094 CA GLU A 74 23.522 18.289 -13.599 1.00 32.24 C ATOM 1095 C GLU A 74 23.895 19.767 -13.667 1.00 25.33 C ATOM 1096 O GLU A 74 23.867 20.472 -12.659 1.00 15.04 O ATOM 1097 CB GLU A 74 24.789 17.431 -13.581 1.00 40.34 C ATOM 1098 CG GLU A 74 25.595 17.510 -14.867 1.00 75.13 C ATOM 1099 CD GLU A 74 26.785 16.571 -14.868 1.00 61.23 C ATOM 1100 OE1 GLU A 74 26.626 15.410 -15.300 1.00 14.02 O ATOM 1101 OE2 GLU A 74 27.877 16.998 -14.437 1.00 71.42 O ATOM 0 H GLU A 74 23.065 17.193 -15.327 1.00 11.11 H new ATOM 0 HA GLU A 74 22.962 18.116 -12.680 1.00 32.24 H new ATOM 0 HB2 GLU A 74 25.418 17.744 -12.748 1.00 40.34 H new ATOM 0 HB3 GLU A 74 24.512 16.393 -13.399 1.00 40.34 H new ATOM 0 HG2 GLU A 74 24.949 17.272 -15.712 1.00 75.13 H new ATOM 0 HG3 GLU A 74 25.944 18.533 -15.011 1.00 75.13 H new ATOM 1108 N MET A 75 24.247 20.228 -14.863 1.00 33.33 N ATOM 1109 CA MET A 75 24.626 21.622 -15.063 1.00 34.41 C ATOM 1110 C MET A 75 23.466 22.554 -14.726 1.00 62.13 C ATOM 1111 O MET A 75 23.668 23.736 -14.451 1.00 41.34 O ATOM 1112 CB MET A 75 25.074 21.848 -16.508 1.00 23.11 C ATOM 1113 CG MET A 75 26.458 21.295 -16.808 1.00 43.41 C ATOM 1114 SD MET A 75 27.648 22.587 -17.217 1.00 1.10 S ATOM 1115 CE MET A 75 26.946 23.225 -18.736 1.00 43.23 C ATOM 0 H MET A 75 24.278 19.657 -15.708 1.00 33.33 H new ATOM 0 HA MET A 75 25.456 21.847 -14.393 1.00 34.41 H new ATOM 0 HB2 MET A 75 24.353 21.384 -17.180 1.00 23.11 H new ATOM 0 HB3 MET A 75 25.065 22.917 -16.720 1.00 23.11 H new ATOM 0 HG2 MET A 75 26.817 20.736 -15.944 1.00 43.41 H new ATOM 0 HG3 MET A 75 26.392 20.591 -17.638 1.00 43.41 H new ATOM 0 HE1 MET A 75 27.729 23.699 -19.328 1.00 43.23 H new ATOM 0 HE2 MET A 75 26.506 22.406 -19.305 1.00 43.23 H new ATOM 0 HE3 MET A 75 26.175 23.959 -18.501 1.00 43.23 H new ATOM 1125 N ALA A 76 22.252 22.014 -14.750 1.00 61.33 N ATOM 1126 CA ALA A 76 21.061 22.797 -14.446 1.00 3.21 C ATOM 1127 C ALA A 76 20.942 23.056 -12.948 1.00 23.32 C ATOM 1128 O ALA A 76 20.733 24.190 -12.520 1.00 14.40 O ATOM 1129 CB ALA A 76 19.817 22.089 -14.962 1.00 24.33 C ATOM 0 H ALA A 76 22.068 21.037 -14.977 1.00 61.33 H new ATOM 0 HA ALA A 76 21.152 23.760 -14.949 1.00 3.21 H new ATOM 0 HB1 ALA A 76 18.935 22.686 -14.728 1.00 24.33 H new ATOM 0 HB2 ALA A 76 19.892 21.962 -16.042 1.00 24.33 H new ATOM 0 HB3 ALA A 76 19.731 21.112 -14.487 1.00 24.33 H new ATOM 1135 N GLN A 77 21.077 21.996 -12.157 1.00 12.33 N ATOM 1136 CA GLN A 77 20.983 22.110 -10.706 1.00 74.10 C ATOM 1137 C GLN A 77 21.955 23.160 -10.178 1.00 32.30 C ATOM 1138 O GLN A 77 21.551 24.123 -9.526 1.00 43.23 O ATOM 1139 CB GLN A 77 21.266 20.758 -10.048 1.00 10.40 C ATOM 1140 CG GLN A 77 20.117 19.770 -10.169 1.00 65.14 C ATOM 1141 CD GLN A 77 20.580 18.385 -10.576 1.00 62.24 C ATOM 1142 OE1 GLN A 77 20.066 17.802 -11.531 1.00 62.44 O ATOM 1143 NE2 GLN A 77 21.556 17.850 -9.852 1.00 63.12 N ATOM 0 H GLN A 77 21.252 21.050 -12.496 1.00 12.33 H new ATOM 0 HA GLN A 77 19.969 22.423 -10.456 1.00 74.10 H new ATOM 0 HB2 GLN A 77 22.157 20.323 -10.500 1.00 10.40 H new ATOM 0 HB3 GLN A 77 21.488 20.916 -8.993 1.00 10.40 H new ATOM 0 HG2 GLN A 77 19.594 19.708 -9.215 1.00 65.14 H new ATOM 0 HG3 GLN A 77 19.400 20.140 -10.902 1.00 65.14 H new ATOM 0 HE21 GLN A 77 21.953 18.369 -9.069 1.00 63.12 H new ATOM 0 HE22 GLN A 77 21.909 16.920 -10.079 1.00 63.12 H new ATOM 1152 N LYS A 78 23.238 22.967 -10.463 1.00 22.21 N ATOM 1153 CA LYS A 78 24.269 23.897 -10.018 1.00 63.30 C ATOM 1154 C LYS A 78 23.937 25.323 -10.445 1.00 34.14 C ATOM 1155 O LYS A 78 24.073 26.264 -9.662 1.00 22.14 O ATOM 1156 CB LYS A 78 25.632 23.489 -10.584 1.00 35.44 C ATOM 1157 CG LYS A 78 26.253 22.299 -9.873 1.00 62.44 C ATOM 1158 CD LYS A 78 27.275 21.596 -10.752 1.00 12.20 C ATOM 1159 CE LYS A 78 28.664 21.640 -10.135 1.00 64.30 C ATOM 1160 NZ LYS A 78 29.253 23.006 -10.190 1.00 41.50 N ATOM 0 H LYS A 78 23.589 22.174 -11.001 1.00 22.21 H new ATOM 0 HA LYS A 78 24.309 23.862 -8.929 1.00 63.30 H new ATOM 0 HB2 LYS A 78 25.521 23.252 -11.642 1.00 35.44 H new ATOM 0 HB3 LYS A 78 26.313 24.338 -10.517 1.00 35.44 H new ATOM 0 HG2 LYS A 78 26.732 22.633 -8.952 1.00 62.44 H new ATOM 0 HG3 LYS A 78 25.471 21.595 -9.588 1.00 62.44 H new ATOM 0 HD2 LYS A 78 26.975 20.559 -10.902 1.00 12.20 H new ATOM 0 HD3 LYS A 78 27.297 22.067 -11.735 1.00 12.20 H new ATOM 0 HE2 LYS A 78 28.611 21.309 -9.098 1.00 64.30 H new ATOM 0 HE3 LYS A 78 29.316 20.942 -10.659 1.00 64.30 H new ATOM 0 HZ1 LYS A 78 30.200 22.993 -9.760 1.00 41.50 H new ATOM 0 HZ2 LYS A 78 29.327 23.312 -11.181 1.00 41.50 H new ATOM 0 HZ3 LYS A 78 28.644 23.668 -9.668 1.00 41.50 H new ATOM 1174 N LEU A 79 23.498 25.476 -11.689 1.00 42.12 N ATOM 1175 CA LEU A 79 23.144 26.788 -12.220 1.00 11.14 C ATOM 1176 C LEU A 79 22.019 27.419 -11.405 1.00 73.25 C ATOM 1177 O LEU A 79 22.118 28.569 -10.976 1.00 23.25 O ATOM 1178 CB LEU A 79 22.724 26.671 -13.686 1.00 22.11 C ATOM 1179 CG LEU A 79 22.502 27.989 -14.428 1.00 15.33 C ATOM 1180 CD1 LEU A 79 23.647 28.260 -15.391 1.00 31.11 C ATOM 1181 CD2 LEU A 79 21.173 27.966 -15.169 1.00 51.32 C ATOM 0 H LEU A 79 23.378 24.708 -12.349 1.00 42.12 H new ATOM 0 HA LEU A 79 24.022 27.430 -12.151 1.00 11.14 H new ATOM 0 HB2 LEU A 79 23.487 26.102 -14.217 1.00 22.11 H new ATOM 0 HB3 LEU A 79 21.803 26.091 -13.734 1.00 22.11 H new ATOM 0 HG LEU A 79 22.473 28.796 -13.695 1.00 15.33 H new ATOM 0 HD11 LEU A 79 23.471 29.202 -15.910 1.00 31.11 H new ATOM 0 HD12 LEU A 79 24.583 28.321 -14.836 1.00 31.11 H new ATOM 0 HD13 LEU A 79 23.709 27.451 -16.119 1.00 31.11 H new ATOM 0 HD21 LEU A 79 21.031 28.912 -15.692 1.00 51.32 H new ATOM 0 HD22 LEU A 79 21.173 27.149 -15.891 1.00 51.32 H new ATOM 0 HD23 LEU A 79 20.361 27.820 -14.456 1.00 51.32 H new ATOM 1193 N LEU A 80 20.950 26.659 -11.196 1.00 33.35 N ATOM 1194 CA LEU A 80 19.806 27.142 -10.430 1.00 54.04 C ATOM 1195 C LEU A 80 20.242 27.650 -9.060 1.00 43.10 C ATOM 1196 O LEU A 80 19.773 28.687 -8.593 1.00 44.35 O ATOM 1197 CB LEU A 80 18.769 26.029 -10.268 1.00 11.03 C ATOM 1198 CG LEU A 80 17.819 25.818 -11.448 1.00 4.54 C ATOM 1199 CD1 LEU A 80 17.468 24.346 -11.594 1.00 1.11 C ATOM 1200 CD2 LEU A 80 16.560 26.655 -11.274 1.00 72.43 C ATOM 0 H LEU A 80 20.851 25.706 -11.546 1.00 33.35 H new ATOM 0 HA LEU A 80 19.358 27.971 -10.978 1.00 54.04 H new ATOM 0 HB2 LEU A 80 19.296 25.094 -10.080 1.00 11.03 H new ATOM 0 HB3 LEU A 80 18.172 26.242 -9.381 1.00 11.03 H new ATOM 0 HG LEU A 80 18.323 26.141 -12.359 1.00 4.54 H new ATOM 0 HD11 LEU A 80 16.791 24.215 -12.438 1.00 1.11 H new ATOM 0 HD12 LEU A 80 18.378 23.770 -11.765 1.00 1.11 H new ATOM 0 HD13 LEU A 80 16.983 23.995 -10.683 1.00 1.11 H new ATOM 0 HD21 LEU A 80 15.895 26.493 -12.122 1.00 72.43 H new ATOM 0 HD22 LEU A 80 16.053 26.363 -10.355 1.00 72.43 H new ATOM 0 HD23 LEU A 80 16.829 27.710 -11.220 1.00 72.43 H new ATOM 1212 N ASN A 81 21.145 26.913 -8.421 1.00 71.34 N ATOM 1213 CA ASN A 81 21.647 27.290 -7.105 1.00 33.52 C ATOM 1214 C ASN A 81 22.161 28.726 -7.109 1.00 63.25 C ATOM 1215 O ASN A 81 21.711 29.560 -6.324 1.00 61.12 O ATOM 1216 CB ASN A 81 22.763 26.337 -6.670 1.00 15.54 C ATOM 1217 CG ASN A 81 22.288 24.901 -6.563 1.00 1.00 C ATOM 1218 OD1 ASN A 81 22.922 23.986 -7.089 1.00 34.32 O ATOM 1219 ND2 ASN A 81 21.168 24.697 -5.880 1.00 14.40 N ATOM 0 H ASN A 81 21.544 26.051 -8.793 1.00 71.34 H new ATOM 0 HA ASN A 81 20.822 27.221 -6.396 1.00 33.52 H new ATOM 0 HB2 ASN A 81 23.584 26.393 -7.385 1.00 15.54 H new ATOM 0 HB3 ASN A 81 23.157 26.659 -5.706 1.00 15.54 H new ATOM 0 HD21 ASN A 81 20.800 23.752 -5.774 1.00 14.40 H new ATOM 0 HD22 ASN A 81 20.675 25.486 -5.461 1.00 14.40 H new ATOM 1226 N SER A 82 23.107 29.007 -8.000 1.00 61.21 N ATOM 1227 CA SER A 82 23.686 30.341 -8.105 1.00 53.24 C ATOM 1228 C SER A 82 22.594 31.396 -8.258 1.00 42.14 C ATOM 1229 O SER A 82 22.525 32.350 -7.484 1.00 0.52 O ATOM 1230 CB SER A 82 24.648 30.411 -9.293 1.00 31.41 C ATOM 1231 OG SER A 82 25.974 30.663 -8.861 1.00 33.01 O ATOM 0 H SER A 82 23.488 28.329 -8.659 1.00 61.21 H new ATOM 0 HA SER A 82 24.238 30.544 -7.187 1.00 53.24 H new ATOM 0 HB2 SER A 82 24.615 29.473 -9.848 1.00 31.41 H new ATOM 0 HB3 SER A 82 24.329 31.197 -9.977 1.00 31.41 H new ATOM 0 HG SER A 82 26.570 30.701 -9.638 1.00 33.01 H new ATOM 1237 N ASP A 83 21.744 31.217 -9.263 1.00 34.52 N ATOM 1238 CA ASP A 83 20.654 32.151 -9.518 1.00 51.43 C ATOM 1239 C ASP A 83 19.781 32.320 -8.279 1.00 1.53 C ATOM 1240 O ASP A 83 19.292 33.415 -7.995 1.00 61.10 O ATOM 1241 CB ASP A 83 19.804 31.668 -10.694 1.00 35.41 C ATOM 1242 CG ASP A 83 20.639 31.339 -11.916 1.00 35.42 C ATOM 1243 OD1 ASP A 83 21.775 31.847 -12.012 1.00 43.04 O ATOM 1244 OD2 ASP A 83 20.156 30.572 -12.775 1.00 14.10 O ATOM 0 H ASP A 83 21.789 30.433 -9.914 1.00 34.52 H new ATOM 0 HA ASP A 83 21.089 33.119 -9.768 1.00 51.43 H new ATOM 0 HB2 ASP A 83 19.242 30.784 -10.393 1.00 35.41 H new ATOM 0 HB3 ASP A 83 19.075 32.437 -10.952 1.00 35.41 H new ATOM 1249 N LEU A 84 19.588 31.231 -7.544 1.00 65.40 N ATOM 1250 