USER MOD reduce.3.24.130724 H: found=0, std=0, add=866, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 869 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 115 TYR OH : rot 180:sc= -1.17 USER MOD Set 1.2: A 130 GLN : amide:sc= -0.226 K(o=-1.4,f=-2.7) USER MOD Set 2.1: A 20 SER OG : rot 87:sc= -3.5! USER MOD Set 2.2: A 121 ASN : amide:sc= 0.46 K(o=-3,f=-5.6) USER MOD Set 3.1: A 68 LYS NZ :NH3+ -149:sc= -0.0301 (180deg=-1.02) USER MOD Set 3.2: A 70 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 21 CYS SG : rot 29:sc= -2.33 USER MOD Set 4.2: A 23 GLN : amide:sc=-0.00602 K(o=-2.3,f=-5.4!) USER MOD Set 5.1: A 17 THR OG1 : rot -150:sc= 0.109 USER MOD Set 5.2: A 47 HIS :FLIP no HD1:sc= -0.942 F(o=-4.2!,f=-2.4) USER MOD Set 5.3: A 51 MET CE :methyl -151:sc= -1.55! (180deg=-4!) USER MOD Set 6.1: A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 6.2: A 90 THR OG1 : rot 10:sc= 0.469 USER MOD Single : A 7 SER OG : rot 120:sc= -3.42! USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -4.69 K(o=-4.7,f=-6.9!) USER MOD Single : A 19 SER OG : rot -132:sc= -2.28! USER MOD Single : A 38 ASN : amide:sc= -0.114 X(o=-0.11,f=0) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 42 THR OG1 : rot 180:sc= -2.04! USER MOD Single : A 48 ASN : amide:sc= -5.64! C(o=-5.6!,f=-14!) USER MOD Single : A 53 MET CE :methyl 179:sc= -0.301 (180deg=-0.301) USER MOD Single : A 57 LYS NZ :NH3+ 153:sc= -0.897 (180deg=-2.24!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 MET CE :methyl -137:sc= -4.87! (180deg=-7.18!) USER MOD Single : A 71 MET CE :methyl -160:sc= -2.27! (180deg=-2.92!) USER MOD Single : A 72 ASN : amide:sc= -0.414 X(o=-0.41,f=-0.13) USER MOD Single : A 79 CYS SG : rot 43:sc= -2.04 USER MOD Single : A 81 TYR OH : rot 180:sc= -0.3 USER MOD Single : A 82 SER OG : rot -51:sc= -7.38! USER MOD Single : A 83 THR OG1 : rot -113:sc= 0.128 USER MOD Single : A 86 HIS : no HE2:sc= -0.722 K(o=-0.72,f=-6.9!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot -48:sc= 0.113 USER MOD Single : A 94 CYS SG : rot -118:sc= -10.8! USER MOD Single : A 96 THR OG1 : rot 113:sc= -0.746 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot 160:sc= 0 USER MOD Single : A 113 GLN :FLIP amide:sc= -1 F(o=-1.7,f=-1) USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 ASN : amide:sc= -0.298 K(o=-0.3,f=-1.6) USER MOD Single : A 120 THR OG1 : rot 178:sc= -1.44! USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 127 HIS :FLIP no HE2:sc= -15.4! C(o=-16!,f=-15!) USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 100 N VAL A 6 3.108 -8.451 -3.250 1.00 0.00 N ATOM 101 CA VAL A 6 2.583 -7.822 -2.046 1.00 0.00 C ATOM 102 C VAL A 6 2.479 -8.840 -0.916 1.00 0.00 C ATOM 103 O VAL A 6 1.644 -9.745 -0.954 1.00 0.00 O ATOM 104 CB VAL A 6 1.204 -7.174 -2.286 1.00 0.00 C ATOM 105 CG1 VAL A 6 0.874 -6.193 -1.175 1.00 0.00 C ATOM 106 CG2 VAL A 6 1.157 -6.476 -3.631 1.00 0.00 C ATOM 0 HA VAL A 6 3.281 -7.033 -1.766 1.00 0.00 H new ATOM 0 HB VAL A 6 0.457 -7.968 -2.286 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -0.102 -5.746 -1.362 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.856 -6.718 -0.220 1.00 0.00 H new ATOM 0 HG13 VAL A 6 1.631 -5.410 -1.144 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.174 -6.028 -3.774 1.00 0.00 H new ATOM 0 HG22 VAL A 6 1.919 -5.697 -3.664 1.00 0.00 H new ATOM 0 HG23 VAL A 6 1.345 -7.200 -4.424 1.00 0.00 H new ATOM 116 N SER A 7 3.352 -8.692 0.080 1.00 0.00 N ATOM 117 CA SER A 7 3.396 -9.598 1.229 1.00 0.00 C ATOM 118 C SER A 7 2.003 -10.011 1.692 1.00 0.00 C ATOM 119 O SER A 7 1.677 -11.196 1.719 1.00 0.00 O ATOM 120 CB SER A 7 4.155 -8.947 2.387 1.00 0.00 C ATOM 121 OG SER A 7 4.782 -7.745 1.976 1.00 0.00 O ATOM 0 H SER A 7 4.046 -7.945 0.114 1.00 0.00 H new ATOM 0 HA SER A 7 3.918 -10.500 0.908 1.00 0.00 H new ATOM 0 HB2 SER A 7 3.466 -8.740 3.206 1.00 0.00 H new ATOM 0 HB3 SER A 7 4.905 -9.640 2.769 1.00 0.00 H new ATOM 0 HG SER A 7 4.431 -6.996 2.502 1.00 0.00 H new ATOM 127 N TYR A 8 1.189 -9.033 2.068 1.00 0.00 N ATOM 128 CA TYR A 8 -0.158 -9.319 2.539 1.00 0.00 C ATOM 129 C TYR A 8 -1.121 -8.187 2.193 1.00 0.00 C ATOM 130 O TYR A 8 -1.007 -7.090 2.716 1.00 0.00 O ATOM 131 CB TYR A 8 -0.148 -9.546 4.045 1.00 0.00 C ATOM 132 CG TYR A 8 1.014 -10.383 4.538 1.00 0.00 C ATOM 133 CD1 TYR A 8 0.936 -11.770 4.566 1.00 0.00 C ATOM 134 CD2 TYR A 8 2.187 -9.785 4.979 1.00 0.00 C ATOM 135 CE1 TYR A 8 1.993 -12.536 5.017 1.00 0.00 C ATOM 136 CE2 TYR A 8 3.249 -10.545 5.431 1.00 0.00 C ATOM 137 CZ TYR A 8 3.147 -11.919 5.448 1.00 0.00 C ATOM 138 OH TYR A 8 4.203 -12.679 5.897 1.00 0.00 O ATOM 0 H TYR A 8 1.436 -8.043 2.056 1.00 0.00 H new ATOM 0 HA TYR A 8 -0.503 -10.223 2.037 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -0.123 -8.579 4.547 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -1.080 -10.032 4.334 1.00 0.00 H new ATOM 0 HD1 TYR A 8 0.033 -12.258 4.229 1.00 0.00 H new ATOM 0 HD2 TYR A 8 2.271 -8.708 4.969 1.00 0.00 H new ATOM 0 HE1 TYR A 8 1.915 -13.613 5.032 1.00 0.00 H new ATOM 0 HE2 TYR A 8 4.155 -10.064 5.769 1.00 0.00 H new ATOM 0 HH TYR A 8 4.940 -12.090 6.163 1.00 0.00 H new ATOM 148 N VAL A 9 -2.069 -8.470 1.313 1.00 0.00 N ATOM 149 CA VAL A 9 -3.054 -7.471 0.896 1.00 0.00 C ATOM 150 C VAL A 9 -4.427 -7.760 1.493 1.00 0.00 C ATOM 151 O VAL A 9 -5.154 -8.620 1.000 1.00 0.00 O ATOM 152 CB VAL A 9 -3.189 -7.414 -0.641 1.00 0.00 C ATOM 153 CG1 VAL A 9 -3.834 -6.107 -1.077 1.00 0.00 C ATOM 154 CG2 VAL A 9 -1.835 -7.601 -1.314 1.00 0.00 C ATOM 0 H VAL A 9 -2.181 -9.382 0.871 1.00 0.00 H new ATOM 0 HA VAL A 9 -2.692 -6.511 1.263 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.836 -8.234 -0.954 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.919 -6.088 -2.163 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.826 -6.025 -0.634 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.219 -5.270 -0.747 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.957 -7.557 -2.396 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.157 -6.810 -0.993 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.421 -8.570 -1.035 1.00 0.00 H new ATOM 164 N GLU A 10 -4.783 -7.043 2.557 1.00 0.00 N