USER MOD reduce.3.24.130724 H: found=0, std=0, add=1011, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1013 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 6 GLN : amide:sc= 1.09 K(o=2.5,f=-0.68) USER MOD Set 1.2: A 92 THR OG1 : rot -111:sc= 1.24 USER MOD Set 1.3: A 117 SER OG : rot 150:sc= 0.165 USER MOD Set 2.1: A 57 ASN : amide:sc= 0.71 K(o=1.9,f=-3.4!) USER MOD Set 2.2: A 58 SER OG : rot -80:sc= 1.21 USER MOD Set 3.1: A 52 TYR OH : rot 169:sc= 1.26 USER MOD Set 3.2: A 84 SER OG : rot 172:sc= 1.25 USER MOD Set 3.3: A 86 HIS : no HD1:sc= 1.04 K(o=3.8,f=-0.39) USER MOD Set 3.4: A 121 CYS SG : rot 119:sc= 0.228 USER MOD Set 4.1: A 45 LYS NZ :NH3+ 156:sc= 1.05 (180deg=0) USER MOD Set 4.2: A 89 MET CE :methyl -154:sc= 0 (180deg=-0.513) USER MOD Set 4.3: A 91 GLN : amide:sc= 1.43 K(o=2.5,f=-3.4) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.0173 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot -137:sc= 1.19 USER MOD Single : A 29 ASN : amide:sc= -0.0371 X(o=-0.037,f=-0.037) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= 0.601 K(o=0.6,f=-2.5) USER MOD Single : A 36 SER OG : rot 160:sc= 0.0864 USER MOD Single : A 39 LYS NZ :NH3+ -168:sc= 1.26 (180deg=1.17) USER MOD Single : A 41 CYS SG : rot 178:sc= -0.918 USER MOD Single : A 43 LYS NZ :NH3+ 131:sc= 0.00908 (180deg=0) USER MOD Single : A 46 THR OG1 : rot -140:sc= 0.0293 USER MOD Single : A 47 THR OG1 : rot 110:sc= 0.438 USER MOD Single : A 53 CYS SG : rot 170:sc= -0.465 USER MOD Single : A 65 SER OG : rot 67:sc= 0.235 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0.00447 USER MOD Single : A 72 MET CE :methyl -170:sc= 0 (180deg=-0.121) USER MOD Single : A 74 GLN : amide:sc= 0.231 X(o=0.23,f=-0.02) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= 1.11 K(o=1.1,f=0) USER MOD Single : A 83 LYS NZ :NH3+ -160:sc= 0.751 (180deg=0.492) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 MET CE :methyl -171:sc= 0 (180deg=-0.117) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 63 N GLN A 6 7.917 27.709 1.091 1.00 0.00 N ATOM 64 CA GLN A 6 6.895 28.142 0.130 1.00 0.00 C ATOM 65 C GLN A 6 6.846 29.642 -0.210 1.00 0.00 C ATOM 66 O GLN A 6 7.298 30.510 0.539 1.00 0.00 O ATOM 67 CB GLN A 6 5.519 27.616 0.570 1.00 0.00 C ATOM 68 CG GLN A 6 4.827 28.466 1.646 1.00 0.00 C ATOM 69 CD GLN A 6 3.617 27.718 2.180 1.00 0.00 C ATOM 70 OE1 GLN A 6 2.550 27.711 1.591 1.00 0.00 O ATOM 71 NE2 GLN A 6 3.766 26.979 3.247 1.00 0.00 N ATOM 0 HA GLN A 6 7.199 27.697 -0.818 1.00 0.00 H new ATOM 0 HB2 GLN A 6 4.869 27.559 -0.303 1.00 0.00 H new ATOM 0 HB3 GLN A 6 5.636 26.600 0.947 1.00 0.00 H new ATOM 0 HG2 GLN A 6 5.522 28.682 2.457 1.00 0.00 H new ATOM 0 HG3 GLN A 6 4.520 29.424 1.226 1.00 0.00 H new ATOM 0 HE21 GLN A 6 4.655 26.978 3.747 1.00 0.00 H new ATOM 0 HE22 GLN A 6 2.993 26.403 3.580 1.00 0.00 H new ATOM 80 N ILE A 7 6.206 29.917 -1.352 1.00 0.00 N ATOM 81 CA ILE A 7 5.957 31.253 -1.915 1.00 0.00 C ATOM 82 C ILE A 7 4.952 32.104 -1.115 1.00 0.00 C ATOM 83 O ILE A 7 5.087 33.327 -1.075 1.00 0.00 O ATOM 84 CB ILE A 7 5.504 31.082 -3.384 1.00 0.00 C ATOM 85 CG1 ILE A 7 5.414 32.452 -4.087 1.00 0.00 C ATOM 86 CG2 ILE A 7 4.168 30.309 -3.496 1.00 0.00 C ATOM 87 CD1 ILE A 7 5.325 32.347 -5.607 1.00 0.00 C ATOM 0 H ILE A 7 5.827 29.176 -1.941 1.00 0.00 H new ATOM 0 HA ILE A 7 6.890 31.814 -1.858 1.00 0.00 H new ATOM 0 HB ILE A 7 6.260 30.482 -3.891 1.00 0.00 H new ATOM 0 HG12 ILE A 7 4.540 32.986 -3.715 1.00 0.00 H new ATOM 0 HG13 ILE A 7 6.288 33.047 -3.822 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.890 30.213 -4.546 1.00 0.00 H new ATOM 0 HG22 ILE A 7 4.284 29.317 -3.060 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.388 30.851 -2.962 1.00 0.00 H new ATOM 0 HD11 ILE A 7 5.264 33.346 -6.038 1.00 0.00 H new ATOM 0 HD12 ILE A 7 6.211 31.840 -5.989 1.00 0.00 H new ATOM 0 HD13 ILE A 7 4.436 31.779 -5.881 1.00 0.00 H new ATOM 99 N LEU A 8 3.940 31.481 -0.492 1.00 0.00 N ATOM 100 CA LEU A 8 2.881 32.203 0.227 1.00 0.00 C ATOM 101 C LEU A 8 3.414 33.020 1.415 1.00 0.00 C ATOM 102 O LEU A 8 4.335 32.608 2.123 1.00 0.00 O ATOM 103 CB LEU A 8 1.786 31.253 0.760 1.00 0.00 C ATOM 104 CG LEU A 8 0.880 30.555 -0.266 1.00 0.00 C ATOM 105 CD1 LEU A 8 -0.321 29.955 0.462 1.00 0.00 C ATOM 106 CD2 LEU A 8 0.306 31.527 -1.289 1.00 0.00 C ATOM 0 H LEU A 8 3.833 30.467 -0.473 1.00 0.00 H new ATOM 0 HA LEU A 8 2.458 32.881 -0.514 1.00 0.00 H new ATOM 0 HB2 LEU A 8 2.273 30.481 1.356 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.149 31.823 1.436 1.00 0.00 H new ATOM 0 HG LEU A 8 1.492 29.808 -0.771 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -0.971 29.457 -0.257 1.00 0.00 H new ATOM 0 HD12 LEU A 8 0.025 29.231 1.200 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.876 30.748 0.964 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.327 30.984 -1.991 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -0.287 32.285 -0.778 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.120 32.008 -1.831 1.00 0.00 H new ATOM 118 N VAL A 9 2.759 34.155 1.656 1.00 0.00 N ATOM 119 CA VAL A 9 2.933 34.979 2.857 1.00 0.00 C ATOM 120 C VAL A 9 2.050 34.362 3.940 1.00 0.00 C ATOM 121 O VAL A 9 0.881 34.090 3.662 1.00 0.00 O ATOM 122 CB VAL A 9 2.502 36.442 2.610 1.00 0.00 C ATOM 123 CG1 VAL A 9 2.929 37.340 3.776 1.00 0.00 C ATOM 124 CG2 VAL A 9 3.083 37.019 1.313 1.00 0.00 C ATOM 0 H VAL A 9 2.074 34.539 1.005 1.00 0.00 H new ATOM 0 HA VAL A 9 3.983 34.999 3.147 1.00 0.00 H new ATOM 0 HB VAL A 9 1.416 36.424 2.523 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.615 38.365 3.580 1.00 0.00 H new ATOM 0 HG12 VAL A 9 2.463 36.988 4.696 1.00 0.00 H new ATOM 0 HG13 VAL A 9 4.013 37.307 3.883 1.00 0.00 H new ATOM 0 HG21 VAL A 9 2.747 38.049 1.191 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.172 36.995 1.360 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.743 36.424 0.466 1.00 0.00 H new ATOM 134 N LEU A 10 2.571 34.149 5.151 1.00 0.00 N ATOM 135 CA LEU A 10 1.776 33.702 6.303 1.00 0.00 C ATOM 136 C LEU A 10 1.745 34.806 7.380 1.00 0.00 C ATOM 137 O LEU A 10 2.672 35.611 7.475 1.00 0.00 O ATOM 138 CB LEU A 10 2.199 32.308 6.846 1.00 0.00 C ATOM 139 CG LEU A 10 2.463 31.204 5.796 1.00 0.00 C ATOM 140 CD1 LEU A 10 3.898 31.234 5.271 1.00 0.00 C ATOM 141 CD2 LEU A 10 2.264 29.822 6.414 1.00 0.00 C ATOM 0 H LEU A 10 3.560 34.282 5.363 1.00 0.00 H new ATOM 0 HA LEU A 10 0.753 33.543 5.963 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.103 32.435 7.441 1.00 0.00 H new ATOM 0 HB3 LEU A 10 1.420 31.955 7.522 1.00 0.00 H new ATOM 0 HG LEU A 10 1.762 31.392 4.983 1.00 0.00 H new ATOM 0 HD11 LEU A 10 4.033 30.440 4.537 1.00 0.00 H new ATOM 0 HD12 LEU A 10 4.094 32.199 4.803 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.591 31.085 6.099 1.00 0.00 H new ATOM 0 HD21 LEU A 10 2.454 29.056 5.662 1.00 0.00 H new ATOM 0 HD22 LEU A 10 2.956 29.692 7.246 1.00 0.00 H new ATOM 0 HD23 LEU A 10 1.240 29.729 6.776 1.00 0.00 H new ATOM 153 N ASP A 11 0.678 34.869 8.174 1.00 0.00 N ATOM 154 CA ASP A 11 0.419 35.944 9.140 1.00 0.00 C ATOM 155 C ASP A 11 -0.336 35.407 10.373 1.00 0.00 C ATOM 156 O ASP A 11 -1.540 35.143 10.270 1.00 0.00 O ATOM 157 CB ASP A 11 -0.425 37.046 8.479 1.00 0.00 C ATOM 158 CG ASP A 11 -0.550 38.303 9.360 1.00 0.00 C ATOM 159 OD1 ASP A 11 0.389 38.613 10.132 1.00 0.00 O ATOM 160 OD2 ASP A 11 -1.588 39.000 9.267 1.00 0.00 O ATOM 0 H ASP A 11 -0.052 34.157 8.166 1.00 0.00 H new ATOM 0 HA ASP A 11 1.379 36.349 9.461 1.00 0.00 H new ATOM 0 HB2 ASP A 11 0.024 37.319 7.524 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -1.420 36.657 8.264 1.00 0.00 H new ATOM 165 N PRO A 12 0.320 35.235 11.536 1.00 0.00 N ATOM 166 CA PRO A 12 1.751 35.434 11.792 1.00 0.00 C ATOM 167 C PRO A 12 2.674 34.484 10.983 1.00 0.00 C ATOM 168 O PRO A 12 2.353 33.304 10.824 1.00 0.00 O ATOM 169 CB PRO A 12 1.921 35.221 13.304 1.00 0.00 C ATOM 170 CG PRO A 12 0.734 34.332 13.683 1.00 0.00 C ATOM 171 CD PRO A 12 -0.361 34.837 12.754 1.00 0.00 C ATOM 0 HA PRO A 12 2.054 36.430 11.468 1.00 0.00 H new ATOM 0 HB2 PRO A 12 2.871 34.740 13.536 1.00 0.00 H new ATOM 0 HB3 PRO A 12 1.902 36.167 13.846 1.00 0.00 H new ATOM 0 HG2 PRO A 12 0.949 33.276 13.521 1.00 0.00 H new ATOM 0 HG3 PRO A 12 0.461 34.444 14.732 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -1.098 34.059 12.556 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -0.896 35.677 13.197 1.00 0.00 H new ATOM 179 N PRO A 13 3.833 34.966 10.481 1.00 0.00 N ATOM 180 CA PRO A 13 4.751 34.185 9.635 1.00 0.00 C ATOM 181 C PRO A 13 5.619 33.171 10.390 1.00 0.00 C ATOM 182 O PRO A 13 5.996 32.138 9.833 1.00 0.00 O ATOM 183 CB PRO A 13 5.652 35.224 8.956 1.00 0.00 C ATOM 184 CG PRO A 13 5.633 36.421 9.903 1.00 0.00 C ATOM 185 CD PRO A 13 4.218 36.369 10.472 1.00 0.00 C ATOM 0 HA PRO A 13 4.164 33.580 8.944 1.00 0.00 H new ATOM 0 HB2 PRO A 13 6.664 34.843 8.818 1.00 0.00 H new ATOM 0 HB3 PRO A 13 5.275 35.492 7.969 1.00 0.00 H new ATOM 0 HG2 PRO A 13 6.388 36.333 10.684 1.00 0.00 H new ATOM 0 HG3 PRO A 13 5.825 37.357 9.378 1.00 0.00 H new ATOM 0 HD2 PRO A 13 4.188 36.787 11.478 1.00 0.00 H new ATOM 0 HD3 PRO A 13 3.532 36.957 9.862 1.00 0.00 H new ATOM 193 N THR A 14 5.975 33.490 11.633 1.00 0.00 N ATOM 194 CA THR A 14 6.950 32.738 12.444 1.00 0.00 C ATOM 195 C THR A 14 6.322 31.593 13.240 1.00 0.00 C ATOM 196 O THR A 14 6.702 30.437 13.057 1.00 0.00 O ATOM 197 CB THR A 14 7.704 33.669 13.404 1.00 0.00 C ATOM 198 OG1 THR A 14 6.809 34.561 14.039 1.00 0.00 O ATOM 199 CG2 THR A 14 8.743 34.516 12.669 1.00 0.00 C ATOM 0 H THR A 14 5.588 34.297 12.122 1.00 0.00 H new ATOM 0 HA THR A 14 7.646 32.297 11.730 1.00 0.00 H new ATOM 0 HB THR A 14 8.197 33.027 14.134 1.00 0.00 H new ATOM 0 HG1 THR A 14 7.307 35.145 14.648 1.00 0.00 H new ATOM 0 HG21 THR A 14 9.256 35.162 13.382 1.00 0.00 H new ATOM 0 HG22 THR A 14 9.468 33.862 12.184 1.00 0.00 H new ATOM 0 HG23 THR A 14 8.247 35.128 11.916 1.00 0.00 H new ATOM 207 N ASP A 15 5.359 31.903 14.113 1.00 0.00 N ATOM 208 CA ASP A 15 4.713 30.968 15.043 1.00 0.00 C ATOM 209 C ASP A 15 3.230 31.328 15.261 1.00 0.00 C ATOM 210 O ASP A 15 2.845 32.494 15.154 1.00 0.00 O ATOM 211 CB ASP A 15 5.456 30.979 16.388 1.00 0.00 C ATOM 212 CG ASP A 15 6.913 30.505 16.269 1.00 0.00 C ATOM 213 OD1 ASP A 15 7.147 29.316 15.958 1.00 0.00 O ATOM 214 OD2 ASP A 15 7.839 31.302 16.552 1.00 0.00 O ATOM 0 H ASP A 15 4.992 32.851 14.196 1.00 0.00 H new ATOM 0 HA ASP A 15 4.757 29.970 14.607 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.440 31.989 16.798 1.00 0.00 H new ATOM 0 HB3 ASP A 15 4.927 30.339 17.095 1.00 0.00 H new ATOM 219 N LEU A 16 2.406 30.345 15.635 1.00 0.00 N ATOM 220 CA LEU A 16 0.995 30.526 15.989 1.00 0.00 C ATOM 221 C LEU A 16 0.888 30.857 17.482 1.00 0.00 C ATOM 222 O LEU A 16 1.421 30.136 18.326 1.00 0.00 O ATOM 223 CB LEU A 16 0.195 29.236 15.697 1.00 0.00 C ATOM 224 CG LEU A 16 -0.403 29.057 14.290 1.00 0.00 C ATOM 225 CD1 LEU A 16 -1.512 30.061 13.992 1.00 0.00 C ATOM 226 CD2 LEU A 16 0.641 29.129 13.180 1.00 0.00 C ATOM 0 H LEU A 16 2.711 29.374 15.702 1.00 0.00 H new ATOM 0 HA LEU A 16 0.583 31.340 15.393 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.850 28.386 15.892 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.622 29.180 16.416 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.826 28.052 14.301 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.898 29.889 12.987 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.318 29.939 14.716 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.114 31.073 14.060 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.155 28.995 12.214 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.134 30.101 13.207 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.381 28.342 13.325 1.00 0.00 H new ATOM 238 N LYS A 17 0.160 31.924 17.819 1.00 0.00 N ATOM 239 CA LYS A 17 -0.030 32.382 19.202 1.00 0.00 C ATOM 240 C LYS A 17 -1.422 32.017 19.710 1.00 0.00 C ATOM 241 O LYS A 17 -2.431 32.291 19.058 1.00 0.00 O ATOM 242 CB LYS A 17 0.256 33.889 19.314 1.00 0.00 C ATOM 243 CG LYS A 17 1.718 34.230 18.976 1.00 0.00 C ATOM 244 CD LYS A 17 1.999 35.727 19.160 1.00 0.00 C ATOM 245 CE LYS A 17 3.461 36.032 18.808 1.00 0.00 C ATOM 246 NZ LYS A 17 3.775 37.477 18.987 1.00 0.00 N ATOM 0 H LYS A 17 -0.322 32.504 17.132 1.00 0.00 H new ATOM 0 HA LYS A 17 0.685 31.868 19.844 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -0.407 34.434 18.642 1.00 0.00 H new ATOM 0 HB3 LYS A 17 0.031 34.226 20.326 1.00 0.00 H new ATOM 0 HG2 LYS A 17 2.385 33.652 19.615 1.00 0.00 H new ATOM 0 HG3 LYS A 17 1.932 33.942 17.947 1.00 0.00 H new ATOM 0 HD2 LYS A 17 1.334 36.311 18.525 1.00 0.00 H new ATOM 0 HD3 LYS A 17 1.795 36.020 20.190 1.00 0.00 H new ATOM 0 HE2 LYS A 17 4.120 35.435 19.438 1.00 0.00 H new ATOM 0 HE3 LYS A 17 3.656 35.741 17.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 4.771 37.649 18.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 3.162 38.045 18.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 3.612 37.748 19.978 1.00 0.00 H new ATOM 260 N PHE A 18 -1.458 31.412 20.890 1.00 0.00 N ATOM 261 CA PHE A 18 -2.660 31.002 21.607 1.00 0.00 C ATOM 262 C PHE A 18 -2.689 31.697 22.974 1.00 0.00 C ATOM 263 O PHE A 18 -1.903 31.369 23.862 1.00 0.00 O ATOM 264 CB PHE A 18 -2.670 29.469 21.715 1.00 0.00 C ATOM 265 CG PHE A 18 -2.687 28.771 20.370 1.00 0.00 C ATOM 266 CD1 PHE A 18 -3.915 28.624 19.705 1.00 0.00 C ATOM 267 CD2 PHE A 18 -1.500 28.321 19.754 1.00 0.00 C ATOM 268 CE1 PHE A 18 -3.972 28.033 18.435 1.00 0.00 C ATOM 269 CE2 PHE A 18 -1.557 27.724 18.485 1.00 0.00 C ATOM 270 CZ PHE A 18 -2.786 27.593 17.817 1.00 0.00 C ATOM 0 H PHE A 18 -0.605 31.182 21.400 1.00 0.00 H new ATOM 0 HA PHE A 18 -3.564 31.300 21.075 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -1.791 29.146 22.273 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -3.543 29.158 22.288 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -4.823 28.969 20.176 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.551 28.435 20.257 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -4.921 27.916 17.933 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -0.652 27.364 18.020 1.00 0.00 H new ATOM 0 HZ PHE A 18 -2.821 27.155 16.830 1.00 0.00 H new ATOM 280 N LYS A 19 -3.575 32.685 23.131 1.00 0.00 N ATOM 281 CA LYS A 19 -3.797 33.416 24.393 1.00 0.00 C ATOM 282 C LYS A 19 -5.174 33.082 24.964 1.00 0.00 C ATOM 283 O LYS A 19 -6.169 33.196 24.245 1.00 0.00 O ATOM 284 CB LYS A 19 -3.552 34.920 24.161 1.00 0.00 C ATOM 285 CG LYS A 19 -3.597 35.784 25.439 1.00 0.00 C ATOM 286 CD LYS A 19 -4.982 36.322 25.847 1.00 0.00 C ATOM 287 CE LYS A 19 -5.558 37.293 24.802 1.00 0.00 C ATOM 288 NZ LYS A 19 -6.849 37.889 25.249 1.00 0.00 N ATOM 0 H LYS A 19 -4.173 33.010 22.371 1.00 0.00 H new ATOM 0 HA LYS A 19 -3.084 33.101 25.155 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -2.579 35.047 23.687 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -4.299 35.292 23.460 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.201 35.194 26.266 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.926 36.632 25.303 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -5.669 35.487 25.982 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.904 36.830 26.808 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -4.838 38.089 24.610 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -5.709 36.765 23.