USER MOD reduce.3.24.130724 H: found=0, std=0, add=1370, rem=0, adj=46 USER MOD reduce.3.24.130724 removed 1371 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 134 MET CE :methyl -127:sc= -0.351 (180deg=-0.602) USER MOD Set 1.2: A 188 HIS : no HE2:sc= -0.0551 K(o=-0.41,f=-1.3) USER MOD Set 2.1: A 113 MET CE :methyl -168:sc= -0.0142 (180deg=-0.261) USER MOD Set 2.2: A 124 HIS : no HD1:sc= -0.158 X(o=-0.17,f=-0.05) USER MOD Set 3.1: A 109 THR OG1 : rot -140:sc= -0.446 USER MOD Set 3.2: A 176 HIS : no HE2:sc= -4.82! C(o=-5.3!,f=-11!) USER MOD Set 4.1: A 106 LYS NZ :NH3+ -147:sc= 2.23 (180deg=0.87) USER MOD Set 4.2: A 114 THR OG1 : rot 74:sc= 0.937 USER MOD Set 5.1: A 29 CYS SG : rot 180:sc= 0.114 USER MOD Set 5.2: A 81 TYR OH : rot 179:sc= 0.0367 USER MOD Set 6.1: A 5 SER OG : rot 90:sc= 0.123 USER MOD Set 6.2: A 75 ASN : amide:sc= -1.85! K(o=-1.7!,f=-3.1) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= 0.424 K(o=0.42,f=-5.3!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl -162:sc= -0.359 (180deg=-1.14) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 88:sc= -1.37! USER MOD Single : A 24 MET CE :methyl 179:sc=-0.000435 (180deg=-0.00205) USER MOD Single : A 26 TYR OH : rot -147:sc= 0.151 USER MOD Single : A 31 MET CE :methyl -177:sc= -1.62 (180deg=-1.69) USER MOD Single : A 45 ASN : amide:sc= -1.64! K(o=-1.6!,f=-0.82) USER MOD Single : A 52 SER OG : rot 180:sc= -0.997 USER MOD Single : A 57 LYS NZ :NH3+ 165:sc= -0.626 (180deg=-0.918) USER MOD Single : A 58 LYS NZ :NH3+ -173:sc= 1.26 (180deg=1.17) USER MOD Single : A 66 LYS NZ :NH3+ -152:sc= 1.14 (180deg=-1.67!) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl -160:sc= -0.124 (180deg=-0.681) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 MET CE :methyl 147:sc= -1.88 (180deg=-4.73!) USER MOD Single : A 83 LYS NZ :NH3+ -124:sc= -0.0509 (180deg=-0.773) USER MOD Single : A 84 LYS NZ :NH3+ 164:sc= -0.0225 (180deg=-0.226) USER MOD Single : A 85 GLN : amide:sc= 0.974 K(o=0.97,f=-1.5!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 MET CE :methyl 150:sc= -3.69! (180deg=-5.05!) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ -104:sc= -1.96! (180deg=-4.58!) USER MOD Single : A 99 THR OG1 : rot 180:sc= -1.27 USER MOD Single : A 101 MET CE :methyl 156:sc= -3.18! (180deg=-4.93!) USER MOD Single : A 105 SER OG : rot 130:sc= -1.55! USER MOD Single : A 107 THR OG1 : rot 180:sc= 0.00732 USER MOD Single : A 111 MET CE :methyl 163:sc= -5.98! (180deg=-8.94!) USER MOD Single : A 116 CYS SG : rot -20:sc= -1.67! USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 ASN : amide:sc= -1.12! C(o=-1.1!,f=-1.9!) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 SER OG : rot -164:sc= -1.61! USER MOD Single : A 137 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0566) USER MOD Single : A 138 LYS NZ :NH3+ -148:sc= 0.493 (180deg=-0.061) USER MOD Single : A 172 ASN : amide:sc= -1.85! C(o=-1.9!,f=-2.4!) USER MOD Single : A 179 THR OG1 : rot -106:sc= 0.151 USER MOD Single : A 183 GLN : amide:sc= -0.676! C(o=-0.68!,f=-1.9!) USER MOD Single : A 190 THR OG1 : rot 180:sc= 0 USER MOD Single : A 196 LYS NZ :NH3+ 165:sc= -0.0703 (180deg=-0.357) USER MOD ----------------------------------------------------------------- ATOM 106 N VAL A 2 -29.559 -0.281 5.992 1.00 1.00 N ATOM 107 CA VAL A 2 -28.401 0.072 6.770 1.00 0.98 C ATOM 108 C VAL A 2 -27.175 -0.397 6.013 1.00 0.79 C ATOM 109 O VAL A 2 -26.638 -1.474 6.257 1.00 0.92 O ATOM 110 CB VAL A 2 -28.431 -0.533 8.195 1.00 1.21 C ATOM 111 CG1 VAL A 2 -29.393 0.241 9.084 1.00 1.56 C ATOM 112 CG2 VAL A 2 -28.822 -2.005 8.156 1.00 1.32 C ATOM 0 HA VAL A 2 -28.384 1.153 6.907 1.00 0.98 H new ATOM 0 HB VAL A 2 -27.427 -0.456 8.612 1.00 1.21 H new ATOM 0 HG11 VAL A 2 -29.401 -0.199 10.081 1.00 1.56 H new ATOM 0 HG12 VAL A 2 -29.072 1.281 9.148 1.00 1.56 H new ATOM 0 HG13 VAL A 2 -30.396 0.196 8.660 1.00 1.56 H new ATOM 0 HG21 VAL A 2 -28.835 -2.405 9.170 1.00 1.32 H new ATOM 0 HG22 VAL A 2 -29.813 -2.107 7.713 1.00 1.32 H new ATOM 0 HG23 VAL A 2 -28.098 -2.558 7.557 1.00 1.32 H new ATOM 122 N ALA A 3 -26.805 0.381 5.019 1.00 0.66 N ATOM 123 CA ALA A 3 -25.674 0.062 4.181 1.00 0.55 C ATOM 124 C ALA A 3 -25.061 1.327 3.633 1.00 0.60 C ATOM 125 O ALA A 3 -25.590 1.928 2.695 1.00 1.10 O ATOM 126 CB ALA A 3 -26.078 -0.850 3.039 1.00 0.63 C ATOM 0 H ALA A 3 -27.279 1.249 4.771 1.00 0.66 H new ATOM 0 HA ALA A 3 -24.939 -0.461 4.793 1.00 0.55 H new ATOM 0 HB1 ALA A 3 -25.205 -1.073 2.425 1.00 0.63 H new ATOM 0 HB2 ALA A 3 -26.485 -1.778 3.441 1.00 0.63 H new ATOM 0 HB3 ALA A 3 -26.834 -0.356 2.429 1.00 0.63 H new ATOM 132 N LEU A 4 -24.000 1.768 4.281 1.00 0.45 N ATOM 133 CA LEU A 4 -23.177 2.858 3.793 1.00 0.41 C ATOM 134 C LEU A 4 -22.990 2.801 2.283 1.00 0.39 C ATOM 135 O LEU A 4 -22.680 1.755 1.713 1.00 0.38 O ATOM 136 CB LEU A 4 -21.814 2.804 4.480 1.00 0.41 C ATOM 137 CG LEU A 4 -21.849 2.763 6.009 1.00 0.56 C ATOM 138 CD1 LEU A 4 -20.439 2.679 6.567 1.00 1.16 C ATOM 139 CD2 LEU A 4 -22.575 3.976 6.571 1.00 1.46 C ATOM 0 H LEU A 4 -23.682 1.377 5.168 1.00 0.45 H new ATOM 0 HA LEU A 4 -23.685 3.794 4.026 1.00 0.41 H new ATOM 0 HB2 LEU A 4 -21.281 1.923 4.122 1.00 0.41 H new ATOM 0 HB3 LEU A 4 -21.236 3.674 4.170 1.00 0.41 H new ATOM 0 HG LEU A 4 -22.398 1.872 6.313 1.00 0.56 H new ATOM 0 HD11 LEU A 4 -20.480 2.651 7.656 1.00 1.16 H new ATOM 0 HD12 LEU A 4 -19.955 1.775 6.198 1.00 1.16 H new ATOM 0 HD13 LEU A 4 -19.869 3.551 6.248 1.00 1.16 H new ATOM 0 HD21 LEU A 4 -22.585 3.922 7.660 1.00 1.46 H new ATOM 0 HD22 LEU A 4 -22.061 4.885 6.258 1.00 1.46 H new ATOM 0 HD23 LEU A 4 -23.599 3.992 6.199 1.00 1.46 H new ATOM 151 N SER A 5 -23.159 3.946 1.659 1.00 0.41 N ATOM 152 CA SER A 5 -23.029 4.058 0.224 1.00 0.42 C ATOM 153 C SER A 5 -21.692 4.698 -0.091 1.00 0.37 C ATOM 154 O SER A 5 -21.498 5.900 0.110 1.00 0.42 O ATOM 155 CB SER A 5 -24.190 4.865 -0.352 1.00 0.51 C ATOM 156 OG SER A 5 -25.426 4.251 -0.025 1.00 1.28 O ATOM 0 H SER A 5 -23.389 4.821 2.130 1.00 0.41 H new ATOM 0 HA SER A 5 -23.065 3.071 -0.237 1.00 0.42 H new ATOM 0 HB2 SER A 5 -24.166 5.881 0.041 1.00 0.51 H new ATOM 0 HB3 SER A 5 -24.088 4.939 -1.435 1.00 0.51 H new ATOM 0 HG SER A 5 -25.749 4.601 0.832 1.00 1.28 H new ATOM 162 N LEU A 6 -20.760 3.880 -0.543 1.00 0.31 N ATOM 163 CA LEU A 6 -19.385 4.304 -0.692 1.00 0.28 C ATOM 164 C LEU A 6 -19.004 4.373 -2.160 1.00 0.28 C ATOM 165 O LEU A 6 -19.440 3.548 -2.968 1.00 0.31 O ATOM 166 CB LEU A 6 -18.454 3.326 0.034 1.00 0.26 C ATOM 167 CG LEU A 6 -18.897 2.914 1.443 1.00 0.33 C ATOM 168 CD1 LEU A 6 -17.895 1.952 2.061 1.00 0.61 C ATOM 169 CD2 LEU A 6 -19.080 4.133 2.330 1.00 0.62 C ATOM 0 H LEU A 6 -20.934 2.912 -0.814 1.00 0.31 H new ATOM 0 HA LEU A 6 -19.282 5.297 -0.254 1.00 0.28 H new ATOM 0 HB2 LEU A 6 -18.355 2.427 -0.574 1.00 0.26 H new ATOM 0 HB3 LEU A 6 -17.464 3.776 0.101 1.00 0.26 H new ATOM 0 HG LEU A 6 -19.857 2.405 1.360 1.00 0.33 H new ATOM 0 HD11 LEU A 6 -18.228 1.672 3.060 1.00 0.61 H new ATOM 0 HD12 LEU A 6 -17.818 1.059 1.441 1.00 0.61 H new ATOM 0 HD13 LEU A 6 -16.920 2.434 2.125 1.00 0.61 H new ATOM 0 HD21 LEU A 6 -19.394 3.816 3.324 1.00 0.62 H new ATOM 0 HD22 LEU A 6 -18.137 4.675 2.403 1.00 0.62 H new ATOM 0 HD23 LEU A 6 -19.840 4.785 1.900 1.00 0.62 H new ATOM 181 N LYS A 7 -18.209 5.364 -2.507 1.00 0.29 N ATOM 182 CA LYS A 7 -17.659 5.450 -3.845 1.00 0.31 C ATOM 183 C LYS A 7 -16.339 4.708 -3.908 1.00 0.29 C ATOM 184 O LYS A 7 -15.322 5.196 -3.424 1.00 0.31 O ATOM 185 CB LYS A 7 -17.460 6.902 -4.278 1.00 0.39 C ATOM 186 CG LYS A 7 -18.645 7.482 -5.024 1.00 0.52 C ATOM 187 CD LYS A 7 -18.295 8.824 -5.640 1.00 0.63 C ATOM 188 CE LYS A 7 -19.317 9.239 -6.685 1.00 0.94 C ATOM 189 NZ LYS A 7 -20.651 9.532 -6.096 1.00 1.72 N ATOM 0 H LYS A 7 -17.929 6.120 -1.883 1.00 0.29 H new ATOM 0 HA LYS A 7 -18.371 4.990 -4.530 1.00 0.31 H new ATOM 0 HB2 LYS A 7 -17.263 7.511 -3.396 1.00 0.39 H new ATOM 0 HB3 LYS A 7 -16.576 6.965 -4.913 1.00 0.39 H new ATOM 0 HG2 LYS A 7 -18.962 6.791 -5.805 1.00 0.52 H new ATOM 0 HG3 LYS A 7 -19.487 7.599 -4.342 1.00 0.52 H new ATOM 0 HD2 LYS A 7 -18.243 9.582 -4.859 1.00 0.63 H new ATOM 0 HD3 LYS A 7 -17.307 8.769 -6.097 1.00 0.63 H new ATOM 0 HE2 LYS A 7 -18.955 10.122 -7.212 1.00 0.94 H new ATOM 0 HE3 LYS A 7 -19.417 8.445 -7.425 1.00 0.94 H new ATOM 0 HZ1 LYS A 7 -21.310 9.810 -6.851 1.00 1.72 H new ATOM 0 HZ2 LYS A 7 -21.012 8.683 -5.616 1.00 1.72 H new ATOM 0 HZ3 LYS A 7 -20.564 10.308 -5.409 1.00 1.72 H new ATOM 203 N ILE A 8 -16.357 3.528 -4.492 1.00 0.28 N ATOM 204 CA ILE A 8 -15.157 2.726 -4.605 1.00 0.28 C ATOM 205 C ILE A 8 -14.427 3.081 -5.889 1.00 0.31 C ATOM 206 O ILE A 8 -14.931 2.856 -6.986 1.00 0.34 O ATOM 207 CB ILE A 8 -15.460 1.203 -4.566 1.00 0.33 C ATOM 208 CG1 ILE A 8 -15.646 0.715 -3.123 1.00 0.58 C ATOM 209 CG2 ILE A 8 -14.348 0.409 -5.240 1.00 0.32 C ATOM 210 CD1 ILE A 8 -16.848 1.297 -2.414 1.00 0.51 C ATOM 0 H ILE A 8 -17.191 3.102 -4.896 1.00 0.28 H new ATOM 0 HA ILE A 8 -14.527 2.950 -3.744 1.00 0.28 H new ATOM 0 HB ILE A 8 -16.389 1.040 -5.112 1.00 0.33 H new ATOM 0 HG12 ILE A 8 -15.734 -0.371 -3.129 1.00 0.58 H new ATOM 0 HG13 ILE A 8 -14.750 0.959 -2.552 1.00 0.58 H new ATOM 0 HG21 ILE A 8 -14.584 -0.654 -5.199 1.00 0.32 H new ATOM 0 HG22 ILE A 8 -14.257 0.721 -6.280 1.00 0.32 H new ATOM 0 HG23 ILE A 8 -13.406 0.591 -4.723 1.00 0.32 H new ATOM 0 HD11 ILE A 8 -16.902 0.898 -1.401 1.00 0.51 H new ATOM 0 HD12 ILE A 8 -16.755 2.382 -2.372 1.00 0.51 H new ATOM 0 HD13 ILE A 8 -17.755 1.031 -2.957 1.00 0.51 H new ATOM 222 N SER A 9 -13.255 3.663 -5.750 1.00 0.33 N ATOM 223 CA SER A 9 -12.461 4.011 -6.907 1.00 0.39 C ATOM 224 C SER A 9 -11.309 3.025 -7.042 1.00 0.37 C ATOM 225 O SER A 9 -10.654 2.686 -6.061 1.00 0.45 O ATOM 226 CB SER A 9 -11.957 5.452 -6.792 1.00 0.46 C ATOM 227 OG SER A 9 -13.030 6.341 -6.523 1.00 1.48 O ATOM 0 H SER A 9 -12.834 3.904 -4.853 1.00 0.33 H new ATOM 0 HA SER A 9 -13.074 3.951 -7.806 1.00 0.39 H new ATOM 0 HB2 SER A 9 -11.214 5.520 -5.997 1.00 0.46 H new ATOM 0 HB3 SER A 9 -11.461 5.743 -7.718 1.00 0.46 H new ATOM 0 HG SER A 9 -12.687 7.256 -6.452 1.00 1.48 H new ATOM 233 N ILE A 10 -11.099 2.538 -8.249 1.00 0.40 N ATOM 234 CA ILE A 10 -10.076 1.543 -8.510 1.00 0.42 C ATOM 235 C ILE A 10 -9.116 2.062 -9.577 1.00 0.50 C ATOM 236 O ILE A 10 -9.193 1.683 -10.749 1.00 0.53 O ATOM 237 CB ILE A 10 -10.700 0.195 -8.957 1.00 0.40 C ATOM 238 CG1 ILE A 10 -11.772 -0.250 -7.950 1.00 0.38 C ATOM 239 CG2 ILE A 10 -9.624 -0.877 -9.097 1.00 0.45 C ATOM 240 CD1 ILE A 10 -12.538 -1.489 -8.365 1.00 0.43 C ATOM 0 H ILE A 10 -11.630 2.819 -9.074 1.00 0.40 H new ATOM 0 HA ILE A 10 -9.528 1.363 -7.585 1.00 0.42 H new ATOM 0 HB ILE A 10 -11.169 0.336 -9.931 1.00 0.40 H new ATOM 0 HG12 ILE A 10 -11.295 -0.437 -6.988 1.00 0.38 H new ATOM 0 HG13 ILE A 10 -12.478 0.567 -7.803 1.00 0.38 H new ATOM 0 HG21 ILE A 10 -10.083 -1.814 -9.411 1.00 0.45 H new ATOM 0 HG22 ILE A 10 -8.893 -0.563 -9.842 1.00 0.45 H new ATOM 0 HG23 ILE A 10 -9.126 -1.020 -8.138 1.00 0.45 H new ATOM 0 HD11 ILE A 10 -13.274 -1.735 -7.600 1.00 0.43 H new ATOM 0 HD12 ILE A 10 -13.046 -1.303 -9.311 1.00 0.43 H new ATOM 0 HD13 ILE A 10 -11.845 -2.322 -8.483 1.00 0.43 H new ATOM 252 N GLY A 11 -8.248 2.978 -9.170 1.00 0.59 N ATOM 253 CA GLY A 11 -7.282 3.557 -10.083 1.00 0.68 C ATOM 254 C GLY A 11 -7.903 4.543 -11.056 1.00 0.75 C ATOM 255 O GLY A 11 -7.952 5.743 -10.793 1.00 0.96 O ATOM 0 H GLY A 11 -8.196 3.333 -8.215 1.00 0.59 H new ATOM 0 HA2 GLY A 11 -6.505 4.062 -9.509 1.00 0.68 H new ATOM 0 HA3 GLY A 11 -6.796 2.758 -10.644 1.00 0.68 H new ATOM 259 N ASN A 12 -8.397 4.026 -12.172 1.00 0.75 N ATOM 260 CA ASN A 12 -8.916 4.858 -13.256 1.00 0.90 C ATOM 261 C ASN A 12 -10.437 4.774 -13.346 1.00 0.84 C ATOM 262 O ASN A 12 -11.052 5.388 -14.220 1.00 1.09 O ATOM 263 CB ASN A 12 -8.307 4.421 -14.593 1.00 1.09 C ATOM 264 CG ASN A 12 -8.660 2.986 -14.956 1.00 1.77 C ATOM 265 OD1 ASN A 12 -8.820 2.129 -14.083 1.00 2.62 O ATOM 266 ND2 ASN A 12 -8.796 2.712 -16.242 1.00 2.17 N ATOM 0 H ASN A 12 -8.451 3.024 -12.354 1.00 0.75 H new ATOM 0 HA ASN A 12 -8.639 5.890 -13.041 1.00 0.90 H new ATOM 0 HB2 ASN A 12 -8.656 5.088 -15.382 1.00 1.09 H new ATOM 0 HB3 ASN A 12 -7.223 4.523 -14.545 1.00 1.09 H new ATOM 0 HD21 ASN A 12 -9.041 1.767 -16.539 1.00 2.17 H new ATOM 0 HD22 ASN A 12 -8.656 3.445 -16.937 1.00 2.17 H new ATOM 273 N VAL A 13 -11.042 4.009 -12.454 1.00 0.65 N ATOM 274 CA VAL A 13 -12.483 3.807 -12.474 1.00 0.61 C ATOM 275 C VAL A 13 -13.068 4.022 -11.078 1.00 0.53 C ATOM 276 O VAL A 13 -12.353 3.913 -10.087 1.00 0.50 O ATOM 277 CB VAL A 13 -12.824 2.383 -12.991 1.00 0.61 C ATOM 278 CG1 VAL A 13 -12.321 1.314 -12.033 1.00 0.55 C ATOM 279 CG2 VAL A 13 -14.316 2.223 -13.239 1.00 0.65 C ATOM 0 H VAL A 13 -10.557 3.516 -11.704 1.00 0.65 H new ATOM 0 HA VAL A 13 -12.926 4.536 -13.153 1.00 0.61 H new ATOM 0 HB VAL A 13 -12.311 2.253 -13.944 1.00 0.61 H new ATOM 0 HG11 VAL A 13 -12.575 0.328 -12.422 1.00 0.55 H new ATOM 0 HG12 VAL A 13 -11.239 1.397 -11.931 1.00 0.55 H new ATOM 0 HG13 VAL A 13 -12.788 1.450 -11.058 1.00 0.55 H new ATOM 0 HG21 VAL A 13 -14.519 1.215 -13.600 1.00 0.65 H new ATOM 0 HG22 VAL A 13 -14.860 2.392 -12.309 1.00 0.65 H new ATOM 0 HG23 VAL A 13 -14.641 2.948 -13.986 1.00 0.65 H new ATOM 289 N VAL A 14 -14.351 4.350 -11.003 1.00 0.51 N ATOM 290 CA VAL A 14 -15.025 4.514 -9.720 1.00 0.46 C ATOM 291 C VAL A 14 -16.464 4.008 -9.797 1.00 0.41 C ATOM 292 O VAL A 14 -17.232 4.388 -10.683 1.00 0.45 O ATOM 293 CB VAL A 14 -14.982 5.982 -9.216 1.00 0.53 C ATOM 294 CG1 VAL A 14 -15.355 6.959 -10.315 1.00 0.62 C ATOM 295 CG2 VAL A 14 -15.888 6.177 -8.002 1.00 0.50 C ATOM 0 H VAL A 14 -14.947 4.508 -11.816 1.00 0.51 H new ATOM 0 HA VAL A 14 -14.481 3.911 -8.992 1.00 0.46 H new ATOM 0 HB VAL A 14 -13.955 6.188 -8.915 1.00 0.53 H new ATOM 0 HG11 VAL A 14 -15.314 7.977 -9.926 1.00 0.62 H new ATOM 0 HG12 VAL A 14 -14.654 6.859 -11.144 1.00 0.62 H new ATOM 0 HG13 VAL A 14 -16.365 6.745 -10.665 1.00 0.62 H new ATOM 0 HG21 VAL A 14 -15.836 7.215 -7.672 1.00 0.50 H new ATOM 0 HG22 VAL A 14 -16.915 5.933 -8.272 1.00 0.50 H new ATOM 0 HG23 VAL A 14 -15.560 5.523 -7.194 1.00 0.50 H new ATOM 305 N LYS A 15 -16.806 3.130 -8.869 1.00 0.39 N ATOM 306 CA LYS A 15 -18.119 2.509 -8.818 1.00 0.41 C ATOM 307 C LYS A 15 -18.753 2.745 -7.454 1.00 0.35 C ATOM 308 O LYS A 15 -18.058 2.838 -6.446 1.00 0.31 O ATOM 309 CB LYS A 15 -18.027 1.007 -9.108 1.00 0.50 C ATOM 310 CG LYS A 15 -17.635 0.681 -10.542 1.00 0.67 C ATOM 311 CD LYS A 15 -18.603 1.311 -11.531 1.00 0.80 C ATOM 312 CE LYS A 15 -18.255 0.965 -12.969 1.00 1.02 C ATOM 313 NZ LYS A 15 -19.124 1.697 -13.928 1.00 1.28 N ATOM 0 H LYS A 15 -16.177 2.826 -8.126 1.00 0.39 H new ATOM 0 HA LYS A 15 -18.745 2.964 -9.586 1.00 0.41 H new ATOM 0 HB2 LYS A 15 -17.299 0.560 -8.432 1.00 0.50 H new ATOM 0 HB3 LYS A 15 -18.990 0.545 -8.890 1.00 0.50 H new ATOM 0 HG2 LYS A 15 -16.625 1.042 -10.737 1.00 0.67 H new ATOM 0 HG3 LYS A 15 -17.620 -0.400 -10.681 1.00 0.67 H new ATOM 0 HD2 LYS A 15 -19.616 0.973 -11.312 1.00 0.80 H new ATOM 0 HD3 LYS A 15 -18.594 2.394 -11.407 1.00 0.80 H new ATOM 0 HE2 LYS A 15 -17.211 1.210 -13.161 1.00 1.02 H new ATOM 0 HE3 LYS A 15 -18.364 -0.109 -13.123 1.00 1.02 H new ATOM 0 HZ1 LYS A 15 -18.862 1.439 -14.901 1.00 1.28 H new ATOM 0 HZ2 LYS A 15 -20.118 1.443 -13.759 1.00 1.28 H new ATOM 0 HZ3 LYS A 15 -19.001 2.721 -13.796 1.00 1.28 H new ATOM 327 N THR A 16 -20.066 2.853 -7.427 1.00 0.38 N ATOM 328 CA THR A 16 -20.775 3.145 -6.195 1.00 0.37 C ATOM 329 C THR A 16 -21.320 1.855 -5.592 1.00 0.35 C ATOM 330 O THR A 16 -22.162 1.182 -6.191 1.00 0.39 O ATOM 331 CB THR A 16 -21.928 4.134 -6.449 1.00 0.45 C ATOM 332 OG1 THR A 16 -21.433 5.272 -7.170 1.00 0.50 O ATOM 333 CG2 THR A 16 -22.554 4.590 -5.139 1.00 0.45 C ATOM 0 H THR A 16 -20.666 2.743 -8.245 1.00 0.38 H new ATOM 0 HA THR A 16 -20.076 3.603 -5.495 1.00 0.37 H new ATOM 0 HB THR A 16 -22.694 3.628 -7.037 1.00 0.45 H new ATOM 0 HG1 THR A 16 -22.167 5.900 -7.333 1.00 0.50 H new ATOM 0 HG21 THR A 16 -23.365 5.288 -5.347 1.00 0.45 H new ATOM 0 HG22 THR A 16 -22.947 3.726 -4.603 1.00 0.45 H new ATOM 0 HG23 THR A 16 -21.799 5.084 -4.527 1.00 0.45 H new ATOM 341 N MET A 17 -20.832 1.511 -4.409 1.00 0.31 N ATOM 342 CA MET A 17 -21.172 0.246 -3.778 1.00 0.32 C ATOM 343 C MET A 17 -21.612 0.474 -2.345 1.00 0.32 C ATOM 344 O MET A 17 -21.159 1.410 -1.689 1.00 0.31 O ATOM 345 CB MET A 17 -19.979 -0.704 -3.815 1.00 0.34 C ATOM 346 CG MET A 17 -20.247 -1.969 -4.608 1.00 0.44 C ATOM 347 SD MET A 17 -21.386 -3.098 -3.780 1.00 1.04 S ATOM 348 CE MET A 17 -20.402 -3.622 -2.378 1.00 0.40 C ATOM 0 H MET A 17 -20.196 2.094 -3.865 1.00 0.31 H new ATOM 0 HA MET A 17 -21.996 -0.205 -4.331 1.00 0.32 H new ATOM 0 HB2 MET A 17 -19.123 -0.186 -4.248 1.00 0.34 H new ATOM 0 HB3 MET A 17 -19.706 -0.973 -2.795 1.00 0.34 H new ATOM 0 HG2 MET A 17 -20.656 -1.700 -5.582 1.00 0.44 H new ATOM 0 HG3 MET A 17 -19.303 -2.483 -4.789 1.00 0.44 H new ATOM 0 HE1 MET A 17 -20.823 -4.536 -1.960 1.00 0.40 H new ATOM 0 HE2 MET A 17 -19.378 -3.809 -2.702 1.00 0.40 H new ATOM 0 HE3 MET A 17 -20.406 -2.840 -1.618 1.00 0.40 H new ATOM 358 N GLN A 18 -22.499 -0.373 -1.868 1.00 0.36 N ATOM 359 CA GLN A 18 -22.992 -0.263 -0.511 1.00 0.37 C ATOM 360 C GLN A 18 -22.511 -1.421 0.335 1.00 0.35 C ATOM 361 O GLN A 18 -22.516 -2.574 -0.103 1.00 0.38 O ATOM 362 CB GLN A 18 -24.512 -0.192 -0.509 1.00 0.44 C ATOM 363 CG GLN A 18 -25.020 1.154 -0.974 1.00 0.49 C ATOM 364 CD GLN A 18 -26.412 1.087 -1.562 1.00 0.59 C ATOM 365 OE1 GLN A 18 -27.242 0.277 -1.150 1.00 0.92 O ATOM 366 NE2 GLN A 18 -26.667 1.931 -2.547 1.00 0.60 N ATOM 0 H GLN A 18 -22.895 -1.147 -2.401 1.00 0.36 H new ATOM 0 HA GLN A 18 -22.599 0.656 -0.076 1.00 0.37 H new ATOM 0 HB2 GLN A 18 -24.912 -0.973 -1.156 1.00 0.44 H new ATOM 0 HB3 GLN A 18 -24.882 -0.391 0.497 1.00 0.44 H new ATOM 0 HG2 GLN A 18 -25.019 1.847 -0.133 1.00 0.49 H new ATOM 0 HG3 GLN A 18 -24.335 1.557 -1.720 1.00 0.49 H new ATOM 0 HE21 GLN A 18 -25.949 2.586 -2.856 1.00 0.60 H new ATOM 0 HE22 GLN A 18 -27.582 1.928 -2.998 1.00 0.60 H new ATOM 375 N PHE A 19 -22.097 -1.109 1.545 1.00 0.34 N ATOM 376 CA PHE A 19 -21.603 -2.098 2.474 1.00 0.33 C ATOM 377 C PHE A 19 -22.335 -1.908 3.784 1.00 0.37 C ATOM 378 O PHE A 19 -22.804 -0.808 4.068 1.00 0.40 O ATOM 379 CB PHE A 19 -20.100 -1.921 2.714 1.00 0.29 C ATOM 380 CG PHE A 19 -19.238 -2.145 1.506 1.00 0.27 C ATOM 381 CD1 PHE A 19 -18.980 -1.108 0.631 1.00 0.30 C ATOM 382 CD2 PHE A 19 -18.702 -3.393 1.238 1.00 0.33 C ATOM 383 CE1 PHE A 19 -18.200 -1.309 -0.492 1.00 0.31 C ATOM 384 CE2 PHE A 19 -17.920 -3.601 0.119 1.00 0.36 C ATOM 385 CZ PHE A 19 -17.616 -2.563 -0.710 1.00 0.31 C ATOM 0 H PHE A 19 -22.094 -0.157 1.912 1.00 0.34 H new ATOM 0 HA PHE A 19 -21.770 -3.095 2.066 1.00 0.33 H new ATOM 0 HB2 PHE A 19 -19.922 -0.912 3.087 1.00 0.29 H new ATOM 0 HB3 PHE A 19 -19.788 -2.611 3.498 1.00 0.29 H new ATOM 0 HD1 PHE A 19 -19.392 -0.129 0.827 1.00 0.30 H new ATOM 0 HD2 PHE A 19 -18.898 -4.214 1.912 1.00 0.33 H new ATOM 0 HE1 PHE A 19 -18.042 -0.505 -1.196 1.00 0.31 H new ATOM 0 HE2 PHE A 19 -17.548 -4.591 -0.100 1.00 0.36 H new ATOM 0 HZ PHE A 19 -16.929 -2.707 -1.530 1.00 0.31 H new ATOM 395 N GLU A 20 -22.441 -2.956 4.573 1.00 0.39 N ATOM 396 CA GLU A 20 -23.022 -2.831 5.896 1.00 0.43 C ATOM 