USER MOD reduce.3.24.130724 H: found=0, std=0, add=1106, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1108 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 138 SER OG : rot -55:sc= 1.78 USER MOD Set 1.2: A 153 ASN : amide:sc= 0.794 K(o=3.5,f=2.2) USER MOD Set 1.3: A 160 TYR OH : rot 127:sc= 0.961 USER MOD Set 2.1: A 67 ASN : amide:sc= -0.441 K(o=-0.35,f=-2.4) USER MOD Set 2.2: A 100 ASN : amide:sc= 0.0923 K(o=-0.35,f=-2.1) USER MOD Set 3.1: A 10 ASN : amide:sc= 0.0372 K(o=2.2,f=-5.2!) USER MOD Set 3.2: A 147 LYS NZ :NH3+ 177:sc= 2.14 (180deg=1.05) USER MOD Single : A 11 TYR OH : rot -47:sc= 1.32 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 ASN : amide:sc= 0.852 K(o=0.85,f=-13!) USER MOD Single : A 21 GLN : amide:sc= 0.517 K(o=0.52,f=-0.037) USER MOD Single : A 24 LYS NZ :NH3+ -141:sc= 1.16 (180deg=0.418) USER MOD Single : A 25 ASN : amide:sc= 0.353 K(o=0.35,f=-3.6!) USER MOD Single : A 27 SER OG : rot 166:sc= 1.67 USER MOD Single : A 30 SER OG : rot -158:sc= 0.85 USER MOD Single : A 32 LYS NZ :NH3+ -137:sc= 2.33 (180deg=-0.13) USER MOD Single : A 43 THR OG1 : rot 57:sc= 0.62 USER MOD Single : A 49 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 114:sc= 0.354 USER MOD Single : A 55 HIS : no HD1:sc= -0.68 X(o=-0.68,f=-0.25) USER MOD Single : A 56 MET CE :methyl 164:sc= 0 (180deg=-0.277) USER MOD Single : A 57 THR OG1 : rot 0:sc= 0.302 USER MOD Single : A 60 GLN : amide:sc= -0.361 K(o=-0.36,f=-5.4!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ -175:sc= 0.968 (180deg=0.534) USER MOD Single : A 64 LYS NZ :NH3+ -172:sc= 1.16 (180deg=1.11) USER MOD Single : A 74 SER OG : rot 98:sc= 1.2 USER MOD Single : A 76 SER OG : rot 161:sc= 1.02 USER MOD Single : A 81 ASN : amide:sc= 2.06 K(o=2.1,f=-0.29) USER MOD Single : A 83 LYS NZ :NH3+ 169:sc= 1.16 (180deg=0.995) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= -0.173 X(o=-0.17,f=0) USER MOD Single : A 88 LYS NZ :NH3+ -140:sc= 0.0461 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= 1.13 K(o=1.1,f=-0.0023) USER MOD Single : A 94 TYR OH : rot 15:sc= 0.914 USER MOD Single : A 97 SER OG : rot 180:sc= -0.0327 USER MOD Single : A 105 THR OG1 : rot -77:sc= 1.4 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 99:sc= 0.306 USER MOD Single : A 109 GLN : amide:sc= -0.732 X(o=-0.73,f=-0.47) USER MOD Single : A 110 SER OG : rot 180:sc= 0.0783 USER MOD Single : A 118 LYS NZ :NH3+ -172:sc= 2.31 (180deg=2.27) USER MOD Single : A 119 SER OG : rot 87:sc= 2.04 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 TYR OH : rot -105:sc= 1.27 USER MOD Single : A 150 LYS NZ :NH3+ -160:sc= 3.25 (180deg=2.47) USER MOD Single : A 152 TYR OH : rot 180:sc= 0 USER MOD Single : A 165 SER OG : rot 87:sc= 0 USER MOD Single : A 168 LYS NZ :NH3+ -147:sc= -2.02! (180deg=-2.9!) USER MOD Single : A 169 SER OG : rot 180:sc= 0 USER MOD Single : A 171 SER OG : rot 180:sc= 0 USER MOD Single : A 172 THR OG1 : rot -47:sc= 0.792 USER MOD ----------------------------------------------------------------- ATOM 112 N ASP A 7 -16.654 -9.824 9.225 1.00 1.69 N ATOM 113 CA ASP A 7 -15.969 -9.489 7.972 1.00 1.21 C ATOM 114 C ASP A 7 -14.458 -9.869 7.967 1.00 0.96 C ATOM 115 O ASP A 7 -13.571 -9.001 8.037 1.00 1.02 O ATOM 116 CB ASP A 7 -16.148 -7.973 7.700 1.00 1.28 C ATOM 117 CG ASP A 7 -15.822 -7.062 8.893 1.00 1.90 C ATOM 118 OD1 ASP A 7 -15.711 -7.577 10.032 1.00 2.71 O ATOM 119 OD2 ASP A 7 -15.703 -5.844 8.654 1.00 2.77 O ATOM 0 HA ASP A 7 -16.424 -10.082 7.179 1.00 1.21 H new ATOM 0 HB2 ASP A 7 -15.512 -7.691 6.861 1.00 1.28 H new ATOM 0 HB3 ASP A 7 -17.178 -7.792 7.394 1.00 1.28 H new ATOM 124 N PRO A 8 -14.106 -11.164 7.838 1.00 1.09 N ATOM 125 CA PRO A 8 -12.741 -11.585 7.553 1.00 1.12 C ATOM 126 C PRO A 8 -12.445 -11.387 6.062 1.00 1.02 C ATOM 127 O PRO A 8 -13.367 -11.360 5.251 1.00 1.52 O ATOM 128 CB PRO A 8 -12.717 -13.078 7.891 1.00 1.51 C ATOM 129 CG PRO A 8 -14.112 -13.524 7.457 1.00 1.71 C ATOM 130 CD PRO A 8 -14.982 -12.325 7.840 1.00 1.52 C ATOM 0 HA PRO A 8 -12.001 -11.019 8.118 1.00 1.12 H new ATOM 0 HB2 PRO A 8 -11.933 -13.606 7.349 1.00 1.51 H new ATOM 0 HB3 PRO A 8 -12.544 -13.253 8.953 1.00 1.51 H new ATOM 0 HG2 PRO A 8 -14.157 -13.732 6.388 1.00 1.71 H new ATOM 0 HG3 PRO A 8 -14.425 -14.432 7.971 1.00 1.71 H new ATOM 0 HD2 PRO A 8 -15.799 -12.196 7.130 1.00 1.52 H new ATOM 0 HD3 PRO A 8 -15.432 -12.470 8.822 1.00 1.52 H new ATOM 138 N LEU A 9 -11.165 -11.291 5.690 1.00 0.73 N ATOM 139 CA LEU A 9 -10.724 -11.355 4.301 1.00 0.66 C ATOM 140 C LEU A 9 -9.487 -12.261 4.215 1.00 0.65 C ATOM 141 O LEU A 9 -8.874 -12.588 5.230 1.00 0.66 O ATOM 142 CB LEU A 9 -10.501 -9.979 3.648 1.00 0.74 C ATOM 143 CG LEU A 9 -10.539 -8.788 4.605 1.00 0.88 C ATOM 144 CD1 LEU A 9 -9.547 -7.740 4.130 1.00 0.96 C ATOM 145 CD2 LEU A 9 -11.949 -8.209 4.694 1.00 0.93 C ATOM 0 H LEU A 9 -10.401 -11.165 6.354 1.00 0.73 H new ATOM 0 HA LEU A 9 -11.532 -11.789 3.712 1.00 0.66 H new ATOM 0 HB2 LEU A 9 -9.535 -9.987 3.143 1.00 0.74 H new ATOM 0 HB3 LEU A 9 -11.261 -9.832 2.881 1.00 0.74 H new ATOM 0 HG LEU A 9 -10.260 -9.117 5.606 1.00 0.88 H new ATOM 0 HD11 LEU A 9 -9.567 -6.886 4.807 1.00 0.96 H new ATOM 0 HD12 LEU A 9 -8.545 -8.168 4.116 1.00 0.96 H new ATOM 0 HD13 LEU A 9 -9.816 -7.413 3.126 1.00 0.96 H new ATOM 0 HD21 LEU A 9 -11.952 -7.363 5.381 1.00 0.93 H new ATOM 0 HD22 LEU A 9 -12.269 -7.876 3.706 1.00 0.93 H new ATOM 0 HD23 LEU A 9 -12.634 -8.974 5.058 1.00 0.93 H new ATOM 157 N ASN A 10 -9.138 -12.681 3.002 1.00 0.71 N ATOM 158 CA ASN A 10 -7.995 -13.485 2.576 1.00 0.81 C ATOM 159 C ASN A 10 -7.554 -12.880 1.240 1.00 0.94 C ATOM 160 O ASN A 10 -7.634 -13.504 0.183 1.00 1.24 O ATOM 161 CB ASN A 10 -8.398 -14.965 2.371 1.00 1.06 C ATOM 162 CG ASN A 10 -8.382 -15.873 3.598 1.00 1.22 C ATOM 163 OD1 ASN A 10 -8.151 -17.075 3.461 1.00 2.35 O ATOM 164 ND2 ASN A 10 -8.541 -15.349 4.806 1.00 1.56 N ATOM 0 H ASN A 10 -9.718 -12.437 2.199 1.00 0.71 H new ATOM 0 HA ASN A 10 -7.203 -13.473 3.325 1.00 0.81 H new ATOM 0 HB2 ASN A 10 -9.403 -14.985 1.950 1.00 1.06 H new ATOM 0 HB3 ASN A 10 -7.731 -15.396 1.624 1.00 1.06 H new ATOM 0 HD21 ASN A 10 -8.472 -15.943 5.633 1.00 1.56 H new ATOM 0 HD22 ASN A 10 -8.732 -14.352 4.908 1.00 1.56 H new ATOM 171 N TYR A 11 -7.110 -11.624 1.266 1.00 0.85 N ATOM 172 CA TYR A 11 -6.705 -10.922 0.054 1.00 1.02 C ATOM 173 C TYR A 11 -5.304 -11.409 -0.311 1.00 0.86 C ATOM 174 O TYR A 11 -4.310 -10.833 0.116 1.00 0.68 O ATOM 175 CB TYR A 11 -6.787 -9.408 0.311 1.00 1.16 C ATOM 176 CG TYR A 11 -7.378 -8.504 -0.758 1.00 1.53 C ATOM 177 CD1 TYR A 11 -7.322 -8.829 -2.127 1.00 1.57 C ATOM 178 CD2 TYR A 11 -8.025 -7.320 -0.355 1.00 3.07 C ATOM 179 CE1 TYR A 11 -8.028 -8.048 -3.061 1.00 1.66 C ATOM 180 CE2 TYR A 11 -8.670 -6.506 -1.301 1.00 3.33 C ATOM 181 CZ TYR A 11 -8.674 -6.867 -2.654 1.00 2.10 C ATOM 182 OH TYR A 11 -9.369 -6.108 -3.545 1.00 2.38 O ATOM 0 H TYR A 11 -7.022 -11.071 2.119 1.00 0.85 H new ATOM 0 HA TYR A 11 -7.359 -11.128 -0.793 1.00 1.02 H new ATOM 0 HB2 TYR A 11 -7.367 -9.261 1.222 1.00 1.16 H new ATOM 0 HB3 TYR A 11 -5.776 -9.055 0.517 1.00 1.16 H new ATOM 0 HD1 TYR A 11 -6.739 -9.675 -2.459 1.00 1.57 H new ATOM 0 HD2 TYR A 11 -8.025 -7.036 0.687 1.00 3.07 H new ATOM 0 HE1 TYR A 11 -8.074 -8.357 -4.095 1.00 1.66 H new ATOM 0 HE2 TYR A 11 -9.164 -5.599 -0.984 1.00 3.33 H new ATOM 0 HH TYR A 11 -8.830 -5.975 -4.352 1.00 2.38 H new ATOM 192 N GLU A 12 -5.233 -12.509 -1.055 1.00 1.00 N ATOM 193 CA GLU A 12 -3.986 -13.207 -1.326 1.00 0.96 C ATOM 194 C GLU A 12 -3.169 -12.403 -2.336 1.00 0.85 C ATOM 195 O GLU A 12 -3.457 -12.410 -3.530 1.00 1.01 O ATOM 196 CB GLU A 12 -4.318 -14.637 -1.773 1.00 1.34 C ATOM 197 CG GLU A 12 -4.729 -15.429 -0.517 1.00 1.94 C ATOM 198 CD GLU A 12 -5.491 -16.716 -0.769 1.00 2.57 C ATOM 199 OE1 GLU A 12 -5.946 -16.913 -1.917 1.00 3.24 O ATOM 200 OE2 GLU A 12 -5.654 -17.459 0.226 1.00 3.28 O ATOM 0 H GLU A 12 -6.048 -12.942 -1.489 1.00 1.00 H new ATOM 0 HA GLU A 12 -3.361 -13.293 -0.437 1.00 0.96 H new ATOM 0 HB2 GLU A 12 -5.126 -14.632 -2.505 1.00 1.34 H new ATOM 0 HB3 GLU A 12 -3.455 -15.099 -2.253 1.00 1.34 H new ATOM 0 HG2 GLU A 12 -3.829 -15.667 0.050 1.00 1.94 H new ATOM 0 HG3 GLU A 12 -5.341 -14.783 0.112 1.00 1.94 H new ATOM 207 N VAL A 13 -2.152 -11.700 -1.827 1.00 0.67 N ATOM 208 CA VAL A 13 -1.290 -10.840 -2.620 1.00 0.65 C ATOM 209 C VAL A 13 -0.345 -11.758 -3.416 1.00 0.77 C ATOM 210 O VAL A 13 0.050 -12.820 -2.933 1.00 0.97 O ATOM 211 CB VAL A 13 -0.556 -9.851 -1.676 1.00 0.59 C ATOM 212 CG1 VAL A 13 0.919 -10.195 -1.524 1.00 2.32 C ATOM 213 CG2 VAL A 13 -0.633 -8.376 -2.064 1.00 1.89 C ATOM 0 H VAL A 13 -1.907 -11.718 -0.837 1.00 0.67 H new ATOM 0 HA VAL A 13 -1.841 -10.225 -3.331 1.00 0.65 H new ATOM 0 HB VAL A 13 -1.102 -9.977 -0.741 1.00 0.59 H new ATOM 0 HG11 VAL A 13 1.393 -9.477 -0.855 1.00 2.32 H new ATOM 0 HG12 VAL A 13 1.018 -11.198 -1.109 1.00 2.32 H new ATOM 0 HG13 VAL A 13 1.404 -10.157 -2.499 1.00 2.32 H new ATOM 0 HG21 VAL A 13 -0.086 -7.779 -1.335 1.00 1.89 H new ATOM 0 HG22 VAL A 13 -0.193 -8.236 -3.051 1.00 1.89 H new ATOM 0 HG23 VAL A 13 -1.676 -8.059 -2.084 1.00 1.89 H new ATOM 223 N GLU A 14 0.017 -11.356 -4.633 1.00 0.92 N ATOM 224 CA GLU A 14 0.878 -12.127 -5.516 1.00 1.07 C ATOM 225 C GLU A 14 2.350 -11.948 -5.105 1.00 0.92 C ATOM 226 O GLU A 14 2.817 -10.809 -5.040 1.00 0.88 O ATOM 227 CB GLU A 14 0.619 -11.679 -6.955 1.00 1.39 C ATOM 228 CG GLU A 14 1.413 -12.461 -8.014 1.00 1.75 C ATOM 229 CD GLU A 14 0.907 -13.879 -8.248 1.00 1.86 C ATOM 230 OE1 GLU A 14 -0.102 -14.264 -7.622 1.00 2.35 O ATOM 231 OE2 GLU A 14 1.481 -14.543 -9.140 1.00 3.01 O ATOM 0 H GLU A 14 -0.287 -10.470 -5.036 1.00 0.92 H new ATOM 0 HA GLU A 14 0.657 -13.192 -5.440 1.00 1.07 H new ATOM 0 HB2 GLU A 14 -0.445 -11.779 -7.168 1.00 1.39 H new ATOM 0 HB3 GLU A 14 0.863 -10.620 -7.043 1.00 1.39 H new ATOM 0 HG2 GLU A 14 1.378 -11.914 -8.956 1.00 1.75 H new ATOM 0 HG3 GLU A 14 2.459 -12.505 -7.710 1.00 1.75 H new ATOM 238 N PRO A 15 3.105 -13.025 -4.828 1.00 0.90 N ATOM 239 CA PRO A 15 4.545 -12.945 -4.619 1.00 0.84 C ATOM 240 C PRO A 15 5.262 -12.381 -5.845 1.00 0.76 C ATOM 241 O PRO A 15 4.931 -12.739 -6.974 1.00 0.79 O ATOM 242 CB PRO A 15 5.008 -14.376 -4.323 1.00 0.89 C ATOM 243 CG PRO A 15 3.739 -15.075 -3.838 1.00 1.02 C ATOM 244 CD PRO A 15 2.642 -14.391 -4.651 1.00 1.02 C ATOM 0 HA PRO A 15 4.782 -12.269 -3.797 1.00 0.84 H new ATOM 0 HB2 PRO A 15 5.415 -14.857 -5.212 1.00 0.89 H new ATOM 0 HB3 PRO A 15 5.790 -14.395 -3.564 1.00 0.89 H new ATOM 0 HG2 PRO A 15 3.772 -16.148 -4.026 1.00 1.02 H new ATOM 0 HG3 PRO A 15 3.589 -14.943 -2.766 1.00 1.02 H new ATOM 0 HD2 PRO A 15 2.495 -14.886 -5.611 1.00 1.02 H new ATOM 0 HD3 PRO A 15 1.686 -14.420 -4.128 1.00 1.02 H new ATOM 252 N PHE A 16 6.264 -11.523 -5.640 1.00 0.69 N ATOM 253 CA PHE A 16 7.076 -10.957 -6.699 1.00 0.62 C ATOM 254 C PHE A 16 8.275 -10.313 -6.010 1.00 0.53 C ATOM 255 O PHE A 16 8.289 -10.239 -4.777 1.00 0.54 O ATOM 256 CB PHE A 16 6.263 -9.936 -7.509 1.00 0.69 C ATOM 257 CG PHE A 16 6.875 -9.583 -8.847 1.00 0.81 C ATOM 258 CD1 PHE A 16 6.795 -10.506 -9.907 1.00 1.96 C ATOM 259 CD2 PHE A 16 7.483 -8.331 -9.052 1.00 1.71 C ATOM 260 CE1 PHE A 16 7.300 -10.169 -11.175 1.00 2.20 C ATOM 261 CE2 PHE A 16 7.989 -7.997 -10.320 1.00 1.80 C ATOM 262 CZ PHE A 16 7.890 -8.910 -11.383 1.00 1.41 C ATOM 0 H PHE A 16 6.532 -11.201 -4.710 1.00 0.69 H new ATOM 0 HA PHE A 16 7.406 -11.714 -7.411 1.00 0.62 H new ATOM 0 HB2 PHE A 16 5.261 -10.333 -7.673 1.00 0.69 H new ATOM 0 HB3 PHE A 16 6.153 -9.025 -6.920 1.00 0.69 H new ATOM 0 HD1 PHE A 16 6.345 -11.474 -9.746 1.00 1.96 H new ATOM 0 HD2 PHE A 16 7.561 -7.628 -8.236 1.00 1.71 H new ATOM 0 HE1 PHE A 16 7.235 -10.876 -11.988 1.00 2.20 H new ATOM 0 HE2 PHE A 16 8.455 -7.036 -10.478 1.00 1.80 H new ATOM 0 HZ PHE A 16 8.267 -8.645 -12.360 1.00 1.41 H new ATOM 272 N THR A 17 9.266 -9.867 -6.787 1.00 0.51 N ATOM 273 CA THR A 17 10.425 -9.155 -6.273 1.00 0.48 C ATOM 274 C THR A 17 10.397 -7.720 -6.789 1.00 0.45 C ATOM 275 O THR A 17 10.438 -7.491 -7.995 1.00 0.64 O ATOM 276 CB THR A 17 11.721 -9.880 -6.647 1.00 0.51 C ATOM 277 OG1 THR A 17 11.634 -11.232 -6.246 1.00 0.58 O ATOM 278 CG2 THR A 17 12.896 -9.254 -5.894 1.00 0.54 C ATOM 0 H THR A 17 9.280 -9.994 -7.799 1.00 0.51 H new ATOM 0 HA THR A 17 10.389 -9.129 -5.184 1.00 0.48 H new ATOM 0 HB THR A 17 11.868 -9.802 -7.724 1.00 0.51 H new ATOM 0 HG1 THR A 17 12.462 -11.698 -6.486 1.00 0.58 H new ATOM 0 HG21 THR A 17 13.817 -9.772 -6.162 1.00 0.54 H new ATOM 0 HG22 THR A 17 12.980 -8.201 -6.162 1.00 0.54 H new ATOM 0 HG23 THR A 17 12.729 -9.343 -4.821 1.00 0.54 H new ATOM 286 N PHE A 18 10.323 -6.766 -5.866 1.00 0.36 N ATOM 287 CA PHE A 18 10.261 -5.341 -6.134 1.00 0.35 C ATOM 288 C PHE A 18 11.623 -4.729 -5.818 1.00 0.37 C ATOM 289 O PHE A 18 12.464 -5.379 -5.192 1.00 0.39 O ATOM 290 CB PHE A 18 9.189 -4.716 -5.231 1.00 0.35 C ATOM 291 CG PHE A 18 7.954 -5.576 -5.021 1.00 0.37 C ATOM 292 CD1 PHE A 18 6.958 -5.633 -6.012 1.00 1.50 C ATOM 293 CD2 PHE A 18 7.865 -6.413 -3.892 1.00 1.60 C ATOM 294 CE1 PHE A 18 5.869 -6.509 -5.862 1.00 1.49 C ATOM 295 CE2 PHE A 18 6.792 -7.310 -3.759 1.00 1.64 C ATOM 296 CZ PHE A 18 5.786 -7.350 -4.739 1.00 0.52 C ATOM 0 H PHE A 18 10.304 -6.979 -4.869 1.00 0.36 H new ATOM 0 HA PHE A 18 10.009 -5.156 -7.178 1.00 0.35 H new ATOM 0 HB2 PHE A 18 9.633 -4.499 -4.260 1.00 0.35 H new ATOM 0 HB3 PHE A 18 8.882 -3.763 -5.661 1.00 0.35 H new ATOM 0 HD1 PHE A 18 7.030 -5.004 -6.887 1.00 1.50 H new ATOM 0 HD2 PHE A 18 8.624 -6.365 -3.126 1.00 1.60 H new ATOM 0 HE1 PHE A 18 5.093 -6.536 -6.613 1.00 1.49 H new ATOM 0 HE2 PHE A 18 6.740 -7.968 -2.904 1.00 1.64 H new ATOM 0 HZ PHE A 18 4.951 -8.026 -4.630 1.00 0.52 H new ATOM 306 N GLN A 19 11.822 -3.462 -6.191 1.00 0.43 N ATOM 307 CA GLN A 19 12.952 -2.670 -5.737 1.00 0.51 C ATOM 308 C GLN A 19 12.432 -1.440 -5.004 1.00 0.57 C ATOM 309 O GLN A 19 11.487 -0.788 -5.465 1.00 0.62 O ATOM 310 CB GLN A 19 13.857 -2.282 -6.905 1.00 0.61 C ATOM 311 CG GLN A 19 14.320 -3.527 -7.674 1.00 0.65 C ATOM 312 CD GLN A 19 15.475 -3.214 -8.615 1.00 1.21 C ATOM 313 OE1 GLN A 19 15.299 -3.148 -9.826 1.00 1.63 O ATOM 314 NE2 GLN A 19 16.674 -3.028 -8.069 1.00 1.86 N ATOM 0 H GLN A 19 11.196 -2.960 -6.821 1.00 0.43 H new ATOM 0 HA GLN A 19 13.558 -3.263 -5.052 1.00 0.51 H new ATOM 0 HB2 GLN A 19 13.322 -1.612 -7.578 1.00 0.61 H new ATOM 0 HB3 GLN A 19 14.724 -1.736 -6.533 1.00 0.61 H new ATOM 0 HG2 GLN A 19 14.626 -4.298 -6.967 1.00 0.65 H new ATOM 0 HG3 GLN A 19 13.485 -3.932 -8.246 1.00 0.65 H new ATOM 0 HE21 GLN A 19 16.789 -3.089 -7.057 1.00 1.86 H new ATOM 0 HE22 GLN A 19 17.478 -2.824 -8.662 1.00 1.86 H new ATOM 323 N ASN A 20 13.038 -1.160 -3.853 1.00 0.63 N ATOM 324 CA ASN A 20 12.707 -0.026 -3.003 1.00 0.70 C ATOM 325 C ASN A 20 13.541 1.213 -3.329 1.00 0.89 C ATOM 326 O ASN A 20 14.463 1.161 -4.141 1.00 1.00 O ATOM 327 CB ASN A 20 12.761 -0.427 -1.520 1.00 0.68 C ATOM 328 CG ASN A 20 14.172 -0.526 -0.964 1.00 0.99 C ATOM 329 OD1 ASN A 20 15.145 -0.304 -1.677 1.00 1.37 O ATOM 330 ND2 ASN A 20 14.293 -0.830 0.320 1.00 1.05 N ATOM 0 H ASN A 20 13.794 -1.733 -3.478 1.00 0.63 H new ATOM 0 HA ASN A 20 11.679 0.266 -3.216 1.00 0.70 H new ATOM 0 HB2 ASN A 20 12.200 0.302 -0.935 1.00 0.68 H new ATOM 0 HB3 ASN A 20 12.262 -1.388 -1.394 1.00 0.68 H new ATOM 0 HD21 ASN A 20 15.218 -0.886 0.746 1.00 1.05 H new ATOM 0 HD22 ASN A 20 13.461 -1.008 0.882 1.00 1.05 H new ATOM 337 N GLN A 21 13.219 2.334 -2.677 1.00 0.99 N ATOM 338 CA GLN A 21 13.918 3.604 -2.848 1.00 1.28 C ATOM 339 C GLN A 21 15.429 3.541 -2.566 1.00 1.42 C ATOM 340 O GLN A 21 16.166 4.399 -3.045 1.00 1.68 O ATOM 341 CB GLN A 21 13.248 4.689 -1.996 1.00 1.53 C ATOM 342 CG GLN A 21 13.268 4.362 -0.494 1.00 1.71 C ATOM 343 CD GLN A 21 12.791 5.535 0.354 1.00 1.49 C ATOM 344 OE1 GLN A 21 12.733 6.671 -0.110 1.00 2.19 O ATOM 345 NE2 GLN A 21 12.458 5.274 1.614 1.00 2.23 N ATOM 0 H GLN A 21 12.453 2.382 -2.006 1.00 0.99 H new ATOM 0 HA GLN A 21 13.836 