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -7.204 38.537 24.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -7.544 37.132 25.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.701 38.414 26.134 1.00 0.00 H new ATOM 302 N GLY A 20 -5.258 32.700 26.240 1.00 0.00 N ATOM 303 CA GLY A 20 -6.514 32.341 26.877 1.00 0.00 C ATOM 304 C GLY A 20 -6.268 31.609 28.193 1.00 0.00 C ATOM 305 O GLY A 20 -5.135 31.555 28.676 1.00 0.00 O ATOM 0 H GLY A 20 -4.449 32.633 26.858 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -7.103 33.240 27.061 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -7.098 31.709 26.208 1.00 0.00 H new ATOM 309 N PRO A 21 -7.326 31.039 28.787 1.00 0.00 N ATOM 310 CA PRO A 21 -7.204 30.335 30.065 1.00 0.00 C ATOM 311 C PRO A 21 -6.801 28.860 29.993 1.00 0.00 C ATOM 312 O PRO A 21 -6.309 28.237 30.932 1.00 0.00 O ATOM 313 CB PRO A 21 -8.598 30.466 30.655 1.00 0.00 C ATOM 314 CG PRO A 21 -9.551 30.529 29.460 1.00 0.00 C ATOM 315 CD PRO A 21 -8.721 31.267 28.417 1.00 0.00 C ATOM 0 HA PRO A 21 -6.393 30.771 30.649 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -8.832 29.617 31.298 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -8.680 31.363 31.269 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -9.841 29.535 29.119 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -10.470 31.064 29.701 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -8.927 30.890 27.415 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -8.956 32.331 28.412 1.00 0.00 H new ATOM 323 N PHE A 22 -7.115 28.355 28.820 1.00 0.00 N ATOM 324 CA PHE A 22 -7.103 26.992 28.291 1.00 0.00 C ATOM 325 C PHE A 22 -8.096 26.050 28.988 1.00 0.00 C ATOM 326 O PHE A 22 -8.011 24.833 28.868 1.00 0.00 O ATOM 327 CB PHE A 22 -5.664 26.483 28.180 1.00 0.00 C ATOM 328 CG PHE A 22 -4.723 27.401 27.417 1.00 0.00 C ATOM 329 CD1 PHE A 22 -4.573 27.281 26.023 1.00 0.00 C ATOM 330 CD2 PHE A 22 -3.990 28.384 28.109 1.00 0.00 C ATOM 331 CE1 PHE A 22 -3.644 28.090 25.342 1.00 0.00 C ATOM 332 CE2 PHE A 22 -3.062 29.192 27.429 1.00 0.00 C ATOM 333 CZ PHE A 22 -2.876 29.033 26.047 1.00 0.00 C ATOM 0 H PHE A 22 -7.438 28.992 28.092 1.00 0.00 H new ATOM 0 HA PHE A 22 -7.494 27.011 27.274 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -5.268 26.332 29.184 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -5.674 25.508 27.692 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -5.171 26.568 25.475 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -4.142 28.518 29.170 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -3.521 27.986 24.274 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -2.493 29.934 27.969 1.00 0.00 H new ATOM 0 HZ PHE A 22 -2.145 29.634 25.527 1.00 0.00 H new ATOM 343 N THR A 23 -9.097 26.624 29.658 1.00 0.00 N ATOM 344 CA THR A 23 -10.262 25.922 30.232 1.00 0.00 C ATOM 345 C THR A 23 -11.370 25.661 29.199 1.00 0.00 C ATOM 346 O THR A 23 -12.272 24.854 29.433 1.00 0.00 O ATOM 347 CB THR A 23 -10.816 26.730 31.413 1.00 0.00 C ATOM 348 OG1 THR A 23 -11.236 28.004 30.975 1.00 0.00 O ATOM 349 CG2 THR A 23 -9.720 26.954 32.453 1.00 0.00 C ATOM 0 H THR A 23 -9.126 27.630 29.826 1.00 0.00 H new ATOM 0 HA THR A 23 -9.919 24.946 30.574 1.00 0.00 H new ATOM 0 HB THR A 23 -11.650 26.172 31.839 1.00 0.00 H new ATOM 0 HG1 THR A 23 -11.589 28.511 31.735 1.00 0.00 H new ATOM 0 HG21 THR A 23 -10.122 27.528 33.288 1.00 0.00 H new ATOM 0 HG22 THR A 23 -9.360 25.991 32.815 1.00 0.00 H new ATOM 0 HG23 THR A 23 -8.895 27.503 31.999 1.00 0.00 H new ATOM 357 N ASP A 24 -11.271 26.308 28.033 1.00 0.00 N ATOM 358 CA ASP A 24 -12.076 26.072 26.824 1.00 0.00 C ATOM 359 C ASP A 24 -11.188 26.167 25.559 1.00 0.00 C ATOM 360 O ASP A 24 -9.992 26.468 25.643 1.00 0.00 O ATOM 361 CB ASP A 24 -13.226 27.098 26.772 1.00 0.00 C ATOM 362 CG ASP A 24 -14.455 26.652 25.956 1.00 0.00 C ATOM 363 OD1 ASP A 24 -14.415 25.602 25.271 1.00 0.00 O ATOM 364 OD2 ASP A 24 -15.479 27.377 25.991 1.00 0.00 O ATOM 0 H ASP A 24 -10.588 27.054 27.897 1.00 0.00 H new ATOM 0 HA ASP A 24 -12.500 25.068 26.857 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -13.544 27.317 27.791 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -12.845 28.028 26.350 1.00 0.00 H new ATOM 369 N VAL A 25 -11.773 25.935 24.382 1.00 0.00 N ATOM 370 CA VAL A 25 -11.101 26.038 23.076 1.00 0.00 C ATOM 371 C VAL A 25 -10.579 27.461 22.832 1.00 0.00 C ATOM 372 O VAL A 25 -11.294 28.445 23.042 1.00 0.00 O ATOM 373 CB VAL A 25 -12.063 25.625 21.941 1.00 0.00 C ATOM 374 CG1 VAL A 25 -11.490 25.884 20.542 1.00 0.00 C ATOM 375 CG2 VAL A 25 -12.399 24.132 22.019 1.00 0.00 C ATOM 0 H VAL A 25 -12.753 25.663 24.304 1.00 0.00 H new ATOM 0 HA VAL A 25 -10.249 25.359 23.084 1.00 0.00 H new ATOM 0 HB VAL A 25 -12.951 26.240 22.085 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -12.214 25.573 19.789 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -11.280 26.947 20.426 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -10.568 25.316 20.416 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -13.078 23.869 21.208 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -11.483 23.548 21.929 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -12.875 23.916 22.975 1.00 0.00 H new ATOM 385 N VAL A 26 -9.346 27.561 22.322 1.00 0.00 N ATOM 386 CA VAL A 26 -8.733 28.807 21.839 1.00 0.00 C ATOM 387 C VAL A 26 -8.868 28.887 20.322 1.00 0.00 C ATOM 388 O VAL A 26 -8.465 27.964 19.613 1.00 0.00 O ATOM 389 CB VAL A 26 -7.243 28.913 22.216 1.00 0.00 C ATOM 390 CG1 VAL A 26 -6.681 30.307 21.905 1.00 0.00 C ATOM 391 CG2 VAL A 26 -7.006 28.663 23.700 1.00 0.00 C ATOM 0 H VAL A 26 -8.728 26.755 22.231 1.00 0.00 H new ATOM 0 HA VAL A 26 -9.258 29.633 22.318 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.740 28.150 21.621 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -5.628 30.345 22.184 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.782 30.510 20.839 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -7.234 31.057 22.471 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -5.941 28.748 23.918 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.556 29.399 24.285 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.350 27.662 23.960 1.00 0.00 H new ATOM 401 N THR A 27 -9.385 30.008 19.825 1.00 0.00 N ATOM 402 CA THR A 27 -9.454 30.304 18.383 1.00 0.00 C ATOM 403 C THR A 27 -8.325 31.256 17.993 1.00 0.00 C ATOM 404 O THR A 27 -8.197 32.340 18.565 1.00 0.00 O ATOM 405 CB THR A 27 -10.825 30.875 17.981 1.00 0.00 C ATOM 406 OG1 THR A 27 -11.833 29.935 18.288 1.00 0.00 O ATOM 407 CG2 THR A 27 -10.923 31.162 16.479 1.00 0.00 C ATOM 0 H THR A 27 -9.773 30.747 20.411 1.00 0.00 H new ATOM 0 HA THR A 27 -9.330 29.368 17.838 1.00 0.00 H new ATOM 0 HB THR A 27 -10.949 31.808 18.532 1.00 0.00 H new ATOM 0 HG1 THR A 27 -12.707 30.298 18.034 1.00 0.00 H new ATOM 0 HG21 THR A 27 -11.910 31.563 16.249 1.00 0.00 H new ATOM 0 HG22 THR A 27 -10.161 31.889 16.197 1.00 0.00 H new ATOM 0 HG23 THR A 27 -10.768 30.239 15.921 1.00 0.00 H new ATOM 415 N THR A 28 -7.541 30.868 16.986 1.00 0.00 N ATOM 416 CA THR A 28 -6.437 31.659 16.421 1.00 0.00 C ATOM 417 C THR A 28 -6.550 31.603 14.906 1.00 0.00 C ATOM 418 O THR A 28 -6.559 30.516 14.333 1.00 0.00 O ATOM 419 CB THR A 28 -5.073 31.119 16.900 1.00 0.00 C ATOM 420 OG1 THR A 28 -4.927 31.394 18.275 1.00 0.00 O ATOM 421 CG2 THR A 28 -3.868 31.751 16.200 1.00 0.00 C ATOM 0 H THR A 28 -7.657 29.966 16.524 1.00 0.00 H new ATOM 0 HA THR A 28 -6.503 32.693 16.759 1.00 0.00 H new ATOM 0 HB THR A 28 -5.081 30.054 16.669 1.00 0.00 H new ATOM 0 HG1 THR A 28 -4.018 31.717 18.449 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.949 31.317 16.594 1.00 0.00 H new ATOM 0 HG22 THR A 28 -3.929 31.561 15.128 1.00 0.00 H new ATOM 0 HG23 THR A 28 -3.867 32.826 16.378 1.00 0.00 H new ATOM 429 N ASN A 29 -6.654 32.753 14.238 1.00 0.00 N ATOM 430 CA ASN A 29 -6.679 32.821 12.781 1.00 0.00 C ATOM 431 C ASN A 29 -5.277 33.079 12.198 1.00 0.00 C ATOM 432 O ASN A 29 -4.486 33.848 12.747 1.00 0.00 O ATOM 433 CB ASN A 29 -7.748 33.819 12.310 1.00 0.00 C ATOM 434 CG ASN A 29 -7.566 35.235 12.835 1.00 0.00 C ATOM 435 OD1 ASN A 29 -6.846 36.048 12.275 1.00 0.00 O ATOM 436 ND2 ASN A 29 -8.219 35.566 13.929 1.00 0.00 N ATOM 0 H ASN A 29 -6.723 33.662 14.695 1.00 0.00 H new ATOM 0 HA ASN A 29 -6.971 31.848 12.385 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -7.746 33.846 11.220 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -8.728 33.454 12.618 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -8.126 36.506 14.314 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -8.818 34.883 14.392 1.00 0.00 H new ATOM 443 N LEU A 30 -4.999 32.426 11.069 1.00 0.00 N ATOM 444 CA LEU A 30 -3.794 32.567 10.258 1.00 0.00 C ATOM 445 C LEU A 30 -4.201 33.133 8.889 1.00 0.00 C ATOM 446 O LEU A 30 -5.037 32.539 8.206 1.00 0.00 O ATOM 447 CB LEU A 30 -3.129 31.178 10.151 1.00 0.00 C ATOM 448 CG LEU A 30 -1.739 31.186 9.493 1.00 0.00 C ATOM 449 CD1 LEU A 30 -0.660 31.720 10.429 1.00 0.00 C ATOM 450 CD2 LEU A 30 -1.319 29.772 9.102 1.00 0.00 C ATOM 0 H LEU A 30 -5.648 31.745 10.675 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.072 33.254 10.701 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.041 30.753 11.151 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.783 30.519 9.581 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.827 31.833 8.620 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.303 31.706 9.919 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -0.903 32.743 10.718 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.608 31.094 11.320 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.333 29.800 8.638 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.283 29.144 9.992 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.040 29.360 8.396 1.00 0.00 H new ATOM 462 N LYS A 31 -3.633 34.267 8.476 1.00 0.00 N ATOM 463 CA LYS A 31 -3.881 34.882 7.160 1.00 0.00 C ATOM 464 C LYS A 31 -2.819 34.440 6.156 1.00 0.00 C ATOM 465 O LYS A 31 -1.633 34.657 6.392 1.00 0.00 O ATOM 466 CB LYS A 31 -3.954 36.414 7.295 1.00 0.00 C ATOM 467 CG LYS A 31 -5.417 36.816 7.181 1.00 0.00 C ATOM 468 CD LYS A 31 -5.649 38.320 7.298 1.00 0.00 C ATOM 469 CE LYS A 31 -7.156 38.499 7.128 1.00 0.00 C ATOM 470 NZ LYS A 31 -7.563 39.930 7.201 1.00 0.00 N ATOM 0 H LYS A 31 -2.977 34.796 9.051 1.00 0.00 H new ATOM 0 HA LYS A 31 -4.844 34.542 6.779 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -3.542 36.734 8.252 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -3.363 36.896 6.516 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -5.806 36.470 6.223 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.986 36.307 7.959 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -5.313 38.698 8.264 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -5.097 38.866 6.532 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -7.464 38.084 6.168 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -7.677 37.935 7.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -8.593 40.004 7.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -7.293 40.321 8.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -7.087 40.465 6.447 1.00 0.00 H new ATOM 484 N LEU A 32 -3.233 33.827 5.046 1.00 0.00 N ATOM 485 CA LEU A 32 -2.343 33.391 3.969 1.00 0.00 C ATOM 486 C LEU A 32 -2.591 34.206 2.705 1.00 0.00 C ATOM 487 O LEU A 32 -3.705 34.169 2.189 1.00 0.00 O ATOM 488 CB LEU A 32 -2.525 31.889 3.668 1.00 0.00 C ATOM 489 CG LEU A 32 -2.207 30.868 4.773 1.00 0.00 C ATOM 490 CD1 LEU A 32 -1.085 31.295 5.698 1.00 0.00 C ATOM 491 CD2 LEU A 32 -3.428 30.538 5.622 1.00 0.00 C ATOM 0 H LEU A 32 -4.215 33.616 4.867 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.318 33.554 4.302 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.561 31.736 3.366 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.903 31.647 2.806 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.881 29.982 4.227 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.920 30.523 6.450 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.172 31.440 5.120 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.355 32.229 6.190 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.153 29.813 6.388 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.797 31.447 6.098 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.209 30.118 4.988 1.00 0.00 H new ATOM 503 N ARG A 33 -1.572 34.903 2.185 1.00 0.00 N ATOM 504 CA ARG A 33 -1.661 35.698 0.942 1.00 0.00 C ATOM 505 C ARG A 33 -0.733 35.157 -0.142 1.00 0.00 C ATOM 506 O ARG A 33 0.388 34.743 0.144 1.00 0.00 O ATOM 507 CB ARG A 33 -1.432 37.198 1.234 1.00 0.00 C ATOM 508 CG ARG A 33 -1.790 38.072 0.019 1.00 0.00 C ATOM 509 CD ARG A 33 -1.806 39.572 0.321 1.00 0.00 C ATOM 510 NE ARG A 33 -2.447 40.300 -0.793 1.00 0.00 N ATOM 511 CZ ARG A 33 -2.542 41.605 -0.959 1.00 0.00 C ATOM 512 NH1 ARG A 33 -2.019 42.458 -0.126 1.00 0.00 N ATOM 513 NH2 ARG A 33 -3.187 42.064 -1.992 1.00 0.00 N ATOM 0 H ARG A 33 -0.649 34.934 2.617 1.00 0.00 H new ATOM 0 HA ARG A 33 -2.672 35.601 0.546 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -2.036 37.499 2.090 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -0.389 37.361 1.506 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -1.073 37.879 -0.779 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -2.770 37.775 -0.354 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -2.346 39.760 1.249 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -0.788 39.934 0.466 1.00 0.00 H new ATOM 0 HE ARG A 33 -2.867 39.724 -1.522 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -1.512 42.125 0.694 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -2.117 43.459 -0.293 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -3.610 41.417 -2.658 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -3.270 43.070 -2.136 1.00 0.00 H new ATOM 527 N ASN A 34 -1.183 35.208 -1.393 1.00 0.00 N ATOM 528 CA ASN A 34 -0.440 34.727 -2.559 1.00 0.00 C ATOM 529 C ASN A 34 0.146 35.912 -3.347 1.00 0.00 C ATOM 530 O ASN A 34 -0.619 36.689 -3.917 1.00 0.00 O ATOM 531 CB ASN A 34 -1.415 33.872 -3.387 1.00 0.00 C ATOM 532 CG ASN A 34 -0.858 33.347 -4.700 1.00 0.00 C ATOM 533 OD1 ASN A 34 0.315 33.468 -5.024 1.00 0.00 O ATOM 534 ND2 ASN A 34 -1.714 32.743 -5.486 1.00 0.00 N ATOM 0 H ASN A 34 -2.096 35.594 -1.632 1.00 0.00 H new ATOM 0 HA ASN A 34 0.416 34.116 -2.273 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -1.735 33.024 -2.781 