397 C GLU A 20 -22.182 -1.890 6.747 1.00 0.44 C ATOM 398 O GLU A 20 -20.980 -1.744 6.527 1.00 0.47 O ATOM 399 CB GLU A 20 -23.114 -4.185 6.595 1.00 0.50 C ATOM 400 CG GLU A 20 -24.105 -5.143 5.968 1.00 0.61 C ATOM 401 CD GLU A 20 -24.251 -6.410 6.775 1.00 0.90 C ATOM 402 OE1 GLU A 20 -23.344 -7.263 6.712 1.00 1.06 O ATOM 403 OE2 GLU A 20 -25.255 -6.546 7.498 1.00 1.42 O ATOM 0 H GLU A 20 -22.136 -3.897 4.326 1.00 0.39 H new ATOM 0 HA GLU A 20 -24.029 -2.431 5.778 1.00 0.43 H new ATOM 0 HB2 GLU A 20 -22.128 -4.649 6.595 1.00 0.50 H new ATOM 0 HB3 GLU A 20 -23.390 -4.025 7.637 1.00 0.50 H new ATOM 0 HG2 GLU A 20 -25.076 -4.655 5.880 1.00 0.61 H new ATOM 0 HG3 GLU A 20 -23.780 -5.392 4.958 1.00 0.61 H new ATOM 410 N PRO A 21 -22.816 -1.229 7.717 1.00 0.50 N ATOM 411 CA PRO A 21 -22.125 -0.403 8.698 1.00 0.53 C ATOM 412 C PRO A 21 -20.910 -1.129 9.277 1.00 0.53 C ATOM 413 O PRO A 21 -19.856 -0.533 9.490 1.00 0.65 O ATOM 414 CB PRO A 21 -23.192 -0.136 9.778 1.00 0.57 C ATOM 415 CG PRO A 21 -24.439 -0.853 9.341 1.00 0.61 C ATOM 416 CD PRO A 21 -24.263 -1.210 7.900 1.00 0.62 C ATOM 0 HA PRO A 21 -21.731 0.518 8.268 1.00 0.53 H new ATOM 0 HB2 PRO A 21 -22.858 -0.499 10.750 1.00 0.57 H new ATOM 0 HB3 PRO A 21 -23.377 0.933 9.883 1.00 0.57 H new ATOM 0 HG2 PRO A 21 -24.599 -1.748 9.942 1.00 0.61 H new ATOM 0 HG3 PRO A 21 -25.315 -0.218 9.476 1.00 0.61 H new ATOM 0 HD2 PRO A 21 -24.707 -2.179 7.671 1.00 0.62 H new ATOM 0 HD3 PRO A 21 -24.739 -0.479 7.246 1.00 0.62 H new ATOM 424 N SER A 22 -21.048 -2.427 9.494 1.00 0.50 N ATOM 425 CA SER A 22 -19.930 -3.234 9.937 1.00 0.61 C ATOM 426 C SER A 22 -19.089 -3.684 8.738 1.00 0.84 C ATOM 427 O SER A 22 -17.991 -3.162 8.512 1.00 1.64 O ATOM 428 CB SER A 22 -20.439 -4.450 10.711 1.00 0.68 C ATOM 429 OG SER A 22 -21.477 -4.089 11.609 1.00 1.32 O ATOM 0 H SER A 22 -21.921 -2.940 9.370 1.00 0.50 H new ATOM 0 HA SER A 22 -19.302 -2.633 10.595 1.00 0.61 H new ATOM 0 HB2 SER A 22 -20.804 -5.202 10.012 1.00 0.68 H new ATOM 0 HB3 SER A 22 -19.616 -4.902 11.265 1.00 0.68 H new ATOM 0 HG SER A 22 -21.785 -4.885 12.090 1.00 1.32 H new ATOM 435 N THR A 23 -19.666 -4.595 7.942 1.00 0.41 N ATOM 436 CA THR A 23 -18.982 -5.307 6.861 1.00 0.49 C ATOM 437 C THR A 23 -17.654 -5.933 7.284 1.00 0.63 C ATOM 438 O THR A 23 -17.561 -7.153 7.402 1.00 1.47 O ATOM 439 CB THR A 23 -18.767 -4.415 5.635 1.00 0.51 C ATOM 440 OG1 THR A 23 -20.029 -4.038 5.103 1.00 0.68 O ATOM 441 CG2 THR A 23 -17.988 -5.149 4.569 1.00 0.50 C ATOM 0 H THR A 23 -20.646 -4.862 8.037 1.00 0.41 H new ATOM 0 HA THR A 23 -19.654 -6.123 6.595 1.00 0.49 H new ATOM 0 HB THR A 23 -18.204 -3.534 5.942 1.00 0.51 H new ATOM 0 HG1 THR A 23 -20.344 -3.226 5.552 1.00 0.68 H new ATOM 0 HG21 THR A 23 -17.847 -4.497 3.707 1.00 0.50 H new ATOM 0 HG22 THR A 23 -17.016 -5.442 4.965 1.00 0.50 H new ATOM 0 HG23 THR A 23 -18.538 -6.039 4.264 1.00 0.50 H new ATOM 449 N MET A 24 -16.656 -5.082 7.524 1.00 0.54 N ATOM 450 CA MET A 24 -15.284 -5.494 7.796 1.00 0.48 C ATOM 451 C MET A 24 -14.573 -5.814 6.487 1.00 0.43 C ATOM 452 O MET A 24 -15.121 -6.486 5.619 1.00 0.47 O ATOM 453 CB MET A 24 -15.234 -6.675 8.769 1.00 0.60 C ATOM 454 CG MET A 24 -14.122 -6.570 9.787 1.00 0.57 C ATOM 455 SD MET A 24 -14.433 -7.577 11.246 1.00 0.83 S ATOM 456 CE MET A 24 -13.310 -6.803 12.399 1.00 0.71 C ATOM 0 H MET A 24 -16.784 -4.070 7.534 1.00 0.54 H new ATOM 0 HA MET A 24 -14.762 -4.669 8.280 1.00 0.48 H new ATOM 0 HB2 MET A 24 -16.188 -6.746 9.291 1.00 0.60 H new ATOM 0 HB3 MET A 24 -15.111 -7.598 8.202 1.00 0.60 H new ATOM 0 HG2 MET A 24 -13.183 -6.879 9.329 1.00 0.57 H new ATOM 0 HG3 MET A 24 -14.003 -5.529 10.086 1.00 0.57 H new ATOM 0 HE1 MET A 24 -13.387 -7.295 13.368 1.00 0.71 H new ATOM 0 HE2 MET A 24 -12.289 -6.891 12.028 1.00 0.71 H new ATOM 0 HE3 MET A 24 -13.567 -5.749 12.506 1.00 0.71 H new ATOM 466 N VAL A 25 -13.364 -5.281 6.356 1.00 0.40 N ATOM 467 CA VAL A 25 -12.593 -5.335 5.107 1.00 0.38 C ATOM 468 C VAL A 25 -12.627 -6.706 4.421 1.00 0.39 C ATOM 469 O VAL A 25 -12.851 -6.784 3.213 1.00 0.39 O ATOM 470 CB VAL A 25 -11.136 -4.905 5.342 1.00 0.41 C ATOM 471 CG1 VAL A 25 -10.288 -5.101 4.092 1.00 0.42 C ATOM 472 CG2 VAL A 25 -11.107 -3.457 5.782 1.00 0.40 C ATOM 0 H VAL A 25 -12.883 -4.796 7.113 1.00 0.40 H new ATOM 0 HA VAL A 25 -13.080 -4.633 4.431 1.00 0.38 H new ATOM 0 HB VAL A 25 -10.710 -5.533 6.124 1.00 0.41 H new ATOM 0 HG11 VAL A 25 -9.264 -4.787 4.294 1.00 0.42 H new ATOM 0 HG12 VAL A 25 -10.295 -6.153 3.809 1.00 0.42 H new ATOM 0 HG13 VAL A 25 -10.697 -4.503 3.278 1.00 0.42 H new ATOM 0 HG21 VAL A 25 -10.075 -3.148 5.950 1.00 0.40 H new ATOM 0 HG22 VAL A 25 -11.551 -2.832 5.007 1.00 0.40 H new ATOM 0 HG23 VAL A 25 -11.674 -3.346 6.707 1.00 0.40 H new ATOM 482 N TYR A 26 -12.422 -7.777 5.185 1.00 0.42 N ATOM 483 CA TYR A 26 -12.390 -9.116 4.597 1.00 0.45 C ATOM 484 C TYR A 26 -13.722 -9.460 3.923 1.00 0.43 C ATOM 485 O TYR A 26 -13.752 -10.102 2.868 1.00 0.42 O ATOM 486 CB TYR A 26 -12.004 -10.184 5.636 1.00 0.52 C ATOM 487 CG TYR A 26 -12.946 -10.326 6.817 1.00 0.56 C ATOM 488 CD1 TYR A 26 -14.120 -11.057 6.705 1.00 0.70 C ATOM 489 CD2 TYR A 26 -12.673 -9.708 8.033 1.00 0.58 C ATOM 490 CE1 TYR A 26 -14.993 -11.170 7.769 1.00 0.78 C ATOM 491 CE2 TYR A 26 -13.539 -9.822 9.102 1.00 0.65 C ATOM 492 CZ TYR A 26 -14.649 -10.619 8.997 1.00 0.72 C ATOM 493 OH TYR A 26 -15.569 -10.667 10.026 1.00 0.83 O ATOM 0 H TYR A 26 -12.278 -7.747 6.194 1.00 0.42 H new ATOM 0 HA TYR A 26 -11.617 -9.112 3.828 1.00 0.45 H new ATOM 0 HB2 TYR A 26 -11.937 -11.148 5.131 1.00 0.52 H new ATOM 0 HB3 TYR A 26 -11.009 -9.952 6.015 1.00 0.52 H new ATOM 0 HD1 TYR A 26 -14.355 -11.545 5.771 1.00 0.70 H new ATOM 0 HD2 TYR A 26 -11.768 -9.129 8.143 1.00 0.58 H new ATOM 0 HE1 TYR A 26 -15.936 -11.683 7.647 1.00 0.78 H new ATOM 0 HE2 TYR A 26 -13.342 -9.285 10.018 1.00 0.65 H new ATOM 0 HH TYR A 26 -15.469 -9.873 10.592 1.00 0.83 H new ATOM 503 N ASP A 27 -14.815 -8.997 4.518 1.00 0.43 N ATOM 504 CA ASP A 27 -16.144 -9.254 3.983 1.00 0.44 C ATOM 505 C ASP A 27 -16.402 -8.336 2.796 1.00 0.39 C ATOM 506 O ASP A 27 -16.979 -8.739 1.791 1.00 0.40 O ATOM 507 CB ASP A 27 -17.205 -9.037 5.062 1.00 0.50 C ATOM 508 CG ASP A 27 -18.523 -9.708 4.736 1.00 0.91 C ATOM 509 OD1 ASP A 27 -19.128 -9.356 3.704 1.00 1.48 O ATOM 510 OD2 ASP A 27 -18.973 -10.575 5.511 1.00 1.24 O ATOM 0 H ASP A 27 -14.805 -8.441 5.373 1.00 0.43 H new ATOM 0 HA ASP A 27 -16.200 -10.291 3.652 1.00 0.44 H new ATOM 0 HB2 ASP A 27 -16.833 -9.420 6.012 1.00 0.50 H new ATOM 0 HB3 ASP A 27 -17.370 -7.967 5.192 1.00 0.50 H new ATOM 515 N ALA A 28 -15.963 -7.090 2.919 1.00 0.37 N ATOM 516 CA ALA A 28 -16.062 -6.130 1.826 1.00 0.33 C ATOM 517 C ALA A 28 -15.422 -6.688 0.563 1.00 0.32 C ATOM 518 O ALA A 28 -16.015 -6.650 -0.517 1.00 0.31 O ATOM 519 CB ALA A 28 -15.398 -4.817 2.215 1.00 0.33 C ATOM 0 H ALA A 28 -15.534 -6.719 3.767 1.00 0.37 H new ATOM 0 HA ALA A 28 -17.117 -5.945 1.626 1.00 0.33 H new ATOM 0 HB1 ALA A 28 -15.479 -4.110 1.390 1.00 0.33 H new ATOM 0 HB2 ALA A 28 -15.892 -4.406 3.095 1.00 0.33 H new ATOM 0 HB3 ALA A 28 -14.346 -4.994 2.439 1.00 0.33 H new ATOM 525 N CYS A 29 -14.220 -7.222 0.727 1.00 0.35 N ATOM 526 CA CYS A 29 -13.454 -7.792 -0.373 1.00 0.37 C ATOM 527 C CYS A 29 -14.237 -8.879 -1.117 1.00 0.38 C ATOM 528 O CYS A 29 -14.117 -9.007 -2.336 1.00 0.40 O ATOM 529 CB CYS A 29 -12.136 -8.363 0.161 1.00 0.45 C ATOM 530 SG CYS A 29 -11.026 -9.001 -1.114 1.00 1.37 S ATOM 0 H CYS A 29 -13.747 -7.272 1.629 1.00 0.35 H new ATOM 0 HA CYS A 29 -13.250 -6.994 -1.087 1.00 0.37 H new ATOM 0 HB2 CYS A 29 -11.617 -7.584 0.720 1.00 0.45 H new ATOM 0 HB3 CYS A 29 -12.360 -9.165 0.864 1.00 0.45 H new ATOM 0 HG CYS A 29 -9.943 -9.457 -0.558 1.00 1.37 H new ATOM 536 N ARG A 30 -15.058 -9.643 -0.402 1.00 0.40 N ATOM 537 CA ARG A 30 -15.766 -10.761 -1.023 1.00 0.44 C ATOM 538 C ARG A 30 -16.939 -10.260 -1.864 1.00 0.42 C ATOM 539 O ARG A 30 -17.252 -10.826 -2.911 1.00 0.45 O ATOM 540 CB ARG A 30 -16.258 -11.774 0.027 1.00 0.49 C ATOM 541 CG ARG A 30 -17.511 -11.345 0.774 1.00 0.53 C ATOM 542 CD ARG A 30 -17.960 -12.394 1.775 1.00 0.71 C ATOM 543 NE ARG A 30 -19.066 -11.911 2.599 1.00 1.12 N ATOM 544 CZ ARG A 30 -20.060 -12.677 3.051 1.00 1.68 C ATOM 545 NH1 ARG A 30 -20.120 -13.963 2.732 1.00 1.94 N ATOM 546 NH2 ARG A 30 -20.994 -12.153 3.832 1.00 2.41 N ATOM 0 H ARG A 30 -15.248 -9.513 0.592 1.00 0.40 H new ATOM 0 HA ARG A 30 -15.058 -11.271 -1.676 1.00 0.44 H new ATOM 0 HB2 ARG A 30 -16.452 -12.726 -0.467 1.00 0.49 H new ATOM 0 HB3 ARG A 30 -15.460 -11.947 0.749 1.00 0.49 H new ATOM 0 HG2 ARG A 30 -17.320 -10.406 1.293 1.00 0.53 H new ATOM 0 HG3 ARG A 30 -18.313 -11.158 0.060 1.00 0.53 H new ATOM 0 HD2 ARG A 30 -18.267 -13.296 1.245 1.00 0.71 H new ATOM 0 HD3 ARG A 30 -17.122 -12.670 2.415 1.00 0.71 H new ATOM 0 HE ARG A 30 -19.079 -10.921 2.845 1.00 1.12 H new ATOM 0 HH11 ARG A 30 -19.402 -14.375 2.136 1.00 1.94 H new ATOM 0 HH12 ARG A 30 -20.884 -14.540 3.083 1.00 1.94 H new ATOM 0 HH21 ARG A 30 -20.952 -11.166 4.086 1.00 2.41 H new ATOM 0 HH22 ARG A 30 -21.755 -12.737 4.179 1.00 2.41 H new ATOM 560 N MET A 31 -17.585 -9.201 -1.401 1.00 0.39 N ATOM 561 CA MET A 31 -18.740 -8.653 -2.089 1.00 0.40 C ATOM 562 C MET A 31 -18.336 -7.767 -3.257 1.00 0.38 C ATOM 563 O MET A 31 -18.934 -7.839 -4.326 1.00 0.44 O ATOM 564 CB MET A 31 -19.605 -7.865 -1.116 1.00 0.39 C ATOM 565 CG MET A 31 -20.052 -8.691 0.072 1.00 0.43 C ATOM 566 SD MET A 31 -21.031 -7.740 1.238 1.00 0.45 S ATOM 567 CE MET A 31 -19.786 -6.581 1.791 1.00 0.39 C ATOM 0 H MET A 31 -17.327 -8.704 -0.549 1.00 0.39 H new ATOM 0 HA MET A 31 -19.311 -9.491 -2.489 1.00 0.40 H new ATOM 0 HB2 MET A 31 -19.048 -6.998 -0.761 1.00 0.39 H new ATOM 0 HB3 MET A 31 -20.482 -7.487 -1.641 1.00 0.39 H new ATOM 0 HG2 MET A 31 -20.636 -9.542 -0.280 1.00 0.43 H new ATOM 0 HG3 MET A 31 -19.176 -9.094 0.581 1.00 0.43 H new ATOM 0 HE1 MET A 31 -20.205 -5.939 2.566 1.00 0.39 H new ATOM 0 HE2 MET A 31 -18.934 -7.128 2.195 1.00 0.39 H new ATOM 0 HE3 MET A 31 -19.459 -5.969 0.950 1.00 0.39 H new ATOM 577 N ILE A 32 -17.325 -6.931 -3.061 1.00 0.34 N ATOM 578 CA ILE A 32 -16.914 -6.000 -4.103 1.00 0.33 C ATOM 579 C ILE A 32 -16.407 -6.751 -5.336 1.00 0.36 C ATOM 580 O ILE A 32 -16.789 -6.431 -6.458 1.00 0.40 O ATOM 581 CB ILE A 32 -15.857 -4.996 -3.594 1.00 0.30 C ATOM 582 CG1 ILE A 32 -15.535 -3.981 -4.688 1.00 0.40 C ATOM 583 CG2 ILE A 32 -14.591 -5.703 -3.125 1.00 0.30 C ATOM 584 CD1 ILE A 32 -14.569 -2.911 -4.249 1.00 0.48 C ATOM 0 H ILE A 32 -16.780 -6.878 -2.200 1.00 0.34 H new ATOM 0 HA ILE A 32 -17.794 -5.424 -4.390 1.00 0.33 H new ATOM 0 HB ILE A 32 -16.273 -4.472 -2.733 1.00 0.30 H new ATOM 0 HG12 ILE A 32 -15.118 -4.505 -5.548 1.00 0.40 H new ATOM 0 HG13 ILE A 32 -16.460 -3.510 -5.020 1.00 0.40 H new ATOM 0 HG21 ILE A 32 -13.870 -4.964 -2.774 1.00 0.30 H new ATOM 0 HG22 ILE A 32 -14.836 -6.386 -2.312 1.00 0.30 H new ATOM 0 HG23 ILE A 32 -14.160 -6.265 -3.953 1.00 0.30 H new ATOM 0 HD11 ILE A 32 -14.386 -2.225 -5.076 1.00 0.48 H new ATOM 0 HD12 ILE A 32 -14.992 -2.361 -3.408 1.00 0.48 H new ATOM 0 HD13 ILE A 32 -13.629 -3.372 -3.945 1.00 0.48 H new ATOM 596 N ARG A 33 -15.576 -7.764 -5.112 1.00 0.36 N ATOM 597 CA ARG A 33 -15.093 -8.626 -6.189 1.00 0.41 C ATOM 598 C ARG A 33 -16.245 -9.333 -6.893 1.00 0.45 C ATOM 599 O ARG A 33 -16.153 -9.672 -8.072 1.00 0.49 O ATOM 600 CB ARG A 33 -14.105 -9.661 -5.652 1.00 0.45 C ATOM 601 CG ARG A 33 -12.756 -9.077 -5.269 1.00 1.01 C ATOM 602 CD ARG A 33 -11.789 -10.166 -4.838 1.00 0.94 C ATOM 603 NE ARG A 33 -12.195 -10.803 -3.585 1.00 0.64 N ATOM 604 CZ ARG A 33 -12.119 -12.115 -3.353 1.00 0.84 C ATOM 605 NH1 ARG A 33 -11.739 -12.943 -4.318 1.00 1.32 N ATOM 606 NH2 ARG A 33 -12.432 -12.603 -2.158 1.00 1.22 N ATOM 0 H ARG A 33 -15.220 -8.010 -4.188 1.00 0.36 H new ATOM 0 HA ARG A 33 -14.585 -7.989 -6.913 1.00 0.41 H new ATOM 0 HB2 ARG A 33 -14.541 -10.148 -4.780 1.00 0.45 H new ATOM 0 HB3 ARG A 33 -13.956 -10.433 -6.407 1.00 0.45 H new ATOM 0 HG2 ARG A 33 -12.339 -8.531 -6.116 1.00 1.01 H new ATOM 0 HG3 ARG A 33 -12.884 -8.359 -4.459 1.00 1.01 H new ATOM 0 HD2 ARG A 33 -11.722 -10.921 -5.622 1.00 0.94 H new ATOM 0 HD3 ARG A 33 -10.793 -9.739 -4.720 1.00 0.94 H new ATOM 0 HE ARG A 33 -12.559 -10.207 -2.842 1.00 0.64 H new ATOM 0 HH11 ARG A 33 -11.504 -12.577 -5.241 1.00 1.32 H new ATOM 0 HH12 ARG A 33 -11.682 -13.945 -4.137 1.00 1.32 H new ATOM 0 HH21 ARG A 33 -12.732 -11.974 -1.413 1.00 1.22 H new ATOM 0 HH22 ARG A 33 -12.372 -13.607 -1.985 1.00 1.22 H new ATOM 620 N GLU A 34 -17.325 -9.547 -6.157 1.00 0.46 N ATOM 621 CA GLU A 34 -18.465 -10.290 -6.672 1.00 0.51 C ATOM 622 C GLU A 34 -19.184 -9.492 -7.760 1.00 0.50 C ATOM 623 O GLU A 34 -19.280 -9.931 -8.904 1.00 0.54 O ATOM 624 CB GLU A 34 -19.441 -10.616 -5.538 1.00 0.55 C ATOM 625 CG GLU A 34 -20.663 -11.402 -5.983 1.00 0.90 C ATOM 626 CD GLU A 34 -20.335 -12.832 -6.355 1.00 1.51 C ATOM 627 OE1 GLU A 34 -19.698 -13.037 -7.408 1.00 2.40 O ATOM 628 OE2 GLU A 34 -20.701 -13.752 -5.598 1.00 1.50 O ATOM 0 H GLU A 34 -17.436 -9.216 -5.199 1.00 0.46 H new ATOM 0 HA GLU A 34 -18.097 -11.220 -7.106 1.00 0.51 H new ATOM 0 HB2 GLU A 34 -18.915 -11.185 -4.771 1.00 0.55 H new ATOM 0 HB3 GLU A 34 -19.769 -9.685 -5.075 1.00 0.55 H new ATOM 0 HG2 GLU A 34 -21.403 -11.400 -5.182 1.00 0.90 H new ATOM 0 HG3 GLU A 34 -21.118 -10.904 -6.839 1.00 0.90 H new ATOM 635 N ARG A 35 -19.673 -8.311 -7.401 1.00 0.51 N ATOM 636 CA ARG A 35 -20.425 -7.487 -8.344 1.00 0.55 C ATOM 637 C ARG A 35 -19.515 -6.668 -9.257 1.00 0.49 C ATOM 638 O ARG A 35 -19.837 -6.464 -10.427 1.00 0.54 O ATOM 639 CB ARG A 35 -21.420 -6.570 -7.622 1.00 0.72 C ATOM 640 CG ARG A 35 -20.836 -5.795 -6.455 1.00 0.77 C ATOM 641 CD ARG A 35 -21.350 -6.329 -5.126 1.00 0.79 C ATOM 642 NE ARG A 35 -22.803 -6.213 -5.013 1.00 1.02 N ATOM 643 CZ ARG A 35 -23.455 -6.059 -3.862 1.00 1.46 C ATOM 644 NH1 ARG A 35 -22.793 -6.057 -2.710 1.00 1.79 N ATOM 645 NH2 ARG A 35 -24.773 -5.919 -3.869 1.00 1.90 N ATOM 0 H ARG A 35 -19.565 -7.904 -6.472 1.00 0.51 H new ATOM 0 HA ARG A 35 -20.985 -8.179 -8.973 1.00 0.55 H new ATOM 0 HB2 ARG A 35 -21.829 -5.862 -8.342 1.00 0.72 H new ATOM 0 HB3 ARG A 35 -22.252 -7.173 -7.260 1.00 0.72 H new ATOM 0 HG2 ARG A 35 -19.748 -5.861 -6.480 1.00 0.77 H new ATOM 0 HG3 ARG A 35 -21.094 -4.740 -6.550 1.00 0.77 H new ATOM 0 HD2 ARG A 35 -21.061 -7.374 -5.019 1.00 0.79 H new ATOM 0 HD3 ARG A 35 -20.878 -5.783 -4.309 1.00 0.79 H new ATOM 0 HE ARG A 35 -23.353 -6.253 -5.871 1.00 1.02 H new ATOM 0 HH11 ARG A 35 -21.780 -6.174 -2.704 1.00 1.79 H new ATOM 0 HH12 ARG A 35 -23.298 -5.939 -1.832 1.00 1.79 H new ATOM 0 HH21 ARG A 35 -25.282 -5.930 -4.753 1.00 1.90 H new ATOM 0 HH22 ARG A 35 -25.278 -5.801 -2.991 1.00 1.90 H new ATOM 659 N ILE A 36 -18.391 -6.195 -8.736 1.00 0.45 N ATOM 660 CA ILE A 36 -17.496 -5.346 -9.516 1.00 0.43 C ATOM 661 C ILE A 36 -16.299 -6.148 -10.022 1.00 0.45 C ATOM 662 O ILE A 36 -15.374 -6.446 -9.265 1.00 0.44 O ATOM 663 CB ILE A 36 -16.992 -4.135 -8.696 1.00 0.43 C ATOM 664 CG1 ILE A 36 -18.172 -3.395 -8.055 1.00 0.43 C ATOM 665 CG2 ILE A 36 -16.193 -3.185 -9.581 1.00 0.44 C ATOM 666 CD1 ILE A 36 -17.756 -2.224 -7.190 1.00 0.44 C ATOM 0 H ILE A 36 -18.077 -6.382 -7.784 1.00 0.45 H new ATOM 0 HA ILE A 36 -18.070 -4.971 -10.364 1.00 0.43 H new ATOM 0 HB ILE A 36 -16.339 -4.504 -7.905 1.00 0.43 H new ATOM 0 HG12 ILE A 36 -18.836 -3.037 -8.842 1.00 0.43 H new ATOM 0 HG13 ILE A 36 -18.745 -4.097 -7.450 1.00 0.43 H new ATOM 0 HG21 ILE A 36 -15.847 -2.339 -8.987 1.00 0.44 H new ATOM 0 HG22 ILE A 36 -15.334 -3.712 -9.998 1.00 0.44 H new ATOM 0 HG23 ILE A 36 -16.826 -2.824 -10.392 1.00 0.44 H new ATOM 0 HD11 ILE A 36 -18.643 -1.749 -6.770 1.00 0.44 H new ATOM 0 HD12 ILE A 36 -17.117 -2.578 -6.381 1.00 0.44 H new ATOM 0 HD13 ILE A 36 -17.209 -1.501 -7.795 1.00 0.44 H new ATOM 678 N PRO A 37 -16.297 -6.503 -11.316 1.00 0.53 N ATOM 679 CA PRO A 37 -15.226 -7.307 -11.913 1.00 0.60 C ATOM 680 C PRO A 37 -13.918 -6.530 -12.045 1.00 0.61 C ATOM 681 O PRO A 37 -12.840 -7.117 -12.092 1.00 0.71 O ATOM 682 CB PRO A 37 -15.777 -7.669 -13.292 1.00 0.73 C ATOM 683 CG PRO A 37 -16.751 -6.587 -13.610 1.00 0.76 C ATOM 684 CD PRO A 37 -17.341 -6.155 -12.298 1.00 0.60 C ATOM 0 HA PRO A 37 -14.979 -8.173 -11.299 1.00 0.60 H new ATOM 0 HB2 PRO A 37 -14.982 -7.716 -14.036 1.00 0.73 H new ATOM 0 HB3 PRO A 37 -16.261 -8.646 -13.281 1.00 0.73 H new ATOM 0 HG2 PRO A 37 -16.257 -5.753 -14.108 1.00 0.76 H new ATOM 0 HG3 PRO A 37 -17.527 -6.948 -14.286 1.00 0.76 H new ATOM 0 HD2 PRO A 37 -17.560 -5.087 -12.289 1.00 0.60 H new ATOM 0 HD3 PRO A 37 -18.277 -6.674 -12.089 1.00 0.60 H new ATOM 692 N GLU A 38 -14.022 -5.206 -12.078 1.00 0.57 N ATOM 693 CA GLU A 38 -12.855 -4.343 -12.246 1.00 0.61 C ATOM 694 C GLU A 38 -11.951 -4.384 -11.015 1.00 0.54 C ATOM 695 O GLU A 38 -10.796 -3.961 -11.068 1.00 0.62 O ATOM 696 CB GLU A 38 -13.298 -2.904 -12.516 1.00 0.75 C ATOM 697 CG GLU A 38 -14.103 -2.742 -13.795 1.00 0.99 C ATOM 698 CD GLU A 38 -13.305 -3.092 -15.034 1.00 1.67 C ATOM 699 OE1 GLU A 38 -13.274 -4.278 -15.415 1.00 2.04 O ATOM 700 OE2 GLU A 38 -12.705 -2.178 -15.637 1.00 2.46 O ATOM 0 H GLU A 38 -14.906 -4.704 -11.990 1.00 0.57 H new ATOM 0 HA GLU A 38 -12.286 -4.713 -13.099 1.00 0.61 H new ATOM 0 HB2 GLU A 38 -13.895 -2.553 -11.674 1.00 0.75 H new ATOM 0 HB3 GLU A 38 -12.416 -2.266 -12.569 1.00 0.75 H new ATOM 0 HG2 GLU A 38 -14.988 -3.377 -13.746 1.00 0.99 H new ATOM 0 HG3 GLU A 38 -14.453 -1.713 -13.872 1.00 0.99 H new ATOM 707 N ALA A 39 -12.481 -4.913 -9.921 1.00 0.47 N ATOM 708 CA ALA A 39 -11.770 -4.933 -8.650 1.00 0.47 C ATOM 709 C ALA A 39 -10.600 -5.915 -8.657 1.00 0.49 C ATOM 710 O ALA A 39 -9.518 -5.606 -8.160 1.00 0.55 O ATOM 711 CB ALA A 39 -12.735 -5.274 -7.523 1.00 0.47 C ATOM 0 H ALA A 39 -13.408 -5.337 -9.889 1.00 0.47 H new ATOM 0 HA ALA A 39 -11.355 -3.938 -8.490 1.00 0.47 H new ATOM 0 HB1 ALA A 39 -12.197 -5.287 -6.575 1.00 0.47 H new ATOM 0 HB2 ALA A 39 -13.525 -4.524 -7.481 1.00 0.47 H new ATOM 0 HB3 ALA A 39 -13.175 -6.255 -7.705 1.00 0.47 H new ATOM 717 N LEU A 40 -10.806 -7.090 -9.234 1.00 0.50 N ATOM 718 CA LEU A 40 -9.819 -8.156 -9.129 1.00 0.59 C ATOM 719 C LEU A 40 -8.908 -8.239 -10.357 1.00 0.67 C ATOM 720 O LEU A 40 -8.845 -9.259 -11.044 1.00 0.99 O ATOM 721 CB LEU A 40 -10.470 -9.527 -8.807 1.00 0.65 C ATOM 722 CG LEU A 40 -11.786 -9.910 -9.527 1.00 0.62 C ATOM 723 CD1 LEU A 40 -12.959 -9.082 -9.027 1.00 1.29 C ATOM 724 CD2 LEU A 40 -11.657 -9.783 -11.034 1.00 1.19 C ATOM 0 H LEU A 40 -11.638 -7.329 -9.774 1.00 0.50 H new ATOM 0 HA LEU A 40 -9.182 -7.895 -8.284 1.00 0.59 H new ATOM 0 HB2 LEU A 40 -9.735 -10.302 -9.026 1.00 0.65 H new ATOM 0 HB3 LEU A 40 -10.658 -9.560 -7.734 1.00 0.65 H new ATOM 0 HG LEU A 40 -11.981 -10.956 -9.289 1.00 0.62 H new ATOM 0 HD11 LEU A 40 -13.865 -9.379 -9.555 1.00 1.29 H new ATOM 0 HD12 LEU A 40 -13.091 -9.247 -7.958 1.00 1.29 H new ATOM 0 HD13 LEU A 40 -12.762 -8.025 -9.209 1.00 1.29 H new ATOM 0 HD21 LEU A 40 -12.600 -10.060 -11.505 1.00 1.19 H new ATOM 0 HD22 LEU A 40 -11.411 -8.753 -11.293 1.00 1.19 H new ATOM 0 HD23 LEU A 40 -10.867 -10.445 -11.389 1.00 1.19 H new ATOM 736 N ALA A 41 -8.158 -7.171 -10.597 1.00 0.65 N ATOM 737 CA ALA A 41 -7.187 -7.140 -11.689 1.00 0.74 C ATOM 738 C ALA A 41 -5.943 -7.965 -11.338 1.00 0.81 C ATOM 