CA LEU A 84 18.773 31.257 -6.335 1.00 3.45 C ATOM 1251 C LEU A 84 19.226 32.373 -5.397 1.00 71.44 C ATOM 1252 O LEU A 84 18.504 33.345 -5.180 1.00 42.43 O ATOM 1253 CB LEU A 84 18.848 29.909 -5.615 1.00 43.53 C ATOM 1254 CG LEU A 84 17.738 29.626 -4.603 1.00 51.10 C ATOM 1255 CD1 LEU A 84 16.859 28.481 -5.082 1.00 31.05 C ATOM 1256 CD2 LEU A 84 18.329 29.312 -3.237 1.00 23.24 C ATOM 0 H LEU A 84 19.985 30.318 -7.764 1.00 65.40 H new ATOM 0 HA LEU A 84 17.740 31.449 -6.627 1.00 3.45 H new ATOM 0 HB2 LEU A 84 18.839 29.118 -6.365 1.00 43.53 H new ATOM 0 HB3 LEU A 84 19.806 29.848 -5.099 1.00 43.53 H new ATOM 0 HG LEU A 84 17.119 30.519 -4.512 1.00 51.10 H new ATOM 0 HD11 LEU A 84 16.074 28.293 -4.349 1.00 31.05 H new ATOM 0 HD12 LEU A 84 16.407 28.745 -6.038 1.00 31.05 H new ATOM 0 HD13 LEU A 84 17.465 27.583 -5.203 1.00 31.05 H new ATOM 0 HD21 LEU A 84 17.524 29.113 -2.529 1.00 23.24 H new ATOM 0 HD22 LEU A 84 18.972 28.435 -3.312 1.00 23.24 H new ATOM 0 HD23 LEU A 84 18.915 30.163 -2.890 1.00 23.24 H new ATOM 1268 N ALA A 85 20.426 32.225 -4.847 1.00 23.24 N ATOM 1269 CA ALA A 85 20.977 33.221 -3.936 1.00 40.35 C ATOM 1270 C ALA A 85 20.905 34.618 -4.543 1.00 54.52 C ATOM 1271 O ALA A 85 20.636 35.595 -3.844 1.00 61.21 O ATOM 1272 CB ALA A 85 22.414 32.873 -3.579 1.00 64.34 C ATOM 0 H ALA A 85 21.036 31.425 -5.016 1.00 23.24 H new ATOM 0 HA ALA A 85 20.377 33.216 -3.026 1.00 40.35 H new ATOM 0 HB1 ALA A 85 22.812 33.625 -2.898 1.00 64.34 H new ATOM 0 HB2 ALA A 85 22.443 31.896 -3.097 1.00 64.34 H new ATOM 0 HB3 ALA A 85 23.018 32.848 -4.486 1.00 64.34 H new ATOM 1278 N GLU A 86 21.147 34.706 -5.847 1.00 74.44 N ATOM 1279 CA GLU A 86 21.110 35.985 -6.547 1.00 31.33 C ATOM 1280 C GLU A 86 19.734 36.633 -6.424 1.00 32.32 C ATOM 1281 O GLU A 86 19.620 37.835 -6.183 1.00 5.25 O ATOM 1282 CB GLU A 86 21.466 35.795 -8.023 1.00 24.25 C ATOM 1283 CG GLU A 86 22.602 36.688 -8.494 1.00 73.22 C ATOM 1284 CD GLU A 86 22.175 37.642 -9.593 1.00 64.33 C ATOM 1285 OE1 GLU A 86 21.387 37.226 -10.468 1.00 11.04 O ATOM 1286 OE2 GLU A 86 22.631 38.805 -9.578 1.00 71.52 O ATOM 0 H GLU A 86 21.371 33.907 -6.440 1.00 74.44 H new ATOM 0 HA GLU A 86 21.846 36.644 -6.085 1.00 31.33 H new ATOM 0 HB2 GLU A 86 21.740 34.753 -8.191 1.00 24.25 H new ATOM 0 HB3 GLU A 86 20.583 35.994 -8.630 1.00 24.25 H new ATOM 0 HG2 GLU A 86 22.984 37.261 -7.649 1.00 73.22 H new ATOM 0 HG3 GLU A 86 23.422 36.067 -8.855 1.00 73.22 H new ATOM 1293 N LEU A 87 18.690 35.828 -6.592 1.00 65.21 N ATOM 1294 CA LEU A 87 17.321 36.321 -6.501 1.00 12.51 C ATOM 1295 C LEU A 87 16.925 36.565 -5.048 1.00 44.10 C ATOM 1296 O LEU A 87 16.477 37.655 -4.691 1.00 75.21 O ATOM 1297 CB LEU A 87 16.355 35.325 -7.144 1.00 73.10 C ATOM 1298 CG LEU A 87 16.728 34.837 -8.544 1.00 74.13 C ATOM 1299 CD1 LEU A 87 16.456 33.347 -8.680 1.00 72.22 C ATOM 1300 CD2 LEU A 87 15.964 35.619 -9.603 1.00 35.02 C ATOM 0 H LEU A 87 18.766 34.831 -6.792 1.00 65.21 H new ATOM 0 HA LEU A 87 17.266 37.268 -7.037 1.00 12.51 H new ATOM 0 HB2 LEU A 87 16.270 34.458 -6.489 1.00 73.10 H new ATOM 0 HB3 LEU A 87 15.368 35.786 -7.192 1.00 73.10 H new ATOM 0 HG LEU A 87 17.794 35.006 -8.695 1.00 74.13 H new ATOM 0 HD11 LEU A 87 16.728 33.018 -9.683 1.00 72.22 H new ATOM 0 HD12 LEU A 87 17.048 32.801 -7.946 1.00 72.22 H new ATOM 0 HD13 LEU A 87 15.397 33.153 -8.509 1.00 72.22 H new ATOM 0 HD21 LEU A 87 16.242 35.258 -10.593 1.00 35.02 H new ATOM 0 HD22 LEU A 87 14.893 35.482 -9.454 1.00 35.02 H new ATOM 0 HD23 LEU A 87 16.209 36.678 -9.521 1.00 35.02 H new ATOM 1312 N ILE A 88 17.097 35.545 -4.214 1.00 61.35 N ATOM 1313 CA ILE A 88 16.761 35.650 -2.800 1.00 23.40 C ATOM 1314 C ILE A 88 17.439 36.857 -2.162 1.00 41.51 C ATOM 1315 O ILE A 88 16.814 37.611 -1.417 1.00 41.25 O ATOM 1316 CB ILE A 88 17.168 34.380 -2.029 1.00 45.00 C ATOM 1317 CG1 ILE A 88 16.512 33.146 -2.652 1.00 14.34 C ATOM 1318 CG2 ILE A 88 16.787 34.506 -0.562 1.00 1.33 C ATOM 1319 CD1 ILE A 88 15.003 33.147 -2.547 1.00 14.35 C ATOM 0 H ILE A 88 17.467 34.637 -4.493 1.00 61.35 H new ATOM 0 HA ILE A 88 15.679 35.771 -2.741 1.00 23.40 H new ATOM 0 HB ILE A 88 18.250 34.264 -2.094 1.00 45.00 H new ATOM 0 HG12 ILE A 88 16.795 33.085 -3.703 1.00 14.34 H new ATOM 0 HG13 ILE A 88 16.902 32.252 -2.165 1.00 14.34 H new ATOM 0 HG21 ILE A 88 17.081 33.601 -0.031 1.00 1.33 H new ATOM 0 HG22 ILE A 88 17.297 35.365 -0.126 1.00 1.33 H new ATOM 0 HG23 ILE A 88 15.709 34.643 -0.477 1.00 1.33 H new ATOM 0 HD11 ILE A 88 14.606 32.243 -3.009 1.00 14.35 H new ATOM 0 HD12 ILE A 88 14.711 33.176 -1.497 1.00 14.35 H new ATOM 0 HD13 ILE A 88 14.603 34.022 -3.059 1.00 14.35 H new ATOM 1331 N ASN A 89 18.722 37.036 -2.461 1.00 72.24 N ATOM 1332 CA ASN A 89 19.485 38.154 -1.918 1.00 61.52 C ATOM 1333 C ASN A 89 18.857 39.486 -2.316 1.00 71.31 C ATOM 1334 O ASN A 89 18.347 40.222 -1.471 1.00 73.41 O ATOM 1335 CB ASN A 89 20.934 38.094 -2.406 1.00 71.14 C ATOM 1336 CG ASN A 89 21.736 39.311 -1.987 1.00 72.20 C ATOM 1337 OD1 ASN A 89 21.689 39.730 -0.831 1.00 1.44 O ATOM 1338 ND2 ASN A 89 22.477 39.884 -2.928 1.00 60.21 N ATOM 0 H ASN A 89 19.255 36.421 -3.076 1.00 72.24 H new ATOM 0 HA ASN A 89 19.471 38.077 -0.831 1.00 61.52 H new ATOM 0 HB2 ASN A 89 21.410 37.196 -2.013 1.00 71.14 H new ATOM 0 HB3 ASN A 89 20.945 38.011 -3.493 1.00 71.14 H new ATOM 0 HD21 ASN A 89 23.038 40.706 -2.705 1.00 60.21 H new ATOM 0 HD22 ASN A 89 22.485 39.502 -3.874 1.00 60.21 H new ATOM 1345 N LYS A 90 18.897 39.790 -3.609 1.00 22.21 N ATOM 1346 CA LYS A 90 18.331 41.032 -4.121 1.00 71.23 C ATOM 1347 C LYS A 90 16.900 41.222 -3.628 1.00 60.40 C ATOM 1348 O LYS A 90 16.472 42.342 -3.353 1.00 3.23 O ATOM 1349 CB LYS A 90 18.359 41.036 -5.651 1.00 50.24 C ATOM 1350 CG LYS A 90 19.748 40.843 -6.235 1.00 0.22 C ATOM 1351 CD LYS A 90 20.278 42.128 -6.849 1.00 25.04 C ATOM 1352 CE LYS A 90 21.542 41.879 -7.657 1.00 63.14 C ATOM 1353 NZ LYS A 90 22.701 42.651 -7.128 1.00 73.31 N ATOM 0 H LYS A 90 19.316 39.193 -4.322 1.00 22.21 H new ATOM 0 HA LYS A 90 18.937 41.858 -3.750 1.00 71.23 H new ATOM 0 HB2 LYS A 90 17.706 40.245 -6.020 1.00 50.24 H new ATOM 0 HB3 LYS A 90 17.951 41.980 -6.011 1.00 50.24 H new ATOM 0 HG2 LYS A 90 20.428 40.504 -5.454 1.00 0.22 H new ATOM 0 HG3 LYS A 90 19.719 40.061 -6.994 1.00 0.22 H new ATOM 0 HD2 LYS A 90 19.515 42.567 -7.491 1.00 25.04 H new ATOM 0 HD3 LYS A 90 20.486 42.851 -6.060 1.00 25.04 H new ATOM 0 HE2 LYS A 90 21.778 40.815 -7.643 1.00 63.14 H new ATOM 0 HE3 LYS A 90 21.368 42.153 -8.697 1.00 63.14 H new ATOM 0 HZ1 LYS A 90 23.543 42.454 -7.706 1.00 73.31 H new ATOM 0 HZ2 LYS A 90 22.487 43.668 -7.165 1.00 73.31 H new ATOM 0 HZ3 LYS A 90 22.884 42.371 -6.143 1.00 73.31 H new ATOM 1367 N MET A 91 16.166 40.119 -3.518 1.00 11.34 N ATOM 1368 CA MET A 91 14.784 40.165 -3.055 1.00 12.34 C ATOM 1369 C MET A 91 14.695 40.797 -1.669 1.00 25.32 C ATOM 1370 O MET A 91 13.859 41.666 -1.423 1.00 72.04 O ATOM 1371 CB MET A 91 14.186 38.757 -3.025 1.00 41.34 C ATOM 1372 CG MET A 91 12.930 38.648 -2.176 1.00 61.22 C ATOM 1373 SD MET A 91 11.634 39.785 -2.703 1.00 41.31 S ATOM 1374 CE MET A 91 10.726 39.996 -1.174 1.00 4.35 C ATOM 0 H MET A 91 16.505 39.184 -3.743 1.00 11.34 H new ATOM 0 HA MET A 91 14.214 40.779 -3.752 1.00 12.34 H new ATOM 0 HB2 MET A 91 13.954 38.448 -4.044 1.00 41.34 H new ATOM 0 HB3 MET A 91 14.934 38.062 -2.644 1.00 41.34 H new ATOM 0 HG2 MET A 91 12.553 37.627 -2.222 1.00 61.22 H new ATOM 0 HG3 MET A 91 13.182 38.848 -1.134 1.00 61.22 H new ATOM 0 HE1 MET A 91 9.673 39.768 -1.341 1.00 4.35 H new ATOM 0 HE2 MET A 91 11.127 39.323 -0.417 1.00 4.35 H new ATOM 0 HE3 MET A 91 10.824 41.026 -0.832 1.00 4.35 H new ATOM 1384 N LYS A 92 15.563 40.354 -0.765 1.00 64.14 N ATOM 1385 CA LYS A 92 15.585 40.876 0.596 1.00 73.21 C ATOM 1386 C LYS A 92 15.818 42.383 0.597 1.00 2.22 C ATOM 1387 O LYS A 92 15.297 43.102 1.451 1.00 22.33 O ATOM 1388 CB LYS A 92 16.675 40.179 1.414 1.00 54.50 C ATOM 1389 CG LYS A 92 16.210 38.895 2.077 1.00 31.44 C ATOM 1390 CD LYS A 92 15.904 39.107 3.551 1.00 72.25 C ATOM 1391 CE LYS A 92 15.136 37.931 4.135 1.00 11.22 C ATOM 1392 NZ LYS A 92 14.662 38.211 5.519 1.00 51.32 N ATOM 0 H LYS A 92 16.261 39.634 -0.951 1.00 64.14 H new ATOM 0 HA LYS A 92 14.615 40.676 1.051 1.00 73.21 H new ATOM 0 HB2 LYS A 92 17.520 39.956 0.762 1.00 54.50 H new ATOM 0 HB3 LYS A 92 17.036 40.864 2.181 1.00 54.50 H new ATOM 0 HG2 LYS A 92 15.320 38.524 1.569 1.00 31.44 H new ATOM 0 HG3 LYS A 92 16.979 38.130 1.971 1.00 31.44 H new ATOM 0 HD2 LYS A 92 16.835 39.244 4.101 1.00 72.25 H new ATOM 0 HD3 LYS A 92 15.323 40.021 3.675 1.00 72.25 H new ATOM 0 HE2 LYS A 92 14.282 37.703 3.498 1.00 11.22 H new ATOM 0 HE3 LYS A 92 15.774 37.047 4.141 1.00 11.22 H new ATOM 0 HZ1 LYS A 92 14.358 37.324 5.968 1.00 51.32 H new ATOM 0 HZ2 LYS A 92 15.436 38.631 6.073 1.00 51.32 H new ATOM 0 HZ3 LYS A 92 13.861 38.874 5.484 1.00 51.32 H new ATOM 1406 N LEU A 93 16.603 42.856 -0.365 1.00 13.43 N ATOM 1407 CA LEU A 93 16.904 44.279 -0.476 1.00 11.54 C ATOM 1408 C