ATOM 165 CA GLU A 10 -6.073 -7.243 3.208 1.00 0.00 C ATOM 166 C GLU A 10 -6.999 -6.044 3.011 1.00 0.00 C ATOM 167 O GLU A 10 -6.628 -4.903 3.283 1.00 0.00 O ATOM 168 CB GLU A 10 -5.872 -7.507 4.701 1.00 0.00 C ATOM 169 CG GLU A 10 -6.492 -8.810 5.175 1.00 0.00 C ATOM 170 CD GLU A 10 -6.409 -8.980 6.680 1.00 0.00 C ATOM 171 OE1 GLU A 10 -6.478 -10.134 7.153 1.00 0.00 O ATOM 172 OE2 GLU A 10 -6.274 -7.959 7.385 1.00 0.00 O ATOM 0 H GLU A 10 -4.200 -6.323 2.983 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.546 -8.109 2.745 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -4.804 -7.522 4.919 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.302 -6.682 5.269 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -7.537 -8.845 4.866 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -5.988 -9.646 4.690 1.00 0.00 H new ATOM 179 N VAL A 11 -8.218 -6.324 2.556 1.00 0.00 N ATOM 180 CA VAL A 11 -9.220 -5.287 2.343 1.00 0.00 C ATOM 181 C VAL A 11 -10.164 -5.234 3.544 1.00 0.00 C ATOM 182 O VAL A 11 -10.471 -6.263 4.142 1.00 0.00 O ATOM 183 CB VAL A 11 -10.021 -5.539 1.045 1.00 0.00 C ATOM 184 CG1 VAL A 11 -11.236 -4.625 0.950 1.00 0.00 C ATOM 185 CG2 VAL A 11 -9.125 -5.364 -0.171 1.00 0.00 C ATOM 0 H VAL A 11 -8.535 -7.266 2.327 1.00 0.00 H new ATOM 0 HA VAL A 11 -8.709 -4.330 2.238 1.00 0.00 H new ATOM 0 HB VAL A 11 -10.384 -6.567 1.071 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -11.775 -4.831 0.025 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -11.894 -4.805 1.800 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -10.910 -3.585 0.957 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -9.703 -5.545 -1.078 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -8.730 -4.348 -0.189 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -8.299 -6.074 -0.120 1.00 0.00 H new ATOM 195 N ILE A 12 -10.593 -4.034 3.907 1.00 0.00 N ATOM 196 CA ILE A 12 -11.470 -3.853 5.060 1.00 0.00 C ATOM 197 C ILE A 12 -12.827 -3.279 4.674 1.00 0.00 C ATOM 198 O ILE A 12 -12.912 -2.163 4.172 1.00 0.00 O ATOM 199 CB ILE A 12 -10.813 -2.908 6.079 1.00 0.00 C ATOM 200 CG1 ILE A 12 -9.529 -3.526 6.626 1.00 0.00 C ATOM 201 CG2 ILE A 12 -11.770 -2.578 7.211 1.00 0.00 C ATOM 202 CD1 ILE A 12 -8.289 -2.748 6.258 1.00 0.00 C ATOM 0 H ILE A 12 -10.350 -3.170 3.422 1.00 0.00 H new ATOM 0 HA ILE A 12 -11.626 -4.841 5.493 1.00 0.00 H new ATOM 0 HB ILE A 12 -10.562 -1.978 5.568 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -9.599 -3.592 7.712 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -9.435 -4.545 6.250 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -11.280 -1.908 7.918 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -12.658 -2.093 6.807 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -12.059 -3.496 7.722 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -7.412 -3.241 6.678 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -8.196 -2.704 5.173 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -8.362 -1.736 6.657 1.00 0.00 H new ATOM 214 N LYS A 13 -13.888 -4.032 4.931 1.00 0.00 N ATOM 215 CA LYS A 13 -15.234 -3.559 4.624 1.00 0.00 C ATOM 216 C LYS A 13 -15.932 -3.017 5.869 1.00 0.00 C ATOM 217 O LYS A 13 -16.428 -3.782 6.697 1.00 0.00 O ATOM 218 CB LYS A 13 -16.075 -4.682 4.015 1.00 0.00 C ATOM 219 CG LYS A 13 -17.306 -4.188 3.268 1.00 0.00 C ATOM 220 CD LYS A 13 -17.189 -4.427 1.772 1.00 0.00 C ATOM 221 CE LYS A 13 -18.329 -3.768 1.012 1.00 0.00 C ATOM 222 NZ LYS A 13 -18.087 -3.764 -0.458 1.00 0.00 N ATOM 0 H LYS A 13 -13.846 -4.963 5.346 1.00 0.00 H new ATOM 0 HA LYS A 13 -15.136 -2.749 3.901 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -15.453 -5.260 3.331 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -16.390 -5.359 4.809 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -18.192 -4.696 3.650 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -17.443 -3.123 3.457 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -16.237 -4.036 1.413 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -17.189 -5.499 1.573 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -19.260 -4.294 1.225 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -18.454 -2.743 1.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -18.887 -3.306 -0.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -17.212 -3.240 -0.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -17.993 -4.743 -0.797 1.00 0.00 H new ATOM 236 N ASN A 14 -15.982 -1.692 5.987 1.00 0.00 N ATOM 237 CA ASN A 14 -16.638 -1.044 7.121 1.00 0.00 C ATOM 238 C ASN A 14 -15.965 -1.408 8.441 1.00 0.00 C ATOM 239 O ASN A 14 -16.640 -1.628 9.448 1.00 0.00 O ATOM 240 CB ASN A 14 -18.114 -1.437 7.165 1.00 0.00 C ATOM 241 CG ASN A 14 -19.023 -0.253 7.435 1.00 0.00 C ATOM 242 OD1 ASN A 14 -18.566 0.815 7.842 1.00 0.00 O ATOM 243 ND2 ASN A 14 -20.319 -0.438 7.211 1.00 0.00 N ATOM 0 H ASN A 14 -15.576 -1.045 5.311 1.00 0.00 H new ATOM 0 HA ASN A 14 -16.551 0.034 6.985 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -18.393 -1.896 6.216 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -18.263 -2.189 7.939 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -20.979 0.322 7.376 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -20.655 -1.340 6.874 1.00 0.00 H new ATOM 250 N GLY A 15 -14.640 -1.475 8.435 1.00 0.00 N ATOM 251 CA GLY A 15 -13.917 -1.820 9.641 1.00 0.00 C ATOM 252 C GLY A 15 -13.926 -3.311 9.895 1.00 0.00 C ATOM 253 O GLY A 15 -13.776 -3.758 11.031 1.00 0.00 O ATOM 0 H GLY A 15 -14.055 -1.297 7.618 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -12.887 -1.471 9.560 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -14.362 -1.304 10.492 1.00 0.00 H new ATOM 257 N GLU A 16 -14.102 -4.078 8.826 1.00 0.00 N ATOM 258 CA GLU A 16 -14.129 -5.526 8.925 1.00 0.00 C ATOM 259 C GLU A 16 -13.500 -6.146 7.688 1.00 0.00 C ATOM 260 O GLU A 16 -14.023 -6.019 6.581 1.00 0.00 O ATOM 261 CB GLU A 16 -15.562 -6.029 9.096 1.00 0.00 C ATOM 262 CG GLU A 16 -16.172 -5.684 10.445 1.00 0.00 C ATOM 263 CD GLU A 16 -17.471 -6.422 10.703 1.00 0.00 C ATOM 264 OE1 GLU A 16 -18.452 -5.771 11.116 1.00 0.00 O ATOM 265 OE2 GLU A 16 -17.505 -7.654 10.491 1.00 0.00 O ATOM 