739 O ALA A 41 -4.873 -7.796 -11.926 1.00 1.15 O ATOM 740 CB ALA A 41 -6.805 -5.701 -12.003 1.00 0.92 C ATOM 0 H ALA A 41 -8.202 -6.311 -10.050 1.00 0.65 H new ATOM 0 HA ALA A 41 -7.644 -7.584 -12.573 1.00 0.74 H new ATOM 0 HB1 ALA A 41 -6.081 -5.686 -12.818 1.00 0.92 H new ATOM 0 HB2 ALA A 41 -7.695 -5.144 -12.298 1.00 0.92 H new ATOM 0 HB3 ALA A 41 -6.365 -5.240 -11.119 1.00 0.92 H new ATOM 746 N GLY A 42 -6.112 -8.863 -10.381 1.00 0.75 N ATOM 747 CA GLY A 42 -5.047 -9.717 -9.911 1.00 0.86 C ATOM 748 C GLY A 42 -5.546 -10.570 -8.768 1.00 0.80 C ATOM 749 O GLY A 42 -6.761 -10.722 -8.611 1.00 0.82 O ATOM 0 H GLY A 42 -7.002 -9.017 -9.908 1.00 0.75 H new ATOM 0 HA2 GLY A 42 -4.691 -10.351 -10.723 1.00 0.86 H new ATOM 0 HA3 GLY A 42 -4.201 -9.113 -9.584 1.00 0.86 H new ATOM 753 N PRO A 43 -4.662 -11.132 -7.938 1.00 0.83 N ATOM 754 CA PRO A 43 -5.078 -11.914 -6.780 1.00 0.82 C ATOM 755 C PRO A 43 -5.655 -11.020 -5.687 1.00 0.72 C ATOM 756 O PRO A 43 -5.064 -9.997 -5.339 1.00 0.66 O ATOM 757 CB PRO A 43 -3.792 -12.601 -6.300 1.00 0.94 C ATOM 758 CG PRO A 43 -2.755 -12.302 -7.337 1.00 1.09 C ATOM 759 CD PRO A 43 -3.203 -11.056 -8.048 1.00 0.98 C ATOM 0 HA PRO A 43 -5.865 -12.627 -7.028 1.00 0.82 H new ATOM 0 HB2 PRO A 43 -3.488 -12.223 -5.324 1.00 0.94 H new ATOM 0 HB3 PRO A 43 -3.940 -13.676 -6.194 1.00 0.94 H new ATOM 0 HG2 PRO A 43 -1.778 -12.155 -6.876 1.00 1.09 H new ATOM 0 HG3 PRO A 43 -2.656 -13.132 -8.036 1.00 1.09 H new ATOM 0 HD2 PRO A 43 -2.807 -10.156 -7.577 1.00 0.98 H new ATOM 0 HD3 PRO A 43 -2.875 -11.042 -9.087 1.00 0.98 H new ATOM 767 N PRO A 44 -6.825 -11.393 -5.144 1.00 0.76 N ATOM 768 CA PRO A 44 -7.518 -10.637 -4.091 1.00 0.73 C ATOM 769 C PRO A 44 -6.623 -10.302 -2.902 1.00 0.69 C ATOM 770 O PRO A 44 -6.821 -9.286 -2.235 1.00 0.74 O ATOM 771 CB PRO A 44 -8.640 -11.586 -3.646 1.00 0.93 C ATOM 772 CG PRO A 44 -8.295 -12.906 -4.244 1.00 0.99 C ATOM 773 CD PRO A 44 -7.584 -12.588 -5.519 1.00 0.89 C ATOM 0 HA PRO A 44 -7.864 -9.673 -4.464 1.00 0.73 H new ATOM 0 HB2 PRO A 44 -8.695 -11.648 -2.559 1.00 0.93 H new ATOM 0 HB3 PRO A 44 -9.612 -11.238 -3.995 1.00 0.93 H new ATOM 0 HG2 PRO A 44 -7.661 -13.487 -3.575 1.00 0.99 H new ATOM 0 HG3 PRO A 44 -9.190 -13.499 -4.430 1.00 0.99 H new ATOM 0 HD2 PRO A 44 -6.934 -13.402 -5.840 1.00 0.89 H new ATOM 0 HD3 PRO A 44 -8.277 -12.393 -6.337 1.00 0.89 H new ATOM 781 N ASN A 45 -5.638 -11.151 -2.644 1.00 0.72 N ATOM 782 CA ASN A 45 -4.739 -10.951 -1.513 1.00 0.77 C ATOM 783 C ASN A 45 -3.828 -9.746 -1.749 1.00 0.71 C ATOM 784 O ASN A 45 -3.269 -9.186 -0.808 1.00 0.85 O ATOM 785 CB ASN A 45 -3.908 -12.216 -1.248 1.00 0.87 C ATOM 786 CG ASN A 45 -2.760 -12.403 -2.218 1.00 1.41 C ATOM 787 OD1 ASN A 45 -1.657 -11.909 -1.995 1.00 2.21 O ATOM 788 ND2 ASN A 45 -3.005 -13.146 -3.283 1.00 1.37 N ATOM 0 H ASN A 45 -5.440 -11.983 -3.200 1.00 0.72 H new ATOM 0 HA ASN A 45 -5.346 -10.750 -0.630 1.00 0.77 H new ATOM 0 HB2 ASN A 45 -3.512 -12.174 -0.233 1.00 0.87 H new ATOM 0 HB3 ASN A 45 -4.561 -13.087 -1.299 1.00 0.87 H new ATOM 0 HD21 ASN A 45 -2.263 -13.329 -3.959 1.00 1.37 H new ATOM 0 HD22 ASN A 45 -3.936 -13.537 -3.429 1.00 1.37 H new ATOM 795 N ASP A 46 -3.709 -9.328 -3.006 1.00 0.61 N ATOM 796 CA ASP A 46 -2.882 -8.177 -3.355 1.00 0.68 C ATOM 797 C ASP A 46 -3.733 -6.921 -3.494 1.00 0.57 C ATOM 798 O ASP A 46 -3.261 -5.899 -3.985 1.00 0.61 O ATOM 799 CB ASP A 46 -2.114 -8.415 -4.664 1.00 0.83 C ATOM 800 CG ASP A 46 -1.023 -9.462 -4.538 1.00 1.22 C ATOM 801 OD1 ASP A 46 -0.061 -9.239 -3.773 1.00 1.90 O ATOM 802 OD2 ASP A 46 -1.139 -10.531 -5.175 1.00 1.38 O ATOM 0 H ASP A 46 -4.174 -9.769 -3.799 1.00 0.61 H new ATOM 0 HA ASP A 46 -2.164 -8.040 -2.546 1.00 0.68 H new ATOM 0 HB2 ASP A 46 -2.816 -8.724 -5.438 1.00 0.83 H new ATOM 0 HB3 ASP A 46 -1.670 -7.475 -4.993 1.00 0.83 H new ATOM 807 N PHE A 47 -4.985 -6.992 -3.060 1.00 0.53 N ATOM 808 CA PHE A 47 -5.889 -5.848 -3.137 1.00 0.47 C ATOM 809 C PHE A 47 -6.476 -5.520 -1.768 1.00 0.44 C ATOM 810 O PHE A 47 -7.049 -6.383 -1.107 1.00 0.48 O ATOM 811 CB PHE A 47 -7.018 -6.115 -4.135 1.00 0.49 C ATOM 812 CG PHE A 47 -6.585 -6.079 -5.572 1.00 0.51 C ATOM 813 CD1 PHE A 47 -6.339 -4.869 -6.200 1.00 0.78 C ATOM 814 CD2 PHE A 47 -6.429 -7.248 -6.297 1.00 0.79 C ATOM 815 CE1 PHE A 47 -5.944 -4.825 -7.522 1.00 0.80 C ATOM 816 CE2 PHE A 47 -6.033 -7.209 -7.618 1.00 0.85 C ATOM 817 CZ PHE A 47 -5.791 -5.996 -8.232 1.00 0.63 C ATOM 0 H PHE A 47 -5.399 -7.829 -2.651 1.00 0.53 H new ATOM 0 HA PHE A 47 -5.309 -4.992 -3.481 1.00 0.47 H new ATOM 0 HB2 PHE A 47 -7.454 -7.091 -3.922 1.00 0.49 H new ATOM 0 HB3 PHE A 47 -7.804 -5.375 -3.985 1.00 0.49 H new ATOM 0 HD1 PHE A 47 -6.458 -3.948 -5.648 1.00 0.78 H new ATOM 0 HD2 PHE A 47 -6.619 -8.200 -5.824 1.00 0.79 H new ATOM 0 HE1 PHE A 47 -5.755 -3.875 -7.999 1.00 0.80 H new ATOM 0 HE2 PHE A 47 -5.912 -8.128 -8.172 1.00 0.85 H new ATOM 0 HZ PHE A 47 -5.482 -5.965 -9.267 1.00 0.63 H new ATOM 827 N GLY A 48 -6.315 -4.276 -1.340 1.00 0.42 N ATOM 828 CA GLY A 48 -6.851 -3.862 -0.060 1.00 0.41 C ATOM 829 C GLY A 48 -7.730 -2.634 -0.160 1.00 0.35 C ATOM 830 O GLY A 48 -7.862 -2.042 -1.231 1.00 0.34 O ATOM 0 H GLY A 48 -5.823 -3.547 -1.856 1.00 0.42 H new ATOM 0 HA2 GLY A 48 -7.427 -4.681 0.369 1.00 0.41 H new ATOM 0 HA3 GLY A 48 -6.028 -3.659 0.625 1.00 0.41 H new ATOM 834 N LEU A 49 -8.321 -2.247 0.960 1.00 0.31 N ATOM 835 CA LEU A 49 -9.207 -1.096 0.996 1.00 0.28 C ATOM 836 C LEU A 49 -8.465 0.141 1.487 1.00 0.29 C ATOM 837 O LEU A 49 -8.094 0.236 2.650 1.00 0.31 O ATOM 838 CB LEU A 49 -10.412 -1.372 1.898 1.00 0.26 C ATOM 839 CG LEU A 49 -11.304 -2.537 1.466 1.00 0.26 C ATOM 840 CD1 LEU A 49 -12.477 -2.689 2.418 1.00 0.27 C ATOM 841 CD2 LEU A 49 -11.800 -2.334 0.045 1.00 0.25 C ATOM 0 H LEU A 49 -8.202 -2.715 1.858 1.00 0.31 H new ATOM 0 HA LEU A 49 -9.561 -0.912 -0.018 1.00 0.28 H new ATOM 0 HB2 LEU A 49 -10.051 -1.569 2.907 1.00 0.26 H new ATOM 0 HB3 LEU A 49 -11.021 -0.469 1.947 1.00 0.26 H new ATOM 0 HG LEU A 49 -10.711 -3.451 1.496 1.00 0.26 H new ATOM 0 HD11 LEU A 49 -13.101 -3.522 2.096 1.00 0.27 H new ATOM 0 HD12 LEU A 49 -12.106 -2.881 3.425 1.00 0.27 H new ATOM 0 HD13 LEU A 49 -13.067 -1.772 2.418 1.00 0.27 H new ATOM 0 HD21 LEU A 49 -12.433 -3.174 -0.243 1.00 0.25 H new ATOM 0 HD22 LEU A 49 -12.376 -1.410 -0.011 1.00 0.25 H new ATOM 0 HD23 LEU A 49 -10.948 -2.272 -0.632 1.00 0.25 H new ATOM 853 N PHE A 50 -8.234 1.064 0.584 1.00 0.29 N ATOM 854 CA PHE A 50 -7.595 2.322 0.919 1.00 0.30 C ATOM 855 C PHE A 50 -8.655 3.385 1.159 1.00 0.30 C ATOM 856 O PHE A 50 -9.545 3.582 0.336 1.00 0.31 O ATOM 857 CB PHE A 50 -6.644 2.753 -0.203 1.00 0.34 C ATOM 858 CG PHE A 50 -5.895 4.028 0.081 1.00 0.34 C ATOM 859 CD1 PHE A 50 -4.741 4.015 0.849 1.00 0.37 C ATOM 860 CD2 PHE A 50 -6.344 5.239 -0.425 1.00 0.36 C ATOM 861 CE1 PHE A 50 -4.051 5.184 1.107 1.00 0.38 C ATOM 862 CE2 PHE A 50 -5.658 6.410 -0.169 1.00 0.38 C ATOM 863 CZ PHE A 50 -4.511 6.382 0.598 1.00 0.37 C ATOM 0 H PHE A 50 -8.481 0.969 -0.401 1.00 0.29 H new ATOM 0 HA PHE A 50 -7.010 2.194 1.830 1.00 0.30 H new ATOM 0 HB2 PHE A 50 -5.925 1.954 -0.382 1.00 0.34 H new ATOM 0 HB3 PHE A 50 -7.217 2.878 -1.122 1.00 0.34 H new ATOM 0 HD1 PHE A 50 -4.377 3.081 1.250 1.00 0.37 H new ATOM 0 HD2 PHE A 50 -7.241 5.266 -1.026 1.00 0.36 H new ATOM 0 HE1 PHE A 50 -3.153 5.161 1.706 1.00 0.38 H new ATOM 0 HE2 PHE A 50 -6.019 7.346 -0.568 1.00 0.38 H new ATOM 0 HZ PHE A 50 -3.974 7.297 0.800 1.00 0.37 H new ATOM 873 N LEU A 51 -8.576 4.065 2.286 1.00 0.30 N ATOM 874 CA LEU A 51 -9.534 5.110 2.582 1.00 0.32 C ATOM 875 C LEU A 51 -8.980 6.441 2.109 1.00 0.36 C ATOM 876 O LEU A 51 -8.002 6.956 2.661 1.00 0.38 O ATOM 877 CB LEU A 51 -9.863 5.139 4.083 1.00 0.33 C ATOM 878 CG LEU A 51 -11.099 5.964 4.488 1.00 0.35 C ATOM 879 CD1 LEU A 51 -10.762 7.440 4.637 1.00 0.46 C ATOM 880 CD2 LEU A 51 -12.217 5.779 3.472 1.00 0.41 C ATOM 0 H LEU A 51 -7.867 3.915 3.004 1.00 0.30 H new ATOM 0 HA LEU A 51 -10.466 4.910 2.054 1.00 0.32 H new ATOM 0 HB2 LEU A 51 -10.008 4.113 4.423 1.00 0.33 H new ATOM 0 HB3 LEU A 51 -8.998 5.532 4.617 1.00 0.33 H new ATOM 0 HG LEU A 51 -11.436 5.599 5.458 1.00 0.35 H new ATOM 0 HD11 LEU A 51 -11.658 7.991 4.923 1.00 0.46 H new ATOM 0 HD12 LEU A 51 -9.999 7.563 5.406 1.00 0.46 H new ATOM 0 HD13 LEU A 51 -10.387 7.825 3.689 1.00 0.46 H new ATOM 0 HD21 LEU A 51 -13.083 6.368 3.773 1.00 0.41 H new ATOM 0 HD22 LEU A 51 -11.876 6.110 2.491 1.00 0.41 H new ATOM 0 HD23 LEU A 51 -12.494 4.726 3.424 1.00 0.41 H new ATOM 892 N SER A 52 -9.592 6.972 1.066 1.00 0.42 N ATOM 893 CA SER A 52 -9.165 8.227 0.487 1.00 0.53 C ATOM 894 C SER A 52 -9.645 9.391 1.346 1.00 0.61 C ATOM 895 O SER A 52 -10.740 9.914 1.142 1.00 0.93 O ATOM 896 CB SER A 52 -9.702 8.352 -0.942 1.00 0.67 C ATOM 897 OG SER A 52 -9.488 7.150 -1.668 1.00 1.28 O ATOM 0 H SER A 52 -10.394 6.546 0.601 1.00 0.42 H new ATOM 0 HA SER A 52 -8.076 8.252 0.452 1.00 0.53 H new ATOM 0 HB2 SER A 52 -10.767 8.582 -0.916 1.00 0.67 H new ATOM 0 HB3 SER A 52 -9.209 9.181 -1.449 1.00 0.67 H new ATOM 0 HG SER A 52 -9.839 7.250 -2.577 1.00 1.28 H new ATOM 903 N ASP A 53 -8.842 9.745 2.340 1.00 0.74 N ATOM 904 CA ASP A 53 -9.154 10.863 3.221 1.00 0.90 C ATOM 905 C ASP A 53 -9.188 12.163 2.430 1.00 1.04 C ATOM 906 O ASP A 53 -10.256 12.738 2.208 1.00 1.28 O ATOM 907 CB ASP A 53 -8.119 10.963 4.343 1.00 0.89 C ATOM 908 CG ASP A 53 -8.379 12.134 5.269 1.00 1.18 C ATOM 909 OD1 ASP A 53 -9.204 11.996 6.196 1.00 1.42 O ATOM 910 OD2 ASP A 53 -7.769 13.199 5.065 1.00 1.24 O ATOM 0 H ASP A 53 -7.965 9.272 2.557 1.00 0.74 H new ATOM 0 HA ASP A 53 -10.136 10.691 3.663 1.00 0.90 H new ATOM 0 HB2 ASP A 53 -8.124 10.039 4.921 1.00 0.89 H new ATOM 0 HB3 ASP A 53 -7.124 11.062 3.908 1.00 0.89 H new ATOM 915 N ASP A 54 -8.007 12.599 2.001 1.00 0.93 N ATOM 916 CA ASP A 54 -7.851 13.782 1.159 1.00 1.10 C ATOM 917 C ASP A 54 -6.369 14.010 0.906 1.00 1.02 C ATOM 918 O ASP A 54 -5.937 14.226 -0.227 1.00 1.22 O ATOM 919 CB ASP A 54 -8.469 15.024 1.810 1.00 1.26 C ATOM 920 CG ASP A 54 -8.603 16.172 0.833 1.00 1.47 C ATOM 921 OD1 ASP A 54 -9.509 16.122 -0.029 1.00 1.73 O ATOM 922 OD2 ASP A 54 -7.810 17.134 0.918 1.00 1.45 O ATOM 0 H ASP A 54 -7.126 12.139 2.229 1.00 0.93 H new ATOM 0 HA ASP A 54 -8.374 13.613 0.218 1.00 1.10 H new ATOM 0 HB2 ASP A 54 -9.451 14.772 2.210 1.00 1.26 H new ATOM 0 HB3 ASP A 54 -7.852 15.336 2.653 1.00 1.26 H new ATOM 927 N ASP A 55 -5.593 13.946 1.980 1.00 0.87 N ATOM 928 CA ASP A 55 -4.139 13.981 1.885 1.00 0.94 C ATOM 929 C ASP A 55 -3.595 12.562 1.848 1.00 0.87 C ATOM 930 O ASP A 55 -4.092 11.690 2.560 1.00 0.71 O ATOM 931 CB ASP A 55 -3.519 14.719 3.077 1.00 0.99 C ATOM 932 CG ASP A 55 -3.710 16.218 3.024 1.00 1.39 C ATOM 933 OD1 ASP A 55 -4.761 16.703 3.482 1.00 1.79 O ATOM 934 OD2 ASP A 55 -2.791 16.920 2.554 1.00 1.58 O ATOM 0 H ASP A 55 -5.949 13.869 2.933 1.00 0.87 H new ATOM 0 HA ASP A 55 -3.876 14.513 0.971 1.00 0.94 H new ATOM 0 HB2 ASP A 55 -3.958 14.337 3.999 1.00 0.99 H new ATOM 0 HB3 ASP A 55 -2.452 14.498 3.116 1.00 0.99 H new ATOM 939 N PRO A 56 -2.571 12.310 1.020 1.00 1.06 N ATOM 940 CA PRO A 56 -1.922 10.995 0.929 1.00 1.08 C ATOM 941 C PRO A 56 -1.330 10.546 2.267 1.00 0.98 C ATOM 942 O PRO A 56 -1.235 9.353 2.546 1.00 0.97 O ATOM 943 CB PRO A 56 -0.807 11.207 -0.106 1.00 1.35 C ATOM 944 CG PRO A 56 -0.627 12.685 -0.189 1.00 1.48 C ATOM 945 CD PRO A 56 -1.975 13.279 0.087 1.00 1.33 C ATOM 0 HA PRO A 56 -2.630 10.214 0.652 1.00 1.08 H new ATOM 0 HB2 PRO A 56 0.115 10.715 0.202 1.00 1.35 H new ATOM 0 HB3 PRO A 56 -1.083 10.789 -1.074 1.00 1.35 H new ATOM 0 HG2 PRO A 56 0.108 13.030 0.538 1.00 1.48 H new ATOM 0 HG3 PRO A 56 -0.264 12.980 -1.174 1.00 1.48 H new ATOM 0 HD2 PRO A 56 -1.897 14.272 0.530 1.00 1.33 H new ATOM 0 HD3 PRO A 56 -2.566 13.381 -0.823 1.00 1.33 H new ATOM 953 N LYS A 57 -0.948 11.513 3.095 1.00 0.99 N ATOM 954 CA LYS A 57 -0.378 11.222 4.407 1.00 1.02 C ATOM 955 C LYS A 57 -1.474 10.772 5.370 1.00 0.82 C ATOM 956 O LYS A 57 -1.260 9.911 6.218 1.00 0.87 O ATOM 957 CB LYS A 57 0.331 12.462 4.967 1.00 1.25 C ATOM 958 CG LYS A 57 1.348 13.071 4.012 1.00 1.51 C ATOM 959 CD LYS A 57 2.628 12.258 3.917 1.00 1.62 C ATOM 960 CE LYS A 57 3.678 12.708 4.926 1.00 2.08 C ATOM 961 NZ LYS A 57 3.228 12.552 6.333 1.00 2.93 N ATOM 0 H LYS A 57 -1.023 12.507 2.881 1.00 0.99 H new ATOM 0 HA LYS A 57 0.350 10.419 4.298 1.00 1.02 H new ATOM 0 HB2 LYS A 57 -0.417 13.215 5.216 1.00 1.25 H new ATOM 0 HB3 LYS A 57 0.834 12.193 5.896 1.00 1.25 H new ATOM 0 HG2 LYS A 57 0.903 13.156 3.021 1.00 1.51 H new ATOM 0 HG3 LYS A 57 1.589 14.082 4.341 1.00 1.51 H new ATOM 0 HD2 LYS A 57 2.399 11.205 4.080 1.00 1.62 H new ATOM 0 HD3 LYS A 57 3.036 12.344 2.910 1.00 1.62 H new ATOM 0 HE2 LYS A 57 4.591 12.132 4.775 1.00 2.08 H new ATOM 0 HE3 LYS A 57 3.927 13.753 4.743 1.00 2.08 H new ATOM 0 HZ1 LYS A 57 4.047 12.626 6.970 1.00 2.93 H new ATOM 0 HZ2 LYS A 57 2.542 13.299 6.563 1.00 2.93 H new ATOM 0 HZ3 LYS A 57 2.779 11.622 6.453 1.00 2.93 H new ATOM 975 N LYS A 58 -2.658 11.353 5.213 1.00 0.69 N ATOM 976 CA LYS A 58 -3.787 11.048 6.086 1.00 0.65 C ATOM 977 C LYS A 58 -4.511 9.795 5.609 1.00 0.56 C ATOM 978 O LYS A 58 -5.262 9.173 6.364 1.00 0.63 O ATOM 979 CB LYS A 58 -4.758 12.225 6.111 1.00 0.73 C ATOM 980 CG LYS A 58 -4.127 13.531 6.559 1.00 0.94 C ATOM 981 CD LYS A 58 -5.050 14.700 6.278 1.00 1.24 C ATOM 982 CE LYS A 58 -4.384 16.027 6.585 1.00 1.55 C ATOM 983 NZ LYS A 58 -5.187 17.171 6.081 1.00 2.16 N ATOM 0 H LYS A 58 -2.862 12.040 4.487 1.00 0.69 H new ATOM 0 HA LYS A 58 -3.407 10.870 7.092 1.00 0.65 H new ATOM 0 HB2 LYS A 58 -5.178 12.359 5.114 1.00 0.73 H new ATOM 0 HB3 LYS A 58 -5.587 11.986 6.777 1.00 0.73 H new ATOM 0 HG2 LYS A 58 -3.905 13.486 7.625 1.00 0.94 H new ATOM 0 HG3 LYS A 58 -3.179 13.678 6.042 1.00 0.94 H new ATOM 0 HD2 LYS A 58 -5.355 14.679 5.232 1.00 1.24 H new ATOM 0 HD3 LYS A 58 -5.956 14.600 6.876 1.00 1.24 H new ATOM 0 HE2 LYS A 58 -4.246 16.125 7.662 1.00 1.55 H new ATOM 0 HE3 LYS A 58 -3.392 16.050 6.133 1.00 1.55 H new ATOM 0 HZ1 LYS A 58 -4.649 18.053 6.201 1.00 2.16 H new ATOM 0 HZ2 LYS A 58 -5.398 17.029 5.073 1.00 2.16 H new ATOM 0 HZ3 LYS A 58 -6.077 17.233 6.616 1.00 2.16 H new ATOM 997 N GLY A 59 -4.292 9.448 4.345 1.00 0.54 N ATOM 998 CA GLY A 59 -4.876 8.244 3.786 1.00 0.59 C ATOM 999 C GLY A 59 -4.397 7.004 4.509 1.00 0.54 C ATOM 1000 O GLY A 59 -3.265 6.964 4.994 1.00 0.58 O ATOM 0 H GLY A 59 -3.717 9.983 3.695 1.00 0.54 H new ATOM 0 HA2 GLY A 59 -5.963 8.304 3.847 1.00 0.59 H new ATOM 0 HA3 GLY A 59 -4.619 8.171 2.729 1.00 0.59 H new ATOM 1004 N ILE A 60 -5.238 5.986 4.565 1.00 0.49 N ATOM 1005 CA ILE A 60 -4.941 4.801 5.358 1.00 0.47 C ATOM 1006 C ILE A 60 -5.386 3.541 4.640 1.00 0.42 C ATOM 1007 O ILE A 60 -6.222 3.592 3.735 1.00 0.41 O ATOM 1008 CB ILE A 60 -5.640 4.844 6.732 1.00 0.51 C ATOM 1009 CG1 ILE A 60 -7.138 5.117 6.556 1.00 0.55 C ATOM 1010 CG2 ILE A 60 -4.995 5.889 7.631 1.00 0.60 C ATOM 1011 CD1 ILE A 60 -7.938 5.005 7.834 1.00 0.65 C ATOM 0 H ILE A 60 -6.131 5.954 4.073 1.00 0.49 H new ATOM 0 HA ILE A 60 -3.861 4.789 5.502 1.00 0.47 H new ATOM 0 HB ILE A 60 -5.524 3.873 7.214 1.00 0.51 H new ATOM 0 HG12 ILE A 60 -7.269 6.118 6.144 1.00 0.55 H new ATOM 0 HG13 ILE A 60 -7.541 4.416 5.825 1.00 0.55 H new ATOM 0 HG21 ILE A 60 -5.503 5.903 8.595 1.00 0.60 H new ATOM 0 HG22 ILE A 60 -3.943 5.643 7.778 1.00 0.60 H new ATOM 0 HG23 ILE A 60 -5.076 6.871 7.164 1.00 0.60 H new ATOM 0 HD11 ILE A 60 -8.988 5.212 7.626 1.00 0.65 H new ATOM 0 HD12 ILE A 60 -7.840 3.997 8.237 1.00 0.65 H new ATOM 0 HD13 ILE A 60 -7.564 5.725 8.562 1.00 0.65 H new ATOM 1023 N TRP A 61 -4.831 2.418 5.054 1.00 0.42 N ATOM 1024 CA TRP A 61 -5.260 1.130 4.549 1.00 0.40 C ATOM 1025 C TRP A 61 -6.153 0.452 5.569 1.00 0.40 C ATOM 1026 O TRP A 61 -5.757 0.229 6.712 1.00 0.48 O ATOM 1027 CB TRP A 61 -4.067 0.236 4.222 1.00 0.44 C ATOM 1028 CG TRP A 61 -3.327 0.660 2.995 1.00 0.43 C ATOM 1029 CD1 TRP A 61 -2.267 1.511 2.933 1.00 0.48 C ATOM 1030 CD2 TRP A 61 -3.593 0.252 1.649 1.00 0.41 C ATOM 1031 NE1 TRP A 61 -1.850 1.655 1.636 1.00 0.49 N ATOM 1032 CE2 TRP A 61 -2.649 0.893 0.827 1.00 0.45 C ATOM 1033 CE3 TRP A 61 -4.535 -0.595 1.062 1.00 0.41 C ATOM 1034 CZ2 TRP A 61 -2.620 0.713 -0.552 1.00 0.48 C ATOM 1035 CZ3 TRP A 61 -4.506 -0.771 -0.308 1.00 0.45 C ATOM 1036 CH2 TRP A 61 -3.553 -0.121 -1.100 1.00 0.48 C ATOM 0 H TRP A 61 -4.079 2.373 5.742 1.00 0.42 H new ATOM 0 HA TRP A 61 -5.818 1.294 3.627 1.00 0.40 H new ATOM 0 HB2 TRP A 61 -3.381 0.234 5.069 1.00 0.44 H new ATOM 0 HB3 TRP A 61 -4.415 -0.789 4.092 1.00 0.44 H new ATOM 0 HD1 TRP A 61 -1.819 2.002 3.784 1.00 0.48 H new ATOM 0 HE1 TRP A 61 -1.071 2.235 1.324 1.00 0.49 H new ATOM 0 HE3 TRP A 61 -5.272 -1.103 1.667 1.00 0.41 H new ATOM 0 HZ2 TRP A 61 -1.887 1.214 -1.167 1.00 0.48 H new ATOM 0 HZ3 TRP A 61 -5.231 -1.421 -0.775 1.00 0.45 H new ATOM 0 HH2 TRP A 61 -3.555 -0.282 -2.168 1.00 0.48 H new ATOM 1047 N LEU A 62 -7.359 0.148 5.148 1.00 0.36 N ATOM 1048 CA LEU A 62 -8.334 -0.500 5.995 1.00 0.37 C ATOM 1049 C LEU A 62 -7.993 -1.980 6.128 1.00 0.42 C ATOM 1050 O LEU A 62 -8.087 -2.729 5.156 1.00 0.43 O ATOM 1051 CB LEU A 62 -9.730 -0.326 5.384 1.00 0.33 C ATOM 1052 CG LEU A 62 -10.131 1.121 5.071 1.00 0.31 C ATOM 1053 CD1 LEU A 62 -11.351 1.159 4.171 1.00 0.29 C ATOM 1054 CD2 LEU A 62 -10.420 1.884 6.345 1.00 0.35 C ATOM 0 H LEU A 62 -7.693 0.344 4.204 1.00 0.36 H new ATOM 0 HA LEU A 62 -8.321 -0.048 6.987 1.00 0.37 H new ATOM 0 HB2 LEU A 62 -9.781 -0.907 4.463 1.00 0.33 H new ATOM 0 HB3 LEU A 62 -10.464 -0.749 6.069 1.00 0.33 H new ATOM 0 HG LEU A 62 -9.295 1.593 4.555 1.00 0.31 H new ATOM 0 HD11 LEU A 62 -11.617 2.195 3.962 1.00 0.29 H new ATOM 0 HD12 LEU A 62 -11.129 0.646 3.235 1.00 0.29 H new ATOM 0 HD13 LEU A 62 -12.185 0.663 4.668 1.00 0.29 H new ATOM 0 HD21 LEU A 62 -10.702 2.908 6.100 1.00 0.35 H new ATOM 0 HD22 LEU A 62 -11.237 1.401 6.881 1.00 0.35 H new ATOM 0 HD23 LEU A 62 -9.529 1.894 6.973 1.00 0.35 H new ATOM 1066 N GLU A 63 -7.575 -2.397 7.316 1.00 0.48 N ATOM 1067 CA GLU A 63 -7.233 -3.794 7.550 1.00 0.55 C ATOM 1068 C GLU A 63 -8.481 -4.606 7.888 1.00 0.52 C ATOM 1069 O GLU A 63 -9.504 -4.052 8.296 1.00 0.48 O ATOM 1070 CB GLU A 63 -6.204 -3.917 8.678 1.00 0.65 C ATOM 1071 CG GLU A 63 -6.713 -3.448 10.034 1.00 0.68 C ATOM 1072 CD GLU A 63 -5.694 -3.653 11.134 1.00 1.07 C ATOM 1073 OE1 GLU A 63 -5.624 -4.773 11.686 1.00 1.42 O ATOM 1074 OE2 GLU A 63 -4.955 -2.699 11.455 1.00 1.30 O ATOM 0 H GLU A 63 -7.465 -1.791 8.129 1.00 0.48 H new ATOM 0 HA GLU A 63 -6.796 -4.192 6.634 1.00 0.55 H new ATOM 0 HB2 GLU A 63 -5.891 -4.958 8.759 1.00 0.65 H new ATOM 0 HB3 GLU A 63 -5.319 -3.338 8.413 1.00 0.65 H new ATOM 0 HG2 GLU A 63 -6.973 -2.391 9.976 1.00 0.68 H new ATOM 0 HG3 GLU A 63 -7.626 -3.988 10.283 1.00 0.68 H new ATOM 1081 N ALA A 64 -8.393 -5.918 7.723 1.00 0.58 N ATOM 1082 CA ALA A 64 -9.523 -6.803 7.991 1.00 0.58 C ATOM 1083 C ALA A 64 -9.837 -6.868 9.483 1.00 0.60 C ATOM 1084 O ALA A 64 -10.895 -7.356 9.883 1.00 0.65 O ATOM 1085 CB ALA A 64 -9.239 -8.196 7.449 1.00 0.64 C ATOM 0 H ALA A 64 -7.550 -6.396 7.404 1.00 0.58 H new ATOM 0 HA ALA A 64 -10.397 -6.395 7.484 1.00 0.58 H new ATOM 0 HB1 ALA A 64 -10.089 -8.847 7.655 1.00 0.64 H new ATOM 0 HB2 ALA A 64 -9.076 -8.141 6.373 1.00 0.64 H new ATOM 0 HB3 ALA A 64 -8.348 -8.599 7.931 1.00 