LEU A 93 15.653 45.074 -0.836 1.00 12.43 C ATOM 1409 O LEU A 93 15.326 46.065 -0.183 1.00 53.10 O ATOM 1410 CB LEU A 93 17.989 44.511 -1.528 1.00 64.32 C ATOM 1411 CG LEU A 93 19.135 43.499 -1.544 1.00 25.40 C ATOM 1412 CD1 LEU A 93 20.193 43.906 -2.558 1.00 62.41 C ATOM 1413 CD2 LEU A 93 19.747 43.364 -0.157 1.00 44.12 C ATOM 0 H LEU A 93 17.042 42.275 -1.079 1.00 13.43 H new ATOM 0 HA LEU A 93 17.266 44.625 0.492 1.00 11.54 H new ATOM 0 HB2 LEU A 93 17.519 44.513 -2.511 1.00 64.32 H new ATOM 0 HB3 LEU A 93 18.410 45.504 -1.374 1.00 64.32 H new ATOM 0 HG LEU A 93 18.733 42.529 -1.838 1.00 25.40 H new ATOM 0 HD11 LEU A 93 21.001 43.174 -2.555 1.00 62.41 H new ATOM 0 HD12 LEU A 93 19.747 43.950 -3.552 1.00 62.41 H new ATOM 0 HD13 LEU A 93 20.591 44.886 -2.295 1.00 62.41 H new ATOM 0 HD21 LEU A 93 20.561 42.640 -0.187 1.00 44.12 H new ATOM 0 HD22 LEU A 93 20.133 44.331 0.166 1.00 44.12 H new ATOM 0 HD23 LEU A 93 18.986 43.025 0.545 1.00 44.12 H new ATOM 1425 N ALA A 94 14.956 44.632 -1.877 1.00 62.23 N ATOM 1426 CA ALA A 94 13.739 45.299 -2.321 1.00 52.14 C ATOM 1427 C ALA A 94 12.772 45.508 -1.160 1.00 63.44 C ATOM 1428 O ALA A 94 12.156 46.566 -1.037 1.00 25.11 O ATOM 1429 CB ALA A 94 13.071 44.497 -3.429 1.00 4.41 C ATOM 0 H ALA A 94 15.214 43.814 -2.429 1.00 62.23 H new ATOM 0 HA ALA A 94 14.014 46.279 -2.712 1.00 52.14 H new ATOM 0 HB1 ALA A 94 12.163 45.007 -3.751 1.00 4.41 H new ATOM 0 HB2 ALA A 94 13.754 44.404 -4.273 1.00 4.41 H new ATOM 0 HB3 ALA A 94 12.817 43.504 -3.057 1.00 4.41 H new ATOM 1435 N GLN A 95 12.644 44.492 -0.313 1.00 63.53 N ATOM 1436 CA GLN A 95 11.751 44.564 0.837 1.00 50.32 C ATOM 1437 C GLN A 95 12.087 45.767 1.712 1.00 25.12 C ATOM 1438 O GLN A 95 11.204 46.368 2.322 1.00 52.51 O ATOM 1439 CB GLN A 95 11.840 43.278 1.660 1.00 14.33 C ATOM 1440 CG GLN A 95 10.527 42.516 1.740 1.00 21.55 C ATOM 1441 CD GLN A 95 9.776 42.780 3.031 1.00 43.04 C ATOM 1442 OE1 GLN A 95 10.197 42.352 4.106 1.00 11.50 O ATOM 1443 NE2 GLN A 95 8.658 43.488 2.930 1.00 14.53 N ATOM 0 H GLN A 95 13.147 43.609 -0.402 1.00 63.53 H new ATOM 0 HA GLN A 95 10.732 44.680 0.468 1.00 50.32 H new ATOM 0 HB2 GLN A 95 12.601 42.630 1.225 1.00 14.33 H new ATOM 0 HB3 GLN A 95 12.170 43.524 2.669 1.00 14.33 H new ATOM 0 HG2 GLN A 95 9.898 42.794 0.895 1.00 21.55 H new ATOM 0 HG3 GLN A 95 10.725 41.448 1.651 1.00 21.55 H new ATOM 0 HE21 GLN A 95 8.347 43.823 2.018 1.00 14.53 H new ATOM 0 HE22 GLN A 95 8.110 43.698 3.764 1.00 14.53 H new ATOM 1452 N GLN A 96 13.370 46.111 1.769 1.00 21.33 N ATOM 1453 CA GLN A 96 13.822 47.241 2.571 1.00 4.25 C ATOM 1454 C GLN A 96 13.887 48.513 1.732 1.00 23.12 C ATOM 1455 O GLN A 96 13.913 49.621 2.268 1.00 50.43 O ATOM 1456 CB GLN A 96 15.195 46.946 3.179 1.00 61.05 C ATOM 1457 CG GLN A 96 15.882 48.174 3.754 1.00 25.42 C ATOM 1458 CD GLN A 96 16.769 47.844 4.939 1.00 42.31 C ATOM 1459 OE1 GLN A 96 17.889 47.359 4.775 1.00 71.21 O ATOM 1460 NE2 GLN A 96 16.272 48.107 6.142 1.00 43.31 N ATOM 0 H GLN A 96 14.114 45.623 1.270 1.00 21.33 H new ATOM 0 HA GLN A 96 13.102 47.394 3.375 1.00 4.25 H new ATOM 0 HB2 GLN A 96 15.082 46.201 3.967 1.00 61.05 H new ATOM 0 HB3 GLN A 96 15.835 46.507 2.414 1.00 61.05 H new ATOM 0 HG2 GLN A 96 16.482 48.648 2.977 1.00 25.42 H new ATOM 0 HG3 GLN A 96 15.127 48.898 4.060 1.00 25.42 H new ATOM 0 HE21 GLN A 96 15.339 48.509 6.232 1.00 43.31 H new ATOM 0 HE22 GLN A 96 16.823 47.907 6.976 1.00 43.31 H new ATOM 1469 N TYR A 97 13.914 48.345 0.415 1.00 50.52 N ATOM 1470 CA TYR A 97 13.979 49.480 -0.499 1.00 12.13 C ATOM 1471 C TYR A 97 12.583 49.890 -0.958 1.00 11.32 C ATOM 1472 O TYR A 97 12.395 50.336 -2.090 1.00 33.21 O ATOM 1473 CB TYR A 97 14.846 49.137 -1.711 1.00 21.30 C ATOM 1474 CG TYR A 97 16.328 49.126 -1.412 1.00 21.23 C ATOM 1475 CD1 TYR A 97 16.916 50.149 -0.678 1.00 65.42 C ATOM 1476 CD2 TYR A 97 17.140 48.092 -1.862 1.00 31.33 C ATOM 1477 CE1 TYR A 97 18.270 50.143 -0.403 1.00 62.12 C ATOM 1478 CE2 TYR A 97 18.494 48.077 -1.590 1.00 64.01 C ATOM 1479 CZ TYR A 97 19.055 49.105 -0.861 1.00 71.00 C ATOM 1480 OH TYR A 97 20.404 49.095 -0.588 1.00 35.11 O ATOM 0 H TYR A 97 13.892 47.434 -0.044 1.00 50.52 H new ATOM 0 HA TYR A 97 14.428 50.318 0.034 1.00 12.13 H new ATOM 0 HB2 TYR A 97 14.553 48.158 -2.091 1.00 21.30 H new ATOM 0 HB3 TYR A 97 14.649 49.859 -2.504 1.00 21.30 H new ATOM 0 HD1 TYR A 97 16.304 50.962 -0.316 1.00 65.42 H new ATOM 0 HD2 TYR A 97 16.705 47.286 -2.434 1.00 31.33 H new ATOM 0 HE1 TYR A 97 18.712 50.947 0.168 1.00 62.12 H new ATOM 0 HE2 TYR A 97 19.110 47.265 -1.946 1.00 64.01 H new ATOM 0 HH TYR A 97 20.811 48.295 -0.981 1.00 35.11 H new ATOM 1490 N VAL A 98 11.606 49.737 -0.069 1.00 41.13 N ATOM 1491 CA VAL A 98 10.227 50.093 -0.381 1.00 32.34 C ATOM 1492 C VAL A 98 9.833 51.405 0.288 1.00 22.12 C ATOM 1493 O VAL A 98 9.120 52.221 -0.295 1.00 35.44 O ATOM 1494 CB VAL A 98 9.249 48.989 0.064 1.00 54.02 C ATOM 1495 CG1 VAL A 98 7.810 49.426 -0.165 1.00 51.42 C ATOM 1496 CG2 VAL A 98 9.543 47.690 -0.671 1.00 32.35 C ATOM 0 H VAL A 98 11.744 49.369 0.872 1.00 41.13 H new ATOM 0 HA VAL A 98 10.167 50.208 -1.463 1.00 32.34 H new ATOM 0 HB VAL A 98 9.385 48.815 1.131 1.00 54.02 H new ATOM 0 HG11 VAL A 98 7.134 48.633 0.155 1.00 51.42 H new ATOM 0 HG12 VAL A 98 7.608 50.330 0.410 1.00 51.42 H new ATOM 0 HG13 VAL A 98 7.656 49.629 -1.225 1.00 51.42 H new ATOM 0 HG21 VAL A 98 8.843 46.921 -0.345 1.00 32.35 H new ATOM 0 HG22 VAL A 98 9.435 47.847 -1.744 1.00 32.35 H new ATOM 0 HG23 VAL A 98 10.562 47.370 -0.451 1.00 32.35 H new ATOM 1506 N MET A 99 10.304 51.602 1.515 1.00 31.34 N ATOM 1507 CA MET A 99 10.002 52.817 2.263 1.00 23.45 C ATOM 1508 C MET A 99 10.819 53.994 1.741 1.00 65.21 C ATOM 1509 O MET A 99 10.531 55.150 2.051 1.00 1.24 O ATOM 1510 CB MET A 99 10.283 52.607 3.753 1.00 71.03 C ATOM 1511 CG MET A 99 9.482 53.529 4.658 1.00 71.13 C ATOM 1512 SD MET A 99 10.516 54.409 5.843 1.00 5.14 S ATOM 1513 CE MET A 99 11.606 55.307 4.741 1.00 13.22 C ATOM 0 H MET A 99 10.896 50.936 2.012 1.00 31.34 H new ATOM 0 HA MET A 99 8.944 53.044 2.128 1.00 23.45 H new ATOM 0 HB2 MET A 99 10.061 51.572 4.014 1.00 71.03 H new ATOM 0 HB3 MET A 99 11.346 52.762 3.939 1.00 71.03 H new ATOM 0 HG2 MET A 99 8.941 54.252 4.047 1.00 71.13 H new ATOM 0 HG3 MET A 99 8.736 52.945 5.196 1.00 71.13 H new ATOM 0 HE1 MET A 99 12.319 55.887 5.327 1.00 13.22 H new ATOM 0 HE2 MET A 99 12.145 54.602 4.108 1.00 13.22 H new ATOM 0 HE3 MET A 99 11.018 55.979 4.116 1.00 13.22 H new ATOM 1523 N THR A 100 11.841 53.693 0.946 1.00 65.33 N ATOM 1524 CA THR A 100 12.701 54.725 0.381 1.00 1.55 C ATOM 1525 C THR A 100 12.145 55.242 -0.941 1.00 21.04 C ATOM 1526 O THR A 100 11.549 56.318 -0.996 1.00 60.54 O ATOM 1527 CB THR A 100 14.132 54.203 0.154 1.00 22.03 C ATOM 1528 OG1 THR A 100 14.731 53.853 1.407 1.00 14.13 O ATOM 1529 CG2 THR A 100 14.986 55.249 -0.546 1.00 55.53 C ATOM 0 H THR A 100 12.093 52.742 0.679 1.00 65.33 H new ATOM 0 HA THR A 100 12.731 55.541 1.103 1.00 1.55 H new ATOM 0 HB THR A 100 14.075 53.319 -0.481 1.00 22.03 H new ATOM 0 HG1 THR A 100 15.640 53.520 1.253 1.00 14.13 H new ATOM 0 HG21 THR A 100 15.992 54.857 -0.695 1.00 55.53 H new ATOM 0 HG22 THR A 100 14.544 55.492 -1.512 1.00 55.53 H new ATOM 0 HG23 THR A 100 15.035 56.149 0.067 1.00 55.53 H new ATOM 1537 N SER A 101 12.343 54.468 -2.003 1.00 42.42 N ATOM 1538 CA SER A 101 11.864 54.850 -3.326 1.00 72.24 C ATOM 1539 C SER A 101 12.359 53.871 -4.387 1.00 34.44 C ATOM 1540 O SER A 101 11.698 53.652 -5.403 1.00 62.21 O ATOM 1541 CB SER A 101 12.325 56.267 -3.670 1.00 42.42 C ATOM 1542 OG SER A 101 11.224 57.155 -3.758 1.00 71.14 O ATOM 0 H SER A 101 12.832 53.573 -1.973 1.00 42.42 H new ATOM 0 HA SER A 101 10.774 54.824 -3.311 1.00 72.24 H new ATOM 0 HB2 SER A 101 13.021 56.621 -2.910 1.00 42.42 H new ATOM 0 HB3 SER A 101 12.865 56.257 -4.617 1.00 42.42 H new ATOM 0 HG SER A 101 10.820 57.264 -2.872 1.00 71.14 H new ATOM 1548 N LEU A 102 13.525 53.284 -4.142 1.00 60.13 N ATOM 1549 CA LEU A 102 14.110 52.327 -5.075 1.00 44.00 C ATOM 1550 C LEU A 102 13.409 50.976 -4.980 1.00 64.43 C ATOM 1551 O LEU A 102 14.038 49.960 -4.684 1.00 71.13 O ATOM 1552 CB LEU A 102 15.605 52.160 -4.794 1.00 52.02 C ATOM 1553 CG LEU A 102 16.349 53.419 -4.348 1.00 13.20 C ATOM 1554 CD1 LEU A 102 17.839 53.142 -4.220 1.00 54.04 C ATOM 1555 CD2 LEU A 102 16.098 54.560 -5.323 1.00 42.40 C ATOM 0 H LEU A 102 14.084 53.454 -3.306 1.00 60.13 H new ATOM 0 HA LEU A 102 13.977 52.714 -6.085 1.00 44.00 H new ATOM 0 HB2 LEU A 102 15.727 51.398 -4.024 1.00 52.02 H new ATOM 0 HB3 LEU A 102 16.084 51.780 -5.697 1.00 52.02 H new ATOM 0 HG LEU A 102 15.970 53.714 -3.369 1.00 13.20 H new ATOM 0 HD11 LEU A 102 18.352 54.050 -3.902 1.00 54.04 H new ATOM 0 HD12 LEU A 102 18.001 52.356 -3.482 1.00 54.04 H new ATOM 0 HD13 LEU A 102 18.234 52.821 -5.184 1.00 54.04 H new ATOM 0 HD21 LEU A 102 16.635 55.448 -4.990 1.00 42.40 H new ATOM 0 HD22 LEU A 102 16.448 54.275 -6.315 1.00 42.40 H new ATOM 0 HD23 LEU A 102 15.030 54.776 -5.364 