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -2.304 34.466 -3.599 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -1.405 32.366 -6.382 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -2.689 32.650 -5.202 1.00 0.00 H new ATOM 541 N PRO A 35 1.486 36.054 -3.404 1.00 0.00 N ATOM 542 CA PRO A 35 2.125 37.169 -4.103 1.00 0.00 C ATOM 543 C PRO A 35 2.163 36.993 -5.634 1.00 0.00 C ATOM 544 O PRO A 35 2.255 37.976 -6.375 1.00 0.00 O ATOM 545 CB PRO A 35 3.537 37.210 -3.531 1.00 0.00 C ATOM 546 CG PRO A 35 3.844 35.772 -3.142 1.00 0.00 C ATOM 547 CD PRO A 35 2.484 35.244 -2.706 1.00 0.00 C ATOM 0 HA PRO A 35 1.566 38.092 -3.951 1.00 0.00 H new ATOM 0 HB2 PRO A 35 4.251 37.581 -4.267 1.00 0.00 H new ATOM 0 HB3 PRO A 35 3.595 37.874 -2.668 1.00 0.00 H new ATOM 0 HG2 PRO A 35 4.249 35.204 -3.979 1.00 0.00 H new ATOM 0 HG3 PRO A 35 4.576 35.718 -2.336 1.00 0.00 H new ATOM 0 HD2 PRO A 35 2.376 34.190 -2.961 1.00 0.00 H new ATOM 0 HD3 PRO A 35 2.364 35.325 -1.626 1.00 0.00 H new ATOM 555 N SER A 36 2.130 35.740 -6.102 1.00 0.00 N ATOM 556 CA SER A 36 2.262 35.351 -7.516 1.00 0.00 C ATOM 557 C SER A 36 1.044 35.701 -8.387 1.00 0.00 C ATOM 558 O SER A 36 -0.029 36.057 -7.900 1.00 0.00 O ATOM 559 CB SER A 36 2.537 33.843 -7.619 1.00 0.00 C ATOM 560 OG SER A 36 3.316 33.560 -8.771 1.00 0.00 O ATOM 0 H SER A 36 2.006 34.937 -5.485 1.00 0.00 H new ATOM 0 HA SER A 36 3.097 35.933 -7.905 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.059 33.500 -6.726 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.595 33.297 -7.666 1.00 0.00 H new ATOM 0 HG SER A 36 3.750 32.687 -8.666 1.00 0.00 H new ATOM 566 N ASP A 37 1.209 35.522 -9.701 1.00 0.00 N ATOM 567 CA ASP A 37 0.192 35.716 -10.749 1.00 0.00 C ATOM 568 C ASP A 37 -0.429 34.373 -11.207 1.00 0.00 C ATOM 569 O ASP A 37 -0.732 34.166 -12.385 1.00 0.00 O ATOM 570 CB ASP A 37 0.810 36.547 -11.887 1.00 0.00 C ATOM 571 CG ASP A 37 -0.230 37.054 -12.904 1.00 0.00 C ATOM 572 OD1 ASP A 37 -1.308 37.544 -12.488 1.00 0.00 O ATOM 573 OD2 ASP A 37 0.053 37.018 -14.128 1.00 0.00 O ATOM 0 H ASP A 37 2.104 35.221 -10.087 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.654 36.277 -10.353 1.00 0.00 H new ATOM 0 HB2 ASP A 37 1.337 37.400 -11.460 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.552 35.942 -12.408 1.00 0.00 H new ATOM 578 N ARG A 38 -0.564 33.424 -10.266 1.00 0.00 N ATOM 579 CA ARG A 38 -1.003 32.032 -10.471 1.00 0.00 C ATOM 580 C ARG A 38 -1.919 31.603 -9.325 1.00 0.00 C ATOM 581 O ARG A 38 -1.826 32.157 -8.230 1.00 0.00 O ATOM 582 CB ARG A 38 0.226 31.100 -10.513 1.00 0.00 C ATOM 583 CG ARG A 38 1.235 31.433 -11.622 1.00 0.00 C ATOM 584 CD ARG A 38 2.450 30.502 -11.533 1.00 0.00 C ATOM 585 NE ARG A 38 3.466 30.840 -12.549 1.00 0.00 N ATOM 586 CZ ARG A 38 4.385 31.789 -12.482 1.00 0.00 C ATOM 587 NH1 ARG A 38 4.490 32.597 -11.462 1.00 0.00 N ATOM 588 NH2 ARG A 38 5.228 31.950 -13.462 1.00 0.00 N ATOM 0 H ARG A 38 -0.358 33.618 -9.286 1.00 0.00 H new ATOM 0 HA ARG A 38 -1.545 31.967 -11.414 1.00 0.00 H new ATOM 0 HB2 ARG A 38 0.735 31.145 -9.550 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.116 30.073 -10.645 1.00 0.00 H new ATOM 0 HG2 ARG A 38 0.760 31.330 -12.598 1.00 0.00 H new ATOM 0 HG3 ARG A 38 1.556 32.471 -11.531 1.00 0.00 H new ATOM 0 HD2 ARG A 38 2.891 30.572 -10.539 1.00 0.00 H new ATOM 0 HD3 ARG A 38 2.129 29.469 -11.668 1.00 0.00 H new ATOM 0 HE ARG A 38 3.459 30.278 -13.400 1.00 0.00 H new ATOM 0 HH11 ARG A 38 3.848 32.510 -10.674 1.00 0.00 H new ATOM 0 HH12 ARG A 38 5.214 33.315 -11.453 1.00 0.00 H new ATOM 0 HH21 ARG A 38 5.179 31.344 -14.281 1.00 0.00 H new ATOM 0 HH22 ARG A 38 5.937 32.682 -13.410 1.00 0.00 H new ATOM 602 N LYS A 39 -2.758 30.589 -9.542 1.00 0.00 N ATOM 603 CA LYS A 39 -3.539 29.935 -8.472 1.00 0.00 C ATOM 604 C LYS A 39 -2.682 28.885 -7.762 1.00 0.00 C ATOM 605 O LYS A 39 -1.767 28.317 -8.353 1.00 0.00 O ATOM 606 CB LYS A 39 -4.855 29.340 -9.016 1.00 0.00 C ATOM 607 CG LYS A 39 -5.829 30.425 -9.510 1.00 0.00 C ATOM 608 CD LYS A 39 -5.721 30.721 -11.017 1.00 0.00 C ATOM 609 CE LYS A 39 -6.278 32.105 -11.393 1.00 0.00 C ATOM 610 NZ LYS A 39 -7.715 32.269 -11.032 1.00 0.00 N ATOM 0 H LYS A 39 -2.921 30.191 -10.467 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.822 30.689 -7.738 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -4.631 28.657 -9.835 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.336 28.753 -8.234 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -6.849 30.115 -9.283 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -5.645 31.345 -8.955 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -4.676 30.660 -11.321 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -6.260 29.954 -11.573 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -5.692 32.875 -10.891 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -6.158 32.261 -12.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -8.091 33.127 -11.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -8.252 31.441 -11.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -7.806 32.353 -9.999 1.00 0.00 H new ATOM 624 N VAL A 40 -2.962 28.614 -6.490 1.00 0.00 N ATOM 625 CA VAL A 40 -2.172 27.675 -5.668 1.00 0.00 C ATOM 626 C VAL A 40 -3.070 26.941 -4.675 1.00 0.00 C ATOM 627 O VAL A 40 -3.862 27.567 -3.978 1.00 0.00 O ATOM 628 CB VAL A 40 -0.998 28.432 -5.006 1.00 0.00 C ATOM 629 CG1 VAL A 40 -1.441 29.555 -4.069 1.00 0.00 C ATOM 630 CG2 VAL A 40 -0.030 27.529 -4.240 1.00 0.00 C ATOM 0 H VAL A 40 -3.744 29.036 -5.990 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.735 26.899 -6.296 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.478 28.863 -5.862 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.563 30.040 -3.642 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.024 30.287 -4.628 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.052 29.140 -3.267 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.765 28.134 -3.805 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.567 27.011 -3.446 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.403 26.798 -4.923 1.00 0.00 H new ATOM 640 N CYS A 41 -2.958 25.614 -4.597 1.00 0.00 N ATOM 641 CA CYS A 41 -3.709 24.803 -3.637 1.00 0.00 C ATOM 642 C CYS A 41 -2.935 24.735 -2.319 1.00 0.00 C ATOM 643 O CYS A 41 -1.718 24.549 -2.336 1.00 0.00 O ATOM 644 CB CYS A 41 -3.951 23.397 -4.204 1.00 0.00 C ATOM 645 SG CYS A 41 -5.300 23.439 -5.418 1.00 0.00 S ATOM 0 H CYS A 41 -2.342 25.069 -5.200 1.00 0.00 H new ATOM 0 HA CYS A 41 -4.681 25.261 -3.452 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -3.041 23.024 -4.673 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -4.199 22.708 -3.396 1.00 0.00 H new ATOM 0 HG CYS A 41 -5.466 22.253 -5.924 1.00 0.00 H new ATOM 651 N PHE A 42 -3.639 24.869 -1.192 1.00 0.00 N ATOM 652 CA PHE A 42 -3.059 24.765 0.157 1.00 0.00 C ATOM 653 C PHE A 42 -3.650 23.633 1.008 1.00 0.00 C ATOM 654 O PHE A 42 -4.829 23.298 0.896 1.00 0.00 O ATOM 655 CB PHE A 42 -3.115 26.122 0.886 1.00 0.00 C ATOM 656 CG PHE A 42 -4.457 26.515 1.477 1.00 0.00 C ATOM 657 CD1 PHE A 42 -4.789 26.147 2.797 1.00 0.00 C ATOM 658 CD2 PHE A 42 -5.360 27.284 0.722 1.00 0.00 C ATOM 659 CE1 PHE A 42 -6.020 26.540 3.352 1.00 0.00 C ATOM 660 CE2 PHE A 42 -6.582 27.695 1.282 1.00 0.00 C ATOM 661 CZ PHE A 42 -6.916 27.317 2.595 1.00 0.00 C ATOM 0 H PHE A 42 -4.642 25.055 -1.187 1.00 0.00 H new ATOM 0 HA PHE A 42 -2.014 24.491 0.015 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -2.378 26.109 1.689 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -2.809 26.899 0.186 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -4.096 25.562 3.383 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -5.114 27.560 -0.293 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -6.277 26.246 4.359 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -7.264 28.301 0.704 1.00 0.00 H new ATOM 0 HZ PHE A 42 -7.860 27.623 3.022 1.00 0.00 H new ATOM 671 N LYS A 43 -2.825 23.083 1.904 1.00 0.00 N ATOM 672 CA LYS A 43 -3.197 22.114 2.952 1.00 0.00 C ATOM 673 C LYS A 43 -2.536 22.436 4.302 1.00 0.00 C ATOM 674 O LYS A 43 -1.451 23.014 4.324 1.00 0.00 O ATOM 675 CB LYS A 43 -2.811 20.694 2.496 1.00 0.00 C ATOM 676 CG LYS A 43 -3.770 20.085 1.465 1.00 0.00 C ATOM 677 CD LYS A 43 -3.285 18.689 1.046 1.00 0.00 C ATOM 678 CE LYS A 43 -4.356 17.974 0.207 1.00 0.00 C ATOM 679 NZ LYS A 43 -3.892 16.634 -0.257 1.00 0.00 N ATOM 0 H LYS A 43 -1.831 23.309 1.923 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.275 22.178 3.100 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.807 20.721 2.072 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.771 20.042 3.369 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.773 20.018 1.886 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.834 20.733 0.591 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.363 18.776 0.471 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.054 18.097 1.932 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.265 17.860 0.798 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.612 18.589 -0.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.622 15.923 -0.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -3.718 16.663 -1.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.012 16.381 0.236 1.00 0.00 H new ATOM 693 N VAL A 44 -3.152 22.032 5.419 1.00 0.00 N ATOM 694 CA VAL A 44 -2.623 22.224 6.788 1.00 0.00 C ATOM 695 C VAL A 44 -2.379 20.885 7.494 1.00 0.00 C ATOM 696 O VAL A 44 -3.202 19.971 7.433 1.00 0.00 O ATOM 697 CB VAL A 44 -3.536 23.139 7.637 1.00 0.00 C ATOM 698 CG1 VAL A 44 -2.797 23.598 8.897 1.00 0.00 C ATOM 699 CG2 VAL A 44 -3.938 24.401 6.856 1.00 0.00 C ATOM 0 H VAL A 44 -4.052 21.552 5.404 1.00 0.00 H new ATOM 0 HA VAL A 44 -1.661 22.726 6.685 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.424 22.561 7.893 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.449 24.242 9.487 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.513 22.728 9.489 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.902 24.151 8.613 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.580 25.025 7.478 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.043 24.960 6.582 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.477 24.114 5.953 1.00 0.00 H new ATOM 709 N LYS A 45 -1.252 20.788 8.205 1.00 0.00 N ATOM 710 CA LYS A 45 -0.826 19.638 9.016 1.00 0.00 C ATOM 711 C LYS A 45 -0.484 20.068 10.449 1.00 0.00 C ATOM 712 O LYS A 45 -0.010 21.180 10.675 1.00 0.00 O ATOM 713 CB LYS A 45 0.372 18.951 8.329 1.00 0.00 C ATOM 714 CG LYS A 45 -0.031 18.136 7.091 1.00 0.00 C ATOM 715 CD LYS A 45 1.197 17.659 6.301 1.00 0.00 C ATOM 716 CE LYS A 45 0.759 16.701 5.181 1.00 0.00 C ATOM 717 NZ LYS A 45 1.904 16.258 4.334 1.00 0.00 N ATOM 0 H LYS A 45 -0.574 21.549 8.233 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.647 18.925 9.089 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.099 19.708 8.037 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.866 18.294 9.045 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.623 17.274 7.399 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.665 18.744 6.446 1.00 0.00 H new ATOM 0 HD2 LYS A 45 1.721 18.515 5.875 1.00 0.00 H new ATOM 0 HD3 LYS A 45 1.897 17.156 6.968 1.00 0.00 H new ATOM 0 HE2 LYS A 45 0.276 15.828 5.621 1.00 0.00 H new ATOM 0 HE3 LYS A 45 0.016 17.194 4.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 1.671 15.350 3.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 2.090 16.971 3.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 2.751 16.143 4.927 1.00 0.00 H new ATOM 731 N THR A 46 -0.713 19.176 11.410 1.00 0.00 N ATOM 732 CA THR A 46 -0.495 19.386 12.859 1.00 0.00 C ATOM 733 C THR A 46 0.152 18.150 13.482 1.00 0.00 C ATOM 734 O THR A 46 0.007 17.053 12.953 1.00 0.00 O ATOM 735 CB THR A 46 -1.818 19.718 13.581 1.00 0.00 C ATOM 736 OG1 THR A 46 -1.583 19.885 14.959 1.00 0.00 O ATOM 737 CG2 THR A 46 -2.873 18.614 13.478 1.00 0.00 C ATOM 0 H THR A 46 -1.071 18.244 11.202 1.00 0.00 H new ATOM 0 HA THR A 46 0.177 20.236 12.978 1.00 0.00 H new ATOM 0 HB THR A 46 -2.187 20.619 13.092 1.00 0.00 H new ATOM 0 HG1 THR A 46 -2.315 19.478 15.467 1.00 0.00 H new ATOM 0 HG21 THR A 46 -3.774 18.921 14.010 1.00 0.00 H new ATOM 0 HG22 THR A 46 -3.113 18.437 12.430 1.00 0.00 H new ATOM 0 HG23 THR A 46 -2.485 17.697 13.921 1.00 0.00 H new ATOM 745 N THR A 47 0.840 18.280 14.613 1.00 0.00 N ATOM 746 CA THR A 47 1.366 17.129 15.368 1.00 0.00 C ATOM 747 C THR A 47 0.313 16.406 16.218 1.00 0.00 C ATOM 748 O THR A 47 0.595 15.327 16.742 1.00 0.00 O ATOM 749 CB THR A 47 2.538 17.559 16.255 1.00 0.00 C ATOM 750 OG1 THR A 47 2.169 18.670 17.041 1.00 0.00 O ATOM 751 CG2 THR A 47 3.729 18.001 15.419 1.00 0.00 C ATOM 0 H THR A 47 1.053 19.183 15.038 1.00 0.00 H new ATOM 0 HA THR A 47 1.702 16.414 14.617 1.00 0.00 H new ATOM 0 HB THR A 47 2.801 16.699 16.871 1.00 0.00 H new ATOM 0 HG1 THR A 47 2.092 18.396 17.979 1.00 0.00 H new ATOM 0 HG21 THR A 47 4.545 18.300 16.077 1.00 0.00 H new ATOM 0 HG22 THR A 47 4.057 17.175 14.787 1.00 0.00 H new ATOM 0 HG23 THR A 47 3.440 18.845 14.792 1.00 0.00 H new ATOM 759 N ALA A 48 -0.886 16.986 16.398 1.00 0.00 N ATOM 760 CA ALA A 48 -1.914 16.436 17.292 1.00 0.00 C ATOM 761 C ALA A 48 -3.369 16.700 16.831 1.00 0.00 C ATOM 762 O ALA A 48 -3.984 17.668 17.276 1.00 0.00 O ATOM 763 CB ALA A 48 -1.643 17.001 18.701 1.00 0.00 C ATOM 0 H ALA A 48 -1.167 17.847 15.928 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.838 15.349 17.283 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.388 16.615 19.397 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -0.648 16.699 19.029 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.701 18.089 18.674 1.00 0.00 H new ATOM 769 N PRO A 49 -4.004 15.798 16.049 1.00 0.00 N ATOM 770 CA PRO A 49 -5.426 15.911 15.662 1.00 0.00 C ATOM 771 C PRO A 49 -6.389 15.912 16.864 1.00 0.00 C ATOM 772 O PRO A 49 -7.482 16.474 16.807 1.00 0.00 O ATOM 773 CB PRO A 49 -5.686 14.704 14.749 1.00 0.00 C ATOM 774 CG PRO A 49 -4.306 14.408 14.174 1.00 0.00 C ATOM 775 CD PRO A 49 -3.411 14.644 15.384 1.00 0.00 C ATOM 0 HA PRO A 49 -5.611 16.864 15.167 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -6.082 13.855 15.305 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -6.408 14.937 13.967 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.229 13.387 13.800 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -4.057 15.071 13.345 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.391 13.774 16.040 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -2.382 14.842 15.085 1.00 0.00 H new ATOM 783 N ARG A 50 -5.937 15.328 17.984 1.00 0.00 N ATOM 784 CA ARG A 50 -6.602 15.318 19.302 1.00 0.00 C ATOM 785 C ARG A 50 -6.295 16.527 20.206 1.00 0.00 C ATOM 786 O ARG A 50 -6.661 16.526 21.380 1.00 0.00 O ATOM 787 CB ARG A 50 -6.490 13.914 19.935 1.00 0.00 C ATOM 788 CG ARG A 50 -5.082 13.298 20.000 1.00 0.00 