0.64 H new ATOM 1091 N GLY A 65 -8.926 -6.348 10.293 1.00 0.64 N ATOM 1092 CA GLY A 65 -9.078 -6.412 11.734 1.00 0.70 C ATOM 1093 C GLY A 65 -9.932 -5.296 12.312 1.00 0.70 C ATOM 1094 O GLY A 65 -9.886 -5.045 13.516 1.00 0.84 O ATOM 0 H GLY A 65 -8.078 -5.879 9.975 1.00 0.64 H new ATOM 0 HA2 GLY A 65 -9.522 -7.371 12.001 1.00 0.70 H new ATOM 0 HA3 GLY A 65 -8.091 -6.378 12.196 1.00 0.70 H new ATOM 1098 N LYS A 66 -10.697 -4.614 11.466 1.00 0.60 N ATOM 1099 CA LYS A 66 -11.654 -3.624 11.944 1.00 0.61 C ATOM 1100 C LYS A 66 -12.769 -3.440 10.918 1.00 0.54 C ATOM 1101 O LYS A 66 -12.606 -3.777 9.738 1.00 0.47 O ATOM 1102 CB LYS A 66 -10.970 -2.275 12.245 1.00 0.66 C ATOM 1103 CG LYS A 66 -11.015 -1.271 11.100 1.00 0.60 C ATOM 1104 CD LYS A 66 -10.126 -1.669 9.941 1.00 0.56 C ATOM 1105 CE LYS A 66 -10.564 -0.987 8.655 1.00 0.61 C ATOM 1106 NZ LYS A 66 -11.927 -1.407 8.248 1.00 1.29 N ATOM 0 H LYS A 66 -10.673 -4.728 10.453 1.00 0.60 H new ATOM 0 HA LYS A 66 -12.082 -3.990 12.877 1.00 0.61 H new ATOM 0 HB2 LYS A 66 -11.444 -1.830 13.120 1.00 0.66 H new ATOM 0 HB3 LYS A 66 -9.928 -2.461 12.507 1.00 0.66 H new ATOM 0 HG2 LYS A 66 -12.042 -1.173 10.748 1.00 0.60 H new ATOM 0 HG3 LYS A 66 -10.709 -0.292 11.468 1.00 0.60 H new ATOM 0 HD2 LYS A 66 -9.093 -1.403 10.163 1.00 0.56 H new ATOM 0 HD3 LYS A 66 -10.156 -2.751 9.811 1.00 0.56 H new ATOM 0 HE2 LYS A 66 -10.542 0.094 8.791 1.00 0.61 H new ATOM 0 HE3 LYS A 66 -9.858 -1.223 7.859 1.00 0.61 H new ATOM 0 HZ1 LYS A 66 -12.018 -1.336 7.214 1.00 1.29 H new ATOM 0 HZ2 LYS A 66 -12.090 -2.391 8.543 1.00 1.29 H new ATOM 0 HZ3 LYS A 66 -12.630 -0.789 8.701 1.00 1.29 H new ATOM 1120 N ALA A 67 -13.888 -2.888 11.357 1.00 0.57 N ATOM 1121 CA ALA A 67 -15.025 -2.672 10.485 1.00 0.52 C ATOM 1122 C ALA A 67 -14.866 -1.349 9.748 1.00 0.47 C ATOM 1123 O ALA A 67 -13.894 -0.627 9.974 1.00 0.47 O ATOM 1124 CB ALA A 67 -16.306 -2.712 11.296 1.00 0.59 C ATOM 0 H ALA A 67 -14.031 -2.580 12.319 1.00 0.57 H new ATOM 0 HA ALA A 67 -15.076 -3.465 9.739 1.00 0.52 H new ATOM 0 HB1 ALA A 67 -17.159 -2.549 10.637 1.00 0.59 H new ATOM 0 HB2 ALA A 67 -16.401 -3.685 11.779 1.00 0.59 H new ATOM 0 HB3 ALA A 67 -16.280 -1.931 12.056 1.00 0.59 H new ATOM 1130 N LEU A 68 -15.783 -1.032 8.852 1.00 0.45 N ATOM 1131 CA LEU A 68 -15.642 0.176 8.047 1.00 0.40 C ATOM 1132 C LEU A 68 -16.105 1.404 8.824 1.00 0.43 C ATOM 1133 O LEU A 68 -15.320 2.319 9.073 1.00 0.44 O ATOM 1134 CB LEU A 68 -16.416 0.056 6.739 1.00 0.37 C ATOM 1135 CG LEU A 68 -16.102 -1.184 5.903 1.00 0.36 C ATOM 1136 CD1 LEU A 68 -16.958 -1.213 4.649 1.00 0.36 C ATOM 1137 CD2 LEU A 68 -14.629 -1.214 5.540 1.00 0.37 C ATOM 0 H LEU A 68 -16.621 -1.581 8.662 1.00 0.45 H new ATOM 0 HA LEU A 68 -14.585 0.295 7.810 1.00 0.40 H new ATOM 0 HB2 LEU A 68 -17.482 0.060 6.966 1.00 0.37 H new ATOM 0 HB3 LEU A 68 -16.215 0.941 6.135 1.00 0.37 H new ATOM 0 HG LEU A 68 -16.333 -2.069 6.496 1.00 0.36 H new ATOM 0 HD11 LEU A 68 -16.720 -2.103 4.067 1.00 0.36 H new ATOM 0 HD12 LEU A 68 -18.012 -1.233 4.928 1.00 0.36 H new ATOM 0 HD13 LEU A 68 -16.758 -0.324 4.051 1.00 0.36 H new ATOM 0 HD21 LEU A 68 -14.419 -2.102 4.945 1.00 0.37 H new ATOM 0 HD22 LEU A 68 -14.378 -0.323 4.964 1.00 0.37 H new ATOM 0 HD23 LEU A 68 -14.030 -1.238 6.451 1.00 0.37 H new ATOM 1149 N ASP A 69 -17.372 1.397 9.229 1.00 0.47 N ATOM 1150 CA ASP A 69 -17.975 2.514 9.968 1.00 0.52 C ATOM 1151 C ASP A 69 -17.336 2.673 11.347 1.00 0.58 C ATOM 1152 O ASP A 69 -17.566 3.659 12.048 1.00 0.65 O ATOM 1153 CB ASP A 69 -19.490 2.310 10.087 1.00 0.58 C ATOM 1154 CG ASP A 69 -20.169 3.281 11.035 1.00 0.86 C ATOM 1155 OD1 ASP A 69 -20.165 4.499 10.764 1.00 1.14 O ATOM 1156 OD2 ASP A 69 -20.718 2.821 12.061 1.00 1.16 O ATOM 0 H ASP A 69 -18.012 0.622 9.057 1.00 0.47 H new ATOM 0 HA ASP A 69 -17.789 3.433 9.413 1.00 0.52 H new ATOM 0 HB2 ASP A 69 -19.939 2.409 9.099 1.00 0.58 H new ATOM 0 HB3 ASP A 69 -19.684 1.292 10.425 1.00 0.58 H new ATOM 1161 N TYR A 70 -16.531 1.692 11.732 1.00 0.59 N ATOM 1162 CA TYR A 70 -15.687 1.819 12.906 1.00 0.65 C ATOM 1163 C TYR A 70 -14.797 3.054 12.751 1.00 0.62 C ATOM 1164 O TYR A 70 -14.502 3.758 13.720 1.00 0.67 O ATOM 1165 CB TYR A 70 -14.856 0.537 13.094 1.00 0.69 C ATOM 1166 CG TYR A 70 -13.573 0.739 13.865 1.00 0.81 C ATOM 1167 CD1 TYR A 70 -13.557 0.740 15.252 1.00 1.02 C ATOM 1168 CD2 TYR A 70 -12.377 0.936 13.194 1.00 0.84 C ATOM 1169 CE1 TYR A 70 -12.379 0.933 15.948 1.00 1.21 C ATOM 1170 CE2 TYR A 70 -11.197 1.131 13.880 1.00 1.05 C ATOM 1171 CZ TYR A 70 -11.202 1.129 15.256 1.00 1.22 C ATOM 1172 OH TYR A 70 -10.024 1.325 15.942 1.00 1.45 O ATOM 0 H TYR A 70 -16.447 0.799 11.246 1.00 0.59 H new ATOM 0 HA TYR A 70 -16.299 1.947 13.799 1.00 0.65 H new ATOM 0 HB2 TYR A 70 -15.465 -0.205 13.611 1.00 0.69 H new ATOM 0 HB3 TYR A 70 -14.617 0.125 12.114 1.00 0.69 H new ATOM 0 HD1 TYR A 70 -14.478 0.588 15.795 1.00 1.02 H new ATOM 0 HD2 TYR A 70 -12.369 0.937 12.114 1.00 0.84 H new ATOM 0 HE1 TYR A 70 -12.380 0.930 17.028 1.00 1.21 H new ATOM 0 HE2 TYR A 70 -10.274 1.284 13.340 1.00 1.05 H new ATOM 0 HH TYR A 70 -9.290 1.446 15.304 1.00 1.45 H new ATOM 1182 N TYR A 71 -14.374 3.306 11.519 1.00 0.57 N ATOM 1183 CA TYR A 71 -13.657 4.516 11.171 1.00 0.58 C ATOM 1184 C TYR A 71 -14.624 5.685 10.965 1.00 0.60 C ATOM 1185 O TYR A 71 -15.787 5.610 11.344 1.00 0.69 O ATOM 1186 CB TYR A 71 -12.813 4.261 9.926 1.00 0.56 C ATOM 1187 CG TYR A 71 -11.439 3.733 10.253 1.00 0.56 C ATOM 1188 CD1 TYR A 71 -10.433 4.589 10.685 1.00 0.58 C ATOM 1189 CD2 TYR A 71 -11.150 2.382 10.143 1.00 0.62 C ATOM 1190 CE1 TYR A 71 -9.175 4.110 10.996 1.00 0.63 C ATOM 1191 CE2 TYR A 71 -9.894 1.899 10.453 1.00 0.66 C ATOM 1192 CZ TYR A 71 -8.913 2.763 10.880 1.00 0.65 C ATOM 1193 OH TYR A 71 -7.665 2.275 11.188 1.00 0.72 O ATOM 0 H TYR A 71 -14.521 2.672 10.734 1.00 0.57 H new ATOM 0 HA TYR A 71 -12.995 4.792 11.992 1.00 0.58 H new ATOM 0 HB2 TYR A 71 -13.328 3.548 9.283 1.00 0.56 H new ATOM 0 HB3 TYR A 71 -12.717 5.188 9.361 1.00 0.56 H new ATOM 0 HD1 TYR A 71 -10.638 5.645 10.779 1.00 0.58 H new ATOM 0 HD2 TYR A 71 -11.917 1.698 9.811 1.00 0.62 H new ATOM 0 HE1 TYR A 71 -8.402 4.787 11.328 1.00 0.63 H new ATOM 0 HE2 TYR A 71 -9.682 0.844 10.360 1.00 0.66 H new ATOM 0 HH TYR A 71 -7.651 1.305 11.053 1.00 0.72 H new ATOM 1203 N MET A 72 -14.146 6.759 10.355 1.00 0.60 N ATOM 1204 CA MET A 72 -14.957 7.958 10.178 1.00 0.69 C ATOM 1205 C MET A 72 -15.602 7.996 8.796 1.00 0.63 C ATOM 1206 O MET A 72 -16.041 9.049 8.338 1.00 0.75 O ATOM 1207 CB MET A 72 -14.097 9.206 10.384 1.00 0.83 C ATOM 1208 CG MET A 72 -13.564 9.354 11.797 1.00 1.02 C ATOM 1209 SD MET A 72 -12.495 10.793 11.993 1.00 1.73 S ATOM 1210 CE MET A 72 -11.129 10.352 10.917 1.00 2.38 C ATOM 0 H MET A 72 -13.202 6.827 9.974 1.00 0.60 H new ATOM 0 HA MET A 72 -15.753 7.937 10.922 1.00 0.69 H new ATOM 0 HB2 MET A 72 -13.257 9.176 9.690 1.00 0.83 H new ATOM 0 HB3 MET A 72 -14.687 10.088 10.133 1.00 0.83 H new ATOM 0 HG2 MET A 72 -14.402 9.432 12.490 1.00 1.02 H new ATOM 0 HG3 MET A 72 -13.009 8.455 12.067 1.00 1.02 H new ATOM 0 HE1 MET A 72 -10.249 10.936 11.187 1.00 2.38 H new ATOM 0 HE2 MET A 72 -10.907 9.290 11.027 1.00 2.38 H new ATOM 0 HE3 MET A 72 -11.399 10.561 9.882 1.00 2.38 H new ATOM 1220 N LEU A 73 -15.669 6.847 8.133 1.00 0.56 N ATOM 1221 CA LEU A 73 -16.275 6.778 6.812 1.00 0.54 C ATOM 1222 C LEU A 73 -17.726 6.358 6.912 1.00 0.50 C ATOM 1223 O LEU A 73 -18.106 5.561 7.772 1.00 0.60 O ATOM 1224 CB LEU A 73 -15.481 5.847 5.879 1.00 0.71 C ATOM 1225 CG LEU A 73 -15.207 4.424 6.389 1.00 0.43 C ATOM 1226 CD1 LEU A 73 -16.439 3.551 6.301 1.00 0.88 C ATOM 1227 CD2 LEU A 73 -14.090 3.788 5.597 1.00 0.88 C ATOM 0 H LEU A 73 -15.314 5.958 8.486 1.00 0.56 H new ATOM 0 HA LEU A 73 -16.244 7.775 6.373 1.00 0.54 H new ATOM 0 HB2 LEU A 73 -16.021 5.771 4.935 1.00 0.71 H new ATOM 0 HB3 LEU A 73 -14.523 6.320 5.662 1.00 0.71 H new ATOM 0 HG LEU A 73 -14.917 4.507 7.437 1.00 0.43 H new ATOM 0 HD11 LEU A 73 -16.205 2.553 6.671 1.00 0.88 H new ATOM 0 HD12 LEU A 73 -17.236 3.984 6.906 1.00 0.88 H new ATOM 0 HD13 LEU A 73 -16.766 3.486 5.263 1.00 0.88 H new ATOM 0 HD21 LEU A 73 -13.908 2.780 5.970 1.00 0.88 H new ATOM 0 HD22 LEU A 73 -14.371 3.740 4.545 1.00 0.88 H new ATOM 0 HD23 LEU A 73 -13.184 4.384 5.703 1.00 0.88 H new ATOM 1239 N ARG A 74 -18.530 6.928 6.038 1.00 0.48 N ATOM 1240 CA ARG A 74 -19.973 6.728 6.054 1.00 0.52 C ATOM 1241 C ARG A 74 -20.533 6.925 4.652 1.00 0.46 C ATOM 1242 O ARG A 74 -19.809 6.837 3.661 1.00 0.45 O ATOM 1243 CB ARG A 74 -20.653 7.728 7.000 1.00 0.65 C ATOM 1244 CG ARG A 74 -20.079 7.782 8.396 1.00 1.17 C ATOM 1245 CD ARG A 74 -20.344 9.130 9.029 1.00 1.64 C ATOM 1246 NE ARG A 74 -19.697 10.223 8.296 1.00 2.05 N ATOM 1247 CZ ARG A 74 -19.385 11.402 8.831 1.00 2.72 C ATOM 1248 NH1 ARG A 74 -19.651 11.652 10.109 1.00 2.96 N ATOM 1249 NH2 ARG A 74 -18.805 12.334 8.082 1.00 3.29 N ATOM 0 H ARG A 74 -18.205 7.545 5.293 1.00 0.48 H new ATOM 0 HA ARG A 74 -20.171 5.714 6.403 1.00 0.52 H new ATOM 0 HB2 ARG A 74 -20.589 8.723 6.559 1.00 0.65 H new ATOM 0 HB3 ARG A 74 -21.712 7.477 7.069 1.00 0.65 H new ATOM 0 HG2 ARG A 74 -20.520 6.994 9.007 1.00 1.17 H new ATOM 0 HG3 ARG A 74 -19.006 7.595 8.361 1.00 1.17 H new ATOM 0 HD2 ARG A 74 -21.419 9.307 9.067 1.00 1.64 H new ATOM 0 HD3 ARG A 74 -19.986 9.123 10.058 1.00 1.64 H new ATOM 0 HE ARG A 74 -19.471 10.070 7.313 1.00 2.05 H new ATOM 0 HH11 ARG A 74 -20.097 10.939 10.686 1.00 2.96 H new ATOM 0 HH12 ARG A 74 -19.409 12.557 10.513 1.00 2.96 H new ATOM 0 HH21 ARG A 74 -18.600 12.145 7.101 1.00 3.29 H new ATOM 0 HH22 ARG A 74 -18.565 13.238 8.488 1.00 3.29 H new ATOM 1263 N ASN A 75 -21.821 7.216 4.588 1.00 0.49 N ATOM 1264 CA ASN A 75 -22.502 7.461 3.321 1.00 0.47 C ATOM 1265 C ASN A 75 -21.945 8.697 2.634 1.00 0.48 C ATOM 1266 O ASN A 75 -22.080 9.811 3.140 1.00 0.56 O ATOM 1267 CB ASN A 75 -24.008 7.639 3.537 1.00 0.52 C ATOM 1268 CG ASN A 75 -24.776 6.339 3.440 1.00 0.52 C ATOM 1269 OD1 ASN A 75 -25.240 5.966 2.368 1.00 0.72 O ATOM 1270 ND2 ASN A 75 -24.919 5.640 4.550 1.00 0.51 N ATOM 0 H ASN A 75 -22.425 7.290 5.407 1.00 0.49 H new ATOM 0 HA ASN A 75 -22.331 6.592 2.685 1.00 0.47 H new ATOM 0 HB2 ASN A 75 -24.179 8.083 4.517 1.00 0.52 H new ATOM 0 HB3 ASN A 75 -24.395 8.340 2.797 1.00 0.52 H new ATOM 0 HD21 ASN A 75 -25.430 4.757 4.535 1.00 0.51 H new ATOM 0 HD22 ASN A 75 -24.519 5.982 5.423 1.00 0.51 H new ATOM 1277 N GLY A 76 -21.311 8.494 1.492 1.00 0.45 N ATOM 1278 CA GLY A 76 -20.806 9.613 0.724 1.00 0.51 C ATOM 1279 C GLY A 76 -19.295 9.643 0.658 1.00 0.47 C ATOM 1280 O GLY A 76 -18.717 10.415 -0.111 1.00 0.55 O ATOM 0 H GLY A 76 -21.136 7.576 1.082 1.00 0.45 H new ATOM 0 HA2 GLY A 76 -21.209 9.565 -0.288 1.00 0.51 H new ATOM 0 HA3 GLY A 76 -21.165 10.543 1.166 1.00 0.51 H new ATOM 1284 N ASP A 77 -18.651 8.807 1.458 1.00 0.42 N ATOM 1285 CA ASP A 77 -17.197 8.748 1.473 1.00 0.42 C ATOM 1286 C ASP A 77 -16.673 7.927 0.313 1.00 0.38 C ATOM 1287 O ASP A 77 -17.311 6.971 -0.133 1.00 0.40 O ATOM 1288 CB ASP A 77 -16.674 8.170 2.787 1.00 0.44 C ATOM 1289 CG ASP A 77 -16.675 9.187 3.904 1.00 0.74 C ATOM 1290 OD1 ASP A 77 -15.796 10.067 3.913 1.00 1.05 O ATOM 1291 OD2 ASP A 77 -17.560 9.108 4.784 1.00 1.00 O ATOM 0 H ASP A 77 -19.109 8.163 2.103 1.00 0.42 H new ATOM 0 HA ASP A 77 -16.835 9.772 1.375 1.00 0.42 H new ATOM 0 HB2 ASP A 77 -17.288 7.317 3.075 1.00 0.44 H new ATOM 0 HB3 ASP A 77 -15.660 7.798 2.639 1.00 0.44 H new ATOM 1296 N THR A 78 -15.515 8.315 -0.187 1.00 0.36 N ATOM 1297 CA THR A 78 -14.867 7.590 -1.255 1.00 0.35 C ATOM 1298 C THR A 78 -13.881 6.584 -0.671 1.00 0.31 C ATOM 1299 O THR A 78 -12.989 6.946 0.097 1.00 0.34 O ATOM 1300 CB THR A 78 -14.133 8.566 -2.196 1.00 0.42 C ATOM 1301 OG1 THR A 78 -15.021 9.632 -2.556 1.00 0.50 O ATOM 1302 CG2 THR A 78 -13.650 7.866 -3.455 1.00 0.42 C ATOM 0 H THR A 78 -15.003 9.136 0.135 1.00 0.36 H new ATOM 0 HA THR A 78 -15.624 7.056 -1.830 1.00 0.35 H new ATOM 0 HB THR A 78 -13.262 8.958 -1.670 1.00 0.42 H new ATOM 0 HG1 THR A 78 -14.558 10.256 -3.153 1.00 0.50 H new ATOM 0 HG21 THR A 78 -13.137 8.583 -4.096 1.00 0.42 H new ATOM 0 HG22 THR A 78 -12.963 7.064 -3.185 1.00 0.42 H new ATOM 0 HG23 THR A 78 -14.503 7.448 -3.989 1.00 0.42 H new ATOM 1310 N MET A 79 -14.045 5.324 -1.032 1.00 0.27 N ATOM 1311 CA MET A 79 -13.181 4.278 -0.528 1.00 0.27 C ATOM 1312 C MET A 79 -12.499 3.606 -1.702 1.00 0.28 C ATOM 1313 O MET A 79 -13.144 2.952 -2.519 1.00 0.27 O ATOM 1314 CB MET A 79 -13.969 3.254 0.285 1.00 0.23 C ATOM 1315 CG MET A 79 -13.083 2.384 1.163 1.00 0.27 C ATOM 1316 SD MET A 79 -13.997 1.100 2.039 1.00 0.65 S ATOM 1317 CE MET A 79 -14.408 0.002 0.690 1.00 0.24 C ATOM 0 H MET A 79 -14.770 5.003 -1.673 1.00 0.27 H new ATOM 0 HA MET A 79 -12.436 4.718 0.135 1.00 0.27 H new ATOM 0 HB2 MET A 79 -14.693 3.775 0.912 1.00 0.23 H new ATOM 0 HB3 MET A 79 -14.536 2.617 -0.394 1.00 0.23 H new ATOM 0 HG2 MET A 79 -12.315 1.918 0.545 1.00 0.27 H new ATOM 0 HG3 MET A 79 -12.569 3.015 1.888 1.00 0.27 H new ATOM 0 HE1 MET A 79 -14.422 -1.027 1.050 1.00 0.24 H new ATOM 0 HE2 MET A 79 -15.390 0.262 0.295 1.00 0.24 H new ATOM 0 HE3 MET A 79 -13.662 0.100 -0.099 1.00 0.24 H new ATOM 1327 N GLU A 80 -11.205 3.785 -1.791 1.00 0.32 N ATOM 1328 CA GLU A 80 -10.455 3.318 -2.933 1.00 0.35 C ATOM 1329 C GLU A 80 -10.132 1.836 -2.775 1.00 0.33 C ATOM 1330 O GLU A 80 -9.547 1.424 -1.773 1.00 0.33 O ATOM 1331 CB GLU A 80 -9.172 4.147 -3.037 1.00 0.40 C ATOM 1332 CG GLU A 80 -8.613 4.278 -4.440 1.00 0.53 C ATOM 1333 CD GLU A 80 -7.494 5.297 -4.514 1.00 0.69 C ATOM 1334 OE1 GLU A 80 -7.778 6.504 -4.401 1.00 1.04 O ATOM 1335 OE2 GLU A 80 -6.324 4.894 -4.673 1.00 1.04 O ATOM 0 H GLU A 80 -10.644 4.255 -1.080 1.00 0.32 H new ATOM 0 HA GLU A 80 -11.040 3.436 -3.845 1.00 0.35 H new ATOM 0 HB2 GLU A 80 -9.368 5.145 -2.644 1.00 0.40 H new ATOM 0 HB3 GLU A 80 -8.412 3.696 -2.399 1.00 0.40 H new ATOM 0 HG2 GLU A 80 -8.243 3.309 -4.774 1.00 0.53 H new ATOM 0 HG3 GLU A 80 -9.412 4.567 -5.123 1.00 0.53 H new ATOM 1342 N TYR A 81 -10.503 1.029 -3.757 1.00 0.33 N ATOM 1343 CA TYR A 81 -10.131 -0.370 -3.759 1.00 0.33 C ATOM 1344 C TYR A 81 -8.958 -0.523 -4.693 1.00 0.36 C ATOM 1345 O TYR A 81 -9.111 -0.491 -5.913 1.00 0.39 O ATOM 1346 CB TYR A 81 -11.295 -1.260 -4.214 1.00 0.33 C ATOM 1347 CG TYR A 81 -11.015 -2.753 -4.141 1.00 0.33 C ATOM 1348 CD1 TYR A 81 -10.425 -3.430 -5.204 1.00 0.37 C ATOM 1349 CD2 TYR A 81 -11.357 -3.488 -3.013 1.00 0.34 C ATOM 1350 CE1 TYR A 81 -10.187 -4.791 -5.141 1.00 0.39 C ATOM 1351 CE2 TYR A 81 -11.120 -4.848 -2.941 1.00 0.36 C ATOM 1352 CZ TYR A 81 -10.536 -5.493 -4.008 1.00 0.38 C ATOM 1353 OH TYR A 81 -10.302 -6.847 -3.943 1.00 0.42 O ATOM 0 H TYR A 81 -11.060 1.322 -4.560 1.00 0.33 H new ATOM 0 HA TYR A 81 -9.869 -0.685 -2.749 1.00 0.33 H new ATOM 0 HB2 TYR A 81 -12.168 -1.037 -3.600 1.00 0.33 H new ATOM 0 HB3 TYR A 81 -11.553 -1.002 -5.241 1.00 0.33 H new ATOM 0 HD1 TYR A 81 -10.148 -2.883 -6.093 1.00 0.37 H new ATOM 0 HD2 TYR A 81 -11.818 -2.986 -2.175 1.00 0.34 H new ATOM 0 HE1 TYR A 81 -9.730 -5.301 -5.976 1.00 0.39 H new ATOM 0 HE2 TYR A 81 -11.391 -5.401 -2.054 1.00 0.36 H new ATOM 0 HH TYR A 81 -10.590 -7.187 -3.070 1.00 0.42 H new ATOM 1363 N ARG A 82 -7.791 -0.649 -4.122 1.00 0.37 N ATOM 1364 CA ARG A 82 -6.585 -0.619 -4.917 1.00 0.39 C ATOM 1365 C ARG A 82 -5.637 -1.723 -4.511 1.00 0.40 C ATOM 1366 O ARG A 82 -5.778 -2.325 -3.441 1.00 0.42 O ATOM 1367 CB ARG A 82 -5.901 0.749 -4.827 1.00 0.42 C ATOM 1368 CG ARG A 82 -5.586 1.198 -3.413 1.00 0.44 C ATOM 1369 CD ARG A 82 -4.893 2.552 -3.405 1.00 0.56 C ATOM 1370 NE ARG A 82 -3.608 2.522 -4.109 1.00 0.65 N ATOM 1371 CZ ARG A 82 -3.027 3.596 -4.651 1.00 0.88 C ATOM 1372 NH1 ARG A 82 -3.656 4.767 -4.666 1.00 1.08 N ATOM 1373 NH2 ARG A 82 -1.833 3.482 -5.216 1.00 1.03 N ATOM 0 H ARG A 82 -7.645 -0.772 -3.120 1.00 0.37 H new ATOM 0 HA ARG A 82 -6.868 -0.786 -5.956 1.00 0.39 H new ATOM 0 HB2 ARG A 82 -4.975 0.717 -5.400 1.00 0.42 H new ATOM 0 HB3 ARG A 82 -6.542 1.494 -5.298 1.00 0.42 H new ATOM 0 HG2 ARG A 82 -6.507 1.255 -2.833 1.00 0.44 H new ATOM 0 HG3 ARG A 82 -4.949 0.458 -2.927 1.00 0.44 H new ATOM 0 HD2 ARG A 82 -5.543 3.293 -3.870 1.00 0.56 H new ATOM 0 HD3 ARG A 82 -4.733 2.870 -2.375 1.00 0.56 H new ATOM 0 HE ARG A 82 -3.128 1.626 -4.190 1.00 0.65 H new ATOM 0 HH11 ARG A 82 -4.589 4.850 -4.262 1.00 1.08 H new ATOM 0 HH12 ARG A 82 -3.206 5.582 -5.082 1.00 1.08 H new ATOM 0 HH21 ARG A 82 -1.362 2.577 -5.235 1.00 1.03 H new ATOM 0 HH22 ARG A 82 -1.385 4.299 -5.631 1.00 1.03 H new ATOM 1387 N LYS A 83 -4.687 -1.992 -5.382 1.00 0.43 N ATOM 1388 CA LYS A 83 -3.657 -2.966 -5.113 1.00 0.45 C ATOM 1389 C LYS A 83 -2.882 -2.556 -3.866 1.00 0.42 C ATOM 1390 O LYS A 83 -2.445 -1.408 -3.756 1.00 0.42 O ATOM 1391 CB LYS A 83 -2.728 -3.067 -6.325 1.00 0.53 C ATOM 1392 CG LYS A 83 -1.768 -4.242 -6.285 1.00 0.60 C ATOM 1393 CD LYS A 83 -1.000 -4.357 -7.589 1.00 0.70 C ATOM 1394 CE LYS A 83 -0.102 -5.581 -7.610 1.00 1.25 C ATOM 1395 NZ LYS A 83 -0.888 -6.842 -7.624 1.00 1.74 N ATOM 0 H LYS A 83 -4.609 -1.541 -6.294 1.00 0.43 H new ATOM 0 HA LYS A 83 -4.104 -3.944 -4.934 1.00 0.45 H new ATOM 0 HB2 LYS A 83 -3.335 -3.140 -7.227 1.00 0.53 H new ATOM 0 HB3 LYS A 83 -2.151 -2.145 -6.403 1.00 0.53 H new ATOM 0 HG2 LYS A 83 -1.070 -4.119 -5.457 1.00 0.60 H new ATOM 0 HG3 LYS A 83 -2.321 -5.163 -6.101 1.00 0.60 H new ATOM 0 HD2 LYS A 83 -1.702 -4.408 -8.421 1.00 0.70 H new ATOM 0 HD3 LYS A 83 -0.397 -3.461 -7.735 1.00 0.70 H new ATOM 0 HE2 LYS A 83 0.542 -5.544 -8.489 1.00 1.25 H new ATOM 0 HE3 LYS A 83 0.550 -5.569 -6.736 1.00 1.25 H new ATOM 0 HZ1 LYS A 83 -0.603 -7.438 -6.821 1.00 1.74 H new ATOM 0 HZ2 LYS A 83 -1.901 -6.620 -7.548 1.00 1.74 H new ATOM 0 HZ3 LYS A 83 -0.711 -7.352 -8.513 1.00 1.74 H new ATOM 1409 N LYS A 84 -2.739 -3.491 -2.929 1.00 0.44 N ATOM 1410 CA LYS A 84 -1.999 -3.250 -1.690 1.00 0.46 C ATOM 1411 C LYS A 84 -0.620 -2.693 -1.995 1.00 0.46 C ATOM 1412 O LYS A 84 -0.083 -1.878 -1.249 1.00 0.52 O ATOM 1413 CB LYS A 84 -1.843 -4.550 -0.891 1.00 0.54 C ATOM 1414 CG LYS A 84 -3.047 -4.929 -0.043 1.00 0.55 C ATOM 1415 CD LYS A 84 -3.255 -3.944 1.097 1.00 0.66 C ATOM 1416 CE LYS A 84 -4.180 -4.505 2.170 1.00 0.67 C ATOM 1417 NZ LYS A 84 -3.553 -5.621 2.926 1.00 1.32 N ATOM 0 H LYS A 84 -3.129 -4.430 -3.005 1.00 0.44 H new ATOM 0 HA LYS A 84 -2.563 -2.528 -1.100 1.00 0.46 H new ATOM 0 HB2 LYS A 84 -1.636 -5.364 -1.586 1.00 0.54 H new ATOM 0 HB3 LYS A 84 -0.973 -4.457 -0.240 1.00 0.54 H new ATOM 0 HG2 LYS A 84 -3.939 -4.958 -0.668 1.00 0.55 H new ATOM 0 HG3 LYS A 84 -2.908 -5.932 0.361 1.00 0.55 H new ATOM 0 HD2 LYS A 84 -2.292 -3.695 1.542 1.00 0.66 H new ATOM 0 HD3 LYS A 84 -3.674 -3.017 0.705 1.00 0.66 H new ATOM 0 HE2 LYS A 84 -4.455 -3.709 2.862 1.00 0.67 H new ATOM 0 HE3 LYS A 84 -5.101 -4.856 1.705 1.00 0.67 H new ATOM 0 HZ1 LYS A 84 -4.087 -5.790 3.802 1.00 1.32 H new ATOM 0 HZ2 LYS A 84 -3.561 -6.483 2.343 1.00 1.32 H new ATOM 0 HZ3 LYS A 84 -2.571 -5.372 3.162 1.00 1.32 H new ATOM 1431 N GLN A 85 -0.073 -3.133 -3.112 1.00 0.44 N ATOM 1432 CA GLN A 85 1.280 -2.800 -3.496 1.00 0.47 C ATOM 1433 C GLN A 85 1.313 -1.649 -4.478 1.00 0.52 C ATOM 1434 O GLN A 85 0.354 -1.404 -5.209 1.00 0.83 O ATOM 1435 CB GLN A 85 1.957 -4.016 -4.123 1.00 0.53 C ATOM 1436 CG GLN A 85 1.120 -5.276 -4.059 1.00 0.50 C ATOM 1437 CD