0 H GLU A 16 -14.228 -3.717 7.880 1.00 0.00 H new ATOM 0 HA GLU A 16 -13.554 -5.823 9.802 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -16.183 -5.605 8.307 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -15.576 -7.111 8.967 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -15.459 -5.924 11.234 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -16.352 -4.610 10.494 1.00 0.00 H new ATOM 272 N THR A 17 -12.368 -6.805 7.881 1.00 0.00 N ATOM 273 CA THR A 17 -11.653 -7.433 6.778 1.00 0.00 C ATOM 274 C THR A 17 -12.574 -8.306 5.933 1.00 0.00 C ATOM 275 O THR A 17 -13.254 -9.193 6.449 1.00 0.00 O ATOM 276 CB THR A 17 -10.492 -8.274 7.305 1.00 0.00 C ATOM 277 OG1 THR A 17 -10.116 -7.857 8.606 1.00 0.00 O ATOM 278 CG2 THR A 17 -9.266 -8.203 6.423 1.00 0.00 C ATOM 0 H THR A 17 -11.923 -6.920 8.792 1.00 0.00 H new ATOM 0 HA THR A 17 -11.266 -6.634 6.145 1.00 0.00 H new ATOM 0 HB THR A 17 -10.856 -9.301 7.317 1.00 0.00 H new ATOM 0 HG1 THR A 17 -9.160 -8.024 8.739 1.00 0.00 H new ATOM 0 HG21 THR A 17 -8.475 -8.820 6.849 1.00 0.00 H new ATOM 0 HG22 THR A 17 -9.514 -8.567 5.426 1.00 0.00 H new ATOM 0 HG23 THR A 17 -8.924 -7.170 6.357 1.00 0.00 H new ATOM 286 N ILE A 18 -12.575 -8.056 4.630 1.00 0.00 N ATOM 287 CA ILE A 18 -13.395 -8.829 3.707 1.00 0.00 C ATOM 288 C ILE A 18 -12.532 -9.801 2.917 1.00 0.00 C ATOM 289 O ILE A 18 -12.829 -10.993 2.827 1.00 0.00 O ATOM 290 CB ILE A 18 -14.165 -7.937 2.705 1.00 0.00 C ATOM 291 CG1 ILE A 18 -13.493 -6.581 2.511 1.00 0.00 C ATOM 292 CG2 ILE A 18 -15.600 -7.742 3.153 1.00 0.00 C ATOM 293 CD1 ILE A 18 -14.167 -5.742 1.447 1.00 0.00 C ATOM 0 H ILE A 18 -12.018 -7.325 4.189 1.00 0.00 H new ATOM 0 HA ILE A 18 -14.120 -9.366 4.319 1.00 0.00 H new ATOM 0 HB ILE A 18 -14.155 -8.455 1.746 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -13.501 -6.037 3.456 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -12.448 -6.733 2.240 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -16.123 -7.112 2.434 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -16.096 -8.710 3.215 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -15.614 -7.264 4.132 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -13.647 -4.789 1.352 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -14.135 -6.269 0.494 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -15.205 -5.563 1.728 1.00 0.00 H new ATOM 305 N SER A 19 -11.466 -9.271 2.341 1.00 0.00 N ATOM 306 CA SER A 19 -10.540 -10.074 1.542 1.00 0.00 C ATOM 307 C SER A 19 -9.135 -10.053 2.136 1.00 0.00 C ATOM 308 O SER A 19 -8.863 -9.307 3.077 1.00 0.00 O ATOM 309 CB SER A 19 -10.507 -9.565 0.103 1.00 0.00 C ATOM 310 OG SER A 19 -9.849 -8.317 0.014 1.00 0.00 O ATOM 0 H SER A 19 -11.215 -8.285 2.409 1.00 0.00 H new ATOM 0 HA SER A 19 -10.896 -11.104 1.550 1.00 0.00 H new ATOM 0 HB2 SER A 19 -9.999 -10.292 -0.531 1.00 0.00 H new ATOM 0 HB3 SER A 19 -11.525 -9.469 -0.275 1.00 0.00 H new ATOM 0 HG SER A 19 -10.388 -7.700 -0.524 1.00 0.00 H new ATOM 316 N SER A 20 -8.240 -10.876 1.581 1.00 0.00 N ATOM 317 CA SER A 20 -6.863 -10.947 2.068 1.00 0.00 C ATOM 318 C SER A 20 -5.956 -11.729 1.115 1.00 0.00 C ATOM 319 O SER A 20 -6.299 -12.826 0.672 1.00 0.00 O ATOM 320 CB SER A 20 -6.823 -11.603 3.451 1.00 0.00 C ATOM 321 OG SER A 20 -7.809 -11.059 4.312 1.00 0.00 O ATOM 0 H SER A 20 -8.444 -11.498 0.799 1.00 0.00 H new ATOM 0 HA SER A 20 -6.492 -9.924 2.128 1.00 0.00 H new ATOM 0 HB2 SER A 20 -6.979 -12.677 3.350 1.00 0.00 H new ATOM 0 HB3 SER A 20 -5.836 -11.464 3.892 1.00 0.00 H new ATOM 0 HG SER A 20 -8.655 -11.538 4.184 1.00 0.00 H new ATOM 327 N CYS A 21 -4.785 -11.164 0.833 1.00 0.00 N ATOM 328 CA CYS A 21 -3.797 -11.806 -0.033 1.00 0.00 C ATOM 329 C CYS A 21 -2.537 -12.092 0.773 1.00 0.00 C ATOM 330 O CYS A 21 -1.505 -11.449 0.583 1.00 0.00 O ATOM 331 CB CYS A 21 -3.457 -10.909 -1.228 1.00 0.00 C ATOM 332 SG CYS A 21 -2.119 -11.535 -2.273 1.00 0.00 S ATOM 0 H CYS A 21 -4.495 -10.255 1.194 1.00 0.00 H new ATOM 0 HA CYS A 21 -4.213 -12.739 -0.414 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -4.351 -10.784 -1.839 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -3.182 -9.921 -0.859 1.00 0.00 H new ATOM 0 HG CYS A 21 -2.097 -12.834 -2.218 1.00 0.00 H new ATOM 338 N PHE A 22 -2.645 -13.035 1.698 1.00 0.00 N ATOM 339 CA PHE A 22 -1.529 -13.381 2.565 1.00 0.00 C ATOM 340 C PHE A 22 -0.892 -14.699 2.147 1.00 0.00 C ATOM 341 O PHE A 22 -1.365 -15.775 2.512 1.00 0.00 O ATOM 342 CB PHE A 22 -2.015 -13.438 4.018 1.00 0.00 C ATOM 343 CG PHE A 22 -2.422 -12.085 4.540 1.00 0.00 C ATOM 344 CD1 PHE A 22 -3.287 -11.285 3.811 1.00 0.00 C ATOM 345 CD2 PHE A 22 -1.918 -11.598 5.738 1.00 0.00 C ATOM 346 CE1 PHE A 22 -3.640 -10.031 4.257 1.00 0.00 C ATOM 347 CE2 PHE A 22 -2.277 -10.339 6.194 1.00 0.00 C ATOM 348 CZ PHE A 22 -3.137 -9.557 5.446 1.00 0.00 C ATOM 0 H PHE A 22 -3.494 -13.574 1.867 1.00 0.00 H new ATOM 0 HA PHE A 22 -0.761 -12.613 2.476 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -2.861 -14.121 4.089 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -1.223 -13.844 4.648 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -3.691 -11.651 2.878 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -1.240 -12.205 6.320 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -4.312 -9.420 3.673 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.886 -9.970 7.131 1.00 0.00 H new ATOM 0 HZ PHE A 22 -3.414 -8.573 5.795 1.00 0.00 H new ATOM 358 N GLN A 23 0.184 -14.605 1.369 1.00 0.00 N ATOM 359 CA GLN A 23 0.883 -15.797 0.894 1.00 0.00 C ATOM 360 C GLN A 23 2.399 -15.645 1.025 1.00 0.00 C ATOM 361 O GLN A 23 2.971 -14.650 0.576 1.00 0.00 O ATOM 362 CB GLN A 23 0.514 -16.077 -0.563 1.00 0.00 C ATOM 363 CG GLN A 23 0.968 -14.990 -1.526 1.00 0.00 C ATOM 364 CD GLN A 23 -0.167 -14.432 -2.361 1.00 0.00 C ATOM 365 OE1 GLN A 23 -1.341 -14.693 -2.090 1.00 0.00 O ATOM 366 NE2 GLN A 23 0.175 -13.658 -3.386 1.00 0.00 N ATOM 0 H GLN A 23 0.589 -13.723 1.056 1.00 0.00 H new ATOM 0 HA GLN A 23 0.572 -16.636 1.516 1.00 0.00 H new ATOM 0 HB2 GLN A 23 0.956 -17.026 -0.865 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -0.567 -16.190 -0.640 1.00 0.00 H new ATOM 0 HG2 