1.00 42.40 H new ATOM 1567 N GLN A 103 12.105 50.972 -5.236 1.00 1.21 N ATOM 1568 CA GLN A 103 11.320 49.745 -5.181 1.00 33.03 C ATOM 1569 C GLN A 103 11.147 49.146 -6.573 1.00 15.42 C ATOM 1570 O GLN A 103 11.600 48.034 -6.840 1.00 74.03 O ATOM 1571 CB GLN A 103 9.950 50.019 -4.556 1.00 63.53 C ATOM 1572 CG GLN A 103 8.925 48.932 -4.838 1.00 23.33 C ATOM 1573 CD GLN A 103 8.058 48.621 -3.633 1.00 44.34 C ATOM 1574 OE1 GLN A 103 7.458 49.517 -3.039 1.00 74.20 O ATOM 1575 NE2 GLN A 103 7.989 47.347 -3.267 1.00 34.05 N ATOM 0 H GLN A 103 11.570 51.804 -5.483 1.00 1.21 H new ATOM 0 HA GLN A 103 11.857 49.027 -4.561 1.00 33.03 H new ATOM 0 HB2 GLN A 103 10.067 50.126 -3.478 1.00 63.53 H new ATOM 0 HB3 GLN A 103 9.572 50.970 -4.932 1.00 63.53 H new ATOM 0 HG2 GLN A 103 8.290 49.243 -5.667 1.00 23.33 H new ATOM 0 HG3 GLN A 103 9.440 48.025 -5.154 1.00 23.33 H new ATOM 0 HE21 GLN A 103 8.504 46.638 -3.789 1.00 34.05 H new ATOM 0 HE22 GLN A 103 7.421 47.077 -2.464 1.00 34.05 H new ATOM 1584 N GLN A 104 10.488 49.892 -7.454 1.00 61.04 N ATOM 1585 CA GLN A 104 10.255 49.433 -8.819 1.00 14.43 C ATOM 1586 C GLN A 104 11.565 49.042 -9.493 1.00 62.12 C ATOM 1587 O GLN A 104 11.582 48.213 -10.402 1.00 62.13 O ATOM 1588 CB GLN A 104 9.554 50.523 -9.632 1.00 60.24 C ATOM 1589 CG GLN A 104 8.349 51.127 -8.930 1.00 4.55 C ATOM 1590 CD GLN A 104 7.115 51.156 -9.808 1.00 55.24 C ATOM 1591 OE1 GLN A 104 7.201 51.400 -11.012 1.00 53.22 O ATOM 1592 NE2 GLN A 104 5.956 50.906 -9.210 1.00 13.10 N ATOM 0 H GLN A 104 10.107 50.815 -7.248 1.00 61.04 H new ATOM 0 HA GLN A 104 9.614 48.552 -8.776 1.00 14.43 H new ATOM 0 HB2 GLN A 104 10.269 51.315 -9.854 1.00 60.24 H new ATOM 0 HB3 GLN A 104 9.235 50.104 -10.587 1.00 60.24 H new ATOM 0 HG2 GLN A 104 8.135 50.554 -8.028 1.00 4.55 H new ATOM 0 HG3 GLN A 104 8.589 52.142 -8.614 1.00 4.55 H new ATOM 0 HE21 GLN A 104 5.930 50.709 -8.210 1.00 13.10 H new ATOM 0 HE22 GLN A 104 5.091 50.911 -9.751 1.00 13.10 H new ATOM 1601 N GLU A 105 12.661 49.644 -9.041 1.00 52.54 N ATOM 1602 CA GLU A 105 13.976 49.359 -9.603 1.00 73.32 C ATOM 1603 C GLU A 105 14.239 47.856 -9.634 1.00 62.12 C ATOM 1604 O GLU A 105 14.444 47.272 -10.699 1.00 14.40 O ATOM 1605 CB GLU A 105 15.065 50.062 -8.791 1.00 65.13 C ATOM 1606 CG GLU A 105 15.066 51.573 -8.954 1.00 21.33 C ATOM 1607 CD GLU A 105 16.255 52.231 -8.280 1.00 55.35 C ATOM 1608 OE1 GLU A 105 17.137 51.498 -7.786 1.00 13.31 O ATOM 1609 OE2 GLU A 105 16.303 53.479 -8.248 1.00 34.42 O ATOM 0 H GLU A 105 12.664 50.332 -8.288 1.00 52.54 H new ATOM 0 HA GLU A 105 13.996 49.735 -10.626 1.00 73.32 H new ATOM 0 HB2 GLU A 105 14.934 49.819 -7.737 1.00 65.13 H new ATOM 0 HB3 GLU A 105 16.038 49.672 -9.090 1.00 65.13 H new ATOM 0 HG2 GLU A 105 15.072 51.820 -10.016 1.00 21.33 H new ATOM 0 HG3 GLU A 105 14.145 51.980 -8.537 1.00 21.33 H new ATOM 1616 N TYR A 106 14.233 47.236 -8.459 1.00 43.14 N ATOM 1617 CA TYR A 106 14.474 45.802 -8.351 1.00 5.24 C ATOM 1618 C TYR A 106 13.396 45.011 -9.085 1.00 1.13 C ATOM 1619 O TYR A 106 13.654 43.929 -9.613 1.00 14.12 O ATOM 1620 CB TYR A 106 14.520 45.381 -6.881 1.00 14.53 C ATOM 1621 CG TYR A 106 14.278 43.904 -6.666 1.00 2.41 C ATOM 1622 CD1 TYR A 106 15.329 42.996 -6.706 1.00 72.11 C ATOM 1623 CD2 TYR A 106 13.000 43.417 -6.424 1.00 12.11 C ATOM 1624 CE1 TYR A 106 15.113 41.645 -6.511 1.00 41.32 C ATOM 1625 CE2 TYR A 106 12.775 42.069 -6.226 1.00 70.43 C ATOM 1626 CZ TYR A 106 13.835 41.187 -6.271 1.00 74.31 C ATOM 1627 OH TYR A 106 13.614 39.842 -6.076 1.00 45.43 O ATOM 0 H TYR A 106 14.064 47.704 -7.568 1.00 43.14 H new ATOM 0 HA TYR A 106 15.436 45.585 -8.815 1.00 5.24 H new ATOM 0 HB2 TYR A 106 15.493 45.645 -6.466 1.00 14.53 H new ATOM 0 HB3 TYR A 106 13.772 45.948 -6.326 1.00 14.53 H new ATOM 0 HD1 TYR A 106 16.331 43.352 -6.893 1.00 72.11 H new ATOM 0 HD2 TYR A 106 12.168 44.104 -6.390 1.00 12.11 H new ATOM 0 HE1 TYR A 106 15.941 40.952 -6.546 1.00 41.32 H new ATOM 0 HE2 TYR A 106 11.775 41.707 -6.037 1.00 70.43 H new ATOM 0 HH TYR A 106 12.659 39.687 -5.918 1.00 45.43 H new ATOM 1637 N LYS A 107 12.186 45.560 -9.114 1.00 63.44 N ATOM 1638 CA LYS A 107 11.067 44.909 -9.785 1.00 32.24 C ATOM 1639 C LYS A 107 11.354 44.728 -11.272 1.00 15.31 C ATOM 1640 O LYS A 107 11.161 43.645 -11.825 1.00 52.41 O ATOM 1641 CB LYS A 107 9.787 45.727 -9.597 1.00 5.23 C ATOM 1642 CG LYS A 107 9.464 46.025 -8.143 1.00 1.12 C ATOM 1643 CD LYS A 107 8.768 44.851 -7.475 1.00 0.44 C ATOM 1644 CE LYS A 107 7.710 45.319 -6.487 1.00 2.40 C ATOM 1645 NZ LYS A 107 7.746 44.534 -5.222 1.00 74.24 N ATOM 0 H LYS A 107 11.955 46.454 -8.681 1.00 63.44 H new ATOM 0 HA LYS A 107 10.931 43.924 -9.337 1.00 32.24 H new ATOM 0 HB2 LYS A 107 9.884 46.668 -10.139 1.00 5.23 H new ATOM 0 HB3 LYS A 107 8.952 45.187 -10.043 1.00 5.23 H new ATOM 0 HG2 LYS A 107 10.383 46.258 -7.605 1.00 1.12 H new ATOM 0 HG3 LYS A 107 8.828 46.908 -8.084 1.00 1.12 H new ATOM 0 HD2 LYS A 107 8.305 44.221 -8.235 1.00 0.44 H new ATOM 0 HD3 LYS A 107 9.505 44.237 -6.957 1.00 0.44 H new ATOM 0 HE2 LYS A 107 7.863 46.375 -6.264 1.00 2.40 H new ATOM 0 HE3 LYS A 107 6.724 45.230 -6.942 1.00 2.40 H new ATOM 0 HZ1 LYS A 107 6.856 44.673 -4.702 1.00 74.24 H new ATOM 0 HZ2 LYS A 107 7.864 43.525 -5.443 1.00 74.24 H new ATOM 0 HZ3 LYS A 107 8.543 44.856 -4.636 1.00 74.24 H new ATOM 1659 N LYS A 108 11.816 45.795 -11.914 1.00 44.32 N ATOM 1660 CA LYS A 108 12.133 45.755 -13.337 1.00 31.10 C ATOM 1661 C LYS A 108 13.271 44.778 -13.614 1.00 5.34 C ATOM 1662 O LYS A 108 13.175 43.936 -14.505 1.00 73.41 O ATOM 1663 CB LYS A 108 12.512 47.151 -13.836 1.00 52.11 C ATOM 1664 CG LYS A 108 11.355 48.136 -13.824 1.00 64.23 C ATOM 1665 CD LYS A 108 10.707 48.251 -15.194 1.00 30.23 C ATOM 1666 CE LYS A 108 11.159 49.508 -15.921 1.00 21.13 C ATOM 1667 NZ LYS A 108 10.390 49.729 -17.177 1.00 3.23 N ATOM 0 H LYS A 108 11.980 46.699 -11.471 1.00 44.32 H new ATOM 0 HA LYS A 108 11.246 45.413 -13.871 1.00 31.10 H new ATOM 0 HB2 LYS A 108 13.318 47.543 -13.216 1.00 52.11 H new ATOM 0 HB3 LYS A 108 12.900 47.072 -14.851 1.00 52.11 H new ATOM 0 HG2 LYS A 108 10.611 47.816 -13.094 1.00 64.23 H new ATOM 0 HG3 LYS A 108 11.713 49.115 -13.506 1.00 64.23 H new ATOM 0 HD2 LYS A 108 10.958 47.374 -15.791 1.00 30.23 H new ATOM 0 HD3 LYS A 108 9.623 48.263 -15.085 1.00 30.23 H new ATOM 0 HE2 LYS A 108 11.039 50.370 -15.265 1.00 21.13 H new ATOM 0 HE3 LYS A 108 12.221 49.431 -16.154 1.00 21.13 H new ATOM 0 HZ1 LYS A 108 10.728 50.595 -17.643 1.00 3.23 H new ATOM 0 HZ2 LYS A 108 10.525 48.918 -17.814 1.00 3.23 H new ATOM 0 HZ3 LYS A 108 9.379 49.828 -16.952 1.00 3.23 H new ATOM 1681 N GLN A 109 14.348 44.897 -12.843 1.00 14.43 N ATOM 1682 CA GLN A 109 15.504 44.024 -13.005 1.00 73.23 C ATOM 1683 C GLN A 109 15.115 42.563 -12.801 1.00 4.25 C ATOM 1684 O GLN A 109 15.462 41.700 -13.606 1.00 42.12 O ATOM 1685 CB GLN A 109 16.607 44.414 -12.020 1.00 33.31 C ATOM 1686 CG GLN A 109 17.037 45.867 -12.132 1.00 14.51 C ATOM 1687 CD GLN A 109 17.970 46.288 -11.014 1.00 30.23 C ATOM 1688 OE1 GLN A 109 18.956 45.609 -10.724 1.00 52.12 O ATOM 1689 NE2 GLN A 109 17.664 47.413 -10.378 1.00 72.20 N ATOM 0 H GLN A 109 14.443 45.590 -12.100 1.00 14.43 H new ATOM 0 HA GLN A 109 15.878 44.143 -14.022 1.00 73.23 H new ATOM 0 HB2 GLN A 109 16.259 44.224 -11.005 1.00 33.31 H new ATOM 0 HB3 GLN A 109 17.473 43.774 -12.186 1.00 33.31 H new ATOM 0 HG2 GLN A 109 17.532 46.022 -13.091 1.00 14.51 H new ATOM 0 HG3 GLN A 109 16.153 46.505 -12.122 1.00 14.51 H new ATOM 0 HE21 GLN A 109 16.837 47.945 -10.651 1.00 72.20 H new ATOM 0 HE22 GLN A 109 18.256 47.745 -9.617 1.00 72.20 H new ATOM 1698 N MET A 110 14.394 42.294 -11.717 1.00 42.11 N ATOM 1699 CA MET A 110 13.958 40.937 -11.407 1.00 42.43 C ATOM 1700 C MET A 110 13.145 40.352 -12.557 1.00 63.34 C ATOM 1701 O MET A 110 13.230 39.157 -12.846 1.00 10.13 O ATOM 1702 CB MET A 110 13.127 40.927 -10.123 1.00 24.43 C ATOM 1703 CG MET A 110 13.122 39.582 -9.414 1.00 1.13 C ATOM 1704 SD MET A 110 11.582 38.676 -9.654 1.00 70.14 S ATOM 1705 CE MET A 110 11.621 37.563 -8.251 1.00 51.34 C ATOM 0 H MET A 110 14.100 42.997 -11.039 1.00 42.11 H new ATOM 0 HA MET A 110 14.845 40.321 -11.262 1.00 42.43 H new ATOM 0 HB2 MET A 110 13.514 41.686 -9.443 1.00 24.43 H new ATOM 0 HB3 MET A 110 12.101 41.207 -10.362 1.00 24.43 H new ATOM 0 HG2 MET A 110 13.954 38.980 -9.779 1.00 1.13 H new ATOM 0 HG3 MET A 110 13.285 39.737 -8.348 1.00 1.13 H new ATOM 0 HE1 MET A 110 10.997 36.694 -8.459 1.00 51.34 H new ATOM 0 HE2 MET A 110 12.646 37.239 -8.072 1.00 51.34 H new ATOM 0 HE3 MET A 110 11.244 38.078 -7.368 1.00 51.34 H new ATOM 1715 N LEU A 111 12.358 41.199 -13.211 1.00 70.20 N ATOM 1716 CA LEU A 111 11.529 40.765 -14.330 1.00 61.32 C ATOM 1717 C LEU A 111 12.377 40.098 -15.409 1.00 35.20 C ATOM 1718 O LEU A 111 12.134 38.950 -15.784 1.00 24.25 O ATOM 1719 CB LEU A 111 10.773 41.955 -14.923 1.00 5.52 C ATOM 1720 CG LEU A 111 9.252 41.929 -14.768 1.00 45.44 C ATOM 1721 CD1 LEU A 111 8.626 43.133 -15.454 1.00 14.51 