GLN A 85 1.950 -6.524 -4.206 1.00 0.64 C ATOM 1438 OE1 GLN A 85 2.187 -7.006 -5.314 1.00 1.10 O ATOM 1439 NE2 GLN A 85 2.384 -7.058 -3.082 1.00 0.72 N ATOM 0 H GLN A 85 -0.558 -3.733 -3.779 1.00 0.44 H new ATOM 0 HA GLN A 85 1.814 -2.498 -2.595 1.00 0.47 H new ATOM 0 HB2 GLN A 85 2.188 -3.796 -5.165 1.00 0.53 H new ATOM 0 HB3 GLN A 85 2.906 -4.194 -3.617 1.00 0.53 H new ATOM 0 HG2 GLN A 85 0.587 -5.307 -3.109 1.00 0.50 H new ATOM 0 HG3 GLN A 85 0.367 -5.249 -4.846 1.00 0.50 H new ATOM 0 HE21 GLN A 85 2.160 -6.619 -2.189 1.00 0.72 H new ATOM 0 HE22 GLN A 85 2.944 -7.910 -3.105 1.00 0.72 H new ATOM 1448 N ARG A 86 2.432 -0.956 -4.478 1.00 0.50 N ATOM 1449 CA ARG A 86 2.682 0.131 -5.404 1.00 0.52 C ATOM 1450 C ARG A 86 4.038 -0.065 -6.079 1.00 0.50 C ATOM 1451 O ARG A 86 4.938 -0.670 -5.491 1.00 0.53 O ATOM 1452 CB ARG A 86 2.597 1.474 -4.666 1.00 0.67 C ATOM 1453 CG ARG A 86 2.889 1.382 -3.171 1.00 0.85 C ATOM 1454 CD ARG A 86 4.381 1.363 -2.868 1.00 0.98 C ATOM 1455 NE ARG A 86 5.002 2.657 -3.142 1.00 1.13 N ATOM 1456 CZ ARG A 86 4.946 3.698 -2.307 1.00 1.24 C ATOM 1457 NH1 ARG A 86 4.366 3.571 -1.124 1.00 1.62 N ATOM 1458 NH2 ARG A 86 5.472 4.864 -2.651 1.00 1.85 N ATOM 0 H ARG A 86 3.200 -1.132 -3.831 1.00 0.50 H new ATOM 0 HA ARG A 86 1.922 0.135 -6.185 1.00 0.52 H new ATOM 0 HB2 ARG A 86 3.301 2.172 -5.121 1.00 0.67 H new ATOM 0 HB3 ARG A 86 1.600 1.891 -4.806 1.00 0.67 H new ATOM 0 HG2 ARG A 86 2.429 2.229 -2.662 1.00 0.85 H new ATOM 0 HG3 ARG A 86 2.428 0.480 -2.769 1.00 0.85 H new ATOM 0 HD2 ARG A 86 4.537 1.098 -1.822 1.00 0.98 H new ATOM 0 HD3 ARG A 86 4.865 0.592 -3.468 1.00 0.98 H new ATOM 0 HE ARG A 86 5.507 2.772 -4.021 1.00 1.13 H new ATOM 0 HH11 ARG A 86 3.961 2.677 -0.848 1.00 1.62 H new ATOM 0 HH12 ARG A 86 4.325 4.368 -0.488 1.00 1.62 H new ATOM 0 HH21 ARG A 86 5.924 4.972 -3.559 1.00 1.85 H new ATOM 0 HH22 ARG A 86 5.425 5.654 -2.008 1.00 1.85 H new ATOM 1472 N PRO A 87 4.193 0.416 -7.326 1.00 0.52 N ATOM 1473 CA PRO A 87 5.405 0.188 -8.125 1.00 0.52 C ATOM 1474 C PRO A 87 6.637 0.859 -7.525 1.00 0.53 C ATOM 1475 O PRO A 87 6.798 2.074 -7.592 1.00 0.62 O ATOM 1476 CB PRO A 87 5.074 0.801 -9.494 1.00 0.57 C ATOM 1477 CG PRO A 87 3.595 1.005 -9.493 1.00 0.86 C ATOM 1478 CD PRO A 87 3.204 1.219 -8.061 1.00 0.60 C ATOM 0 HA PRO A 87 5.653 -0.872 -8.174 1.00 0.52 H new ATOM 0 HB2 PRO A 87 5.600 1.745 -9.639 1.00 0.57 H new ATOM 0 HB3 PRO A 87 5.378 0.139 -10.304 1.00 0.57 H new ATOM 0 HG2 PRO A 87 3.320 1.864 -10.104 1.00 0.86 H new ATOM 0 HG3 PRO A 87 3.082 0.139 -9.911 1.00 0.86 H new ATOM 0 HD2 PRO A 87 3.251 2.272 -7.782 1.00 0.60 H new ATOM 0 HD3 PRO A 87 2.186 0.883 -7.866 1.00 0.60 H new ATOM 1486 N LEU A 88 7.491 0.055 -6.920 1.00 0.50 N ATOM 1487 CA LEU A 88 8.690 0.561 -6.280 1.00 0.53 C ATOM 1488 C LEU A 88 9.922 0.299 -7.130 1.00 0.44 C ATOM 1489 O LEU A 88 10.185 -0.840 -7.519 1.00 0.42 O ATOM 1490 CB LEU A 88 8.843 -0.035 -4.883 1.00 0.63 C ATOM 1491 CG LEU A 88 7.994 0.661 -3.822 1.00 0.88 C ATOM 1492 CD1 LEU A 88 8.073 -0.068 -2.496 1.00 1.19 C ATOM 1493 CD2 LEU A 88 8.447 2.101 -3.672 1.00 1.51 C ATOM 0 H LEU A 88 7.375 -0.957 -6.858 1.00 0.50 H new ATOM 0 HA LEU A 88 8.590 1.642 -6.179 1.00 0.53 H new ATOM 0 HB2 LEU A 88 8.573 -1.091 -4.916 1.00 0.63 H new ATOM 0 HB3 LEU A 88 9.891 0.017 -4.588 1.00 0.63 H new ATOM 0 HG LEU A 88 6.952 0.647 -4.143 1.00 0.88 H new ATOM 0 HD11 LEU A 88 7.459 0.450 -1.759 1.00 1.19 H new ATOM 0 HD12 LEU A 88 7.709 -1.088 -2.619 1.00 1.19 H new ATOM 0 HD13 LEU A 88 9.108 -0.091 -2.154 1.00 1.19 H new ATOM 0 HD21 LEU A 88 7.840 2.596 -2.914 1.00 1.51 H new ATOM 0 HD22 LEU A 88 9.494 2.123 -3.370 1.00 1.51 H new ATOM 0 HD23 LEU A 88 8.333 2.619 -4.624 1.00 1.51 H new ATOM 1505 N LYS A 89 10.671 1.354 -7.419 1.00 0.44 N ATOM 1506 CA LYS A 89 11.907 1.213 -8.165 1.00 0.42 C ATOM 1507 C LYS A 89 13.081 1.097 -7.214 1.00 0.39 C ATOM 1508 O LYS A 89 13.430 2.041 -6.508 1.00 0.42 O ATOM 1509 CB LYS A 89 12.110 2.373 -9.137 1.00 0.51 C ATOM 1510 CG LYS A 89 11.143 2.338 -10.304 1.00 0.69 C ATOM 1511 CD LYS A 89 11.694 3.070 -11.511 1.00 0.93 C ATOM 1512 CE LYS A 89 11.631 4.580 -11.347 1.00 1.49 C ATOM 1513 NZ LYS A 89 12.217 5.286 -12.517 1.00 2.11 N ATOM 0 H LYS A 89 10.443 2.311 -7.149 1.00 0.44 H new ATOM 0 HA LYS A 89 11.842 0.300 -8.756 1.00 0.42 H new ATOM 0 HB2 LYS A 89 11.992 3.315 -8.601 1.00 0.51 H new ATOM 0 HB3 LYS A 89 13.131 2.348 -9.517 1.00 0.51 H new ATOM 0 HG2 LYS A 89 10.933 1.302 -10.571 1.00 0.69 H new ATOM 0 HG3 LYS A 89 10.196 2.789 -10.006 1.00 0.69 H new ATOM 0 HD2 LYS A 89 12.728 2.767 -11.676 1.00 0.93 H new ATOM 0 HD3 LYS A 89 11.131 2.779 -12.398 1.00 0.93 H new ATOM 0 HE2 LYS A 89 10.594 4.889 -11.218 1.00 1.49 H new ATOM 0 HE3 LYS A 89 12.165 4.870 -10.442 1.00 1.49 H new ATOM 0 HZ1 LYS A 89 12.156 6.314 -12.369 1.00 2.11 H new ATOM 0 HZ2 LYS A 89 13.214 5.010 -12.625 1.00 2.11 H new ATOM 0 HZ3 LYS A 89 11.691 5.029 -13.377 1.00 2.11 H new ATOM 1527 N ILE A 90 13.699 -0.059 -7.233 1.00 0.36 N ATOM 1528 CA ILE A 90 14.722 -0.404 -6.260 1.00 0.33 C ATOM 1529 C ILE A 90 16.020 -0.739 -6.976 1.00 0.35 C ATOM 1530 O ILE A 90 16.000 -1.392 -8.016 1.00 0.36 O ATOM 1531 CB ILE A 90 14.302 -1.622 -5.401 1.00 0.32 C ATOM 1532 CG1 ILE A 90 12.907 -1.412 -4.798 1.00 0.35 C ATOM 1533 CG2 ILE A 90 15.324 -1.878 -4.300 1.00 0.33 C ATOM 1534 CD1 ILE A 90 12.815 -0.239 -3.844 1.00 0.36 C ATOM 0 H ILE A 90 13.512 -0.790 -7.920 1.00 0.36 H new ATOM 0 HA ILE A 90 14.857 0.457 -5.605 1.00 0.33 H new ATOM 0 HB ILE A 90 14.264 -2.497 -6.050 1.00 0.32 H new ATOM 0 HG12 ILE A 90 12.192 -1.265 -5.607 1.00 0.35 H new ATOM 0 HG13 ILE A 90 12.611 -2.319 -4.271 1.00 0.35 H new ATOM 0 HG21 ILE A 90 15.012 -2.738 -3.707 1.00 0.33 H new ATOM 0 HG22 ILE A 90 16.297 -2.080 -4.747 1.00 0.33 H new ATOM 0 HG23 ILE A 90 15.394 -1.000 -3.658 1.00 0.33 H new ATOM 0 HD11 ILE A 90 11.797 -0.159 -3.462 1.00 0.36 H new ATOM 0 HD12 ILE A 90 13.504 -0.391 -3.013 1.00 0.36 H new ATOM 0 HD13 ILE A 90 13.078 0.679 -4.370 1.00 0.36 H new ATOM 1546 N ARG A 91 17.141 -0.285 -6.438 1.00 0.38 N ATOM 1547 CA ARG A 91 18.440 -0.642 -6.974 1.00 0.43 C ATOM 1548 C ARG A 91 19.205 -1.494 -5.960 1.00 0.42 C ATOM 1549 O ARG A 91 19.310 -1.127 -4.788 1.00 0.44 O ATOM 1550 CB ARG A 91 19.218 0.628 -7.317 1.00 0.52 C ATOM 1551 CG ARG A 91 20.519 0.379 -8.056 1.00 0.57 C ATOM 1552 CD ARG A 91 21.089 1.673 -8.610 1.00 0.74 C ATOM 1553 NE ARG A 91 20.181 2.299 -9.572 1.00 0.72 N ATOM 1554 CZ ARG A 91 20.494 2.536 -10.845 1.00 1.09 C ATOM 1555 NH1 ARG A 91 21.710 2.249 -11.295 1.00 1.82 N ATOM 1556 NH2 ARG A 91 19.598 3.082 -11.661 1.00 1.12 N ATOM 0 H ARG A 91 17.175 0.334 -5.628 1.00 0.38 H new ATOM 0 HA ARG A 91 18.312 -1.228 -7.884 1.00 0.43 H new ATOM 0 HB2 ARG A 91 18.586 1.275 -7.925 1.00 0.52 H new ATOM 0 HB3 ARG A 91 19.434 1.168 -6.395 1.00 0.52 H new ATOM 0 HG2 ARG A 91 21.241 -0.081 -7.382 1.00 0.57 H new ATOM 0 HG3 ARG A 91 20.349 -0.325 -8.870 1.00 0.57 H new ATOM 0 HD2 ARG A 91 21.283 2.365 -7.790 1.00 0.74 H new ATOM 0 HD3 ARG A 91 22.046 1.472 -9.091 1.00 0.74 H new ATOM 0 HE ARG A 91 19.253 2.570 -9.248 1.00 0.72 H new ATOM 0 HH11 ARG A 91 22.405 1.847 -10.666 1.00 1.82 H new ATOM 0 HH12 ARG A 91 21.949 2.431 -12.270 1.00 1.82 H new ATOM 0 HH21 ARG A 91 18.669 3.320 -11.313 1.00 1.12 H new ATOM 0 HH22 ARG A 91 19.839 3.263 -12.635 1.00 1.12 H new ATOM 1570 N MET A 92 19.711 -2.636 -6.412 1.00 0.42 N ATOM 1571 CA MET A 92 20.444 -3.560 -5.555 1.00 0.44 C ATOM 1572 C MET A 92 21.894 -3.131 -5.403 1.00 0.48 C ATOM 1573 O MET A 92 22.362 -2.243 -6.121 1.00 0.51 O ATOM 1574 CB MET A 92 20.420 -4.985 -6.125 1.00 0.46 C ATOM 1575 CG MET A 92 19.052 -5.643 -6.159 1.00 0.57 C ATOM 1576 SD MET A 92 18.123 -5.270 -7.656 1.00 1.04 S ATOM 1577 CE MET A 92 16.910 -4.133 -7.004 1.00 0.34 C ATOM 0 H MET A 92 19.625 -2.947 -7.380 1.00 0.42 H new ATOM 0 HA MET A 92 19.951 -3.546 -4.583 1.00 0.44 H new ATOM 0 HB2 MET A 92 20.819 -4.961 -7.139 1.00 0.46 H new ATOM 0 HB3 MET A 92 21.091 -5.608 -5.533 1.00 0.46 H new ATOM 0 HG2 MET A 92 19.173 -6.723 -6.074 1.00 0.57 H new ATOM 0 HG3 MET A 92 18.478 -5.317 -5.292 1.00 0.57 H new ATOM 0 HE1 MET A 92 16.622 -3.424 -7.780 1.00 0.34 H new ATOM 0 HE2 MET A 92 16.031 -4.688 -6.675 1.00 0.34 H new ATOM 0 HE3 MET A 92 17.335 -3.593 -6.158 1.00 0.34 H new ATOM 1587 N LEU A 93 22.603 -3.835 -4.516 1.00 0.49 N ATOM 1588 CA LEU A 93 23.975 -3.499 -4.128 1.00 0.55 C ATOM 1589 C LEU A 93 24.877 -3.377 -5.348 1.00 0.61 C ATOM 1590 O LEU A 93 25.730 -2.492 -5.418 1.00 0.69 O ATOM 1591 CB LEU A 93 24.572 -4.576 -3.199 1.00 0.57 C ATOM 1592 CG LEU A 93 23.804 -4.907 -1.909 1.00 0.57 C ATOM 1593 CD1 LEU A 93 23.303 -3.643 -1.231 1.00 0.68 C ATOM 1594 CD2 LEU A 93 22.656 -5.877 -2.175 1.00 0.79 C ATOM 0 H LEU A 93 22.237 -4.661 -4.043 1.00 0.49 H new ATOM 0 HA LEU A 93 23.927 -2.544 -3.605 1.00 0.55 H new ATOM 0 HB2 LEU A 93 24.675 -5.496 -3.774 1.00 0.57 H new ATOM 0 HB3 LEU A 93 25.577 -4.260 -2.920 1.00 0.57 H new ATOM 0 HG LEU A 93 24.501 -5.400 -1.231 1.00 0.57 H new ATOM 0 HD11 LEU A 93 22.764 -3.907 -0.321 1.00 0.68 H new ATOM 0 HD12 LEU A 93 24.150 -3.005 -0.978 1.00 0.68 H new ATOM 0 HD13 LEU A 93 22.635 -3.108 -1.906 1.00 0.68 H new ATOM 0 HD21 LEU A 93 22.135 -6.089 -1.241 1.00 0.79 H new ATOM 0 HD22 LEU A 93 21.960 -5.431 -2.886 1.00 0.79 H new ATOM 0 HD23 LEU A 93 23.052 -6.805 -2.588 1.00 0.79 H new ATOM 1606 N ASP A 94 24.672 -4.272 -6.306 1.00 0.61 N ATOM 1607 CA ASP A 94 25.517 -4.341 -7.492 1.00 0.69 C ATOM 1608 C ASP A 94 25.241 -3.165 -8.424 1.00 0.66 C ATOM 1609 O ASP A 94 26.041 -2.856 -9.305 1.00 0.70 O ATOM 1610 CB ASP A 94 25.280 -5.664 -8.230 1.00 0.76 C ATOM 1611 CG ASP A 94 26.333 -5.944 -9.286 1.00 1.47 C ATOM 1612 OD1 ASP A 94 27.399 -6.499 -8.947 1.00 2.26 O ATOM 1613 OD2 ASP A 94 26.102 -5.599 -10.464 1.00 1.93 O ATOM 0 H ASP A 94 23.923 -4.964 -6.284 1.00 0.61 H new ATOM 0 HA ASP A 94 26.559 -4.290 -7.175 1.00 0.69 H new ATOM 0 HB2 ASP A 94 25.269 -6.481 -7.508 1.00 0.76 H new ATOM 0 HB3 ASP A 94 24.297 -5.642 -8.700 1.00 0.76 H new ATOM 1618 N GLY A 95 24.122 -2.490 -8.200 1.00 0.61 N ATOM 1619 CA GLY A 95 23.734 -1.393 -9.061 1.00 0.61 C ATOM 1620 C GLY A 95 22.597 -1.774 -9.982 1.00 0.58 C ATOM 1621 O GLY A 95 22.250 -1.028 -10.899 1.00 0.64 O ATOM 0 H GLY A 95 23.475 -2.684 -7.435 1.00 0.61 H new ATOM 0 HA2 GLY A 95 23.437 -0.540 -8.451 1.00 0.61 H new ATOM 0 HA3 GLY A 95 24.592 -1.077 -9.655 1.00 0.61 H new ATOM 1625 N THR A 96 22.015 -2.938 -9.735 1.00 0.54 N ATOM 1626 CA THR A 96 20.915 -3.435 -10.550 1.00 0.54 C ATOM 1627 C THR A 96 19.610 -2.780 -10.123 1.00 0.47 C ATOM 1628 O THR A 96 19.314 -2.729 -8.942 1.00 0.47 O ATOM 1629 CB THR A 96 20.782 -4.960 -10.390 1.00 0.62 C ATOM 1630 OG1 THR A 96 22.076 -5.575 -10.472 1.00 0.81 O ATOM 1631 CG2 THR A 96 19.867 -5.548 -11.454 1.00 0.61 C ATOM 0 H THR A 96 22.287 -3.559 -8.973 1.00 0.54 H new ATOM 0 HA THR A 96 21.124 -3.193 -11.592 1.00 0.54 H new ATOM 0 HB THR A 96 20.343 -5.160 -9.413 1.00 0.62 H new ATOM 0 HG1 THR A 96 21.984 -6.545 -10.368 1.00 0.81 H new ATOM 0 HG21 THR A 96 19.793 -6.627 -11.315 1.00 0.61 H new ATOM 0 HG22 THR A 96 18.876 -5.102 -11.368 1.00 0.61 H new ATOM 0 HG23 THR A 96 20.276 -5.337 -12.442 1.00 0.61 H new ATOM 1639 N VAL A 97 18.835 -2.268 -11.058 1.00 0.45 N ATOM 1640 CA VAL A 97 17.578 -1.635 -10.693 1.00 0.41 C ATOM 1641 C VAL A 97 16.382 -2.407 -11.252 1.00 0.38 C ATOM 1642 O VAL A 97 16.386 -2.852 -12.402 1.00 0.41 O ATOM 1643 CB VAL A 97 17.535 -0.150 -11.130 1.00 0.50 C ATOM 1644 CG1 VAL A 97 17.635 -0.013 -12.635 1.00 1.07 C ATOM 1645 CG2 VAL A 97 16.282 0.539 -10.608 1.00 1.11 C ATOM 0 H VAL A 97 19.044 -2.275 -12.056 1.00 0.45 H new ATOM 0 HA VAL A 97 17.512 -1.658 -9.605 1.00 0.41 H new ATOM 0 HB VAL A 97 18.402 0.344 -10.692 1.00 0.50 H new ATOM 0 HG11 VAL A 97 17.602 1.042 -12.907 1.00 1.07 H new ATOM 0 HG12 VAL A 97 18.574 -0.447 -12.978 1.00 1.07 H new ATOM 0 HG13 VAL A 97 16.801 -0.535 -13.104 1.00 1.07 H new ATOM 0 HG21 VAL A 97 16.278 1.580 -10.930 1.00 1.11 H new ATOM 0 HG22 VAL A 97 15.399 0.035 -11.001 1.00 1.11 H new ATOM 0 HG23 VAL A 97 16.270 0.496 -9.519 1.00 1.11 H new ATOM 1655 N LYS A 98 15.373 -2.570 -10.412 1.00 0.35 N ATOM 1656 CA LYS A 98 14.151 -3.265 -10.796 1.00 0.35 C ATOM 1657 C LYS A 98 12.940 -2.542 -10.229 1.00 0.36 C ATOM 1658 O LYS A 98 13.059 -1.786 -9.266 1.00 0.37 O ATOM 1659 CB LYS A 98 14.155 -4.730 -10.327 1.00 0.38 C ATOM 1660 CG LYS A 98 13.972 -4.920 -8.826 1.00 0.41 C ATOM 1661 CD LYS A 98 13.569 -6.352 -8.477 1.00 0.43 C ATOM 1662 CE LYS A 98 12.138 -6.656 -8.902 1.00 0.43 C ATOM 1663 NZ LYS A 98 12.025 -7.000 -10.346 1.00 0.94 N ATOM 0 H LYS A 98 15.375 -2.228 -9.451 1.00 0.35 H new ATOM 0 HA LYS A 98 14.100 -3.265 -11.885 1.00 0.35 H new ATOM 0 HB2 LYS A 98 13.360 -5.265 -10.847 1.00 0.38 H new ATOM 0 HB3 LYS A 98 15.097 -5.190 -10.625 1.00 0.38 H new ATOM 0 HG2 LYS A 98 14.900 -4.669 -8.313 1.00 0.41 H new ATOM 0 HG3 LYS A 98 13.210 -4.230 -8.463 1.00 0.41 H new ATOM 0 HD2 LYS A 98 14.249 -7.050 -8.965 1.00 0.43 H new ATOM 0 HD3 LYS A 98 13.670 -6.507 -7.403 1.00 0.43 H new ATOM 0 HE2 LYS A 98 11.755 -7.484 -8.305 1.00 0.43 H new ATOM 0 HE3 LYS A 98 11.509 -5.791 -8.689 1.00 0.43 H new ATOM 0 HZ1 LYS A 98 11.631 -6.190 -10.866 1.00 0.94 H new ATOM 0 HZ2 LYS A 98 12.967 -7.229 -10.723 1.00 0.94 H new ATOM 0 HZ3 LYS A 98 11.398 -7.822 -10.459 1.00 0.94 H new ATOM 1677 N THR A 99 11.779 -2.770 -10.823 1.00 0.40 N ATOM 1678 CA THR A 99 10.540 -2.237 -10.294 1.00 0.44 C ATOM 1679 C THR A 99 9.676 -3.386 -9.795 1.00 0.47 C ATOM 1680 O THR A 99 9.279 -4.256 -10.572 1.00 0.58 O ATOM 1681 CB THR A 99 9.756 -1.440 -11.354 1.00 0.48 C ATOM 1682 OG1 THR A 99 10.576 -0.399 -11.897 1.00 0.50 O ATOM 1683 CG2 THR A 99 8.499 -0.833 -10.751 1.00 0.57 C ATOM 0 H THR A 99 11.672 -3.322 -11.674 1.00 0.40 H new ATOM 0 HA THR A 99 10.789 -1.557 -9.479 1.00 0.44 H new ATOM 0 HB THR A 99 9.468 -2.127 -12.150 1.00 0.48 H new ATOM 0 HG1 THR A 99 10.068 0.100 -12.571 1.00 0.50 H new ATOM 0 HG21 THR A 99 7.961 -0.275 -11.517 1.00 0.57 H new ATOM 0 HG22 THR A 99 7.860 -1.628 -10.365 1.00 0.57 H new ATOM 0 HG23 THR A 99 8.773 -0.161 -9.938 1.00 0.57 H new ATOM 1691 N ILE A 100 9.409 -3.410 -8.505 1.00 0.42 N ATOM 1692 CA ILE A 100 8.614 -4.469 -7.915 1.00 0.44 C ATOM 1693 C ILE A 100 7.474 -3.850 -7.122 1.00 0.45 C ATOM 1694 O ILE A 100 7.619 -2.758 -6.570 1.00 0.45 O ATOM 1695 CB ILE A 100 9.491 -5.397 -7.027 1.00 0.48 C ATOM 1696 CG1 ILE A 100 8.714 -6.648 -6.579 1.00 0.61 C ATOM 1697 CG2 ILE A 100 10.047 -4.638 -5.826 1.00 0.48 C ATOM 1698 CD1 ILE A 100 8.000 -6.512 -5.249 1.00 0.50 C ATOM 0 H ILE A 100 9.732 -2.705 -7.842 1.00 0.42 H new ATOM 0 HA ILE A 100 8.196 -5.093 -8.705 1.00 0.44 H new ATOM 0 HB ILE A 100 10.332 -5.733 -7.633 1.00 0.48 H new ATOM 0 HG12 ILE A 100 7.980 -6.896 -7.346 1.00 0.61 H new ATOM 0 HG13 ILE A 100 9.408 -7.487 -6.519 1.00 0.61 H new ATOM 0 HG21 ILE A 100 10.656 -5.310 -5.221 1.00 0.48 H new ATOM 0 HG22 ILE A 100 10.659 -3.806 -6.173 1.00 0.48 H new ATOM 0 HG23 ILE A 100 9.223 -4.255 -5.224 1.00 0.48 H new ATOM 0 HD11 ILE A 100 7.481 -7.442 -5.018 1.00 0.50 H new ATOM 0 HD12 ILE A 100 8.727 -6.298 -4.466 1.00 0.50 H new ATOM 0 HD13 ILE A 100 7.277 -5.698 -5.306 1.00 0.50 H new ATOM 1710 N MET A 101 6.334 -4.515 -7.093 1.00 0.47 N ATOM 1711 CA MET A 101 5.188 -3.970 -6.397 1.00 0.50 C ATOM 1712 C MET A 101 5.152 -4.460 -4.970 1.00 0.50 C ATOM 1713 O MET A 101 4.969 -5.643 -4.693 1.00 0.52 O ATOM 1714 CB MET A 101 3.904 -4.336 -7.124 1.00 0.56 C ATOM 1715 CG MET A 101 3.866 -3.829 -8.553 1.00 0.64 C ATOM 1716 SD MET A 101 2.192 -3.503 -9.118 1.00 0.98 S ATOM 1717 CE MET A 101 1.707 -2.264 -7.921 1.00 0.59 C ATOM 0 H MET A 101 6.179 -5.420 -7.537 1.00 0.47 H new ATOM 0 HA MET A 101 5.276 -2.884 -6.381 1.00 0.50 H new ATOM 0 HB2 MET A 101 3.791 -5.420 -7.126 1.00 0.56 H new ATOM 0 HB3 MET A 101 3.054 -3.928 -6.577 1.00 0.56 H new ATOM 0 HG2 MET A 101 4.456 -2.916 -8.628 1.00 0.64 H new ATOM 0 HG3 MET A 101 4.332 -4.564 -9.209 1.00 0.64 H new ATOM 0 HE1 MET A 101 0.908 -1.650 -8.337 1.00 0.59 H new ATOM 0 HE2 MET A 101 1.354 -2.754 -7.013 1.00 0.59 H new ATOM 0 HE3 MET A 101 2.563 -1.633 -7.683 1.00 0.59 H new ATOM 1727 N VAL A 102 5.347 -3.511 -4.074 1.00 0.50 N ATOM 1728 CA VAL A 102 5.401 -3.793 -2.654 1.00 0.53 C ATOM 1729 C VAL A 102 4.279 -3.065 -1.932 1.00 0.49 C ATOM 1730 O VAL A 102 3.970 -1.917 -2.259 1.00 0.50 O ATOM 1731 CB VAL A 102 6.757 -3.387 -2.041 1.00 0.61 C ATOM 1732 CG1 VAL A 102 7.085 -4.279 -0.862 1.00 0.73 C ATOM 1733 CG2 VAL A 102 7.868 -3.432 -3.079 1.00 0.90 C ATOM 0 H VAL A 102 5.472 -2.527 -4.310 1.00 0.50 H new ATOM 0 HA VAL A 102 5.282 -4.869 -2.530 1.00 0.53 H new ATOM 0 HB VAL A 102 6.678 -2.358 -1.690 1.00 0.61 H new ATOM 0 HG11 VAL A 102 8.044 -3.983 -0.438 1.00 0.73 H new ATOM 0 HG12 VAL A 102 6.307 -4.181 -0.104 1.00 0.73 H new ATOM 0 HG13 VAL A 102 7.140 -5.316 -1.194 1.00 0.73 H new ATOM 0 HG21 VAL A 102 8.811 -3.141 -2.616 1.00 0.90 H new ATOM 0 HG22 VAL A 102 7.956 -4.444 -3.475 1.00 0.90 H new ATOM 0 HG23 VAL A 102 7.635 -2.744 -3.891 1.00 0.90 H new ATOM 1743 N ASP A 103 3.665 -3.749 -0.974 1.00 0.48 N ATOM 1744 CA ASP A 103 2.497 -3.225 -0.265 1.00 0.47 C ATOM 1745 C ASP A 103 2.819 -1.916 0.450 1.00 0.46 C ATOM 1746 O ASP A 103 3.843 -1.796 1.121 1.00 0.51 O ATOM 1747 CB ASP A 103 1.973 -4.242 0.754 1.00 0.51 C ATOM 1748 CG ASP A 103 1.971 -5.662 0.231 1.00 1.22 C ATOM 1749 OD1 ASP A 103 1.229 -5.960 -0.729 1.00 1.56 O ATOM 1750 OD2 ASP A 103 2.743 -6.483 0.769 1.00 1.96 O ATOM 0 H ASP A 103 3.958 -4.676 -0.666 1.00 0.48 H new ATOM 0 HA ASP A 103 1.728 -3.036 -1.014 1.00 0.47 H new ATOM 0 HB2 ASP A 103 2.586 -4.194 1.654 1.00 0.51 H new ATOM 0 HB3 ASP A 103 0.959 -3.967 1.044 1.00 0.51 H new ATOM 1755 N ASP A 104 1.934 -0.942 0.297 1.00 0.46 N ATOM 1756 CA ASP A 104 2.059 0.340 0.988 1.00 0.47 C ATOM 1757 C ASP A 104 1.416 0.245 2.369 1.00 0.46 C ATOM 1758 O ASP A 104 1.559 1.129 3.217 1.00 0.54 O ATOM 1759 CB ASP A 104 1.391 1.446 0.160 1.00 0.54 C ATOM 1760 CG ASP A 104 1.384 2.797 0.855 1.00 0.66 C ATOM 1761 OD1 ASP A 104 2.424 3.488 0.843 1.00 1.08 O ATOM 1762 OD2 ASP A 104 0.330 3.181 1.402 1.00 0.64 O ATOM 0 H ASP A 104 1.113 -1.013 -0.304 1.00 0.46 H new ATOM 0 HA ASP A 104 3.114 0.585 1.108 1.00 0.47 H new ATOM 0 HB2 ASP A 104 1.909 1.539 -0.794 1.00 0.54 H new ATOM 0 HB3 ASP A 104 0.365 1.154 -0.062 1.00 0.54 H new ATOM 1767 N SER A 105 0.718 -0.855 2.590 1.00 0.43 N ATOM 1768 CA SER A 105 0.006 -1.083 3.838 1.00 0.49 C ATOM 1769 C SER A 105 0.935 -1.541 4.968 1.00 0.57 C ATOM 1770 O SER A 105 0.486 -1.764 6.096 1.00 0.96 O ATOM 1771 CB SER A 105 -1.083 -2.119 3.594 1.00 0.52 C ATOM 1772 OG SER A 105 -0.600 -3.162 2.759 1.00 1.27 O ATOM 0 H SER A 105 0.628 -1.613 1.914 1.00 0.43 H new ATOM 0 HA SER A 105 -0.431 -0.138 4.161 1.00 0.49 H new ATOM 0 HB2 SER A 105 -1.419 -2.533 4.545 1.00 0.52 H new ATOM 0 HB3 SER A 105 -1.947 -1.644 3.130 1.00 0.52 H new ATOM 0 HG SER A 105 -0.803 -4.029 3.168 1.00 1.27 H new ATOM 1778 N LYS A 106 2.222 -1.664 4.674 1.00 0.45 N ATOM 1779 CA LYS A 106 3.179 -2.170 5.646 1.00 0.49 C ATOM 1780 C LYS A 106 4.418 -1.282 5.746 1.00 0.52 C ATOM 1781 O LYS A 106 4.533 -0.276 5.044 1.00 0.65 O ATOM 1782 CB LYS A 106 3.556 -3.607 5.287 1.00 0.58 C ATOM 1783 