3.855 -3.905 1.00 1.28 H new ATOM 0 HB2 GLN A 21 13.754 5.640 -2.163 1.00 1.53 H new ATOM 0 HB3 GLN A 21 12.216 4.815 -2.322 1.00 1.53 H new ATOM 0 HG2 GLN A 21 12.634 3.496 -0.303 1.00 1.71 H new ATOM 0 HG3 GLN A 21 14.280 4.088 -0.196 1.00 1.71 H new ATOM 0 HE21 GLN A 21 12.517 4.320 1.970 1.00 2.23 H new ATOM 0 HE22 GLN A 21 12.144 6.028 2.225 1.00 2.23 H new ATOM 354 N ASP A 22 15.898 2.547 -1.802 1.00 1.36 N ATOM 355 CA ASP A 22 17.318 2.341 -1.521 1.00 1.49 C ATOM 356 C ASP A 22 18.011 1.687 -2.730 1.00 1.31 C ATOM 357 O ASP A 22 19.235 1.607 -2.785 1.00 1.30 O ATOM 358 CB ASP A 22 17.429 1.484 -0.247 1.00 1.72 C ATOM 359 CG ASP A 22 18.855 1.154 0.168 1.00 3.09 C ATOM 360 OD1 ASP A 22 19.439 1.943 0.937 1.00 3.64 O ATOM 361 OD2 ASP A 22 19.302 0.031 -0.157 1.00 4.31 O ATOM 0 H ASP A 22 15.292 1.857 -1.358 1.00 1.36 H new ATOM 0 HA ASP A 22 17.825 3.291 -1.352 1.00 1.49 H new ATOM 0 HB2 ASP A 22 16.937 2.008 0.573 1.00 1.72 H new ATOM 0 HB3 ASP A 22 16.884 0.553 -0.402 1.00 1.72 H new ATOM 366 N GLY A 23 17.229 1.236 -3.719 1.00 1.25 N ATOM 367 CA GLY A 23 17.700 0.425 -4.831 1.00 1.21 C ATOM 368 C GLY A 23 17.812 -1.037 -4.403 1.00 1.17 C ATOM 369 O GLY A 23 18.426 -1.844 -5.097 1.00 1.32 O ATOM 0 H GLY A 23 16.229 1.434 -3.762 1.00 1.25 H new ATOM 0 HA2 GLY A 23 17.013 0.514 -5.673 1.00 1.21 H new ATOM 0 HA3 GLY A 23 18.670 0.788 -5.171 1.00 1.21 H new ATOM 373 N LYS A 24 17.210 -1.384 -3.262 1.00 1.08 N ATOM 374 CA LYS A 24 17.348 -2.672 -2.624 1.00 1.06 C ATOM 375 C LYS A 24 16.228 -3.560 -3.141 1.00 0.87 C ATOM 376 O LYS A 24 15.068 -3.142 -3.186 1.00 0.78 O ATOM 377 CB LYS A 24 17.281 -2.486 -1.101 1.00 1.24 C ATOM 378 CG LYS A 24 18.420 -3.198 -0.370 1.00 1.35 C ATOM 379 CD LYS A 24 18.226 -3.096 1.153 1.00 1.79 C ATOM 380 CE LYS A 24 19.554 -2.868 1.888 1.00 2.45 C ATOM 381 NZ LYS A 24 20.014 -1.464 1.775 1.00 4.41 N ATOM 0 H LYS A 24 16.597 -0.749 -2.751 1.00 1.08 H new ATOM 0 HA LYS A 24 18.305 -3.141 -2.853 1.00 1.06 H new ATOM 0 HB2 LYS A 24 17.313 -1.422 -0.867 1.00 1.24 H new ATOM 0 HB3 LYS A 24 16.327 -2.864 -0.734 1.00 1.24 H new ATOM 0 HG2 LYS A 24 18.454 -4.246 -0.669 1.00 1.35 H new ATOM 0 HG3 LYS A 24 19.375 -2.755 -0.652 1.00 1.35 H new ATOM 0 HD2 LYS A 24 17.542 -2.277 1.377 1.00 1.79 H new ATOM 0 HD3 LYS A 24 17.760 -4.010 1.521 1.00 1.79 H new ATOM 0 HE2 LYS A 24 19.436 -3.128 2.940 1.00 2.45 H new ATOM 0 HE3 LYS A 24 20.314 -3.533 1.479 1.00 2.45 H new ATOM 0 HZ1 LYS A 24 21.046 -1.446 1.651 1.00 4.41 H new ATOM 0 HZ2 LYS A 24 19.558 -1.014 0.955 1.00 4.41 H new ATOM 0 HZ3 LYS A 24 19.760 -0.945 2.640 1.00 4.41 H new ATOM 395 N ASN A 25 16.586 -4.778 -3.539 1.00 0.87 N ATOM 396 CA ASN A 25 15.644 -5.777 -4.005 1.00 0.79 C ATOM 397 C ASN A 25 14.957 -6.382 -2.786 1.00 0.79 C ATOM 398 O ASN A 25 15.627 -6.757 -1.825 1.00 0.95 O ATOM 399 CB ASN A 25 16.373 -6.854 -4.819 1.00 0.85 C ATOM 400 CG ASN A 25 17.446 -7.568 -3.999 1.00 2.22 C ATOM 401 OD1 ASN A 25 18.397 -6.935 -3.547 1.00 3.00 O ATOM 402 ND2 ASN A 25 17.314 -8.877 -3.802 1.00 3.26 N ATOM 0 H ASN A 25 17.555 -5.098 -3.545 1.00 0.87 H new ATOM 0 HA ASN A 25 14.898 -5.324 -4.658 1.00 0.79 H new ATOM 0 HB2 ASN A 25 15.650 -7.584 -5.183 1.00 0.85 H new ATOM 0 HB3 ASN A 25 16.832 -6.396 -5.695 1.00 0.85 H new ATOM 0 HD21 ASN A 25 18.015 -9.385 -3.262 1.00 3.26 H new ATOM 0 HD22 ASN A 25 16.512 -9.373 -4.191 1.00 3.26 H new ATOM 409 N VAL A 26 13.629 -6.448 -2.811 1.00 0.63 N ATOM 410 CA VAL A 26 12.823 -6.950 -1.711 1.00 0.53 C ATOM 411 C VAL A 26 11.709 -7.811 -2.302 1.00 0.48 C ATOM 412 O VAL A 26 11.025 -7.386 -3.231 1.00 0.51 O ATOM 413 CB VAL A 26 12.294 -5.782 -0.853 1.00 0.53 C ATOM 414 CG1 VAL A 26 13.414 -5.175 0.002 1.00 1.10 C ATOM 415 CG2 VAL A 26 11.654 -4.659 -1.678 1.00 0.93 C ATOM 0 H VAL A 26 13.076 -6.147 -3.613 1.00 0.63 H new ATOM 0 HA VAL A 26 13.417 -7.568 -1.037 1.00 0.53 H new ATOM 0 HB VAL A 26 11.522 -6.219 -0.220 1.00 0.53 H new ATOM 0 HG11 VAL A 26 13.013 -4.354 0.597 1.00 1.10 H new ATOM 0 HG12 VAL A 26 13.820 -5.939 0.665 1.00 1.10 H new ATOM 0 HG13 VAL A 26 14.205 -4.800 -0.647 1.00 1.10 H new ATOM 0 HG21 VAL A 26 11.304 -3.871 -1.011 1.00 0.93 H new ATOM 0 HG22 VAL A 26 12.391 -4.249 -2.368 1.00 0.93 H new ATOM 0 HG23 VAL A 26 10.811 -5.057 -2.242 1.00 0.93 H new ATOM 425 N SER A 27 11.560 -9.036 -1.796 1.00 0.53 N ATOM 426 CA SER A 27 10.533 -9.979 -2.214 1.00 0.53 C ATOM 427 C SER A 27 9.475 -10.064 -1.125 1.00 0.49 C ATOM 428 O SER A 27 9.716 -9.665 0.015 1.00 0.47 O ATOM 429 CB SER A 27 11.178 -11.347 -2.485 1.00 0.57 C ATOM 430 OG SER A 27 10.209 -12.375 -2.591 1.00 2.30 O ATOM 0 H SER A 27 12.168 -9.405 -1.065 1.00 0.53 H new ATOM 0 HA SER A 27 10.054 -9.647 -3.135 1.00 0.53 H new ATOM 0 HB2 SER A 27 11.759 -11.299 -3.406 1.00 0.57 H new ATOM 0 HB3 SER A 27 11.875 -11.586 -1.681 1.00 0.57 H new ATOM 0 HG SER A 27 10.622 -13.175 -2.977 1.00 2.30 H new ATOM 436 N LEU A 28 8.325 -10.662 -1.443 1.00 0.53 N ATOM 437 CA LEU A 28 7.419 -11.135 -0.416 1.00 0.58 C ATOM 438 C LEU A 28 8.161 -12.041 0.571 1.00 0.55 C ATOM 439 O LEU A 28 7.884 -12.003 1.765 1.00 0.65 O ATOM 440 CB LEU A 28 6.235 -11.868 -1.052 1.00 0.66 C ATOM 441 CG LEU A 28 4.912 -11.257 -0.575 1.00 0.59 C ATOM 442 CD1 LEU A 28 4.618 -9.949 -1.323 1.00 0.96 C ATOM 443 CD2 LEU A 28 3.789 -12.264 -0.802 1.00 0.99 C ATOM 0 H LEU A 28 8.008 -10.825 -2.399 1.00 0.53 H new ATOM 0 HA LEU A 28 7.032 -10.279 0.136 1.00 0.58 H new ATOM 0 HB2 LEU A 28 6.301 -11.806 -2.138 1.00 0.66 H new ATOM 0 HB3 LEU A 28 6.270 -12.926 -0.790 1.00 0.66 H new ATOM 0 HG LEU A 28 4.985 -11.025 0.488 1.00 0.59 H new ATOM 0 HD11 LEU A 28 3.675 -9.532 -0.970 1.00 0.96 H new ATOM 0 HD12 LEU A 28 5.422 -9.236 -1.139 1.00 0.96 H new ATOM 0 HD13 LEU A 28 4.548 -10.149 -2.392 1.00 0.96 H new ATOM 0 HD21 LEU A 28 2.844 -11.837 -0.465 1.00 0.99 H new ATOM 0 HD22 LEU A 28 3.722 -12.501 -1.864 1.00 0.99 H new ATOM 0 HD23 LEU A 28 3.997 -13.174 -0.239 1.00 0.99 H new ATOM 455 N GLU A 29 9.134 -12.823 0.093 1.00 0.53 N ATOM 456 CA GLU A 29 9.988 -13.640 0.942 1.00 0.60 C ATOM 457 C GLU A 29 10.676 -12.793 2.020 1.00 0.56 C ATOM 458 O GLU A 29 10.865 -13.244 3.145 1.00 0.65 O ATOM 459 CB GLU A 29 11.008 -14.353 0.067 1.00 0.72 C ATOM 460 CG GLU A 29 10.363 -15.284 -0.971 1.00 0.96 C ATOM 461 CD GLU A 29 11.340 -15.572 -2.099 1.00 2.34 C ATOM 462 OE1 GLU A 29 11.580 -14.613 -2.865 1.00 3.21 O ATOM 463 OE2 GLU A 29 11.832 -16.717 -2.161 1.00 3.37 O ATOM 0 H GLU A 29 9.348 -12.903 -0.901 1.00 0.53 H new ATOM 0 HA GLU A 29 9.379 -14.378 1.464 1.00 0.60 H new ATOM 0 HB2 GLU A 29 11.618 -13.611 -0.448 1.00 0.72 H new ATOM 0 HB3 GLU A 29 11.679 -14.933 0.700 1.00 0.72 H new ATOM 0 HG2 GLU A 29 10.061 -16.217 -0.495 1.00 0.96 H new ATOM 0 HG3 GLU A 29 9.460 -14.823 -1.371 1.00 0.96 H new ATOM 470 N SER A 30 11.023 -11.547 1.684 1.00 0.51 N ATOM 471 CA SER A 30 11.616 -10.578 2.592 1.00 0.59 C ATOM 472 C SER A 30 10.640 -10.061 3.661 1.00 0.58 C ATOM 473 O SER A 30 11.037 -9.218 4.465 1.00 0.78 O ATOM 474 CB SER A 30 12.241 -9.440 1.796 1.00 0.72 C ATOM 475 OG SER A 30 12.822 -9.914 0.591 1.00 1.56 O ATOM 0 H SER A 30 10.892 -11.180 0.741 1.00 0.51 H new ATOM 0 HA SER A 30 12.397 -11.094 3.150 1.00 0.59 H new ATOM 0 HB2 SER A 30 11.481 -8.693 1.567 1.00 0.72 H new ATOM 0 HB3 SER A 30 13.002 -8.946 2.400 1.00 0.72 H new ATOM 0 HG SER A 30 13.496 -9.275 0.279 1.00 1.56 H new ATOM 481 N LEU A 31 9.359 -10.449 3.591 1.00 0.49 N ATOM 482 CA LEU A 31 8.281 -9.982 4.456 1.00 0.52 C ATOM 483 C LEU A 31 7.500 -11.137 5.110 1.00 0.57 C ATOM 484 O LEU A 31 6.938 -10.969 6.192 1.00 0.74 O ATOM 485 CB LEU A 31 7.335 -9.122 3.608 1.00 0.54 C ATOM 486 CG LEU A 31 8.042 -7.953 2.903 1.00 0.62 C ATOM 487 CD1 LEU A 31 7.140 -7.371 1.816 1.00 0.69 C ATOM 488 CD2 LEU A 31 8.407 -6.866 3.915 1.00 0.73 C ATOM 0 H LEU A 31 9.038 -11.126 2.899 1.00 0.49 H new ATOM 0 HA LEU A 31 8.717 -9.405 5.272 1.00 0.52 H new ATOM 0 HB2 LEU A 31 6.856 -9.752 2.859 1.00 0.54 H new ATOM 0 HB3 LEU A 31 6.544 -8.727 4.246 1.00 0.54 H new ATOM 0 HG LEU A 31 8.957 -8.326 2.442 1.00 0.62 H new ATOM 0 HD11 LEU A 31 7.651 -6.544 1.323 1.00 0.69 H new ATOM 0 HD12 LEU A 31 6.909 -8.143 1.082 1.00 0.69 H new ATOM 0 HD13 LEU A 31 6.215 -7.010 2.266 1.00 0.69 H new ATOM 0 HD21 LEU A 31 8.907 -6.044 3.402 1.00 0.73 H new ATOM 0 HD22 LEU A 31 7.501 -6.496 4.395 1.00 0.73 H new ATOM 0 HD23 LEU A 31 9.074 -7.281 4.671 1.00 0.73 H new ATOM 500 N LYS A 32 7.417 -12.299 4.454 1.00 0.62 N ATOM 501 CA LYS A 32 6.697 -13.459 4.961 1.00 0.79 C ATOM 502 C LYS A 32 7.151 -13.797 6.386 1.00 0.93 C ATOM 503 O LYS A 32 8.328 -13.650 6.708 1.00 1.29 O ATOM 504 CB LYS A 32 6.842 -14.635 4.006 1.00 1.05 C ATOM 505 CG LYS A 32 5.628 -15.559 4.179 1.00 1.30 C ATOM 506 CD LYS A 32 5.622 -16.508 2.994 1.00 1.78 C ATOM 507 CE LYS A 32 4.501 -17.563 3.061 1.00 1.96 C ATOM 508 NZ LYS A 32 3.349 -17.214 2.201 1.00 2.84 N ATOM 0 H LYS A 32 7.855 -12.457 3.546 1.00 0.62 H new ATOM 0 HA LYS A 32 5.634 -13.223 5.017 1.00 0.79 H new ATOM 0 HB2 LYS A 32 6.905 -14.281 2.977 1.00 1.05 H new ATOM 0 HB3 LYS A 32 7.764 -15.179 4.213 1.00 1.05 H new ATOM 0 HG2 LYS A 32 5.694 -16.112 5.116 1.00 1.30 H new ATOM 0 HG3 LYS A 32 4.705 -14.981 4.215 1.00 1.30 H new ATOM 0 HD2 LYS A 32 5.513 -15.931 2.076 1.00 1.78 H new ATOM 0 HD3 LYS A 32 6.585 -17.015 2.939 1.00 1.78 H new ATOM 0 HE2 LYS A 32 4.898 -18.532 2.757 1.00 1.96 H new ATOM 0 HE3 LYS A 32 4.164 -17.666 4.092 1.00 1.96 H new ATOM 0 HZ1 LYS A 32 2.464 -17.402 2.713 1.00 2.84 H new ATOM 0 HZ2 LYS A 32 3.396 -16.206 1.950 1.00 2.84 H new ATOM 0 HZ3 LYS A 32 3.376 -17.788 1.334 1.00 2.84 H new ATOM 522 N GLY A 33 6.220 -14.213 7.250 1.00 0.87 N ATOM 523 CA GLY A 33 6.479 -14.364 8.674 1.00 0.99 C ATOM 524 C GLY A 33 6.018 -13.134 9.460 1.00 0.95 C ATOM 525 O GLY A 33 5.468 -13.288 10.548 1.00 1.06 O ATOM 0 H GLY A 33 5.267 -14.453 6.976 1.00 0.87 H new ATOM 0 HA2 GLY A 33 5.964 -15.250 9.047 1.00 0.99 H new ATOM 0 HA3 GLY A 33 7.545 -14.523 8.836 1.00 0.99 H new ATOM 529 N GLU A 34 6.212 -11.929 8.913 1.00 0.86 N ATOM 530 CA GLU A 34 5.973 -10.676 9.618 1.00 0.92 C ATOM 531 C GLU A 34 4.634 -10.058 9.192 1.00 0.88 C ATOM 532 O GLU A 34 4.202 -10.217 8.056 1.00 1.00 O ATOM 533 CB GLU A 34 7.169 -9.753 9.341 1.00 0.92 C ATOM 534 CG GLU A 34 8.454 -10.305 9.981 1.00 1.22 C ATOM 535 CD GLU A 34 8.417 -10.248 11.504 1.00 2.28 C ATOM 536 OE1 GLU A 34 8.482 -9.116 12.030 1.00 3.33 O ATOM 537 OE2 GLU A 34 8.313 -11.330 12.117 1.00 3.18 O ATOM 0 H GLU A 34 6.543 -11.801 7.957 1.00 0.86 H new ATOM 0 HA GLU A 34 5.893 -10.840 10.693 1.00 0.92 H new ATOM 0 HB2 GLU A 34 7.311 -9.649 8.265 1.00 0.92 H new ATOM 0 HB3 GLU A 34 6.962 -8.757 9.733 1.00 0.92 H new ATOM 0 HG2 GLU A 34 8.601 -11.337 9.662 1.00 1.22 H new ATOM 0 HG3 GLU A 34 9.310 -9.735 9.620 1.00 1.22 H new ATOM 544 N VAL A 35 3.948 -9.361 10.103 1.00 0.72 N ATOM 545 CA VAL A 35 2.659 -8.717 9.840 1.00 0.64 C ATOM 546 C VAL A 35 2.896 -7.328 9.263 1.00 0.56 C ATOM 547 O VAL A 35 2.706 -6.301 9.911 1.00 0.56 O ATOM 548 CB VAL A 35 1.791 -8.753 11.107 1.00 0.69 C ATOM 549 CG1 VAL A 35 2.411 -8.126 12.366 1.00 0.76 C ATOM 550 CG2 VAL A 35 0.391 -8.185 10.859 1.00 0.64 C ATOM 0 H VAL A 35 4.279 -9.227 11.059 1.00 0.72 H new ATOM 0 HA VAL A 35 2.090 -9.260 9.085 1.00 0.64 H new ATOM 0 HB VAL A 35 1.719 -9.818 11.329 1.00 0.69 H new ATOM 0 HG11 VAL A 35 1.710 -8.209 13.197 1.00 0.76 H new ATOM 0 HG12 VAL A 35 3.334 -8.649 12.617 1.00 0.76 H new ATOM 0 HG13 VAL A 35 2.630 -7.075 12.179 1.00 0.76 H new ATOM 0 HG21 VAL A 35 -0.188 -8.230 11.781 1.00 0.64 H new ATOM 0 HG22 VAL A 35 0.472 -7.149 10.531 1.00 0.64 H new ATOM 0 HG23 VAL A 35 -0.108 -8.772 10.088 1.00 0.64 H new ATOM 560 N TRP A 36 3.359 -7.309 8.018 1.00 0.64 N ATOM 561 CA TRP A 36 3.782 -6.092 7.372 1.00 0.58 C ATOM 562 C TRP A 36 2.557 -5.328 6.879 1.00 0.52 C ATOM 563 O TRP A 36 1.549 -5.916 6.481 1.00 0.52 O ATOM 564 CB TRP A 36 4.787 -6.429 6.268 1.00 0.52 C ATOM 565 CG TRP A 36 4.287 -7.287 5.152 1.00 0.46 C ATOM 566 CD1 TRP A 36 4.149 -8.630 5.148 1.00 0.47 C ATOM 567 CD2 TRP A 36 3.917 -6.853 3.822 1.00 0.41 C ATOM 568 NE1 TRP A 36 3.717 -9.050 3.912 1.00 0.43 N ATOM 569 CE2 TRP A 36 3.613 -7.994 3.027 1.00 0.42 C ATOM 570 CE3 TRP A 36 3.840 -5.594 3.211 1.00 0.40 C ATOM 571 CZ2 TRP A 36 3.279 -7.881 1.667 1.00 0.43 C ATOM 572 CZ3 TRP A 36 3.447 -5.465 1.869 1.00 0.41 C ATOM 573 CH2 TRP A 36 3.214 -6.601 1.090 1.00 0.43 C ATOM 0 H TRP A 36 3.448 -8.142 7.436 1.00 0.64 H new ATOM 0 HA TRP A 36 4.297 -5.432 8.070 1.00 0.58 H new ATOM 0 HB2 TRP A 36 5.153 -5.495 5.843 1.00 0.52 H new ATOM 0 HB3 TRP A 36 5.642 -6.927 6.725 1.00 0.52 H new ATOM 0 HD1 TRP A 36 4.348 -9.277 5.989 1.00 0.47 H new ATOM 0 HE1 TRP A 36 3.501 -10.019 3.678 1.00 0.43 H new ATOM 0 HE3 TRP A 36 4.087 -4.710 3.781 1.00 0.40 H new ATOM 0 HZ2 TRP A 36 3.076 -8.762 1.076 1.00 0.43 H new ATOM 0 HZ3 TRP A 36 3.324 -4.483 1.437 1.00 0.41 H new ATOM 0 HH2 TRP A 36 2.983 -6.495 0.040 1.00 0.43 H new ATOM 584 N LEU A 37 2.623 -4.002 6.956 1.00 0.54 N ATOM 585 CA LEU A 37 1.529 -3.150 6.544 1.00 0.52 C ATOM 586 C LEU A 37 1.764 -2.729 5.094 1.00 0.49 C ATOM 587 O LEU A 37 2.895 -2.755 4.616 1.00 0.41 O ATOM 588 CB LEU A 37 1.417 -1.947 7.484 1.00 0.54 C ATOM 589 CG LEU A 37 1.169 -2.240 8.982 1.00 0.46 C ATOM 590 CD1 LEU A 37 0.417 -1.037 9.568 1.00 0.64 C ATOM 591 CD2 LEU A 37 0.307 -3.481 9.239 1.00 0.60 C ATOM 0 H LEU A 37 3.437 -3.496 7.306 1.00 0.54 H new ATOM 0 HA LEU A 37 0.581 -3.685 6.601 1.00 0.52 H new ATOM 0 HB2 LEU A 37 2.336 -1.367 7.401 1.00 0.54 H new ATOM 0 HB3 LEU A 37 0.606 -1.313 7.125 1.00 0.54 H new ATOM 0 HG LEU A 37 2.142 -2.418 9.439 1.00 0.46 H new ATOM 0 HD11 LEU A 37 0.224 -1.209 10.627 1.00 0.64 H new ATOM 0 HD12 LEU A 37 1.022 -0.138 9.451 1.00 0.64 H new ATOM 0 HD13 LEU A 37 -0.530 -0.909 9.043 1.00 0.64 H new ATOM 0 HD21 LEU A 37 0.179 -3.619 10.313 1.00 0.60 H new ATOM 0 HD22 LEU A 37 -0.669 -3.350 8.771 1.00 0.60 H new ATOM 0 HD23 LEU A 37 0.797 -4.358 8.816 1.00 0.60 H new ATOM 603 N ALA A 38 0.704 -2.362 4.377 1.00 0.63 N ATOM 604 CA ALA A 38 0.754 -2.022 2.967 1.00 0.55 C ATOM 605 C ALA A 38 -0.238 -0.902 2.685 1.00 0.60 C ATOM 606 O ALA A 38 -1.238 -0.746 3.391 1.00 1.13 O ATOM 607 CB ALA A 38 0.444 -3.273 2.140 1.00 0.60 C ATOM 0 H ALA A 38 -0.233 -2.293 4.775 1.00 0.63 H new ATOM 0 HA ALA A 38 1.748 -1.669 2.692 1.00 0.55 H new ATOM 0 HB1 ALA A 38 0.480 -3.026 1.079 1.00 0.60 H new ATOM 0 HB2 ALA A 38 1.182 -4.045 2.358 1.00 0.60 H new ATOM 0 HB3 ALA A 38 -0.551 -3.640 2.394 1.00 0.60 H new ATOM 613 N ASP A 39 0.058 -0.149 1.627 1.00 0.58 N ATOM 614 CA ASP A 39 -0.795 0.845 1.010 1.00 0.84 C ATOM 615 C ASP A 39 -0.337 0.973 -0.446 1.00 1.04 C ATOM 616 O ASP A 39 0.622 0.315 -0.858 1.00 1.79 O ATOM 617 CB ASP A 39 -0.741 2.174 1.779 1.00 1.15 C ATOM 618 CG ASP A 39 0.607 2.875 1.683 1.00 2.44 C ATOM 619 OD1 ASP A 39 0.966 3.252 0.549 1.00 4.06 O ATOM 620 OD2 ASP A 39 1.247 3.061 2.740 1.00 2.68 O ATOM 0 H ASP A 39 0.958 -0.228 1.154 1.00 0.58 H new ATOM 0 HA ASP A 39 -1.843 0.547 1.037 1.00 0.84 H new ATOM 0 HB2 ASP A 39 -1.516 2.838 1.396 1.00 1.15 H new ATOM 0 HB3 ASP A 39 -0.971 1.988 2.828 1.00 1.15 H new ATOM 625 N PHE A 40 -1.053 1.777 -1.230 1.00 0.85 N ATOM 626 CA PHE A 40 -0.715 2.087 -2.607 1.00 0.93 C ATOM 627 C PHE A 40 -1.253 3.491 -2.872 1.00 0.93 C ATOM 628 O PHE A 40 -2.433 3.737 -2.636 1.00 1.11 O ATOM 629 CB PHE A 40 -1.288 1.018 -3.558 1.00 1.09 C ATOM 630 CG PHE A 40 -2.807 0.905 -3.623 1.00 1.16 C ATOM 631 CD1 PHE A 40 -3.535 0.391 -2.532 1.00 1.68 C ATOM 632 CD2 PHE A 40 -3.506 1.391 -4.747 1.00 2.51 C ATOM 633 CE1 PHE A 40 -4.939 0.491 -2.509 1.00 1.83 C ATOM 634 CE2 PHE A 40 -4.908 1.490 -4.725 1.00 2.85 C ATOM 635 CZ PHE A 40 -5.620 1.086 -3.586 1.00 1.94 C ATOM 0 H PHE A 40 -1.905 2.240 -0.912 1.00 0.85 H new ATOM 0 HA PHE A 40 0.360 2.073 -2.785 1.00 0.93 H new ATOM 0 HB2 PHE A 40 -0.918 1.223 -4.563 1.00 1.09 H new ATOM 0 HB3 PHE A 40 -0.887 0.049 -3.262 1.00 1.09 H new