C ATOM 1722 CD2 LEU A 111 8.681 40.636 -15.331 1.00 24.11 C ATOM 0 H LEU A 111 12.276 42.190 -12.986 1.00 70.20 H new ATOM 0 HA LEU A 111 10.810 40.036 -13.956 1.00 61.32 H new ATOM 0 HB2 LEU A 111 11.150 42.867 -14.459 1.00 5.52 H new ATOM 0 HB3 LEU A 111 11.009 42.017 -15.985 1.00 5.52 H new ATOM 0 HG LEU A 111 9.013 41.976 -13.706 1.00 45.44 H new ATOM 0 HD11 LEU A 111 7.543 43.098 -15.334 1.00 14.51 H new ATOM 0 HD12 LEU A 111 9.012 44.049 -15.006 1.00 14.51 H new ATOM 0 HD13 LEU A 111 8.874 43.117 -16.515 1.00 14.51 H new ATOM 0 HD21 LEU A 111 7.597 40.635 -15.212 1.00 24.11 H new ATOM 0 HD22 LEU A 111 8.930 40.559 -16.389 1.00 24.11 H new ATOM 0 HD23 LEU A 111 9.106 39.787 -14.795 1.00 24.11 H new ATOM 1734 N THR A 112 13.374 40.824 -15.904 1.00 53.24 N ATOM 1735 CA THR A 112 14.258 40.303 -16.939 1.00 42.30 C ATOM 1736 C THR A 112 14.929 39.010 -16.489 1.00 50.52 C ATOM 1737 O THR A 112 14.847 37.988 -17.170 1.00 3.43 O ATOM 1738 CB THR A 112 15.345 41.328 -17.317 1.00 72.51 C ATOM 1739 OG1 THR A 112 14.769 42.634 -17.428 1.00 3.02 O ATOM 1740 CG2 THR A 112 16.012 40.949 -18.631 1.00 32.32 C ATOM 0 H THR A 112 13.590 41.775 -15.605 1.00 53.24 H new ATOM 0 HA THR A 112 13.638 40.102 -17.813 1.00 42.30 H new ATOM 0 HB THR A 112 16.101 41.330 -16.531 1.00 72.51 H new ATOM 0 HG1 THR A 112 15.466 43.280 -17.667 1.00 3.02 H new ATOM 0 HG21 THR A 112 16.776 41.687 -18.878 1.00 32.32 H new ATOM 0 HG22 THR A 112 16.474 39.967 -18.534 1.00 32.32 H new ATOM 0 HG23 THR A 112 15.265 40.922 -19.424 1.00 32.32 H new ATOM 1748 N ALA A 113 15.592 39.063 -15.338 1.00 74.53 N ATOM 1749 CA ALA A 113 16.274 37.894 -14.796 1.00 42.24 C ATOM 1750 C ALA A 113 15.332 36.699 -14.710 1.00 34.33 C ATOM 1751 O ALA A 113 15.642 35.615 -15.203 1.00 34.20 O ATOM 1752 CB ALA A 113 16.856 38.211 -13.426 1.00 74.15 C ATOM 0 H ALA A 113 15.671 39.902 -14.764 1.00 74.53 H new ATOM 0 HA ALA A 113 17.088 37.633 -15.473 1.00 42.24 H new ATOM 0 HB1 ALA A 113 17.362 37.329 -13.033 1.00 74.15 H new ATOM 0 HB2 ALA A 113 17.570 39.030 -13.515 1.00 74.15 H new ATOM 0 HB3 ALA A 113 16.053 38.501 -12.748 1.00 74.15 H new ATOM 1758 N ALA A 114 14.180 36.904 -14.079 1.00 30.32 N ATOM 1759 CA ALA A 114 13.192 35.843 -13.929 1.00 33.22 C ATOM 1760 C ALA A 114 12.783 35.277 -15.285 1.00 3.23 C ATOM 1761 O ALA A 114 12.482 34.090 -15.408 1.00 60.51 O ATOM 1762 CB ALA A 114 11.972 36.360 -13.181 1.00 74.12 C ATOM 0 H ALA A 114 13.908 37.795 -13.664 1.00 30.32 H new ATOM 0 HA ALA A 114 13.645 35.038 -13.351 1.00 33.22 H new ATOM 0 HB1 ALA A 114 11.242 35.557 -13.076 1.00 74.12 H new ATOM 0 HB2 ALA A 114 12.272 36.709 -12.193 1.00 74.12 H new ATOM 0 HB3 ALA A 114 11.527 37.185 -13.737 1.00 74.12 H new ATOM 1768 N HIS A 115 12.775 36.135 -16.300 1.00 75.13 N ATOM 1769 CA HIS A 115 12.403 35.720 -17.648 1.00 54.02 C ATOM 1770 C HIS A 115 13.285 34.571 -18.126 1.00 23.10 C ATOM 1771 O HIS A 115 12.793 33.490 -18.447 1.00 62.23 O ATOM 1772 CB HIS A 115 12.512 36.899 -18.616 1.00 32.22 C ATOM 1773 CG HIS A 115 11.656 36.753 -19.836 1.00 41.23 C ATOM 1774 ND1 HIS A 115 12.100 37.053 -21.107 1.00 22.40 N ATOM 1775 CD2 HIS A 115 10.376 36.335 -19.975 1.00 42.25 C ATOM 1776 CE1 HIS A 115 11.130 36.827 -21.975 1.00 30.23 C ATOM 1777 NE2 HIS A 115 10.073 36.390 -21.314 1.00 0.43 N ATOM 0 H HIS A 115 13.022 37.121 -16.215 1.00 75.13 H new ATOM 0 HA HIS A 115 11.369 35.375 -17.623 1.00 54.02 H new ATOM 0 HB2 HIS A 115 12.233 37.814 -18.094 1.00 32.22 H new ATOM 0 HB3 HIS A 115 13.552 37.012 -18.923 1.00 32.22 H new ATOM 0 HD2 HIS A 115 9.716 36.017 -19.181 1.00 42.25 H new ATOM 0 HE1 HIS A 115 11.191 36.974 -23.043 1.00 30.23 H new ATOM 0 HE2 HIS A 115 9.177 36.135 -21.730 1.00 0.43 H new ATOM 1785 N ALA A 116 14.591 34.813 -18.171 1.00 2.44 N ATOM 1786 CA ALA A 116 15.542 33.799 -18.608 1.00 20.22 C ATOM 1787 C ALA A 116 15.590 32.633 -17.627 1.00 24.55 C ATOM 1788 O ALA A 116 15.649 31.470 -18.030 1.00 53.20 O ATOM 1789 CB ALA A 116 16.926 34.409 -18.774 1.00 31.01 C ATOM 0 H ALA A 116 15.015 35.703 -17.910 1.00 2.44 H new ATOM 0 HA ALA A 116 15.209 33.415 -19.572 1.00 20.22 H new ATOM 0 HB1 ALA A 116 17.626 33.640 -19.101 1.00 31.01 H new ATOM 0 HB2 ALA A 116 16.886 35.204 -19.519 1.00 31.01 H new ATOM 0 HB3 ALA A 116 17.259 34.821 -17.821 1.00 31.01 H new ATOM 1795 N LEU A 117 15.566 32.950 -16.337 1.00 25.53 N ATOM 1796 CA LEU A 117 15.608 31.927 -15.297 1.00 2.33 C ATOM 1797 C LEU A 117 14.462 30.935 -15.462 1.00 72.13 C ATOM 1798 O LEU A 117 14.684 29.734 -15.615 1.00 43.32 O ATOM 1799 CB LEU A 117 15.540 32.576 -13.913 1.00 44.32 C ATOM 1800 CG LEU A 117 16.748 32.347 -13.004 1.00 62.41 C ATOM 1801 CD1 LEU A 117 16.797 30.900 -12.537 1.00 1.35 C ATOM 1802 CD2 LEU A 117 18.036 32.720 -13.724 1.00 10.23 C ATOM 0 H LEU A 117 15.518 33.907 -15.986 1.00 25.53 H new ATOM 0 HA LEU A 117 16.549 31.386 -15.392 1.00 2.33 H new ATOM 0 HB2 LEU A 117 15.407 33.650 -14.044 1.00 44.32 H new ATOM 0 HB3 LEU A 117 14.651 32.205 -13.403 1.00 44.32 H new ATOM 0 HG LEU A 117 16.646 32.988 -12.128 1.00 62.41 H new ATOM 0 HD11 LEU A 117 17.663 30.755 -11.891 1.00 1.35 H new ATOM 0 HD12 LEU A 117 15.888 30.665 -11.983 1.00 1.35 H new ATOM 0 HD13 LEU A 117 16.875 30.241 -13.402 1.00 1.35 H new ATOM 0 HD21 LEU A 117 18.885 32.551 -13.062 1.00 10.23 H new ATOM 0 HD22 LEU A 117 18.144 32.105 -14.618 1.00 10.23 H new ATOM 0 HD23 LEU A 117 18.002 33.772 -14.009 1.00 10.23 H new ATOM 1814 N ALA A 118 13.235 31.445 -15.433 1.00 1.53 N ATOM 1815 CA ALA A 118 12.054 30.605 -15.584 1.00 30.13 C ATOM 1816 C ALA A 118 12.167 29.716 -16.818 1.00 14.41 C ATOM 1817 O ALA A 118 11.928 28.510 -16.751 1.00 50.51 O ATOM 1818 CB ALA A 118 10.801 31.464 -15.662 1.00 50.44 C ATOM 0 H ALA A 118 13.033 32.437 -15.306 1.00 1.53 H new ATOM 0 HA ALA A 118 11.984 29.959 -14.709 1.00 30.13 H new ATOM 0 HB1 ALA A 118 9.927 30.823 -15.775 1.00 50.44 H new ATOM 0 HB2 ALA A 118 10.705 32.051 -14.749 1.00 50.44 H new ATOM 0 HB3 ALA A 118 10.872 32.134 -16.519 1.00 50.44 H new ATOM 1824 N VAL A 119 12.531 30.320 -17.945 1.00 1.12 N ATOM 1825 CA VAL A 119 12.676 29.583 -19.195 1.00 13.34 C ATOM 1826 C VAL A 119 13.599 28.383 -19.021 1.00 30.40 C ATOM 1827 O VAL A 119 13.391 27.333 -19.630 1.00 15.11 O ATOM 1828 CB VAL A 119 13.227 30.483 -20.316 1.00 45.31 C ATOM 1829 CG1 VAL A 119 13.506 29.666 -21.569 1.00 14.24 C ATOM 1830 CG2 VAL A 119 12.258 31.617 -20.614 1.00 3.52 C ATOM 0 H VAL A 119 12.731 31.318 -18.018 1.00 1.12 H new ATOM 0 HA VAL A 119 11.682 29.235 -19.475 1.00 13.34 H new ATOM 0 HB VAL A 119 14.167 30.919 -19.979 1.00 45.31 H new ATOM 0 HG11 VAL A 119 13.895 30.319 -22.350 1.00 14.24 H new ATOM 0 HG12 VAL A 119 14.241 28.893 -21.343 1.00 14.24 H new ATOM 0 HG13 VAL A 119 12.583 29.200 -21.912 1.00 14.24 H new ATOM 0 HG21 VAL A 119 12.664 32.243 -21.409 1.00 3.52 H new ATOM 0 HG22 VAL A 119 11.300 31.204 -20.931 1.00 3.52 H new ATOM 0 HG23 VAL A 119 12.114 32.218 -19.716 1.00 3.52 H new ATOM 1840 N ASP A 120 14.620 28.544 -18.186 1.00 54.12 N ATOM 1841 CA ASP A 120 15.575 27.472 -17.930 1.00 41.54 C ATOM 1842 C ASP A 120 14.885 26.270 -17.294 1.00 24.11 C ATOM 1843 O ASP A 120 14.971 25.152 -17.802 1.00 1.23 O ATOM 1844 CB ASP A 120 16.701 27.970 -17.022 1.00 51.15 C ATOM 1845 CG ASP A 120 18.065 27.488 -17.475 1.00 22.24 C ATOM 1846 OD1 ASP A 120 18.441 26.352 -17.117 1.00 50.01 O ATOM 1847 OD2 ASP A 120 18.758 28.247 -18.185 1.00 74.52 O ATOM 0 H ASP A 120 14.807 29.407 -17.675 1.00 54.12 H new ATOM 0 HA ASP A 120 15.999 27.161 -18.884 1.00 41.54 H new ATOM 0 HB2 ASP A 120 16.692 29.060 -17.001 1.00 51.15 H new ATOM 0 HB3 ASP A 120 16.519 27.630 -16.002 1.00 51.15 H new ATOM 1852 N ALA A 121 14.203 26.507 -16.179 1.00 13.53 N ATOM 1853 CA ALA A 121 13.498 25.444 -15.473 1.00 52.43 C ATOM 1854 C ALA A 121 12.605 24.653 -16.423 1.00 42.24 C ATOM 1855 O ALA A 121 12.507 23.430 -16.326 1.00 65.32 O ATOM 1856 CB ALA A 121 12.675 26.024 -14.332 1.00 73.43 C ATOM 0 H ALA A 121 14.123 27.426 -15.744 1.00 13.53 H new ATOM 0 HA ALA A 121 14.240 24.761 -15.060 1.00 52.43 H new ATOM 0 HB1 ALA A 121 12.154 25.219 -13.814 1.00 73.43 H new ATOM 0 HB2 ALA A 121 13.334 26.539 -13.633 1.00 73.43 H new ATOM 0 HB3 ALA A 121 11.947 26.730 -14.731 1.00 73.43 H new ATOM 1862 N LYS A 122 11.955 25.359 -17.342 1.00 74.01 N ATOM 1863 CA LYS A 122 11.070 24.723 -18.311 1.00 52.41 C ATOM 1864 C LYS A 122 11.872 23.997 -19.386 1.00 21.00 C ATOM 1865 O LYS A 122 11.535 22.881 -19.777 1.00 75.34 O ATOM 1866 CB LYS A 122 10.156 25.766 -18.959 1.00 41.11 C ATOM 1867 CG LYS A 122 9.264 25.199 -20.050 1.00 45.43 C ATOM 1868 CD LYS A 122 9.580 25.814 -21.404 1.00 1.04 C ATOM 1869 CE LYS A 122 8.730 25.201 -22.506 1.00 63.01 C ATOM 1870 NZ LYS A 122 8.948 25.877 -23.815 1.00 61.21 N ATOM 0 H LYS A 122 12.024 26.372 -17.436 1.00 74.01 H new ATOM 0 HA LYS A 122 10.459 23.991 -17.782 1.00 52.41 H new ATOM 0 HB2 LYS A 122 9.531 26.218 -18.189 1.00 41.11 H new ATOM 0 HB3 LYS A 122 10.769 26.563 -19.380 1.00 41.11 H new ATOM 0 