CG LYS A 106 3.796 -3.822 3.804 1.00 0.69 C ATOM 1784 CD LYS A 106 5.271 -3.765 3.451 1.00 0.58 C ATOM 1785 CE LYS A 106 5.517 -4.236 2.030 1.00 1.00 C ATOM 1786 NZ LYS A 106 5.103 -5.652 1.822 1.00 2.02 N ATOM 0 H LYS A 106 2.627 -1.420 3.770 1.00 0.45 H new ATOM 0 HA LYS A 106 2.709 -2.157 6.630 1.00 0.49 H new ATOM 0 HB2 LYS A 106 4.456 -3.885 5.836 1.00 0.58 H new ATOM 0 HB3 LYS A 106 2.761 -4.275 5.618 1.00 0.58 H new ATOM 0 HG2 LYS A 106 3.390 -4.789 3.508 1.00 0.69 H new ATOM 0 HG3 LYS A 106 3.258 -3.063 3.236 1.00 0.69 H new ATOM 0 HD2 LYS A 106 5.635 -2.744 3.566 1.00 0.58 H new ATOM 0 HD3 LYS A 106 5.837 -4.386 4.145 1.00 0.58 H new ATOM 0 HE2 LYS A 106 4.971 -3.595 1.338 1.00 1.00 H new ATOM 0 HE3 LYS A 106 6.576 -4.131 1.793 1.00 1.00 H new ATOM 0 HZ1 LYS A 106 5.734 -6.100 1.127 1.00 2.02 H new ATOM 0 HZ2 LYS A 106 5.161 -6.167 2.724 1.00 2.02 H new ATOM 0 HZ3 LYS A 106 4.125 -5.680 1.470 1.00 2.02 H new ATOM 1800 N THR A 107 5.336 -1.659 6.628 1.00 0.53 N ATOM 1801 CA THR A 107 6.519 -0.858 6.906 1.00 0.57 C ATOM 1802 C THR A 107 7.695 -1.222 5.997 1.00 0.52 C ATOM 1803 O THR A 107 7.566 -2.031 5.075 1.00 0.54 O ATOM 1804 CB THR A 107 6.946 -1.022 8.377 1.00 0.69 C ATOM 1805 OG1 THR A 107 7.029 -2.415 8.707 1.00 0.76 O ATOM 1806 CG2 THR A 107 5.962 -0.329 9.308 1.00 0.74 C ATOM 0 H THR A 107 5.281 -2.523 7.167 1.00 0.53 H new ATOM 0 HA THR A 107 6.249 0.179 6.709 1.00 0.57 H new ATOM 0 HB THR A 107 7.925 -0.559 8.505 1.00 0.69 H new ATOM 0 HG1 THR A 107 7.303 -2.514 9.643 1.00 0.76 H new ATOM 0 HG21 THR A 107 6.285 -0.459 10.341 1.00 0.74 H new ATOM 0 HG22 THR A 107 5.924 0.734 9.071 1.00 0.74 H new ATOM 0 HG23 THR A 107 4.971 -0.765 9.180 1.00 0.74 H new ATOM 1814 N VAL A 108 8.851 -0.628 6.286 1.00 0.49 N ATOM 1815 CA VAL A 108 10.050 -0.794 5.473 1.00 0.47 C ATOM 1816 C VAL A 108 10.551 -2.228 5.488 1.00 0.42 C ATOM 1817 O VAL A 108 10.750 -2.843 4.449 1.00 0.44 O ATOM 1818 CB VAL A 108 11.181 0.101 5.998 1.00 0.55 C ATOM 1819 CG1 VAL A 108 12.424 -0.032 5.133 1.00 0.61 C ATOM 1820 CG2 VAL A 108 10.722 1.547 6.097 1.00 0.60 C ATOM 0 H VAL A 108 8.981 -0.017 7.092 1.00 0.49 H new ATOM 0 HA VAL A 108 9.776 -0.517 4.455 1.00 0.47 H new ATOM 0 HB VAL A 108 11.443 -0.232 7.002 1.00 0.55 H new ATOM 0 HG11 VAL A 108 13.211 0.612 5.526 1.00 0.61 H new ATOM 0 HG12 VAL A 108 12.764 -1.067 5.142 1.00 0.61 H new ATOM 0 HG13 VAL A 108 12.189 0.264 4.111 1.00 0.61 H new ATOM 0 HG21 VAL A 108 11.539 2.163 6.471 1.00 0.60 H new ATOM 0 HG22 VAL A 108 10.422 1.902 5.111 1.00 0.60 H new ATOM 0 HG23 VAL A 108 9.875 1.614 6.780 1.00 0.60 H new ATOM 1830 N THR A 109 10.805 -2.710 6.687 1.00 0.43 N ATOM 1831 CA THR A 109 11.282 -4.071 6.927 1.00 0.43 C ATOM 1832 C THR A 109 10.533 -5.118 6.098 1.00 0.44 C ATOM 1833 O THR A 109 11.155 -5.968 5.457 1.00 0.45 O ATOM 1834 CB THR A 109 11.154 -4.404 8.418 1.00 0.51 C ATOM 1835 OG1 THR A 109 11.741 -3.338 9.171 1.00 0.56 O ATOM 1836 CG2 THR A 109 11.842 -5.719 8.758 1.00 0.56 C ATOM 0 H THR A 109 10.686 -2.164 7.541 1.00 0.43 H new ATOM 0 HA THR A 109 12.326 -4.106 6.617 1.00 0.43 H new ATOM 0 HB THR A 109 10.099 -4.514 8.667 1.00 0.51 H new ATOM 0 HG1 THR A 109 12.240 -3.709 9.929 1.00 0.56 H new ATOM 0 HG21 THR A 109 11.731 -5.923 9.823 1.00 0.56 H new ATOM 0 HG22 THR A 109 11.387 -6.527 8.184 1.00 0.56 H new ATOM 0 HG23 THR A 109 12.901 -5.650 8.510 1.00 0.56 H new ATOM 1844 N ASP A 110 9.208 -5.045 6.094 1.00 0.47 N ATOM 1845 CA ASP A 110 8.400 -6.000 5.343 1.00 0.51 C ATOM 1846 C ASP A 110 8.623 -5.808 3.842 1.00 0.49 C ATOM 1847 O ASP A 110 8.692 -6.773 3.078 1.00 0.54 O ATOM 1848 CB ASP A 110 6.920 -5.829 5.689 1.00 0.57 C ATOM 1849 CG ASP A 110 6.048 -6.936 5.127 1.00 0.65 C ATOM 1850 OD1 ASP A 110 5.866 -6.994 3.895 1.00 0.70 O ATOM 1851 OD2 ASP A 110 5.525 -7.744 5.922 1.00 0.76 O ATOM 0 H ASP A 110 8.672 -4.339 6.599 1.00 0.47 H new ATOM 0 HA ASP A 110 8.704 -7.011 5.615 1.00 0.51 H new ATOM 0 HB2 ASP A 110 6.807 -5.800 6.773 1.00 0.57 H new ATOM 0 HB3 ASP A 110 6.572 -4.870 5.306 1.00 0.57 H new ATOM 1856 N MET A 111 8.752 -4.551 3.434 1.00 0.46 N ATOM 1857 CA MET A 111 9.059 -4.213 2.048 1.00 0.46 C ATOM 1858 C MET A 111 10.422 -4.764 1.644 1.00 0.40 C ATOM 1859 O MET A 111 10.565 -5.357 0.579 1.00 0.43 O ATOM 1860 CB MET A 111 9.012 -2.692 1.857 1.00 0.51 C ATOM 1861 CG MET A 111 9.780 -2.178 0.645 1.00 0.50 C ATOM 1862 SD MET A 111 9.675 -0.387 0.478 1.00 0.75 S ATOM 1863 CE MET A 111 9.926 0.101 2.177 1.00 0.67 C ATOM 0 H MET A 111 8.648 -3.743 4.048 1.00 0.46 H new ATOM 0 HA MET A 111 8.308 -4.671 1.404 1.00 0.46 H new ATOM 0 HB2 MET A 111 7.971 -2.383 1.768 1.00 0.51 H new ATOM 0 HB3 MET A 111 9.411 -2.215 2.752 1.00 0.51 H new ATOM 0 HG2 MET A 111 10.826 -2.472 0.729 1.00 0.50 H new ATOM 0 HG3 MET A 111 9.388 -2.648 -0.257 1.00 0.50 H new ATOM 0 HE1 MET A 111 10.191 1.158 2.217 1.00 0.67 H new ATOM 0 HE2 MET A 111 9.009 -0.065 2.742 1.00 0.67 H new ATOM 0 HE3 MET A 111 10.732 -0.491 2.610 1.00 0.67 H new ATOM 1873 N LEU A 112 11.415 -4.587 2.508 1.00 0.36 N ATOM 1874 CA LEU A 112 12.764 -5.073 2.240 1.00 0.34 C ATOM 1875 C LEU A 112 12.756 -6.594 2.134 1.00 0.37 C ATOM 1876 O LEU A 112 13.411 -7.172 1.268 1.00 0.42 O ATOM 1877 CB LEU A 112 13.717 -4.638 3.354 1.00 0.35 C ATOM 1878 CG LEU A 112 15.191 -4.558 2.952 1.00 0.38 C ATOM 1879 CD1 LEU A 112 15.414 -3.382 2.017 1.00 0.39 C ATOM 1880 CD2 LEU A 112 16.067 -4.429 4.180 1.00 0.46 C ATOM 0 H LEU A 112 11.311 -4.109 3.403 1.00 0.36 H new ATOM 0 HA LEU A 112 13.107 -4.648 1.297 1.00 0.34 H new ATOM 0 HB2 LEU A 112 13.402 -3.660 3.719 1.00 0.35 H new ATOM 0 HB3 LEU A 112 13.621 -5.335 4.186 1.00 0.35 H new ATOM 0 HG LEU A 112 15.462 -5.476 2.431 1.00 0.38 H new ATOM 0 HD11 LEU A 112 16.466 -3.334 1.737 1.00 0.39 H new ATOM 0 HD12 LEU A 112 14.806 -3.509 1.121 1.00 0.39 H new ATOM 0 HD13 LEU A 112 15.130 -2.458 2.521 1.00 0.39 H new ATOM 0 HD21 LEU A 112 17.113 -4.373 3.877 1.00 0.46 H new ATOM 0 HD22 LEU A 112 15.798 -3.524 4.725 1.00 0.46 H new ATOM 0 HD23 LEU A 112 15.922 -5.297 4.823 1.00 0.46 H new ATOM 1892 N MET A 113 11.989 -7.221 3.024 1.00 0.39 N ATOM 1893 CA MET A 113 11.780 -8.668 3.011 1.00 0.46 C ATOM 1894 C MET A 113 11.212 -9.105 1.667 1.00 0.49 C ATOM 1895 O MET A 113 11.532 -10.173 1.149 1.00 0.56 O ATOM 1896 CB MET A 113 10.796 -9.041 4.122 1.00 0.55 C ATOM 1897 CG MET A 113 10.527 -10.532 4.243 1.00 0.61 C ATOM 1898 SD MET A 113 9.081 -10.893 5.264 1.00 0.98 S ATOM 1899 CE MET A 113 9.515 -10.066 6.793 1.00 1.34 C ATOM 0 H MET A 113 11.494 -6.740 3.775 1.00 0.39 H new ATOM 0 HA MET A 113 12.734 -9.170 3.172 1.00 0.46 H new ATOM 0 HB2 MET A 113 11.184 -8.675 5.073 1.00 0.55 H new ATOM 0 HB3 MET A 113 9.852 -8.526 3.943 1.00 0.55 H new ATOM 0 HG2 MET A 113 10.380 -10.953 3.249 1.00 0.61 H new ATOM 0 HG3 MET A 113 11.401 -11.022 4.671 1.00 0.61 H new ATOM 0 HE1 MET A 113 8.828 -10.374 7.581 1.00 1.34 H new ATOM 0 HE2 MET A 113 10.534 -10.333 7.075 1.00 1.34 H new ATOM 0 HE3 MET A 113 9.448 -8.987 6.655 1.00 1.34 H new ATOM 1909 N THR A 114 10.368 -8.256 1.122 1.00 0.47 N ATOM 1910 CA THR A 114 9.725 -8.509 -0.147 1.00 0.50 C ATOM 1911 C THR A 114 10.693 -8.307 -1.317 1.00 0.46 C ATOM 1912 O THR A 114 10.708 -9.096 -2.262 1.00 0.49 O ATOM 1913 CB THR A 114 8.511 -7.581 -0.305 1.00 0.54 C ATOM 1914 OG1 THR A 114 7.545 -7.861 0.721 1.00 0.62 O ATOM 1915 CG2 THR A 114 7.874 -7.732 -1.677 1.00 0.60 C ATOM 0 H THR A 114 10.108 -7.367 1.549 1.00 0.47 H new ATOM 0 HA THR A 114 9.398 -9.549 -0.160 1.00 0.50 H new ATOM 0 HB THR A 114 8.856 -6.552 -0.207 1.00 0.54 H new ATOM 0 HG1 THR A 114 7.869 -7.515 1.579 1.00 0.62 H new ATOM 0 HG21 THR A 114 7.018 -7.062 -1.756 1.00 0.60 H new ATOM 0 HG22 THR A 114 8.604 -7.481 -2.447 1.00 0.60 H new ATOM 0 HG23 THR A 114 7.543 -8.761 -1.813 1.00 0.60 H new ATOM 1923 N ILE A 115 11.521 -7.270 -1.236 1.00 0.43 N ATOM 1924 CA ILE A 115 12.417 -6.911 -2.331 1.00 0.41 C ATOM 1925 C ILE A 115 13.519 -7.948 -2.501 1.00 0.42 C ATOM 1926 O ILE A 115 13.802 -8.387 -3.618 1.00 0.43 O ATOM 1927 CB ILE A 115 13.063 -5.527 -2.102 1.00 0.40 C ATOM 1928 CG1 ILE A 115 11.986 -4.446 -1.993 1.00 0.42 C ATOM 1929 CG2 ILE A 115 14.035 -5.198 -3.230 1.00 0.42 C ATOM 1930 CD1 ILE A 115 12.526 -3.095 -1.579 1.00 0.44 C ATOM 0 H ILE A 115 11.590 -6.661 -0.420 1.00 0.43 H new ATOM 0 HA ILE A 115 11.810 -6.876 -3.236 1.00 0.41 H new ATOM 0 HB ILE A 115 13.619 -5.557 -1.165 1.00 0.40 H new ATOM 0 HG12 ILE A 115 11.482 -4.348 -2.955 1.00 0.42 H new ATOM 0 HG13 ILE A 115 11.234 -4.765 -1.271 1.00 0.42 H new ATOM 0 HG21 ILE A 115 14.481 -4.219 -3.052 1.00 0.42 H new ATOM 0 HG22 ILE A 115 14.820 -5.953 -3.266 1.00 0.42 H new ATOM 0 HG23 ILE A 115 13.500 -5.186 -4.179 1.00 0.42 H new ATOM 0 HD11 ILE A 115 11.707 -2.378 -1.522 1.00 0.44 H new ATOM 0 HD12 ILE A 115 13.004 -3.178 -0.603 1.00 0.44 H new ATOM 0 HD13 ILE A 115 13.256 -2.754 -2.313 1.00 0.44 H new ATOM 1942 N CYS A 116 14.122 -8.352 -1.389 1.00 0.43 N ATOM 1943 CA CYS A 116 15.229 -9.297 -1.424 1.00 0.47 C ATOM 1944 C CYS A 116 14.776 -10.632 -2.007 1.00 0.50 C ATOM 1945 O CYS A 116 15.535 -11.309 -2.707 1.00 0.53 O ATOM 1946 CB CYS A 116 15.808 -9.493 -0.019 1.00 0.51 C ATOM 1947 SG CYS A 116 14.645 -10.193 1.174 1.00 1.56 S ATOM 0 H CYS A 116 13.862 -8.040 -0.453 1.00 0.43 H new ATOM 0 HA CYS A 116 16.010 -8.890 -2.066 1.00 0.47 H new ATOM 0 HB2 CYS A 116 16.679 -10.145 -0.085 1.00 0.51 H new ATOM 0 HB3 CYS A 116 16.158 -8.531 0.354 1.00 0.51 H new ATOM 0 HG CYS A 116 13.429 -10.014 0.751 1.00 1.56 H new ATOM 1953 N ALA A 117 13.517 -10.978 -1.755 1.00 0.50 N ATOM 1954 CA ALA A 117 12.952 -12.233 -2.225 1.00 0.54 C ATOM 1955 C ALA A 117 12.789 -12.230 -3.741 1.00 0.54 C ATOM 1956 O ALA A 117 12.808 -13.284 -4.376 1.00 0.58 O ATOM 1957 CB ALA A 117 11.614 -12.489 -1.550 1.00 0.57 C ATOM 0 H ALA A 117 12.866 -10.400 -1.223 1.00 0.50 H new ATOM 0 HA ALA A 117 13.642 -13.036 -1.963 1.00 0.54 H new ATOM 0 HB1 ALA A 117 11.200 -13.431 -1.909 1.00 0.57 H new ATOM 0 HB2 ALA A 117 11.755 -12.543 -0.471 1.00 0.57 H new ATOM 0 HB3 ALA A 117 10.926 -11.677 -1.786 1.00 0.57 H new ATOM 1963 N ARG A 118 12.642 -11.044 -4.325 1.00 0.50 N ATOM 1964 CA ARG A 118 12.492 -10.933 -5.772 1.00 0.51 C ATOM 1965 C ARG A 118 13.812 -11.260 -6.448 1.00 0.52 C ATOM 1966 O ARG A 118 13.855 -11.970 -7.451 1.00 0.55 O ATOM 1967 CB ARG A 118 12.037 -9.528 -6.195 1.00 0.49 C ATOM 1968 CG ARG A 118 10.900 -8.968 -5.357 1.00 0.49 C ATOM 1969 CD ARG A 118 9.686 -9.887 -5.329 1.00 0.58 C ATOM 1970 NE ARG A 118 9.050 -10.028 -6.639 1.00 0.84 N ATOM 1971 CZ ARG A 118 7.783 -10.415 -6.807 1.00 1.16 C ATOM 1972 NH1 ARG A 118 7.044 -10.765 -5.762 1.00 1.23 N ATOM 1973 NH2 ARG A 118 7.252 -10.465 -8.020 1.00 1.75 N ATOM 0 H ARG A 118 12.624 -10.155 -3.825 1.00 0.50 H new ATOM 0 HA ARG A 118 11.723 -11.642 -6.081 1.00 0.51 H new ATOM 0 HB2 ARG A 118 12.887 -8.849 -6.135 1.00 0.49 H new ATOM 0 HB3 ARG A 118 11.725 -9.557 -7.239 1.00 0.49 H new ATOM 0 HG2 ARG A 118 11.251 -8.804 -4.338 1.00 0.49 H new ATOM 0 HG3 ARG A 118 10.606 -7.996 -5.753 1.00 0.49 H new ATOM 0 HD2 ARG A 118 9.989 -10.870 -4.970 1.00 0.58 H new ATOM 0 HD3 ARG A 118 8.958 -9.498 -4.617 1.00 0.58 H new ATOM 0 HE ARG A 118 9.605 -9.819 -7.469 1.00 0.84 H new ATOM 0 HH11 ARG A 118 7.443 -10.739 -4.824 1.00 1.23 H new ATOM 0 HH12 ARG A 118 6.077 -11.060 -5.897 1.00 1.23 H new ATOM 0 HH21 ARG A 118 7.812 -10.207 -8.833 1.00 1.75 H new ATOM 0 HH22 ARG A 118 6.284 -10.762 -8.141 1.00 1.75 H new ATOM 1987 N ILE A 119 14.893 -10.749 -5.871 1.00 0.52 N ATOM 1988 CA ILE A 119 16.223 -10.946 -6.425 1.00 0.54 C ATOM 1989 C ILE A 119 16.683 -12.379 -6.199 1.00 0.58 C ATOM 1990 O ILE A 119 17.162 -13.048 -7.115 1.00 0.66 O ATOM 1991 CB ILE A 119 17.258 -10.007 -5.762 1.00 0.51 C ATOM 1992 CG1 ILE A 119 16.626 -8.670 -5.358 1.00 0.49 C ATOM 1993 CG2 ILE A 119 18.430 -9.773 -6.703 1.00 0.56 C ATOM 1994 CD1 ILE A 119 16.122 -7.847 -6.522 1.00 0.69 C ATOM 0 H ILE A 119 14.872 -10.193 -5.016 1.00 0.52 H new ATOM 0 HA ILE A 119 16.160 -10.725 -7.490 1.00 0.54 H new ATOM 0 HB ILE A 119 17.618 -10.492 -4.855 1.00 0.51 H new ATOM 0 HG12 ILE A 119 15.796 -8.864 -4.678 1.00 0.49 H new ATOM 0 HG13 ILE A 119 17.361 -8.085 -4.805 1.00 0.49 H new ATOM 0 HG21 ILE A 119 19.153 -9.111 -6.226 1.00 0.56 H new ATOM 0 HG22 ILE A 119 18.907 -10.725 -6.933 1.00 0.56 H new ATOM 0 HG23 ILE A 119 18.071 -9.315 -7.625 1.00 0.56 H new ATOM 0 HD11 ILE A 119 15.690 -6.918 -6.151 1.00 0.69 H new ATOM 0 HD12 ILE A 119 16.951 -7.619 -7.193 1.00 0.69 H new ATOM 0 HD13 ILE A 119 15.361 -8.410 -7.063 1.00 0.69 H new ATOM 2006 N GLY A 120 16.514 -12.843 -4.972 1.00 0.57 N ATOM 2007 CA GLY A 120 17.037 -14.133 -4.583 1.00 0.62 C ATOM 2008 C GLY A 120 17.956 -14.013 -3.387 1.00 0.64 C ATOM 2009 O GLY A 120 18.824 -14.859 -3.159 1.00 0.70 O ATOM 0 H GLY A 120 16.019 -12.344 -4.233 1.00 0.57 H new ATOM 0 HA2 GLY A 120 16.213 -14.806 -4.346 1.00 0.62 H new ATOM 0 HA3 GLY A 120 17.579 -14.576 -5.419 1.00 0.62 H new ATOM 2013 N ILE A 121 17.769 -12.941 -2.629 1.00 0.66 N ATOM 2014 CA ILE A 121 18.555 -12.697 -1.436 1.00 0.71 C ATOM 2015 C ILE A 121 17.780 -13.178 -0.217 1.00 0.82 C ATOM 2016 O ILE A 121 16.653 -12.741 0.026 1.00 1.54 O ATOM 2017 CB ILE A 121 18.892 -11.197 -1.270 1.00 0.63 C ATOM 2018 CG1 ILE A 121 19.522 -10.634 -2.548 1.00 0.59 C ATOM 2019 CG2 ILE A 121 19.830 -10.995 -0.089 1.00 0.67 C ATOM 2020 CD1 ILE A 121 19.744 -9.133 -2.508 1.00 0.56 C ATOM 0 H ILE A 121 17.072 -12.223 -2.825 1.00 0.66 H new ATOM 0 HA ILE A 121 19.493 -13.244 -1.532 1.00 0.71 H new ATOM 0 HB ILE A 121 17.964 -10.658 -1.080 1.00 0.63 H new ATOM 0 HG12 ILE A 121 20.478 -11.129 -2.720 1.00 0.59 H new ATOM 0 HG13 ILE A 121 18.881 -10.875 -3.396 1.00 0.59 H new ATOM 0 HG21 ILE A 121 20.059 -9.935 0.016 1.00 0.67 H new ATOM 0 HG22 ILE A 121 19.351 -11.355 0.822 1.00 0.67 H new ATOM 0 HG23 ILE A 121 20.753 -11.550 -0.258 1.00 0.67 H new ATOM 0 HD11 ILE A 121 20.193 -8.806 -3.446 1.00 0.56 H new ATOM 0 HD12 ILE A 121 18.789 -8.628 -2.367 1.00 0.56 H new ATOM 0 HD13 ILE A 121 20.410 -8.886 -1.682 1.00 0.56 H new ATOM 2032 N THR A 122 18.371 -14.094 0.528 1.00 0.96 N ATOM 2033 CA THR A 122 17.726 -14.658 1.702 1.00 1.00 C ATOM 2034 C THR A 122 17.827 -13.692 2.880 1.00 0.90 C ATOM 2035 O THR A 122 16.970 -13.675 3.767 1.00 1.04 O ATOM 2036 CB THR A 122 18.380 -16.000 2.074 1.00 1.18 C ATOM 2037 OG1 THR A 122 18.689 -16.729 0.876 1.00 1.55 O ATOM 2038 CG2 THR A 122 17.459 -16.837 2.952 1.00 1.65 C ATOM 0 H THR A 122 19.302 -14.466 0.340 1.00 0.96 H new ATOM 0 HA THR A 122 16.674 -14.825 1.471 1.00 1.00 H new ATOM 0 HB THR A 122 19.292 -15.793 2.633 1.00 1.18 H new ATOM 0 HG1 THR A 122 19.107 -17.583 1.112 1.00 1.55 H new ATOM 0 HG21 THR A 122 17.948 -17.779 3.198 1.00 1.65 H new ATOM 0 HG22 THR A 122 17.237 -16.292 3.870 1.00 1.65 H new ATOM 0 HG23 THR A 122 16.531 -17.039 2.417 1.00 1.65 H new ATOM 2046 N ASN A 123 18.877 -12.884 2.870 1.00 0.91 N ATOM 2047 CA ASN A 123 19.115 -11.911 3.926 1.00 0.87 C ATOM 2048 C ASN A 123 18.329 -10.637 3.671 1.00 0.77 C ATOM 2049 O ASN A 123 18.209 -10.192 2.531 1.00 1.05 O ATOM 2050 CB ASN A 123 20.604 -11.571 4.023 1.00 1.10 C ATOM 2051 CG ASN A 123 21.452 -12.723 4.522 1.00 1.31 C ATOM 2052 OD1 ASN A 123 21.137 -13.894 4.304 1.00 2.13 O ATOM 2053 ND2 ASN A 123 22.538 -12.401 5.203 1.00 1.50 N ATOM 0 H ASN A 123 19.584 -12.884 2.135 1.00 0.91 H new ATOM 0 HA ASN A 123 18.785 -12.355 4.865 1.00 0.87 H new ATOM 0 HB2 ASN A 123 20.964 -11.263 3.041 1.00 1.10 H new ATOM 0 HB3 ASN A 123 20.732 -10.719 4.691 1.00 1.10 H new ATOM 0 HD21 ASN A 123 23.147 -13.133 5.568 1.00 1.50 H new ATOM 0 HD22 ASN A 123 22.767 -11.420 5.364 1.00 1.50 H new ATOM 2060 N HIS A 124 17.782 -10.055 4.727 1.00 0.61 N ATOM 2061 CA HIS A 124 17.130 -8.759 4.610 1.00 0.59 C ATOM 2062 C HIS A 124 17.247 -7.983 5.914 1.00 0.57 C ATOM 2063 O HIS A 124 16.721 -6.882 6.039 1.00 0.66 O ATOM 2064 CB HIS A 124 15.656 -8.904 4.198 1.00 0.63 C ATOM 2065 CG HIS A 124 14.724 -9.327 5.296 1.00 0.58 C ATOM 2066 ND1 HIS A 124 13.967 -8.427 6.017 1.00 0.55 N ATOM 2067 CD2 HIS A 124 14.393 -10.553 5.766 1.00 0.66 C ATOM 2068 CE1 HIS A 124 13.211 -9.079 6.875 1.00 0.57 C ATOM 2069 NE2 HIS A 124 13.450 -10.369 6.746 1.00 0.66 N ATOM 0 H HIS A 124 17.776 -10.454 5.666 1.00 0.61 H new ATOM 0 HA HIS A 124 17.640 -8.201 3.824 1.00 0.59 H new ATOM 0 HB2 HIS A 124 15.312 -7.950 3.798 1.00 0.63 H new ATOM 0 HB3 HIS A 124 15.592 -9.631 3.388 1.00 0.63 H new ATOM 0 HD2 HIS A 124 14.795 -11.498 5.432 1.00 0.66 H new ATOM 0 HE1 HIS A 124 12.513 -8.633 7.568 1.00 0.57 H new ATOM 0 HE2 HIS A 124 13.006 -11.111 7.287 1.00 0.66 H new ATOM 2078 N ASP A 125 17.953 -8.549 6.878 1.00 0.62 N ATOM 2079 CA ASP A 125 18.064 -7.946 8.191 1.00 0.72 C ATOM 2080 C ASP A 125 19.358 -7.158 8.289 1.00 0.64 C ATOM 2081 O ASP A 125 19.530 -6.323 9.176 1.00 0.66 O ATOM 2082 CB ASP A 125 18.021 -9.026 9.274 1.00 0.97 C ATOM 2083 CG ASP A 125 16.667 -9.700 9.369 1.00 1.54 C ATOM 2084 OD1 ASP A 125 16.321 -10.490 8.465 1.00 2.14 O ATOM 2085 OD2 ASP A 125 15.936 -9.435 10.345 1.00 2.11 O ATOM 0 H ASP A 125 18.459 -9.429 6.773 1.00 0.62 H new ATOM 0 HA ASP A 125 17.224 -7.268 8.341 1.00 0.72 H new ATOM 0 HB2 ASP A 125 18.783 -9.777 9.064 1.00 0.97 H new ATOM 0 HB3 ASP A 125 18.270 -8.580 10.237 1.00 0.97 H new ATOM 2090 N GLU A 126 20.272 -7.434 7.365 1.00 0.62 N ATOM 2091 CA GLU A 126 21.548 -6.734 7.313 1.00 0.62 C ATOM 2092 C GLU A 126 21.526 -5.635 6.266 1.00 0.52 C ATOM 2093 O GLU A 126 22.570 -5.156 5.832 1.00 0.61 O ATOM 2094 CB GLU A 126 22.700 -7.706 7.044 1.00 0.76 C ATOM 2095 CG GLU A 126 22.527 -8.560 5.801 1.00 1.19 C ATOM 2096 CD GLU A 126 23.731 -9.441 5.542 1.00 1.84 C ATOM 2097 OE1 GLU A 126 23.986 -10.348 6.351 1.00 2.30 O ATOM 2098 OE2 GLU A 126 24.432 -9.220 4.533 1.00 2.27 O ATOM 0 H GLU A 126 20.151 -8.141 6.640 1.00 0.62 H new ATOM 0 HA GLU A 126 21.710 -6.274 8.288 1.00 0.62 H new ATOM 0 HB2 GLU A 126 23.625 -7.137 6.952 1.00 0.76 H new ATOM 0 HB3 GLU A 126 22.814 -8.362 7.907 1.00 0.76 H new ATOM 0 HG2 GLU A 126 21.639 -9.183 5.911 1.00 1.19 H new ATOM 0 HG3 GLU A 126 22.359 -7.915 4.939 1.00 1.19 H new ATOM 2105 N TYR A 127 20.332 -5.217 5.885 1.00 0.43 N ATOM 2106 CA TYR A 127 20.184 -4.169 4.892 1.00 0.38 C ATOM 2107 C TYR A 127 19.305 -3.044 5.414 1.00 0.39 C ATOM 2108 O TYR A 127 18.324 -3.278 6.122 1.00 0.42 O ATOM 2109 CB TYR A 127 19.575 -4.722 3.602 1.00 0.36 C ATOM 2110 CG TYR A 127 20.410 -5.783 2.930 1.00 0.36 C ATOM 2111 CD1 TYR A 127 21.630 -5.466 2.361 1.00 0.38 C ATOM 2112 CD2 TYR A 127 19.983 -7.099 2.875 1.00 0.40 C ATOM 2113 CE1 TYR A 127 22.405 -6.429 1.752 1.00 0.41 C ATOM 2114 CE2 TYR A 127 20.748 -8.071 2.270 1.00 0.43 C ATOM 2115 CZ TYR A 127 21.932 -7.739 1.679 1.00 0.43 C ATOM 2116 OH TYR A 127 22.726 -8.704 1.098 1.00 0.49 O ATOM 0 H TYR A 127 19.453 -5.586 6.247 1.00 0.43 H new ATOM 0 HA TYR A 127 21.180 -3.778 4.682 1.00 0.38 H new ATOM 0 HB2 TYR A 127 18.592 -5.137 3.826 1.00 0.36 H new ATOM 0 HB3 TYR A 127 19.422 -3.899 2.904 1.00 0.36 H new ATOM 0 HD1 TYR A 127 21.982 -4.445 2.395 1.00 0.38 H new ATOM 0 HD2 TYR A 127 19.034 -7.368 3.314 1.00 0.40 H new ATOM 0 HE1 TYR A 127 23.368 -6.172 1.336 1.00 0.41 H new ATOM 0 HE2 TYR A 127 20.411 -9.097 2.263 1.00 0.43 H new ATOM 0 HH TYR A 127 22.262 -9.567 1.122 1.00 