GLN A 23 1.429 -14.180 -0.961 1.00 0.00 H new ATOM 0 HG3 GLN A 23 1.735 -15.394 -2.187 1.00 0.00 H new ATOM 0 HE21 GLN A 23 1.159 -13.467 -3.575 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -0.547 -13.255 -3.984 1.00 0.00 H new ATOM 587 N ASN A 38 10.006 -12.912 9.142 1.00 0.00 N ATOM 588 CA ASN A 38 8.830 -12.185 8.681 1.00 0.00 C ATOM 589 C ASN A 38 7.893 -13.099 7.898 1.00 0.00 C ATOM 590 O ASN A 38 7.203 -12.658 6.979 1.00 0.00 O ATOM 591 CB ASN A 38 9.249 -10.997 7.808 1.00 0.00 C ATOM 592 CG ASN A 38 10.518 -10.328 8.302 1.00 0.00 C ATOM 593 OD1 ASN A 38 11.573 -10.433 7.677 1.00 0.00 O ATOM 594 ND2 ASN A 38 10.423 -9.636 9.432 1.00 0.00 N ATOM 0 HA ASN A 38 8.297 -11.816 9.557 1.00 0.00 H new ATOM 0 HB2 ASN A 38 9.398 -11.338 6.784 1.00 0.00 H new ATOM 0 HB3 ASN A 38 8.442 -10.265 7.786 1.00 0.00 H new ATOM 0 HD21 ASN A 38 11.244 -9.166 9.813 1.00 0.00 H new ATOM 0 HD22 ASN A 38 9.529 -9.574 9.919 1.00 0.00 H new ATOM 601 N GLU A 39 7.869 -14.375 8.270 1.00 0.00 N ATOM 602 CA GLU A 39 7.011 -15.349 7.605 1.00 0.00 C ATOM 603 C GLU A 39 6.281 -16.218 8.623 1.00 0.00 C ATOM 604 O GLU A 39 5.915 -17.359 8.339 1.00 0.00 O ATOM 605 CB GLU A 39 7.831 -16.222 6.653 1.00 0.00 C ATOM 606 CG GLU A 39 6.983 -17.105 5.751 1.00 0.00 C ATOM 607 CD GLU A 39 7.484 -18.535 5.695 1.00 0.00 C ATOM 608 OE1 GLU A 39 6.683 -19.455 5.960 1.00 0.00 O ATOM 609 OE2 GLU A 39 8.677 -18.735 5.382 1.00 0.00 O ATOM 0 H GLU A 39 8.434 -14.758 9.028 1.00 0.00 H new ATOM 0 HA GLU A 39 6.266 -14.803 7.026 1.00 0.00 H new ATOM 0 HB2 GLU A 39 8.457 -15.580 6.034 1.00 0.00 H new ATOM 0 HB3 GLU A 39 8.501 -16.852 7.238 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.953 -17.099 6.107 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.975 -16.687 4.744 1.00 0.00 H new ATOM 616 N GLN A 40 6.064 -15.661 9.809 1.00 0.00 N ATOM 617 CA GLN A 40 5.367 -16.367 10.881 1.00 0.00 C ATOM 618 C GLN A 40 4.086 -15.627 11.263 1.00 0.00 C ATOM 619 O GLN A 40 3.110 -16.234 11.703 1.00 0.00 O ATOM 620 CB GLN A 40 6.276 -16.506 12.104 1.00 0.00 C ATOM 621 CG GLN A 40 7.461 -17.428 11.879 1.00 0.00 C ATOM 622 CD GLN A 40 8.294 -17.625 13.132 1.00 0.00 C ATOM 623 OE1 GLN A 40 8.048 -16.994 14.160 1.00 0.00 O ATOM 624 NE2 GLN A 40 9.288 -18.503 13.051 1.00 0.00 N ATOM 0 H GLN A 40 6.362 -14.717 10.055 1.00 0.00 H new ATOM 0 HA GLN A 40 5.103 -17.362 10.523 1.00 0.00 H new ATOM 0 HB2 GLN A 40 6.643 -15.520 12.388 1.00 0.00 H new ATOM 0 HB3 GLN A 40 5.689 -16.881 12.942 1.00 0.00 H new ATOM 0 HG2 GLN A 40 7.102 -18.396 11.530 1.00 0.00 H new ATOM 0 HG3 GLN A 40 8.091 -17.018 11.089 1.00 0.00 H new ATOM 0 HE21 GLN A 40 9.456 -19.004 12.179 1.00 0.00 H new ATOM 0 HE22 GLN A 40 9.883 -18.676 13.861 1.00 0.00 H new ATOM 633 N ILE A 41 4.103 -14.311 11.077 1.00 0.00 N ATOM 634 CA ILE A 41 2.955 -13.466 11.382 1.00 0.00 C ATOM 635 C ILE A 41 1.711 -13.943 10.632 1.00 0.00 C ATOM 636 O ILE A 41 1.727 -14.062 9.406 1.00 0.00 O ATOM 637 CB ILE A 41 3.239 -12.006 10.993 1.00 0.00 C ATOM 638 CG1 ILE A 41 4.579 -11.535 11.579 1.00 0.00 C ATOM 639 CG2 ILE A 41 2.100 -11.103 11.441 1.00 0.00 C ATOM 640 CD1 ILE A 41 4.484 -11.006 12.993 1.00 0.00 C ATOM 0 H ILE A 41 4.909 -13.803 10.712 1.00 0.00 H new ATOM 0 HA ILE A 41 2.776 -13.531 12.455 1.00 0.00 H new ATOM 0 HB ILE A 41 3.311 -11.948 9.907 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.284 -12.366 11.560 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.989 -10.755 10.938 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.319 -10.074 11.157 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.173 -11.422 10.964 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.991 -11.165 12.524 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.472 -10.695 13.332 1.00 0.00 H new ATOM 0 HD12 ILE A 41 3.806 -10.153 13.017 1.00 0.00 H new ATOM 0 HD13 ILE A 41 4.105 -11.789 13.650 1.00 0.00 H new ATOM 652 N THR A 42 0.632 -14.203 11.365 1.00 0.00 N ATOM 653 CA THR A 42 -0.614 -14.651 10.749 1.00 0.00 C ATOM 654 C THR A 42 -1.427 -13.452 10.291 1.00 0.00 C ATOM 655 O THR A 42 -1.363 -12.384 10.899 1.00 0.00 O ATOM 656 CB THR A 42 -1.450 -15.490 11.729 1.00 0.00 C ATOM 657 OG1 THR A 42 -2.620 -15.982 11.107 1.00 0.00 O ATOM 658 CG2 THR A 42 -1.879 -14.736 12.962 1.00 0.00 C ATOM 0 H THR A 42 0.594 -14.112 12.380 1.00 0.00 H new ATOM 0 HA THR A 42 -0.359 -15.274 9.891 1.00 0.00 H new ATOM 0 HB THR A 42 -0.789 -16.302 12.031 1.00 0.00 H new ATOM 0 HG1 THR A 42 -3.134 -16.514 11.750 1.00 0.00 H new ATOM 0 HG21 THR A 42 -2.464 -15.393 13.605 1.00 0.00 H new ATOM 0 HG22 THR A 42 -0.998 -14.390 13.502 1.00 0.00 H new ATOM 0 HG23 THR A 42 -2.486 -13.878 12.671 1.00 0.00 H new ATOM 666 N PRO A 43 -2.219 -13.611 9.217 1.00 0.00 N ATOM 667 CA PRO A 43 -3.057 -12.533 8.697 1.00 0.00 C ATOM 668 C PRO A 43 -3.793 -11.801 9.820 1.00 0.00 C ATOM 669 O PRO A 43 -4.195 -10.652 9.666 1.00 0.00 O ATOM 670 CB PRO A 43 -4.052 -13.243 7.765 1.00 0.00 C ATOM 671 CG PRO A 43 -3.734 -14.707 7.835 1.00 0.00 C ATOM 672 CD PRO A 43 -2.365 -14.843 8.440 1.00 0.00 C ATOM 0 HA PRO A 43 -2.470 -11.770 8.185 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -5.079 -13.054 8.078 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -3.957 -12.874 6.744 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -4.474 -15.232 8.439 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -3.760 -15.153 6.841 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -2.290 -15.728 9.071 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -1.594 -14.930 7.675 1.00 0.00 H new ATOM 680 N VAL A 44 -3.941 -12.484 10.953 1.00 0.00 N ATOM 681 CA VAL A 44 -4.598 -11.941 12.131 1.00 0.00 C ATOM 682 C VAL A 44 -3.791 -10.798 12.731 1.00 0.00 C ATOM 683 O VAL A 44 -4.344 -9.757 13.068 1.00 0.00 O ATOM 684 CB VAL A 44 -4.747 -13.039 13.182 1.00 0.00 C ATOM 685 CG1 VAL A 44 -5.385 -12.524 14.455 1.00 0.00 C ATOM 686 CG2 VAL A 44 -5.515 -14.225 12.619 1.00 0.00 C ATOM 0 H VAL A 44 -3.604 -13.439 11.076 1.00 0.00 H new ATOM 0 HA VAL A 44 -5.575 -11.563 11.830 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.745 -13.377 13.445 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.471 -13.339 