ATOM 0 HD1 PHE A 40 -3.015 -0.081 -1.711 1.00 1.68 H new ATOM 0 HD2 PHE A 40 -2.961 1.689 -5.630 1.00 2.51 H new ATOM 0 HE1 PHE A 40 -5.493 0.111 -1.664 1.00 1.83 H new ATOM 0 HE2 PHE A 40 -5.436 1.877 -5.584 1.00 2.85 H new ATOM 0 HZ PHE A 40 -6.689 1.232 -3.536 1.00 1.94 H new ATOM 645 N ILE A 41 -0.399 4.427 -3.298 1.00 0.79 N ATOM 646 CA ILE A 41 -0.790 5.815 -3.518 1.00 0.79 C ATOM 647 C ILE A 41 -0.028 6.426 -4.695 1.00 0.65 C ATOM 648 O ILE A 41 1.046 5.955 -5.080 1.00 0.62 O ATOM 649 CB ILE A 41 -0.649 6.669 -2.234 1.00 0.96 C ATOM 650 CG1 ILE A 41 0.486 6.249 -1.283 1.00 1.31 C ATOM 651 CG2 ILE A 41 -1.962 6.672 -1.437 1.00 1.51 C ATOM 652 CD1 ILE A 41 1.883 6.297 -1.907 1.00 1.48 C ATOM 0 H ILE A 41 0.583 4.239 -3.499 1.00 0.79 H new ATOM 0 HA ILE A 41 -1.849 5.816 -3.778 1.00 0.79 H new ATOM 0 HB ILE A 41 -0.397 7.662 -2.605 1.00 0.96 H new ATOM 0 HG12 ILE A 41 0.470 6.899 -0.408 1.00 1.31 H new ATOM 0 HG13 ILE A 41 0.293 5.236 -0.931 1.00 1.31 H new ATOM 0 HG21 ILE A 41 -1.841 7.278 -0.539 1.00 1.51 H new ATOM 0 HG22 ILE A 41 -2.760 7.089 -2.051 1.00 1.51 H new ATOM 0 HG23 ILE A 41 -2.218 5.651 -1.154 1.00 1.51 H new ATOM 0 HD11 ILE A 41 2.622 5.986 -1.169 1.00 1.48 H new ATOM 0 HD12 ILE A 41 1.922 5.625 -2.764 1.00 1.48 H new ATOM 0 HD13 ILE A 41 2.101 7.314 -2.233 1.00 1.48 H new ATOM 664 N PHE A 42 -0.631 7.469 -5.271 1.00 0.69 N ATOM 665 CA PHE A 42 -0.075 8.375 -6.266 1.00 0.67 C ATOM 666 C PHE A 42 0.129 9.705 -5.538 1.00 0.69 C ATOM 667 O PHE A 42 -0.652 10.037 -4.644 1.00 1.11 O ATOM 668 CB PHE A 42 -1.044 8.518 -7.457 1.00 0.75 C ATOM 669 CG PHE A 42 -2.531 8.521 -7.096 1.00 0.80 C ATOM 670 CD1 PHE A 42 -3.217 7.302 -6.946 1.00 2.02 C ATOM 671 CD2 PHE A 42 -3.228 9.727 -6.875 1.00 2.08 C ATOM 672 CE1 PHE A 42 -4.597 7.277 -6.681 1.00 2.17 C ATOM 673 CE2 PHE A 42 -4.607 9.703 -6.578 1.00 2.06 C ATOM 674 CZ PHE A 42 -5.300 8.479 -6.510 1.00 1.08 C ATOM 0 H PHE A 42 -1.592 7.716 -5.033 1.00 0.69 H new ATOM 0 HA PHE A 42 0.865 8.011 -6.681 1.00 0.67 H new ATOM 0 HB2 PHE A 42 -0.813 9.445 -7.982 1.00 0.75 H new ATOM 0 HB3 PHE A 42 -0.858 7.701 -8.155 1.00 0.75 H new ATOM 0 HD1 PHE A 42 -2.675 6.372 -7.036 1.00 2.02 H new ATOM 0 HD2 PHE A 42 -2.705 10.670 -6.933 1.00 2.08 H new ATOM 0 HE1 PHE A 42 -5.116 6.333 -6.609 1.00 2.17 H new ATOM 0 HE2 PHE A 42 -5.134 10.629 -6.402 1.00 2.06 H new ATOM 0 HZ PHE A 42 -6.364 8.466 -6.328 1.00 1.08 H new ATOM 684 N THR A 43 1.196 10.435 -5.858 1.00 0.69 N ATOM 685 CA THR A 43 1.663 11.570 -5.075 1.00 0.82 C ATOM 686 C THR A 43 2.190 12.634 -6.035 1.00 1.21 C ATOM 687 O THR A 43 3.402 12.827 -6.143 1.00 2.78 O ATOM 688 CB THR A 43 2.753 11.103 -4.095 1.00 1.27 C ATOM 689 OG1 THR A 43 3.847 10.537 -4.788 1.00 2.11 O ATOM 690 CG2 THR A 43 2.231 10.073 -3.093 1.00 2.57 C ATOM 0 H THR A 43 1.767 10.249 -6.682 1.00 0.69 H new ATOM 0 HA THR A 43 0.851 11.998 -4.488 1.00 0.82 H new ATOM 0 HB THR A 43 3.071 11.992 -3.551 1.00 1.27 H new ATOM 0 HG1 THR A 43 4.207 11.192 -5.422 1.00 2.11 H new ATOM 0 HG21 THR A 43 3.038 9.775 -2.424 1.00 2.57 H new ATOM 0 HG22 THR A 43 1.420 10.510 -2.511 1.00 2.57 H new ATOM 0 HG23 THR A 43 1.863 9.198 -3.629 1.00 2.57 H new ATOM 771 N CYS A 49 -4.761 17.748 -0.248 1.00 1.29 N ATOM 772 CA CYS A 49 -5.649 18.397 0.706 1.00 1.23 C ATOM 773 C CYS A 49 -6.036 17.467 1.863 1.00 1.06 C ATOM 774 O CYS A 49 -5.791 17.827 3.016 1.00 1.09 O ATOM 775 CB CYS A 49 -6.862 19.004 -0.006 1.00 1.42 C ATOM 776 SG CYS A 49 -8.025 19.591 1.249 1.00 1.86 S ATOM 0 HA CYS A 49 -5.103 19.221 1.166 1.00 1.23 H new ATOM 0 HB2 CYS A 49 -6.551 19.827 -0.650 1.00 1.42 H new ATOM 0 HB3 CYS A 49 -7.338 18.261 -0.646 1.00 1.42 H new ATOM 0 HG CYS A 49 -9.064 20.113 0.668 1.00 1.86 H new ATOM 782 N PRO A 50 -6.640 16.288 1.627 1.00 1.08 N ATOM 783 CA PRO A 50 -6.982 15.394 2.717 1.00 1.10 C ATOM 784 C PRO A 50 -5.706 14.745 3.271 1.00 0.89 C ATOM 785 O PRO A 50 -4.690 14.675 2.576 1.00 0.84 O ATOM 786 CB PRO A 50 -7.927 14.354 2.107 1.00 1.39 C ATOM 787 CG PRO A 50 -7.421 14.246 0.671 1.00 1.43 C ATOM 788 CD PRO A 50 -6.980 15.674 0.351 1.00 1.24 C ATOM 0 HA PRO A 50 -7.459 15.908 3.552 1.00 1.10 H new ATOM 0 HB2 PRO A 50 -7.871 13.399 2.630 1.00 1.39 H new ATOM 0 HB3 PRO A 50 -8.967 14.678 2.147 1.00 1.39 H new ATOM 0 HG2 PRO A 50 -6.595 13.540 0.587 1.00 1.43 H new ATOM 0 HG3 PRO A 50 -8.203 13.904 -0.007 1.00 1.43 H new ATOM 0 HD2 PRO A 50 -6.123 15.675 -0.323 1.00 1.24 H new ATOM 0 HD3 PRO A 50 -7.778 16.226 -0.147 1.00 1.24 H new ATOM 796 N PRO A 51 -5.749 14.241 4.512 1.00 0.90 N ATOM 797 CA PRO A 51 -4.655 13.479 5.088 1.00 0.76 C ATOM 798 C PRO A 51 -4.345 12.251 4.219 1.00 0.75 C ATOM 799 O PRO A 51 -5.171 11.348 4.075 1.00 1.33 O ATOM 800 CB PRO A 51 -5.117 13.117 6.502 1.00 0.92 C ATOM 801 CG PRO A 51 -6.642 13.204 6.448 1.00 1.08 C ATOM 802 CD PRO A 51 -6.884 14.304 5.421 1.00 1.14 C ATOM 0 HA PRO A 51 -3.721 14.039 5.130 1.00 0.76 H new ATOM 0 HB2 PRO A 51 -4.787 12.116 6.782 1.00 0.92 H new ATOM 0 HB3 PRO A 51 -4.707 13.806 7.241 1.00 0.92 H new ATOM 0 HG2 PRO A 51 -7.090 12.259 6.141 1.00 1.08 H new ATOM 0 HG3 PRO A 51 -7.067 13.457 7.419 1.00 1.08 H new ATOM 0 HD2 PRO A 51 -7.822 14.146 4.889 1.00 1.14 H new ATOM 0 HD3 PRO A 51 -6.950 15.281 5.900 1.00 1.14 H new ATOM 810 N MET A 52 -3.141 12.212 3.645 1.00 0.81 N ATOM 811 CA MET A 52 -2.600 11.021 3.016 1.00 0.91 C ATOM 812 C MET A 52 -1.785 10.262 4.058 1.00 0.95 C ATOM 813 O MET A 52 -2.297 9.348 4.708 1.00 1.16 O ATOM 814 CB MET A 52 -1.778 11.374 1.770 1.00 1.11 C ATOM 815 CG MET A 52 -2.657 11.811 0.593 1.00 1.35 C ATOM 816 SD MET A 52 -1.737 11.943 -0.962 1.00 2.04 S ATOM 817 CE MET A 52 -3.050 12.413 -2.105 1.00 2.13 C ATOM 0 H MET A 52 -2.515 13.016 3.607 1.00 0.81 H new ATOM 0 HA MET A 52 -3.408 10.380 2.663 1.00 0.91 H new ATOM 0 HB2 MET A 52 -1.079 12.174 2.014 1.00 1.11 H new ATOM 0 HB3 MET A 52 -1.183 10.510 1.474 1.00 1.11 H new ATOM 0 HG2 MET A 52 -3.471 11.096 0.469 1.00 1.35 H new ATOM 0 HG3 MET A 52 -3.112 12.775 0.823 1.00 1.35 H new ATOM 0 HE1 MET A 52 -2.636 12.531 -3.106 1.00 2.13 H new ATOM 0 HE2 MET A 52 -3.816 11.637 -2.118 1.00 2.13 H new ATOM 0 HE3 MET A 52 -3.494 13.355 -1.782 1.00 2.13 H new ATOM 827 N THR A 53 -0.523 10.659 4.250 1.00 0.93 N ATOM 828 CA THR A 53 0.417 9.884 5.037 1.00 0.97 C ATOM 829 C THR A 53 0.215 10.120 6.544 1.00 0.98 C ATOM 830 O THR A 53 0.826 9.436 7.353 1.00 1.50 O ATOM 831 CB THR A 53 1.824 10.180 4.494 1.00 1.25 C ATOM 832 OG1 THR A 53 2.107 9.322 3.406 1.00 1.81 O ATOM 833 CG2 THR A 53 2.933 10.114 5.535 1.00 2.24 C ATOM 0 H THR A 53 -0.135 11.520 3.864 1.00 0.93 H new ATOM 0 HA THR A 53 0.251 8.811 4.935 1.00 0.97 H new ATOM 0 HB THR A 53 1.808 11.219 4.164 1.00 1.25 H new ATOM 0 HG1 THR A 53 2.177 9.850 2.583 1.00 1.81 H new ATOM 0 HG21 THR A 53 3.890 10.336 5.062 1.00 2.24 H new ATOM 0 HG22 THR A 53 2.738 10.844 6.321 1.00 2.24 H new ATOM 0 HG23 THR A 53 2.966 9.114 5.968 1.00 2.24 H new ATOM 841 N ALA A 54 -0.669 11.041 6.946 1.00 0.93 N ATOM 842 CA ALA A 54 -0.966 11.326 8.348 1.00 0.91 C ATOM 843 C ALA A 54 -1.265 10.040 9.128 1.00 0.82 C ATOM 844 O ALA A 54 -0.846 9.858 10.269 1.00 1.05 O ATOM 845 CB ALA A 54 -2.168 12.274 8.418 1.00 0.94 C ATOM 0 H ALA A 54 -1.204 11.615 6.294 1.00 0.93 H new ATOM 0 HA ALA A 54 -0.093 11.793 8.804 1.00 0.91 H new ATOM 0 HB1 ALA A 54 -2.398 12.493 9.461 1.00 0.94 H new ATOM 0 HB2 ALA A 54 -1.931 13.201 7.896 1.00 0.94 H new ATOM 0 HB3 ALA A 54 -3.031 11.803 7.947 1.00 0.94 H new ATOM 851 N HIS A 55 -2.013 9.139 8.494 1.00 0.69 N ATOM 852 CA HIS A 55 -2.394 7.869 9.080 1.00 0.63 C ATOM 853 C HIS A 55 -1.162 6.985 9.149 1.00 0.62 C ATOM 854 O HIS A 55 -0.791 6.503 10.209 1.00 0.62 O ATOM 855 CB HIS A 55 -3.506 7.251 8.235 1.00 0.74 C ATOM 856 CG HIS A 55 -4.542 8.279 7.880 1.00 0.91 C ATOM 857 ND1 HIS A 55 -4.829 8.718 6.609 1.00 1.26 N ATOM 858 CD2 HIS A 55 -5.243 9.052 8.767 1.00 0.93 C ATOM 859 CE1 HIS A 55 -5.761 9.675 6.728 1.00 1.38 C ATOM 860 NE2 HIS A 55 -6.025 9.934 8.018 1.00 1.20 N ATOM 0 H HIS A 55 -2.372 9.278 7.549 1.00 0.69 H new ATOM 0 HA HIS A 55 -2.778 7.992 10.092 1.00 0.63 H new ATOM 0 HB2 HIS A 55 -3.083 6.825 7.325 1.00 0.74 H new ATOM 0 HB3 HIS A 55 -3.973 6.432 8.783 1.00 0.74 H new ATOM 0 HD2 HIS A 55 -5.199 8.991 9.844 1.00 0.93 H new ATOM 0 HE1 HIS A 55 -6.236 10.172 5.895 1.00 1.38 H new ATOM 0 HE2 HIS A 55 -6.670 10.637 8.380 1.00 1.20 H new ATOM 868 N MET A 56 -0.511 6.792 8.003 1.00 0.66 N ATOM 869 CA MET A 56 0.761 6.108 7.916 1.00 0.71 C ATOM 870 C MET A 56 1.764 6.561 8.987 1.00 0.70 C ATOM 871 O MET A 56 2.432 5.707 9.553 1.00 0.69 O ATOM 872 CB MET A 56 1.332 6.173 6.496 1.00 0.86 C ATOM 873 CG MET A 56 0.508 5.434 5.425 1.00 0.95 C ATOM 874 SD MET A 56 -0.965 6.274 4.784 1.00 1.47 S ATOM 875 CE MET A 56 -1.607 5.011 3.672 1.00 1.96 C ATOM 0 H MET A 56 -0.864 7.114 7.102 1.00 0.66 H new ATOM 0 HA MET A 56 0.571 5.057 8.136 1.00 0.71 H new ATOM 0 HB2 MET A 56 1.422 7.220 6.205 1.00 0.86 H new ATOM 0 HB3 MET A 56 2.340 5.758 6.507 1.00 0.86 H new ATOM 0 HG2 MET A 56 1.166 5.217 4.583 1.00 0.95 H new ATOM 0 HG3 MET A 56 0.196 4.476 5.841 1.00 0.95 H new ATOM 0 HE1 MET A 56 -2.641 5.242 3.417 1.00 1.96 H new ATOM 0 HE2 MET A 56 -1.006 4.987 2.763 1.00 1.96 H new ATOM 0 HE3 MET A 56 -1.563 4.038 4.162 1.00 1.96 H new ATOM 885 N THR A 57 1.886 7.854 9.303 1.00 0.77 N ATOM 886 CA THR A 57 2.776 8.330 10.354 1.00 0.87 C ATOM 887 C THR A 57 2.235 7.991 11.734 1.00 0.81 C ATOM 888 O THR A 57 2.976 7.475 12.576 1.00 0.91 O ATOM 889 CB THR A 57 3.046 9.831 10.226 1.00 1.01 C ATOM 890 OG1 THR A 57 1.849 10.559 10.106 1.00 1.96 O ATOM 891 CG2 THR A 57 3.879 10.075 8.978 1.00 1.33 C ATOM 0 H THR A 57 1.368 8.597 8.834 1.00 0.77 H new ATOM 0 HA THR A 57 3.727 7.811 10.230 1.00 0.87 H new ATOM 0 HB THR A 57 3.569 10.161 11.123 1.00 1.01 H new ATOM 0 HG1 THR A 57 1.087 9.943 10.130 1.00 1.96 H new ATOM 0 HG21 THR A 57 4.078 11.142 8.876 1.00 1.33 H new ATOM 0 HG22 THR A 57 4.823 9.536 9.059 1.00 1.33 H new ATOM 0 HG23 THR A 57 3.334 9.722 8.102 1.00 1.33 H new ATOM 899 N ASP A 58 0.950 8.280 11.969 1.00 0.71 N ATOM 900 CA ASP A 58 0.311 7.905 13.220 1.00 0.74 C ATOM 901 C ASP A 58 0.583 6.430 13.530 1.00 0.74 C ATOM 902 O ASP A 58 0.914 6.057 14.659 1.00 0.90 O ATOM 903 CB ASP A 58 -1.191 8.168 13.209 1.00 0.76 C ATOM 904 CG ASP A 58 -1.776 7.631 14.505 1.00 1.98 C ATOM 905 OD1 ASP A 58 -1.350 8.093 15.583 1.00 2.84 O ATOM 906 OD2 ASP A 58 -2.467 6.591 14.448 1.00 3.34 O ATOM 0 H ASP A 58 0.343 8.768 11.311 1.00 0.71 H new ATOM 0 HA ASP A 58 0.743 8.531 14.001 1.00 0.74 H new ATOM 0 HB2 ASP A 58 -1.389 9.236 13.116 1.00 0.76 H new ATOM 0 HB3 ASP A 58 -1.656 7.681 12.352 1.00 0.76 H new ATOM 911 N LEU A 59 0.439 5.594 12.505 1.00 0.63 N ATOM 912 CA LEU A 59 0.726 4.177 12.587 1.00 0.61 C ATOM 913 C LEU A 59 2.230 3.933 12.693 1.00 0.68 C ATOM 914 O LEU A 59 2.613 3.112 13.513 1.00 0.81 O ATOM 915 CB LEU A 59 0.047 3.374 11.466 1.00 0.54 C ATOM 916 CG LEU A 59 -1.389 2.959 11.835 1.00 0.67 C ATOM 917 CD1 LEU A 59 -2.354 4.095 11.525 1.00 1.07 C ATOM 918 CD2 LEU A 59 -1.820 1.701 11.073 1.00 0.87 C ATOM 0 H LEU A 59 0.115 5.892 11.585 1.00 0.63 H new ATOM 0 HA LEU A 59 0.283 3.796 13.507 1.00 0.61 H new ATOM 0 HB2 LEU A 59 0.028 3.971 10.554 1.00 0.54 H new ATOM 0 HB3 LEU A 59 0.637 2.483 11.251 1.00 0.54 H new ATOM 0 HG LEU A 59 -1.409 2.738 12.902 1.00 0.67 H new ATOM 0 HD11 LEU A 59 -3.368 3.793 11.789 1.00 1.07 H new ATOM 0 HD12 LEU A 59 -2.076 4.977 12.102 1.00 1.07 H new ATOM 0 HD13 LEU A 59 -2.310 4.329 10.461 1.00 1.07 H new ATOM 0 HD21 LEU A 59 -2.838 1.435 11.356 1.00 0.87 H new ATOM 0 HD22 LEU A 59 -1.780 1.894 10.001 1.00 0.87 H new ATOM 0 HD23 LEU A 59 -1.148 0.879 11.319 1.00 0.87 H new ATOM 930 N GLN A 60 3.090 4.635 11.944 1.00 0.64 N ATOM 931 CA GLN A 60 4.544 4.461 11.992 1.00 0.66 C ATOM 932 C GLN A 60 5.043 4.528 13.441 1.00 0.68 C ATOM 933 O GLN A 60 5.937 3.791 13.857 1.00 0.72 O ATOM 934 CB GLN A 60 5.275 5.478 11.095 1.00 0.69 C ATOM 935 CG GLN A 60 6.785 5.211 10.917 1.00 0.92 C ATOM 936 CD GLN A 60 7.104 4.015 10.016 1.00 1.36 C ATOM 937 OE1 GLN A 60 6.402 3.013 10.012 1.00 3.02 O ATOM 938 NE2 GLN A 60 8.158 4.106 9.210 1.00 1.52 N ATOM 0 H GLN A 60 2.790 5.348 11.280 1.00 0.64 H new ATOM 0 HA GLN A 60 4.775 3.472 11.596 1.00 0.66 H new ATOM 0 HB2 GLN A 60 4.802 5.482 10.113 1.00 0.69 H new ATOM 0 HB3 GLN A 60 5.143 6.475 11.516 1.00 0.69 H new ATOM 0 HG2 GLN A 60 7.254 6.102 10.500 1.00 0.92 H new ATOM 0 HG3 GLN A 60 7.232 5.044 11.897 1.00 0.92 H new ATOM 0 HE21 GLN A 60 8.737 4.946 9.221 1.00 1.52 H new ATOM 0 HE22 GLN A 60 8.387 3.336 8.581 1.00 1.52 H new ATOM 947 N LYS A 61 4.433 5.418 14.226 1.00 0.70 N ATOM 948 CA LYS A 61 4.721 5.529 15.645 1.00 0.75 C ATOM 949 C LYS A 61 4.460 4.215 16.390 1.00 0.75 C ATOM 950 O LYS A 61 5.281 3.802 17.204 1.00 0.96 O ATOM 951 CB LYS A 61 3.922 6.693 16.230 1.00 0.81 C ATOM 952 CG LYS A 61 4.454 7.099 17.612 1.00 0.80 C ATOM 953 CD LYS A 61 3.908 8.467 18.051 1.00 0.96 C ATOM 954 CE LYS A 61 4.580 9.631 17.300 1.00 2.41 C ATOM 955 NZ LYS A 61 4.025 10.942 17.693 1.00 2.92 N ATOM 0 H LYS A 61 3.729 6.076 13.892 1.00 0.70 H new ATOM 0 HA LYS A 61 5.784 5.734 15.774 1.00 0.75 H new ATOM 0 HB2 LYS A 61 3.972 7.547 15.554 1.00 0.81 H new ATOM 0 HB3 LYS A 61 2.872 6.411 16.311 1.00 0.81 H new ATOM 0 HG2 LYS A 61 4.175 6.343 18.346 1.00 0.80 H new ATOM 0 HG3 LYS A 61 5.543 7.133 17.587 1.00 0.80 H new ATOM 0 HD2 LYS A 61 2.832 8.499 17.879 1.00 0.96 H new ATOM 0 HD3 LYS A 61 4.063 8.591 19.123 1.00 0.96 H new ATOM 0 HE2 LYS A 61 5.652 9.618 17.497 1.00 2.41 H new ATOM 0 HE3 LYS A 61 4.452 9.491 16.227 1.00 2.41 H new ATOM 0 HZ1 LYS A 61 4.507 11.696 17.163 1.00 2.92 H new ATOM 0 HZ2 LYS A 61 3.007 10.966 17.481 1.00 2.92 H new ATOM 0 HZ3 LYS A 61 4.170 11.089 18.712 1.00 2.92 H new ATOM 969 N LYS A 62 3.320 3.568 16.123 1.00 0.66 N ATOM 970 CA LYS A 62 3.017 2.252 16.680 1.00 0.68 C ATOM 971 C LYS A 62 3.974 1.212 16.098 1.00 0.62 C ATOM 972 O LYS A 62 4.544 0.430 16.847 1.00 0.72 O ATOM 973 CB LYS A 62 1.550 1.844 16.436 1.00 0.84 C ATOM 974 CG LYS A 62 0.600 2.264 17.569 1.00 1.46 C ATOM 975 CD LYS A 62 0.247 3.758 17.570 1.00 2.83 C ATOM 976 CE LYS A 62 -0.890 4.053 16.581 1.00 4.14 C ATOM 977 NZ LYS A 62 -1.084 5.499 16.369 1.00 6.19 N ATOM 0 H LYS A 62 2.588 3.942 15.519 1.00 0.66 H new ATOM 0 HA LYS A 62 3.155 2.304 17.760 1.00 0.68 H new ATOM 0 HB2 LYS A 62 1.208 2.290 15.502 1.00 0.84 H new ATOM 0 HB3 LYS A 62 1.498 0.762 16.311 1.00 0.84 H new ATOM 0 HG2 LYS A 62 -0.320 1.684 17.491 1.00 1.46 H new ATOM 0 HG3 LYS A 62 1.057 2.009 18.525 1.00 1.46 H new ATOM 0 HD2 LYS A 62 -0.049 4.065 18.573 1.00 2.83 H new ATOM 0 HD3 LYS A 62 1.127 4.344 17.304 1.00 2.83 H new ATOM 0 HE2 LYS A 62 -0.672 3.574 15.627 1.00 4.14 H new ATOM 0 HE3 LYS A 62 -1.816 3.615 16.954 1.00 4.14 H new ATOM 0 HZ1 LYS A 62 -1.914 5.653 15.762 1.00 6.19 H new ATOM 0 HZ2 LYS A 62 -1.234 5.967 17.285 1.00 6.19 H new ATOM 0 HZ3 LYS A 62 -0.241 5.899 15.910 1.00 6.19 H new ATOM 991 N LEU A 63 4.161 1.212 14.776 1.00 0.54 N ATOM 992 CA LEU A 63 5.023 0.293 14.043 1.00 0.49 C ATOM 993 C LEU A 63 6.340 0.057 14.756 1.00 0.53 C ATOM 994 O LEU A 63 6.770 -1.082 14.833 1.00 0.56 O ATOM 995 CB LEU A 63 5.320 0.805 12.640 1.00 0.54 C ATOM 996 CG LEU A 63 4.533 0.122 11.520 1.00 0.88 C ATOM 997 CD1 LEU A 63 4.704 -1.398 11.461 1.00 1.42 C ATOM 998 CD2 LEU A 63 3.052 0.489 11.570 1.00 1.44 C ATOM 0 H LEU A 63 3.694 1.882 14.165 1.00 0.54 H new ATOM 0 HA LEU A 63 4.475 -0.647 13.983 1.00 0.49 H new ATOM 0 HB2 LEU A 63 5.112 1.875 12.609 1.00 0.54 H new ATOM 0 HB3 LEU A 63 6.385 0.681 12.443 1.00 0.54 H new ATOM 0 HG LEU A 63 4.969 0.510 10.599 1.00 0.88 H new ATOM 0 HD11 LEU A 63 4.112 -1.799 10.639 1.00 1.42 H new ATOM 0 HD12 LEU A 63 5.755 -1.640 11.303 1.00 1.42 H new ATOM 0 HD13 LEU A 63 4.367 -1.839 12.399 1.00 1.42 H new ATOM 0 HD21 LEU A 63 2.525 -0.015 10.760 1.00 1.44 H new ATOM 0 HD22 LEU A 63 2.632 0.176 12.526 1.00 1.44 H new