0.49 H new ATOM 2126 N SER A 128 19.670 -1.826 5.076 1.00 0.40 N ATOM 2127 CA SER A 128 18.821 -0.678 5.318 1.00 0.42 C ATOM 2128 C SER A 128 18.347 -0.142 3.983 1.00 0.41 C ATOM 2129 O SER A 128 18.952 -0.430 2.948 1.00 0.54 O ATOM 2130 CB SER A 128 19.571 0.409 6.086 1.00 0.47 C ATOM 2131 OG SER A 128 19.906 -0.023 7.391 1.00 1.13 O ATOM 0 H SER A 128 20.559 -1.603 4.628 1.00 0.40 H new ATOM 0 HA SER A 128 17.969 -0.982 5.926 1.00 0.42 H new ATOM 0 HB2 SER A 128 20.478 0.679 5.546 1.00 0.47 H new ATOM 0 HB3 SER A 128 18.956 1.307 6.144 1.00 0.47 H new ATOM 0 HG SER A 128 20.150 0.752 7.940 1.00 1.13 H new ATOM 2137 N LEU A 129 17.275 0.623 3.984 1.00 0.42 N ATOM 2138 CA LEU A 129 16.779 1.156 2.733 1.00 0.42 C ATOM 2139 C LEU A 129 17.090 2.639 2.681 1.00 0.43 C ATOM 2140 O LEU A 129 17.165 3.286 3.712 1.00 0.48 O ATOM 2141 CB LEU A 129 15.275 0.885 2.597 1.00 0.43 C ATOM 2142 CG LEU A 129 14.764 0.675 1.164 1.00 0.45 C ATOM 2143 CD1 LEU A 129 13.451 -0.091 1.180 1.00 1.33 C ATOM 2144 CD2 LEU A 129 14.575 2.002 0.448 1.00 1.13 C ATOM 0 H LEU A 129 16.742 0.884 4.814 1.00 0.42 H new ATOM 0 HA LEU A 129 17.269 0.665 1.893 1.00 0.42 H new ATOM 0 HB2 LEU A 129 15.029 0.000 3.184 1.00 0.43 H new ATOM 0 HB3 LEU A 129 14.732 1.721 3.038 1.00 0.43 H new ATOM 0 HG LEU A 129 15.513 0.096 0.624 1.00 0.45 H new ATOM 0 HD11 LEU A 129 13.100 -0.233 0.158 1.00 1.33 H new ATOM 0 HD12 LEU A 129 13.602 -1.063 1.650 1.00 1.33 H new ATOM 0 HD13 LEU A 129 12.708 0.473 1.744 1.00 1.33 H new ATOM 0 HD21 LEU A 129 14.213 1.821 -0.564 1.00 1.13 H new ATOM 0 HD22 LEU A 129 13.849 2.608 0.990 1.00 1.13 H new ATOM 0 HD23 LEU A 129 15.527 2.530 0.403 1.00 1.13 H new ATOM 2156 N VAL A 130 17.315 3.159 1.496 1.00 0.42 N ATOM 2157 CA VAL A 130 17.578 4.577 1.328 1.00 0.46 C ATOM 2158 C VAL A 130 16.873 5.077 0.077 1.00 0.46 C ATOM 2159 O VAL A 130 17.150 4.633 -1.036 1.00 0.45 O ATOM 2160 CB VAL A 130 19.100 4.864 1.272 1.00 0.48 C ATOM 2161 CG1 VAL A 130 19.773 3.991 0.247 1.00 0.49 C ATOM 2162 CG2 VAL A 130 19.390 6.321 0.975 1.00 0.60 C ATOM 0 H VAL A 130 17.322 2.622 0.629 1.00 0.42 H new ATOM 0 HA VAL A 130 17.186 5.115 2.191 1.00 0.46 H new ATOM 0 HB VAL A 130 19.503 4.633 2.258 1.00 0.48 H new ATOM 0 HG11 VAL A 130 20.840 4.211 0.226 1.00 0.49 H new ATOM 0 HG12 VAL A 130 19.623 2.943 0.507 1.00 0.49 H new ATOM 0 HG13 VAL A 130 19.343 4.186 -0.736 1.00 0.49 H new ATOM 0 HG21 VAL A 130 20.468 6.479 0.945 1.00 0.60 H new ATOM 0 HG22 VAL A 130 18.957 6.589 0.011 1.00 0.60 H new ATOM 0 HG23 VAL A 130 18.954 6.945 1.755 1.00 0.60 H new ATOM 2172 N ARG A 131 15.925 5.972 0.266 1.00 0.48 N ATOM 2173 CA ARG A 131 15.132 6.458 -0.839 1.00 0.50 C ATOM 2174 C ARG A 131 15.634 7.806 -1.308 1.00 0.57 C ATOM 2175 O ARG A 131 15.347 8.838 -0.688 1.00 0.64 O ATOM 2176 CB ARG A 131 13.677 6.605 -0.417 1.00 0.54 C ATOM 2177 CG ARG A 131 13.086 5.374 0.234 1.00 0.51 C ATOM 2178 CD ARG A 131 11.617 5.589 0.534 1.00 0.62 C ATOM 2179 NE ARG A 131 10.819 5.676 -0.692 1.00 0.96 N ATOM 2180 CZ ARG A 131 9.914 4.773 -1.068 1.00 1.65 C ATOM 2181 NH1 ARG A 131 9.703 3.687 -0.329 1.00 2.18 N ATOM 2182 NH2 ARG A 131 9.220 4.960 -2.189 1.00 2.01 N ATOM 0 H ARG A 131 15.687 6.375 1.172 1.00 0.48 H new ATOM 0 HA ARG A 131 15.215 5.736 -1.651 1.00 0.50 H new ATOM 0 HB2 ARG A 131 13.596 7.442 0.277 1.00 0.54 H new ATOM 0 HB3 ARG A 131 13.081 6.859 -1.294 1.00 0.54 H new ATOM 0 HG2 ARG A 131 13.207 4.513 -0.424 1.00 0.51 H new ATOM 0 HG3 ARG A 131 13.623 5.149 1.156 1.00 0.51 H new ATOM 0 HD2 ARG A 131 11.248 4.769 1.151 1.00 0.62 H new ATOM 0 HD3 ARG A 131 11.494 6.504 1.113 1.00 0.62 H new ATOM 0 HE ARG A 131 10.966 6.483 -1.299 1.00 0.96 H new ATOM 0 HH11 ARG A 131 10.235 3.543 0.529 1.00 2.18 H new ATOM 0 HH12 ARG A 131 9.009 2.999 -0.621 1.00 2.18 H new ATOM 0 HH21 ARG A 131 9.382 5.792 -2.756 1.00 2.01 H new ATOM 0 HH22 ARG A 131 8.526 4.271 -2.480 1.00 2.01 H new ATOM 2196 N GLU A 132 16.354 7.809 -2.409 1.00 0.58 N ATOM 2197 CA GLU A 132 16.747 9.054 -3.020 1.00 0.66 C ATOM 2198 C GLU A 132 15.555 9.642 -3.747 1.00 0.73 C ATOM 2199 O GLU A 132 15.255 9.265 -4.887 1.00 0.74 O ATOM 2200 CB GLU A 132 17.925 8.860 -3.976 1.00 0.68 C ATOM 2201 CG GLU A 132 19.188 8.368 -3.293 1.00 0.64 C ATOM 2202 CD GLU A 132 20.412 8.504 -4.173 1.00 0.72 C ATOM 2203 OE1 GLU A 132 20.520 7.775 -5.180 1.00 0.90 O ATOM 2204 OE2 GLU A 132 21.276 9.347 -3.859 1.00 1.05 O ATOM 0 H GLU A 132 16.675 6.971 -2.893 1.00 0.58 H new ATOM 0 HA GLU A 132 17.077 9.742 -2.242 1.00 0.66 H new ATOM 0 HB2 GLU A 132 17.640 8.148 -4.750 1.00 0.68 H new ATOM 0 HB3 GLU A 132 18.137 9.806 -4.475 1.00 0.68 H new ATOM 0 HG2 GLU A 132 19.342 8.930 -2.372 1.00 0.64 H new ATOM 0 HG3 GLU A 132 19.061 7.323 -3.011 1.00 0.64 H new ATOM 2211 N LEU A 133 14.848 10.533 -3.067 1.00 0.80 N ATOM 2212 CA LEU A 133 13.611 11.058 -3.615 1.00 0.87 C ATOM 2213 C LEU A 133 13.838 12.337 -4.398 1.00 0.97 C ATOM 2214 O LEU A 133 14.957 12.830 -4.536 1.00 1.02 O ATOM 2215 CB LEU A 133 12.569 11.334 -2.527 1.00 0.92 C ATOM 2216 CG LEU A 133 12.266 10.180 -1.568 1.00 0.87 C ATOM 2217 CD1 LEU A 133 11.082 10.532 -0.677 1.00 0.97 C ATOM 2218 CD2 LEU A 133 11.986 8.899 -2.330 1.00 0.80 C ATOM 0 H LEU A 133 15.105 10.901 -2.151 1.00 0.80 H new ATOM 0 HA LEU A 133 13.235 10.284 -4.284 1.00 0.87 H new ATOM 0 HB2 LEU A 133 12.907 12.187 -1.939 1.00 0.92 H new ATOM 0 HB3 LEU A 133 11.638 11.629 -3.012 1.00 0.92 H new ATOM 0 HG LEU A 133 13.144 10.019 -0.943 1.00 0.87 H new ATOM 0 HD11 LEU A 133 10.877 9.703 0.000 1.00 0.97 H new ATOM 0 HD12 LEU A 133 11.316 11.425 -0.097 1.00 0.97 H new ATOM 0 HD13 LEU A 133 10.205 10.721 -1.296 1.00 0.97 H new ATOM 0 HD21 LEU A 133 11.774 8.095 -1.625 1.00 0.80 H new ATOM 0 HD22 LEU A 133 11.126 9.045 -2.983 1.00 0.80 H new ATOM 0 HD23 LEU A 133 12.857 8.635 -2.930 1.00 0.80 H new ATOM 2230 N MET A 134 12.734 12.871 -4.870 1.00 1.04 N ATOM 2231 CA MET A 134 12.701 14.106 -5.634 1.00 1.15 C ATOM 2232 C MET A 134 12.135 15.208 -4.759 1.00 1.22 C ATOM 2233 O MET A 134 11.861 16.316 -5.222 1.00 1.29 O ATOM 2234 CB MET A 134 11.819 13.912 -6.872 1.00 1.27 C ATOM 2235 CG MET A 134 10.549 13.113 -6.587 1.00 1.36 C ATOM 2236 SD MET A 134 9.440 13.920 -5.410 1.00 1.80 S ATOM 2237 CE MET A 134 8.309 12.587 -5.018 1.00 2.03 C ATOM 0 H MET A 134 11.814 12.454 -4.733 1.00 1.04 H new ATOM 0 HA MET A 134 13.707 14.378 -5.954 1.00 1.15 H new ATOM 0 HB2 MET A 134 11.544 14.888 -7.271 1.00 1.27 H new ATOM 0 HB3 MET A 134 12.395 13.403 -7.644 1.00 1.27 H new ATOM 0 HG2 MET A 134 10.015 12.948 -7.523 1.00 1.36 H new ATOM 0 HG3 MET A 134 10.825 12.132 -6.200 1.00 1.36 H new ATOM 0 HE1 MET A 134 7.284 12.922 -5.173 1.00 2.03 H new ATOM 0 HE2 MET A 134 8.514 11.734 -5.665 1.00 2.03 H new ATOM 0 HE3 MET A 134 8.441 12.292 -3.977 1.00 2.03 H new ATOM 2247 N GLU A 135 11.966 14.863 -3.486 1.00 1.27 N ATOM 2248 CA GLU A 135 11.267 15.693 -2.521 1.00 1.39 C ATOM 2249 C GLU A 135 11.753 17.132 -2.526 1.00 1.41 C ATOM 2250 O GLU A 135 12.894 17.424 -2.162 1.00 1.45 O ATOM 2251 CB GLU A 135 11.418 15.106 -1.124 1.00 1.48 C ATOM 2252 CG GLU A 135 10.119 14.593 -0.543 1.00 1.58 C ATOM 2253 CD GLU A 135 9.211 15.729 -0.128 1.00 1.83 C ATOM 2254 OE1 GLU A 135 8.795 16.507 -1.013 1.00 2.29 O ATOM 2255 OE2 GLU A 135 8.865 15.815 1.066 1.00 2.04 O ATOM 0 H GLU A 135 12.316 13.988 -3.095 1.00 1.27 H new ATOM 0 HA GLU A 135 10.217 15.704 -2.812 1.00 1.39 H new ATOM 0 HB2 GLU A 135 12.140 14.290 -1.157 1.00 1.48 H new ATOM 0 HB3 GLU A 135 11.828 15.867 -0.461 1.00 1.48 H new ATOM 0 HG2 GLU A 135 9.611 13.970 -1.279 1.00 1.58 H new ATOM 0 HG3 GLU A 135 10.330 13.960 0.319 1.00 1.58 H new ATOM 2262 N GLU A 136 10.866 18.015 -2.944 1.00 1.46 N ATOM 2263 CA GLU A 136 11.118 19.438 -2.922 1.00 1.52 C ATOM 2264 C GLU A 136 10.998 19.970 -1.498 1.00 1.52 C ATOM 2265 O GLU A 136 11.560 21.011 -1.162 1.00 1.59 O ATOM 2266 CB GLU A 136 10.117 20.137 -3.839 1.00 1.67 C ATOM 2267 CG GLU A 136 8.668 19.893 -3.445 1.00 1.73 C ATOM 2268 CD GLU A 136 7.682 20.534 -4.396 1.00 1.93 C ATOM 2269 OE1 GLU A 136 7.324 21.708 -4.184 1.00 2.12 O ATOM 2270 OE2 GLU A 136 7.254 19.863 -5.359 1.00 1.99 O ATOM 0 H GLU A 136 9.948 17.762 -3.309 1.00 1.46 H new ATOM 0 HA GLU A 136 12.130 19.636 -3.276 1.00 1.52 H new ATOM 0 HB2 GLU A 136 10.313 21.209 -3.829 1.00 1.67 H new ATOM 0 HB3 GLU A 136 10.271 19.794 -4.862 1.00 1.67 H new ATOM 0 HG2 GLU A 136 8.483 18.819 -3.408 1.00 1.73 H new ATOM 0 HG3 GLU A 136 8.500 20.281 -2.440 1.00 1.73 H new ATOM 2277 N LYS A 137 10.272 19.237 -0.661 1.00 1.53 N ATOM 2278 CA LYS A 137 10.045 19.651 0.713 1.00 1.61 C ATOM 2279 C LYS A 137 11.144 19.106 1.609 1.00 1.55 C ATOM 2280 O LYS A 137 11.809 19.851 2.327 1.00 1.63 O ATOM 2281 CB LYS A 137 8.691 19.143 1.213 1.00 1.72 C ATOM 2282 CG LYS A 137 7.518 19.486 0.310 1.00 1.83 C ATOM 2283 CD LYS A 137 6.232 18.870 0.833 1.00 2.14 C ATOM 2284 CE LYS A 137 5.069 19.090 -0.119 1.00 2.31 C ATOM 2285 NZ LYS A 137 4.763 20.533 -0.311 1.00 2.98 N ATOM 0 H LYS A 137 9.831 18.352 -0.913 1.00 1.53 H new ATOM 0 HA LYS A 137 10.051 20.740 0.746 1.00 1.61 H new ATOM 0 HB2 LYS A 137 8.742 18.060 1.326 1.00 1.72 H new ATOM 0 HB3 LYS A 137 8.504 19.558 2.204 1.00 1.72 H new ATOM 0 HG2 LYS A 137 7.408 20.569 0.246 1.00 1.83 H new ATOM 0 HG3 LYS A 137 7.714 19.126 -0.700 1.00 1.83 H new ATOM 0 HD2 LYS A 137 6.378 17.801 0.986 1.00 2.14 H new ATOM 0 HD3 LYS A 137 5.992 19.302 1.805 1.00 2.14 H new ATOM 0 HE2 LYS A 137 5.301 18.638 -1.084 1.00 2.31 H new ATOM 0 HE3 LYS A 137 4.185 18.581 0.267 1.00 2.31 H new ATOM 0 HZ1 LYS A 137 3.902 20.632 -0.886 1.00 2.98 H new ATOM 0 HZ2 LYS A 137 4.615 20.983 0.615 1.00 2.98 H new ATOM 0 HZ3 LYS A 137 5.558 20.995 -0.797 1.00 2.98 H new ATOM 2299 N LYS A 138 11.321 17.794 1.556 1.00 1.47 N ATOM 2300 CA LYS A 138 12.294 17.111 2.393 1.00 1.45 C ATOM 2301 C LYS A 138 13.717 17.314 1.884 1.00 1.34 C ATOM 2302 O LYS A 138 14.540 17.919 2.566 1.00 1.43 O ATOM 2303 CB LYS A 138 11.980 15.615 2.453 1.00 1.48 C ATOM 2304 CG LYS A 138 11.731 15.103 3.864 1.00 1.52 C ATOM 2305 CD LYS A 138 11.426 13.609 3.888 1.00 1.58 C ATOM 2306 CE LYS A 138 10.133 13.272 3.155 1.00 1.42 C ATOM 2307 NZ LYS A 138 8.940 13.915 3.772 1.00 1.76 N ATOM 0 H LYS A 138 10.797 17.177 0.935 1.00 1.47 H new ATOM 0 HA LYS A 138 12.227 17.542 3.392 1.00 1.45 H new ATOM 0 HB2 LYS A 138 11.101 15.411 1.841 1.00 1.48 H new ATOM 0 HB3 LYS A 138 12.809 15.060 2.015 1.00 1.48 H new ATOM 0 HG2 LYS A 138 12.607 15.304 4.481 1.00 1.52 H new ATOM 0 HG3 LYS A 138 10.898 15.650 4.305 1.00 1.52 H new ATOM 0 HD2 LYS A 138 12.253 13.064 3.432 1.00 1.58 H new ATOM 0 HD3 LYS A 138 11.354 13.272 4.922 1.00 1.58 H new ATOM 0 HE2 LYS A 138 10.216 13.590 2.116 1.00 1.42 H new ATOM 0 HE3 LYS A 138 9.995 12.191 3.148 1.00 1.42 H new ATOM 0 HZ1 LYS A 138 8.110 13.301 3.645 1.00 1.76 H new ATOM 0 HZ2 LYS A 138 9.111 14.061 4.788 1.00 1.76 H new ATOM 0 HZ3 LYS A 138 8.765 14.833 3.315 1.00 1.76 H new ATOM 2321 N ASP A 169 13.986 16.808 0.680 1.00 1.23 N ATOM 2322 CA ASP A 169 15.335 16.769 0.124 1.00 1.18 C ATOM 2323 C ASP A 169 16.212 15.926 1.024 1.00 1.11 C ATOM 2324 O ASP A 169 16.923 16.432 1.891 1.00 1.30 O ATOM 2325 CB ASP A 169 15.919 18.175 -0.048 1.00 1.35 C ATOM 2326 CG ASP A 169 17.224 18.176 -0.823 1.00 1.44 C ATOM 2327 OD1 ASP A 169 18.278 17.912 -0.208 1.00 1.59 O ATOM 2328 OD2 ASP A 169 17.205 18.427 -2.047 1.00 1.48 O ATOM 0 H ASP A 169 13.274 16.414 0.065 1.00 1.23 H new ATOM 0 HA ASP A 169 15.293 16.323 -0.870 1.00 1.18 H new ATOM 0 HB2 ASP A 169 15.194 18.804 -0.564 1.00 1.35 H new ATOM 0 HB3 ASP A 169 16.084 18.618 0.934 1.00 1.35 H new ATOM 2333 N GLU A 170 16.115 14.624 0.844 1.00 0.96 N ATOM 2334 CA GLU A 170 16.798 13.692 1.714 1.00 0.90 C ATOM 2335 C GLU A 170 17.057 12.371 1.010 1.00 0.78 C ATOM 2336 O GLU A 170 16.388 12.021 0.018 1.00 0.77 O ATOM 2337 CB GLU A 170 15.968 13.458 2.978 1.00 0.98 C ATOM 2338 CG GLU A 170 16.656 13.908 4.258 1.00 1.24 C ATOM 2339 CD GLU A 170 17.798 12.999 4.663 1.00 1.90 C ATOM 2340 OE1 GLU A 170 18.785 12.906 3.904 1.00 2.57 O ATOM 2341 OE2 GLU A 170 17.726 12.390 5.750 1.00 2.27 O ATOM 0 H GLU A 170 15.568 14.188 0.101 1.00 0.96 H new ATOM 0 HA GLU A 170 17.761 14.123 1.987 1.00 0.90 H new ATOM 0 HB2 GLU A 170 15.020 13.987 2.881 1.00 0.98 H new ATOM 0 HB3 GLU A 170 15.734 12.396 3.056 1.00 0.98 H new ATOM 0 HG2 GLU A 170 17.035 14.921 4.124 1.00 1.24 H new ATOM 0 HG3 GLU A 170 15.924 13.945 5.065 1.00 1.24 H new ATOM 2348 N LEU A 171 18.032 11.646 1.538 1.00 0.73 N ATOM 2349 CA LEU A 171 18.356 10.317 1.061 1.00 0.67 C ATOM 2350 C LEU A 171 17.331 9.339 1.578 1.00 0.62 C ATOM 2351 O LEU A 171 17.234 8.226 1.098 1.00 0.57 O ATOM 2352 CB LEU A 171 19.743 9.893 1.540 1.00 0.71 C ATOM 2353 CG LEU A 171 20.869 10.834 1.144 1.00 0.77 C ATOM 2354 CD1 LEU A 171 22.214 10.284 1.591 1.00 0.86 C ATOM 2355 CD2 LEU A 171 20.851 11.059 -0.357 1.00 0.74 C ATOM 0 H LEU A 171 18.619 11.966 2.309 1.00 0.73 H new ATOM 0 HA LEU A 171 18.351 10.327 -0.029 1.00 0.67 H new ATOM 0 HB2 LEU A 171 19.726 9.806 2.626 1.00 0.71 H new ATOM 0 HB3 LEU A 171 19.961 8.901 1.144 1.00 0.71 H new ATOM 0 HG LEU A 171 20.717 11.791 1.643 1.00 0.77 H new ATOM 0 HD11 LEU A 171 23.005 10.974 1.297 1.00 0.86 H new ATOM 0 HD12 LEU A 171 22.218 10.168 2.675 1.00 0.86 H new ATOM 0 HD13 LEU A 171 22.385 9.315 1.122 1.00 0.86 H new ATOM 0 HD21 LEU A 171 21.661 11.734 -0.633 1.00 0.74 H new ATOM 0 HD22 LEU A 171 20.983 10.106 -0.869 1.00 0.74 H new ATOM 0 HD23 LEU A 171 19.897 11.499 -0.648 1.00 0.74 H new ATOM 2367 N ASN A 172 16.578 9.786 2.572 1.00 0.65 N ATOM 2368 CA ASN A 172 15.538 8.981 3.193 1.00 0.63 C ATOM 2369 C ASN A 172 16.039 7.586 3.507 1.00 0.57 C ATOM 2370 O ASN A 172 15.633 6.615 2.862 1.00 0.53 O ATOM 2371 CB ASN A 172 14.296 8.893 2.301 1.00 0.65 C ATOM 2372 CG ASN A 172 13.541 10.200 2.215 1.00 0.75 C ATOM 2373 OD1 ASN A 172 12.792 10.564 3.119 1.00 0.90 O ATOM 2374 ND2 ASN A 172 13.688 10.884 1.100 1.00 0.80 N ATOM 0 H ASN A 172 16.672 10.720 2.971 1.00 0.65 H new ATOM 0 HA ASN A 172 15.265 9.475 4.126 1.00 0.63 H new ATOM 0 HB2 ASN A 172 14.595 8.585 1.299 1.00 0.65 H new ATOM 0 HB3 ASN A 172 13.632 8.120 2.687 1.00 0.65 H new ATOM 0 HD21 ASN A 172 13.170 11.751 0.962 1.00 0.80 H new ATOM 0 HD22 ASN A 172 14.320 10.547 0.374 1.00 0.80 H new ATOM 2381 N TRP A 173 16.900 7.472 4.501 1.00 0.58 N ATOM 2382 CA TRP A 173 17.400 6.177 4.897 1.00 0.55 C ATOM 2383 C TRP A 173 16.347 5.530 5.777 1.00 0.54 C ATOM 2384 O TRP A 173 16.223 5.865 6.959 1.00 0.61 O ATOM 2385 CB TRP A 173 18.717 6.306 5.669 1.00 0.60 C ATOM 2386 CG TRP A 173 19.913 6.613 4.824 1.00 0.63 C ATOM 2387 CD1 TRP A 173 20.315 7.840 4.388 1.00 0.72 C ATOM 2388 CD2 TRP A 173 20.883 5.677 4.340 1.00 0.64 C ATOM 2389 NE1 TRP A 173 21.466 7.725 3.653 1.00 0.78 N ATOM 2390 CE2 TRP A 173 21.836 6.407 3.608 1.00 0.73 C ATOM 2391 CE3 TRP A 173 21.035 4.292 4.452 1.00 0.65 C ATOM 2392 CZ2 TRP A 173 22.927 5.801 2.989 1.00 0.80 C ATOM 2393 CZ3 TRP A 173 22.118 3.690 3.840 1.00 0.73 C ATOM 2394 CH2 TRP A 173 23.052 4.445 3.116 1.00 0.79 C ATOM 0 H TRP A 173 17.263 8.256 5.043 1.00 0.58 H new ATOM 0 HA TRP A 173 17.597 5.571 4.013 1.00 0.55 H new ATOM 0 HB2 TRP A 173 18.608 7.091 6.417 1.00 0.60 H new ATOM 0 HB3 TRP A 173 18.899 5.376 6.207 1.00 0.60 H new ATOM 0 HD1 TRP A 173 19.801 8.768 4.592 1.00 0.72 H new ATOM 0 HE1 TRP A 173 21.966 8.496 3.211 1.00 0.78 H new ATOM 0 HE3 TRP A 173 20.319 3.703 5.007 1.00 0.65 H new ATOM 0 HZ2 TRP A 173 23.647 6.380 2.430 1.00 0.80 H new ATOM 0 HZ3 TRP A 173 22.247 2.621 3.921 1.00 0.73 H new ATOM 0 HH2 TRP A 173 23.888 3.945 2.649 1.00 0.79 H new ATOM 2405 N LEU A 174 15.557 4.650 5.186 1.00 0.49 N ATOM 2406 CA LEU A 174 14.448 4.031 5.877 1.00 0.49 C ATOM 2407 C LEU A 174 14.927 3.286 7.109 1.00 0.53 C ATOM 2408 O LEU A 174 15.696 2.315 7.011 1.00 0.56 O ATOM 2409 CB LEU A 174 13.692 3.080 4.958 1.00 0.48 C ATOM 2410 CG LEU A 174 13.005 3.712 3.744 1.00 0.50 C ATOM 2411 CD1 LEU A 174 11.998 2.735 3.168 1.00 0.52 C ATOM 2412 CD2 LEU A 174 12.336 5.031 4.110 1.00 0.54 C ATOM 0 H LEU A 174 15.669 4.348 4.218 1.00 0.49 H new ATOM 0 HA LEU A 174 13.770 4.826 6.188 1.00 0.49 H new ATOM 0 HB2 LEU A 174 14.390 2.323 4.600 1.00 0.48 H new ATOM 0 HB3 LEU A 174 12.936 2.563 5.548 1.00 0.48 H new ATOM 0 HG LEU A 174 13.761 3.933 2.990 1.00 0.50 H new ATOM 0 HD11 LEU A 174 11.509 3.184 2.304 1.00 0.52 H new ATOM 0 HD12 LEU A 174 12.510 1.823 2.862 1.00 0.52 H new ATOM 0 HD13 LEU A 174 11.251 2.495 3.924 1.00 0.52 H new ATOM 0 HD21 LEU A 174 11.858 5.454 3.227 1.00 0.54 H new ATOM 0 HD22 LEU A 174 11.585 4.857 4.881 1.00 0.54 H new ATOM 0 HD23 LEU A 174 13.086 5.728 4.485 1.00 0.54 H new ATOM 2424 N ASP A 175 14.419 3.743 8.251 1.00 0.61 N ATOM 2425 CA ASP A 175 14.854 3.296 9.570 1.00 0.72 C ATOM 2426 C ASP A 175 14.228 1.964 9.958 1.00 0.68 C ATOM 2427 O ASP A 175 14.563 1.403 11.000 1.00 0.75 O ATOM 2428 CB ASP A 175 14.473 4.351 10.608 1.00 0.93 C ATOM 2429 CG ASP A 175 12.977 4.594 10.638 1.00 1.83 C ATOM 2430 OD1 ASP A 175 12.473 5.319 9.753 1.00 2.56 O ATOM 2431 OD2 ASP A 175 12.300 4.034 11.523 1.00 2.37 O ATOM 0 H ASP A 175 13.681 4.446 8.285 1.00 0.61 H new ATOM 0 HA ASP A 175 15.935 3.159 9.536 1.00 0.72 H new ATOM 0 HB2 ASP A 175 14.809 4.030 11.594 1.00 0.93 H new ATOM 0 HB3 ASP A 175 14.989 5.285 10.384 1.00 0.93 H new ATOM 2436 N HIS A 176 13.304 1.485 9.126 1.00 0.66 N ATOM 2437 CA HIS A 176 12.636 0.192 9.325 1.00 0.71 C ATOM 2438 C HIS A 176 11.514 0.263 10.357 1.00 0.83 C ATOM 2439 O HIS A 176 10.677 -0.634 10.422 1.00 1.10 O ATOM 2440 CB HIS A 176 13.630 -0.912 9.713 1.00 0.71 C ATOM 2441 CG HIS A 176 14.487 -1.380 8.580 1.00 0.69 C ATOM 2442 ND1 HIS A 176 14.107 -2.387 7.730 1.00 0.77 N ATOM 2443 CD2 HIS A 176 15.702 -0.968 8.152 1.00 0.67 C ATOM 2444 CE1 HIS A 176 15.048 -2.576 6.827 1.00 0.76 C ATOM 2445 NE2 HIS A 176 16.034 -1.730 7.058 1.00 0.69 N ATOM 0 H HIS A 176 12.994 1.982 8.291 1.00 0.66 H new ATOM 0 HA HIS A 176 12.191 -0.060 8.362 1.00 0.71 H new ATOM 0 HB2 HIS A 176 14.272 -0.545 10.514 1.00 0.71 H new ATOM 0 HB3 HIS A 176 13.077 -1.762 10.113 1.00 0.71 H new ATOM 0 HD1 HIS A 176 13.232 -2.908 7.788 1.00 0.77 H new ATOM 0 HD2 HIS A 176 16.301 -0.184 8.590 1.00 0.67 H new ATOM 0 HE1 HIS A 176 15.017 -3.303 6.029 1.00 0.76 H new ATOM 2454 N GLY A 177 11.467 1.335 11.130 1.00 0.82 N ATOM 2455 CA GLY A 177 10.480 1.436 12.190 1.00 0.96 C ATOM 2456 C GLY A 177 9.386 2.423 11.857 1.00 1.00 C ATOM 2457 O GLY A 177 8.652 2.878 12.738 1.00 1.34 O ATOM 0 H GLY A 177 12.092 2.137 11.045 1.00 0.82 H new ATOM 0 HA2 GLY A 177 10.040 0.455 12.369 1.00 0.96 H new ATOM 0 HA3 GLY A 177 10.972 1.739 13.115 1.00 0.96 H new ATOM 2461 N ARG A 178 9.283 2.764 10.584 1.00 0.90 N ATOM 2462 CA ARG A 178 8.304 3.733 10.125 1.00 0.99 C ATOM 2463 C ARG A 178 7.726 3.324 8.769 1.00 0.87 C ATOM 2464 O ARG A 178 8.383 2.627 7.993 1.00 0.86 O ATOM 2465 CB ARG A 178 8.974 5.105 10.061 1.00 1.22 C ATOM 2466 CG ARG A 178 8.256 6.136 9.215 1.00 1.27 C ATOM 2467 CD ARG A 178 8.936 7.485 9.335 1.00 1.18 C ATOM 2468 NE ARG A 178 10.389 7.347 9.373 1.00 1.23 N ATOM 2469 CZ ARG A 178 11.242 8.366 9.402 1.00 1.74 C ATOM 2470 NH1 ARG A 178 10.805 9.618 9.323 1.00 2.16 N ATOM 2471 NH2 ARG A 178 12.540 8.128 9.502 1.00 2.18 N ATOM 0 H ARG A 178 9.871 2.380 9.844 