C ATOM 789 CD ARG A 50 -4.172 13.978 21.029 1.00 0.00 C ATOM 790 NE ARG A 50 -2.967 13.149 21.257 1.00 0.00 N ATOM 791 CZ ARG A 50 -2.909 12.040 21.980 1.00 0.00 C ATOM 792 NH1 ARG A 50 -3.814 11.725 22.856 1.00 0.00 N ATOM 793 NH2 ARG A 50 -1.957 11.174 21.821 1.00 0.00 N ATOM 0 H ARG A 50 -5.051 14.822 17.999 1.00 0.00 H new ATOM 0 HA ARG A 50 -7.667 15.491 19.149 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -6.887 13.965 20.949 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -7.133 13.235 19.375 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -5.167 12.239 20.243 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -4.618 13.363 19.016 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -3.882 14.967 20.675 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -4.710 14.120 21.966 1.00 0.00 H new ATOM 0 HE ARG A 50 -2.101 13.460 20.817 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -4.611 12.342 23.010 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -3.728 10.860 23.390 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -1.229 11.338 21.126 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -1.936 10.328 22.391 1.00 0.00 H new ATOM 807 N ARG A 51 -5.634 17.564 19.673 1.00 0.00 N ATOM 808 CA ARG A 51 -5.441 18.888 20.315 1.00 0.00 C ATOM 809 C ARG A 51 -5.678 20.082 19.383 1.00 0.00 C ATOM 810 O ARG A 51 -5.957 21.161 19.894 1.00 0.00 O ATOM 811 CB ARG A 51 -4.046 18.991 20.969 1.00 0.00 C ATOM 812 CG ARG A 51 -3.845 18.095 22.203 1.00 0.00 C ATOM 813 CD ARG A 51 -4.757 18.494 23.374 1.00 0.00 C ATOM 814 NE ARG A 51 -4.547 17.628 24.550 1.00 0.00 N ATOM 815 CZ ARG A 51 -5.247 16.562 24.904 1.00 0.00 C ATOM 816 NH1 ARG A 51 -6.184 16.051 24.155 1.00 0.00 N ATOM 817 NH2 ARG A 51 -5.007 15.978 26.042 1.00 0.00 N ATOM 0 H ARG A 51 -5.201 17.510 18.751 1.00 0.00 H new ATOM 0 HA ARG A 51 -6.212 18.946 21.084 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -3.292 18.735 20.225 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -3.871 20.027 21.257 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -4.041 17.058 21.931 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -2.804 18.150 22.522 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -4.565 19.532 23.647 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -5.799 18.435 23.060 1.00 0.00 H new ATOM 0 HE ARG A 51 -3.771 17.881 25.162 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -6.404 16.474 23.254 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -6.697 15.228 24.471 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -4.281 16.342 26.659 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -5.545 15.156 26.317 1.00 0.00 H new ATOM 831 N TYR A 52 -5.656 19.911 18.061 1.00 0.00 N ATOM 832 CA TYR A 52 -5.889 20.992 17.091 1.00 0.00 C ATOM 833 C TYR A 52 -6.911 20.617 16.016 1.00 0.00 C ATOM 834 O TYR A 52 -6.874 19.521 15.456 1.00 0.00 O ATOM 835 CB TYR A 52 -4.571 21.389 16.420 1.00 0.00 C ATOM 836 CG TYR A 52 -3.492 21.796 17.397 1.00 0.00 C ATOM 837 CD1 TYR A 52 -3.395 23.125 17.849 1.00 0.00 C ATOM 838 CD2 TYR A 52 -2.618 20.815 17.893 1.00 0.00 C ATOM 839 CE1 TYR A 52 -2.406 23.472 18.789 1.00 0.00 C ATOM 840 CE2 TYR A 52 -1.681 21.141 18.886 1.00 0.00 C ATOM 841 CZ TYR A 52 -1.580 22.471 19.341 1.00 0.00 C ATOM 842 OH TYR A 52 -0.716 22.776 20.337 1.00 0.00 O ATOM 0 H TYR A 52 -5.474 19.008 17.624 1.00 0.00 H new ATOM 0 HA TYR A 52 -6.298 21.832 17.652 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -4.211 20.552 15.822 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -4.757 22.214 15.733 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -4.076 23.876 17.476 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -2.667 19.807 17.509 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -2.280 24.502 19.087 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -1.040 20.376 19.299 1.00 0.00 H new ATOM 0 HH TYR A 52 -0.352 21.950 20.719 1.00 0.00 H new ATOM 852 N CYS A 53 -7.778 21.573 15.679 1.00 0.00 N ATOM 853 CA CYS A 53 -8.728 21.493 14.571 1.00 0.00 C ATOM 854 C CYS A 53 -8.546 22.695 13.625 1.00 0.00 C ATOM 855 O CYS A 53 -8.292 23.807 14.080 1.00 0.00 O ATOM 856 CB CYS A 53 -10.153 21.361 15.143 1.00 0.00 C ATOM 857 SG CYS A 53 -10.254 19.927 16.258 1.00 0.00 S ATOM 0 H CYS A 53 -7.839 22.455 16.188 1.00 0.00 H new ATOM 0 HA CYS A 53 -8.543 20.608 13.963 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -10.422 22.269 15.682 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -10.870 21.249 14.330 1.00 0.00 H new ATOM 0 HG CYS A 53 -11.387 19.951 16.894 1.00 0.00 H new ATOM 863 N VAL A 54 -8.654 22.480 12.315 1.00 0.00 N ATOM 864 CA VAL A 54 -8.406 23.463 11.239 1.00 0.00 C ATOM 865 C VAL A 54 -9.642 23.475 10.342 1.00 0.00 C ATOM 866 O VAL A 54 -9.759 22.610 9.479 1.00 0.00 O ATOM 867 CB VAL A 54 -7.134 23.095 10.459 1.00 0.00 C ATOM 868 CG1 VAL A 54 -6.855 24.172 9.405 1.00 0.00 C ATOM 869 CG2 VAL A 54 -5.907 23.054 11.383 1.00 0.00 C ATOM 0 H VAL A 54 -8.931 21.570 11.947 1.00 0.00 H new ATOM 0 HA VAL A 54 -8.240 24.460 11.647 1.00 0.00 H new ATOM 0 HB VAL A 54 -7.298 22.116 10.009 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -5.953 23.913 8.850 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -7.698 24.235 8.717 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.715 25.135 9.897 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.023 22.791 10.802 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.763 24.033 11.840 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -6.064 22.309 12.163 1.00 0.00 H new ATOM 879 N ARG A 55 -10.564 24.437 10.502 1.00 0.00 N ATOM 880 CA ARG A 55 -11.895 24.384 9.847 1.00 0.00 C ATOM 881 C ARG A 55 -11.925 24.102 8.341 1.00 0.00 C ATOM 882 O ARG A 55 -12.571 23.131 7.943 1.00 0.00 O ATOM 883 CB ARG A 55 -12.774 25.590 10.221 1.00 0.00 C ATOM 884 CG ARG A 55 -14.266 25.258 10.049 1.00 0.00 C ATOM 885 CD ARG A 55 -15.161 26.388 10.571 1.00 0.00 C ATOM 886 NE ARG A 55 -16.590 26.057 10.398 1.00 0.00 N ATOM 887 CZ ARG A 55 -17.625 26.775 10.802 1.00 0.00 C ATOM 888 NH1 ARG A 55 -17.479 27.910 11.426 1.00 0.00 N ATOM 889 NH2 ARG A 55 -18.839 26.358 10.581 1.00 0.00 N ATOM 0 H ARG A 55 -10.419 25.265 11.079 1.00 0.00 H new ATOM 0 HA ARG A 55 -12.330 23.479 10.272 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -12.579 25.881 11.253 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -12.513 26.443 9.595 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -14.480 25.081 8.995 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -14.497 24.335 10.581 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -14.951 26.565 11.626 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -14.932 27.312 10.041 1.00 0.00 H new ATOM 0 HE ARG A 55 -16.801 25.183 9.916 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -16.544 28.270 11.617 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -18.300 28.438 11.723 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -18.994 25.475 10.095 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -19.634 26.915 10.894 1.00 0.00 H new ATOM 903 N PRO A 56 -11.228 24.884 7.500 1.00 0.00 N ATOM 904 CA PRO A 56 -11.093 24.568 6.079 1.00 0.00 C ATOM 905 C PRO A 56 -10.381 23.238 5.780 1.00 0.00 C ATOM 906 O PRO A 56 -10.708 22.575 4.800 1.00 0.00 O ATOM 907 CB PRO A 56 -10.237 25.702 5.498 1.00 0.00 C ATOM 908 CG PRO A 56 -9.547 26.288 6.730 1.00 0.00 C ATOM 909 CD PRO A 56 -10.618 26.173 7.783 1.00 0.00 C ATOM 0 HA PRO A 56 -12.090 24.471 5.650 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -9.515 25.329 4.772 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -10.848 26.446 4.987 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -8.651 25.729 6.999 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -9.242 27.322 6.572 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -10.199 26.208 8.789 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -11.342 26.985 7.711 1.00 0.00 H new ATOM 917 N ASN A 57 -9.369 22.898 6.594 1.00 0.00 N ATOM 918 CA ASN A 57 -8.353 21.832 6.477 1.00 0.00 C ATOM 919 C ASN A 57 -7.434 21.963 5.240 1.00 0.00 C ATOM 920 O ASN A 57 -6.283 21.520 5.252 1.00 0.00 O ATOM 921 CB ASN A 57 -8.979 20.436 6.691 1.00 0.00 C ATOM 922 CG ASN A 57 -9.720 19.851 5.493 1.00 0.00 C ATOM 923 OD1 ASN A 57 -9.209 19.776 4.383 1.00 0.00 O ATOM 924 ND2 ASN A 57 -10.930 19.374 5.679 1.00 0.00 N ATOM 0 H ASN A 57 -9.224 23.426 7.455 1.00 0.00 H new ATOM 0 HA ASN A 57 -7.649 21.969 7.298 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -8.188 19.744 6.978 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -9.672 20.494 7.530 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -11.434 18.946 4.903 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -11.365 19.431 6.600 1.00 0.00 H new ATOM 931 N SER A 58 -7.931 22.621 4.195 1.00 0.00 N ATOM 932 CA SER A 58 -7.319 22.783 2.874 1.00 0.00 C ATOM 933 C SER A 58 -8.114 23.790 2.028 1.00 0.00 C ATOM 934 O SER A 58 -9.217 24.202 2.404 1.00 0.00 O ATOM 935 CB SER A 58 -7.283 21.430 2.141 1.00 0.00 C ATOM 936 OG SER A 58 -8.574 20.871 1.982 1.00 0.00 O ATOM 0 H SER A 58 -8.836 23.089 4.251 1.00 0.00 H new ATOM 0 HA SER A 58 -6.304 23.155 3.013 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.823 21.562 1.161 1.00 0.00 H new ATOM 0 HB3 SER A 58 -6.654 20.735 2.697 1.00 0.00 H new ATOM 0 HG SER A 58 -8.850 20.443 2.819 1.00 0.00 H new ATOM 942 N GLY A 59 -7.571 24.183 0.876 1.00 0.00 N ATOM 943 CA GLY A 59 -8.269 25.056 -0.072 1.00 0.00 C ATOM 944 C GLY A 59 -7.402 25.504 -1.243 1.00 0.00 C ATOM 945 O GLY A 59 -6.405 24.865 -1.571 1.00 0.00 O ATOM 0 H GLY A 59 -6.637 23.907 0.573 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -9.144 24.533 -0.458 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.632 25.937 0.458 1.00 0.00 H new ATOM 949 N ILE A 60 -7.781 26.608 -1.888 1.00 0.00 N ATOM 950 CA ILE A 60 -7.025 27.247 -2.980 1.00 0.00 C ATOM 951 C ILE A 60 -6.955 28.768 -2.750 1.00 0.00 C ATOM 952 O ILE A 60 -7.929 29.361 -2.278 1.00 0.00 O ATOM 953 CB ILE A 60 -7.655 26.920 -4.357 1.00 0.00 C ATOM 954 CG1 ILE A 60 -8.203 25.476 -4.485 1.00 0.00 C ATOM 955 CG2 ILE A 60 -6.683 27.253 -5.508 1.00 0.00 C ATOM 956 CD1 ILE A 60 -8.765 25.119 -5.868 1.00 0.00 C ATOM 0 H ILE A 60 -8.646 27.100 -1.663 1.00 0.00 H new ATOM 0 HA ILE A 60 -6.010 26.849 -2.982 1.00 0.00 H new ATOM 0 HB ILE A 60 -8.529 27.566 -4.434 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -7.403 24.776 -4.242 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -8.988 25.333 -3.742 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -7.153 27.013 -6.462 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -6.438 28.315 -5.481 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -5.771 26.667 -5.395 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -9.124 24.090 -5.860 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -9.590 25.789 -6.110 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -7.981 25.224 -6.618 1.00 0.00 H new ATOM 968 N ILE A 61 -5.835 29.407 -3.108 1.00 0.00 N ATOM 969 CA ILE A 61 -5.667 30.872 -3.108 1.00 0.00 C ATOM 970 C ILE A 61 -5.462 31.395 -4.535 1.00 0.00 C ATOM 971 O ILE A 61 -4.662 30.859 -5.305 1.00 0.00 O ATOM 972 CB ILE A 61 -4.539 31.327 -2.151 1.00 0.00 C ATOM 973 CG1 ILE A 61 -4.671 30.603 -0.794 1.00 0.00 C ATOM 974 CG2 ILE A 61 -4.574 32.861 -1.992 1.00 0.00 C ATOM 975 CD1 ILE A 61 -3.839 31.185 0.349 1.00 0.00 C ATOM 0 H ILE A 61 -4.998 28.911 -3.414 1.00 0.00 H new ATOM 0 HA ILE A 61 -6.587 31.313 -2.724 1.00 0.00 H new ATOM 0 HB ILE A 61 -3.570 31.059 -2.572 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -5.720 30.613 -0.498 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -4.388 29.559 -0.930 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -3.778 33.175 -1.317 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -4.432 33.331 -2.965 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -5.538 33.162 -1.581 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.006 30.602 1.254 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.782 31.149 0.085 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -4.134 32.219 0.524 1.00 0.00 H new ATOM 987 N ASP A 62 -6.165 32.476 -4.867 1.00 0.00 N ATOM 988 CA ASP A 62 -6.071 33.193 -6.148 1.00 0.00 C ATOM 989 C ASP A 62 -4.898 34.197 -6.176 1.00 0.00 C ATOM 990 O ASP A 62 -4.423 34.618 -5.116 1.00 0.00 O ATOM 991 CB ASP A 62 -7.419 33.881 -6.431 1.00 0.00 C ATOM 992 CG ASP A 62 -8.408 32.922 -7.110 1.00 0.00 C ATOM 993 OD1 ASP A 62 -8.220 32.631 -8.317 1.00 0.00 O ATOM 994 OD2 ASP A 62 -9.377 32.474 -6.450 1.00 0.00 O ATOM 0 H ASP A 62 -6.843 32.896 -4.231 1.00 0.00 H new ATOM 0 HA ASP A 62 -5.859 32.473 -6.938 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -7.846 34.245 -5.497 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.258 34.751 -7.068 1.00 0.00 H new ATOM 999 N PRO A 63 -4.405 34.612 -7.359 1.00 0.00 N ATOM 1000 CA PRO A 63 -3.320 35.588 -7.467 1.00 0.00 C ATOM 1001 C PRO A 63 -3.631 36.901 -6.732 1.00 0.00 C ATOM 1002 O PRO A 63 -4.733 37.451 -6.838 1.00 0.00 O ATOM 1003 CB PRO A 63 -3.114 35.812 -8.967 1.00 0.00 C ATOM 1004 CG PRO A 63 -4.437 35.386 -9.597 1.00 0.00 C ATOM 1005 CD PRO A 63 -4.861 34.236 -8.689 1.00 0.00 C ATOM 0 HA PRO A 63 -2.415 35.214 -6.988 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -2.887 36.855 -9.186 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -2.283 35.218 -9.347 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -5.167 36.195 -9.600 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -4.313 35.065 -10.631 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -5.942 34.096 -8.710 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -4.411 33.296 -9.008 1.00 0.00 H new ATOM 1013 N GLY A 64 -2.665 37.385 -5.946 1.00 0.00 N ATOM 1014 CA GLY A 64 -2.766 38.617 -5.147 1.00 0.00 C ATOM 1015 C GLY A 64 -3.765 38.561 -3.988 1.00 0.00 C ATOM 1016 O GLY A 64 -3.927 39.559 -3.282 1.00 0.00 O ATOM 0 H GLY A 64 -1.763 36.919 -5.843 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -1.780 38.853 -4.745 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -3.046 39.438 -5.808 1.00 0.00 H new ATOM 1020 N SER A 65 -4.418 37.416 -3.776 1.00 0.00 N ATOM 1021 CA SER A 65 -5.550 37.266 -2.856 1.00 0.00 C ATOM 1022 C SER A 65 -5.167 36.570 -1.545 1.00 0.00 C ATOM 1023 O SER A 65 -4.098 35.963 -1.446 1.00 0.00 O ATOM 1024 CB SER A 65 -6.695 36.532 -3.573 1.00 0.00 C ATOM 1025 OG SER A 65 -7.027 37.178 -4.794 1.00 0.00 O ATOM 0 H SER A 65 -4.170 36.547 -4.249 1.00 0.00 H new ATOM 0 HA SER A 65 -5.883 38.263 -2.569 1.00 0.00 H new ATOM 0 HB2 SER A 65 -6.403 35.500 -3.771 1.00 0.00 H new ATOM 0 HB3 SER A 65 -7.571 36.497 -2.926 1.00 0.00 H new ATOM 0 HG SER A 65 -6.282 37.089 -5.424 1.00 0.00 H new ATOM 1031 N THR A 66 -6.046 36.658 -0.540 1.00 0.00 N ATOM 1032 CA THR A 66 -5.808 36.169 0.835 1.00 0.00 C ATOM 1033 C THR A 66 -6.931 35.240 1.313 