ATOM 0 HD23 LEU A 63 2.941 1.568 11.460 1.00 1.44 H new ATOM 1010 N LYS A 64 6.995 1.091 15.283 1.00 0.63 N ATOM 1011 CA LYS A 64 8.255 0.883 15.993 1.00 0.77 C ATOM 1012 C LYS A 64 8.169 -0.194 17.092 1.00 0.86 C ATOM 1013 O LYS A 64 9.140 -0.910 17.324 1.00 0.96 O ATOM 1014 CB LYS A 64 8.838 2.220 16.477 1.00 0.98 C ATOM 1015 CG LYS A 64 10.091 2.520 15.643 1.00 1.42 C ATOM 1016 CD LYS A 64 10.658 3.922 15.872 1.00 1.56 C ATOM 1017 CE LYS A 64 9.764 4.990 15.225 1.00 2.99 C ATOM 1018 NZ LYS A 64 10.517 6.235 14.982 1.00 4.24 N ATOM 0 H LYS A 64 6.682 2.061 15.234 1.00 0.63 H new ATOM 0 HA LYS A 64 8.966 0.469 15.278 1.00 0.77 H new ATOM 0 HB2 LYS A 64 8.105 3.019 16.364 1.00 0.98 H new ATOM 0 HB3 LYS A 64 9.089 2.165 17.536 1.00 0.98 H new ATOM 0 HG2 LYS A 64 10.859 1.784 15.879 1.00 1.42 H new ATOM 0 HG3 LYS A 64 9.851 2.403 14.586 1.00 1.42 H new ATOM 0 HD2 LYS A 64 10.743 4.113 16.942 1.00 1.56 H new ATOM 0 HD3 LYS A 64 11.664 3.984 15.456 1.00 1.56 H new ATOM 0 HE2 LYS A 64 9.365 4.613 14.283 1.00 2.99 H new ATOM 0 HE3 LYS A 64 8.912 5.197 15.873 1.00 2.99 H new ATOM 0 HZ1 LYS A 64 9.863 6.982 14.672 1.00 4.24 H new ATOM 0 HZ2 LYS A 64 10.990 6.532 15.860 1.00 4.24 H new ATOM 0 HZ3 LYS A 64 11.230 6.071 14.243 1.00 4.24 H new ATOM 1032 N ALA A 65 7.014 -0.335 17.745 1.00 0.88 N ATOM 1033 CA ALA A 65 6.728 -1.422 18.682 1.00 1.01 C ATOM 1034 C ALA A 65 6.487 -2.768 17.985 1.00 0.97 C ATOM 1035 O ALA A 65 6.846 -3.816 18.517 1.00 1.11 O ATOM 1036 CB ALA A 65 5.527 -1.043 19.556 1.00 1.08 C ATOM 0 H ALA A 65 6.236 0.316 17.635 1.00 0.88 H new ATOM 0 HA ALA A 65 7.613 -1.556 19.305 1.00 1.01 H new ATOM 0 HB1 ALA A 65 5.315 -1.853 20.254 1.00 1.08 H new ATOM 0 HB2 ALA A 65 5.755 -0.135 20.113 1.00 1.08 H new ATOM 0 HB3 ALA A 65 4.656 -0.871 18.923 1.00 1.08 H new ATOM 1042 N GLU A 66 5.886 -2.735 16.796 1.00 0.83 N ATOM 1043 CA GLU A 66 5.528 -3.891 15.993 1.00 0.79 C ATOM 1044 C GLU A 66 6.714 -4.300 15.117 1.00 0.67 C ATOM 1045 O GLU A 66 6.653 -5.323 14.448 1.00 0.64 O ATOM 1046 CB GLU A 66 4.313 -3.566 15.101 1.00 0.76 C ATOM 1047 CG GLU A 66 3.210 -2.752 15.796 1.00 0.96 C ATOM 1048 CD GLU A 66 2.691 -3.405 17.069 1.00 1.19 C ATOM 1049 OE1 GLU A 66 2.433 -4.626 17.017 1.00 2.05 O ATOM 1050 OE2 GLU A 66 2.538 -2.661 18.064 1.00 2.25 O ATOM 0 H GLU A 66 5.625 -1.856 16.350 1.00 0.83 H new ATOM 0 HA GLU A 66 5.268 -4.714 16.659 1.00 0.79 H new ATOM 0 HB2 GLU A 66 4.658 -3.014 14.227 1.00 0.76 H new ATOM 0 HB3 GLU A 66 3.884 -4.500 14.739 1.00 0.76 H new ATOM 0 HG2 GLU A 66 3.596 -1.761 16.036 1.00 0.96 H new ATOM 0 HG3 GLU A 66 2.380 -2.612 15.103 1.00 0.96 H new ATOM 1057 N ASN A 67 7.764 -3.473 15.076 1.00 0.69 N ATOM 1058 CA ASN A 67 8.712 -3.367 13.990 1.00 0.61 C ATOM 1059 C ASN A 67 9.366 -4.685 13.645 1.00 0.91 C ATOM 1060 O ASN A 67 9.703 -4.847 12.486 1.00 1.57 O ATOM 1061 CB ASN A 67 9.758 -2.302 14.339 1.00 0.79 C ATOM 1062 CG ASN A 67 11.024 -2.436 13.508 1.00 1.49 C ATOM 1063 OD1 ASN A 67 11.165 -1.814 12.463 1.00 2.61 O ATOM 1064 ND2 ASN A 67 11.954 -3.261 13.974 1.00 2.16 N ATOM 0 H ASN A 67 7.976 -2.834 15.842 1.00 0.69 H new ATOM 0 HA ASN A 67 8.165 -3.068 13.096 1.00 0.61 H new ATOM 0 HB2 ASN A 67 9.329 -1.312 14.185 1.00 0.79 H new ATOM 0 HB3 ASN A 67 10.011 -2.379 15.396 1.00 0.79 H new ATOM 0 HD21 ASN A 67 12.823 -3.394 13.457 1.00 2.16 H new ATOM 0 HD22 ASN A 67 11.799 -3.762 14.849 1.00 2.16 H new ATOM 1071 N ILE A 68 9.577 -5.548 14.647 1.00 0.91 N ATOM 1072 CA ILE A 68 10.375 -6.791 14.596 1.00 1.07 C ATOM 1073 C ILE A 68 11.173 -6.907 13.276 1.00 1.09 C ATOM 1074 O ILE A 68 12.298 -6.407 13.234 1.00 1.20 O ATOM 1075 CB ILE A 68 9.541 -8.031 14.995 1.00 1.19 C ATOM 1076 CG1 ILE A 68 9.210 -8.072 16.505 1.00 1.26 C ATOM 1077 CG2 ILE A 68 10.311 -9.341 14.733 1.00 1.35 C ATOM 1078 CD1 ILE A 68 8.292 -6.973 17.045 1.00 1.24 C ATOM 0 H ILE A 68 9.174 -5.393 15.571 1.00 0.91 H new ATOM 0 HA ILE A 68 11.147 -6.742 15.364 1.00 1.07 H new ATOM 0 HB ILE A 68 8.636 -7.949 14.393 1.00 1.19 H new ATOM 0 HG12 ILE A 68 8.751 -9.036 16.725 1.00 1.26 H new ATOM 0 HG13 ILE A 68 10.148 -8.032 17.059 1.00 1.26 H new ATOM 0 HG21 ILE A 68 9.694 -10.191 15.025 1.00 1.35 H new ATOM 0 HG22 ILE A 68 10.552 -9.415 13.673 1.00 1.35 H new ATOM 0 HG23 ILE A 68 11.232 -9.344 15.316 1.00 1.35 H new ATOM 0 HD11 ILE A 68 8.141 -7.118 18.115 1.00 1.24 H new ATOM 0 HD12 ILE A 68 8.750 -5.999 16.872 1.00 1.24 H new ATOM 0 HD13 ILE A 68 7.331 -7.018 16.533 1.00 1.24 H new ATOM 1090 N ASP A 69 10.589 -7.449 12.195 1.00 1.08 N ATOM 1091 CA ASP A 69 10.864 -6.988 10.831 1.00 1.06 C ATOM 1092 C ASP A 69 9.569 -6.878 10.010 1.00 0.97 C ATOM 1093 O ASP A 69 9.512 -7.175 8.815 1.00 1.29 O ATOM 1094 CB ASP A 69 11.942 -7.819 10.151 1.00 1.28 C ATOM 1095 CG ASP A 69 12.326 -7.232 8.796 1.00 1.34 C ATOM 1096 OD1 ASP A 69 12.264 -5.994 8.622 1.00 2.28 O ATOM 1097 OD2 ASP A 69 12.622 -8.018 7.871 1.00 2.04 O ATOM 0 H ASP A 69 9.917 -8.215 12.245 1.00 1.08 H new ATOM 0 HA ASP A 69 11.275 -5.980 10.895 1.00 1.06 H new ATOM 0 HB2 ASP A 69 12.823 -7.868 10.791 1.00 1.28 H new ATOM 0 HB3 ASP A 69 11.587 -8.841 10.019 1.00 1.28 H new ATOM 1102 N VAL A 70 8.517 -6.382 10.656 1.00 0.68 N ATOM 1103 CA VAL A 70 7.344 -5.865 9.987 1.00 0.52 C ATOM 1104 C VAL A 70 7.709 -4.456 9.514 1.00 0.46 C ATOM 1105 O VAL A 70 8.171 -3.613 10.287 1.00 0.55 O ATOM 1106 CB VAL A 70 6.069 -5.930 10.867 1.00 0.56 C ATOM 1107 CG1 VAL A 70 6.099 -7.007 11.962 1.00 0.91 C ATOM 1108 CG2 VAL A 70 5.655 -4.589 11.481 1.00 0.45 C ATOM 0 H VAL A 70 8.462 -6.331 11.673 1.00 0.68 H new ATOM 0 HA VAL A 70 7.074 -6.484 9.131 1.00 0.52 H new ATOM 0 HB VAL A 70 5.309 -6.218 10.141 1.00 0.56 H new ATOM 0 HG11 VAL A 70 5.167 -6.978 12.526 1.00 0.91 H new ATOM 0 HG12 VAL A 70 6.215 -7.989 11.503 1.00 0.91 H new ATOM 0 HG13 VAL A 70 6.936 -6.819 12.634 1.00 0.91 H new ATOM 0 HG21 VAL A 70 4.755 -4.726 12.080 1.00 0.45 H new ATOM 0 HG22 VAL A 70 6.459 -4.215 12.114 1.00 0.45 H new ATOM 0 HG23 VAL A 70 5.456 -3.871 10.686 1.00 0.45 H new ATOM 1118 N ARG A 71 7.513 -4.195 8.226 1.00 0.50 N ATOM 1119 CA ARG A 71 7.689 -2.881 7.637 1.00 0.45 C ATOM 1120 C ARG A 71 6.353 -2.455 7.064 1.00 0.48 C ATOM 1121 O ARG A 71 5.484 -3.293 6.811 1.00 0.73 O ATOM 1122 CB ARG A 71 8.800 -2.939 6.578 1.00 0.65 C ATOM 1123 CG ARG A 71 10.164 -2.754 7.254 1.00 0.65 C ATOM 1124 CD ARG A 71 11.324 -3.231 6.382 1.00 0.59 C ATOM 1125 NE ARG A 71 11.447 -4.695 6.439 1.00 0.65 N ATOM 1126 CZ ARG A 71 11.453 -5.573 5.423 1.00 0.60 C ATOM 1127 NH1 ARG A 71 11.302 -5.167 4.154 1.00 0.61 N ATOM 1128 NH2 ARG A 71 11.618 -6.874 5.683 1.00 0.77 N ATOM 0 H ARG A 71 7.223 -4.906 7.554 1.00 0.50 H new ATOM 0 HA ARG A 71 8.001 -2.142 8.375 1.00 0.45 H new ATOM 0 HB2 ARG A 71 8.768 -3.895 6.055 1.00 0.65 H new ATOM 0 HB3 ARG A 71 8.645 -2.161 5.830 1.00 0.65 H new ATOM 0 HG2 ARG A 71 10.305 -1.700 7.495 1.00 0.65 H new ATOM 0 HG3 ARG A 71 10.175 -3.301 8.197 1.00 0.65 H new ATOM 0 HD2 ARG A 71 11.165 -2.914 5.351 1.00 0.59 H new ATOM 0 HD3 ARG A 71 12.252 -2.769 6.718 1.00 0.59 H new ATOM 0 HE ARG A 71 11.540 -5.096 7.372 1.00 0.65 H new ATOM 0 HH11 ARG A 71 11.180 -4.176 3.947 1.00 0.61 H new ATOM 0 HH12 ARG A 71 11.309 -5.849 3.396 1.00 0.61 H new ATOM 0 HH21 ARG A 71 11.738 -7.191 6.645 1.00 0.77 H new ATOM 0 HH22 ARG A 71 11.624 -7.550 4.919 1.00 0.77 H new ATOM 1142 N ILE A 72 6.182 -1.149 6.883 1.00 0.41 N ATOM 1143 CA ILE A 72 5.070 -0.631 6.126 1.00 0.42 C ATOM 1144 C ILE A 72 5.557 -0.449 4.687 1.00 0.40 C ATOM 1145 O ILE A 72 6.411 0.396 4.420 1.00 0.44 O ATOM 1146 CB ILE A 72 4.507 0.631 6.802 1.00 0.45 C ATOM 1147 CG1 ILE A 72 3.408 1.248 5.927 1.00 0.56 C ATOM 1148 CG2 ILE A 72 5.558 1.675 7.206 1.00 0.47 C ATOM 1149 CD1 ILE A 72 2.784 2.427 6.655 1.00 1.28 C ATOM 0 H ILE A 72 6.808 -0.435 7.256 1.00 0.41 H new ATOM 0 HA ILE A 72 4.220 -1.312 6.098 1.00 0.42 H new ATOM 0 HB ILE A 72 4.083 0.299 7.750 1.00 0.45 H new ATOM 0 HG12 ILE A 72 3.827 1.575 4.975 1.00 0.56 H new ATOM 0 HG13 ILE A 72 2.646 0.502 5.701 1.00 0.56 H new ATOM 0 HG21 ILE A 72 5.064 2.527 7.674 1.00 0.47 H new ATOM 0 HG22 ILE A 72 6.260 1.230 7.911 1.00 0.47 H new ATOM 0 HG23 ILE A 72 6.097 2.010 6.320 1.00 0.47 H new ATOM 0 HD11 ILE A 72 2.003 2.866 6.034 1.00 1.28 H new ATOM 0 HD12 ILE A 72 2.351 2.086 7.595 1.00 1.28 H new ATOM 0 HD13 ILE A 72 3.550 3.176 6.858 1.00 1.28 H new ATOM 1161 N ILE A 73 5.090 -1.288 3.760 1.00 0.39 N ATOM 1162 CA ILE A 73 5.441 -1.177 2.359 1.00 0.38 C ATOM 1163 C ILE A 73 4.460 -0.218 1.707 1.00 0.42 C ATOM 1164 O ILE A 73 3.333 -0.055 2.166 1.00 0.56 O ATOM 1165 CB ILE A 73 5.420 -2.583 1.734 1.00 0.37 C ATOM 1166 CG1 ILE A 73 6.755 -3.324 1.906 1.00 0.37 C ATOM 1167 CG2 ILE A 73 5.036 -2.603 0.246 1.00 0.45 C ATOM 1168 CD1 ILE A 73 7.170 -3.519 3.368 1.00 0.40 C ATOM 0 H ILE A 73 4.458 -2.061 3.969 1.00 0.39 H new ATOM 0 HA ILE A 73 6.445 -0.778 2.212 1.00 0.38 H new ATOM 0 HB ILE A 73 4.638 -3.100 2.290 1.00 0.37 H new ATOM 0 HG12 ILE A 73 6.683 -4.300 1.425 1.00 0.37 H new ATOM 0 HG13 ILE A 73 7.537 -2.770 1.387 1.00 0.37 H new ATOM 0 HG21 ILE A 73 5.045 -3.630 -0.118 1.00 0.45 H new ATOM 0 HG22 ILE A 73 4.038 -2.182 0.122 1.00 0.45 H new ATOM 0 HG23 ILE A 73 5.753 -2.010 -0.323 1.00 0.45 H new ATOM 0 HD11 ILE A 73 8.121 -4.049 3.409 1.00 0.40 H new ATOM 0 HD12 ILE A 73 7.276 -2.547 3.849 1.00 0.40 H new ATOM 0 HD13 ILE A 73 6.408 -4.100 3.888 1.00 0.40 H new ATOM 1180 N SER A 74 4.888 0.427 0.626 1.00 0.48 N ATOM 1181 CA SER A 74 4.032 1.335 -0.107 1.00 0.52 C ATOM 1182 C SER A 74 4.565 1.379 -1.534 1.00 0.60 C ATOM 1183 O SER A 74 5.724 1.744 -1.710 1.00 0.73 O ATOM 1184 CB SER A 74 4.169 2.695 0.574 1.00 0.50 C ATOM 1185 OG SER A 74 3.464 3.716 -0.095 1.00 1.83 O ATOM 0 H SER A 74 5.828 0.332 0.242 1.00 0.48 H new ATOM 0 HA SER A 74 2.983 1.038 -0.123 1.00 0.52 H new ATOM 0 HB2 SER A 74 3.806 2.621 1.599 1.00 0.50 H new ATOM 0 HB3 SER A 74 5.224 2.964 0.628 1.00 0.50 H new ATOM 0 HG SER A 74 2.596 3.853 0.339 1.00 1.83 H new ATOM 1191 N PHE A 75 3.788 0.961 -2.538 1.00 0.80 N ATOM 1192 CA PHE A 75 4.244 0.982 -3.927 1.00 0.93 C ATOM 1193 C PHE A 75 3.717 2.212 -4.658 1.00 0.85 C ATOM 1194 O PHE A 75 2.679 2.764 -4.286 1.00 0.83 O ATOM 1195 CB PHE A 75 3.897 -0.326 -4.648 1.00 1.21 C ATOM 1196 CG PHE A 75 2.440 -0.745 -4.627 1.00 0.86 C ATOM 1197 CD1 PHE A 75 1.592 -0.401 -5.697 1.00 2.01 C ATOM 1198 CD2 PHE A 75 1.997 -1.664 -3.656 1.00 1.62 C ATOM 1199 CE1 PHE A 75 0.368 -1.072 -5.867 1.00 1.96 C ATOM 1200 CE2 PHE A 75 0.766 -2.322 -3.818 1.00 1.74 C ATOM 1201 CZ PHE A 75 -0.027 -2.060 -4.947 1.00 0.98 C ATOM 0 H PHE A 75 2.841 0.604 -2.412 1.00 0.80 H new ATOM 0 HA PHE A 75 5.331 1.057 -3.927 1.00 0.93 H new ATOM 0 HB2 PHE A 75 4.211 -0.236 -5.688 1.00 1.21 H new ATOM 0 HB3 PHE A 75 4.489 -1.127 -4.205 1.00 1.21 H new ATOM 0 HD1 PHE A 75 1.881 0.378 -6.387 1.00 2.01 H new ATOM 0 HD2 PHE A 75 2.604 -1.863 -2.786 1.00 1.62 H new ATOM 0 HE1 PHE A 75 -0.269 -0.829 -6.704 1.00 1.96 H new ATOM 0 HE2 PHE A 75 0.430 -3.029 -3.074 1.00 1.74 H new ATOM 0 HZ PHE A 75 -0.939 -2.616 -5.109 1.00 0.98 H new ATOM 1211 N SER A 76 4.420 2.629 -5.716 1.00 0.84 N ATOM 1212 CA SER A 76 4.014 3.801 -6.473 1.00 0.78 C ATOM 1213 C SER A 76 2.830 3.420 -7.347 1.00 0.69 C ATOM 1214 O SER A 76 2.917 2.499 -8.163 1.00 0.90 O ATOM 1215 CB SER A 76 5.172 4.331 -7.329 1.00 0.86 C ATOM 1216 OG SER A 76 4.716 5.432 -8.096 1.00 1.73 O ATOM 0 H SER A 76 5.265 2.172 -6.060 1.00 0.84 H new ATOM 0 HA SER A 76 3.728 4.599 -5.787 1.00 0.78 H new ATOM 0 HB2 SER A 76 6.002 4.635 -6.692 1.00 0.86 H new ATOM 0 HB3 SER A 76 5.545 3.545 -7.985 1.00 0.86 H new ATOM 0 HG SER A 76 5.484 5.961 -8.398 1.00 1.73 H new ATOM 1222 N VAL A 77 1.726 4.150 -7.207 1.00 0.63 N ATOM 1223 CA VAL A 77 0.636 4.030 -8.148 1.00 0.64 C ATOM 1224 C VAL A 77 1.041 4.800 -9.395 1.00 0.64 C ATOM 1225 O VAL A 77 0.711 5.971 -9.564 1.00 0.82 O ATOM 1226 CB VAL A 77 -0.673 4.520 -7.535 1.00 0.69 C ATOM 1227 CG1 VAL A 77 -1.803 4.499 -8.581 1.00 0.83 C ATOM 1228 CG2 VAL A 77 -1.056 3.583 -6.388 1.00 0.78 C ATOM 0 H VAL A 77 1.571 4.822 -6.456 1.00 0.63 H new ATOM 0 HA VAL A 77 0.450 2.989 -8.414 1.00 0.64 H new ATOM 0 HB VAL A 77 -0.537 5.541 -7.178 1.00 0.69 H new ATOM 0 HG11 VAL A 77 -2.728 4.852 -8.125 1.00 0.83 H new ATOM 0 HG12 VAL A 77 -1.539 5.149 -9.415 1.00 0.83 H new ATOM 0 HG13 VAL A 77 -1.943 3.481 -8.945 1.00 0.83 H new ATOM 0 HG21 VAL A 77 -1.990 3.920 -5.939 1.00 0.78 H new ATOM 0 HG22 VAL A 77 -1.182 2.571 -6.772 1.00 0.78 H new ATOM 0 HG23 VAL A 77 -0.268 3.589 -5.634 1.00 0.78 H new ATOM 1238 N ASP A 78 1.761 4.075 -10.248 1.00 0.91 N ATOM 1239 CA ASP A 78 2.089 4.382 -11.625 1.00 0.89 C ATOM 1240 C ASP A 78 3.388 5.172 -11.788 1.00 0.89 C ATOM 1241 O ASP A 78 3.367 6.334 -12.203 1.00 1.09 O ATOM 1242 CB ASP A 78 0.933 5.048 -12.387 1.00 1.00 C ATOM 1243 CG ASP A 78 1.327 5.152 -13.850 1.00 1.25 C ATOM 1244 OD1 ASP A 78 2.108 4.269 -14.274 1.00 2.51 O ATOM 1245 OD2 ASP A 78 0.842 6.069 -14.548 1.00 1.71 O ATOM 0 H ASP A 78 2.161 3.182 -9.961 1.00 0.91 H new ATOM 0 HA ASP A 78 2.260 3.408 -12.084 1.00 0.89 H new ATOM 0 HB2 ASP A 78 0.020 4.463 -12.280 1.00 1.00 H new ATOM 0 HB3 ASP A 78 0.727 6.037 -11.977 1.00 1.00 H new ATOM 1250 N PRO A 79 4.552 4.540 -11.572 1.00 0.89 N ATOM 1251 CA PRO A 79 5.818 5.209 -11.764 1.00 0.99 C ATOM 1252 C PRO A 79 6.180 5.361 -13.249 1.00 1.02 C ATOM 1253 O PRO A 79 7.247 5.900 -13.546 1.00 1.26 O ATOM 1254 CB PRO A 79 6.842 4.382 -10.986 1.00 1.06 C ATOM 1255 CG PRO A 79 6.279 2.975 -11.149 1.00 1.04 C ATOM 1256 CD PRO A 79 4.763 3.180 -11.111 1.00 0.94 C ATOM 0 HA PRO A 79 5.785 6.234 -11.396 1.00 0.99 H new ATOM 0 HB2 PRO A 79 7.845 4.474 -11.402 1.00 1.06 H new ATOM 0 HB3 PRO A 79 6.902 4.682 -9.940 1.00 1.06 H new ATOM 0 HG2 PRO A 79 6.598 2.523 -12.088 1.00 1.04 H new ATOM 0 HG3 PRO A 79 6.613 2.315 -10.348 1.00 1.04 H new ATOM 0 HD2 PRO A 79 4.252 2.463 -11.753 1.00 0.94 H new ATOM 0 HD3 PRO A 79 4.372 3.040 -10.103 1.00 0.94 H new ATOM 1264 N GLU A 80 5.294 4.982 -14.189 1.00 0.87 N ATOM 1265 CA GLU A 80 5.335 5.534 -15.531 1.00 0.95 C ATOM 1266 C GLU A 80 5.391 7.061 -15.410 1.00 0.84 C ATOM 1267 O GLU A 80 6.137 7.723 -16.132 1.00 1.21 O ATOM 1268 CB GLU A 80 4.048 5.111 -16.241 1.00 1.06 C ATOM 1269 CG GLU A 80 3.989 5.429 -17.729 1.00 2.12 C ATOM 1270 CD GLU A 80 2.529 5.483 -18.150 1.00 2.77 C ATOM 1271 OE1 GLU A 80 1.880 4.415 -18.213 1.00 2.70 O ATOM 1272 OE2 GLU A 80 1.972 6.606 -18.184 1.00 4.22 O ATOM 0 H GLU A 80 4.551 4.300 -14.033 1.00 0.87 H new ATOM 0 HA GLU A 80 6.201 5.181 -16.091 1.00 0.95 H new ATOM 0 HB2 GLU A 80 3.917 4.037 -16.111 1.00 1.06 H new ATOM 0 HB3 GLU A 80 3.205 5.597 -15.749 1.00 1.06 H new ATOM 0 HG2 GLU A 80 4.478 6.381 -17.933 1.00 2.12 H new ATOM 0 HG3 GLU A 80 4.521 4.669 -18.301 1.00 2.12 H new ATOM 1279 N ASN A 81 4.628 7.611 -14.460 1.00 0.72 N ATOM 1280 CA ASN A 81 4.519 9.036 -14.197 1.00 0.94 C ATOM 1281 C ASN A 81 5.168 9.344 -12.849 1.00 1.01 C ATOM 1282 O ASN A 81 6.158 10.074 -12.784 1.00 1.56 O ATOM 1283 CB ASN A 81 3.039 9.441 -14.269 1.00 1.29 C ATOM 1284 CG ASN A 81 2.541 9.228 -15.697 1.00 1.67 C ATOM 1285 OD1 ASN A 81 2.803 10.054 -16.565 1.00 2.69 O ATOM 1286 ND2 ASN A 81 1.900 8.097 -15.978 1.00 2.18 N ATOM 0 H ASN A 81 4.051 7.049 -13.834 1.00 0.72 H new ATOM 0 HA ASN A 81 5.049 9.625 -14.945 1.00 0.94 H new ATOM 0 HB2 ASN A 81 2.450 8.846 -13.571 1.00 1.29 H new ATOM 0 HB3 ASN A 81 2.918 10.485 -13.979 1.00 1.29 H new ATOM 0 HD21 ASN A 81 1.613 7.898 -16.936 1.00 2.18 H new ATOM 0 HD22 ASN A 81 1.696 7.428 -15.235 1.00 2.18 H new ATOM 1293 N ASP A 82 4.650 8.738 -11.783 1.00 0.97 N ATOM 1294 CA ASP A 82 5.034 9.000 -10.403 1.00 1.11 C ATOM 1295 C ASP A 82 6.336 8.276 -10.054 1.00 1.30 C ATOM 1296 O ASP A 82 6.358 7.330 -9.261 1.00 2.77 O ATOM 1297 CB ASP A 82 3.871 8.593 -9.486 1.00 1.15 C ATOM 1298 CG ASP A 82 2.828 9.697 -9.357 1.00 1.64 C ATOM 1299 OD1 ASP A 82 2.592 10.388 -10.375 1.00 2.58 O ATOM 1300 OD2 ASP A 82 2.299 