1.00 0.90 H new ATOM 0 HA ARG A 178 7.467 3.775 10.822 1.00 0.99 H new ATOM 0 HB2 ARG A 178 9.068 5.493 11.075 1.00 1.22 H new ATOM 0 HB3 ARG A 178 9.985 4.980 9.672 1.00 1.22 H new ATOM 0 HG2 ARG A 178 8.247 5.818 8.173 1.00 1.27 H new ATOM 0 HG3 ARG A 178 7.216 6.216 9.533 1.00 1.27 H new ATOM 0 HD2 ARG A 178 8.651 8.114 8.492 1.00 1.18 H new ATOM 0 HD3 ARG A 178 8.593 7.988 10.239 1.00 1.18 H new ATOM 0 HE ARG A 178 10.776 6.403 9.378 1.00 1.23 H new ATOM 0 HH11 ARG A 178 9.806 9.805 9.239 1.00 2.16 H new ATOM 0 HH12 ARG A 178 11.469 10.392 9.346 1.00 2.16 H new ATOM 0 HH21 ARG A 178 12.880 7.168 9.556 1.00 2.18 H new ATOM 0 HH22 ARG A 178 13.201 8.905 9.525 1.00 2.18 H new ATOM 2485 N THR A 179 6.490 3.739 8.505 1.00 0.91 N ATOM 2486 CA THR A 179 5.820 3.409 7.255 1.00 0.89 C ATOM 2487 C THR A 179 6.178 4.411 6.152 1.00 0.86 C ATOM 2488 O THR A 179 6.939 5.357 6.370 1.00 0.91 O ATOM 2489 CB THR A 179 4.285 3.343 7.441 1.00 1.05 C ATOM 2490 OG1 THR A 179 3.646 2.898 6.234 1.00 1.20 O ATOM 2491 CG2 THR A 179 3.722 4.696 7.842 1.00 1.11 C ATOM 0 H THR A 179 5.932 4.306 9.144 1.00 0.91 H new ATOM 0 HA THR A 179 6.171 2.423 6.950 1.00 0.89 H new ATOM 0 HB THR A 179 4.083 2.629 8.239 1.00 1.05 H new ATOM 0 HG1 THR A 179 3.202 3.656 5.800 1.00 1.20 H new ATOM 0 HG21 THR A 179 2.642 4.619 7.965 1.00 1.11 H new ATOM 0 HG22 THR A 179 4.173 5.013 8.782 1.00 1.11 H new ATOM 0 HG23 THR A 179 3.947 5.428 7.066 1.00 1.11 H new ATOM 2499 N LEU A 180 5.610 4.205 4.976 1.00 0.84 N ATOM 2500 CA LEU A 180 6.001 4.940 3.786 1.00 0.84 C ATOM 2501 C LEU A 180 5.117 6.162 3.564 1.00 0.93 C ATOM 2502 O LEU A 180 5.612 7.235 3.210 1.00 0.97 O ATOM 2503 CB LEU A 180 5.949 3.996 2.593 1.00 0.85 C ATOM 2504 CG LEU A 180 6.749 2.710 2.795 1.00 0.83 C ATOM 2505 CD1 LEU A 180 6.570 1.769 1.619 1.00 1.08 C ATOM 2506 CD2 LEU A 180 8.219 3.029 3.017 1.00 0.90 C ATOM 0 H LEU A 180 4.866 3.525 4.820 1.00 0.84 H new ATOM 0 HA LEU A 180 7.017 5.314 3.913 1.00 0.84 H new ATOM 0 HB2 LEU A 180 4.910 3.739 2.389 1.00 0.85 H new ATOM 0 HB3 LEU A 180 6.328 4.515 1.713 1.00 0.85 H new ATOM 0 HG LEU A 180 6.369 2.207 3.684 1.00 0.83 H new ATOM 0 HD11 LEU A 180 7.150 0.861 1.788 1.00 1.08 H new ATOM 0 HD12 LEU A 180 5.516 1.512 1.516 1.00 1.08 H new ATOM 0 HD13 LEU A 180 6.916 2.256 0.707 1.00 1.08 H new ATOM 0 HD21 LEU A 180 8.775 2.102 3.159 1.00 0.90 H new ATOM 0 HD22 LEU A 180 8.612 3.558 2.149 1.00 0.90 H new ATOM 0 HD23 LEU A 180 8.326 3.656 3.902 1.00 0.90 H new ATOM 2518 N ARG A 181 3.815 6.004 3.791 1.00 1.02 N ATOM 2519 CA ARG A 181 2.874 7.122 3.696 1.00 1.13 C ATOM 2520 C ARG A 181 3.243 8.211 4.691 1.00 1.18 C ATOM 2521 O ARG A 181 2.943 9.382 4.491 1.00 1.36 O ATOM 2522 CB ARG A 181 1.450 6.647 3.972 1.00 1.22 C ATOM 2523 CG ARG A 181 0.584 6.523 2.731 1.00 1.15 C ATOM 2524 CD ARG A 181 -0.752 5.880 3.064 1.00 0.69 C ATOM 2525 NE ARG A 181 -0.575 4.507 3.528 1.00 1.10 N ATOM 2526 CZ ARG A 181 -0.868 4.084 4.756 1.00 2.02 C ATOM 2527 NH1 ARG A 181 -1.474 4.890 5.619 1.00 2.54 N ATOM 2528 NH2 ARG A 181 -0.573 2.841 5.110 1.00 2.64 N ATOM 0 H ARG A 181 3.386 5.113 4.042 1.00 1.02 H new ATOM 0 HA ARG A 181 2.928 7.525 2.685 1.00 1.13 H new ATOM 0 HB2 ARG A 181 1.492 5.678 4.470 1.00 1.22 H new ATOM 0 HB3 ARG A 181 0.975 7.342 4.665 1.00 1.22 H new ATOM 0 HG2 ARG A 181 0.419 7.509 2.298 1.00 1.15 H new ATOM 0 HG3 ARG A 181 1.102 5.927 1.979 1.00 1.15 H new ATOM 0 HD2 ARG A 181 -1.258 6.464 3.832 1.00 0.69 H new ATOM 0 HD3 ARG A 181 -1.393 5.889 2.182 1.00 0.69 H new ATOM 0 HE ARG A 181 -0.202 3.826 2.867 1.00 1.10 H new ATOM 0 HH11 ARG A 181 -1.719 5.841 5.343 1.00 2.54 H new ATOM 0 HH12 ARG A 181 -1.695 4.558 6.558 1.00 2.54 H new ATOM 0 HH21 ARG A 181 -0.124 2.214 4.443 1.00 2.64 H new ATOM 0 HH22 ARG A 181 -0.795 2.512 6.050 1.00 2.64 H new ATOM 2542 N GLU A 182 3.919 7.802 5.748 1.00 1.11 N ATOM 2543 CA GLU A 182 4.334 8.700 6.814 1.00 1.18 C ATOM 2544 C GLU A 182 5.429 9.642 6.319 1.00 1.16 C ATOM 2545 O GLU A 182 5.632 10.725 6.866 1.00 1.25 O ATOM 2546 CB GLU A 182 4.862 7.851 7.975 1.00 1.25 C ATOM 2547 CG GLU A 182 5.044 8.585 9.286 1.00 1.34 C ATOM 2548 CD GLU A 182 3.908 8.328 10.251 1.00 1.89 C ATOM 2549 OE1 GLU A 182 2.867 9.007 10.131 1.00 2.31 O ATOM 2550 OE2 GLU A 182 4.046 7.453 11.132 1.00 2.30 O ATOM 0 H GLU A 182 4.198 6.832 5.894 1.00 1.11 H new ATOM 0 HA GLU A 182 3.488 9.305 7.140 1.00 1.18 H new ATOM 0 HB2 GLU A 182 4.176 7.019 8.136 1.00 1.25 H new ATOM 0 HB3 GLU A 182 5.820 7.422 7.682 1.00 1.25 H new ATOM 0 HG2 GLU A 182 5.984 8.277 9.745 1.00 1.34 H new ATOM 0 HG3 GLU A 182 5.119 9.655 9.093 1.00 1.34 H new ATOM 2557 N GLN A 183 6.121 9.219 5.271 1.00 1.07 N ATOM 2558 CA GLN A 183 7.245 9.972 4.735 1.00 1.06 C ATOM 2559 C GLN A 183 6.868 10.658 3.427 1.00 1.13 C ATOM 2560 O GLN A 183 7.614 11.489 2.916 1.00 1.22 O ATOM 2561 CB GLN A 183 8.433 9.032 4.533 1.00 1.00 C ATOM 2562 CG GLN A 183 8.971 8.481 5.838 1.00 1.00 C ATOM 2563 CD GLN A 183 9.965 7.366 5.629 1.00 1.04 C ATOM 2564 OE1 GLN A 183 11.167 7.597 5.531 1.00 1.65 O ATOM 2565 NE2 GLN A 183 9.459 6.149 5.549 1.00 0.81 N ATOM 0 H GLN A 183 5.922 8.352 4.772 1.00 1.07 H new ATOM 0 HA GLN A 183 7.522 10.751 5.445 1.00 1.06 H new ATOM 0 HB2 GLN A 183 8.131 8.205 3.891 1.00 1.00 H new ATOM 0 HB3 GLN A 183 9.229 9.565 4.013 1.00 1.00 H new ATOM 0 HG2 GLN A 183 9.445 9.285 6.400 1.00 1.00 H new ATOM 0 HG3 GLN A 183 8.142 8.115 6.443 1.00 1.00 H new ATOM 0 HE21 GLN A 183 8.453 6.008 5.637 1.00 0.81 H new ATOM 0 HE22 GLN A 183 10.075 5.350 5.399 1.00 0.81 H new ATOM 2574 N GLY A 184 5.704 10.302 2.896 1.00 1.16 N ATOM 2575 CA GLY A 184 5.220 10.924 1.678 1.00 1.28 C ATOM 2576 C GLY A 184 6.033 10.531 0.461 1.00 1.23 C ATOM 2577 O GLY A 184 6.326 11.366 -0.394 1.00 1.38 O ATOM 0 H GLY A 184 5.086 9.592 3.288 1.00 1.16 H new ATOM 0 HA2 GLY A 184 4.178 10.644 1.521 1.00 1.28 H new ATOM 0 HA3 GLY A 184 5.245 12.008 1.793 1.00 1.28 H new ATOM 2581 N VAL A 185 6.410 9.264 0.396 1.00 1.10 N ATOM 2582 CA VAL A 185 7.172 8.753 -0.731 1.00 1.08 C ATOM 2583 C VAL A 185 6.249 8.315 -1.871 1.00 1.02 C ATOM 2584 O VAL A 185 5.139 7.831 -1.634 1.00 1.15 O ATOM 2585 CB VAL A 185 8.057 7.572 -0.290 1.00 1.13 C ATOM 2586 CG1 VAL A 185 9.024 8.021 0.797 1.00 1.31 C ATOM 2587 CG2 VAL A 185 7.208 6.409 0.204 1.00 1.14 C ATOM 0 H VAL A 185 6.200 8.569 1.113 1.00 1.10 H new ATOM 0 HA VAL A 185 7.808 9.560 -1.096 1.00 1.08 H new ATOM 0 HB VAL A 185 8.628 7.230 -1.153 1.00 1.13 H new ATOM 0 HG11 VAL A 185 9.645 7.179 1.102 1.00 1.31 H new ATOM 0 HG12 VAL A 185 9.659 8.819 0.412 1.00 1.31 H new ATOM 0 HG13 VAL A 185 8.461 8.387 1.656 1.00 1.31 H new ATOM 0 HG21 VAL A 185 7.857 5.588 0.509 1.00 1.14 H new ATOM 0 HG22 VAL A 185 6.608 6.732 1.054 1.00 1.14 H new ATOM 0 HG23 VAL A 185 6.550 6.072 -0.597 1.00 1.14 H new ATOM 2597 N GLU A 186 6.716 8.480 -3.102 1.00 0.93 N ATOM 2598 CA GLU A 186 5.932 8.144 -4.280 1.00 0.92 C ATOM 2599 C GLU A 186 6.471 6.878 -4.933 1.00 0.83 C ATOM 2600 O GLU A 186 7.242 6.125 -4.323 1.00 0.82 O ATOM 2601 CB GLU A 186 5.969 9.298 -5.282 1.00 1.02 C ATOM 2602 CG GLU A 186 5.178 10.511 -4.857 1.00 1.46 C ATOM 2603 CD GLU A 186 3.687 10.283 -4.974 1.00 2.45 C ATOM 2604 OE1 GLU A 186 3.184 10.255 -6.120 1.00 2.97 O ATOM 2605 OE2 GLU A 186 3.010 10.127 -3.939 1.00 3.02 O ATOM 0 H GLU A 186 7.644 8.849 -3.310 1.00 0.93 H new ATOM 0 HA GLU A 186 4.901 7.970 -3.972 1.00 0.92 H new ATOM 0 HB2 GLU A 186 7.006 9.592 -5.442 1.00 1.02 H new ATOM 0 HB3 GLU A 186 5.586 8.945 -6.240 1.00 1.02 H new ATOM 0 HG2 GLU A 186 5.427 10.763 -3.826 1.00 1.46 H new ATOM 0 HG3 GLU A 186 5.464 11.364 -5.472 1.00 1.46 H new ATOM 2612 N GLU A 187 6.057 6.637 -6.166 1.00 0.89 N ATOM 2613 CA GLU A 187 6.457 5.445 -6.885 1.00 0.91 C ATOM 2614 C GLU A 187 7.325 5.792 -8.092 1.00 0.91 C ATOM 2615 O GLU A 187 7.419 5.008 -9.038 1.00 1.14 O ATOM 2616 CB GLU A 187 5.220 4.677 -7.355 1.00 1.05 C ATOM 2617 CG GLU A 187 4.324 4.175 -6.234 1.00 1.11 C ATOM 2618 CD GLU A 187 3.304 5.200 -5.784 1.00 1.36 C ATOM 2619 OE1 GLU A 187 2.304 5.409 -6.498 1.00 1.72 O ATOM 2620 OE2 GLU A 187 3.504 5.808 -4.714 1.00 1.86 O ATOM 0 H GLU A 187 5.440 7.257 -6.690 1.00 0.89 H new ATOM 0 HA GLU A 187 7.041 4.825 -6.205 1.00 0.91 H new ATOM 0 HB2 GLU A 187 4.634 5.323 -8.009 1.00 1.05 H new ATOM 0 HB3 GLU A 187 5.543 3.825 -7.954 1.00 1.05 H new ATOM 0 HG2 GLU A 187 3.805 3.276 -6.567 1.00 1.11 H new ATOM 0 HG3 GLU A 187 4.942 3.889 -5.383 1.00 1.11 H new ATOM 2627 N HIS A 188 7.973 6.952 -8.066 1.00 0.92 N ATOM 2628 CA HIS A 188 8.762 7.382 -9.219 1.00 0.95 C ATOM 2629 C HIS A 188 10.189 7.782 -8.847 1.00 0.92 C ATOM 2630 O HIS A 188 11.006 8.052 -9.725 1.00 1.01 O ATOM 2631 CB HIS A 188 8.059 8.510 -9.991 1.00 1.04 C ATOM 2632 CG HIS A 188 7.571 9.663 -9.161 1.00 1.03 C ATOM 2633 ND1 HIS A 188 6.235 9.908 -8.950 1.00 1.09 N ATOM 2634 CD2 HIS A 188 8.233 10.672 -8.547 1.00 1.08 C ATOM 2635 CE1 HIS A 188 6.095 11.017 -8.254 1.00 1.14 C ATOM 2636 NE2 HIS A 188 7.290 11.507 -7.994 1.00 1.15 N ATOM 0 H HIS A 188 7.970 7.600 -7.278 1.00 0.92 H new ATOM 0 HA HIS A 188 8.840 6.515 -9.874 1.00 0.95 H new ATOM 0 HB2 HIS A 188 8.748 8.894 -10.744 1.00 1.04 H new ATOM 0 HB3 HIS A 188 7.209 8.085 -10.524 1.00 1.04 H new ATOM 0 HD1 HIS A 188 5.470 9.321 -9.282 1.00 1.09 H new ATOM 0 HD2 HIS A 188 9.305 10.798 -8.500 1.00 1.08 H new ATOM 0 HE1 HIS A 188 5.156 11.453 -7.947 1.00 1.14 H new ATOM 2645 N GLU A 189 10.489 7.831 -7.561 1.00 0.89 N ATOM 2646 CA GLU A 189 11.853 8.091 -7.110 1.00 0.92 C ATOM 2647 C GLU A 189 12.624 6.782 -7.011 1.00 0.78 C ATOM 2648 O GLU A 189 12.037 5.734 -6.744 1.00 0.74 O ATOM 2649 CB GLU A 189 11.868 8.782 -5.745 1.00 1.10 C ATOM 2650 CG GLU A 189 10.796 9.844 -5.559 1.00 1.37 C ATOM 2651 CD GLU A 189 9.462 9.258 -5.144 1.00 1.82 C ATOM 2652 OE1 GLU A 189 8.695 8.839 -6.034 1.00 2.34 O ATOM 2653 OE2 GLU A 189 9.182 9.211 -3.930 1.00 2.38 O ATOM 0 H GLU A 189 9.812 7.695 -6.810 1.00 0.89 H new ATOM 0 HA GLU A 189 12.323 8.751 -7.839 1.00 0.92 H new ATOM 0 HB2 GLU A 189 11.750 8.026 -4.969 1.00 1.10 H new ATOM 0 HB3 GLU A 189 12.845 9.241 -5.596 1.00 1.10 H new ATOM 0 HG2 GLU A 189 11.125 10.559 -4.805 1.00 1.37 H new ATOM 0 HG3 GLU A 189 10.672 10.397 -6.490 1.00 1.37 H new ATOM 2660 N THR A 190 13.927 6.832 -7.250 1.00 0.74 N ATOM 2661 CA THR A 190 14.755 5.642 -7.135 1.00 0.66 C ATOM 2662 C THR A 190 15.089 5.341 -5.676 1.00 0.57 C ATOM 2663 O THR A 190 15.653 6.175 -4.966 1.00 0.61 O ATOM 2664 CB THR A 190 16.059 5.784 -7.948 1.00 0.70 C ATOM 2665 OG1 THR A 190 15.751 6.050 -9.325 1.00 0.81 O ATOM 2666 CG2 THR A 190 16.895 4.515 -7.859 1.00 0.66 C ATOM 0 H THR A 190 14.429 7.677 -7.522 1.00 0.74 H new ATOM 0 HA THR A 190 14.179 4.811 -7.542 1.00 0.66 H new ATOM 0 HB THR A 190 16.630 6.613 -7.530 1.00 0.70 H new ATOM 0 HG1 THR A 190 16.583 6.141 -9.835 1.00 0.81 H new ATOM 0 HG21 THR A 190 17.809 4.640 -8.440 1.00 0.66 H new ATOM 0 HG22 THR A 190 17.151 4.320 -6.818 1.00 0.66 H new ATOM 0 HG23 THR A 190 16.325 3.675 -8.256 1.00 0.66 H new ATOM 2674 N LEU A 191 14.734 4.142 -5.236 1.00 0.48 N ATOM 2675 CA LEU A 191 15.004 3.720 -3.870 1.00 0.42 C ATOM 2676 C LEU A 191 16.112 2.676 -3.903 1.00 0.39 C ATOM 2677 O LEU A 191 16.107 1.795 -4.762 1.00 0.38 O ATOM 2678 CB LEU A 191 13.754 3.128 -3.193 1.00 0.41 C ATOM 2679 CG LEU A 191 12.441 3.926 -3.320 1.00 0.51 C ATOM 2680 CD1 LEU A 191 12.690 5.424 -3.356 1.00 1.01 C ATOM 2681 CD2 LEU A 191 11.651 3.483 -4.539 1.00 0.82 C ATOM 0 H LEU A 191 14.258 3.444 -5.807 1.00 0.48 H new ATOM 0 HA LEU A 191 15.305 4.591 -3.288 1.00 0.42 H new ATOM 0 HB2 LEU A 191 13.586 2.133 -3.605 1.00 0.41 H new ATOM 0 HB3 LEU A 191 13.972 3.002 -2.132 1.00 0.41 H new ATOM 0 HG LEU A 191 11.848 3.714 -2.430 1.00 0.51 H new ATOM 0 HD11 LEU A 191 11.739 5.949 -3.446 1.00 1.01 H new ATOM 0 HD12 LEU A 191 13.189 5.732 -2.437 1.00 1.01 H new ATOM 0 HD13 LEU A 191 13.321 5.667 -4.211 1.00 1.01 H new ATOM 0 HD21 LEU A 191 10.730 4.061 -4.605 1.00 0.82 H new ATOM 0 HD22 LEU A 191 12.247 3.645 -5.437 1.00 0.82 H new ATOM 0 HD23 LEU A 191 11.409 2.424 -4.451 1.00 0.82 H new ATOM 2693 N LEU A 192 17.070 2.765 -2.998 1.00 0.39 N ATOM 2694 CA LEU A 192 18.236 1.902 -3.065 1.00 0.41 C ATOM 2695 C LEU A 192 18.293 0.969 -1.865 1.00 0.40 C ATOM 2696 O LEU A 192 17.989 1.367 -0.738 1.00 0.44 O ATOM 2697 CB LEU A 192 19.506 2.751 -3.095 1.00 0.44 C ATOM 2698 CG LEU A 192 19.357 4.116 -3.768 1.00 0.49 C ATOM 2699 CD1 LEU A 192 20.551 4.994 -3.452 1.00 0.56 C ATOM 2700 CD2 LEU A 192 19.196 3.961 -5.269 1.00 0.50 C ATOM 0 H LEU A 192 17.065 3.419 -2.215 1.00 0.39 H new ATOM 0 HA LEU A 192 18.163 1.304 -3.973 1.00 0.41 H new ATOM 0 HB2 LEU A 192 19.847 2.903 -2.071 1.00 0.44 H new ATOM 0 HB3 LEU A 192 20.286 2.192 -3.611 1.00 0.44 H new ATOM 0 HG LEU A 192 18.460 4.594 -3.376 1.00 0.49 H new ATOM 0 HD11 LEU A 192 20.430 5.962 -3.938 1.00 0.56 H new ATOM 0 HD12 LEU A 192 20.623 5.136 -2.374 1.00 0.56 H new ATOM 0 HD13 LEU A 192 21.460 4.516 -3.816 1.00 0.56 H new ATOM 0 HD21 LEU A 192 19.092 4.944 -5.727 1.00 0.50 H new ATOM 0 HD22 LEU A 192 20.073 3.461 -5.679 1.00 0.50 H new ATOM 0 HD23 LEU A 192 18.307 3.366 -5.480 1.00 0.50 H new ATOM 2712 N LEU A 193 18.660 -0.274 -2.117 1.00 0.43 N ATOM 2713 CA LEU A 193 18.925 -1.226 -1.054 1.00 0.50 C ATOM 2714 C LEU A 193 20.402 -1.142 -0.669 1.00 0.47 C ATOM 2715 O LEU A 193 21.276 -1.241 -1.529 1.00 0.49 O ATOM 2716 CB LEU A 193 18.539 -2.636 -1.534 1.00 0.68 C ATOM 2717 CG LEU A 193 18.613 -3.758 -0.493 1.00 0.44 C ATOM 2718 CD1 LEU A 193 17.598 -4.839 -0.821 1.00 1.09 C ATOM 2719 CD2 LEU A 193 20.003 -4.366 -0.454 1.00 1.03 C ATOM 0 H LEU A 193 18.782 -0.650 -3.057 1.00 0.43 H new ATOM 0 HA LEU A 193 18.331 -0.997 -0.170 1.00 0.50 H new ATOM 0 HB2 LEU A 193 17.521 -2.597 -1.922 1.00 0.68 H new ATOM 0 HB3 LEU A 193 19.188 -2.902 -2.368 1.00 0.68 H new ATOM 0 HG LEU A 193 18.389 -3.331 0.484 1.00 0.44 H new ATOM 0 HD11 LEU A 193 17.658 -5.632 -0.076 1.00 1.09 H new ATOM 0 HD12 LEU A 193 16.596 -4.411 -0.815 1.00 1.09 H new ATOM 0 HD13 LEU A 193 17.811 -5.251 -1.807 1.00 1.09 H new ATOM 0 HD21 LEU A 193 20.032 -5.160 0.292 1.00 1.03 H new ATOM 0 HD22 LEU A 193 20.247 -4.779 -1.433 1.00 1.03 H new ATOM 0 HD23 LEU A 193 20.730 -3.596 -0.193 1.00 1.03 H new ATOM 2731 N ARG A 194 20.677 -0.934 0.613 1.00 0.46 N ATOM 2732 CA ARG A 194 22.047 -0.764 1.083 1.00 0.46 C ATOM 2733 C ARG A 194 22.380 -1.806 2.130 1.00 0.44 C ATOM 2734 O ARG A 194 21.530 -2.179 2.937 1.00 0.49 O ATOM 2735 CB ARG A 194 22.248 0.624 1.693 1.00 0.53 C ATOM 2736 CG ARG A 194 22.050 1.771 0.721 1.00 0.60 C ATOM 2737 CD ARG A 194 23.116 1.806 -0.361 1.00 0.65 C ATOM 2738 NE ARG A 194 24.469 1.795 0.197 1.00 0.69 N ATOM 2739 CZ ARG A 194 25.531 2.315 -0.416 1.00 0.95 C ATOM 2740 NH1 ARG A 194 25.398 2.940 -1.581 1.00 1.25 N ATOM 2741 NH2 ARG A 194 26.729 2.220 0.145 1.00 1.06 N ATOM 0 H ARG A 194 19.970 -0.879 1.346 1.00 0.46 H new ATOM 0 HA ARG A 194 22.706 -0.879 0.222 1.00 0.46 H new ATOM 0 HB2 ARG A 194 21.555 0.745 2.525 1.00 0.53 H new ATOM 0 HB3 ARG A 194 23.255 0.684 2.106 1.00 0.53 H new ATOM 0 HG2 ARG A 194 21.068 1.684 0.256 1.00 0.60 H new ATOM 0 HG3 ARG A 194 22.061 2.713 1.269 1.00 0.60 H new ATOM 0 HD2 ARG A 194 22.990 0.948 -1.021 1.00 0.65 H new ATOM 0 HD3 ARG A 194 22.983 2.700 -0.971 1.00 0.65 H new ATOM 0 HE ARG A 194 24.607 1.363 1.111 1.00 0.69 H new ATOM 0 HH11 ARG A 194 24.478 3.024 -2.012 1.00 1.25 H new ATOM 0 HH12 ARG A 194 26.216 3.335 -2.044 1.00 1.25 H new ATOM 0 HH21 ARG A 194 26.835 1.750 1.044 1.00 1.06 H new ATOM 0 HH22 ARG A 194 27.544 2.617 -0.322 1.00 1.06 H new ATOM 2755 N ARG A 195 23.615 -2.266 2.128 1.00 0.45 N ATOM 2756 CA ARG A 195 24.048 -3.243 3.104 1.00 0.50 C ATOM 2757 C ARG A 195 24.520 -2.541 4.370 1.00 0.55 C ATOM 2758 O ARG A 195 25.482 -1.770 4.345 1.00 0.64 O ATOM 2759 CB ARG A 195 25.155 -4.123 2.528 1.00 0.59 C ATOM 2760 CG ARG A 195 25.279 -5.455 3.242 1.00 1.02 C ATOM 2761 CD ARG A 195 26.224 -6.396 2.524 1.00 1.07 C ATOM 2762 NE ARG A 195 26.032 -7.775 2.959 1.00 1.49 N ATOM 2763 CZ ARG A 195 26.682 -8.822 2.454 1.00 2.13 C ATOM 2764 NH1 ARG A 195 27.649 -8.655 1.558 1.00 2.34 N ATOM 2765 NH2 ARG A 195 26.364 -10.038 2.864 1.00 2.68 N ATOM 0 H ARG A 195 24.334 -1.980 1.463 1.00 0.45 H new ATOM 0 HA ARG A 195 23.204 -3.885 3.356 1.00 0.50 H new ATOM 0 HB2 ARG A 195 24.959 -4.300 1.470 1.00 0.59 H new ATOM 0 HB3 ARG A 195 26.105 -3.592 2.592 1.00 0.59 H new ATOM 0 HG2 ARG A 195 25.635 -5.290 4.259 1.00 1.02 H new ATOM 0 HG3 ARG A 195 24.295 -5.918 3.320 1.00 1.02 H new ATOM 0 HD2 ARG A 195 26.062 -6.326 1.448 1.00 1.07 H new ATOM 0 HD3 ARG A 195 27.254 -6.093 2.712 1.00 1.07 H new ATOM 0 HE ARG A 195 25.354 -7.949 3.701 1.00 1.49 H new ATOM 0 HH11 ARG A 195 27.901 -7.716 1.249 1.00 2.34 H new ATOM 0 HH12 ARG A 195 28.139 -9.466 1.179 1.00 2.34 H new ATOM 0 HH21 ARG A 195 25.629 -10.166 3.559 1.00 2.68 H new ATOM 0 HH22 ARG A 195 26.854 -10.848 2.485 1.00 2.68 H new ATOM 2779 N LYS A 196 23.827 -2.804 5.465 1.00 0.60 N ATOM 2780 CA LYS A 196 24.123 -2.166 6.737 1.00 0.69 C ATOM 2781 C LYS A 196 25.206 -2.948 7.470 1.00 0.76 C ATOM 2782 O LYS A 196 26.254 -2.402 7.815 1.00 0.88 O ATOM 2783 CB LYS A 196 22.854 -2.080 7.591 1.00 0.75 C ATOM 2784 CG LYS A 196 23.050 -1.357 8.912 1.00 0.88 C ATOM 2785 CD LYS A 196 21.747 -1.247 9.686 1.00 1.28 C ATOM 2786 CE LYS A 196 21.932 -0.476 10.982 1.00 1.65 C ATOM 2787 NZ LYS A 196 22.425 0.908 10.744 1.00 2.15 N ATOM 0 H LYS A 196 23.048 -3.462 5.498 1.00 0.60 H new ATOM 0 HA LYS A 196 24.486 -1.155 6.553 1.00 0.69 H new ATOM 0 HB2 LYS A 196 22.078 -1.570 7.021 1.00 0.75 H new ATOM 0 HB3 LYS A 196 22.493 -3.089 7.790 1.00 0.75 H new ATOM 0 HG2 LYS A 196 23.787 -1.889 9.513 1.00 0.88 H new ATOM 0 HG3 LYS A 196 23.449 -0.360 8.726 1.00 0.88 H new ATOM 0 HD2 LYS A 196 20.998 -0.750 9.070 1.00 1.28 H new ATOM 0 HD3 LYS A 196 21.368 -2.245 9.906 1.00 1.28 H new ATOM 0 HE2 LYS A 196 20.984 -0.436 11.518 1.00 1.65 H new ATOM 0 HE3 LYS A 196 22.637 -1.007 11.622 1.00 1.65 H new ATOM 0 HZ1 LYS A 196 22.298 1.475 11.607 1.00 2.15 H new ATOM 0 HZ2 LYS A 196 23.434 0.879 10.494 1.00 2.15 H new ATOM 0 HZ3 LYS A 196 21.888 1.339 9.964 1.00 2.15 H new ATOM 2801 N PHE A 197 24.952 -4.230 7.694 1.00 0.77 N ATOM 2802 CA PHE A 197 25.939 -5.102 8.307 1.00 0.89 C ATOM 2803 C PHE A 197 26.598 -5.933 7.221 1.00 0.96 C ATOM 2804 O PHE A 197 26.079 -6.024 6.112 1.00 0.92 O ATOM 2805 CB PHE A 197 25.304 -6.037 9.339 1.00 0.95 C ATOM 2806 CG PHE A 197 24.269 -5.401 10.220 1.00 0.94 C ATOM 2807 CD1 PHE A 197 24.594 -4.376 11.092 1.00 1.14 C ATOM 2808 CD2 PHE A 197 22.961 -5.839 10.167 1.00 0.92 C ATOM 2809 CE1 PHE A 197 23.626 -3.804 11.895 1.00 1.19 C ATOM 2810 CE2 PHE A 197 21.989 -5.276 10.963 1.00 0.95 C ATOM 2811 CZ PHE A 197 22.320 -4.255 11.831 1.00 1.03 C ATOM 0 H PHE A 197 24.071 -4.687 7.460 1.00 0.77 H new ATOM 0 HA PHE A 197 26.673 -4.482 8.822 1.00 0.89 H new ATOM 0 HB2 PHE A 197 24.847 -6.876 8.814 1.00 0.95 H new ATOM 0 HB3 PHE A 197 26.093 -6.447 9.969 1.00 0.95 H new ATOM 0 HD1 PHE A 197 25.612 -4.021 11.145 1.00 1.14 H new ATOM 0 HD2 PHE A 197 22.696 -6.637 9.489 1.00 0.92 H new ATOM 0 HE1 PHE A 197 23.889 -3.005 12.572 1.00 1.19 H new ATOM 0 HE2 PHE A 197 20.971 -5.632 10.908 1.00 0.95 H new ATOM 0 HZ PHE A 197 21.562 -3.810 12.458 1.00 1.03 H new