15.174 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.767 -11.731 14.877 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -6.377 -12.131 14.232 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.609 -14.995 13.385 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.508 -13.901 12.307 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.980 -14.631 11.761 1.00 0.00 H new ATOM 696 N ILE A 45 -2.480 -10.992 12.864 1.00 0.00 N ATOM 697 CA ILE A 45 -1.625 -9.952 13.420 1.00 0.00 C ATOM 698 C ILE A 45 -1.724 -8.705 12.558 1.00 0.00 C ATOM 699 O ILE A 45 -1.696 -7.580 13.057 1.00 0.00 O ATOM 700 CB ILE A 45 -0.158 -10.415 13.525 1.00 0.00 C ATOM 701 CG1 ILE A 45 0.010 -11.369 14.706 1.00 0.00 C ATOM 702 CG2 ILE A 45 0.794 -9.233 13.658 1.00 0.00 C ATOM 703 CD1 ILE A 45 -0.010 -12.822 14.311 1.00 0.00 C ATOM 0 H ILE A 45 -1.994 -11.849 12.598 1.00 0.00 H new ATOM 0 HA ILE A 45 -1.968 -9.730 14.430 1.00 0.00 H new ATOM 0 HB ILE A 45 0.094 -10.940 12.604 1.00 0.00 H new ATOM 0 HG12 ILE A 45 0.952 -11.150 15.209 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -0.786 -11.186 15.427 1.00 0.00 H new ATOM 0 HG21 ILE A 45 1.819 -9.597 13.730 1.00 0.00 H new ATOM 0 HG22 ILE A 45 0.698 -8.589 12.784 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.547 -8.666 14.556 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.114 -13.442 15.199 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.962 -13.057 13.835 1.00 0.00 H new ATOM 0 HD13 ILE A 45 0.803 -13.021 13.613 1.00 0.00 H new ATOM 715 N PHE A 46 -1.880 -8.924 11.261 1.00 0.00 N ATOM 716 CA PHE A 46 -2.031 -7.832 10.324 1.00 0.00 C ATOM 717 C PHE A 46 -3.461 -7.323 10.372 1.00 0.00 C ATOM 718 O PHE A 46 -3.707 -6.120 10.373 1.00 0.00 O ATOM 719 CB PHE A 46 -1.714 -8.286 8.901 1.00 0.00 C ATOM 720 CG PHE A 46 -0.400 -8.996 8.748 1.00 0.00 C ATOM 721 CD1 PHE A 46 0.741 -8.294 8.397 1.00 0.00 C ATOM 722 CD2 PHE A 46 -0.309 -10.364 8.933 1.00 0.00 C ATOM 723 CE1 PHE A 46 1.948 -8.945 8.234 1.00 0.00 C ATOM 724 CE2 PHE A 46 0.893 -11.021 8.774 1.00 0.00 C ATOM 725 CZ PHE A 46 2.024 -10.311 8.423 1.00 0.00 C ATOM 0 H PHE A 46 -1.905 -9.852 10.837 1.00 0.00 H new ATOM 0 HA PHE A 46 -1.336 -7.040 10.603 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -2.511 -8.947 8.559 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -1.719 -7.415 8.246 1.00 0.00 H new ATOM 0 HD1 PHE A 46 0.686 -7.226 8.249 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.191 -10.925 9.206 1.00 0.00 H new ATOM 0 HE1 PHE A 46 2.831 -8.387 7.959 1.00 0.00 H new ATOM 0 HE2 PHE A 46 0.950 -12.089 8.924 1.00 0.00 H new ATOM 0 HZ PHE A 46 2.966 -10.823 8.296 1.00 0.00 H new ATOM 735 N HIS A 47 -4.407 -8.262 10.419 1.00 0.00 N ATOM 736 CA HIS A 47 -5.820 -7.913 10.463 1.00 0.00 C ATOM 737 C HIS A 47 -6.145 -7.149 11.739 1.00 0.00 C ATOM 738 O HIS A 47 -7.029 -6.300 11.751 1.00 0.00 O ATOM 739 CB HIS A 47 -6.689 -9.180 10.326 1.00 0.00 C ATOM 740 CG HIS A 47 -7.733 -9.347 11.390 1.00 0.00 C ATOM 741 ND1 HIS A 47 -7.623 -9.367 12.736 1.00 0.00 N flip ATOM 742 CD2 HIS A 47 -9.071 -9.535 11.116 1.00 0.00 C flip ATOM 743 CE1 HIS A 47 -8.881 -9.563 13.248 1.00 0.00 C flip ATOM 744 NE2 HIS A 47 -9.738 -9.661 12.248 1.00 0.00 N flip ATOM 0 H HIS A 47 -4.218 -9.264 10.427 1.00 0.00 H new ATOM 0 HA HIS A 47 -6.046 -7.258 9.621 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -7.181 -9.162 9.354 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -6.037 -10.053 10.337 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -9.506 -9.573 10.128 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -9.130 -9.627 14.297 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -10.743 -9.809 12.335 1.00 0.00 H new ATOM 753 N ASN A 48 -5.412 -7.440 12.808 1.00 0.00 N ATOM 754 CA ASN A 48 -5.624 -6.761 14.075 1.00 0.00 C ATOM 755 C ASN A 48 -4.757 -5.515 14.133 1.00 0.00 C ATOM 756 O ASN A 48 -5.099 -4.539 14.792 1.00 0.00 O ATOM 757 CB ASN A 48 -5.354 -7.691 15.266 1.00 0.00 C ATOM 758 CG ASN A 48 -3.885 -8.035 15.454 1.00 0.00 C ATOM 759 OD1 ASN A 48 -2.997 -7.252 15.120 1.00 0.00 O ATOM 760 ND2 ASN A 48 -3.625 -9.215 16.006 1.00 0.00 N ATOM 0 H ASN A 48 -4.669 -8.139 12.820 1.00 0.00 H new ATOM 0 HA ASN A 48 -6.671 -6.464 14.143 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -5.727 -7.219 16.175 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -5.919 -8.613 15.131 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -2.659 -9.501 16.167 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -4.391 -9.835 16.269 1.00 0.00 H new ATOM 767 N LEU A 49 -3.654 -5.544 13.389 1.00 0.00 N ATOM 768 CA LEU A 49 -2.772 -4.395 13.305 1.00 0.00 C ATOM 769 C LEU A 49 -3.557 -3.286 12.641 1.00 0.00 C ATOM 770 O LEU A 49 -3.839 -2.245 13.226 1.00 0.00 O ATOM 771 CB LEU A 49 -1.543 -4.737 12.459 1.00 0.00 C ATOM 772 CG LEU A 49 -0.257 -4.976 13.239 1.00 0.00 C ATOM 773 CD1 LEU A 49 0.940 -4.911 12.305 1.00 0.00 C ATOM 774 CD2 LEU A 49 -0.124 -3.956 14.354 1.00 0.00 C ATOM 0 H LEU A 49 -3.355 -6.350 12.840 1.00 0.00 H new ATOM 0 HA LEU A 49 -2.428 -4.096 14.295 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.763 -5.629 11.873 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.373 -3.925 11.752 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.292 -5.970 13.685 1.00 0.00 H new ATOM 0 HD11 LEU A 49 1.854 -5.083 12.873 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.842 -5.676 11.534 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.983 -3.928 11.837 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.799 -4.137 14.905 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.102 -2.953 13.929 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.974 -4.044 15.031 1.00 0.00 H new ATOM 786 N ILE A 50 -3.955 -3.584 11.416 1.00 0.00 N ATOM 787 CA ILE A 50 -4.781 -2.692 10.618 1.00 0.00 C ATOM 788 C ILE A 50 -5.977 -2.231 11.444 1.00 0.00 C ATOM 789 O ILE A 50 -6.159 -1.048 11.726 1.00 0.00 O ATOM 790 CB ILE A 50 -5.340 -3.435 9.384 1.00 0.00 C ATOM 791 CG1 ILE A 50 -4.238 -4.116 8.588 1.00 0.00 C ATOM 792 CG2 ILE A 50 -6.152 -2.508 8.494 1.00 0.00 C ATOM 793 CD1 ILE A 50 -4.684 -5.446 8.023 1.00 0.00 C ATOM 0 H ILE A 50 -3.713 -4.455 10.944 1.00 0.00 H new ATOM 0 HA ILE A 50 -4.165 -1.848 10.307 1.00 0.00 H new ATOM 0 HB ILE A 50 -6.007 -4.211 9.759 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -3.923 -3.464 7.773 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -3.369 -4.268 9.229 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -6.529 -3.065 7.636 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -6.990 -2.102 9.060 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -5.520 -1.691 8.146 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -3.865 -5.896 7.462 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -4.973 -6.109 8.838 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.536 -5.293 7.361 1.00 0.00 H new ATOM 805 N MET A 51 -6.789 -3.215 11.807 1.00 0.00 N ATOM 806 CA MET A 51 -8.000 -3.021 12.583 1.00 0.00 C ATOM 807 C MET A 51 -7.774 -2.203 13.859 1.00 0.00 C ATOM 808 O MET A 51 -8.590 -1.350 14.207 1.00 0.00 O ATOM 809 CB MET A 51 -8.564 -4.401 12.933 1.00 0.00 C ATOM 810 CG MET A 51 -10.033 -4.385 13.334 1.00 0.00 C ATOM 811 SD MET A 51 -11.015 -5.613 12.447 1.00 0.00 S ATOM 812 CE MET A 51 -10.266 -5.551 10.820 1.00 0.00 C ATOM 0 H MET A 51 -6.618 -4.191 11.563 1.00 0.00 H new ATOM 0 HA MET A 51 -8.703 -2.447 11.980 1.00 0.00 H new ATOM 0 HB2 MET A 51 -8.439 -5.062 12.075 1.00 0.00 H new ATOM 0 HB3 MET A 51 -7.979 -4.825 13.750 1.00 0.00 H new ATOM 0 HG2 MET A 51 -10.114 -4.567 14.406 1.00 0.00 H new ATOM 0 HG3 MET A 51 -10.445 -3.393 13.147 1.00 0.00 H new ATOM 0 HE1 MET A 51 -11.009 -5.813 10.067 1.00 0.00 H new ATOM 0 HE2 MET A 51 -9.894 -4.544 10.629 1.00 0.00 H new ATOM 0 HE3 MET A 51 -9.438 -6.258 10.773 1.00 0.00 H new ATOM 822 N ASP A 52 -6.691 -2.492 14.571 1.00 0.00 N ATOM 823 CA ASP A 52 -6.395 -1.801 15.829 1.00 0.00 C ATOM 824 C ASP A 52 -5.530 -0.549 15.650 1.00 0.00 C ATOM 825 O ASP A 52 -5.419 0.260 16.572 1.00 0.00 O ATOM 826 CB ASP A 52 -5.706 -2.760 16.802 1.00 0.00 C ATOM 827 CG ASP A 52 -6.526 -4.011 17.058 1.00 0.00 C ATOM 828 OD1 ASP A 52 -5.935 -5.111 17.083 1.00 0.00 O ATOM 829 OD2 ASP A 52 -7.755 -3.890 17.235 1.00 0.00 O ATOM 0 H ASP A 52 -6.003 -3.196 14.304 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.353 -1.470 16.229 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -4.732 -3.042 16.401 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -5.525 -2.247 17.747 1.00 0.00 H new ATOM 834 N MET A 53 -4.899 -0.394 14.493 1.00 0.00 N ATOM 835 CA MET A 53 -4.033 0.762 14.259 1.00 0.00 C ATOM 836 C MET A 53 -4.452 1.556 13.024 1.00 0.00 C ATOM 837 O MET A 53 -4.944 2.677 13.131 1.00 0.00 O ATOM 838 CB MET A 53 -2.582 0.305 14.105 1.00 0.00 C ATOM 839 CG MET A 53 -1.983 -0.257 15.384 1.00 0.00 C ATOM 840 SD MET A 53 -1.778 0.999 16.664 1.00 0.00 S ATOM 841 CE MET A 53 -0.273 1.800 16.114 1.00 0.00 C ATOM 0 H MET A 53 -4.967 -1.043 13.709 1.00 0.00 H new ATOM 0 HA MET A 53 -4.128 1.418 15.124 1.00 0.00 H new ATOM 0 HB2 MET A 53 -2.530 -0.454 13.325 1.00 0.00 H new ATOM 0 HB3 MET A 53 -1.978 1.148 13.770 1.00 0.00 H new ATOM 0 HG2 MET A 53 -2.624 -1.054 15.761 1.00 0.00 H new ATOM 0 HG3 MET A 53 -1.015 -0.705 15.161 1.00 0.00 H new ATOM 0 HE1 MET A 53 -0.024 2.614 16.795 1.00 0.00 H new ATOM 0 HE2 MET A 53 0.541 1.075 16.102 1.00 0.00 H new ATOM 0 HE3 MET A 53 -0.419 2.199 15.110 1.00 0.00 H new ATOM 851 N VAL A 54 -4.236 0.969 11.854 1.00 0.00 N ATOM 852 CA VAL A 54 -4.576 1.620 10.594 1.00 0.00 C ATOM 853 C VAL A 54 -6.014 2.127 10.586 1.00 0.00 C ATOM 854 O VAL A 54 -6.273 3.279 10.245 1.00 0.00 O ATOM 855 CB VAL A 54 -4.373 0.656 9.412 1.00 0.00 C ATOM 856 CG1 VAL A 54 -4.753 1.321 8.098 1.00 0.00 C ATOM 857 CG2 VAL A 54 -2.934 0.159 9.370 1.00 0.00 C ATOM 0 H VAL A 54 -3.826 0.041 11.751 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.908 2.475 10.489 1.00 0.00 H new ATOM 0 HB VAL A 54 -5.029 -0.203 9.556 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.601 0.619 7.278 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -5.801 1.619 8.131 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -4.130 2.202 7.942 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.809 -0.522 8.528 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.259 1.007 9.255 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.703 -0.365 10.297 1.00 0.00 H new ATOM 867 N LEU A 55 -6.942 1.257 10.954 1.00 0.00 N ATOM 868 CA LEU A 55 -8.357 1.604 10.976 1.00 0.00 C ATOM 869 C LEU A 55 -8.633 2.823 11.847 1.00 0.00 C ATOM 870 O LEU A 55 -9.162 3.826 11.368 1.00 0.00 O ATOM 871 CB LEU A 55 -9.178 0.413 11.448 1.00 0.00 C ATOM 872 CG LEU A 55 -9.598 -0.536 10.330 1.00 0.00 C ATOM 873 CD1 LEU A 55 -10.759 0.046 9.547 1.00 0.00 C ATOM 874 CD2 LEU A 55 -8.432 -0.824 9.400 1.00 0.00 C ATOM 0 H LEU A 55 -6.740 0.300 11.243 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.651 1.863 9.959 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.600 -0.144 12.185 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -10.071 0.779 11.954 1.00 0.00 H new ATOM 0 HG LEU A 55 -9.917 -1.474 10.785 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -11.045 -0.644 8.754 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -11.606 0.203 10.215 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -10.461 0.999 9.109 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.755 -1.503 8.611 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -8.082 0.108 8.956 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.621 -1.284 9.965 1.00 0.00 H new ATOM 886 N PRO A 56 -8.286 2.763 13.144 1.00 0.00 N ATOM 887 CA PRO A 56 -8.511 3.879 14.067 1.00 0.00 C ATOM 888 C PRO A 56 -7.741 5.145 13.679 1.00 0.00 C ATOM 889 O PRO A 56 -7.774 6.136 14.407 1.00 0.00 O ATOM 890 CB PRO A 56 -8.022 3.346 15.418 1.00 0.00 C ATOM 891 CG PRO A 56 -7.128 2.202 15.088 1.00 0.00 C ATOM 892 CD PRO A 56 -7.660 1.611 13.813 1.00 0.00 C ATOM 0 HA PRO A 56 -9.558 4.183 14.069 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -7.487 4.116 15.974 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -8.858 3.026 16.040 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -6.098 2.536 14.963 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -7.128 