1.00 0.00 C ATOM 1034 O THR A 66 -8.107 35.493 1.040 1.00 0.00 O ATOM 1035 CB THR A 66 -5.658 37.337 1.835 1.00 0.00 C ATOM 1036 OG1 THR A 66 -4.824 38.346 1.311 1.00 0.00 O ATOM 1037 CG2 THR A 66 -5.042 36.936 3.183 1.00 0.00 C ATOM 0 H THR A 66 -6.967 37.081 -0.657 1.00 0.00 H new ATOM 0 HA THR A 66 -4.876 35.605 0.801 1.00 0.00 H new ATOM 0 HB THR A 66 -6.680 37.681 1.996 1.00 0.00 H new ATOM 0 HG1 THR A 66 -4.745 39.075 1.961 1.00 0.00 H new ATOM 0 HG21 THR A 66 -4.972 37.813 3.826 1.00 0.00 H new ATOM 0 HG22 THR A 66 -5.671 36.185 3.661 1.00 0.00 H new ATOM 0 HG23 THR A 66 -4.046 36.525 3.020 1.00 0.00 H new ATOM 1045 N VAL A 67 -6.581 34.196 2.075 1.00 0.00 N ATOM 1046 CA VAL A 67 -7.518 33.318 2.805 1.00 0.00 C ATOM 1047 C VAL A 67 -7.179 33.336 4.297 1.00 0.00 C ATOM 1048 O VAL A 67 -6.010 33.277 4.674 1.00 0.00 O ATOM 1049 CB VAL A 67 -7.507 31.873 2.254 1.00 0.00 C ATOM 1050 CG1 VAL A 67 -8.436 30.927 3.035 1.00 0.00 C ATOM 1051 CG2 VAL A 67 -7.960 31.852 0.788 1.00 0.00 C ATOM 0 H VAL A 67 -5.606 33.926 2.208 1.00 0.00 H new ATOM 0 HA VAL A 67 -8.528 33.702 2.659 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.479 31.526 2.358 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -8.386 29.928 2.602 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -8.121 30.887 4.078 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -9.460 31.295 2.979 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.946 30.827 0.417 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -8.972 32.251 0.714 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.285 32.463 0.190 1.00 0.00 H new ATOM 1061 N THR A 68 -8.200 33.390 5.152 1.00 0.00 N ATOM 1062 CA THR A 68 -8.073 33.291 6.608 1.00 0.00 C ATOM 1063 C THR A 68 -8.441 31.875 7.048 1.00 0.00 C ATOM 1064 O THR A 68 -9.560 31.408 6.825 1.00 0.00 O ATOM 1065 CB THR A 68 -8.964 34.324 7.310 1.00 0.00 C ATOM 1066 OG1 THR A 68 -8.713 35.620 6.809 1.00 0.00 O ATOM 1067 CG2 THR A 68 -8.691 34.368 8.808 1.00 0.00 C ATOM 0 H THR A 68 -9.165 33.507 4.844 1.00 0.00 H new ATOM 0 HA THR A 68 -7.042 33.502 6.890 1.00 0.00 H new ATOM 0 HB THR A 68 -9.995 34.023 7.122 1.00 0.00 H new ATOM 0 HG1 THR A 68 -9.291 36.265 7.267 1.00 0.00 H new ATOM 0 HG21 THR A 68 -9.339 35.110 9.274 1.00 0.00 H new ATOM 0 HG22 THR A 68 -8.889 33.388 9.243 1.00 0.00 H new ATOM 0 HG23 THR A 68 -7.649 34.637 8.980 1.00 0.00 H new ATOM 1075 N VAL A 69 -7.493 31.198 7.686 1.00 0.00 N ATOM 1076 CA VAL A 69 -7.618 29.833 8.220 1.00 0.00 C ATOM 1077 C VAL A 69 -7.780 29.902 9.738 1.00 0.00 C ATOM 1078 O VAL A 69 -6.915 30.435 10.427 1.00 0.00 O ATOM 1079 CB VAL A 69 -6.387 28.996 7.813 1.00 0.00 C ATOM 1080 CG1 VAL A 69 -6.354 27.621 8.486 1.00 0.00 C ATOM 1081 CG2 VAL A 69 -6.364 28.775 6.295 1.00 0.00 C ATOM 0 H VAL A 69 -6.571 31.598 7.857 1.00 0.00 H new ATOM 0 HA VAL A 69 -8.499 29.344 7.804 1.00 0.00 H new ATOM 0 HB VAL A 69 -5.518 29.567 8.140 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -5.466 27.078 8.162 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -6.327 27.746 9.568 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.245 27.058 8.208 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -5.489 28.183 6.027 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -7.267 28.246 5.991 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -6.319 29.739 5.788 1.00 0.00 H new ATOM 1091 N SER A 70 -8.874 29.362 10.270 1.00 0.00 N ATOM 1092 CA SER A 70 -9.131 29.272 11.715 1.00 0.00 C ATOM 1093 C SER A 70 -8.548 27.983 12.305 1.00 0.00 C ATOM 1094 O SER A 70 -8.820 26.877 11.835 1.00 0.00 O ATOM 1095 CB SER A 70 -10.633 29.412 11.999 1.00 0.00 C ATOM 1096 OG SER A 70 -11.400 28.552 11.172 1.00 0.00 O ATOM 0 H SER A 70 -9.624 28.966 9.703 1.00 0.00 H new ATOM 0 HA SER A 70 -8.623 30.099 12.211 1.00 0.00 H new ATOM 0 HB2 SER A 70 -10.829 29.182 13.046 1.00 0.00 H new ATOM 0 HB3 SER A 70 -10.941 30.445 11.836 1.00 0.00 H new ATOM 0 HG SER A 70 -12.352 28.663 11.378 1.00 0.00 H new ATOM 1102 N VAL A 71 -7.751 28.142 13.364 1.00 0.00 N ATOM 1103 CA VAL A 71 -7.206 27.064 14.194 1.00 0.00 C ATOM 1104 C VAL A 71 -7.948 27.067 15.526 1.00 0.00 C ATOM 1105 O VAL A 71 -8.060 28.105 16.177 1.00 0.00 O ATOM 1106 CB VAL A 71 -5.687 27.211 14.410 1.00 0.00 C ATOM 1107 CG1 VAL A 71 -5.144 26.037 15.235 1.00 0.00 C ATOM 1108 CG2 VAL A 71 -4.932 27.244 13.074 1.00 0.00 C ATOM 0 H VAL A 71 -7.455 29.065 13.681 1.00 0.00 H new ATOM 0 HA VAL A 71 -7.351 26.112 13.683 1.00 0.00 H new ATOM 0 HB VAL A 71 -5.531 28.151 14.940 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -4.070 26.158 15.377 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -5.638 26.015 16.206 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -5.337 25.102 14.709 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -3.863 27.348 13.262 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -5.116 26.318 12.529 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -5.280 28.089 12.480 1.00 0.00 H new ATOM 1118 N MET A 72 -8.443 25.900 15.927 1.00 0.00 N ATOM 1119 CA MET A 72 -9.176 25.659 17.168 1.00 0.00 C ATOM 1120 C MET A 72 -8.359 24.699 18.037 1.00 0.00 C ATOM 1121 O MET A 72 -8.352 23.484 17.818 1.00 0.00 O ATOM 1122 CB MET A 72 -10.561 25.101 16.807 1.00 0.00 C ATOM 1123 CG MET A 72 -11.473 26.176 16.199 1.00 0.00 C ATOM 1124 SD MET A 72 -13.057 25.560 15.557 1.00 0.00 S ATOM 1125 CE MET A 72 -12.498 24.639 14.092 1.00 0.00 C ATOM 0 H MET A 72 -8.339 25.053 15.368 1.00 0.00 H new ATOM 0 HA MET A 72 -9.324 26.574 17.741 1.00 0.00 H new ATOM 0 HB2 MET A 72 -10.448 24.279 16.100 1.00 0.00 H new ATOM 0 HB3 MET A 72 -11.031 24.690 17.701 1.00 0.00 H new ATOM 0 HG2 MET A 72 -11.674 26.933 16.957 1.00 0.00 H new ATOM 0 HG3 MET A 72 -10.937 26.671 15.389 1.00 0.00 H new ATOM 0 HE1 MET A 72 -13.361 24.351 13.492 1.00 0.00 H new ATOM 0 HE2 MET A 72 -11.836 25.269 13.497 1.00 0.00 H new ATOM 0 HE3 MET A 72 -11.961 23.745 14.408 1.00 0.00 H new ATOM 1135 N LEU A 73 -7.672 25.251 19.033 1.00 0.00 N ATOM 1136 CA LEU A 73 -6.770 24.543 19.942 1.00 0.00 C ATOM 1137 C LEU A 73 -7.551 24.158 21.201 1.00 0.00 C ATOM 1138 O LEU A 73 -8.165 24.999 21.856 1.00 0.00 O ATOM 1139 CB LEU A 73 -5.542 25.435 20.164 1.00 0.00 C ATOM 1140 CG LEU A 73 -4.497 25.043 21.226 1.00 0.00 C ATOM 1141 CD1 LEU A 73 -4.755 25.760 22.550 1.00 0.00 C ATOM 1142 CD2 LEU A 73 -4.294 23.554 21.513 1.00 0.00 C ATOM 0 H LEU A 73 -7.730 26.248 19.239 1.00 0.00 H new ATOM 0 HA LEU A 73 -6.393 23.602 19.542 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -5.022 25.517 19.210 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -5.904 26.432 20.416 1.00 0.00 H new ATOM 0 HG LEU A 73 -3.570 25.367 20.753 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -4.001 25.462 23.278 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -4.705 26.838 22.396 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -5.744 25.492 22.922 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -3.530 23.432 22.280 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -5.231 23.120 21.862 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -3.977 23.048 20.601 1.00 0.00 H new ATOM 1154 N GLN A 74 -7.582 22.862 21.488 1.00 0.00 N ATOM 1155 CA GLN A 74 -8.439 22.259 22.513 1.00 0.00 C ATOM 1156 C GLN A 74 -7.926 22.536 23.948 1.00 0.00 C ATOM 1157 O GLN A 74 -6.714 22.662 24.148 1.00 0.00 O ATOM 1158 CB GLN A 74 -8.606 20.752 22.228 1.00 0.00 C ATOM 1159 CG GLN A 74 -9.142 20.409 20.820 1.00 0.00 C ATOM 1160 CD GLN A 74 -10.453 21.111 20.469 1.00 0.00 C ATOM 1161 OE1 GLN A 74 -11.496 20.852 21.051 1.00 0.00 O ATOM 1162 NE2 GLN A 74 -10.452 22.030 19.523 1.00 0.00 N ATOM 0 H GLN A 74 -6.998 22.180 21.004 1.00 0.00 H new ATOM 0 HA GLN A 74 -9.421 22.729 22.461 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -7.641 20.263 22.362 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -9.283 20.330 22.971 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -8.388 20.677 20.080 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -9.288 19.331 20.750 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -9.587 22.254 19.031 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -11.316 22.517 19.284 1.00 0.00 H new ATOM 1171 N PRO A 75 -8.819 22.637 24.957 1.00 0.00 N ATOM 1172 CA PRO A 75 -8.449 23.012 26.325 1.00 0.00 C ATOM 1173 C PRO A 75 -7.467 22.044 27.004 1.00 0.00 C ATOM 1174 O PRO A 75 -7.513 20.830 26.776 1.00 0.00 O ATOM 1175 CB PRO A 75 -9.765 23.113 27.102 1.00 0.00 C ATOM 1176 CG PRO A 75 -10.793 22.355 26.270 1.00 0.00 C ATOM 1177 CD PRO A 75 -10.266 22.490 24.845 1.00 0.00 C ATOM 0 HA PRO A 75 -7.905 23.956 26.307 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -9.667 22.677 28.096 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -10.061 24.153 27.238 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -10.865 21.311 26.574 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -11.789 22.786 26.372 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -10.523 21.613 24.250 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -10.707 23.353 24.347 1.00 0.00 H new ATOM 1185 N PHE A 76 -6.604 22.583 27.874 1.00 0.00 N ATOM 1186 CA PHE A 76 -5.656 21.814 28.695 1.00 0.00 C ATOM 1187 C PHE A 76 -5.230 22.550 29.980 1.00 0.00 C ATOM 1188 O PHE A 76 -5.475 23.744 30.163 1.00 0.00 O ATOM 1189 CB PHE A 76 -4.420 21.416 27.866 1.00 0.00 C ATOM 1190 CG PHE A 76 -3.481 22.548 27.494 1.00 0.00 C ATOM 1191 CD1 PHE A 76 -3.715 23.313 26.337 1.00 0.00 C ATOM 1192 CD2 PHE A 76 -2.346 22.814 28.288 1.00 0.00 C ATOM 1193 CE1 PHE A 76 -2.820 24.335 25.979 1.00 0.00 C ATOM 1194 CE2 PHE A 76 -1.458 23.843 27.930 1.00 0.00 C ATOM 1195 CZ PHE A 76 -1.695 24.604 26.774 1.00 0.00 C ATOM 0 H PHE A 76 -6.543 23.589 28.031 1.00 0.00 H new ATOM 0 HA PHE A 76 -6.183 20.914 29.013 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -3.856 20.670 28.426 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -4.761 20.936 26.949 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -4.582 23.115 25.724 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -2.159 22.225 29.174 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -2.999 24.917 25.087 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -0.594 24.048 28.544 1.00 0.00 H new ATOM 0 HZ PHE A 76 -1.013 25.395 26.497 1.00 0.00 H new ATOM 1205 N ASP A 77 -4.563 21.827 30.885 1.00 0.00 N ATOM 1206 CA ASP A 77 -4.049 22.360 32.154 1.00 0.00 C ATOM 1207 C ASP A 77 -2.732 23.145 31.962 1.00 0.00 C ATOM 1208 O ASP A 77 -1.632 22.599 32.087 1.00 0.00 O ATOM 1209 CB ASP A 77 -3.916 21.208 33.164 1.00 0.00 C ATOM 1210 CG ASP A 77 -3.434 21.693 34.543 1.00 0.00 C ATOM 1211 OD1 ASP A 77 -3.930 22.739 35.031 1.00 0.00 O ATOM 1212 OD2 ASP A 77 -2.586 21.007 35.166 1.00 0.00 O ATOM 0 H ASP A 77 -4.361 20.836 30.755 1.00 0.00 H new ATOM 0 HA ASP A 77 -4.757 23.086 32.552 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -4.880 20.710 33.273 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -3.216 20.467 32.777 1.00 0.00 H new ATOM 1217 N TYR A 78 -2.855 24.430 31.613 1.00 0.00 N ATOM 1218 CA TYR A 78 -1.726 25.329 31.353 1.00 0.00 C ATOM 1219 C TYR A 78 -0.813 25.518 32.580 1.00 0.00 C ATOM 1220 O TYR A 78 -1.277 25.793 33.689 1.00 0.00 O ATOM 1221 CB TYR A 78 -2.254 26.689 30.865 1.00 0.00 C ATOM 1222 CG TYR A 78 -1.169 27.738 30.673 1.00 0.00 C ATOM 1223 CD1 TYR A 78 -0.463 27.805 29.458 1.00 0.00 C ATOM 1224 CD2 TYR A 78 -0.840 28.621 31.723 1.00 0.00 C ATOM 1225 CE1 TYR A 78 0.556 28.763 29.286 1.00 0.00 C ATOM 1226 CE2 TYR A 78 0.183 29.575 31.555 1.00 0.00 C ATOM 1227 CZ TYR A 78 0.872 29.661 30.327 1.00 0.00 C ATOM 1228 OH TYR A 78 1.839 30.602 30.149 1.00 0.00 O ATOM 0 H TYR A 78 -3.762 24.884 31.501 1.00 0.00 H new ATOM 0 HA TYR A 78 -1.113 24.865 30.580 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -2.779 26.546 29.921 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -2.984 27.063 31.582 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -0.702 27.122 28.657 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -1.375 28.565 32.660 1.00 0.00 H new ATOM 0 HE1 TYR A 78 1.098 28.810 28.353 1.00 0.00 H new ATOM 0 HE2 TYR A 78 0.440 30.240 32.366 1.00 0.00 H new ATOM 0 HH TYR A 78 1.928 31.138 30.965 1.00 0.00 H new ATOM 1238 N ASP A 79 0.505 25.398 32.356 1.00 0.00 N ATOM 1239 CA ASP A 79 1.554 25.749 33.315 1.00 0.00 C ATOM 1240 C ASP A 79 2.555 26.731 32.658 1.00 0.00 C ATOM 1241 O ASP A 79 3.075 26.406 31.583 1.00 0.00 O ATOM 1242 CB ASP A 79 2.265 24.474 33.806 1.00 0.00 C ATOM 1243 CG ASP A 79 3.007 24.719 35.126 1.00 0.00 C ATOM 1244 OD1 ASP A 79 3.911 25.583 35.144 1.00 0.00 O ATOM 1245 OD2 ASP A 79 2.683 24.058 36.143 1.00 0.00 O ATOM 0 H ASP A 79 0.877 25.043 31.475 1.00 0.00 H new ATOM 0 HA ASP A 79 1.109 26.242 34.179 1.00 0.00 H new ATOM 0 HB2 ASP A 79 1.534 23.677 33.941 1.00 0.00 H new ATOM 0 HB3 ASP A 79 2.971 24.134 33.048 1.00 0.00 H new ATOM 1250 N PRO A 80 2.883 27.890 33.264 1.00 0.00 N ATOM 1251 CA PRO A 80 3.856 28.834 32.702 1.00 0.00 C ATOM 1252 C PRO A 80 5.303 28.305 32.745 1.00 0.00 C ATOM 1253 O PRO A 80 6.182 28.865 32.084 1.00 0.00 O ATOM 1254 CB PRO A 80 3.685 30.119 33.520 1.00 0.00 C ATOM 1255 CG PRO A 80 3.226 29.609 34.884 1.00 0.00 C ATOM 1256 CD PRO A 80 2.366 28.397 34.526 1.00 0.00 C ATOM 0 HA PRO A 80 3.671 29.000 31.641 1.00 0.00 H new ATOM 0 HB2 PRO A 80 4.619 30.677 33.593 1.00 0.00 H new ATOM 0 HB3 PRO A 80 2.949 30.786 33.072 1.00 0.00 H new ATOM 0 HG2 PRO A 80 4.070 29.333 35.516 1.00 0.00 H new ATOM 0 HG3 PRO A 80 2.655 30.363 35.426 1.00 0.00 H new ATOM 0 HD2 PRO A 80 2.423 27.636 35.304 1.00 0.00 H new ATOM 0 HD3 PRO A 80 1.317 28.678 34.432 1.00 0.00 H new ATOM 1264 N ASN A 81 5.561 27.230 33.500 1.00 0.00 N ATOM 1265 CA ASN A 81 6.867 26.561 33.596 1.00 0.00 C ATOM 1266 C ASN A 81 7.029 25.395 32.600 1.00 0.00 C ATOM 1267 O ASN A 81 8.161 24.981 32.330 1.00 0.00 O ATOM 1268 CB ASN A 81 7.113 26.062 35.034 1.00 0.00 C ATOM 1269 CG ASN A 81 6.867 27.108 36.109 1.00 0.00 C ATOM 1270 OD1 ASN A 81 7.749 27.862 36.497 1.00 0.00 O ATOM 1271 ND2 ASN A 81 5.660 27.178 36.623 1.00 0.00 N ATOM 0 H ASN A 81 4.847 26.788 34.078 1.00 0.00 H new ATOM 0 HA ASN A 81 7.614 27.309 33.331 1.00 0.00 H new ATOM 0 HB2 ASN A 81 6.468 25.204 35.224 1.00 0.00 H new ATOM 0 HB3 ASN A 81 8.142 25.711 35.113 1.00 0.00 H new ATOM 0 HD21 ASN A 81 5.454 27.864 37.350 1.00 0.00 H new ATOM 0 HD22 ASN A 81 4.929 26.547 36.295 1.00 0.00 H new ATOM 1278 N GLU A 82 5.933 24.842 32.060 1.00 0.00 N ATOM 1279 CA GLU A 82 5.984 23.756 31.069 1.00 0.00 C ATOM 1280 C GLU A 82 6.264 24.261 29.634 1.00 0.00 C ATOM 1281 O GLU A 82 5.952 25.400 29.272 1.00 0.00 O ATOM 1282 CB GLU A 82 4.721 22.886 31.164 1.00 0.00 C ATOM 1283 CG GLU A 82 4.802 21.588 30.348 1.00 0.00 C ATOM 1284 CD GLU A 82 5.969 20.684 30.784 1.00 0.00 C ATOM 1285 OE1 GLU A 82 5.796 19.856 31.710 1.00 0.00 O ATOM 1286 OE2 GLU A 82 7.068 20.817 30.193 1.00 0.00 O ATOM 0 H GLU A 82 4.985 25.135 32.298 1.00 0.00 H new ATOM 0 HA GLU A 82 6.839 23.125 31.312 1.00 0.00 H new ATOM 0 HB2 GLU A 82 4.540 22.637 32.210 1.00 0.00 H new ATOM 0 HB3 GLU A 82 3.864 23.467 30.822 1.00 0.00 H new ATOM 0 HG2 GLU A 82 3.865 21.040 30.451 1.00 0.00 H new ATOM 0 HG3 GLU A 82 4.913 21.834 29.292 1.00 0.00 H new ATOM 1293 N LYS A 83 6.890 23.400 28.819 1.00 0.00 N ATOM 1294 CA LYS A 83 7.448 23.714 27.494 1.00 0.00 C ATOM 1295 C LYS A 83 6.449 23.402 26.374 1.00 0.00 C ATOM 1296 O LYS A 83 5.667 22.453 26.472 1.00 0.00 O ATOM 1297 CB LYS A 83 8.772 22.941 27.292 1.00 0.00 C ATOM 1298 CG LYS A 83 9.965 23.411 28.150 1.00 0.00 C ATOM 1299 CD LYS A 83 9.733 23.333 29.669 1.00 0.00 C ATOM 1300 CE LYS A 83 11.020 23.579 30.463 1.00 0.00 C ATOM 1301 NZ LYS A 83 10.746 23.587 31.927 1.00 0.00 N ATOM 0 H LYS A 83 7.028 22.423 29.076 1.00 0.00 H new ATOM 0 HA LYS A 83 7.652 24.784 27.448 1.00 0.00 H new ATOM 0 HB2 LYS A 83 8.591 21.887 27.503 1.00 0.00 H new ATOM 0 HB3 LYS A 83 9.055 23.012 26.242 1.00 0.00 H new ATOM 0 HG2 LYS A 83 10.837 22.808 27.898 1.00 0.00 H new ATOM 0 HG3 LYS A 83 10.203 24.441 27.885 1.00 0.00 H new ATOM 0 HD2 LYS A 83 8.983 24.069 29.959 1.00 0.00 H new ATOM 0 HD3 LYS A 83 9.332 22.352 29.924 1.00 0.00 H new ATOM 0 HE2 LYS A 83 11.750 22.804 30.230 1.00 0.00 H new ATOM 0 HE3 LYS A 83 11.460 24.531 30.