9.860 -8.236 1.00 2.51 O ATOM 0 H ASP A 82 3.925 8.025 -11.862 1.00 0.97 H new ATOM 0 HA ASP A 82 5.231 10.063 -10.261 1.00 1.11 H new ATOM 0 HB2 ASP A 82 3.398 7.693 -9.879 1.00 1.15 H new ATOM 0 HB3 ASP A 82 4.259 8.344 -8.498 1.00 1.15 H new ATOM 1305 N LYS A 83 7.440 8.706 -10.673 1.00 0.70 N ATOM 1306 CA LYS A 83 8.768 8.188 -10.362 1.00 0.70 C ATOM 1307 C LYS A 83 9.001 8.199 -8.841 1.00 0.59 C ATOM 1308 O LYS A 83 8.494 9.087 -8.154 1.00 0.64 O ATOM 1309 CB LYS A 83 9.847 8.985 -11.092 1.00 0.98 C ATOM 1310 CG LYS A 83 10.099 8.554 -12.545 1.00 1.62 C ATOM 1311 CD LYS A 83 8.960 8.930 -13.501 1.00 1.91 C ATOM 1312 CE LYS A 83 9.376 8.641 -14.951 1.00 2.06 C ATOM 1313 NZ LYS A 83 8.369 9.113 -15.920 1.00 2.69 N ATOM 0 H LYS A 83 7.434 9.421 -11.401 1.00 0.70 H new ATOM 0 HA LYS A 83 8.829 7.156 -10.709 1.00 0.70 H new ATOM 0 HB2 LYS A 83 9.567 10.039 -11.084 1.00 0.98 H new ATOM 0 HB3 LYS A 83 10.780 8.899 -10.536 1.00 0.98 H new ATOM 0 HG2 LYS A 83 11.024 9.012 -12.896 1.00 1.62 H new ATOM 0 HG3 LYS A 83 10.246 7.474 -12.575 1.00 1.62 H new ATOM 0 HD2 LYS A 83 8.063 8.364 -13.251 1.00 1.91 H new ATOM 0 HD3 LYS A 83 8.713 9.986 -13.388 1.00 1.91 H new ATOM 0 HE2 LYS A 83 10.331 9.124 -15.157 1.00 2.06 H new ATOM 0 HE3 LYS A 83 9.527 7.569 -15.078 1.00 2.06 H new ATOM 0 HZ1 LYS A 83 8.765 9.070 -16.881 1.00 2.69 H new ATOM 0 HZ2 LYS A 83 7.525 8.508 -15.866 1.00 2.69 H new ATOM 0 HZ3 LYS A 83 8.106 10.094 -15.697 1.00 2.69 H new ATOM 1327 N PRO A 84 9.793 7.261 -8.293 1.00 0.55 N ATOM 1328 CA PRO A 84 10.003 7.137 -6.854 1.00 0.50 C ATOM 1329 C PRO A 84 10.476 8.442 -6.210 1.00 0.47 C ATOM 1330 O PRO A 84 10.202 8.687 -5.041 1.00 0.45 O ATOM 1331 CB PRO A 84 11.024 6.008 -6.673 1.00 0.54 C ATOM 1332 CG PRO A 84 11.725 5.935 -8.030 1.00 0.62 C ATOM 1333 CD PRO A 84 10.596 6.278 -9.001 1.00 0.64 C ATOM 0 HA PRO A 84 9.064 6.910 -6.349 1.00 0.50 H new ATOM 0 HB2 PRO A 84 11.727 6.229 -5.870 1.00 0.54 H new ATOM 0 HB3 PRO A 84 10.538 5.065 -6.421 1.00 0.54 H new ATOM 0 HG2 PRO A 84 12.550 6.644 -8.100 1.00 0.62 H new ATOM 0 HG3 PRO A 84 12.138 4.945 -8.221 1.00 0.62 H new ATOM 0 HD2 PRO A 84 10.985 6.682 -9.935 1.00 0.64 H new ATOM 0 HD3 PRO A 84 10.009 5.395 -9.255 1.00 0.64 H new ATOM 1341 N LYS A 85 11.171 9.299 -6.957 1.00 0.53 N ATOM 1342 CA LYS A 85 11.585 10.604 -6.492 1.00 0.57 C ATOM 1343 C LYS A 85 10.403 11.521 -6.138 1.00 0.52 C ATOM 1344 O LYS A 85 10.511 12.302 -5.195 1.00 0.53 O ATOM 1345 CB LYS A 85 12.529 11.190 -7.531 1.00 0.72 C ATOM 1346 CG LYS A 85 13.975 10.790 -7.235 1.00 1.19 C ATOM 1347 CD LYS A 85 14.933 11.081 -8.398 1.00 1.46 C ATOM 1348 CE LYS A 85 16.350 10.613 -8.025 1.00 2.19 C ATOM 1349 NZ LYS A 85 17.316 10.774 -9.133 1.00 2.88 N ATOM 0 H LYS A 85 11.462 9.095 -7.913 1.00 0.53 H new ATOM 0 HA LYS A 85 12.116 10.507 -5.545 1.00 0.57 H new ATOM 0 HB2 LYS A 85 12.246 10.841 -8.524 1.00 0.72 H new ATOM 0 HB3 LYS A 85 12.441 12.276 -7.538 1.00 0.72 H new ATOM 0 HG2 LYS A 85 14.318 11.323 -6.348 1.00 1.19 H new ATOM 0 HG3 LYS A 85 14.010 9.726 -7.001 1.00 1.19 H new ATOM 0 HD2 LYS A 85 14.595 10.569 -9.299 1.00 1.46 H new ATOM 0 HD3 LYS A 85 14.938 12.148 -8.621 1.00 1.46 H new ATOM 0 HE2 LYS A 85 16.698 11.178 -7.160 1.00 2.19 H new ATOM 0 HE3 LYS A 85 16.315 9.565 -7.728 1.00 2.19 H new ATOM 0 HZ1 LYS A 85 18.253 10.444 -8.827 1.00 2.88 H new ATOM 0 HZ2 LYS A 85 17.002 10.215 -9.952 1.00 2.88 H new ATOM 0 HZ3 LYS A 85 17.373 11.777 -9.401 1.00 2.88 H new ATOM 1363 N GLN A 86 9.273 11.425 -6.849 1.00 0.53 N ATOM 1364 CA GLN A 86 8.059 12.143 -6.472 1.00 0.55 C ATOM 1365 C GLN A 86 7.582 11.630 -5.120 1.00 0.49 C ATOM 1366 O GLN A 86 7.345 12.423 -4.208 1.00 0.54 O ATOM 1367 CB GLN A 86 6.960 12.006 -7.527 1.00 0.67 C ATOM 1368 CG GLN A 86 7.171 12.888 -8.765 1.00 1.00 C ATOM 1369 CD GLN A 86 6.716 14.326 -8.521 1.00 1.38 C ATOM 1370 OE1 GLN A 86 5.592 14.691 -8.841 1.00 2.75 O ATOM 1371 NE2 GLN A 86 7.582 15.167 -7.959 1.00 1.96 N ATOM 0 H GLN A 86 9.179 10.855 -7.689 1.00 0.53 H new ATOM 0 HA GLN A 86 8.291 13.206 -6.402 1.00 0.55 H new ATOM 0 HB2 GLN A 86 6.900 10.964 -7.842 1.00 0.67 H new ATOM 0 HB3 GLN A 86 6.001 12.258 -7.073 1.00 0.67 H new ATOM 0 HG2 GLN A 86 8.226 12.882 -9.040 1.00 1.00 H new ATOM 0 HG3 GLN A 86 6.620 12.470 -9.607 1.00 1.00 H new ATOM 0 HE21 GLN A 86 8.514 14.842 -7.700 1.00 1.96 H new ATOM 0 HE22 GLN A 86 7.314 16.136 -7.787 1.00 1.96 H new ATOM 1380 N LEU A 87 7.493 10.304 -4.979 1.00 0.45 N ATOM 1381 CA LEU A 87 7.136 9.694 -3.708 1.00 0.43 C ATOM 1382 C LEU A 87 8.081 10.181 -2.606 1.00 0.42 C ATOM 1383 O LEU A 87 7.622 10.585 -1.545 1.00 0.47 O ATOM 1384 CB LEU A 87 7.094 8.159 -3.797 1.00 0.43 C ATOM 1385 CG LEU A 87 5.769 7.626 -4.374 1.00 0.59 C ATOM 1386 CD1 LEU A 87 5.681 7.697 -5.903 1.00 1.13 C ATOM 1387 CD2 LEU A 87 5.551 6.175 -3.928 1.00 1.06 C ATOM 0 H LEU A 87 7.664 9.638 -5.733 1.00 0.45 H new ATOM 0 HA LEU A 87 6.125 10.009 -3.451 1.00 0.43 H new ATOM 0 HB2 LEU A 87 7.920 7.814 -4.419 1.00 0.43 H new ATOM 0 HB3 LEU A 87 7.246 7.739 -2.803 1.00 0.43 H new ATOM 0 HG LEU A 87 4.989 8.279 -3.982 1.00 0.59 H new ATOM 0 HD11 LEU A 87 4.719 7.303 -6.231 1.00 1.13 H new ATOM 0 HD12 LEU A 87 5.778 8.734 -6.225 1.00 1.13 H new ATOM 0 HD13 LEU A 87 6.484 7.104 -6.342 1.00 1.13 H new ATOM 0 HD21 LEU A 87 4.612 5.805 -4.340 1.00 1.06 H new ATOM 0 HD22 LEU A 87 6.374 5.556 -4.287 1.00 1.06 H new ATOM 0 HD23 LEU A 87 5.512 6.131 -2.840 1.00 1.06 H new ATOM 1399 N LYS A 88 9.393 10.196 -2.857 1.00 0.40 N ATOM 1400 CA LYS A 88 10.387 10.675 -1.905 1.00 0.44 C ATOM 1401 C LYS A 88 10.135 12.149 -1.540 1.00 0.49 C ATOM 1402 O LYS A 88 10.195 12.515 -0.369 1.00 0.56 O ATOM 1403 CB LYS A 88 11.802 10.478 -2.468 1.00 0.53 C ATOM 1404 CG LYS A 88 12.796 10.278 -1.318 1.00 0.76 C ATOM 1405 CD LYS A 88 14.247 10.389 -1.801 1.00 1.29 C ATOM 1406 CE LYS A 88 15.250 9.955 -0.720 1.00 1.60 C ATOM 1407 NZ LYS A 88 15.150 10.760 0.518 1.00 2.94 N ATOM 0 H LYS A 88 9.794 9.872 -3.737 1.00 0.40 H new ATOM 0 HA LYS A 88 10.299 10.090 -0.990 1.00 0.44 H new ATOM 0 HB2 LYS A 88 11.822 9.614 -3.132 1.00 0.53 H new ATOM 0 HB3 LYS A 88 12.090 11.344 -3.063 1.00 0.53 H new ATOM 0 HG2 LYS A 88 12.612 11.022 -0.543 1.00 0.76 H new ATOM 0 HG3 LYS A 88 12.637 9.300 -0.864 1.00 0.76 H new ATOM 0 HD2 LYS A 88 14.381 9.771 -2.689 1.00 1.29 H new ATOM 0 HD3 LYS A 88 14.453 11.418 -2.094 1.00 1.29 H new ATOM 0 HE2 LYS A 88 15.084 8.905 -0.479 1.00 1.60 H new ATOM 0 HE3 LYS A 88 16.262 10.034 -1.118 1.00 1.60 H new ATOM 0 HZ1 LYS A 88 16.104 10.951 0.886 1.00 2.94 H new ATOM 0 HZ2 LYS A 88 14.672 11.660 0.309 1.00 2.94 H new ATOM 0 HZ3 LYS A 88 14.603 10.235 1.230 1.00 2.94 H new ATOM 1421 N LYS A 89 9.883 13.015 -2.526 1.00 0.52 N ATOM 1422 CA LYS A 89 9.630 14.426 -2.284 1.00 0.57 C ATOM 1423 C LYS A 89 8.364 14.618 -1.442 1.00 0.58 C ATOM 1424 O LYS A 89 8.370 15.355 -0.458 1.00 0.65 O ATOM 1425 CB LYS A 89 9.546 15.170 -3.624 1.00 0.64 C ATOM 1426 CG LYS A 89 9.960 16.628 -3.423 1.00 1.61 C ATOM 1427 CD LYS A 89 9.887 17.395 -4.750 1.00 1.70 C ATOM 1428 CE LYS A 89 10.486 18.808 -4.660 1.00 2.85 C ATOM 1429 NZ LYS A 89 9.751 19.688 -3.728 1.00 3.92 N ATOM 0 H LYS A 89 9.850 12.752 -3.511 1.00 0.52 H new ATOM 0 HA LYS A 89 10.456 14.847 -1.711 1.00 0.57 H new ATOM 0 HB2 LYS A 89 10.196 14.694 -4.358 1.00 0.64 H new ATOM 0 HB3 LYS A 89 8.531 15.120 -4.017 1.00 0.64 H new ATOM 0 HG2 LYS A 89 9.308 17.099 -2.687 1.00 1.61 H new ATOM 0 HG3 LYS A 89 10.974 16.673 -3.025 1.00 1.61 H new ATOM 0 HD2 LYS A 89 10.415 16.831 -5.519 1.00 1.70 H new ATOM 0 HD3 LYS A 89 8.846 17.467 -5.065 1.00 1.70 H new ATOM 0 HE2 LYS A 89 11.525 18.736 -4.340 1.00 2.85 H new ATOM 0 HE3 LYS A 89 10.488 19.260 -5.652 1.00 2.85 H new ATOM 0 HZ1 LYS A 89 10.200 20.626 -3.709 1.00 3.92 H new ATOM 0 HZ2 LYS A 89 8.765 19.783 -4.045 1.00 3.92 H new ATOM 0 HZ3 LYS A 89 9.770 19.276 -2.773 1.00 3.92 H new ATOM 1443 N PHE A 90 7.277 13.953 -1.829 1.00 0.55 N ATOM 1444 CA PHE A 90 6.032 13.921 -1.074 1.00 0.60 C ATOM 1445 C PHE A 90 6.305 13.444 0.356 1.00 0.61 C ATOM 1446 O PHE A 90 5.893 14.065 1.336 1.00 0.71 O ATOM 1447 CB PHE A 90 5.050 12.996 -1.805 1.00 0.61 C ATOM 1448 CG PHE A 90 3.912 12.474 -0.953 1.00 0.81 C ATOM 1449 CD1 PHE A 90 2.706 13.192 -0.854 1.00 1.50 C ATOM 1450 CD2 PHE A 90 4.064 11.257 -0.262 1.00 2.16 C ATOM 1451 CE1 PHE A 90 1.652 12.681 -0.078 1.00 1.60 C ATOM 1452 CE2 PHE A 90 3.023 10.767 0.540 1.00 2.56 C ATOM 1453 CZ PHE A 90 1.815 11.477 0.629 1.00 1.70 C ATOM 0 H PHE A 90 7.239 13.412 -2.693 1.00 0.55 H new ATOM 0 HA PHE A 90 5.593 14.917 -1.006 1.00 0.60 H new ATOM 0 HB2 PHE A 90 4.631 13.534 -2.655 1.00 0.61 H new ATOM 0 HB3 PHE A 90 5.603 12.147 -2.206 1.00 0.61 H new ATOM 0 HD1 PHE A 90 2.591 14.132 -1.373 1.00 1.50 H new ATOM 0 HD2 PHE A 90 4.985 10.699 -0.350 1.00 2.16 H new ATOM 0 HE1 PHE A 90 0.714 13.214 -0.025 1.00 1.60 H new ATOM 0 HE2 PHE A 90 3.150 9.845 1.088 1.00 2.56 H new ATOM 0 HZ PHE A 90 1.010 11.098 1.241 1.00 1.70 H new ATOM 1463 N ALA A 91 7.049 12.346 0.466 1.00 0.61 N ATOM 1464 CA ALA A 91 7.380 11.715 1.726 1.00 0.71 C ATOM 1465 C ALA A 91 8.094 12.719 2.615 1.00 0.78 C ATOM 1466 O ALA A 91 7.754 12.872 3.779 1.00 0.98 O ATOM 1467 CB ALA A 91 8.254 10.489 1.464 1.00 0.70 C ATOM 0 H ALA A 91 7.444 11.865 -0.342 1.00 0.61 H new ATOM 0 HA ALA A 91 6.474 11.387 2.235 1.00 0.71 H new ATOM 0 HB1 ALA A 91 8.505 10.012 2.411 1.00 0.70 H new ATOM 0 HB2 ALA A 91 7.712 9.783 0.835 1.00 0.70 H new ATOM 0 HB3 ALA A 91 9.170 10.796 0.959 1.00 0.70 H new ATOM 1473 N ALA A 92 9.059 13.437 2.044 1.00 0.81 N ATOM 1474 CA ALA A 92 9.793 14.485 2.729 1.00 0.93 C ATOM 1475 C ALA A 92 8.896 15.640 3.200 1.00 0.87 C ATOM 1476 O ALA A 92 9.303 16.386 4.087 1.00 1.02 O ATOM 1477 CB ALA A 92 10.897 14.984 1.799 1.00 1.10 C ATOM 0 H ALA A 92 9.353 13.300 1.077 1.00 0.81 H new ATOM 0 HA ALA A 92 10.224 14.066 3.639 1.00 0.93 H new ATOM 0 HB1 ALA A 92 11.462 15.773 2.295 1.00 1.10 H new ATOM 0 HB2 ALA A 92 11.566 14.159 1.553 1.00 1.10 H new ATOM 0 HB3 ALA A 92 10.453 15.376 0.884 1.00 1.10 H new ATOM 1483 N ASN A 93 7.704 15.820 2.614 1.00 0.75 N ATOM 1484 CA ASN A 93 6.768 16.850 3.066 1.00 0.82 C ATOM 1485 C ASN A 93 5.983 16.345 4.276 1.00 0.86 C ATOM 1486 O ASN A 93 5.870 17.045 5.280 1.00 0.94 O ATOM 1487 CB ASN A 93 5.814 17.302 1.950 1.00 0.84 C ATOM 1488 CG ASN A 93 6.461 18.310 1.007 1.00 0.97 C ATOM 1489 OD1 ASN A 93 6.108 19.483 1.001 1.00 1.68 O ATOM 1490 ND2 ASN A 93 7.414 17.880 0.187 1.00 1.70 N ATOM 0 H ASN A 93 7.369 15.265 1.827 1.00 0.75 H new ATOM 0 HA ASN A 93 7.353 17.724 3.354 1.00 0.82 H new ATOM 0 HB2 ASN A 93 5.488 16.432 1.380 1.00 0.84 H new ATOM 0 HB3 ASN A 93 4.922 17.744 2.395 1.00 0.84 H new ATOM 0 HD21 ASN A 93 7.862 18.530 -0.459 1.00 1.70 H new ATOM 0 HD22 ASN A 93 7.697 16.900 0.204 1.00 1.70 H new ATOM 1497 N TYR A 94 5.418 15.139 4.187 1.00 0.87 N ATOM 1498 CA TYR A 94 4.742 14.540 5.335 1.00 0.93 C ATOM 1499 C TYR A 94 5.751 14.286 6.476 1.00 0.99 C ATOM 1500 O TYR A 94 6.879 13.880 6.214 1.00 1.21 O ATOM 1501 CB TYR A 94 4.018 13.266 4.913 1.00 1.04 C ATOM 1502 CG TYR A 94 2.563 13.529 4.573 1.00 1.07 C ATOM 1503 CD1 TYR A 94 2.198 13.942 3.279 1.00 1.46 C ATOM 1504 CD2 TYR A 94 1.584 13.458 5.583 1.00 2.43 C ATOM 1505 CE1 TYR A 94 0.860 14.266 2.999 1.00 1.36 C ATOM 1506 CE2 TYR A 94 0.248 13.785 5.298 1.00 2.56 C ATOM 1507 CZ TYR A 94 -0.109 14.216 4.012 1.00 1.23 C ATOM 1508 OH TYR A 94 -1.420 14.472 3.738 1.00 1.38 O ATOM 0 H TYR A 94 5.415 14.566 3.343 1.00 0.87 H new ATOM 0 HA TYR A 94 3.990 15.232 5.715 1.00 0.93 H new ATOM 0 HB2 TYR A 94 4.520 12.832 4.048 1.00 1.04 H new ATOM 0 HB3 TYR A 94 4.076 12.532 5.717 1.00 1.04 H new ATOM 0 HD1 TYR A 94 2.945 14.010 2.502 1.00 1.46 H new ATOM 0 HD2 TYR A 94 1.862 13.151 6.581 1.00 2.43 H new ATOM 0 HE1 TYR A 94 0.576 14.555 1.998 1.00 1.36 H new ATOM 0 HE2 TYR A 94 -0.504 13.705 6.069 1.00 2.56 H new ATOM 0 HH TYR A 94 -1.564 14.440 2.769 1.00 1.38 H new ATOM 1518 N PRO A 95 5.385 14.493 7.753 1.00 0.91 N ATOM 1519 CA PRO A 95 6.294 14.283 8.876 1.00 1.00 C ATOM 1520 C PRO A 95 6.457 12.784 9.178 1.00 0.93 C ATOM 1521 O PRO A 95 6.015 12.298 10.219 1.00 1.06 O ATOM 1522 CB PRO A 95 5.665 15.066 10.035 1.00 1.06 C ATOM 1523 CG PRO A 95 4.168 14.970 9.739 1.00 0.95 C ATOM 1524 CD PRO A 95 4.123 15.048 8.212 1.00 0.87 C ATOM 0 HA PRO A 95 7.307 14.633 8.676 1.00 1.00 H new ATOM 0 HB2 PRO A 95 5.915 14.628 11.001 1.00 1.06 H new ATOM 0 HB3 PRO A 95 6.007 16.101 10.056 1.00 1.06 H new ATOM 0 HG2 PRO A 95 3.741 14.038 10.110 1.00 0.95 H new ATOM 0 HG3 PRO A 95 3.610 15.784 10.203 1.00 0.95 H new ATOM 0 HD2 PRO A 95 3.279 14.483 7.816 1.00 0.87 H new ATOM 0 HD3 PRO A 95 4.003 16.078 7.876 1.00 0.87 H new ATOM 1532 N LEU A 96 7.084 12.048 8.258 1.00 0.84 N ATOM 1533 CA LEU A 96 7.335 10.614 8.364 1.00 0.75 C ATOM 1534 C LEU A 96 8.793 10.317 8.680 1.00 0.85 C ATOM 1535 O LEU A 96 9.617 11.213 8.858 1.00 1.15 O ATOM 1536 CB LEU A 96 6.831 9.904 7.104 1.00 0.73 C ATOM 1537 CG LEU A 96 7.585 10.206 5.800 1.00 0.89 C ATOM 1538 CD1 LEU A 96 8.824 9.325 5.598 1.00 0.94 C ATOM 1539 CD2 LEU A 96 6.598 9.950 4.661 1.00 0.97 C ATOM 0 H LEU A 96 7.442 12.449 7.391 1.00 0.84 H new ATOM 0 HA LEU A 96 6.773 10.216 9.209 1.00 0.75 H new ATOM 0 HB2 LEU A 96 6.870 8.829 7.279 1.00 0.73 H new ATOM 0 HB3 LEU A 96 5.783 10.166 6.961 1.00 0.73 H new ATOM 0 HG LEU A 96 7.945 11.234 5.831 1.00 0.89 H new ATOM 0 HD11 LEU A 96 9.310 9.590 4.659 1.00 0.94 H new ATOM 0 HD12 LEU A 96 9.520 9.481 6.423 1.00 0.94 H new ATOM 0 HD13 LEU A 96 8.525 8.277 5.569 1.00 0.94 H new ATOM 0 HD21 LEU A 96 7.084 10.150 3.706 1.00 0.97 H new ATOM 0 HD22 LEU A 96 6.270 8.911 4.690 1.00 0.97 H new ATOM 0 HD23 LEU A 96 5.735 10.606 4.773 1.00 0.97 H new ATOM 1551 N SER A 97 9.120 9.030 8.777 1.00 0.75 N ATOM 1552 CA SER A 97 10.461 8.552 8.956 1.00 0.92 C ATOM 1553 C SER A 97 10.552 7.211 8.234 1.00 0.91 C ATOM 1554 O SER A 97 9.716 6.338 8.467 1.00 1.07 O ATOM 1555 CB SER A 97 10.698 8.412 10.455 1.00 1.16 C ATOM 1556 OG SER A 97 10.518 9.659 11.103 1.00 2.73 O ATOM 0 H SER A 97 8.429 8.281 8.730 1.00 0.75 H new ATOM 0 HA SER A 97 11.218 9.223 8.550 1.00 0.92 H new ATOM 0 HB2 SER A 97 10.010 7.676 10.871 1.00 1.16 H new ATOM 0 HB3 SER A 97 11.707 8.043 10.637 1.00 1.16 H new ATOM 0 HG SER A 97 10.672 9.553 12.065 1.00 2.73 H new ATOM 1562 N PHE A 98 11.555 7.053 7.364 1.00 0.80 N ATOM 1563 CA PHE A 98 11.820 5.811 6.637 1.00 0.81 C ATOM 1564 C PHE A 98 12.136 4.628 7.561 1.00 0.79 C ATOM 1565 O PHE A 98 12.113 3.489 7.106 1.00 0.76 O ATOM 1566 CB PHE A 98 12.974 6.025 5.655 1.00 0.87 C ATOM 1567 CG PHE A 98 12.760 7.009 4.511 1.00 0.87 C ATOM 1568 CD1 PHE A 98 11.476 7.448 4.127 1.00 1.61 C ATOM 1569 CD2 PHE A 98 13.868 7.362 3.720 1.00 2.17 C ATOM 1570 CE1 PHE A 98 11.308 8.238 2.980 1.00 1.42 C ATOM 1571 CE2 PHE A 98 13.700 8.148 2.568 1.00 2.53 C ATOM 1572 CZ PHE A 98 12.421 8.607 2.212 1.00 1.36 C ATOM 0 H PHE A 98 12.215 7.798 7.143 1.00 0.80 H new ATOM 0 HA PHE A 98 10.906 5.556 6.100 1.00 0.81 H new ATOM 0 HB2 PHE A 98 13.842 6.358 6.225 1.00 0.87 H new ATOM 0 HB3 PHE A 98 13.229 5.058 5.222 1.00 0.87 H new ATOM 0 HD1 PHE A 98 10.616 7.174 4.720 1.00 1.61 H new ATOM 0 HD2 PHE A 98 14.855 7.026 4.000 1.00 2.17 H new ATOM 0 HE1 PHE A 98 10.320 8.562 2.688 1.00 1.42 H new ATOM 0 HE2 PHE A 98 14.554 8.399 1.956 1.00 2.53 H new ATOM 0 HZ PHE A 98 12.295 9.243 1.348 1.00 1.36 H new ATOM 1582 N ASP A 99 12.424 4.934 8.829 1.00 0.88 N ATOM 1583 CA ASP A 99 12.505 4.110 10.030 1.00 1.03 C ATOM 1584 C ASP A 99 12.273 2.619 9.775 1.00 0.94 C ATOM 1585 O ASP A 99 13.199 1.818 9.874 1.00 1.06 O ATOM 1586 CB ASP A 99 11.515 4.708 11.038 1.00 1.13 C ATOM 1587 CG ASP A 99 11.842 4.350 12.473 1.00 1.45 C ATOM 1588 OD1 ASP A 99 11.647 3.180 12.845 1.00 2.19 O ATOM 1589 OD2 ASP A 99 12.194 5.298 13.212 1.00 2.63 O ATOM 0 H ASP A 99 12.635 5.904 9.064 1.00 0.88 H new ATOM 0 HA ASP A 99 13.520 4.133 10.426 1.00 1.03 H new ATOM 0 HB2 ASP A 99 