HG2 LYS A 122 9.393 24.118 -20.101 1.00 45.43 H new ATOM 0 HG3 LYS A 122 8.219 25.384 -19.800 1.00 45.43 H new ATOM 0 HD2 LYS A 122 9.407 26.890 -21.366 1.00 1.04 H new ATOM 0 HD3 LYS A 122 10.636 25.669 -21.634 1.00 1.04 H new ATOM 0 HE2 LYS A 122 8.967 24.141 -22.601 1.00 63.01 H new ATOM 0 HE3 LYS A 122 7.677 25.269 -22.233 1.00 63.01 H new ATOM 0 HZ1 LYS A 122 8.351 25.430 -24.540 1.00 61.21 H new ATOM 0 HZ2 LYS A 122 8.698 26.883 -23.732 1.00 61.21 H new ATOM 0 HZ3 LYS A 122 9.948 25.790 -24.088 1.00 61.21 H new ATOM 1884 N ASN A 123 12.937 24.638 -19.858 1.00 34.22 N ATOM 1885 CA ASN A 123 13.788 24.052 -20.887 1.00 34.40 C ATOM 1886 C ASN A 123 14.404 22.742 -20.403 1.00 15.42 C ATOM 1887 O ASN A 123 14.866 21.928 -21.203 1.00 5.13 O ATOM 1888 CB ASN A 123 14.893 25.032 -21.284 1.00 1.34 C ATOM 1889 CG ASN A 123 15.437 24.759 -22.672 1.00 44.14 C ATOM 1890 OD1 ASN A 123 14.688 24.426 -23.591 1.00 31.15 O ATOM 1891 ND2 ASN A 123 16.748 24.899 -22.832 1.00 23.00 N ATOM 0 H ASN A 123 13.231 25.563 -19.544 1.00 34.22 H new ATOM 0 HA ASN A 123 13.168 23.841 -21.759 1.00 34.40 H new ATOM 0 HB2 ASN A 123 14.504 26.050 -21.243 1.00 1.34 H new ATOM 0 HB3 ASN A 123 15.706 24.972 -20.560 1.00 1.34 H new ATOM 0 HD21 ASN A 123 17.172 24.729 -23.744 1.00 23.00 H new ATOM 0 HD22 ASN A 123 17.331 25.177 -22.043 1.00 23.00 H new ATOM 1898 N LEU A 124 14.405 22.546 -19.089 1.00 2.20 N ATOM 1899 CA LEU A 124 14.963 21.335 -18.497 1.00 4.40 C ATOM 1900 C LEU A 124 14.412 20.090 -19.183 1.00 61.31 C ATOM 1901 O LEU A 124 15.141 19.371 -19.869 1.00 0.43 O ATOM 1902 CB LEU A 124 14.653 21.286 -17.000 1.00 3.32 C ATOM 1903 CG LEU A 124 15.282 22.390 -16.148 1.00 32.53 C ATOM 1904 CD1 LEU A 124 15.023 22.136 -14.671 1.00 14.22 C ATOM 1905 CD2 LEU A 124 16.776 22.488 -16.420 1.00 32.32 C ATOM 0 H LEU A 124 14.026 23.210 -18.414 1.00 2.20 H new ATOM 0 HA LEU A 124 16.044 21.356 -18.637 1.00 4.40 H new ATOM 0 HB2 LEU A 124 13.571 21.327 -16.872 1.00 3.32 H new ATOM 0 HB3 LEU A 124 14.983 20.322 -16.612 1.00 3.32 H new ATOM 0 HG LEU A 124 14.821 23.340 -16.419 1.00 32.53 H new ATOM 0 HD11 LEU A 124 15.478 22.931 -14.080 1.00 14.22 H new ATOM 0 HD12 LEU A 124 13.949 22.117 -14.488 1.00 14.22 H new ATOM 0 HD13 LEU A 124 15.457 21.178 -14.385 1.00 14.22 H new ATOM 0 HD21 LEU A 124 17.207 23.278 -15.805 1.00 32.32 H new ATOM 0 HD22 LEU A 124 17.253 21.539 -16.177 1.00 32.32 H new ATOM 0 HD23 LEU A 124 16.940 22.717 -17.473 1.00 32.32 H new ATOM 1917 N LEU A 125 13.121 19.840 -18.996 1.00 52.21 N ATOM 1918 CA LEU A 125 12.470 18.682 -19.599 1.00 41.10 C ATOM 1919 C LEU A 125 12.320 18.865 -21.106 1.00 11.01 C ATOM 1920 O LEU A 125 12.322 17.894 -21.862 1.00 63.25 O ATOM 1921 CB LEU A 125 11.098 18.454 -18.962 1.00 41.32 C ATOM 1922 CG LEU A 125 10.771 17.013 -18.571 1.00 74.33 C ATOM 1923 CD1 LEU A 125 10.421 16.927 -17.094 1.00 34.32 C ATOM 1924 CD2 LEU A 125 9.630 16.475 -19.424 1.00 24.14 C ATOM 0 H LEU A 125 12.504 20.424 -18.431 1.00 52.21 H new ATOM 0 HA LEU A 125 13.097 17.809 -19.418 1.00 41.10 H new ATOM 0 HB2 LEU A 125 11.026 19.077 -18.070 1.00 41.32 H new ATOM 0 HB3 LEU A 125 10.334 18.803 -19.657 1.00 41.32 H new ATOM 0 HG LEU A 125 11.653 16.399 -18.750 1.00 74.33 H new ATOM 0 HD11 LEU A 125 10.191 15.894 -16.834 1.00 34.32 H new ATOM 0 HD12 LEU A 125 11.267 17.271 -16.499 1.00 34.32 H new ATOM 0 HD13 LEU A 125 9.554 17.554 -16.888 1.00 34.32 H new ATOM 0 HD21 LEU A 125 9.410 15.448 -19.132 1.00 24.14 H new ATOM 0 HD22 LEU A 125 8.743 17.092 -19.276 1.00 24.14 H new ATOM 0 HD23 LEU A 125 9.918 16.500 -20.475 1.00 24.14 H new ATOM 1936 N ASP A 126 12.191 20.116 -21.535 1.00 25.33 N ATOM 1937 CA ASP A 126 12.044 20.427 -22.952 1.00 33.22 C ATOM 1938 C ASP A 126 13.234 19.904 -23.750 1.00 30.11 C ATOM 1939 O ASP A 126 13.069 19.326 -24.824 1.00 52.14 O ATOM 1940 CB ASP A 126 11.903 21.936 -23.152 1.00 52.45 C ATOM 1941 CG ASP A 126 11.176 22.284 -24.436 1.00 53.54 C ATOM 1942 OD1 ASP A 126 10.153 21.633 -24.734 1.00 20.21 O ATOM 1943 OD2 ASP A 126 11.630 23.208 -25.144 1.00 72.03 O ATOM 0 H ASP A 126 12.185 20.931 -20.922 1.00 25.33 H new ATOM 0 HA ASP A 126 11.142 19.934 -23.315 1.00 33.22 H new ATOM 0 HB2 ASP A 126 11.365 22.363 -22.306 1.00 52.45 H new ATOM 0 HB3 ASP A 126 12.893 22.392 -23.163 1.00 52.45 H new ATOM 1948 N VAL A 127 14.434 20.112 -23.218 1.00 22.34 N ATOM 1949 CA VAL A 127 15.653 19.661 -23.880 1.00 14.51 C ATOM 1950 C VAL A 127 15.730 18.139 -23.912 1.00 41.23 C ATOM 1951 O VAL A 127 15.773 17.533 -24.983 1.00 63.40 O ATOM 1952 CB VAL A 127 16.909 20.214 -23.180 1.00 74.22 C ATOM 1953 CG1 VAL A 127 18.168 19.649 -23.819 1.00 60.14 C ATOM 1954 CG2 VAL A 127 16.916 21.734 -23.222 1.00 12.43 C ATOM 0 H VAL A 127 14.588 20.590 -22.330 1.00 22.34 H new ATOM 0 HA VAL A 127 15.618 20.041 -24.901 1.00 14.51 H new ATOM 0 HB VAL A 127 16.889 19.902 -22.136 1.00 74.22 H new ATOM 0 HG11 VAL A 127 19.045 20.051 -23.312 1.00 60.14 H new ATOM 0 HG12 VAL A 127 18.164 18.562 -23.732 1.00 60.14 H new ATOM 0 HG13 VAL A 127 18.198 19.928 -24.872 1.00 60.14 H new ATOM 0 HG21 VAL A 127 17.810 22.108 -22.723 1.00 12.43 H new ATOM 0 HG22 VAL A 127 16.912 22.069 -24.259 1.00 12.43 H new ATOM 0 HG23 VAL A 127 16.031 22.116 -22.714 1.00 12.43 H new ATOM 1964 N ILE A 128 15.747 17.528 -22.733 1.00 1.04 N ATOM 1965 CA ILE A 128 15.818 16.076 -22.626 1.00 53.11 C ATOM 1966 C ILE A 128 14.698 15.411 -23.420 1.00 43.51 C ATOM 1967 O ILE A 128 14.819 14.260 -23.838 1.00 61.14 O ATOM 1968 CB ILE A 128 15.735 15.615 -21.159 1.00 62.51 C ATOM 1969 CG1 ILE A 128 14.313 15.793 -20.625 1.00 35.31 C ATOM 1970 CG2 ILE A 128 16.728 16.387 -20.304 1.00 45.21 C ATOM 1971 CD1 ILE A 128 14.181 15.498 -19.147 1.00 12.40 C ATOM 0 H ILE A 128 15.713 18.016 -21.838 1.00 1.04 H new ATOM 0 HA ILE A 128 16.781 15.776 -23.039 1.00 53.11 H new ATOM 0 HB ILE A 128 15.991 14.556 -21.112 1.00 62.51 H new ATOM 0 HG12 ILE A 128 13.988 16.816 -20.813 1.00 35.31 H new ATOM 0 HG13 ILE A 128 13.641 15.138 -21.179 1.00 35.31 H new ATOM 0 HG21 ILE A 128 16.657 16.050 -19.270 1.00 45.21 H new ATOM 0 HG22 ILE A 128 17.739 16.214 -20.674 1.00 45.21 H new ATOM 0 HG23 ILE A 128 16.501 17.452 -20.355 1.00 45.21 H new ATOM 0 HD11 ILE A 128 13.146 15.645 -18.838 1.00 12.40 H new ATOM 0 HD12 ILE A 128 14.474 14.466 -18.954 1.00 12.40 H new ATOM 0 HD13 ILE A 128 14.827 16.170 -18.583 1.00 12.40 H new ATOM 1983 N ASP A 129 13.610 16.145 -23.626 1.00 1.24 N ATOM 1984 CA ASP A 129 12.469 15.628 -24.372 1.00 42.45 C ATOM 1985 C ASP A 129 12.913 15.058 -25.716 1.00 33.41 C ATOM 1986 O ASP A 129 12.315 14.110 -26.226 1.00 12.45 O ATOM 1987 CB ASP A 129 11.433 16.732 -24.590 1.00 51.04 C ATOM 1988 CG ASP A 129 10.055 16.338 -24.095 1.00 2.40 C ATOM 1989 OD1 ASP A 129 9.968 15.719 -23.014 1.00 15.33 O ATOM 1990 OD2 ASP A 129 9.065 16.650 -24.788 1.00 55.31 O ATOM 0 H ASP A 129 13.494 17.100 -23.287 1.00 1.24 H new ATOM 0 HA ASP A 129 12.017 14.826 -23.788 1.00 42.45 H new ATOM 0 HB2 ASP A 129 11.756 17.637 -24.075 1.00 51.04 H new ATOM 0 HB3 ASP A 129 11.380 16.972 -25.652 1.00 51.04 H new ATOM 1995 N GLN A 130 13.963 15.641 -26.283 1.00 43.33 N ATOM 1996 CA GLN A 130 14.485 15.191 -27.568 1.00 51.34 C ATOM 1997 C GLN A 130 14.877 13.719 -27.511 1.00 64.40 C ATOM 1998 O GLN A 130 14.746 12.993 -28.496 1.00 22.51 O ATOM 1999 CB GLN A 130 15.692 16.037 -27.977 1.00 51.43 C ATOM 2000 CG GLN A 130 15.407 16.986 -29.131 1.00 65.50 C ATOM 2001 CD GLN A 130 14.820 18.305 -28.671 1.00 34.12 C ATOM 2002 OE1 GLN A 130 15.431 19.030 -27.886 1.00 3.20 O ATOM 2003 NE2 GLN A 130 13.626 18.624 -29.158 1.00 21.50 N ATOM 0 H GLN A 130 14.469 16.426 -25.873 1.00 43.33 H new ATOM 0 HA GLN A 130 13.698 15.310 -28.313 1.00 51.34 H new ATOM 0 HB2 GLN A 130 16.028 16.615 -27.116 1.00 51.43 H new ATOM 0 HB3 GLN A 130 16.512 15.375 -28.256 1.00 51.43 H new ATOM 0 HG2 GLN A 130 16.331 17.175 -29.678 1.00 65.50 H new ATOM 0 HG3 GLN A 130 14.717 16.509 -29.827 1.00 65.50 H new ATOM 0 HE21 GLN A 130 13.155 17.993 -29.807 1.00 21.50 H new ATOM 0 HE22 GLN A 130 13.181 19.500 -28.883 1.00 21.50 H new ATOM 2012 N ALA A 131 15.360 13.285 -26.351 1.00 72.32 N ATOM 2013 CA ALA A 131 15.770 11.898 -26.165 1.00 52.31 C ATOM 2014 C ALA A 131 14.560 10.986 -25.993 1.00 12.41 C ATOM 2015 O ALA A 131 14.517 9.886 -26.544 1.00 15.24 O ATOM 2016 CB ALA A 131 16.698 11.779 -24.966 1.00 21.04 C ATOM 0 H ALA A 131 15.477 13.874 -25.526 1.00 72.32 H new ATOM 0 HA ALA A 131 16.307 11.580 -27.059 1.00 52.31 H new ATOM 0 HB1 ALA A 131 16.996 10.738 -24.839 1.00 21.04 H new ATOM 0 HB2 ALA A 131 17.584 12.393 -25.129 1.00 21.04 H new ATOM 0 HB3 ALA A 131 16.180 12.120 -24.070 1.00 21.04 H new ATOM 2022 N ARG A 132 13.579 11.450 -25.225 1.00 5.51 N ATOM 2023 CA ARG A 132 12.370 10.675 -24.979 1.00 15.23 C ATOM 2024 C ARG A 132 11.757 10.193 -26.290 1.00 72.33 C ATOM 2025 O ARG A 132 11.499 9.001 -26.466 1.00 52.12 O ATOM 2026 CB ARG A 132 11.350 11.513 -24.205 1.00 10.11 C ATOM 2027 CG ARG A 132 10.820 10.827 -22.956 