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 11.519 24.076 32.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 9.850 24.082 32.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 10.677 22.609 32.273 1.00 0.00 H new ATOM 1315 N SER A 84 6.506 24.169 25.282 1.00 0.00 N ATOM 1316 CA SER A 84 5.690 23.923 24.084 1.00 0.00 C ATOM 1317 C SER A 84 6.256 22.758 23.256 1.00 0.00 C ATOM 1318 O SER A 84 7.443 22.758 22.912 1.00 0.00 O ATOM 1319 CB SER A 84 5.581 25.196 23.244 1.00 0.00 C ATOM 1320 OG SER A 84 4.680 24.968 22.185 1.00 0.00 O ATOM 0 H SER A 84 7.119 24.980 25.201 1.00 0.00 H new ATOM 0 HA SER A 84 4.688 23.638 24.405 1.00 0.00 H new ATOM 0 HB2 SER A 84 5.236 26.026 23.860 1.00 0.00 H new ATOM 0 HB3 SER A 84 6.560 25.475 22.853 1.00 0.00 H new ATOM 0 HG SER A 84 4.504 25.811 21.718 1.00 0.00 H new ATOM 1326 N LYS A 85 5.418 21.752 22.961 1.00 0.00 N ATOM 1327 CA LYS A 85 5.814 20.485 22.305 1.00 0.00 C ATOM 1328 C LYS A 85 5.293 20.306 20.875 1.00 0.00 C ATOM 1329 O LYS A 85 5.926 19.604 20.083 1.00 0.00 O ATOM 1330 CB LYS A 85 5.371 19.296 23.187 1.00 0.00 C ATOM 1331 CG LYS A 85 6.537 18.633 23.932 1.00 0.00 C ATOM 1332 CD LYS A 85 7.175 19.534 25.005 1.00 0.00 C ATOM 1333 CE LYS A 85 8.366 18.862 25.709 1.00 0.00 C ATOM 1334 NZ LYS A 85 7.953 17.737 26.596 1.00 0.00 N ATOM 0 H LYS A 85 4.422 21.793 23.175 1.00 0.00 H new ATOM 0 HA LYS A 85 6.899 20.522 22.207 1.00 0.00 H new ATOM 0 HB2 LYS A 85 4.635 19.643 23.912 1.00 0.00 H new ATOM 0 HB3 LYS A 85 4.877 18.552 22.562 1.00 0.00 H new ATOM 0 HG2 LYS A 85 6.182 17.717 24.403 1.00 0.00 H new ATOM 0 HG3 LYS A 85 7.301 18.345 23.210 1.00 0.00 H new ATOM 0 HD2 LYS A 85 7.508 20.463 24.543 1.00 0.00 H new ATOM 0 HD3 LYS A 85 6.421 19.799 25.747 1.00 0.00 H new ATOM 0 HE2 LYS A 85 9.063 18.490 24.958 1.00 0.00 H new ATOM 0 HE3 LYS A 85 8.901 19.606 26.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 8.794 17.321 27.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 7.309 18.093 27.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 7.467 17.011 26.032 1.00 0.00 H new ATOM 1348 N HIS A 86 4.144 20.897 20.543 1.00 0.00 N ATOM 1349 CA HIS A 86 3.459 20.677 19.261 1.00 0.00 C ATOM 1350 C HIS A 86 3.985 21.589 18.136 1.00 0.00 C ATOM 1351 O HIS A 86 4.676 22.582 18.388 1.00 0.00 O ATOM 1352 CB HIS A 86 1.943 20.838 19.454 1.00 0.00 C ATOM 1353 CG HIS A 86 1.342 19.978 20.540 1.00 0.00 C ATOM 1354 ND1 HIS A 86 0.484 20.447 21.537 1.00 0.00 N ATOM 1355 CD2 HIS A 86 1.516 18.635 20.698 1.00 0.00 C ATOM 1356 CE1 HIS A 86 0.164 19.375 22.281 1.00 0.00 C ATOM 1357 NE2 HIS A 86 0.768 18.274 21.799 1.00 0.00 N ATOM 0 H HIS A 86 3.656 21.548 21.159 1.00 0.00 H new ATOM 0 HA HIS A 86 3.675 19.658 18.939 1.00 0.00 H new ATOM 0 HB2 HIS A 86 1.730 21.883 19.679 1.00 0.00 H new ATOM 0 HB3 HIS A 86 1.446 20.607 18.512 1.00 0.00 H new ATOM 0 HD2 HIS A 86 2.119 17.984 20.083 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -0.486 19.395 23.143 1.00 0.00 H new ATOM 0 HE2 HIS A 86 0.687 17.332 22.183 1.00 0.00 H new ATOM 1365 N LYS A 87 3.654 21.252 16.881 1.00 0.00 N ATOM 1366 CA LYS A 87 4.051 22.017 15.685 1.00 0.00 C ATOM 1367 C LYS A 87 2.961 22.004 14.601 1.00 0.00 C ATOM 1368 O LYS A 87 2.153 21.079 14.520 1.00 0.00 O ATOM 1369 CB LYS A 87 5.417 21.488 15.187 1.00 0.00 C ATOM 1370 CG LYS A 87 6.225 22.545 14.409 1.00 0.00 C ATOM 1371 CD LYS A 87 7.651 22.114 14.020 1.00 0.00 C ATOM 1372 CE LYS A 87 8.571 21.887 15.236 1.00 0.00 C ATOM 1373 NZ LYS A 87 9.991 21.676 14.827 1.00 0.00 N ATOM 0 H LYS A 87 3.094 20.428 16.663 1.00 0.00 H new ATOM 0 HA LYS A 87 4.166 23.069 15.946 1.00 0.00 H new ATOM 0 HB2 LYS A 87 6.002 21.148 16.041 1.00 0.00 H new ATOM 0 HB3 LYS A 87 5.253 20.621 14.547 1.00 0.00 H new ATOM 0 HG2 LYS A 87 5.679 22.803 13.502 1.00 0.00 H new ATOM 0 HG3 LYS A 87 6.287 23.451 15.012 1.00 0.00 H new ATOM 0 HD2 LYS A 87 7.599 21.195 13.436 1.00 0.00 H new ATOM 0 HD3 LYS A 87 8.091 22.876 13.377 1.00 0.00 H new ATOM 0 HE2 LYS A 87 8.509 22.746 15.904 1.00 0.00 H new ATOM 0 HE3 LYS A 87 8.222 21.021 15.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 10.577 21.527 15.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 10.054 20.841 14.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 10.332 22.513 14.312 1.00 0.00 H new ATOM 1387 N PHE A 88 2.985 23.019 13.743 1.00 0.00 N ATOM 1388 CA PHE A 88 2.160 23.178 12.546 1.00 0.00 C ATOM 1389 C PHE A 88 3.017 23.211 11.281 1.00 0.00 C ATOM 1390 O PHE A 88 4.160 23.668 11.288 1.00 0.00 O ATOM 1391 CB PHE A 88 1.335 24.470 12.644 1.00 0.00 C ATOM 1392 CG PHE A 88 0.028 24.288 13.375 1.00 0.00 C ATOM 1393 CD1 PHE A 88 -1.083 23.770 12.681 1.00 0.00 C ATOM 1394 CD2 PHE A 88 -0.082 24.630 14.735 1.00 0.00 C ATOM 1395 CE1 PHE A 88 -2.307 23.596 13.345 1.00 0.00 C ATOM 1396 CE2 PHE A 88 -1.308 24.457 15.398 1.00 0.00 C ATOM 1397 CZ PHE A 88 -2.413 23.938 14.702 1.00 0.00 C ATOM 0 H PHE A 88 3.622 23.805 13.872 1.00 0.00 H new ATOM 0 HA PHE A 88 1.491 22.320 12.484 1.00 0.00 H new ATOM 0 HB2 PHE A 88 1.925 25.232 13.153 1.00 0.00 H new ATOM 0 HB3 PHE A 88 1.133 24.841 11.639 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -0.993 23.507 11.637 1.00 0.00 H new ATOM 0 HD2 PHE A 88 0.772 25.024 15.267 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -3.162 23.202 12.815 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -1.401 24.722 16.441 1.00 0.00 H new ATOM 0 HZ PHE A 88 -3.353 23.801 15.216 1.00 0.00 H new ATOM 1407 N MET A 89 2.427 22.760 10.179 1.00 0.00 N ATOM 1408 CA MET A 89 3.010 22.789 8.842 1.00 0.00 C ATOM 1409 C MET A 89 1.922 23.191 7.840 1.00 0.00 C ATOM 1410 O MET A 89 0.815 22.657 7.876 1.00 0.00 O ATOM 1411 CB MET A 89 3.627 21.408 8.560 1.00 0.00 C ATOM 1412 CG MET A 89 4.086 21.179 7.116 1.00 0.00 C ATOM 1413 SD MET A 89 4.563 19.454 6.816 1.00 0.00 S ATOM 1414 CE MET A 89 5.024 19.542 5.066 1.00 0.00 C ATOM 0 H MET A 89 1.494 22.348 10.193 1.00 0.00 H new ATOM 0 HA MET A 89 3.808 23.527 8.753 1.00 0.00 H new ATOM 0 HB2 MET A 89 4.481 21.268 9.222 1.00 0.00 H new ATOM 0 HB3 MET A 89 2.895 20.642 8.817 1.00 0.00 H new ATOM 0 HG2 MET A 89 3.283 21.457 6.433 1.00 0.00 H new ATOM 0 HG3 MET A 89 4.931 21.832 6.897 1.00 0.00 H new ATOM 0 HE1 MET A 89 4.896 18.562 4.606 1.00 0.00 H new ATOM 0 HE2 MET A 89 4.388 20.267 4.558 1.00 0.00 H new ATOM 0 HE3 MET A 89 6.066 19.850 4.979 1.00 0.00 H new ATOM 1424 N VAL A 90 2.229 24.114 6.931 1.00 0.00 N ATOM 1425 CA VAL A 90 1.350 24.486 5.807 1.00 0.00 C ATOM 1426 C VAL A 90 2.031 24.037 4.521 1.00 0.00 C ATOM 1427 O VAL A 90 3.185 24.385 4.301 1.00 0.00 O ATOM 1428 CB VAL A 90 1.046 25.999 5.805 1.00 0.00 C ATOM 1429 CG1 VAL A 90 0.139 26.396 4.631 1.00 0.00 C ATOM 1430 CG2 VAL A 90 0.340 26.424 7.101 1.00 0.00 C ATOM 0 H VAL A 90 3.105 24.636 6.948 1.00 0.00 H new ATOM 0 HA VAL A 90 0.383 23.991 5.902 1.00 0.00 H new ATOM 0 HB VAL A 90 2.009 26.501 5.714 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -0.052 27.469 4.665 1.00 0.00 H new ATOM 0 HG12 VAL A 90 0.630 26.144 3.691 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -0.806 25.857 4.703 1.00 0.00 H new ATOM 0 HG21 VAL A 90 0.138 27.495 7.071 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -0.600 25.880 7.198 1.00 0.00 H new ATOM 0 HG23 VAL A 90 0.980 26.199 7.954 1.00 0.00 H new ATOM 1440 N GLN A 91 1.338 23.278 3.674 1.00 0.00 N ATOM 1441 CA GLN A 91 1.860 22.704 2.432 1.00 0.00 C ATOM 1442 C GLN A 91 1.112 23.294 1.230 1.00 0.00 C ATOM 1443 O GLN A 91 -0.108 23.428 1.277 1.00 0.00 O ATOM 1444 CB GLN A 91 1.697 21.180 2.526 1.00 0.00 C ATOM 1445 CG GLN A 91 2.430 20.407 1.422 1.00 0.00 C ATOM 1446 CD GLN A 91 2.029 18.937 1.452 1.00 0.00 C ATOM 1447 OE1 GLN A 91 2.500 18.146 2.260 1.00 0.00 O ATOM 1448 NE2 GLN A 91 1.093 18.534 0.619 1.00 0.00 N ATOM 0 H GLN A 91 0.361 23.036 3.839 1.00 0.00 H new ATOM 0 HA GLN A 91 2.914 22.943 2.293 1.00 0.00 H new ATOM 0 HB2 GLN A 91 2.064 20.844 3.496 1.00 0.00 H new ATOM 0 HB3 GLN A 91 0.636 20.935 2.484 1.00 0.00 H new ATOM 0 HG2 GLN A 91 2.192 20.836 0.449 1.00 0.00 H new ATOM 0 HG3 GLN A 91 3.508 20.500 1.557 1.00 0.00 H new ATOM 0 HE21 GLN A 91 0.696 19.187 -0.057 1.00 0.00 H new ATOM 0 HE22 GLN A 91 0.765 17.569 0.649 1.00 0.00 H new ATOM 1457 N THR A 92 1.808 23.633 0.147 1.00 0.00 N ATOM 1458 CA THR A 92 1.223 24.257 -1.056 1.00 0.00 C ATOM 1459 C THR A 92 1.825 23.751 -2.365 1.00 0.00 C ATOM 1460 O THR A 92 2.976 23.312 -2.415 1.00 0.00 O ATOM 1461 CB THR A 92 1.318 25.786 -1.025 1.00 0.00 C ATOM 1462 OG1 THR A 92 2.587 26.224 -0.612 1.00 0.00 O ATOM 1463 CG2 THR A 92 0.270 26.387 -0.096 1.00 0.00 C ATOM 0 H THR A 92 2.814 23.482 0.071 1.00 0.00 H new ATOM 0 HA THR A 92 0.175 23.957 -1.029 1.00 0.00 H new ATOM 0 HB THR A 92 1.140 26.123 -2.046 1.00 0.00 H new ATOM 0 HG1 THR A 92 2.518 26.640 0.273 1.00 0.00 H new ATOM 0 HG21 THR A 92 0.364 27.473 -0.096 1.00 0.00 H new ATOM 0 HG22 THR A 92 -0.725 26.109 -0.442 1.00 0.00 H new ATOM 0 HG23 THR A 92 0.421 26.010 0.915 1.00 0.00 H new ATOM 1471 N ILE A 93 1.031 23.818 -3.439 1.00 0.00 N ATOM 1472 CA ILE A 93 1.487 23.546 -4.814 1.00 0.00 C ATOM 1473 C ILE A 93 0.690 24.355 -5.852 1.00 0.00 C ATOM 1474 O ILE A 93 -0.510 24.580 -5.681 1.00 0.00 O ATOM 1475 CB ILE A 93 1.466 22.019 -5.066 1.00 0.00 C ATOM 1476 CG1 ILE A 93 2.488 21.574 -6.137 1.00 0.00 C ATOM 1477 CG2 ILE A 93 0.045 21.464 -5.278 1.00 0.00 C ATOM 1478 CD1 ILE A 93 1.978 21.460 -7.570 1.00 0.00 C ATOM 0 H ILE A 93 0.043 24.065 -3.382 1.00 0.00 H new ATOM 0 HA ILE A 93 2.517 23.884 -4.931 1.00 0.00 H new ATOM 0 HB ILE A 93 1.809 21.551 -4.143 1.00 0.00 H new ATOM 0 HG12 ILE A 93 3.319 22.279 -6.127 1.00 0.00 H new ATOM 0 HG13 ILE A 93 2.889 20.605 -5.841 1.00 0.00 H new ATOM 0 HG21 ILE A 93 0.096 20.389 -5.450 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -0.559 21.662 -4.392 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -0.410 21.948 -6.142 1.00 0.00 H new ATOM 0 HD11 ILE A 93 2.791 21.140 -8.221 1.00 0.00 H new ATOM 0 HD12 ILE A 93 1.171 20.729 -7.612 1.00 0.00 H new ATOM 0 HD13 ILE A 93 1.607 22.430 -7.902 1.00 0.00 H new ATOM 1490 N PHE A 94 1.348 24.834 -6.914 1.00 0.00 N ATOM 1491 CA PHE A 94 0.703 25.644 -7.958 1.00 0.00 C ATOM 1492 C PHE A 94 -0.410 24.874 -8.682 1.00 0.00 C ATOM 1493 O PHE A 94 -0.209 23.753 -9.149 1.00 0.00 O ATOM 1494 CB PHE A 94 1.732 26.153 -8.978 1.00 0.00 C ATOM 1495 CG PHE A 94 2.538 27.355 -8.528 1.00 0.00 C ATOM 1496 CD1 PHE A 94 1.882 28.577 -8.276 1.00 0.00 C ATOM 1497 CD2 PHE A 94 3.939 27.280 -8.426 1.00 0.00 C ATOM 1498 CE1 PHE A 94 2.623 29.720 -7.929 1.00 0.00 C ATOM 1499 CE2 PHE A 94 4.682 28.428 -8.095 1.00 0.00 C ATOM 1500 CZ PHE A 94 4.026 29.647 -7.858 1.00 0.00 C ATOM 0 H PHE A 94 2.342 24.672 -7.075 1.00 0.00 H new ATOM 0 HA PHE A 94 0.249 26.497 -7.454 1.00 0.00 H new ATOM 0 HB2 PHE A 94 2.420 25.341 -9.214 1.00 0.00 H new ATOM 0 HB3 PHE A 94 1.211 26.408 -9.901 1.00 0.00 H new ATOM 0 HD1 PHE A 94 0.806 28.635 -8.350 1.00 0.00 H new ATOM 0 HD2 PHE A 94 4.444 26.342 -8.602 1.00 0.00 H new ATOM 0 HE1 PHE A 94 2.117 30.651 -7.718 1.00 0.00 H new ATOM 0 HE2 PHE A 94 5.758 28.372 -8.023 1.00 0.00 H new ATOM 0 HZ PHE A 94 4.600 30.530 -7.621 1.00 0.00 H new ATOM 1510 N ALA A 95 -1.577 25.506 -8.803 1.00 0.00 N ATOM 1511 CA ALA A 95 -2.776 24.932 -9.414 1.00 0.00 C ATOM 1512 C ALA A 95 -3.032 25.497 -10.829 1.00 0.00 C ATOM 1513 O ALA A 95 -2.774 26.681 -11.071 1.00 0.00 O ATOM 1514 CB ALA A 95 -3.959 25.170 -8.469 1.00 0.00 C ATOM 0 H ALA A 95 -1.719 26.459 -8.469 1.00 0.00 H new ATOM 0 HA ALA A 95 -2.637 23.860 -9.553 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -4.864 24.749 -8.906 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -3.762 24.690 -7.511 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -4.094 26.241 -8.317 1.00 0.00 H new ATOM 1520 N PRO A 96 -3.563 24.686 -11.764 1.00 0.00 N ATOM 1521 CA PRO A 96 -3.895 25.145 -13.113 1.00 0.00 C ATOM 1522 C PRO A 96 -5.174 26.013 -13.120 1.00 0.00 C ATOM 1523 O PRO A 96 -6.027 25.864 -12.241 1.00 0.00 O ATOM 1524 CB PRO A 96 -4.046 23.860 -13.934 1.00 0.00 C ATOM 1525 CG PRO A 96 -4.584 22.857 -12.913 1.00 0.00 C ATOM 1526 CD PRO A 96 -3.912 23.276 -11.604 1.00 0.00 C ATOM 0 HA PRO A 96 -3.127 25.794 -13.533 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -4.734 23.994 -14.769 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -3.094 23.536 -14.354 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -5.670 22.905 -12.839 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -4.328 21.833 -13.185 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -4.584 23.134 -10.758 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -3.024 22.674 -11.411 1.00 0.00 H new ATOM 1599 N MET A 102 -9.397 20.177 -6.486 1.00 0.00 N ATOM 1600 CA MET A 102 -8.217 20.499 -5.671 1.00 0.00 C ATOM 1601 C MET A 102 -7.386 19.270 -5.288 1.00 0.00 C ATOM 1602 O MET A 102 -6.242 19.413 -4.873 1.00 0.00 O ATOM 1603 CB MET A 102 -8.617 21.275 -4.407 1.00 0.00 C ATOM 1604 CG MET A 102 -9.486 20.490 -3.412 1.00 0.00 C ATOM 1605 SD MET A 102 -11.195 20.097 -3.906 1.00 0.00 S ATOM 1606 CE MET A 102 -11.915 21.760 -4.003 1.00 0.00 C ATOM 0 HA MET A 102 -7.585 21.125 -6.300 1.00 0.00 H new ATOM 0 HB2 MET A 102 -7.711 21.601 -3.897 1.00 0.00 H new ATOM 0 HB3 MET A 102 -9.155 22.174 -4.706 1.00 0.00 H new ATOM 0 HG2 MET A 102 -8.977 19.552 -3.190 1.00 0.00 H new ATOM 0 HG3 MET A 102 -9.528 21.058 -2.483 1.00 0.00 H new ATOM 0 HE1 MET A 102 -12.994 21.682 -4.137 1.00 0.00 H new ATOM 0 HE2 MET A 102 -11.702 22.303 -3.082 1.00 0.00 H new ATOM 0 HE3 MET A 102 -11.482 22.295 -4.848 1.00 0.00 H new ATOM 1616 N GLU A 103 -7.944 18.062 -5.402 1.00 0.00 N ATOM 1617 CA GLU A 103 -7.261 16.812 -5.034 1.00 0.00 C ATOM 1618 C GLU A 103 -6.283 16.377 -6.134 1.00 0.00 C ATOM 1619 O GLU A 103 -5.191 15.887 -5.853 1.00 0.00 O ATOM 1620 CB GLU A 103 -8.318 15.732 -4.746 1.00 0.00 C ATOM 1621 CG GLU A 103 -7.708 14.432 -4.206 1.00 0.00 C ATOM 1622 CD GLU A 103 -8.805 13.415 -3.844 1.00 0.00 C ATOM 1623 OE1 GLU A 103 -9.211 12.615 -4.724 1.00 0.00 O ATOM 1624 OE2 GLU A 103 -9.265 13.400 -2.677 1.00 0.00 O ATOM 0 H GLU A 103 -8.890 17.919 -5.755 1.00 0.00 H new ATOM 0 HA GLU A 103 -6.667 16.969 -4.134 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -9.037 16.118 -4.024 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -8.869 15.517 -5.661 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -7.041 14.002 -4.953 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -7.103 14.649 -3.325 1.00 0.00 H new ATOM 1631 N ALA A 104 -6.650 16.613 -7.396 1.00 0.00 N ATOM 1632 CA ALA A 104 -5.926 16.122 -8.564 1.00 0.00 C ATOM 1633 C ALA A 104 -4.545 16.774 -8.726 1.00 0.00 C ATOM 1634 O ALA A 104 -3.606 16.108 -9.168 1.00 0.00 O ATOM 1635 CB ALA A 104 -6.797 16.379 -9.792 1.00 0.00 C ATOM 0 H ALA A 104 -7.476 17.162 -7.636 1.00 0.00 H new ATOM 0 HA ALA A 104 -5.734 15.056 -8.439 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -6.282 16.022 -10.684 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -7.744 15.850 -9.683 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -6.987 17.448 -9.886 1.00 0.00 H new ATOM 1641 N VAL A 105 -4.391 18.040 -8.309 1.00 0.00 N ATOM 1642 CA VAL A 105 -3.095 18.729 -8.417 1.00 0.00 C ATOM 1643 C VAL A 105 -2.021 18.058 -7.549 1.00 0.00 C ATOM 1644 O VAL A 105 -0.869 17.953 -7.952 1.00 0.00 O ATOM 1645 CB VAL A 105 -3.206 20.238 -8.160 1.00 0.00 C ATOM 1646 CG1 VAL A 105 -3.433 20.614 -6.699 1.00 0.00 C ATOM 1647 CG2 VAL A 105 -1.937 20.942 -8.633 1.00 0.00 C ATOM 0 H VAL A 105 -5.137 18.602 -7.899 1.00 0.00 H new ATOM 0 HA VAL A 105 -2.770 18.629 -9.452 1.00 0.00 H new ATOM 0 HB VAL A 105 -4.085 20.559 -8.719 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -3.499 21.698 -6.608 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -4.361 20.163 -6.347 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -2.601 20.250 -6.096 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -2.024 22.012 -8.447 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -1.078 20.548 -8.090 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -1.801 20.769 -9.701 1.00 0.00 H new ATOM 1657 N TRP A 106 -2.398 17.503 -6.393 1.00 0.00 N ATOM 1658 CA TRP A 106 -1.488 16.751 -5.523 1.00 0.00 C ATOM 1659 C TRP A 106 -1.099 15.386 -6.102 1.00 0.00 C ATOM 1660 O TRP A 106 -0.002 14.892 -5.834 1.00 0.00 O ATOM 1661 CB TRP A 106 -2.167 16.564 -4.172 1.00 0.00 C ATOM 1662 CG TRP A 106 -2.549 17.846 -3.500 1.00 0.00 C ATOM 1663 CD1 TRP A 106 -3.798 18.345 -3.395 1.00 0.00 C ATOM 1664 CD2 TRP A 106 -1.676 18.855 -2.915 1.00 0.00 C ATOM 1665 NE1 TRP A 106 -3.766 19.562 -2.744 1.00 0.00 N ATOM 1666 CE2 TRP A 106 -2.482 19.911 -2.397 1.00 0.00 C ATOM 1667 CE3 TRP A 106 -0.279 18.997 -2.809 1.00 0.00 C ATOM 1668 CZ2 TRP A 106 -1.934 21.005 -1.718 1.00 0.00 C ATOM 1669 CZ3 TRP A 106 0.285 20.128 -2.196 1.00 0.00 C ATOM 1670 CH2 TRP A 106 -0.539 21.099 -1.601 1.00 0.00 C ATOM 0 H TRP A 106 -3.350 17.563 -6.032 1.00 0.00 H new ATOM 0 HA TRP A 106 -0.564 17.320 -5.427 1.00 0.00 H new ATOM 0 HB2 TRP A 106 -3.062 15.956 -4.308 1.00 0.00 H new ATOM 0 HB3 TRP A 106 -1.499 16.006 -3.515 1.00 0.00 H new ATOM 0 HD1 TRP A 106 -4.691 17.864 -3.765 1.00 0.00 H new ATOM 0 HE1 TRP A 106 -4.590 20.130 -2.546 1.00 0.00 H new ATOM 0 HE3 TRP A 106 0.367 18.227 -3.204 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 -2.574 21.764 -1.292 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 1.358 20.252 -2.182 1.00 0.00 H new ATOM 0 HH2 TRP A 106 -0.098 21.918 -1.053 1.00 0.00 H new ATOM 1681 N LYS A 107 -1.985 14.783 -6.907 1.00 0.00 N ATOM 1682 CA LYS A 107 -1.757 13.484 -7.559 1.00 0.00 C ATOM 1683 C LYS A 107 -0.871 13.599 -8.805 1.00 0.00 C ATOM 1684 O LYS A 107 -0.129 12.667 -9.115 1.00 0.00 O ATOM 1685 CB LYS A 107 -3.110 12.822 -7.879 1.00 0.00 C ATOM 1686 CG LYS A 107 -4.022 12.602 -6.657 1.00 0.00 C ATOM 1687 CD LYS A 107 -3.421 11.682 -5.582 1.00 0.00 C ATOM 1688 CE LYS A 107 -4.366 11.609 -4.377 1.00 0.00 C ATOM 1689 NZ LYS A 107 -3.874 10.648 -3.351 1.00 0.00 N ATOM 0 H LYS A 107 -2.894 15.189 -7.127 1.00 0.00 H new ATOM 0 HA LYS A 107 -1.208 12.848 -6.864 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -3.639 13.440 -8.604 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -2.925 11.859 -8.356 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -4.248 13.569 -6.207 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -4.968 12.179 -6.995 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -3.261 10.685 -5.991 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -2.447 12.059 -5.270 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -4.465 12.599 -3.931 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -5.359 11.309 -4.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -4.538 10.625 -2.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -3.803 9.699 -3.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -2.937 10.949 -3.015 1.00 0.00 H new ATOM 1703 N GLU A 108 -0.903 14.746 -9.488 1.00 0.00 N ATOM 1704 CA GLU A 108 -0.023 15.045 -10.629 1.00 0.00 C ATOM 1705 C GLU A 108 1.334 15.660 -10.236 1.00 0.00 C ATOM 1706 O GLU A 108 2.315 15.554 -10.978 1.00 0.00 O ATOM 1707 CB GLU A 108 -0.763 15.946 -11.624 1.00 0.00 C ATOM 1708 CG GLU A 108 -0.909 17.411 -11.230 1.00 0.00 C ATOM 1709 CD GLU A 108 -1.678 18.201 -12.305 1.00 0.00 C ATOM 1710 OE1 GLU A 108 -1.052 18.624 -13.310 1.00 0.00 O ATOM 1711 OE2 GLU A 108 -2.907 18.413 -12.159 1.00 0.00 O ATOM 0 H GLU A 108 -1.547 15.505 -9.264 1.00 0.00 H new ATOM 0 HA GLU A 108 0.221 14.090 -11.094 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -0.242 15.899 -12.580 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -1.759 15.534 -11.783 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -1.433 17.484 -10.277 1.00 0.00 H new ATOM 0 HG3 GLU A 108 0.077 17.852 -11.086 1.00 0.00 H new ATOM 1718 N ALA A 109 1.384 16.302 -9.068 1.00 0.00 N ATOM 1719 CA ALA A 109 2.558 16.968 -8.515 1.00 0.00 C ATOM 1720 C ALA A 109 3.685 15.977 -8.219 1.00 0.00 C ATOM 1721 O ALA A 109 3.456 14.847 -7.767 1.00 0.00 O ATOM 1722 CB ALA A 109 2.191 17.738 -7.241 1.00 0.00 C ATOM 0 H ALA A 109 0.570 16.374 -8.457 1.00 0.00 H new ATOM 0 HA ALA A 109 2.917 17.670 -9.268 1.00 0.00 H new ATOM 0 HB1 ALA A 109 3.080 18.228 -6.843 1.00 0.00 H new ATOM 0 HB2 ALA A 109 1.436 18.489 -7.474 1.00 0.00 H new ATOM 0 HB3 ALA A 109 1.796 17.045 -6.498 1.00 0.00 H new ATOM 1728 N LYS A 110 4.917 16.445 -8.430 1.00 0.00 N ATOM 1729 CA LYS A 110 6.138 15.706 -8.119 1.00 0.00 C ATOM 1730 C LYS A 110 6.751 16.166 -6.794 1.00 0.00 C ATOM 1731 O LYS A 110 6.556 17.317 -6.407 1.00 0.00 O ATOM 1732 CB LYS A 110 7.106 15.828 -9.313 1.00 0.00 C ATOM 1733 CG LYS A 110 6.641 14.962 -10.493 1.00 0.00 C ATOM 1734 CD LYS A 110 7.628 15.050 -11.667 1.00 0.00 C ATOM 1735 CE LYS A 110 7.262 14.088 -12.807 1.00 0.00 C ATOM 1736 NZ LYS A 110 6.015 14.487 -13.521 1.00 0.00 N ATOM 0 H LYS A 110 5.095 17.366 -8.830 1.00 0.00 H new ATOM 0 HA LYS A 110 5.909 14.650 -7.974 1.00 0.00 H new ATOM 0 HB2 LYS A 110 7.172 16.870 -9.626 1.00 0.00 H new ATOM 0 HB3 LYS A 110 8.107 15.523 -9.006 1.00 0.00 H new ATOM 0 HG2 LYS A 110 6.545 13.925 -10.171 1.00 0.00 H new ATOM 0 HG3 LYS A 110 5.653 15.287 -10.819 1.00 0.00 H new ATOM 0 HD2 LYS A 110 7.647 16.071 -12.048 1.00 0.00 H new ATOM 0 HD3 LYS A 110 8.633 14.824 -11.312 1.00 0.00 H new ATOM 0 HE2 LYS A 110 8.086 14.046 -13.520 1.00 0.00 H new ATOM 0 HE3 LYS A 110 7.138 13.083 -12.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 5.815 13.804 -14.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 5.220 14.502 -12.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 6.138 15.434 -13.932 1.00 0.00 H new ATOM 1750 N PRO A 111 7.553 15.316 -6.129 1.00 0.00 N ATOM 1751 CA PRO A 111 8.190 15.622 -4.841 1.00 0.00 C ATOM 1752 C PRO A 111 9.120 16.848 -4.873 1.00 0.00 C ATOM 1753 O PRO A 111 9.402 17.440 -3.831 1.00 0.00 O ATOM 1754 CB PRO A 111 8.921 14.335 -4.432 1.00 0.00 C ATOM 1755 CG PRO A 111 9.098 13.568 -5.742 1.00 0.00 C ATOM 1756 CD PRO A 111 7.868 13.957 -6.538 1.00 0.00 C ATOM 0 HA PRO A 111 7.438 15.912 -4.107 1.00 0.00 H new ATOM 0 HB2 PRO A 111 9.882 14.554 -3.967 1.00 0.00 H new ATOM 0 HB3 PRO A 111 8.341 13.760 -3.710 1.00 0.00 H new ATOM 0 HG2 PRO A 111 10.017 13.853 -6.255 1.00 0.00 H new ATOM 0 HG3 PRO A 111 9.147 12.492 -5.576 1.00 0.00 H new ATOM 0 HD2 PRO A 111 8.061 13.905 -7.609 1.00 0.00 H new ATOM 0 HD3 PRO A 111 7.037 13.282 -6.331 1.00 0.00 H new ATOM 1764 N ASP A 112 9.553 17.261 -6.068 1.00 0.00 N ATOM 1765 CA ASP A 112 10.368 18.463 -6.298 1.00 0.00 C ATOM 1766 C ASP A 112 9.545 19.752 -6.543 1.00 0.00 C ATOM 1767 O ASP A 112 10.072 20.859 -6.420 1.00 0.00 O ATOM 1768 CB ASP A 112 11.335 18.174 -7.454 1.00 0.00 C ATOM 1769 CG ASP A 112 12.440 19.238 -7.581 1.00 0.00 C ATOM 1770 OD1 ASP A 112 13.229 19.411 -6.619 1.00 0.00 O ATOM 1771 OD2 ASP A 112 12.565 19.862 -8.663 1.00 0.00 O ATOM 0 H ASP A 112 9.341 16.755 -6.928 1.00 0.00 H new ATOM 0 HA ASP A 112 10.920 18.674 -5.382 1.00 0.00 H new ATOM 0 HB2 ASP A 112 11.793 17.196 -7.304 1.00 0.00 H new ATOM 0 HB3 ASP A 112 10.775 18.124 -8.388 1.00 0.00 H new ATOM 1776 N GLU A 113 8.249 19.625 -6.855 1.00 0.00 N ATOM 1777 CA GLU A 113 7.330 20.745 -7.133 1.00 0.00 C ATOM 1778 C GLU A 113 6.545 21.204 -5.889 1.00 0.00 C ATOM 1779 O GLU A 113 5.984 22.302 -5.878 1.00 0.00 O ATOM 1780 CB GLU A 113 6.333 20.334 -8.234 1.00 0.00 C ATOM 1781 CG GLU A 113 6.974 20.034 -9.598 1.00 0.00 C ATOM 1782 CD GLU A 113 7.571 21.296 -10.249 1.00 0.00 C ATOM 1783 OE1 GLU A 113 6.796 22.173 -10.705 1.00 0.00 O ATOM 1784 OE2 GLU A 113 8.818 21.417 -10.330 1.00 0.00 O ATOM 0 H GLU A 113 7.794 18.715 -6.924 1.00 0.00 H new ATOM 0 HA GLU A 113 7.945 21.584 -7.457 1.00 0.00 H new ATOM 0 HB2 GLU A 113 5.788 19.451 -7.901 1.00 0.00 H new ATOM 0 HB3 GLU A 113 5.601 21.132 -8.359 1.00 0.00 H new ATOM 0 HG2 GLU A 113 7.757 19.286 -9.473 1.00 0.00 H new ATOM 0 HG3 GLU A 113 6.225 19.603 -10.263 1.00 0.00 H new ATOM 1791 N LEU A 114 6.499 20.370 -4.843 1.00 0.00 N ATOM 1792 CA LEU A 114 5.765 20.624 -3.600 1.00 0.00 C ATOM 1793 C LEU A 114 6.519 21.648 -2.737 1.00 0.00 C ATOM 1794 O LEU A 114 7.753 21.671 -2.722 1.00 0.00 O ATOM 1795 CB LEU A 114 5.563 19.293 -2.843 1.00 0.00 C ATOM 1796 CG LEU A 114 4.707 18.253 -3.596 1.00 0.00 C ATOM 1797 CD1 LEU A 114 4.891 16.854 -3.012 1.00 0.00 C ATOM 1798 CD2 LEU A 114 3.218 18.570 -3.518 1.00 0.00 C ATOM 0 H LEU A 114 6.986 19.474 -4.839 1.00 0.00 H new ATOM 0 HA LEU A 114 4.786 21.044 -3.832 1.00 0.00 H new ATOM 0 HB2 LEU A 114 6.540 18.857 -2.633 1.00 0.00 H new ATOM 0 HB3 LEU A 114 5.094 19.504 -1.882 1.00 0.00 H new ATOM 0 HG LEU A 114 5.046 18.291 -4.631 1.00 0.00 H new ATOM 0 HD11 LEU A 114 4.275 16.145 -3.565 1.00 0.00 H new ATOM 0 HD12 LEU A 114 5.938 16.562 -3.090 1.00 0.00 H new ATOM 0 HD13 LEU A 114 4.592 16.855 -1.964 1.00 0.00 H new ATOM 0 HD21 LEU A 114 2.655 17.811 -4.062 1.00 0.00 H new ATOM 0 HD22 LEU A 114 2.902 18.578 -2.475 1.00 0.00 H new ATOM 0 HD23 LEU A 114 3.031 19.548 -3.961 1.00 0.00 H new ATOM 1810 N MET A 115 5.785 22.479 -1.994 1.00 0.00 N ATOM 1811 CA MET A 115 6.350 23.472 -1.074 1.00 0.00 C ATOM 1812 C MET A 115 5.690 23.407 0.307 1.00 0.00 C ATOM 1813 O MET A 115 4.536 23.002 0.432 1.00 0.00 O ATOM 1814 CB MET A 115 6.178 24.891 -1.630 1.00 0.00 C ATOM 1815 CG MET A 115 6.767 25.123 -3.020 1.00 0.00 C ATOM 1816 SD MET A 115 6.507 26.817 -3.616 1.00 0.00 S ATOM 1817 CE MET A 115 7.152 26.647 -5.301 1.00 0.00 C ATOM 0 H MET A 115 4.765 22.482 -2.014 1.00 0.00 H new ATOM 0 HA MET A 115 7.410 23.237 -0.973 1.00 0.00 H new ATOM 0 HB2 MET A 115 5.114 25.125 -1.661 1.00 0.00 H new ATOM 0 HB3 MET A 115 6.639 25.594 -0.936 1.00 0.00 H new ATOM 0 HG2 MET A 115 7.836 24.910 -2.998 1.00 0.00 H new ATOM 0 HG3 MET A 115 6.317 24.422 -3.723 1.00 0.00 H new ATOM 0 HE1 MET A 115 7.070 27.602 -5.820 1.00 0.00 H new ATOM 0 HE2 MET A 115 8.198 26.344 -5.261 1.00 0.00 H new ATOM 0 HE3 MET A 115 6.576 25.893 -5.837 1.00 0.00 H new ATOM 1827 N ASP A 116 6.405 23.822 1.353 1.00 0.00 N ATOM 1828 CA ASP A 116 5.859 23.951 2.711 1.00 0.00 C ATOM 1829 C ASP A 116 6.556 25.024 3.571 1.00 0.00 C ATOM 1830 O ASP A 116 7.525 25.653 3.147 1.00 0.00 O ATOM 1831 CB ASP A 116 5.880 22.586 3.417 1.00 0.00 C ATOM 1832 CG ASP A 116 7.309 22.078 3.680 1.00 0.00 C ATOM 1833 OD1 ASP A 116 7.903 22.461 4.716 1.00 0.00 O ATOM 1834 OD2 ASP A 116 7.823 21.266 2.875 1.00 0.00 O ATOM 0 H ASP A 116 7.389 24.081 1.284 1.00 0.00 H new ATOM 0 HA ASP A 116 4.831 24.295 2.597 1.00 0.00 H new ATOM 0 HB2 ASP A 116 5.345 22.662 4.364 1.00 0.00 H new ATOM 0 HB3 ASP A 116 5.346 21.857 2.807 1.00 0.00 H new ATOM 1839 N SER A 117 6.001 25.294 4.752 1.00 0.00 N ATOM 1840 CA SER A 117 6.607 26.091 5.833 1.00 0.00 C ATOM 1841 C SER A 117 6.126 25.540 7.184 1.00 0.00 C ATOM 1842 O SER A 117 5.033 24.969 7.264 1.00 0.00 O ATOM 1843 CB SER A 117 6.335 27.597 5.716 1.00 0.00 C ATOM 1844 OG SER A 117 4.948 27.853 5.670 1.00 0.00 O ATOM 0 H SER A 117 5.073 24.950 4.999 1.00 0.00 H new ATOM 0 HA SER A 117 7.689 25.993 5.750 1.00 0.00 H new ATOM 0 HB2 SER A 117 6.778 28.118 6.565 1.00 0.00 H new ATOM 0 HB3 SER A 117 6.812 27.989 4.817 1.00 0.00 H new ATOM 0 HG SER A 117 4.764 28.730 6.066 1.00 0.00 H new ATOM 1850 N LYS A 118 6.929 25.696 8.246 1.00 0.00 N ATOM 1851 CA LYS A 118 6.644 25.171 9.600 1.00 0.00 C ATOM 1852 C LYS A 118 6.619 26.263 10.675 1.00 0.00 C ATOM 1853 O LYS A 118 7.378 27.229 10.603 1.00 0.00 O ATOM 1854 CB LYS A 118 7.573 23.988 9.951 1.00 0.00 C ATOM 1855 CG LYS A 118 9.002 24.325 10.426 1.00 0.00 C ATOM 1856 CD LYS A 118 9.820 25.163 9.429 1.00 0.00 C ATOM 1857 CE LYS A 118 11.317 25.215 9.770 1.00 0.00 C ATOM 1858 NZ LYS A 118 11.609 26.050 10.970 1.00 0.00 N ATOM 0 H LYS A 118 7.814 26.200 8.193 1.00 0.00 H new ATOM 0 HA LYS A 118 5.628 24.777 9.582 1.00 0.00 H new ATOM 0 HB2 LYS A 118 7.089 23.399 10.730 1.00 0.00 H new ATOM 0 HB3 LYS A 118 7.652 23.349 9.071 1.00 0.00 H new ATOM 0 HG2 LYS A 118 8.940 24.865 11.371 1.00 0.00 H new ATOM 0 HG3 LYS A 118 9.535 23.395 10.624 1.00 0.00 H new ATOM 0 HD2 LYS A 118 9.696 24.749 8.428 1.00 0.00 H new ATOM 0 HD3 LYS A 118 9.423 26.178 9.406 1.00 0.00 H new ATOM 0 HE2 LYS A 118 11.681 24.202 9.941 1.00 0.00 H new ATOM 0 HE3 LYS A 118 11.866 25.611 8.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 12.633 26.049 11.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 11.288 27.025 10.