11.509 5.793 10.933 1.00 1.13 H new ATOM 0 HB3 ASP A 99 10.510 4.359 10.802 1.00 1.13 H new ATOM 1594 N ASN A 100 11.048 2.277 9.373 1.00 0.69 N ATOM 1595 CA ASN A 100 10.725 0.960 8.826 1.00 0.41 C ATOM 1596 C ASN A 100 9.605 1.051 7.787 1.00 0.34 C ATOM 1597 O ASN A 100 8.590 0.356 7.852 1.00 0.60 O ATOM 1598 CB ASN A 100 10.438 -0.041 9.952 1.00 0.76 C ATOM 1599 CG ASN A 100 9.112 0.176 10.679 1.00 1.69 C ATOM 1600 OD1 ASN A 100 8.741 1.305 10.988 1.00 3.87 O ATOM 1601 ND2 ASN A 100 8.371 -0.894 10.968 1.00 1.23 N ATOM 0 H ASN A 100 10.249 2.909 9.418 1.00 0.69 H new ATOM 0 HA ASN A 100 11.594 0.577 8.291 1.00 0.41 H new ATOM 0 HB2 ASN A 100 10.447 -1.048 9.535 1.00 0.76 H new ATOM 0 HB3 ASN A 100 11.248 0.010 10.680 1.00 0.76 H new ATOM 0 HD21 ASN A 100 7.481 -0.782 11.453 1.00 1.23 H new ATOM 0 HD22 ASN A 100 8.694 -1.825 10.704 1.00 1.23 H new ATOM 1608 N TRP A 101 9.848 1.889 6.779 1.00 0.37 N ATOM 1609 CA TRP A 101 8.962 2.155 5.649 1.00 0.35 C ATOM 1610 C TRP A 101 9.679 1.805 4.342 1.00 0.42 C ATOM 1611 O TRP A 101 10.674 2.442 3.994 1.00 0.61 O ATOM 1612 CB TRP A 101 8.508 3.626 5.664 1.00 0.45 C ATOM 1613 CG TRP A 101 7.287 3.995 4.872 1.00 0.49 C ATOM 1614 CD1 TRP A 101 6.874 3.403 3.727 1.00 0.57 C ATOM 1615 CD2 TRP A 101 6.296 5.040 5.154 1.00 0.59 C ATOM 1616 NE1 TRP A 101 5.703 3.975 3.301 1.00 0.70 N ATOM 1617 CE2 TRP A 101 5.296 4.983 4.134 1.00 0.71 C ATOM 1618 CE3 TRP A 101 6.132 6.041 6.148 1.00 0.68 C ATOM 1619 CZ2 TRP A 101 4.206 5.856 4.085 1.00 0.90 C ATOM 1620 CZ3 TRP A 101 5.020 6.904 6.118 1.00 0.89 C ATOM 1621 CH2 TRP A 101 4.104 6.846 5.055 1.00 1.01 C ATOM 0 H TRP A 101 10.713 2.427 6.727 1.00 0.37 H new ATOM 0 HA TRP A 101 8.071 1.533 5.729 1.00 0.35 H new ATOM 0 HB2 TRP A 101 8.332 3.910 6.701 1.00 0.45 H new ATOM 0 HB3 TRP A 101 9.337 4.235 5.303 1.00 0.45 H new ATOM 0 HD1 TRP A 101 7.390 2.599 3.224 1.00 0.57 H new ATOM 0 HE1 TRP A 101 5.196 3.685 2.465 1.00 0.70 H new ATOM 0 HE3 TRP A 101 6.866 6.141 6.933 1.00 0.68 H new ATOM 0 HZ2 TRP A 101 3.459 5.763 3.310 1.00 0.90 H new ATOM 0 HZ3 TRP A 101 4.871 7.615 6.917 1.00 0.89 H new ATOM 0 HH2 TRP A 101 3.313 7.578 4.991 1.00 1.01 H new ATOM 1632 N ASP A 102 9.149 0.828 3.598 1.00 0.37 N ATOM 1633 CA ASP A 102 9.676 0.428 2.297 1.00 0.42 C ATOM 1634 C ASP A 102 8.841 1.111 1.206 1.00 0.49 C ATOM 1635 O ASP A 102 7.800 0.608 0.779 1.00 0.55 O ATOM 1636 CB ASP A 102 9.660 -1.107 2.158 1.00 0.42 C ATOM 1637 CG ASP A 102 11.027 -1.774 2.258 1.00 0.57 C ATOM 1638 OD1 ASP A 102 11.952 -1.297 1.562 1.00 1.63 O ATOM 1639 OD2 ASP A 102 11.117 -2.787 2.990 1.00 1.44 O ATOM 0 H ASP A 102 8.333 0.289 3.889 1.00 0.37 H new ATOM 0 HA ASP A 102 10.715 0.742 2.195 1.00 0.42 H new ATOM 0 HB2 ASP A 102 9.012 -1.521 2.931 1.00 0.42 H new ATOM 0 HB3 ASP A 102 9.215 -1.366 1.197 1.00 0.42 H new ATOM 1644 N PHE A 103 9.312 2.267 0.729 1.00 0.60 N ATOM 1645 CA PHE A 103 8.747 2.907 -0.447 1.00 0.76 C ATOM 1646 C PHE A 103 9.265 2.152 -1.670 1.00 0.80 C ATOM 1647 O PHE A 103 10.436 2.284 -2.036 1.00 0.87 O ATOM 1648 CB PHE A 103 9.133 4.389 -0.495 1.00 0.93 C ATOM 1649 CG PHE A 103 8.357 5.260 0.475 1.00 0.94 C ATOM 1650 CD1 PHE A 103 7.087 5.743 0.109 1.00 1.44 C ATOM 1651 CD2 PHE A 103 8.882 5.571 1.744 1.00 2.33 C ATOM 1652 CE1 PHE A 103 6.380 6.599 0.970 1.00 1.46 C ATOM 1653 CE2 PHE A 103 8.169 6.421 2.609 1.00 2.37 C ATOM 1654 CZ PHE A 103 6.935 6.961 2.208 1.00 1.07 C ATOM 0 H PHE A 103 10.090 2.777 1.148 1.00 0.60 H new ATOM 0 HA PHE A 103 7.658 2.871 -0.422 1.00 0.76 H new ATOM 0 HB2 PHE A 103 10.198 4.484 -0.281 1.00 0.93 H new ATOM 0 HB3 PHE A 103 8.977 4.762 -1.507 1.00 0.93 H new ATOM 0 HD1 PHE A 103 6.654 5.455 -0.837 1.00 1.44 H new ATOM 0 HD2 PHE A 103 9.831 5.158 2.053 1.00 2.33 H new ATOM 0 HE1 PHE A 103 5.411 6.978 0.680 1.00 1.46 H new ATOM 0 HE2 PHE A 103 8.571 6.659 3.583 1.00 2.37 H new ATOM 0 HZ PHE A 103 6.414 7.654 2.852 1.00 1.07 H new ATOM 1664 N LEU A 104 8.394 1.332 -2.260 1.00 0.77 N ATOM 1665 CA LEU A 104 8.669 0.495 -3.411 1.00 0.71 C ATOM 1666 C LEU A 104 8.377 1.238 -4.706 1.00 0.80 C ATOM 1667 O LEU A 104 7.480 2.076 -4.769 1.00 1.01 O ATOM 1668 CB LEU A 104 7.889 -0.823 -3.340 1.00 0.63 C ATOM 1669 CG LEU A 104 8.113 -1.599 -2.034 1.00 0.52 C ATOM 1670 CD1 LEU A 104 7.549 -3.011 -2.188 1.00 0.49 C ATOM 1671 CD2 LEU A 104 9.590 -1.722 -1.658 1.00 0.51 C ATOM 0 H LEU A 104 7.435 1.235 -1.927 1.00 0.77 H new ATOM 0 HA LEU A 104 9.731 0.249 -3.398 1.00 0.71 H new ATOM 0 HB2 LEU A 104 6.825 -0.613 -3.450 1.00 0.63 H new ATOM 0 HB3 LEU A 104 8.178 -1.453 -4.181 1.00 0.63 H new ATOM 0 HG LEU A 104 7.609 -1.041 -1.245 1.00 0.52 H new ATOM 0 HD11 LEU A 104 7.705 -3.568 -1.264 1.00 0.49 H new ATOM 0 HD12 LEU A 104 6.482 -2.955 -2.403 1.00 0.49 H new ATOM 0 HD13 LEU A 104 8.058 -3.519 -3.008 1.00 0.49 H new ATOM 0 HD21 LEU A 104 9.683 -2.280 -0.726 1.00 0.51 H new ATOM 0 HD22 LEU A 104 10.125 -2.246 -2.450 1.00 0.51 H new ATOM 0 HD23 LEU A 104 10.017 -0.727 -1.529 1.00 0.51 H new ATOM 1683 N THR A 105 9.132 0.910 -5.756 1.00 0.69 N ATOM 1684 CA THR A 105 8.838 1.409 -7.084 1.00 0.68 C ATOM 1685 C THR A 105 7.567 0.723 -7.597 1.00 0.71 C ATOM 1686 O THR A 105 6.469 1.268 -7.487 1.00 0.98 O ATOM 1687 CB THR A 105 10.047 1.176 -8.004 1.00 0.59 C ATOM 1688 OG1 THR A 105 10.455 -0.181 -7.963 1.00 0.54 O ATOM 1689 CG2 THR A 105 11.235 2.048 -7.597 1.00 0.77 C ATOM 0 H THR A 105 9.949 0.301 -5.704 1.00 0.69 H new ATOM 0 HA THR A 105 8.655 2.483 -7.065 1.00 0.68 H new ATOM 0 HB THR A 105 9.733 1.442 -9.013 1.00 0.59 H new ATOM 0 HG1 THR A 105 10.948 -0.349 -7.133 1.00 0.54 H new ATOM 0 HG21 THR A 105 12.073 1.858 -8.268 1.00 0.77 H new ATOM 0 HG22 THR A 105 10.953 3.099 -7.658 1.00 0.77 H new ATOM 0 HG23 THR A 105 11.528 1.809 -6.575 1.00 0.77 H new ATOM 1697 N GLY A 106 7.745 -0.470 -8.171 1.00 0.66 N ATOM 1698 CA GLY A 106 6.740 -1.204 -8.929 1.00 0.85 C ATOM 1699 C GLY A 106 7.156 -1.310 -10.397 1.00 0.75 C ATOM 1700 O GLY A 106 6.863 -2.301 -11.056 1.00 1.06 O ATOM 0 H GLY A 106 8.633 -0.968 -8.115 1.00 0.66 H new ATOM 0 HA2 GLY A 106 6.613 -2.201 -8.507 1.00 0.85 H new ATOM 0 HA3 GLY A 106 5.777 -0.700 -8.852 1.00 0.85 H new ATOM 1704 N TYR A 107 7.850 -0.281 -10.891 1.00 0.70 N ATOM 1705 CA TYR A 107 8.170 -0.076 -12.297 1.00 0.68 C ATOM 1706 C TYR A 107 6.892 0.187 -13.099 1.00 0.73 C ATOM 1707 O TYR A 107 5.803 0.270 -12.534 1.00 1.04 O ATOM 1708 CB TYR A 107 9.056 -1.209 -12.847 1.00 0.87 C ATOM 1709 CG TYR A 107 9.902 -0.831 -14.052 1.00 1.18 C ATOM 1710 CD1 TYR A 107 11.037 -0.017 -13.879 1.00 1.86 C ATOM 1711 CD2 TYR A 107 9.559 -1.279 -15.343 1.00 2.45 C ATOM 1712 CE1 TYR A 107 11.812 0.358 -14.989 1.00 2.07 C ATOM 1713 CE2 TYR A 107 10.335 -0.904 -16.453 1.00 2.87 C ATOM 1714 CZ TYR A 107 11.466 -0.089 -16.274 1.00 2.12 C ATOM 1715 OH TYR A 107 12.227 0.274 -17.345 1.00 2.61 O ATOM 0 H TYR A 107 8.217 0.460 -10.293 1.00 0.70 H new ATOM 0 HA TYR A 107 8.779 0.821 -12.405 1.00 0.68 H new ATOM 0 HB2 TYR A 107 9.716 -1.553 -12.051 1.00 0.87 H new ATOM 0 HB3 TYR A 107 8.418 -2.050 -13.118 1.00 0.87 H new ATOM 0 HD1 TYR A 107 11.313 0.320 -12.891 1.00 1.86 H new ATOM 0 HD2 TYR A 107 8.696 -1.913 -15.480 1.00 2.45 H new ATOM 0 HE1 TYR A 107 12.676 0.992 -14.853 1.00 2.07 H new ATOM 0 HE2 TYR A 107 10.063 -1.242 -17.442 1.00 2.87 H new ATOM 0 HH TYR A 107 11.853 -0.120 -18.161 1.00 2.61 H new ATOM 1725 N SER A 108 7.044 0.436 -14.398 1.00 1.06 N ATOM 1726 CA SER A 108 5.987 0.890 -15.284 1.00 1.22 C ATOM 1727 C SER A 108 4.761 -0.015 -15.213 1.00 0.97 C ATOM 1728 O SER A 108 4.903 -1.196 -14.897 1.00 1.00 O ATOM 1729 CB SER A 108 6.552 0.893 -16.703 1.00 1.69 C ATOM 1730 OG SER A 108 7.834 1.497 -16.691 1.00 2.88 O ATOM 0 H SER A 108 7.939 0.322 -14.874 1.00 1.06 H new ATOM 0 HA SER A 108 5.663 1.886 -14.984 1.00 1.22 H new ATOM 0 HB2 SER A 108 6.620 -0.126 -17.083 1.00 1.69 H new ATOM 0 HB3 SER A 108 5.886 1.438 -17.372 1.00 1.69 H new ATOM 0 HG SER A 108 8.524 0.801 -16.686 1.00 2.88 H new ATOM 1736 N GLN A 109 3.587 0.534 -15.567 1.00 1.01 N ATOM 1737 CA GLN A 109 2.303 -0.164 -15.587 1.00 0.94 C ATOM 1738 C GLN A 109 2.461 -1.651 -15.895 1.00 0.89 C ATOM 1739 O GLN A 109 2.054 -2.481 -15.098 1.00 0.93 O ATOM 1740 CB GLN A 109 1.343 0.474 -16.601 1.00 1.15 C ATOM 1741 CG GLN A 109 0.821 1.862 -16.209 1.00 1.45 C ATOM 1742 CD GLN A 109 -0.016 1.814 -14.933 1.00 2.08 C ATOM 1743 OE1 GLN A 109 -1.181 1.443 -14.946 1.00 3.07 O ATOM 1744 NE2 GLN A 109 0.556 2.199 -13.809 1.00 2.29 N ATOM 0 H GLN A 109 3.510 1.509 -15.856 1.00 1.01 H new ATOM 0 HA GLN A 109 1.882 -0.069 -14.586 1.00 0.94 H new ATOM 0 HB2 GLN A 109 1.851 0.551 -17.562 1.00 1.15 H new ATOM 0 HB3 GLN A 109 0.492 -0.192 -16.743 1.00 1.15 H new ATOM 0 HG2 GLN A 109 1.663 2.540 -16.066 1.00 1.45 H new ATOM 0 HG3 GLN A 109 0.220 2.267 -17.023 1.00 1.45 H new ATOM 0 HE21 GLN A 109 1.529 2.506 -13.811 1.00 2.29 H new ATOM 0 HE22 GLN A 109 0.026 2.189 -12.938 1.00 2.29 H new ATOM 1753 N SER A 110 3.083 -1.985 -17.026 1.00 0.98 N ATOM 1754 CA SER A 110 3.186 -3.349 -17.523 1.00 1.11 C ATOM 1755 C SER A 110 3.812 -4.321 -16.515 1.00 1.11 C ATOM 1756 O SER A 110 3.420 -5.483 -16.457 1.00 1.27 O ATOM 1757 CB SER A 110 3.999 -3.314 -18.818 1.00 1.40 C ATOM 1758 OG SER A 110 3.621 -2.176 -19.575 1.00 1.82 O ATOM 0 H SER A 110 3.536 -1.300 -17.630 1.00 0.98 H new ATOM 0 HA SER A 110 2.179 -3.727 -17.699 1.00 1.11 H new ATOM 0 HB2 SER A 110 5.065 -3.278 -18.592 1.00 1.40 H new ATOM 0 HB3 SER A 110 3.827 -4.223 -19.394 1.00 1.40 H new ATOM 0 HG SER A 110 4.141 -2.148 -20.405 1.00 1.82 H new ATOM 1764 N GLU A 111 4.805 -3.855 -15.753 1.00 1.08 N ATOM 1765 CA GLU A 111 5.476 -4.645 -14.731 1.00 1.20 C ATOM 1766 C GLU A 111 4.511 -4.870 -13.567 1.00 1.10 C ATOM 1767 O GLU A 111 4.100 -5.991 -13.272 1.00 1.29 O ATOM 1768 CB GLU A 111 6.758 -3.906 -14.291 1.00 1.23 C ATOM 1769 CG GLU A 111 8.022 -4.638 -14.765 1.00 2.03 C ATOM 1770 CD GLU A 111 8.286 -5.930 -13.999 1.00 2.66 C ATOM 1771 OE1 GLU A 111 7.738 -6.060 -12.885 1.00 3.18 O ATOM 1772 OE2 GLU A 111 9.053 -6.758 -14.536 1.00 3.93 O ATOM 0 H GLU A 111 5.166 -2.905 -15.834 1.00 1.08 H new ATOM 0 HA GLU A 111 5.769 -5.622 -15.116 1.00 1.20 H new ATOM 0 HB2 GLU A 111 6.751 -2.893 -14.693 1.00 1.23 H new ATOM 0 HB3 GLU A 111 6.773 -3.818 -13.205 1.00 1.23 H new ATOM 0 HG2 GLU A 111 7.927 -4.865 -15.827 1.00 2.03 H new ATOM 0 HG3 GLU A 111 8.881 -3.976 -14.656 1.00 2.03 H new ATOM 1779 N ILE A 112 4.124 -3.775 -12.912 1.00 0.91 N ATOM 1780 CA ILE A 112 3.324 -3.853 -11.698 1.00 1.00 C ATOM 1781 C ILE A 112 1.916 -4.418 -11.956 1.00 1.03 C ATOM 1782 O ILE A 112 1.323 -5.001 -11.051 1.00 1.13 O ATOM 1783 CB ILE A 112 3.334 -2.499 -10.966 1.00 1.00 C ATOM 1784 CG1 ILE A 112 2.480 -2.547 -9.688 1.00 1.20 C ATOM 1785 CG2 ILE A 112 2.903 -1.343 -11.874 1.00 1.11 C ATOM 1786 CD1 ILE A 112 3.228 -2.012 -8.472 1.00 1.25 C ATOM 0 H ILE A 112 4.354 -2.825 -13.205 1.00 0.91 H new ATOM 0 HA ILE A 112 3.783 -4.577 -11.025 1.00 1.00 H new ATOM 0 HB ILE A 112 4.367 -2.308 -10.675 1.00 1.00 H new ATOM 0 HG12 ILE A 112 1.572 -1.964 -9.839 1.00 1.20 H new ATOM 0 HG13 ILE A 112 2.171 -3.575 -9.498 1.00 1.20 H new ATOM 0 HG21 ILE A 112 2.927 -0.410 -11.311 1.00 1.11 H new ATOM 0 HG22 ILE A 112 3.584 -1.273 -12.722 1.00 1.11 H new ATOM 0 HG23 ILE A 112 1.891 -1.523 -12.236 1.00 1.11 H new ATOM 0 HD11 ILE A 112 2.583 -2.067 -7.595 1.00 1.25 H new ATOM 0 HD12 ILE A 112 4.123 -2.611 -8.303 1.00 1.25 H new ATOM 0 HD13 ILE A 112 3.514 -0.975 -8.648 1.00 1.25 H new ATOM 1798 N GLU A 113 1.384 -4.256 -13.173 1.00 1.00 N ATOM 1799 CA GLU A 113 0.048 -4.667 -13.584 1.00 1.02 C ATOM 1800 C GLU A 113 -0.341 -5.999 -12.953 1.00 0.92 C ATOM 1801 O GLU A 113 -1.241 -6.028 -12.115 1.00 0.88 O ATOM 1802 CB GLU A 113 -0.050 -4.683 -15.119 1.00 1.21 C ATOM 1803 CG GLU A 113 -1.348 -5.308 -15.651 1.00 1.91 C ATOM 1804 CD GLU A 113 -1.589 -4.991 -17.126 1.00 2.20 C ATOM 1805 OE1 GLU A 113 -0.674 -4.421 -17.758 1.00 2.99 O ATOM 1806 OE2 GLU A 113 -2.704 -5.314 -17.590 1.00 2.79 O ATOM 0 H GLU A 113 1.904 -3.813 -13.931 1.00 1.00 H new ATOM 0 HA GLU A 113 -0.676 -3.938 -13.219 1.00 1.02 H new ATOM 0 HB2 GLU A 113 0.028 -3.661 -15.489 1.00 1.21 H new ATOM 0 HB3 GLU A 113 0.800 -5.234 -15.522 1.00 1.21 H new ATOM 0 HG2 GLU A 113 -1.308 -6.389 -15.517 1.00 1.91 H new ATOM 0 HG3 GLU A 113 -2.190 -4.944 -15.062 1.00 1.91 H new ATOM 1813 N GLU A 114 0.345 -7.091 -13.311 1.00 0.95 N ATOM 1814 CA GLU A 114 -0.042 -8.398 -12.814 1.00 0.93 C ATOM 1815 C GLU A 114 -0.046 -8.393 -11.292 1.00 0.84 C ATOM 1816 O GLU A 114 -1.045 -8.770 -10.691 1.00 0.84 O ATOM 1817 CB GLU A 114 0.818 -9.520 -13.388 1.00 1.02 C ATOM 1818 CG GLU A 114 0.137 -10.872 -13.113 1.00 1.20 C ATOM 1819 CD GLU A 114 0.940 -12.089 -13.550 1.00 1.26 C ATOM 1820 OE1 GLU A 114 1.917 -11.906 -14.305 1.00 1.90 O ATOM 1821 OE2 GLU A 114 0.549 -13.197 -13.113 1.00 1.96 O ATOM 0 H GLU A 114 1.155 -7.088 -13.932 1.00 0.95 H new ATOM 0 HA GLU A 114 -1.055 -8.605 -13.158 1.00 0.93 H new ATOM 0 HB2 GLU A 114 0.953 -9.379 -14.460 1.00 1.02 H new ATOM 0 HB3 GLU A 114 1.810 -9.501 -12.937 1.00 1.02 H new ATOM 0 HG2 GLU A 114 -0.065 -10.951 -12.045 1.00 1.20 H new ATOM 0 HG3 GLU A 114 -0.827 -10.888 -13.621 1.00 1.20 H new ATOM 1828 N PHE A 115 1.043 -7.929 -10.671 1.00 0.80 N ATOM 1829 CA PHE A 115 1.149 -7.900 -9.222 1.00 0.72 C ATOM 1830 C PHE A 115 -0.089 -7.236 -8.613 1.00 0.67 C ATOM 1831 O PHE A 115 -0.810 -7.858 -7.836 1.00 0.67 O ATOM 1832 CB PHE A 115 2.446 -7.201 -8.789 1.00 0.70 C ATOM 1833 CG PHE A 115 2.491 -6.852 -7.312 1.00 0.65 C ATOM 1834 CD1 PHE A 115 2.362 -7.865 -6.346 1.00 1.93 C ATOM 1835 CD2 PHE A 115 2.524 -5.506 -6.902 1.00 1.91 C ATOM 1836 CE1 PHE A 115 2.193 -7.533 -4.990 1.00 1.99 C ATOM 1837 CE2 PHE A 115 2.389 -5.173 -5.544 1.00 1.89 C ATOM 1838 CZ PHE A 115 2.195 -6.185 -4.589 1.00 0.76 C ATOM 0 H PHE A 115 1.863 -7.568 -11.158 1.00 0.80 H new ATOM 0 HA PHE A 115 1.192 -8.923 -8.848 1.00 0.72 H new ATOM 0 HB2 PHE A 115 3.292 -7.846 -9.026 1.00 0.70 H new ATOM 0 HB3 PHE A 115 2.568 -6.288 -9.372 1.00 0.70 H new ATOM 0 HD1 PHE A 115 2.393 -8.902 -6.646 1.00 1.93 H new ATOM 0 HD2 PHE A 115 2.654 -4.724 -7.636 1.00 1.91 H new ATOM 0 HE1 PHE A 115 2.062 -8.314 -4.256 1.00 1.99 H new ATOM 0 HE2 PHE A 115 2.434 -4.139 -5.234 1.00 1.89 H new ATOM 0 HZ PHE A 115 2.048 -5.929 -3.550 1.00 0.76 H new ATOM 1848 N ALA A 116 -0.348 -5.980 -8.964 1.00 0.69 N ATOM 1849 CA ALA A 116 -1.391 -5.191 -8.329 1.00 0.73 C ATOM 1850 C ALA A 116 -2.803 -5.669 -8.690 1.00 0.79 C ATOM 1851 O ALA A 116 -3.723 -5.568 -7.873 1.00 0.82 O ATOM 1852 CB ALA A 116 -1.182 -3.729 -8.690 1.00 0.96 C ATOM 0 H ALA A 116 0.160 -5.484 -9.696 1.00 0.69 H new ATOM 0 HA ALA A 116 -1.313 -5.318 -7.249 1.00 0.73 H new ATOM 0 HB1 ALA A 116 -1.958 -3.124 -8.221 1.00 0.96 H new ATOM 0 HB2 ALA A 116 -0.204 -3.403 -8.336 1.00 0.96 H new ATOM 0 HB3 ALA A 116 -1.235 -3.610 -9.772 1.00 0.96 H new ATOM 1858 N LEU A 117 -3.011 -6.187 -9.899 1.00 0.87 N ATOM 1859 CA LEU A 117 -4.297 -6.735 -10.281 1.00 1.00 C ATOM 1860 C LEU A 117 -4.534 -8.043 -9.542 1.00 1.02 C ATOM 1861 O LEU A 117 -5.493 -8.177 -8.791 1.00 1.04 O ATOM 1862 CB LEU A 117 -4.365 -6.907 -11.796 1.00 1.28 C ATOM 1863 CG LEU A 117 -5.705 -6.406 -12.343 1.00 1.59 C ATOM 1864 CD1 LEU A 117 -5.594 -6.188 -13.847 1.00 3.51 C ATOM 1865 CD2 LEU A 117 -6.795 -7.432 -12.031 1.00 1.90 C ATOM 0 H LEU A 117 -2.299 -6.236 -10.628 1.00 0.87 H new ATOM 0 HA LEU A 117 -5.093 -6.046 -9.999 1.00 1.00 H new ATOM 0 HB2 LEU A 117 -3.548 -6.359 -12.265 1.00 1.28 H new ATOM 0 HB3 LEU A 117 -4.233 -7.958 -12.053 1.00 1.28 H new ATOM 0 HG LEU A 117 -5.965 -5.459 -11.871 1.00 1.59 H new ATOM 0 HD11 LEU A 117 -6.548 -5.832 -14.234 1.00 3.51 H new ATOM 0 HD12 LEU A 117 -4.820 -5.448 -14.051 1.00 3.51 H new ATOM 0 HD13 LEU A 117 -5.334 -7.128 -14.333 1.00 3.51 H new ATOM 0 HD21 LEU A 117 -7.750 -7.078 -12.419 1.00 1.90 H new ATOM 0 HD22 LEU A 117 -6.544 -8.384 -12.499 1.00 1.90 H new ATOM 0 HD23 LEU