1.463 15.890 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -6.864 1.177 13.207 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -8.381 0.817 14.007 1.00 0.00 H new ATOM 900 N LYS A 57 -7.057 5.121 12.533 1.00 0.00 N ATOM 901 CA LYS A 57 -6.304 6.283 12.078 1.00 0.00 C ATOM 902 C LYS A 57 -6.187 6.271 10.562 1.00 0.00 C ATOM 903 O LYS A 57 -5.237 6.809 9.993 1.00 0.00 O ATOM 904 CB LYS A 57 -4.914 6.308 12.716 1.00 0.00 C ATOM 905 CG LYS A 57 -4.511 7.676 13.246 1.00 0.00 C ATOM 906 CD LYS A 57 -5.196 7.992 14.567 1.00 0.00 C ATOM 907 CE LYS A 57 -6.023 9.265 14.477 1.00 0.00 C ATOM 908 NZ LYS A 57 -7.286 9.055 13.716 1.00 0.00 N ATOM 0 H LYS A 57 -7.011 4.315 11.910 1.00 0.00 H new ATOM 0 HA LYS A 57 -6.839 7.182 12.383 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.886 5.588 13.534 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -4.180 5.982 11.979 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -3.430 7.710 13.379 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -4.766 8.440 12.512 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -5.839 7.159 14.853 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -4.446 8.099 15.350 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -6.259 9.616 15.482 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -5.435 10.047 13.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -8.004 9.735 14.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -7.108 9.197 12.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -7.630 8.086 13.875 1.00 0.00 H new ATOM 922 N VAL A 58 -7.160 5.642 9.915 1.00 0.00 N ATOM 923 CA VAL A 58 -7.180 5.542 8.468 1.00 0.00 C ATOM 924 C VAL A 58 -7.751 6.804 7.838 1.00 0.00 C ATOM 925 O VAL A 58 -8.587 7.486 8.430 1.00 0.00 O ATOM 926 CB VAL A 58 -8.007 4.323 8.014 1.00 0.00 C ATOM 927 CG1 VAL A 58 -9.485 4.536 8.304 1.00 0.00 C ATOM 928 CG2 VAL A 58 -7.787 4.035 6.539 1.00 0.00 C ATOM 0 H VAL A 58 -7.950 5.191 10.377 1.00 0.00 H new ATOM 0 HA VAL A 58 -6.149 5.419 8.136 1.00 0.00 H new ATOM 0 HB VAL A 58 -7.668 3.457 8.582 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -10.050 3.663 7.975 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -9.629 4.679 9.375 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -9.837 5.418 7.770 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -8.382 3.170 6.244 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -8.089 4.901 5.950 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -6.732 3.827 6.362 1.00 0.00 H new ATOM 938 N VAL A 59 -7.296 7.101 6.633 1.00 0.00 N ATOM 939 CA VAL A 59 -7.756 8.275 5.911 1.00 0.00 C ATOM 940 C VAL A 59 -8.847 7.895 4.921 1.00 0.00 C ATOM 941 O VAL A 59 -8.741 6.877 4.237 1.00 0.00 O ATOM 942 CB VAL A 59 -6.605 8.941 5.132 1.00 0.00 C ATOM 943 CG1 VAL A 59 -7.010 10.322 4.646 1.00 0.00 C ATOM 944 CG2 VAL A 59 -5.346 9.015 5.982 1.00 0.00 C ATOM 0 H VAL A 59 -6.605 6.542 6.132 1.00 0.00 H new ATOM 0 HA VAL A 59 -8.144 8.976 6.650 1.00 0.00 H new ATOM 0 HB VAL A 59 -6.387 8.325 4.260 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -6.182 10.773 4.099 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -7.875 10.237 3.989 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -7.264 10.949 5.501 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -4.548 9.489 5.410 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -5.547 9.601 6.879 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -5.040 8.008 6.267 1.00 0.00 H new ATOM 1052 N VAL A 66 -3.824 5.209 -1.054 1.00 0.00 N ATOM 1053 CA VAL A 66 -2.874 4.226 -0.530 1.00 0.00 C ATOM 1054 C VAL A 66 -1.795 4.913 0.303 1.00 0.00 C ATOM 1055 O VAL A 66 -0.645 5.023 -0.123 1.00 0.00 O ATOM 1056 CB VAL A 66 -2.198 3.445 -1.670 1.00 0.00 C ATOM 1057 CG1 VAL A 66 -1.535 2.181 -1.145 1.00 0.00 C ATOM 1058 CG2 VAL A 66 -3.204 3.122 -2.764 1.00 0.00 C ATOM 0 HA VAL A 66 -3.436 3.532 0.095 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.418 4.073 -2.100 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.064 1.647 -1.971 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -0.778 2.447 -0.407 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.286 1.542 -0.681 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -2.709 2.569 -3.562 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.010 2.517 -2.350 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.615 4.048 -3.165 1.00 0.00 H new ATOM 1068 N THR A 67 -2.172 5.386 1.485 1.00 0.00 N ATOM 1069 CA THR A 67 -1.234 6.074 2.365 1.00 0.00 C ATOM 1070 C THR A 67 -0.667 5.134 3.421 1.00 0.00 C ATOM 1071 O THR A 67 -1.390 4.322 4.001 1.00 0.00 O ATOM 1072 CB THR A 67 -1.917 7.263 3.035 1.00 0.00 C ATOM 1073 OG1 THR A 67 -2.314 8.223 2.070 1.00 0.00 O ATOM 1074 CG2 THR A 67 -1.043 7.968 4.052 1.00 0.00 C ATOM 0 H THR A 67 -3.119 5.306 1.856 1.00 0.00 H new ATOM 0 HA THR A 67 -0.405 6.431 1.754 1.00 0.00 H new ATOM 0 HB THR A 67 -2.778 6.843 3.554 1.00 0.00 H new ATOM 0 HG1 THR A 67 -2.751 8.976 2.519 1.00 0.00 H new ATOM 0 HG21 THR A 67 -1.593 8.802 4.488 1.00 0.00 H new ATOM 0 HG22 THR A 67 -0.763 7.268 4.839 1.00 0.00 H new ATOM 0 HG23 THR A 67 -0.144 8.342 3.562 1.00 0.00 H new ATOM 1082 N LYS A 68 0.632 5.258 3.675 1.00 0.00 N ATOM 1083 CA LYS A 68 1.299 4.430 4.670 1.00 0.00 C ATOM 1084 C LYS A 68 1.093 5.010 6.064 1.00 0.00 C ATOM 1085 O LYS A 68 1.271 6.208 6.280 1.00 0.00 O ATOM 1086 CB LYS A 68 2.794 4.319 4.362 1.00 0.00 C ATOM 1087 CG LYS A 68 3.357 2.923 4.575 1.00 0.00 C ATOM 1088 CD LYS A 68 4.840 2.863 4.248 1.00 0.00 C ATOM 1089 CE LYS A 68 5.692 3.222 5.457 1.00 0.00 C ATOM 1090 NZ LYS A 68 5.922 4.689 5.558 1.00 0.00 N ATOM 0 H LYS A 68 1.243 5.925 3.204 1.00 0.00 H new ATOM 0 HA LYS A 68 0.862 3.432 4.636 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.967 4.617 3.328 1.00 0.00 H new ATOM 0 HB3 LYS A 68 3.339 5.022 4.992 1.00 0.00 H new ATOM 0 HG2 LYS A 68 3.199 2.620 5.610 1.00 0.00 H new ATOM 0 HG3 LYS A 68 2.817 2.213 3.949 1.00 0.00 H new ATOM 0 HD2 LYS A 68 5.098 1.861 3.904 1.00 0.00 H new ATOM 0 HD3 LYS A 68 5.061 3.548 3.429 1.00 0.00 H new ATOM 0 HE2 LYS A 68 5.202 2.868 6.364 1.00 0.00 H new ATOM 0 HE3 LYS A 68 6.651 2.708 5.