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 11.110 25.660 11.794 1.00 0.00 H new ATOM 1872 N LEU A 119 5.735 26.102 11.661 1.00 0.00 N ATOM 1873 CA LEU A 119 5.462 27.077 12.723 1.00 0.00 C ATOM 1874 C LEU A 119 5.184 26.353 14.049 1.00 0.00 C ATOM 1875 O LEU A 119 4.560 25.295 14.046 1.00 0.00 O ATOM 1876 CB LEU A 119 4.241 27.948 12.342 1.00 0.00 C ATOM 1877 CG LEU A 119 4.415 28.860 11.106 1.00 0.00 C ATOM 1878 CD1 LEU A 119 3.910 28.202 9.816 1.00 0.00 C ATOM 1879 CD2 LEU A 119 3.604 30.148 11.254 1.00 0.00 C ATOM 0 H LEU A 119 5.168 25.259 11.747 1.00 0.00 H new ATOM 0 HA LEU A 119 6.337 27.716 12.842 1.00 0.00 H new ATOM 0 HB2 LEU A 119 3.391 27.289 12.165 1.00 0.00 H new ATOM 0 HB3 LEU A 119 3.986 28.574 13.197 1.00 0.00 H new ATOM 0 HG LEU A 119 5.486 29.055 11.045 1.00 0.00 H new ATOM 0 HD11 LEU A 119 4.055 28.884 8.979 1.00 0.00 H new ATOM 0 HD12 LEU A 119 4.466 27.282 9.635 1.00 0.00 H new ATOM 0 HD13 LEU A 119 2.849 27.971 9.916 1.00 0.00 H new ATOM 0 HD21 LEU A 119 3.745 30.770 10.370 1.00 0.00 H new ATOM 0 HD22 LEU A 119 2.547 29.902 11.360 1.00 0.00 H new ATOM 0 HD23 LEU A 119 3.941 30.690 12.137 1.00 0.00 H new ATOM 1891 N ARG A 120 5.601 26.907 15.189 1.00 0.00 N ATOM 1892 CA ARG A 120 5.320 26.341 16.526 1.00 0.00 C ATOM 1893 C ARG A 120 4.066 26.984 17.128 1.00 0.00 C ATOM 1894 O ARG A 120 3.622 28.029 16.660 1.00 0.00 O ATOM 1895 CB ARG A 120 6.528 26.551 17.459 1.00 0.00 C ATOM 1896 CG ARG A 120 7.877 26.114 16.853 1.00 0.00 C ATOM 1897 CD ARG A 120 9.058 26.647 17.673 1.00 0.00 C ATOM 1898 NE ARG A 120 9.167 28.113 17.534 1.00 0.00 N ATOM 1899 CZ ARG A 120 10.075 28.906 18.066 1.00 0.00 C ATOM 1900 NH1 ARG A 120 11.048 28.453 18.808 1.00 0.00 N ATOM 1901 NH2 ARG A 120 10.011 30.185 17.854 1.00 0.00 N ATOM 0 H ARG A 120 6.148 27.768 15.219 1.00 0.00 H new ATOM 0 HA ARG A 120 5.142 25.271 16.419 1.00 0.00 H new ATOM 0 HB2 ARG A 120 6.587 27.606 17.727 1.00 0.00 H new ATOM 0 HB3 ARG A 120 6.361 25.997 18.382 1.00 0.00 H new ATOM 0 HG2 ARG A 120 7.923 25.026 16.811 1.00 0.00 H new ATOM 0 HG3 ARG A 120 7.951 26.476 15.828 1.00 0.00 H new ATOM 0 HD2 ARG A 120 8.927 26.384 18.723 1.00 0.00 H new ATOM 0 HD3 ARG A 120 9.982 26.175 17.339 1.00 0.00 H new ATOM 0 HE ARG A 120 8.456 28.565 16.959 1.00 0.00 H new ATOM 0 HH11 ARG A 120 11.125 27.453 18.994 1.00 0.00 H new ATOM 0 HH12 ARG A 120 11.732 29.099 19.202 1.00 0.00 H new ATOM 0 HH21 ARG A 120 9.261 30.570 17.279 1.00 0.00 H new ATOM 0 HH22 ARG A 120 10.710 30.805 18.262 1.00 0.00 H new ATOM 1915 N CYS A 121 3.505 26.383 18.172 1.00 0.00 N ATOM 1916 CA CYS A 121 2.450 26.968 18.995 1.00 0.00 C ATOM 1917 C CYS A 121 3.058 27.673 20.222 1.00 0.00 C ATOM 1918 O CYS A 121 3.978 27.155 20.863 1.00 0.00 O ATOM 1919 CB CYS A 121 1.447 25.871 19.380 1.00 0.00 C ATOM 1920 SG CYS A 121 2.316 24.449 20.093 1.00 0.00 S ATOM 0 H CYS A 121 3.779 25.449 18.478 1.00 0.00 H new ATOM 0 HA CYS A 121 1.911 27.731 18.433 1.00 0.00 H new ATOM 0 HB2 CYS A 121 0.726 26.263 20.098 1.00 0.00 H new ATOM 0 HB3 CYS A 121 0.884 25.558 18.501 1.00 0.00 H new ATOM 0 HG CYS A 121 1.913 24.262 21.315 1.00 0.00 H new ATOM 1926 N VAL A 122 2.525 28.842 20.568 1.00 0.00 N ATOM 1927 CA VAL A 122 2.880 29.626 21.763 1.00 0.00 C ATOM 1928 C VAL A 122 1.665 29.714 22.675 1.00 0.00 C ATOM 1929 O VAL A 122 0.571 29.983 22.191 1.00 0.00 O ATOM 1930 CB VAL A 122 3.351 31.042 21.386 1.00 0.00 C ATOM 1931 CG1 VAL A 122 3.696 31.873 22.628 1.00 0.00 C ATOM 1932 CG2 VAL A 122 4.571 30.975 20.470 1.00 0.00 C ATOM 0 H VAL A 122 1.804 29.293 20.005 1.00 0.00 H new ATOM 0 HA VAL A 122 3.702 29.127 22.275 1.00 0.00 H new ATOM 0 HB VAL A 122 2.526 31.527 20.863 1.00 0.00 H new ATOM 0 HG11 VAL A 122 4.024 32.866 22.322 1.00 0.00 H new ATOM 0 HG12 VAL A 122 2.814 31.962 23.263 1.00 0.00 H new ATOM 0 HG13 VAL A 122 4.495 31.382 23.184 1.00 0.00 H new ATOM 0 HG21 VAL A 122 4.890 31.985 20.214 1.00 0.00 H new ATOM 0 HG22 VAL A 122 5.382 30.457 20.982 1.00 0.00 H new ATOM 0 HG23 VAL A 122 4.313 30.434 19.559 1.00 0.00 H new ATOM 1942 N PHE A 123 1.863 29.541 23.981 1.00 0.00 N ATOM 1943 CA PHE A 123 0.789 29.511 24.974 1.00 0.00 C ATOM 1944 C PHE A 123 0.933 30.652 25.991 1.00 0.00 C ATOM 1945 O PHE A 123 1.953 30.756 26.679 1.00 0.00 O ATOM 1946 CB PHE A 123 0.780 28.139 25.654 1.00 0.00 C ATOM 1947 CG PHE A 123 0.685 26.975 24.689 1.00 0.00 C ATOM 1948 CD1 PHE A 123 -0.452 26.833 23.874 1.00 0.00 C ATOM 1949 CD2 PHE A 123 1.740 26.047 24.591 1.00 0.00 C ATOM 1950 CE1 PHE A 123 -0.559 25.745 22.996 1.00 0.00 C ATOM 1951 CE2 PHE A 123 1.625 24.948 23.723 1.00 0.00 C ATOM 1952 CZ PHE A 123 0.470 24.791 22.940 1.00 0.00 C ATOM 0 H PHE A 123 2.791 29.415 24.386 1.00 0.00 H new ATOM 0 HA PHE A 123 -0.168 29.665 24.476 1.00 0.00 H new ATOM 0 HB2 PHE A 123 1.688 28.033 26.247 1.00 0.00 H new ATOM 0 HB3 PHE A 123 -0.060 28.093 26.347 1.00 0.00 H new ATOM 0 HD1 PHE A 123 -1.245 27.564 23.924 1.00 0.00 H new ATOM 0 HD2 PHE A 123 2.635 26.180 25.181 1.00 0.00 H new ATOM 0 HE1 PHE A 123 -1.429 25.641 22.365 1.00 0.00 H new ATOM 0 HE2 PHE A 123 2.424 24.225 23.658 1.00 0.00 H new ATOM 0 HZ PHE A 123 0.373 23.933 22.292 1.00 0.00 H new ATOM 1962 N GLU A 124 -0.086 31.506 26.096 1.00 0.00 N ATOM 1963 CA GLU A 124 -0.074 32.722 26.919 1.00 0.00 C ATOM 1964 C GLU A 124 -1.317 32.840 27.818 1.00 0.00 C ATOM 1965 O GLU A 124 -2.450 32.668 27.365 1.00 0.00 O ATOM 1966 CB GLU A 124 0.029 33.974 26.029 1.00 0.00 C ATOM 1967 CG GLU A 124 1.296 34.010 25.166 1.00 0.00 C ATOM 1968 CD GLU A 124 1.419 35.351 24.420 1.00 0.00 C ATOM 1969 OE1 GLU A 124 1.996 36.311 24.989 1.00 0.00 O ATOM 1970 OE2 GLU A 124 0.954 35.455 23.259 1.00 0.00 O ATOM 0 H GLU A 124 -0.966 31.370 25.599 1.00 0.00 H new ATOM 0 HA GLU A 124 0.800 32.650 27.566 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -0.845 34.021 25.379 1.00 0.00 H new ATOM 0 HB3 GLU A 124 0.004 34.862 26.661 1.00 0.00 H new ATOM 0 HG2 GLU A 124 2.173 33.858 25.795 1.00 0.00 H new ATOM 0 HG3 GLU A 124 1.274 33.191 24.447 1.00 0.00 H new ATOM 1977 N MET A 125 -1.101 33.212 29.082 1.00 0.00 N ATOM 1978 CA MET A 125 -2.162 33.586 30.027 1.00 0.00 C ATOM 1979 C MET A 125 -2.446 35.107 29.939 1.00 0.00 C ATOM 1980 O MET A 125 -1.548 35.875 29.574 1.00 0.00 O ATOM 1981 CB MET A 125 -1.833 33.036 31.430 1.00 0.00 C ATOM 1982 CG MET A 125 -0.584 33.613 32.109 1.00 0.00 C ATOM 1983 SD MET A 125 -0.831 35.211 32.929 1.00 0.00 S ATOM 1984 CE MET A 125 0.831 35.450 33.614 1.00 0.00 C ATOM 0 H MET A 125 -0.166 33.263 29.487 1.00 0.00 H new ATOM 0 HA MET A 125 -3.111 33.119 29.763 1.00 0.00 H new ATOM 0 HB2 MET A 125 -2.690 33.217 32.079 1.00 0.00 H new ATOM 0 HB3 MET A 125 -1.713 31.955 31.355 1.00 0.00 H new ATOM 0 HG2 MET A 125 -0.224 32.895 32.846 1.00 0.00 H new ATOM 0 HG3 MET A 125 0.201 33.722 31.361 1.00 0.00 H new ATOM 0 HE1 MET A 125 0.868 36.393 34.159 1.00 0.00 H new ATOM 0 HE2 MET A 125 1.066 34.630 34.292 1.00 0.00 H new ATOM 0 HE3 MET A 125 1.559 35.470 32.803 1.00 0.00 H new ATOM 2301 N GLU B 358 5.943 13.608 14.756 1.00 0.00 N ATOM 2302 CA GLU B 358 4.824 12.942 14.075 1.00 0.00 C ATOM 2303 C GLU B 358 3.687 13.892 13.629 1.00 0.00 C ATOM 2304 O GLU B 358 2.673 14.065 14.311 1.00 0.00 O ATOM 2305 CB GLU B 358 4.340 11.727 14.889 1.00 0.00 C ATOM 2306 CG GLU B 358 3.437 10.816 14.051 1.00 0.00 C ATOM 2307 CD GLU B 358 3.137 9.495 14.786 1.00 0.00 C ATOM 2308 OE1 GLU B 358 2.484 9.519 15.858 1.00 0.00 O ATOM 2309 OE2 GLU B 358 3.548 8.418 14.290 1.00 0.00 O ATOM 0 HA GLU B 358 5.211 12.567 13.128 1.00 0.00 H new ATOM 0 HB2 GLU B 358 5.200 11.160 15.246 1.00 0.00 H new ATOM 0 HB3 GLU B 358 3.797 12.070 15.769 1.00 0.00 H new ATOM 0 HG2 GLU B 358 2.503 11.331 13.829 1.00 0.00 H new ATOM 0 HG3 GLU B 358 3.918 10.602 13.096 1.00 0.00 H new ATOM 2316 N PHE B 359 3.830 14.474 12.430 1.00 0.00 N ATOM 2317 CA PHE B 359 2.760 15.233 11.772 1.00 0.00 C ATOM 2318 C PHE B 359 1.617 14.333 11.261 1.00 0.00 C ATOM 2319 O PHE B 359 1.823 13.188 10.849 1.00 0.00 O ATOM 2320 CB PHE B 359 3.321 16.069 10.610 1.00 0.00 C ATOM 2321 CG PHE B 359 4.068 17.322 11.023 1.00 0.00 C ATOM 2322 CD1 PHE B 359 3.349 18.448 11.468 1.00 0.00 C ATOM 2323 CD2 PHE B 359 5.470 17.387 10.918 1.00 0.00 C ATOM 2324 CE1 PHE B 359 4.028 19.637 11.786 1.00 0.00 C ATOM 2325 CE2 PHE B 359 6.150 18.577 11.237 1.00 0.00 C ATOM 2326 CZ PHE B 359 5.426 19.709 11.655 1.00 0.00 C ATOM 0 H PHE B 359 4.694 14.431 11.889 1.00 0.00 H new ATOM 0 HA PHE B 359 2.341 15.894 12.530 1.00 0.00 H new ATOM 0 HB2 PHE B 359 3.991 15.442 10.022 1.00 0.00 H new ATOM 0 HB3 PHE B 359 2.496 16.355 9.957 1.00 0.00 H new ATOM 0 HD1 PHE B 359 2.275 18.398 11.565 1.00 0.00 H new ATOM 0 HD2 PHE B 359 6.026 16.521 10.591 1.00 0.00 H new ATOM 0 HE1 PHE B 359 3.474 20.497 12.132 1.00 0.00 H new ATOM 0 HE2 PHE B 359 7.226 18.621 11.161 1.00 0.00 H new ATOM 0 HZ PHE B 359 5.943 20.631 11.875 1.00 0.00 H new ATOM 2336 N PHE B 360 0.414 14.906 11.237 1.00 0.00 N ATOM 2337 CA PHE B 360 -0.847 14.352 10.754 1.00 0.00 C ATOM 2338 C PHE B 360 -1.548 15.394 9.865 1.00 0.00 C ATOM 2339 O PHE B 360 -1.401 16.601 10.079 1.00 0.00 O ATOM 2340 CB PHE B 360 -1.744 14.035 11.961 1.00 0.00 C ATOM 2341 CG PHE B 360 -1.588 12.643 12.542 1.00 0.00 C ATOM 2342 CD1 PHE B 360 -0.466 12.296 13.319 1.00 0.00 C ATOM 2343 CD2 PHE B 360 -2.607 11.695 12.328 1.00 0.00 C ATOM 2344 CE1 PHE B 360 -0.377 11.007 13.874 1.00 0.00 C ATOM 2345 CE2 PHE B 360 -2.503 10.402 12.865 1.00 0.00 C ATOM 2346 CZ PHE B 360 -1.386 10.057 13.645 1.00 0.00 C ATOM 0 H PHE B 360 0.288 15.856 11.587 1.00 0.00 H new ATOM 0 HA PHE B 360 -0.660 13.445 10.180 1.00 0.00 H new ATOM 0 HB2 PHE B 360 -1.538 14.763 12.746 1.00 0.00 H new ATOM 0 HB3 PHE B 360 -2.784 14.172 11.665 1.00 0.00 H new ATOM 0 HD1 PHE B 360 0.321 13.016 13.488 1.00 0.00 H new ATOM 0 HD2 PHE B 360 -3.476 11.965 11.746 1.00 0.00 H new ATOM 0 HE1 PHE B 360 0.476 10.745 14.483 1.00 0.00 H new ATOM 0 HE2 PHE B 360 -3.279 9.674 12.679 1.00 0.00 H new ATOM 0 HZ PHE B 360 -1.304 9.066 14.066 1.00 0.00 H new ATOM 2356 N ASP B 361 -2.357 14.949 8.903 1.00 0.00 N ATOM 2357 CA ASP B 361 -3.247 15.839 8.146 1.00 0.00 C ATOM 2358 C ASP B 361 -4.316 16.399 9.100 1.00 0.00 C ATOM 2359 O ASP B 361 -5.076 15.640 9.709 1.00 0.00 O ATOM 2360 CB ASP B 361 -3.880 15.094 6.965 1.00 0.00 C ATOM 2361 CG ASP B 361 -2.835 14.717 5.904 1.00 0.00 C ATOM 2362 OD1 ASP B 361 -2.407 15.612 5.136 1.00 0.00 O ATOM 2363 OD2 ASP B 361 -2.446 13.526 5.829 1.00 0.00 O ATOM 0 H ASP B 361 -2.416 13.969 8.626 1.00 0.00 H new ATOM 0 HA ASP B 361 -2.675 16.668 7.730 1.00 0.00 H new ATOM 0 HB2 ASP B 361 -4.373 14.192 7.326 1.00 0.00 H new ATOM 0 HB3 ASP B 361 -4.650 15.718 6.512 1.00 0.00 H new ATOM 2368 N ALA B 362 -4.343 17.724 9.279 1.00 0.00 N ATOM 2369 CA ALA B 362 -5.160 18.358 10.314 1.00 0.00 C ATOM 2370 C ALA B 362 -6.679 18.194 10.054 1.00 0.00 C ATOM 2371 O ALA B 362 -7.133 18.447 8.933 1.00 0.00 O ATOM 2372 CB ALA B 362 -4.757 19.831 10.446 1.00 0.00 C ATOM 0 H ALA B 362 -3.803 18.381 8.715 1.00 0.00 H new ATOM 0 HA ALA B 362 -4.969 17.852 11.260 1.00 0.00 H new ATOM 0 HB1 ALA B 362 -5.364 20.307 11.216 1.00 0.00 H new ATOM 0 HB2 ALA B 362 -3.704 19.897 10.721 1.00 0.00 H new ATOM 0 HB3 ALA B 362 -4.916 20.338 9.494 1.00 0.00 H new ATOM 2378 N PRO B 363 -7.480 17.804 11.067 1.00 0.00 N ATOM 2379 CA PRO B 363 -8.915 17.579 10.908 1.00 0.00 C ATOM 2380 C PRO B 363 -9.699 18.894 10.970 1.00 0.00 C ATOM 2381 O PRO B 363 -9.301 19.830 11.659 1.00 0.00 O ATOM 2382 CB PRO B 363 -9.289 16.648 12.064 1.00 0.00 C ATOM 2383 CG PRO B 363 -8.363 17.123 13.184 1.00 0.00 C ATOM 2384 CD PRO B 363 -7.076 17.464 12.427 1.00 0.00 C ATOM 0 HA PRO B 363 -9.157 17.146 9.938 1.00 0.00 H new ATOM 0 HB2 PRO B 363 -10.340 16.743 12.338 1.00 0.00 H new ATOM 0 HB3 PRO B 363 -9.119 15.601 11.813 1.00 0.00 H new ATOM 0 HG2 PRO B 363 -8.769 17.990 13.706 1.00 0.00 H new ATOM 0 HG3 PRO B 363 -8.200 16.348 13.933 1.00 0.00 H new ATOM 0 HD2 PRO B 363 -6.557 18.298 12.899 1.00 0.00 H new ATOM 0 HD3 PRO B 363 -6.388 16.618 12.429 1.00 0.00 H new ATOM 2392 N GLU B 364 -10.867 18.953 10.329 1.00 0.00 N ATOM 2393 CA GLU B 364 -11.782 20.096 10.476 1.00 0.00 C ATOM 2394 C GLU B 364 -12.370 20.213 11.888 1.00 0.00 C ATOM 2395 O GLU B 364 -12.519 21.325 12.399 1.00 0.00 O ATOM 2396 CB GLU B 364 -12.881 20.080 9.411 1.00 0.00 C ATOM 2397 CG GLU B 364 -13.754 18.817 9.385 1.00 0.00 C ATOM 2398 CD GLU B 364 -14.784 18.895 8.242 1.00 0.00 C ATOM 2399 OE1 GLU B 364 -14.440 18.538 7.089 1.00 0.00 O ATOM 2400 OE2 GLU B 364 -15.944 19.307 8.491 1.00 0.00 O ATOM 0 H GLU B 364 -11.206 18.224 9.701 1.00 0.00 H new ATOM 0 HA GLU B 364 -11.179 20.990 10.319 1.00 0.00 H new ATOM 0 HB2 GLU B 364 -13.527 20.944 9.566 1.00 0.00 H new ATOM 0 HB3 GLU B 364 -12.417 20.201 8.432 1.00 0.00 H new ATOM 0 HG2 GLU B 364 -13.125 17.936 9.256 1.00 0.00 H new ATOM 0 HG3 GLU B 364 -14.269 18.704 10.339 1.00 0.00 H new ATOM 2407 N ILE B 365 -12.650 19.073 12.531 1.00 0.00 N ATOM 2408 CA ILE B 365 -13.007 18.992 13.950 1.00 0.00 C ATOM 2409 C ILE B 365 -12.645 17.618 14.546 1.00 0.00 C ATOM 2410 O ILE B 365 -12.506 16.634 13.817 1.00 0.00 O ATOM 2411 CB ILE B 365 -14.485 19.392 14.176 1.00 0.00 C ATOM 2412 CG1 ILE B 365 -14.618 20.084 15.550 1.00 0.00 C ATOM 2413 CG2 ILE B 365 -15.445 18.201 14.007 1.00 0.00 C ATOM 2414 CD1 ILE B 365 -15.947 20.818 15.745 1.00 0.00 C ATOM 0 H ILE B 365 -12.634 18.164 12.069 1.00 0.00 H new ATOM 0 HA ILE B 365 -12.408 19.719 14.498 1.00 0.00 H new ATOM 0 HB ILE B 365 -14.783 20.102 13.405 1.00 0.00 H new ATOM 0 HG12 ILE B 365 -14.508 19.336 16.335 1.00 0.00 H new ATOM 0 HG13 ILE B 365 -13.800 20.795 15.669 1.00 0.00 H new ATOM 0 HG21 ILE B 365 -16.470 18.533 14.176 1.00 0.00 H new ATOM 0 HG22 ILE B 365 -15.355 17.801 12.997 1.00 0.00 H new ATOM 0 HG23 ILE B 365 -15.192 17.424 14.729 1.00 0.00 H new ATOM 0 HD11 ILE B 365 -15.967 21.279 16.733 1.00 0.00 H new ATOM 0 HD12 ILE B 365 -16.052 21.590 14.983 1.00 0.00 H new ATOM 0 HD13 ILE B 365 -16.770 20.109 15.659 1.00 0.00 H new ATOM 2426 N ILE B 366 -12.495 17.538 15.873 1.00 0.00 N ATOM 2427 CA ILE B 366 -12.078 16.318 16.581 1.00 0.00 C ATOM 2428 C ILE B 366 -13.254 15.350 16.800 1.00 0.00 C ATOM 2429 O ILE B 366 -14.311 15.734 17.306 1.00 0.00 O ATOM 2430 CB ILE B 366 -11.296 16.685 17.870 1.00 0.00 C ATOM 2431 CG1 ILE B 366 -10.617 15.483 18.556 1.00 0.00 C ATOM 2432 CG2 ILE B 366 -12.088 17.560 18.862 1.00 0.00 C ATOM 2433 CD1 ILE B 366 -11.471 14.663 19.524 1.00 0.00 C ATOM 0 H ILE B 366 -12.662 18.329 16.496 1.00 0.00 H new ATOM 0 HA ILE B 366 -11.383 15.760 15.953 1.00 0.00 H new ATOM 0 HB ILE B 366 -10.484 17.316 17.508 1.00 0.00 H new ATOM 0 HG12 ILE B 366 -10.248 14.813 17.779 1.00 0.00 H new ATOM 0 HG13 ILE B 366 -9.747 15.850 19.100 1.00 0.00 H new ATOM 0 HG21 ILE B 366 -11.470 17.771 19.735 1.00 0.00 H new ATOM 0 HG22 ILE B 366 -12.366 18.497 18.379 1.00 0.00 H new ATOM 0 HG23 ILE B 366 -12.989 17.032 19.174 1.00 0.00 H new ATOM 0 HD11 ILE B 366 -10.874 13.849 19.936 1.00 0.00 H new ATOM 0 HD12 ILE B 366 -11.820 15.304 20.334 1.00 0.00 H new ATOM 0 HD13 ILE B 366 -12.329 14.251 18.993 1.00 0.00 H new