A 117 -6.870 -7.567 -10.952 1.00 1.90 H new ATOM 1877 N LYS A 118 -3.632 -8.995 -9.761 1.00 1.15 N ATOM 1878 CA LYS A 118 -3.685 -10.333 -9.193 1.00 1.38 C ATOM 1879 C LYS A 118 -3.833 -10.245 -7.672 1.00 1.33 C ATOM 1880 O LYS A 118 -4.686 -10.918 -7.100 1.00 1.52 O ATOM 1881 CB LYS A 118 -2.446 -11.096 -9.659 1.00 1.66 C ATOM 1882 CG LYS A 118 -2.546 -12.625 -9.605 1.00 1.36 C ATOM 1883 CD LYS A 118 -1.471 -13.117 -10.581 1.00 2.32 C ATOM 1884 CE LYS A 118 -1.313 -14.637 -10.660 1.00 2.75 C ATOM 1885 NZ LYS A 118 -0.005 -14.977 -11.254 1.00 3.53 N ATOM 0 H LYS A 118 -2.818 -8.849 -10.359 1.00 1.15 H new ATOM 0 HA LYS A 118 -4.557 -10.888 -9.539 1.00 1.38 H new ATOM 0 HB2 LYS A 118 -2.225 -10.801 -10.685 1.00 1.66 H new ATOM 0 HB3 LYS A 118 -1.599 -10.784 -9.048 1.00 1.66 H new ATOM 0 HG2 LYS A 118 -2.367 -12.999 -8.597 1.00 1.36 H new ATOM 0 HG3 LYS A 118 -3.537 -12.968 -9.901 1.00 1.36 H new ATOM 0 HD2 LYS A 118 -1.706 -12.739 -11.576 1.00 2.32 H new ATOM 0 HD3 LYS A 118 -0.514 -12.682 -10.293 1.00 2.32 H new ATOM 0 HE2 LYS A 118 -1.394 -15.072 -9.664 1.00 2.75 H new ATOM 0 HE3 LYS A 118 -2.117 -15.064 -11.260 1.00 2.75 H new ATOM 0 HZ1 LYS A 118 0.041 -16.001 -11.430 1.00 3.53 H new ATOM 0 HZ2 LYS A 118 0.112 -14.466 -12.152 1.00 3.53 H new ATOM 0 HZ3 LYS A 118 0.755 -14.704 -10.599 1.00 3.53 H new ATOM 1899 N SER A 119 -3.046 -9.374 -7.027 1.00 1.13 N ATOM 1900 CA SER A 119 -3.228 -9.053 -5.626 1.00 1.15 C ATOM 1901 C SER A 119 -4.566 -8.369 -5.339 1.00 1.23 C ATOM 1902 O SER A 119 -5.390 -8.909 -4.606 1.00 1.58 O ATOM 1903 CB SER A 119 -2.090 -8.143 -5.159 1.00 0.99 C ATOM 1904 OG SER A 119 -0.849 -8.792 -5.333 1.00 1.65 O ATOM 0 H SER A 119 -2.271 -8.880 -7.469 1.00 1.13 H new ATOM 0 HA SER A 119 -3.222 -9.997 -5.080 1.00 1.15 H new ATOM 0 HB2 SER A 119 -2.104 -7.211 -5.724 1.00 0.99 H new ATOM 0 HB3 SER A 119 -2.229 -7.882 -4.110 1.00 0.99 H new ATOM 0 HG SER A 119 -0.522 -8.635 -6.243 1.00 1.65 H new ATOM 1910 N PHE A 120 -4.731 -7.129 -5.810 1.00 0.99 N ATOM 1911 CA PHE A 120 -5.779 -6.235 -5.340 1.00 1.04 C ATOM 1912 C PHE A 120 -6.949 -6.181 -6.314 1.00 1.07 C ATOM 1913 O PHE A 120 -8.076 -6.359 -5.864 1.00 1.29 O ATOM 1914 CB PHE A 120 -5.223 -4.835 -5.018 1.00 1.05 C ATOM 1915 CG PHE A 120 -4.203 -4.731 -3.888 1.00 1.06 C ATOM 1916 CD1 PHE A 120 -4.075 -5.733 -2.901 1.00 1.97 C ATOM 1917 CD2 PHE A 120 -3.480 -3.529 -3.742 1.00 2.48 C ATOM 1918 CE1 PHE A 120 -3.211 -5.546 -1.808 1.00 1.85 C ATOM 1919 CE2 PHE A 120 -2.620 -3.343 -2.644 1.00 2.62 C ATOM 1920 CZ PHE A 120 -2.478 -4.355 -1.680 1.00 1.19 C ATOM 0 H PHE A 120 -4.136 -6.721 -6.531 1.00 0.99 H new ATOM 0 HA PHE A 120 -6.167 -6.644 -4.407 1.00 1.04 H new ATOM 0 HB2 PHE A 120 -4.765 -4.437 -5.924 1.00 1.05 H new ATOM 0 HB3 PHE A 120 -6.064 -4.186 -4.774 1.00 1.05 H new ATOM 0 HD1 PHE A 120 -4.644 -6.647 -2.986 1.00 1.97 H new ATOM 0 HD2 PHE A 120 -3.587 -2.746 -4.478 1.00 2.48 H new ATOM 0 HE1 PHE A 120 -3.110 -6.322 -1.063 1.00 1.85 H new ATOM 0 HE2 PHE A 120 -2.068 -2.420 -2.542 1.00 2.62 H new ATOM 0 HZ PHE A 120 -1.808 -4.218 -0.844 1.00 1.19 H new ATOM 1930 N LYS A 121 -6.713 -6.004 -7.617 1.00 1.10 N ATOM 1931 CA LYS A 121 -7.545 -5.299 -8.598 1.00 1.35 C ATOM 1932 C LYS A 121 -7.149 -3.836 -8.791 1.00 1.53 C ATOM 1933 O LYS A 121 -7.975 -3.035 -9.215 1.00 2.15 O ATOM 1934 CB LYS A 121 -9.070 -5.473 -8.355 1.00 1.48 C ATOM 1935 CG LYS A 121 -9.926 -4.441 -7.571 1.00 1.65 C ATOM 1936 CD LYS A 121 -9.314 -3.642 -6.405 1.00 1.76 C ATOM 1937 CE LYS A 121 -10.383 -2.818 -5.668 1.00 1.87 C ATOM 1938 NZ LYS A 121 -9.804 -1.869 -4.689 1.00 2.54 N ATOM 0 H LYS A 121 -5.868 -6.380 -8.048 1.00 1.10 H new ATOM 0 HA LYS A 121 -7.335 -5.794 -9.546 1.00 1.35 H new ATOM 0 HB2 LYS A 121 -9.530 -5.573 -9.338 1.00 1.48 H new ATOM 0 HB3 LYS A 121 -9.195 -6.429 -7.846 1.00 1.48 H new ATOM 0 HG2 LYS A 121 -10.300 -3.717 -8.295 1.00 1.65 H new ATOM 0 HG3 LYS A 121 -10.791 -4.974 -7.177 1.00 1.65 H new ATOM 0 HD2 LYS A 121 -8.834 -4.326 -5.706 1.00 1.76 H new ATOM 0 HD3 LYS A 121 -8.538 -2.978 -6.785 1.00 1.76 H new ATOM 0 HE2 LYS A 121 -10.975 -2.264 -6.397 1.00 1.87 H new ATOM 0 HE3 LYS A 121 -11.064 -3.494 -5.152 1.00 1.87 H new ATOM 0 HZ1 LYS A 121 -10.569 -1.341 -4.223 1.00 2.54 H new ATOM 0 HZ2 LYS A 121 -9.261 -2.395 -3.975 1.00 2.54 H new ATOM 0 HZ3 LYS A 121 -9.174 -1.203 -5.181 1.00 2.54 H new ATOM 1952 N ALA A 122 -5.880 -3.493 -8.536 1.00 1.22 N ATOM 1953 CA ALA A 122 -5.370 -2.139 -8.701 1.00 1.41 C ATOM 1954 C ALA A 122 -4.427 -2.051 -9.901 1.00 1.43 C ATOM 1955 O ALA A 122 -3.913 -3.067 -10.362 1.00 2.34 O ATOM 1956 CB ALA A 122 -4.684 -1.694 -7.405 1.00 1.50 C ATOM 0 H ALA A 122 -5.179 -4.157 -8.207 1.00 1.22 H new ATOM 0 HA ALA A 122 -6.200 -1.463 -8.903 1.00 1.41 H new ATOM 0 HB1 ALA A 122 -4.301 -0.681 -7.525 1.00 1.50 H new ATOM 0 HB2 ALA A 122 -5.404 -1.715 -6.587 1.00 1.50 H new ATOM 0 HB3 ALA A 122 -3.859 -2.369 -7.180 1.00 1.50 H new ATOM 1962 N ILE A 123 -4.187 -0.810 -10.345 1.00 1.31 N ATOM 1963 CA ILE A 123 -3.251 -0.411 -11.399 1.00 1.26 C ATOM 1964 C ILE A 123 -3.824 -0.710 -12.795 1.00 1.45 C ATOM 1965 O ILE A 123 -4.881 -1.331 -12.893 1.00 2.49 O ATOM 1966 CB ILE A 123 -1.840 -0.978 -11.122 1.00 2.58 C ATOM 1967 CG1 ILE A 123 -1.369 -0.653 -9.688 1.00 4.37 C ATOM 1968 CG2 ILE A 123 -0.781 -0.469 -12.101 1.00 3.77 C ATOM 1969 CD1 ILE A 123 -1.129 0.833 -9.421 1.00 5.86 C ATOM 0 H ILE A 123 -4.675 -0.006 -9.950 1.00 1.31 H new ATOM 0 HA ILE A 123 -3.123 0.671 -11.388 1.00 1.26 H new ATOM 0 HB ILE A 123 -1.940 -2.056 -11.252 1.00 2.58 H new ATOM 0 HG12 ILE A 123 -2.114 -1.020 -8.982 1.00 4.37 H new ATOM 0 HG13 ILE A 123 -0.446 -1.198 -9.490 1.00 4.37 H new ATOM 0 HG21 ILE A 123 0.186 -0.905 -11.850 1.00 3.77 H new ATOM 0 HG22 ILE A 123 -1.056 -0.755 -13.116 1.00 3.77 H new ATOM 0 HG23 ILE A 123 -0.717 0.617 -12.035 1.00 3.77 H new ATOM 0 HD11 ILE A 123 -0.801 0.969 -8.390 1.00 5.86 H new ATOM 0 HD12 ILE A 123 -0.360 1.205 -10.099 1.00 5.86 H new ATOM 0 HD13 ILE A 123 -2.054 1.386 -9.583 1.00 5.86 H new ATOM 2201 N SER A 138 -5.996 4.575 1.977 1.00 1.61 N ATOM 2202 CA SER A 138 -6.374 3.306 2.570 1.00 1.18 C ATOM 2203 C SER A 138 -5.155 2.615 3.173 1.00 1.16 C ATOM 2204 O SER A 138 -4.021 3.044 2.970 1.00 1.85 O ATOM 2205 CB SER A 138 -7.145 2.413 1.591 1.00 1.32 C ATOM 2206 OG SER A 138 -7.999 3.194 0.771 1.00 1.64 O ATOM 0 HA SER A 138 -7.070 3.507 3.385 1.00 1.18 H new ATOM 0 HB2 SER A 138 -6.444 1.856 0.969 1.00 1.32 H new ATOM 0 HB3 SER A 138 -7.733 1.680 2.144 1.00 1.32 H new ATOM 0 HG SER A 138 -8.589 3.736 1.336 1.00 1.64 H new ATOM 2212 N PHE A 139 -5.412 1.555 3.933 1.00 0.69 N ATOM 2213 CA PHE A 139 -4.438 0.774 4.662 1.00 0.64 C ATOM 2214 C PHE A 139 -4.793 -0.692 4.460 1.00 0.60 C ATOM 2215 O PHE A 139 -5.973 -1.040 4.401 1.00 0.66 O ATOM 2216 CB PHE A 139 -4.524 1.092 6.157 1.00 0.83 C ATOM 2217 CG PHE A 139 -3.237 1.648 6.720 1.00 0.89 C ATOM 2218 CD1 PHE A 139 -2.074 0.853 6.699 1.00 2.13 C ATOM 2219 CD2 PHE A 139 -3.173 2.977 7.174 1.00 1.68 C ATOM 2220 CE1 PHE A 139 -0.855 1.386 7.140 1.00 2.47 C ATOM 2221 CE2 PHE A 139 -1.959 3.490 7.659 1.00 1.67 C ATOM 2222 CZ PHE A 139 -0.807 2.685 7.660 1.00 1.52 C ATOM 0 H PHE A 139 -6.362 1.204 4.059 1.00 0.69 H new ATOM 0 HA PHE A 139 -3.432 0.999 4.307 1.00 0.64 H new ATOM 0 HB2 PHE A 139 -5.327 1.810 6.324 1.00 0.83 H new ATOM 0 HB3 PHE A 139 -4.789 0.185 6.701 1.00 0.83 H new ATOM 0 HD1 PHE A 139 -2.122 -0.166 6.344 1.00 2.13 H new ATOM 0 HD2 PHE A 139 -4.054 3.601 7.150 1.00 1.68 H new ATOM 0 HE1 PHE A 139 0.047 0.795 7.079 1.00 2.47 H new ATOM 0 HE2 PHE A 139 -1.911 4.503 8.031 1.00 1.67 H new ATOM 0 HZ PHE A 139 0.118 3.070 8.063 1.00 1.52 H new ATOM 2232 N TYR A 140 -3.762 -1.526 4.387 1.00 0.59 N ATOM 2233 CA TYR A 140 -3.832 -2.973 4.254 1.00 0.62 C ATOM 2234 C TYR A 140 -2.894 -3.570 5.312 1.00 0.70 C ATOM 2235 O TYR A 140 -1.744 -3.138 5.398 1.00 1.00 O ATOM 2236 CB TYR A 140 -3.375 -3.361 2.834 1.00 0.75 C ATOM 2237 CG TYR A 140 -4.403 -3.175 1.730 1.00 0.79 C ATOM 2238 CD1 TYR A 140 -4.901 -1.898 1.403 1.00 2.02 C ATOM 2239 CD2 TYR A 140 -4.887 -4.296 1.033 1.00 1.80 C ATOM 2240 CE1 TYR A 140 -6.056 -1.783 0.609 1.00 2.16 C ATOM 2241 CE2 TYR A 140 -5.991 -4.171 0.181 1.00 1.88 C ATOM 2242 CZ TYR A 140 -6.653 -2.939 0.079 1.00 1.27 C ATOM 2243 OH TYR A 140 -7.955 -2.918 -0.313 1.00 1.73 O ATOM 0 H TYR A 140 -2.800 -1.189 4.421 1.00 0.59 H new ATOM 0 HA TYR A 140 -4.845 -3.348 4.403 1.00 0.62 H new ATOM 0 HB2 TYR A 140 -2.492 -2.773 2.584 1.00 0.75 H new ATOM 0 HB3 TYR A 140 -3.068 -4.407 2.845 1.00 0.75 H new ATOM 0 HD1 TYR A 140 -4.398 -1.012 1.761 1.00 2.02 H new ATOM 0 HD2 TYR A 140 -4.406 -5.255 1.155 1.00 1.80 H new ATOM 0 HE1 TYR A 140 -6.482 -0.811 0.408 1.00 2.16 H new ATOM 0 HE2 TYR A 140 -6.331 -5.019 -0.395 1.00 1.88 H new ATOM 0 HH TYR A 140 -8.504 -3.385 0.351 1.00 1.73 H new ATOM 2253 N LEU A 141 -3.350 -4.537 6.118 1.00 0.56 N ATOM 2254 CA LEU A 141 -2.482 -5.300 7.022 1.00 0.57 C ATOM 2255 C LEU A 141 -2.275 -6.678 6.428 1.00 0.58 C ATOM 2256 O LEU A 141 -3.196 -7.499 6.408 1.00 0.62 O ATOM 2257 CB LEU A 141 -3.084 -5.363 8.432 1.00 0.58 C ATOM 2258 CG LEU A 141 -2.284 -6.242 9.423 1.00 0.57 C ATOM 2259 CD1 LEU A 141 -2.395 -5.619 10.821 1.00 0.83 C ATOM 2260 CD2 LEU A 141 -2.830 -7.676 9.509 1.00 0.72 C ATOM 0 H LEU A 141 -4.331 -4.812 6.161 1.00 0.56 H new ATOM 0 HA LEU A 141 -1.515 -4.808 7.124 1.00 0.57 H new ATOM 0 HB2 LEU A 141 -3.150 -4.351 8.832 1.00 0.58 H new ATOM 0 HB3 LEU A 141 -4.102 -5.746 8.364 1.00 0.58 H new ATOM 0 HG LEU A 141 -1.255 -6.287 9.067 1.00 0.57 H new ATOM 0 HD11 LEU A 141 -1.837 -6.225 11.535 1.00 0.83 H new ATOM 0 HD12 LEU A 141 -1.985 -4.609 10.803 1.00 0.83 H new ATOM 0 HD13 LEU A 141 -3.443 -5.580 11.120 1.00 0.83 H new ATOM 0 HD21 LEU A 141 -2.233 -8.251 10.218 1.00 0.72 H new ATOM 0 HD22 LEU A 141 -3.867 -7.651 9.844 1.00 0.72 H new ATOM 0 HD23 LEU A 141 -2.777 -8.145 8.526 1.00 0.72 H new ATOM 2272 N VAL A 142 -1.069 -6.916 5.910 1.00 0.53 N ATOM 2273 CA VAL A 142 -0.769 -8.161 5.253 1.00 0.53 C ATOM 2274 C VAL A 142 -0.414 -9.158 6.347 1.00 0.59 C ATOM 2275 O VAL A 142 0.357 -8.848 7.254 1.00 0.75 O ATOM 2276 CB VAL A 142 0.342 -7.970 4.219 1.00 0.61 C ATOM 2277 CG1 VAL A 142 0.451 -9.251 3.374 1.00 0.69 C ATOM 2278 CG2 VAL A 142 0.077 -6.749 3.322 1.00 0.67 C ATOM 0 H VAL A 142 -0.293 -6.255 5.940 1.00 0.53 H new ATOM 0 HA VAL A 142 -1.620 -8.540 4.687 1.00 0.53 H new ATOM 0 HB VAL A 142 1.282 -7.784 4.738 1.00 0.61 H new ATOM 0 HG11 VAL A 142 1.240 -9.131 2.631 1.00 0.69 H new ATOM 0 HG12 VAL A 142 0.688 -10.095 4.022 1.00 0.69 H new ATOM 0 HG13 VAL A 142 -0.497 -9.436 2.870 1.00 0.69 H new ATOM 0 HG21 VAL A 142 0.887 -6.645 2.600 1.00 0.67 H new ATOM 0 HG22 VAL A 142 -0.866 -6.884 2.792 1.00 0.67 H new ATOM 0 HG23 VAL A 142 0.022 -5.851 3.937 1.00 0.67 H new ATOM 2288 N GLY A 143 -1.013 -10.346 6.296 1.00 0.57 N ATOM 2289 CA GLY A 143 -0.683 -11.400 7.230 1.00 0.64 C ATOM 2290 C GLY A 143 0.770 -11.840 7.038 1.00 0.86 C ATOM 2291 O GLY A 143 1.430 -11.431 6.082 1.00 0.99 O ATOM 0 H GLY A 143 -1.729 -10.595 5.614 1.00 0.57 H new ATOM 0 HA2 GLY A 143 -0.833 -11.051 8.252 1.00 0.64 H new ATOM 0 HA3 GLY A 143 -1.350 -12.249 7.082 1.00 0.64 H new ATOM 2295 N PRO A 144 1.258 -12.745 7.895 1.00 0.96 N ATOM 2296 CA PRO A 144 2.621 -13.268 7.864 1.00 1.11 C ATOM 2297 C PRO A 144 2.827 -14.261 6.711 1.00 1.17 C ATOM 2298 O PRO A 144 3.576 -15.227 6.843 1.00 1.87 O ATOM 2299 CB PRO A 144 2.778 -13.922 9.243 1.00 1.38 C ATOM 2300 CG PRO A 144 1.374 -14.441 9.549 1.00 1.30 C ATOM 2301 CD PRO A 144 0.491 -13.335 8.977 1.00 1.10 C ATOM 0 HA PRO A 144 3.371 -12.499 7.682 1.00 1.11 H new ATOM 0 HB2 PRO A 144 3.510 -14.730 9.224 1.00 1.38 H new ATOM 0 HB3 PRO A 144 3.114 -13.205 9.992 1.00 1.38 H new ATOM 0 HG2 PRO A 144 1.182 -15.403 9.073 1.00 1.30 H new ATOM 0 HG3 PRO A 144 1.214 -14.578 10.619 1.00 1.30 H new ATOM 0 HD2 PRO A 144 -0.455 -13.737 8.614 1.00 1.10 H new ATOM 0 HD3 PRO A 144 0.251 -12.592 9.738 1.00 1.10 H new ATOM 2309 N ASP A 145 2.178 -14.019 5.571 1.00 1.62 N ATOM 2310 CA ASP A 145 1.958 -14.978 4.510 1.00 1.41 C ATOM 2311 C ASP A 145 1.994 -14.277 3.154 1.00 1.34 C ATOM 2312 O ASP A 145 2.857 -14.573 2.328 1.00 2.26 O ATOM 2313 CB ASP A 145 0.622 -15.685 4.724 1.00 1.67 C ATOM 2314 CG ASP A 145 0.176 -16.349 3.433 1.00 2.39 C ATOM 2315 OD1 ASP A 145 0.900 -17.273 2.998 1.00 3.43 O ATOM 2316 OD2 ASP A 145 -0.809 -15.836 2.863 1.00 3.71 O ATOM 0 H ASP A 145 1.777 -13.105 5.362 1.00 1.62 H new ATOM 0 HA ASP A 145 2.751 -15.725 4.527 1.00 1.41 H new ATOM 0 HB2 ASP A 145 0.718 -16.431 5.513 1.00 1.67 H new ATOM 0 HB3 ASP A 145 -0.130 -14.968 5.053 1.00 1.67 H new ATOM 2321 N GLY A 146 1.012 -13.412 2.916 1.00 0.70 N ATOM 2322 CA GLY A 146 0.640 -12.986 1.578 1.00 0.67 C ATOM 2323 C GLY A 146 -0.831 -12.588 1.559 1.00 0.59 C ATOM 2324 O GLY A 146 -1.202 -11.619 0.908 1.00 0.83 O ATOM 0 H GLY A 146 0.451 -12.986 3.654 1.00 0.70 H new ATOM 0 HA2 GLY A 146 1.259 -12.144 1.268 1.00 0.67 H new ATOM 0 HA3 GLY A 146 0.818 -13.792 0.866 1.00 0.67 H new ATOM 2328 N LYS A 147 -1.676 -13.287 2.318 1.00 0.63 N ATOM 2329 CA LYS A 147 -3.060 -12.862 2.477 1.00 0.56 C ATOM 2330 C LYS A 147 -3.200 -11.665 3.410 1.00 0.54 C ATOM 2331 O LYS A 147 -2.691 -11.683 4.529 1.00 0.65 O ATOM 2332 CB LYS A 147 -3.989 -14.015 2.822 1.00 0.69 C ATOM 2333 CG LYS A 147 -3.570 -14.829 4.046 1.00 0.70 C ATOM 2334 CD LYS A 147 -3.781 -16.329 3.776 1.00 1.00 C ATOM 2335 CE LYS A 147 -5.285 -16.608 3.661 1.00 2.50 C ATOM 2336 NZ LYS A 147 -5.631 -17.779 2.831 1.00 3.54 N ATOM 0 H LYS A 147 -1.428 -14.137 2.824 1.00 0.63 H new ATOM 0 HA LYS A 147 -3.391 -12.508 1.501 1.00 0.56 H new ATOM 0 HB2 LYS A 147 -4.990 -13.619 2.992 1.00 0.69 H new ATOM 0 HB3 LYS A 147 -4.052 -14.683 1.963 1.00 0.69 H new ATOM 0 HG2 LYS A 147 -2.523 -14.637 4.280 1.00 0.70 H new ATOM 0 HG3 LYS A 147 -4.153 -14.522 4.915 1.00 0.70 H new ATOM 0 HD2 LYS A 147 -3.272 -16.622 2.857 1.00 1.00 H new ATOM 0 HD3 LYS A 147 -3.349 -16.921 4.582 1.00 1.00 H new ATOM 0 HE2 LYS A 147 -5.691 -16.756 4.662 1.00 2.50 H new ATOM 0 HE3 LYS A 147 -5.774 -15.727 3.245 1.00 2.50 H new ATOM 0 HZ1 LYS A 147 -6.661 -17.925 2.848 1.00 3.54 H new ATOM 0 HZ2 LYS A 147 -5.321 -17.614 1.852 1.00 3.54 H new ATOM 0 HZ3 LYS A 147 -5.155 -18.624 3.207 1.00 3.54 H new ATOM 2350 N VAL A 148 -3.899 -10.626 2.943 1.00 0.57 N ATOM 2351 CA VAL A 148 -4.328 -9.501 3.762 1.00 0.58 C ATOM 2352 C VAL A 148 -5.640 -9.883 4.446 1.00 0.53 C ATOM 2353 O VAL A 148 -6.558 -10.379 3.786 1.00 0.66 O ATOM 2354 CB VAL A 148 -4.470 -8.219 2.923 1.00 0.79 C ATOM 2355 CG1 VAL A 148 -4.501 -6.967 3.801 1.00 1.20 C ATOM 2356 CG2 VAL A 148 -3.313 -8.090 1.920 1.00 1.37 C ATOM 0 H VAL A 148 -4.185 -10.547 1.967 1.00 0.57 H new ATOM 0 HA VAL A 148 -3.575 -9.284 4.519 1.00 0.58 H new ATOM 0 HB VAL A 148 -5.416 -8.299 2.388 1.00 0.79 H new ATOM 0 HG11 VAL A 148 -4.602 -6.083 3.171 1.00 1.20 H new ATOM 0 HG12 VAL A 148 -5.347 -7.023 4.486 1.00 1.20 H new ATOM 0 HG13 VAL A 148 -3.576 -6.901 4.373 1.00 1.20 H new ATOM 0 HG21 VAL A 148 -3.436 -7.176 1.339 1.00 1.37 H new ATOM 0 HG22 VAL A 148 -2.366 -8.053 2.459 1.00 1.37 H new ATOM 0 HG23 VAL A 148 -3.315 -8.949 1.250 1.00 1.37 H new ATOM 2366 N LEU A 149 -5.690 -9.701 5.768 1.00 0.46 N ATOM 2367 CA LEU A 149 -6.814 -10.109 6.607 1.00 0.49 C ATOM 2368 C LEU A 149 -7.663 -8.908 7.020 1.00 0.51 C ATOM 2369 O LEU A 149 -8.808 -9.086 7.445 1.00 0.58 O ATOM 2370 CB LEU A 149 -6.309 -10.813 7.875 1.00 0.62 C ATOM 2371 CG LEU A 149 -5.827 -12.259 7.678 1.00 0.71 C ATOM 2372 CD1 LEU A 149 -4.595 -12.349 6.777 1.00 1.62 C ATOM 2373 CD2 LEU A 149 -5.470 -12.851 9.047 1.00 1.32 C ATOM 0 H LEU A 149 -4.936 -9.258 6.292 1.00 0.46 H new ATOM 0 HA LEU A 149 -7.426 -10.793 6.019 1.00 0.49 H new ATOM 0 HB2 LEU A 149 -5.489 -10.228 8.293 1.00 0.62 H new ATOM 0 HB3 LEU A 149 -7.110 -10.812 8.614 1.00 0.62 H new ATOM 0 HG LEU A 149 -6.634 -12.811 7.197 1.00 0.71 H new ATOM 0 HD11 