1.00 41.23 C ATOM 2028 CD ARG A 132 9.535 11.477 -22.467 1.00 23.43 C ATOM 2029 NE ARG A 132 8.354 10.703 -22.839 1.00 62.43 N ATOM 2030 CZ ARG A 132 8.017 9.554 -22.264 1.00 14.13 C ATOM 2031 NH1 ARG A 132 8.766 9.049 -21.294 1.00 3.33 N ATOM 2032 NH2 ARG A 132 6.927 8.908 -22.658 1.00 15.20 N ATOM 0 H ARG A 132 13.599 12.359 -24.763 1.00 5.51 H new ATOM 0 HA ARG A 132 12.642 9.804 -24.383 1.00 15.23 H new ATOM 0 HB2 ARG A 132 11.810 12.460 -23.922 1.00 10.11 H new ATOM 0 HB3 ARG A 132 10.513 11.749 -24.862 1.00 10.11 H new ATOM 0 HG2 ARG A 132 10.639 9.773 -23.167 1.00 41.23 H new ATOM 0 HG3 ARG A 132 11.573 10.869 -22.169 1.00 41.23 H new ATOM 0 HD2 ARG A 132 9.572 11.583 -21.383 1.00 23.43 H new ATOM 0 HD3 ARG A 132 9.456 12.481 -22.883 1.00 23.43 H new ATOM 0 HE ARG A 132 7.755 11.065 -23.581 1.00 62.43 H new ATOM 0 HH11 ARG A 132 9.604 9.543 -20.987 1.00 3.33 H new ATOM 0 HH12 ARG A 132 8.504 8.166 -20.855 1.00 3.33 H new ATOM 0 HH21 ARG A 132 6.347 9.294 -23.403 1.00 15.20 H new ATOM 0 HH22 ARG A 132 6.669 8.026 -22.216 1.00 15.20 H new ATOM 2046 N LEU A 133 11.526 11.125 -27.208 1.00 12.34 N ATOM 2047 CA LEU A 133 10.943 10.796 -28.504 1.00 32.14 C ATOM 2048 C LEU A 133 11.868 9.882 -29.301 1.00 21.05 C ATOM 2049 O LEU A 133 11.423 8.910 -29.912 1.00 24.04 O ATOM 2050 CB LEU A 133 10.661 12.073 -29.297 1.00 72.34 C ATOM 2051 CG LEU A 133 9.842 13.144 -28.576 1.00 43.44 C ATOM 2052 CD1 LEU A 133 9.933 14.471 -29.314 1.00 12.31 C ATOM 2053 CD2 LEU A 133 8.392 12.706 -28.440 1.00 74.31 C ATOM 0 H LEU A 133 11.734 12.115 -27.079 1.00 12.34 H new ATOM 0 HA LEU A 133 10.005 10.269 -28.330 1.00 32.14 H new ATOM 0 HB2 LEU A 133 11.614 12.511 -29.593 1.00 72.34 H new ATOM 0 HB3 LEU A 133 10.138 11.800 -30.213 1.00 72.34 H new ATOM 0 HG LEU A 133 10.255 13.278 -27.576 1.00 43.44 H new ATOM 0 HD11 LEU A 133 9.344 15.222 -28.787 1.00 12.31 H new ATOM 0 HD12 LEU A 133 10.974 14.792 -29.359 1.00 12.31 H new ATOM 0 HD13 LEU A 133 9.546 14.352 -30.326 1.00 12.31 H new ATOM 0 HD21 LEU A 133 7.825 13.481 -27.924 1.00 74.31 H new ATOM 0 HD22 LEU A 133 7.967 12.543 -29.430 1.00 74.31 H new ATOM 0 HD23 LEU A 133 8.344 11.780 -27.868 1.00 74.31 H new ATOM 2065 N LYS A 134 13.158 10.199 -29.288 1.00 64.13 N ATOM 2066 CA LYS A 134 14.149 9.405 -30.006 1.00 55.35 C ATOM 2067 C LYS A 134 14.065 7.937 -29.603 1.00 23.30 C ATOM 2068 O LYS A 134 14.405 7.049 -30.384 1.00 61.33 O ATOM 2069 CB LYS A 134 15.556 9.941 -29.735 1.00 21.14 C ATOM 2070 CG LYS A 134 16.022 10.970 -30.750 1.00 62.53 C ATOM 2071 CD LYS A 134 17.319 11.633 -30.318 1.00 21.44 C ATOM 2072 CE LYS A 134 17.361 13.096 -30.729 1.00 43.25 C ATOM 2073 NZ LYS A 134 18.745 13.541 -31.054 1.00 12.42 N ATOM 0 H LYS A 134 13.542 11.001 -28.788 1.00 64.13 H new ATOM 0 HA LYS A 134 13.937 9.483 -31.072 1.00 55.35 H new ATOM 0 HB2 LYS A 134 15.580 10.387 -28.741 1.00 21.14 H new ATOM 0 HB3 LYS A 134 16.258 9.107 -29.727 1.00 21.14 H new ATOM 0 HG2 LYS A 134 16.163 10.489 -31.718 1.00 62.53 H new ATOM 0 HG3 LYS A 134 15.250 11.729 -30.880 1.00 62.53 H new ATOM 0 HD2 LYS A 134 17.426 11.555 -29.236 1.00 21.44 H new ATOM 0 HD3 LYS A 134 18.164 11.105 -30.761 1.00 21.44 H new ATOM 0 HE2 LYS A 134 16.718 13.249 -31.595 1.00 43.25 H new ATOM 0 HE3 LYS A 134 16.961 13.711 -29.923 1.00 43.25 H new ATOM 0 HZ1 LYS A 134 18.732 14.544 -31.330 1.00 12.42 H new ATOM 0 HZ2 LYS A 134 19.354 13.419 -30.220 1.00 12.42 H new ATOM 0 HZ3 LYS A 134 19.117 12.971 -31.840 1.00 12.42 H new ATOM 2087 N MET A 135 13.610 7.689 -28.379 1.00 71.23 N ATOM 2088 CA MET A 135 13.480 6.327 -27.874 1.00 73.01 C ATOM 2089 C MET A 135 12.167 5.700 -28.334 1.00 25.31 C ATOM 2090 O MET A 135 12.150 4.580 -28.847 1.00 3.33 O ATOM 2091 CB MET A 135 13.555 6.318 -26.346 1.00 61.31 C ATOM 2092 CG MET A 135 14.939 5.995 -25.808 1.00 24.51 C ATOM 2093 SD MET A 135 14.894 4.847 -24.418 1.00 71.20 S ATOM 2094 CE MET A 135 13.912 5.777 -23.243 1.00 63.52 C ATOM 0 H MET A 135 13.325 8.413 -27.719 1.00 71.23 H new ATOM 0 HA MET A 135 14.304 5.737 -28.275 1.00 73.01 H new ATOM 0 HB2 MET A 135 13.246 7.293 -25.969 1.00 61.31 H new ATOM 0 HB3 MET A 135 12.844 5.587 -25.960 1.00 61.31 H new ATOM 0 HG2 MET A 135 15.545 5.568 -26.607 1.00 24.51 H new ATOM 0 HG3 MET A 135 15.428 6.918 -25.496 1.00 24.51 H new ATOM 0 HE1 MET A 135 14.041 5.355 -22.246 1.00 63.52 H new ATOM 0 HE2 MET A 135 14.236 6.818 -23.241 1.00 63.52 H new ATOM 0 HE3 MET A 135 12.861 5.725 -23.526 1.00 63.52 H new ATOM 2104 N ILE A 136 11.072 6.427 -28.147 1.00 15.32 N ATOM 2105 CA ILE A 136 9.756 5.941 -28.543 1.00 52.54 C ATOM 2106 C ILE A 136 9.758 5.471 -29.994 1.00 54.41 C ATOM 2107 O ILE A 136 9.470 4.309 -30.281 1.00 44.42 O ATOM 2108 CB ILE A 136 8.678 7.028 -28.369 1.00 44.10 C ATOM 2109 CG1 ILE A 136 8.626 7.496 -26.913 1.00 40.23 C ATOM 2110 CG2 ILE A 136 7.321 6.503 -28.812 1.00 14.54 C ATOM 2111 CD1 ILE A 136 7.850 8.780 -26.719 1.00 4.20 C ATOM 0 H ILE A 136 11.069 7.355 -27.724 1.00 15.32 H new ATOM 0 HA ILE A 136 9.521 5.100 -27.891 1.00 52.54 H new ATOM 0 HB ILE A 136 8.937 7.881 -28.996 1.00 44.10 H new ATOM 0 HG12 ILE A 136 8.175 6.713 -26.304 1.00 40.23 H new ATOM 0 HG13 ILE A 136 9.644 7.637 -26.549 1.00 40.23 H new ATOM 0 HG21 ILE A 136 6.570 7.282 -28.683 1.00 14.54 H new ATOM 0 HG22 ILE A 136 7.368 6.214 -29.862 1.00 14.54 H new ATOM 0 HG23 ILE A 136 7.052 5.636 -28.209 1.00 14.54 H new ATOM 0 HD11 ILE A 136 7.855 9.052 -25.663 1.00 4.20 H new ATOM 0 HD12 ILE A 136 8.313 9.577 -27.301 1.00 4.20 H new ATOM 0 HD13 ILE A 136 6.822 8.638 -27.053 1.00 4.20 H new ATOM 2123 N SER A 137 10.085 6.382 -30.905 1.00 42.21 N ATOM 2124 CA SER A 137 10.123 6.062 -32.327 1.00 71.32 C ATOM 2125 C SER A 137 11.395 5.295 -32.678 1.00 14.13 C ATOM 2126 O SER A 137 12.209 5.756 -33.477 1.00 54.12 O ATOM 2127 CB SER A 137 10.038 7.341 -33.162 1.00 64.22 C ATOM 2128 OG SER A 137 8.795 7.993 -32.972 1.00 32.03 O ATOM 0 H SER A 137 10.327 7.348 -30.684 1.00 42.21 H new ATOM 0 HA SER A 137 9.264 5.430 -32.555 1.00 71.32 H new ATOM 0 HB2 SER A 137 10.851 8.013 -32.887 1.00 64.22 H new ATOM 0 HB3 SER A 137 10.168 7.099 -34.217 1.00 64.22 H new ATOM 0 HG SER A 137 8.767 8.808 -33.515 1.00 32.03 H new ATOM 2228 N ALA A 170 24.320 22.603 -1.893 1.00 43.45 N ATOM 2229 CA ALA A 170 23.240 23.422 -2.429 1.00 73.34 C ATOM 2230 C ALA A 170 22.119 23.589 -1.408 1.00 63.25 C ATOM 2231 O ALA A 170 21.615 24.692 -1.199 1.00 54.53 O ATOM 2232 CB ALA A 170 22.700 22.808 -3.713 1.00 13.32 C ATOM 0 HA ALA A 170 23.643 24.410 -2.652 1.00 73.34 H new ATOM 0 HB1 ALA A 170 21.894 23.430 -4.103 1.00 13.32 H new ATOM 0 HB2 ALA A 170 23.500 22.746 -4.451 1.00 13.32 H new ATOM 0 HB3 ALA A 170 22.319 21.808 -3.506 1.00 13.32 H new ATOM 2238 N THR A 171 21.733 22.486 -0.775 1.00 21.24 N ATOM 2239 CA THR A 171 20.671 22.510 0.223 1.00 21.22 C ATOM 2240 C THR A 171 20.993 23.490 1.345 1.00 11.22 C ATOM 2241 O THR A 171 20.093 24.011 2.005 1.00 71.52 O ATOM 2242 CB THR A 171 20.437 21.113 0.829 1.00 64.13 C ATOM 2243 OG1 THR A 171 21.689 20.521 1.193 1.00 4.44 O ATOM 2244 CG2 THR A 171 19.712 20.210 -0.158 1.00 23.12 C ATOM 0 H THR A 171 22.140 21.565 -0.936 1.00 21.24 H new ATOM 0 HA THR A 171 19.764 22.832 -0.289 1.00 21.22 H new ATOM 0 HB THR A 171 19.817 21.226 1.718 1.00 64.13 H new ATOM 0 HG1 THR A 171 21.532 19.634 1.579 1.00 4.44 H new ATOM 0 HG21 THR A 171 19.558 19.229 0.292 1.00 23.12 H new ATOM 0 HG22 THR A 171 18.747 20.649 -0.411 1.00 23.12 H new ATOM 0 HG23 THR A 171 20.311 20.104 -1.062 1.00 23.12 H new ATOM 2252 N ARG A 172 22.281 23.739 1.556 1.00 23.43 N ATOM 2253 CA ARG A 172 22.721 24.657 2.600 1.00 64.14 C ATOM 2254 C ARG A 172 22.099 26.037 2.407 1.00 30.24 C ATOM 2255 O ARG A 172 21.423 26.552 3.297 1.00 4.33 O ATOM 2256 CB ARG A 172 24.247 24.769 2.599 1.00 0.44 C ATOM 2257 CG ARG A 172 24.950 23.524 3.114 1.00 74.41 C ATOM 2258 CD ARG A 172 25.817 23.833 4.324 1.00 61.00 C ATOM 2259 NE ARG A 172 26.447 22.633 4.867 1.00 22.50 N ATOM 2260 CZ ARG A 172 27.090 22.602 6.029 1.00 64.42 C ATOM 2261 NH1 ARG A 172 27.188 23.699 6.766 1.00 54.41 N ATOM 2262 NH2 ARG A 172 27.638 21.471 6.456 1.00 74.33 N ATOM 0 H ARG A 172 23.038 23.318 1.018 1.00 23.43 H new ATOM 0 HA ARG A 172 22.393 24.260 3.561 1.00 64.14 H new ATOM 0 HB2 ARG A 172 24.587 24.974 1.584 1.00 0.44 H new ATOM 0 HB3 ARG A 172 24.541 25.621 3.212 1.00 0.44 H new ATOM 0 HG2 ARG A 172 24.209 22.770 3.379 1.00 74.41 H new ATOM 0 HG3 ARG A 172 25.567 23.100 2.322 1.00 74.41 H new ATOM 0 HD2 ARG A 172 26.587 24.552 4.044 1.00 61.00 H new ATOM 0 HD3 ARG A 172 25.208 24.303 5.096 1.00 61.00 H new ATOM 0 HE ARG A 172 26.390 21.771 4.324 1.00 22.50 H new ATOM 0 HH11 ARG A 172 26.769 24.571 6.442 1.00 54.41 H new ATOM 0 HH12 ARG A 172 27.682 23.672 7.658 1.00 54.41 H new ATOM 0 HH21 ARG A 172 27.566 20.624 5.892 1.00 74.33 H new ATOM 0 HH22 ARG A 172 28.131 21.449 7.348 1.00 74.33 H new ATOM 2276 N GLU A 173 22.333 26.628 1.240 1.00 14.40 N ATOM 2277 CA GLU A 173 21.796 27.949 0.933 1.00 74.24 C ATOM 