LEU A 149 -4.297 -13.392 6.672 1.00 1.62 H new ATOM 0 HD12 LEU A 149 -4.831 -11.938 5.795 1.00 1.62 H new ATOM 0 HD13 LEU A 149 -3.777 -11.781 7.221 1.00 1.62 H new ATOM 0 HD21 LEU A 149 -5.126 -13.878 8.921 1.00 1.32 H new ATOM 0 HD22 LEU A 149 -4.679 -12.257 9.505 1.00 1.32 H new ATOM 0 HD23 LEU A 149 -6.351 -12.839 9.689 1.00 1.32 H new ATOM 2385 N LYS A 150 -7.104 -7.694 6.965 1.00 0.48 N ATOM 2386 CA LYS A 150 -7.792 -6.481 7.352 1.00 0.49 C ATOM 2387 C LYS A 150 -7.406 -5.334 6.408 1.00 0.51 C ATOM 2388 O LYS A 150 -6.214 -5.126 6.152 1.00 0.57 O ATOM 2389 CB LYS A 150 -7.477 -6.162 8.815 1.00 0.58 C ATOM 2390 CG LYS A 150 -8.191 -7.051 9.856 1.00 0.68 C ATOM 2391 CD LYS A 150 -9.640 -6.625 10.173 1.00 1.67 C ATOM 2392 CE LYS A 150 -10.786 -7.582 9.772 1.00 3.15 C ATOM 2393 NZ LYS A 150 -11.013 -7.705 8.315 1.00 4.74 N ATOM 0 H LYS A 150 -6.149 -7.536 6.645 1.00 0.48 H new ATOM 0 HA LYS A 150 -8.870 -6.617 7.267 1.00 0.49 H new ATOM 0 HB2 LYS A 150 -6.401 -6.250 8.965 1.00 0.58 H new ATOM 0 HB3 LYS A 150 -7.742 -5.122 9.008 1.00 0.58 H new ATOM 0 HG2 LYS A 150 -8.199 -8.079 9.493 1.00 0.68 H new ATOM 0 HG3 LYS A 150 -7.613 -7.043 10.780 1.00 0.68 H new ATOM 0 HD2 LYS A 150 -9.709 -6.454 11.247 1.00 1.67 H new ATOM 0 HD3 LYS A 150 -9.820 -5.667 9.685 1.00 1.67 H new ATOM 0 HE2 LYS A 150 -10.572 -8.571 10.177 1.00 3.15 H new ATOM 0 HE3 LYS A 150 -11.708 -7.238 10.241 1.00 3.15 H new ATOM 0 HZ1 LYS A 150 -11.971 -8.072 8.143 1.00 4.74 H new ATOM 0 HZ2 LYS A 150 -10.914 -6.771 7.868 1.00 4.74 H new ATOM 0 HZ3 LYS A 150 -10.314 -8.359 7.909 1.00 4.74 H new ATOM 2407 N ASP A 151 -8.427 -4.614 5.928 1.00 0.62 N ATOM 2408 CA ASP A 151 -8.358 -3.485 5.002 1.00 0.77 C ATOM 2409 C ASP A 151 -9.104 -2.345 5.704 1.00 1.05 C ATOM 2410 O ASP A 151 -10.175 -2.560 6.259 1.00 1.73 O ATOM 2411 CB ASP A 151 -9.056 -3.820 3.672 1.00 0.93 C ATOM 2412 CG ASP A 151 -8.346 -4.775 2.721 1.00 1.33 C ATOM 2413 OD1 ASP A 151 -7.547 -5.619 3.179 1.00 2.47 O ATOM 2414 OD2 ASP A 151 -8.643 -4.647 1.510 1.00 2.29 O ATOM 0 H ASP A 151 -9.389 -4.822 6.197 1.00 0.62 H new ATOM 0 HA ASP A 151 -7.326 -3.228 4.764 1.00 0.77 H new ATOM 0 HB2 ASP A 151 -10.034 -4.242 3.903 1.00 0.93 H new ATOM 0 HB3 ASP A 151 -9.231 -2.885 3.140 1.00 0.93 H new ATOM 2419 N TYR A 152 -8.560 -1.132 5.715 1.00 0.77 N ATOM 2420 CA TYR A 152 -9.037 -0.048 6.565 1.00 0.74 C ATOM 2421 C TYR A 152 -8.742 1.263 5.848 1.00 0.72 C ATOM 2422 O TYR A 152 -7.913 1.274 4.939 1.00 0.79 O ATOM 2423 CB TYR A 152 -8.382 -0.111 7.952 1.00 0.95 C ATOM 2424 CG TYR A 152 -9.222 0.570 9.014 1.00 1.51 C ATOM 2425 CD1 TYR A 152 -10.332 -0.110 9.549 1.00 2.54 C ATOM 2426 CD2 TYR A 152 -9.026 1.931 9.317 1.00 2.97 C ATOM 2427 CE1 TYR A 152 -11.253 0.572 10.362 1.00 3.87 C ATOM 2428 CE2 TYR A 152 -9.967 2.619 10.102 1.00 4.38 C ATOM 2429 CZ TYR A 152 -11.081 1.940 10.623 1.00 4.60 C ATOM 2430 OH TYR A 152 -12.017 2.610 11.352 1.00 6.21 O ATOM 0 H TYR A 152 -7.768 -0.872 5.128 1.00 0.77 H new ATOM 0 HA TYR A 152 -10.110 -0.134 6.735 1.00 0.74 H new ATOM 0 HB2 TYR A 152 -8.223 -1.153 8.230 1.00 0.95 H new ATOM 0 HB3 TYR A 152 -7.400 0.361 7.910 1.00 0.95 H new ATOM 0 HD1 TYR A 152 -10.476 -1.159 9.334 1.00 2.54 H new ATOM 0 HD2 TYR A 152 -8.152 2.446 8.946 1.00 2.97 H new ATOM 0 HE1 TYR A 152 -12.094 0.043 10.786 1.00 3.87 H new ATOM 0 HE2 TYR A 152 -9.834 3.671 10.305 1.00 4.38 H new ATOM 0 HH TYR A 152 -11.750 3.548 11.444 1.00 6.21 H new ATOM 2440 N ASN A 153 -9.407 2.362 6.218 1.00 0.79 N ATOM 2441 CA ASN A 153 -9.223 3.636 5.562 1.00 0.95 C ATOM 2442 C ASN A 153 -8.847 4.682 6.580 1.00 1.21 C ATOM 2443 O ASN A 153 -9.552 4.861 7.569 1.00 2.57 O ATOM 2444 CB ASN A 153 -10.440 4.026 4.741 1.00 1.04 C ATOM 2445 CG ASN A 153 -9.997 5.030 3.690 1.00 1.55 C ATOM 2446 OD1 ASN A 153 -9.608 4.676 2.580 1.00 2.29 O ATOM 2447 ND2 ASN A 153 -9.969 6.298 4.071 1.00 2.16 N ATOM 0 H ASN A 153 -10.084 2.381 6.981 1.00 0.79 H new ATOM 0 HA ASN A 153 -8.402 3.553 4.850 1.00 0.95 H new ATOM 0 HB2 ASN A 153 -10.878 3.147 4.268 1.00 1.04 H new ATOM 0 HB3 ASN A 153 -11.209 4.459 5.381 1.00 1.04 H new ATOM 0 HD21 ASN A 153 -9.617 7.014 3.435 1.00 2.16 H new ATOM 0 HD22 ASN A 153 -10.300 6.559 5.000 1.00 2.16 H new ATOM 2520 N PRO A 159 -13.893 2.078 5.336 1.00 1.28 N ATOM 2521 CA PRO A 159 -12.735 1.363 5.856 1.00 1.15 C ATOM 2522 C PRO A 159 -12.188 0.347 4.860 1.00 1.03 C ATOM 2523 O PRO A 159 -11.007 0.392 4.551 1.00 1.21 O ATOM 2524 CB PRO A 159 -13.145 0.749 7.198 1.00 1.30 C ATOM 2525 CG PRO A 159 -14.670 0.767 7.161 1.00 1.25 C ATOM 2526 CD PRO A 159 -14.992 1.972 6.279 1.00 1.31 C ATOM 0 HA PRO A 159 -11.901 2.046 6.015 1.00 1.15 H new ATOM 0 HB2 PRO A 159 -12.760 -0.265 7.307 1.00 1.30 H new ATOM 0 HB3 PRO A 159 -12.759 1.328 8.037 1.00 1.30 H new ATOM 0 HG2 PRO A 159 -15.072 -0.156 6.742 1.00 1.25 H new ATOM 0 HG3 PRO A 159 -15.094 0.876 8.159 1.00 1.25 H new ATOM 0 HD2 PRO A 159 -15.940 1.834 5.760 1.00 1.31 H new ATOM 0 HD3 PRO A 159 -15.084 2.880 6.876 1.00 1.31 H new ATOM 2534 N TYR A 160 -13.076 -0.451 4.271 1.00 0.99 N ATOM 2535 CA TYR A 160 -12.902 -1.616 3.421 1.00 1.18 C ATOM 2536 C TYR A 160 -12.984 -2.949 4.143 1.00 1.42 C ATOM 2537 O TYR A 160 -13.361 -3.888 3.464 1.00 1.52 O ATOM 2538 CB TYR A 160 -11.547 -1.634 2.714 1.00 1.69 C ATOM 2539 CG TYR A 160 -11.195 -0.547 1.720 1.00 1.96 C ATOM 2540 CD1 TYR A 160 -12.160 0.334 1.202 1.00 2.41 C ATOM 2541 CD2 TYR A 160 -9.878 -0.496 1.231 1.00 3.00 C ATOM 2542 CE1 TYR A 160 -11.792 1.307 0.261 1.00 2.88 C ATOM 2543 CE2 TYR A 160 -9.516 0.471 0.284 1.00 3.41 C ATOM 2544 CZ TYR A 160 -10.451 1.430 -0.135 1.00 3.04 C ATOM 2545 OH TYR A 160 -10.068 2.470 -0.927 1.00 3.82 O ATOM 0 H TYR A 160 -14.070 -0.264 4.401 1.00 0.99 H new ATOM 0 HA TYR A 160 -13.733 -1.514 2.723 1.00 1.18 H new ATOM 0 HB2 TYR A 160 -10.778 -1.627 3.487 1.00 1.69 H new ATOM 0 HB3 TYR A 160 -11.466 -2.588 2.193 1.00 1.69 H new ATOM 0 HD1 TYR A 160 -13.187 0.262 1.529 1.00 2.41 H new ATOM 0 HD2 TYR A 160 -9.144 -1.204 1.586 1.00 3.00 H new ATOM 0 HE1 TYR A 160 -12.541 1.962 -0.159 1.00 2.88 H new ATOM 0 HE2 TYR A 160 -8.516 0.478 -0.124 1.00 3.41 H new ATOM 0 HH TYR A 160 -9.310 2.934 -0.514 1.00 3.82 H new ATOM 2555 N ASP A 161 -12.814 -3.102 5.454 1.00 1.66 N ATOM 2556 CA ASP A 161 -12.952 -4.448 6.012 1.00 2.02 C ATOM 2557 C ASP A 161 -14.302 -5.053 5.643 1.00 1.74 C ATOM 2558 O ASP A 161 -14.388 -6.177 5.151 1.00 1.77 O ATOM 2559 CB ASP A 161 -12.837 -4.417 7.535 1.00 2.61 C ATOM 2560 CG ASP A 161 -11.410 -4.399 8.030 1.00 3.12 C ATOM 2561 OD1 ASP A 161 -10.637 -5.220 7.484 1.00 3.48 O ATOM 2562 OD2 ASP A 161 -11.128 -3.683 9.013 1.00 3.97 O ATOM 0 H ASP A 161 -12.593 -2.360 6.118 1.00 1.66 H new ATOM 0 HA ASP A 161 -12.150 -5.056 5.593 1.00 2.02 H new ATOM 0 HB2 ASP A 161 -13.356 -3.536 7.913 1.00 2.61 H new ATOM 0 HB3 ASP A 161 -13.346 -5.288 7.948 1.00 2.61 H new ATOM 2567 N ASP A 162 -15.335 -4.238 5.805 1.00 1.58 N ATOM 2568 CA ASP A 162 -16.709 -4.552 5.508 1.00 1.66 C ATOM 2569 C ASP A 162 -16.873 -4.641 3.991 1.00 1.33 C ATOM 2570 O ASP A 162 -17.250 -5.684 3.458 1.00 1.49 O ATOM 2571 CB ASP A 162 -17.628 -3.489 6.148 1.00 1.88 C ATOM 2572 CG ASP A 162 -17.304 -2.045 5.765 1.00 2.31 C ATOM 2573 OD1 ASP A 162 -16.149 -1.814 5.332 1.00 3.10 O ATOM 2574 OD2 ASP A 162 -18.209 -1.197 5.888 1.00 3.21 O ATOM 0 H ASP A 162 -15.221 -3.291 6.167 1.00 1.58 H new ATOM 0 HA ASP A 162 -16.995 -5.515 5.930 1.00 1.66 H new ATOM 0 HB2 ASP A 162 -18.659 -3.702 5.865 1.00 1.88 H new ATOM 0 HB3 ASP A 162 -17.569 -3.584 7.232 1.00 1.88 H new ATOM 2579 N ILE A 163 -16.562 -3.550 3.290 1.00 1.10 N ATOM 2580 CA ILE A 163 -16.797 -3.422 1.857 1.00 1.18 C ATOM 2581 C ILE A 163 -16.023 -4.509 1.110 1.00 1.10 C ATOM 2582 O ILE A 163 -16.606 -5.287 0.364 1.00 1.22 O ATOM 2583 CB ILE A 163 -16.434 -2.018 1.336 1.00 1.30 C ATOM 2584 CG1 ILE A 163 -17.086 -0.876 2.140 1.00 1.45 C ATOM 2585 CG2 ILE A 163 -16.816 -1.873 -0.144 1.00 1.64 C ATOM 2586 CD1 ILE A 163 -16.007 -0.013 2.799 1.00 1.40 C ATOM 0 H ILE A 163 -16.135 -2.723 3.708 1.00 1.10 H new ATOM 0 HA ILE A 163 -17.863 -3.555 1.672 1.00 1.18 H new ATOM 0 HB ILE A 163 -15.355 -1.928 1.460 1.00 1.30 H new ATOM 0 HG12 ILE A 163 -17.701 -0.263 1.482 1.00 1.45 H new ATOM 0 HG13 ILE A 163 -17.748 -1.289 2.901 1.00 1.45 H new ATOM 0 HG21 ILE A 163 -16.551 -0.875 -0.492 1.00 1.64 H new ATOM 0 HG22 ILE A 163 -16.279 -2.617 -0.733 1.00 1.64 H new ATOM 0 HG23 ILE A 163 -17.889 -2.025 -0.259 1.00 1.64 H new ATOM 0 HD11 ILE A 163 -16.479 0.791 3.364 1.00 1.40 H new ATOM 0 HD12 ILE A 163 -15.410 -0.628 3.472 1.00 1.40 H new ATOM 0 HD13 ILE A 163 -15.363 0.414 2.030 1.00 1.40 H new ATOM 2598 N ILE A 164 -14.702 -4.577 1.287 1.00 1.05 N ATOM 2599 CA ILE A 164 -13.880 -5.618 0.722 1.00 1.15 C ATOM 2600 C ILE A 164 -14.363 -6.996 1.183 1.00 1.09 C ATOM 2601 O ILE A 164 -14.459 -7.861 0.326 1.00 1.09 O ATOM 2602 CB ILE A 164 -12.384 -5.314 0.932 1.00 1.45 C ATOM 2603 CG1 ILE A 164 -11.887 -4.275 -0.088 1.00 1.75 C ATOM 2604 CG2 ILE A 164 -11.521 -6.575 0.804 1.00 1.70 C ATOM 2605 CD1 ILE A 164 -12.792 -3.067 -0.365 1.00 1.71 C ATOM 0 H ILE A 164 -14.178 -3.896 1.836 1.00 1.05 H new ATOM 0 HA ILE A 164 -13.991 -5.643 -0.362 1.00 1.15 H new ATOM 0 HB ILE A 164 -12.287 -4.920 1.943 1.00 1.45 H new ATOM 0 HG12 ILE A 164 -10.922 -3.901 0.255 1.00 1.75 H new ATOM 0 HG13 ILE A 164 -11.712 -4.788 -1.033 1.00 1.75 H new ATOM 0 HG21 ILE A 164 -10.474 -6.316 0.959 1.00 1.70 H new ATOM 0 HG22 ILE A 164 -11.829 -7.304 1.553 1.00 1.70 H new ATOM 0 HG23 ILE A 164 -11.646 -7.002 -0.191 1.00 1.70 H new ATOM 0 HD11 ILE A 164 -12.318 -2.419 -1.102 1.00 1.71 H new ATOM 0 HD12 ILE A 164 -13.752 -3.412 -0.749 1.00 1.71 H new ATOM 0 HD13 ILE A 164 -12.950 -2.511 0.559 1.00 1.71 H new ATOM 2617 N SER A 165 -14.708 -7.252 2.454 1.00 1.24 N ATOM 2618 CA SER A 165 -15.290 -8.558 2.803 1.00 1.49 C ATOM 2619 C SER A 165 -16.492 -8.876 1.899 1.00 1.45 C ATOM 2620 O SER A 165 -16.603 -9.971 1.346 1.00 1.55 O ATOM 2621 CB SER A 165 -15.705 -8.617 4.279 1.00 1.97 C ATOM 2622 OG SER A 165 -16.334 -9.846 4.590 1.00 2.72 O ATOM 0 H SER A 165 -14.600 -6.600 3.231 1.00 1.24 H new ATOM 0 HA SER A 165 -14.519 -9.312 2.642 1.00 1.49 H new ATOM 0 HB2 SER A 165 -14.827 -8.486 4.911 1.00 1.97 H new ATOM 0 HB3 SER A 165 -16.383 -7.793 4.501 1.00 1.97 H new ATOM 0 HG SER A 165 -15.654 -10.509 4.832 1.00 2.72 H new ATOM 2628 N ASP A 166 -17.398 -7.913 1.731 1.00 1.50 N ATOM 2629 CA ASP A 166 -18.596 -8.121 0.929 1.00 1.81 C ATOM 2630 C ASP A 166 -18.246 -8.380 -0.545 1.00 1.81 C ATOM 2631 O ASP A 166 -18.594 -9.415 -1.118 1.00 2.05 O ATOM 2632 CB ASP A 166 -19.525 -6.924 1.117 1.00 1.96 C ATOM 2633 CG ASP A 166 -20.703 -7.028 0.156 1.00 2.45 C ATOM 2634 OD1 ASP A 166 -21.417 -8.049 0.241 1.00 2.64 O ATOM 2635 OD2 ASP A 166 -20.828 -6.113 -0.687 1.00 3.50 O ATOM 0 H ASP A 166 -17.322 -6.982 2.141 1.00 1.50 H new ATOM 0 HA ASP A 166 -19.118 -9.017 1.266 1.00 1.81 H new ATOM 0 HB2 ASP A 166 -19.885 -6.889 2.145 1.00 1.96 H new ATOM 0 HB3 ASP A 166 -18.979 -5.997 0.939 1.00 1.96 H new ATOM 2640 N VAL A 167 -17.483 -7.471 -1.151 1.00 1.67 N ATOM 2641 CA VAL A 167 -16.978 -7.603 -2.512 1.00 1.88 C ATOM 2642 C VAL A 167 -16.236 -8.934 -2.688 1.00 1.68 C ATOM 2643 O VAL A 167 -16.326 -9.568 -3.736 1.00 2.03 O ATOM 2644 CB VAL A 167 -16.094 -6.389 -2.849 1.00 2.00 C ATOM 2645 CG1 VAL A 167 -15.351 -6.558 -4.180 1.00 2.46 C ATOM 2646 CG2 VAL A 167 -16.941 -5.110 -2.931 1.00 2.31 C ATOM 0 H VAL A 167 -17.194 -6.604 -0.697 1.00 1.67 H new ATOM 0 HA VAL A 167 -17.811 -7.617 -3.215 1.00 1.88 H new ATOM 0 HB VAL A 167 -15.361 -6.313 -2.046 1.00 2.00 H new ATOM 0 HG11 VAL A 167 -14.742 -5.675 -4.371 1.00 2.46 H new ATOM 0 HG12 VAL A 167 -14.709 -7.438 -4.129 1.00 2.46 H new ATOM 0 HG13 VAL A 167 -16.073 -6.682 -4.987 1.00 2.46 H new ATOM 0 HG21 VAL A 167 -16.298 -4.263 -3.170 1.00 2.31 H new ATOM 0 HG22 VAL A 167 -17.697 -5.223 -3.708 1.00 2.31 H new ATOM 0 HG23 VAL A 167 -17.430 -4.935 -1.973 1.00 2.31 H new ATOM 2656 N LYS A 168 -15.492 -9.378 -1.677 1.00 1.24 N ATOM 2657 CA LYS A 168 -14.803 -10.651 -1.695 1.00 1.18 C ATOM 2658 C LYS A 168 -15.797 -11.798 -1.719 1.00 1.41 C ATOM 2659 O LYS A 168 -15.617 -12.730 -2.500 1.00 1.52 O ATOM 2660 CB LYS A 168 -13.902 -10.768 -0.475 1.00 1.35 C ATOM 2661 CG LYS A 168 -12.673 -9.884 -0.637 1.00 1.97 C ATOM 2662 CD LYS A 168 -11.645 -10.555 -1.549 1.00 2.31 C ATOM 2663 CE LYS A 168 -10.260 -9.973 -1.299 1.00 3.62 C ATOM 2664 NZ LYS A 168 -9.883 -10.101 0.120 1.00 5.53 N ATOM 0 H LYS A 168 -15.354 -8.851 -0.815 1.00 1.24 H new ATOM 0 HA LYS A 168 -14.194 -10.704 -2.598 1.00 1.18 H new ATOM 0 HB2 LYS A 168 -14.452 -10.477 0.420 1.00 1.35 H new ATOM 0 HB3 LYS A 168 -13.596 -11.805 -0.339 1.00 1.35 H new ATOM 0 HG2 LYS A 168 -12.964 -8.920 -1.055 1.00 1.97 H new ATOM 0 HG3 LYS A 168 -12.228 -9.687 0.339 1.00 1.97 H new ATOM 0 HD2 LYS A 168 -11.634 -11.630 -1.368 1.00 2.31 H new ATOM 0 HD3 LYS A 168 -11.925 -10.411 -2.593 1.00 2.31 H new ATOM 0 HE2 LYS A 168 -9.528 -10.487 -1.922 1.00 3.62 H new ATOM 0 HE3 LYS A 168 -10.245 -8.923 -1.590 1.00 3.62 H new ATOM 0 HZ1 LYS A 168 -9.293 -9.291 0.397 1.00 5.53 H new ATOM 0 HZ2 LYS A 168 -10.741 -10.121 0.707 1.00 5.53 H new ATOM 0 HZ3 LYS A 168 -9.349 -10.982 0.259 1.00 5.53 H new ATOM 2678 N SER A 169 -16.827 -11.732 -0.875 1.00 1.70 N ATOM 2679 CA SER A 169 -17.912 -12.700 -0.892 1.00 2.28 C ATOM 2680 C SER A 169 -18.456 -12.814 -2.318 1.00 2.50 C ATOM 2681 O SER A 169 -18.486 -13.901 -2.893 1.00 2.70 O ATOM 2682 CB SER A 169 -18.994 -12.310 0.128 1.00 2.81 C ATOM 2683 OG SER A 169 -19.903 -13.377 0.315 1.00 3.26 O ATOM 0 H SER A 169 -16.928 -11.007 -0.165 1.00 1.70 H new ATOM 0 HA SER A 169 -17.548 -13.683 -0.594 1.00 2.28 H new ATOM 0 HB2 SER A 169 -18.529 -12.049 1.079 1.00 2.81 H new ATOM 0 HB3 SER A 169 -19.528 -11.426 -0.219 1.00 2.81 H new ATOM 0 HG SER A 169 -20.585 -13.115 0.968 1.00 3.26 H new ATOM 2689 N ALA A 170 -18.799 -11.672 -2.921 1.00 2.61 N ATOM 2690 CA ALA A 170 -19.222 -11.612 -4.315 1.00 3.10 C ATOM 2691 C ALA A 170 -18.166 -12.207 -5.260 1.00 2.93 C ATOM 2692 O ALA A 170 -18.517 -12.895 -6.214 1.00 3.39 O ATOM 2693 CB ALA A 170 -19.568 -10.170 -4.698 1.00 3.38 C ATOM 0 H ALA A 170 -18.790 -10.766 -2.453 1.00 2.61 H new ATOM 0 HA ALA A 170 -20.118 -12.224 -4.424 1.00 3.10 H new ATOM 0 HB1 ALA A 170 -19.883 -10.136 -5.741 1.00 3.38 H new ATOM 0 HB2 ALA A 170 -20.377 -9.809 -4.063 1.00 3.38 H new ATOM 0 HB3 ALA A 170 -18.691 -9.537 -4.563 1.00 3.38 H new ATOM 2699 N SER A 171 -16.881 -11.928 -5.010 1.00 2.41 N ATOM 2700 CA SER A 171 -15.767 -12.419 -5.809 1.00 2.46 C ATOM 2701 C SER A 171 -15.686 -13.947 -5.765 1.00 2.25 C ATOM 2702 O SER A 171 -16.024 -14.614 -6.740 1.00 2.52 O ATOM 2703 CB SER A 171 -14.458 -11.723 -5.407 1.00 2.35 C ATOM 2704 OG SER A 171 -13.415 -12.059 -6.301 1.00 3.13 O ATOM 0 H SER A 171 -16.587 -11.342 -4.229 1.00 2.41 H new ATOM 0 HA SER A 171 -15.941 -12.160 -6.853 1.00 2.46 H new ATOM 0 HB2 SER A 171 -14.603 -10.643 -5.400 1.00 2.35 H new ATOM 0 HB3 SER A 171 -14.182 -12.015 -4.394 1.00 2.35 H new ATOM 0 HG SER A 171 -12.591 -11.604 -6.028 1.00 3.13 H new ATOM 2710 N THR A 172 -15.222 -14.498 -4.642 1.00 1.96 N ATOM 2711 CA THR A 172 -15.127 -15.935 -4.394 1.00 1.86 C ATOM 2712 C THR A 172 -14.688 -16.163 -2.948 1.00 1.67 C ATOM 2713 O THR A 172 -13.854 -17.021 -2.659 1.00 1.73 O ATOM 2714 CB THR A 172 -14.218 -16.625 -5.427 1.00 2.39 C ATOM 2715 OG1 THR A 172 -14.049 -17.999 -5.139 1.00 2.26 O ATOM 2716 CG2 THR A 172 -12.837 -15.976 -5.555 1.00 3.60 C ATOM 0 H THR A 172 -14.892 -13.938 -3.856 1.00 1.96 H new ATOM 0 HA THR A 172 -16.105 -16.399 -4.521 1.00 1.86 H new ATOM 0 HB THR A 172 -14.736 -16.505 -6.378 1.00 2.39 H new ATOM 0 HG1 THR A 172 -13.844 -18.111 -4.187 1.00 2.26 H new ATOM 0 HG21 THR A 172 -12.250 -16.513 -6.300 1.00 3.60 H new ATOM 0 HG22 THR A 172 -12.951 -14.937 -5.863 1.00 3.60 H new ATOM 0 HG23 THR A 172 -12.326 -16.015 -4.593 1.00 3.60 H new