2278 C GLU A 173 20.270 27.940 0.980 1.00 44.43 C ATOM 2279 O GLU A 173 19.651 28.825 1.572 1.00 2.20 O ATOM 2280 CB GLU A 173 22.272 28.409 -0.447 1.00 33.12 C ATOM 2281 CG GLU A 173 23.472 29.340 -0.397 1.00 74.24 C ATOM 2282 CD GLU A 173 24.141 29.501 -1.748 1.00 63.43 C ATOM 2283 OE1 GLU A 173 23.609 30.257 -2.588 1.00 35.44 O ATOM 2284 OE2 GLU A 173 25.197 28.871 -1.966 1.00 61.25 O ATOM 0 H GLU A 173 22.890 26.214 0.492 1.00 14.40 H new ATOM 0 HA GLU A 173 22.162 28.646 1.687 1.00 74.24 H new ATOM 0 HB2 GLU A 173 22.526 27.534 -1.045 1.00 33.12 H new ATOM 0 HB3 GLU A 173 21.451 28.915 -0.955 1.00 33.12 H new ATOM 0 HG2 GLU A 173 23.154 30.317 -0.034 1.00 74.24 H new ATOM 0 HG3 GLU A 173 24.197 28.954 0.320 1.00 74.24 H new ATOM 2291 N LEU A 174 19.671 26.935 0.351 1.00 13.41 N ATOM 2292 CA LEU A 174 18.218 26.811 0.320 1.00 74.31 C ATOM 2293 C LEU A 174 17.639 26.830 1.731 1.00 30.41 C ATOM 2294 O LEU A 174 16.697 27.569 2.017 1.00 43.42 O ATOM 2295 CB LEU A 174 17.812 25.519 -0.393 1.00 0.25 C ATOM 2296 CG LEU A 174 18.160 25.435 -1.879 1.00 62.11 C ATOM 2297 CD1 LEU A 174 18.576 24.020 -2.251 1.00 35.14 C ATOM 2298 CD2 LEU A 174 16.982 25.888 -2.729 1.00 61.43 C ATOM 0 H LEU A 174 20.168 26.195 -0.144 1.00 13.41 H new ATOM 0 HA LEU A 174 17.817 27.663 -0.228 1.00 74.31 H new ATOM 0 HB2 LEU A 174 18.286 24.681 0.119 1.00 0.25 H new ATOM 0 HB3 LEU A 174 16.735 25.391 -0.285 1.00 0.25 H new ATOM 0 HG LEU A 174 19.000 26.101 -2.074 1.00 62.11 H new ATOM 0 HD11 LEU A 174 18.820 23.980 -3.313 1.00 35.14 H new ATOM 0 HD12 LEU A 174 19.450 23.732 -1.667 1.00 35.14 H new ATOM 0 HD13 LEU A 174 17.757 23.333 -2.041 1.00 35.14 H new ATOM 0 HD21 LEU A 174 17.248 25.822 -3.784 1.00 61.43 H new ATOM 0 HD22 LEU A 174 16.122 25.248 -2.530 1.00 61.43 H new ATOM 0 HD23 LEU A 174 16.731 26.920 -2.482 1.00 61.43 H new ATOM 2310 N ASP A 175 18.210 26.013 2.610 1.00 51.31 N ATOM 2311 CA ASP A 175 17.753 25.938 3.993 1.00 43.42 C ATOM 2312 C ASP A 175 18.059 27.235 4.737 1.00 60.50 C ATOM 2313 O ASP A 175 17.199 27.783 5.425 1.00 2.31 O ATOM 2314 CB ASP A 175 18.413 24.758 4.707 1.00 22.20 C ATOM 2315 CG ASP A 175 18.132 24.752 6.197 1.00 71.23 C ATOM 2316 OD1 ASP A 175 16.955 24.577 6.578 1.00 24.11 O ATOM 2317 OD2 ASP A 175 19.088 24.921 6.981 1.00 3.03 O ATOM 0 H ASP A 175 18.990 25.394 2.389 1.00 51.31 H new ATOM 0 HA ASP A 175 16.673 25.790 3.986 1.00 43.42 H new ATOM 0 HB2 ASP A 175 18.055 23.826 4.269 1.00 22.20 H new ATOM 0 HB3 ASP A 175 19.490 24.794 4.543 1.00 22.20 H new ATOM 2322 N GLU A 176 19.290 27.717 4.594 1.00 34.12 N ATOM 2323 CA GLU A 176 19.708 28.947 5.255 1.00 44.41 C ATOM 2324 C GLU A 176 18.777 30.102 4.897 1.00 74.42 C ATOM 2325 O GLU A 176 18.153 30.705 5.771 1.00 51.32 O ATOM 2326 CB GLU A 176 21.146 29.298 4.865 1.00 52.21 C ATOM 2327 CG GLU A 176 21.870 30.140 5.902 1.00 14.21 C ATOM 2328 CD GLU A 176 23.304 30.441 5.512 1.00 54.45 C ATOM 2329 OE1 GLU A 176 23.939 29.575 4.875 1.00 20.54 O ATOM 2330 OE2 GLU A 176 23.790 31.543 5.842 1.00 62.22 O ATOM 0 H GLU A 176 20.014 27.275 4.027 1.00 34.12 H new ATOM 0 HA GLU A 176 19.659 28.785 6.332 1.00 44.41 H new ATOM 0 HB2 GLU A 176 21.705 28.376 4.703 1.00 52.21 H new ATOM 0 HB3 GLU A 176 21.135 29.835 3.916 1.00 52.21 H new ATOM 0 HG2 GLU A 176 21.332 31.077 6.044 1.00 14.21 H new ATOM 0 HG3 GLU A 176 21.860 29.619 6.859 1.00 14.21 H new ATOM 2337 N LEU A 177 18.687 30.403 3.606 1.00 4.32 N ATOM 2338 CA LEU A 177 17.832 31.485 3.131 1.00 44.43 C ATOM 2339 C LEU A 177 16.377 31.238 3.515 1.00 41.50 C ATOM 2340 O LEU A 177 15.643 32.172 3.836 1.00 13.30 O ATOM 2341 CB LEU A 177 17.954 31.628 1.613 1.00 52.34 C ATOM 2342 CG LEU A 177 19.124 32.475 1.109 1.00 34.34 C ATOM 2343 CD1 LEU A 177 19.031 33.891 1.654 1.00 14.44 C ATOM 2344 CD2 LEU A 177 20.449 31.837 1.499 1.00 4.40 C ATOM 0 H LEU A 177 19.195 29.913 2.870 1.00 4.32 H new ATOM 0 HA LEU A 177 18.161 32.410 3.605 1.00 44.43 H new ATOM 0 HB2 LEU A 177 18.040 30.631 1.180 1.00 52.34 H new ATOM 0 HB3 LEU A 177 17.028 32.061 1.234 1.00 52.34 H new ATOM 0 HG LEU A 177 19.072 32.523 0.021 1.00 34.34 H new ATOM 0 HD11 LEU A 177 19.871 34.479 1.285 1.00 14.44 H new ATOM 0 HD12 LEU A 177 18.097 34.347 1.325 1.00 14.44 H new ATOM 0 HD13 LEU A 177 19.058 33.864 2.743 1.00 14.44 H new ATOM 0 HD21 LEU A 177 21.271 32.452 1.133 1.00 4.40 H new ATOM 0 HD22 LEU A 177 20.510 31.759 2.585 1.00 4.40 H new ATOM 0 HD23 LEU A 177 20.517 30.842 1.060 1.00 4.40 H new ATOM 2356 N MET A 178 15.968 29.974 3.482 1.00 50.44 N ATOM 2357 CA MET A 178 14.601 29.605 3.830 1.00 60.41 C ATOM 2358 C MET A 178 14.250 30.081 5.236 1.00 43.32 C ATOM 2359 O MET A 178 13.144 30.561 5.481 1.00 73.25 O ATOM 2360 CB MET A 178 14.420 28.089 3.733 1.00 74.43 C ATOM 2361 CG MET A 178 13.080 27.602 4.260 1.00 34.11 C ATOM 2362 SD MET A 178 13.210 26.838 5.888 1.00 20.21 S ATOM 2363 CE MET A 178 12.971 25.112 5.472 1.00 3.13 C ATOM 0 H MET A 178 16.563 29.189 3.218 1.00 50.44 H new ATOM 0 HA MET A 178 13.929 30.091 3.123 1.00 60.41 H new ATOM 0 HB2 MET A 178 14.524 27.785 2.691 1.00 74.43 H new ATOM 0 HB3 MET A 178 15.220 27.600 4.289 1.00 74.43 H new ATOM 0 HG2 MET A 178 12.387 28.442 4.311 1.00 34.11 H new ATOM 0 HG3 MET A 178 12.658 26.883 3.558 1.00 34.11 H new ATOM 0 HE1 MET A 178 13.024 24.509 6.378 1.00 3.13 H new ATOM 0 HE2 MET A 178 11.994 24.982 5.006 1.00 3.13 H new ATOM 0 HE3 MET A 178 13.749 24.794 4.778 1.00 3.13 H new ATOM 2373 N ALA A 179 15.200 29.946 6.156 1.00 73.31 N ATOM 2374 CA ALA A 179 14.991 30.364 7.536 1.00 11.24 C ATOM 2375 C ALA A 179 14.829 31.877 7.633 1.00 44.51 C ATOM 2376 O ALA A 179 13.973 32.375 8.364 1.00 73.43 O ATOM 2377 CB ALA A 179 16.146 29.898 8.410 1.00 43.03 C ATOM 0 H ALA A 179 16.122 29.550 5.970 1.00 73.31 H new ATOM 0 HA ALA A 179 14.070 29.903 7.893 1.00 11.24 H new ATOM 0 HB1 ALA A 179 15.976 30.217 9.438 1.00 43.03 H new ATOM 0 HB2 ALA A 179 16.214 28.811 8.374 1.00 43.03 H new ATOM 0 HB3 ALA A 179 17.077 30.332 8.044 1.00 43.03 H new ATOM 2383 N SER A 180 15.659 32.605 6.891 1.00 33.13 N ATOM 2384 CA SER A 180 15.611 34.062 6.897 1.00 14.30 C ATOM 2385 C SER A 180 14.258 34.563 6.400 1.00 12.22 C ATOM 2386 O SER A 180 13.786 35.624 6.811 1.00 1.15 O ATOM 2387 CB SER A 180 16.730 34.634 6.025 1.00 3.13 C ATOM 2388 OG SER A 180 17.316 35.774 6.630 1.00 20.12 O ATOM 0 H SER A 180 16.372 32.209 6.279 1.00 33.13 H new ATOM 0 HA SER A 180 15.750 34.401 7.924 1.00 14.30 H new ATOM 0 HB2 SER A 180 17.493 33.873 5.861 1.00 3.13 H new ATOM 0 HB3 SER A 180 16.332 34.902 5.046 1.00 3.13 H new ATOM 0 HG SER A 180 18.029 36.120 6.054 1.00 20.12 H new ATOM 2394 N LEU A 181 13.638 33.792 5.513 1.00 3.42 N ATOM 2395 CA LEU A 181 12.339 34.156 4.959 1.00 50.33 C ATOM 2396 C LEU A 181 11.208 33.677 5.862 1.00 33.45 C ATOM 2397 O LEU A 181 10.145 34.295 5.925 1.00 3.13 O ATOM 2398 CB LEU A 181 12.175 33.562 3.559 1.00 44.13 C ATOM 2399 CG LEU A 181 13.113 34.111 2.483 1.00 63.31 C ATOM 2400 CD1 LEU A 181 13.115 33.203 1.263 1.00 52.24 C ATOM 2401 CD2 LEU A 181 12.711 35.527 2.096 1.00 22.44 C ATOM 0 H LEU A 181 14.014 32.911 5.162 1.00 3.42 H new ATOM 0 HA LEU A 181 12.291 35.243 4.894 1.00 50.33 H new ATOM 0 HB2 LEU A 181 12.321 32.484 3.624 1.00 44.13 H new ATOM 0 HB3 LEU A 181 11.147 33.726 3.235 1.00 44.13 H new ATOM 0 HG LEU A 181 14.124 34.141 2.890 1.00 63.31 H new ATOM 0 HD11 LEU A 181 13.788 33.610 0.508 1.00 52.24 H new ATOM 0 HD12 LEU A 181 13.452 32.207 1.551 1.00 52.24 H new ATOM 0 HD13 LEU A 181 12.106 33.141 0.854 1.00 52.24 H new ATOM 0 HD21 LEU A 181 13.390 35.901 1.329 1.00 22.44 H new ATOM 0 HD22 LEU A 181 11.692 35.523 1.708 1.00 22.44 H new ATOM 0 HD23 LEU A 181 12.763 36.172 2.973 1.00 22.44 H new ATOM 2413 N SER A 182 11.444 32.572 6.562 1.00 23.34 N ATOM 2414 CA SER A 182 10.445 32.008 7.462 1.00 33.00 C ATOM 2415 C SER A 182 10.061 33.012 8.545 1.00 30.31 C ATOM 2416 O SER A 182 8.895 33.383 8.678 1.00 52.35 O ATOM 2417 CB SER A 182 10.973 30.724 8.105 1.00 75.13 C ATOM 2418 OG SER A 182 9.959 30.074 8.853 1.00 44.22 O ATOM 0 H SER A 182 12.319 32.049 6.523 1.00 23.34 H new ATOM 0 HA SER A 182 9.556 31.773 6.877 1.00 33.00 H new ATOM 0 HB2 SER A 182 11.346 30.053 7.331 1.00 75.13 H new ATOM 0 HB3 SER A 182 11.815 30.959 8.756 1.00 75.13 H new ATOM 0 HG SER A 182 9.996 30.376 9.785 1.00 44.22 H new ATOM 2424 N ASP A 183 11.051 33.446 9.317 1.00 13.14 N ATOM 2425 CA ASP A 183 10.819 34.408 10.389 1.00 73.31 C ATOM 2426 C ASP A 183 12.137 34.987 10.894 1.00 55.23 C ATOM 2427 O ASP A 183 12.546 36.073 10.482 1.00 45.42 O ATOM 2428 CB ASP A 183 10.063 33.746 11.542 1.00 24.34 C ATOM 2429 CG ASP A 183 10.533 32.328 11.804 1.00 0.21 C ATOM 2430 OD1 ASP A 183 10.024 31.402 11.139 1.00 72.30 O ATOM 2431 OD2 ASP A 183 11.410 32.145 12.673 1.00 4.45 O ATOM 0 H ASP A 183 12.022 33.147 9.221 1.00 13.14 H new ATOM 0 HA ASP A 183 10.215 35.222 9.989 1.00 73.31 H new ATOM 0 HB2 ASP A 183 10.191 34.341 12.446 1.00 24.34 H new ATOM 0 HB3 ASP A 183 8.997 33.736 11.316 1.00 24.34 H new