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 6.848 4.866 5.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 5.904 5.109 4.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 5.175 5.118 6.140 1.00 0.00 H new ATOM 1104 N MET A 69 0.714 4.156 7.008 1.00 0.00 N ATOM 1105 CA MET A 69 0.480 4.592 8.378 1.00 0.00 C ATOM 1106 C MET A 69 1.693 5.336 8.931 1.00 0.00 C ATOM 1107 O MET A 69 1.560 6.222 9.775 1.00 0.00 O ATOM 1108 CB MET A 69 0.156 3.393 9.269 1.00 0.00 C ATOM 1109 CG MET A 69 -0.151 3.777 10.705 1.00 0.00 C ATOM 1110 SD MET A 69 -1.516 2.830 11.401 1.00 0.00 S ATOM 1111 CE MET A 69 -2.642 4.151 11.833 1.00 0.00 C ATOM 0 H MET A 69 0.563 3.160 6.849 1.00 0.00 H new ATOM 0 HA MET A 69 -0.370 5.274 8.373 1.00 0.00 H new ATOM 0 HB2 MET A 69 -0.699 2.860 8.852 1.00 0.00 H new ATOM 0 HB3 MET A 69 0.999 2.702 9.257 1.00 0.00 H new ATOM 0 HG2 MET A 69 0.739 3.626 11.315 1.00 0.00 H new ATOM 0 HG3 MET A 69 -0.391 4.839 10.749 1.00 0.00 H new ATOM 0 HE1 MET A 69 -3.069 3.958 12.817 1.00 0.00 H new ATOM 0 HE2 MET A 69 -2.102 5.098 11.851 1.00 0.00 H new ATOM 0 HE3 MET A 69 -3.442 4.203 11.095 1.00 0.00 H new ATOM 1121 N SER A 70 2.875 4.969 8.443 1.00 0.00 N ATOM 1122 CA SER A 70 4.115 5.598 8.881 1.00 0.00 C ATOM 1123 C SER A 70 4.274 5.509 10.395 1.00 0.00 C ATOM 1124 O SER A 70 4.919 6.357 11.015 1.00 0.00 O ATOM 1125 CB SER A 70 4.158 7.059 8.432 1.00 0.00 C ATOM 1126 OG SER A 70 5.375 7.353 7.767 1.00 0.00 O ATOM 0 H SER A 70 2.999 4.238 7.743 1.00 0.00 H new ATOM 0 HA SER A 70 4.944 5.060 8.421 1.00 0.00 H new ATOM 0 HB2 SER A 70 3.318 7.263 7.768 1.00 0.00 H new ATOM 0 HB3 SER A 70 4.046 7.712 9.297 1.00 0.00 H new ATOM 0 HG SER A 70 5.377 8.293 7.488 1.00 0.00 H new ATOM 1132 N MET A 71 3.684 4.476 10.984 1.00 0.00 N ATOM 1133 CA MET A 71 3.764 4.271 12.427 1.00 0.00 C ATOM 1134 C MET A 71 4.693 3.109 12.769 1.00 0.00 C ATOM 1135 O MET A 71 5.109 2.955 13.917 1.00 0.00 O ATOM 1136 CB MET A 71 2.373 4.003 13.003 1.00 0.00 C ATOM 1137 CG MET A 71 2.343 3.918 14.520 1.00 0.00 C ATOM 1138 SD MET A 71 2.633 5.513 15.311 1.00 0.00 S ATOM 1139 CE MET A 71 4.418 5.510 15.438 1.00 0.00 C ATOM 0 H MET A 71 3.145 3.767 10.486 1.00 0.00 H new ATOM 0 HA MET A 71 4.170 5.180 12.870 1.00 0.00 H new ATOM 0 HB2 MET A 71 1.697 4.795 12.679 1.00 0.00 H new ATOM 0 HB3 MET A 71 1.992 3.070 12.589 1.00 0.00 H new ATOM 0 HG2 MET A 71 1.376 3.529 14.839 1.00 0.00 H new ATOM 0 HG3 MET A 71 3.099 3.208 14.855 1.00 0.00 H new ATOM 0 HE1 MET A 71 4.730 6.227 16.198 1.00 0.00 H new ATOM 0 HE2 MET A 71 4.761 4.514 15.716 1.00 0.00 H new ATOM 0 HE3 MET A 71 4.852 5.788 14.477 1.00 0.00 H new ATOM 1149 N ASN A 72 5.011 2.289 11.770 1.00 0.00 N ATOM 1150 CA ASN A 72 5.884 1.140 11.976 1.00 0.00 C ATOM 1151 C ASN A 72 5.222 0.132 12.909 1.00 0.00 C ATOM 1152 O ASN A 72 5.748 -0.185 13.977 1.00 0.00 O ATOM 1153 CB ASN A 72 7.232 1.586 12.551 1.00 0.00 C ATOM 1154 CG ASN A 72 8.243 0.458 12.596 1.00 0.00 C ATOM 1155 OD1 ASN A 72 8.860 0.202 13.632 1.00 0.00 O ATOM 1156 ND2 ASN A 72 8.420 -0.225 11.471 1.00 0.00 N ATOM 0 H ASN A 72 4.677 2.400 10.813 1.00 0.00 H new ATOM 0 HA ASN A 72 6.059 0.663 11.012 1.00 0.00 H new ATOM 0 HB2 ASN A 72 7.629 2.402 11.947 1.00 0.00 H new ATOM 0 HB3 ASN A 72 7.083 1.977 13.557 1.00 0.00 H new ATOM 0 HD21 ASN A 72 9.088 -0.995 11.442 1.00 0.00 H new ATOM 0 HD22 ASN A 72 7.888 0.021 10.636 1.00 0.00 H new ATOM 1163 N LEU A 73 4.061 -0.366 12.497 1.00 0.00 N ATOM 1164 CA LEU A 73 3.320 -1.336 13.289 1.00 0.00 C ATOM 1165 C LEU A 73 4.124 -2.616 13.449 1.00 0.00 C ATOM 1166 O LEU A 73 4.246 -3.159 14.546 1.00 0.00 O ATOM 1167 CB LEU A 73 1.976 -1.632 12.630 1.00 0.00 C ATOM 1168 CG LEU A 73 0.942 -0.512 12.750 1.00 0.00 C ATOM 1169 CD1 LEU A 73 1.398 0.722 11.992 1.00 0.00 C ATOM 1170 CD2 LEU A 73 -0.408 -0.979 12.239 1.00 0.00 C ATOM 0 H LEU A 73 3.613 -0.112 11.616 1.00 0.00 H new ATOM 0 HA LEU A 73 3.141 -0.916 14.279 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.144 -1.841 11.573 1.00 0.00 H new ATOM 0 HB3 LEU A 73 1.562 -2.538 13.072 1.00 0.00 H new ATOM 0 HG LEU A 73 0.842 -0.250 13.803 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.648 1.507 12.090 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.345 1.072 12.402 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.528 0.474 10.939 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.132 -0.170 12.332 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.320 -1.269 11.192 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -0.743 -1.834 12.826 1.00 0.00 H new ATOM 1182 N ILE A 74 4.677 -3.085 12.340 1.00 0.00 N ATOM 1183 CA ILE A 74 5.482 -4.296 12.336 1.00 0.00 C ATOM 1184 C ILE A 74 6.748 -4.093 11.511 1.00 0.00 C ATOM 1185 O ILE A 74 6.786 -3.257 10.607 1.00 0.00 O ATOM 1186 CB ILE A 74 4.679 -5.498 11.785 1.00 0.00 C ATOM 1187 CG1 ILE A 74 4.205 -6.392 12.933 1.00 0.00 C ATOM 1188 CG2 ILE A 74 5.499 -6.309 10.785 1.00 0.00 C ATOM 1189 CD1 ILE A 74 3.595 -7.697 12.469 1.00 0.00 C ATOM 0 H ILE A 74 4.582 -2.642 11.426 1.00 0.00 H new ATOM 0 HA ILE A 74 5.761 -4.514 13.367 1.00 0.00 H new ATOM 0 HB ILE A 74 3.809 -5.104 11.259 1.00 0.00 H new ATOM 0 HG12 ILE A 74 5.049 -6.607 13.588 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.471 -5.848 13.528 1.00 0.00 H new ATOM 0 HG21 ILE A 74 4.903 -7.145 10.419 1.00 0.00 H new ATOM 0 HG22 ILE A 74 5.784 -5.673 9.947 1.00 0.00 H new ATOM 0 HG23 ILE A 74 6.396 -6.689 11.274 1.00 0.00 H new ATOM 0 HD11 ILE A 74 3.281 -8.280 13.335 1.00 0.00 H new ATOM 0 HD12 ILE A 74 2.730 -7.491 11.838 1.00 0.00 H new ATOM 0 HD13 ILE A 74 4.333 -8.262 11.899 1.00 0.00 H new ATOM 1201 N ASP A 75 7.776 -4.870 11.821 1.00 0.00 N ATOM 1202 CA ASP A 75 9.036 -4.784 11.101 1.00 0.00 C ATOM 1203 C ASP A 75 9.134 -5.892 10.064 1.00 0.00 C ATOM 1204 O ASP A 75 8.759 -7.035 10.320 1.00 0.00 O ATOM 1205 CB ASP A 75 10.213 -4.867 12.072 1.00 0.00 C ATOM 1206 CG ASP A 75 11.468 -4.225 11.518 1.00 0.00 C ATOM 1207 OD1 ASP A 75 11.623 -2.995 11.669 1.00 0.00 O ATOM 1208 OD2 ASP A 75 12.299 -4.953 10.933 1.00 0.00 O ATOM 0 H ASP A 75 7.761 -5.566 12.566 1.00 0.00 H new ATOM 0 HA ASP A 75 9.073 -3.823 10.589 1.00 0.00 H new ATOM 0 HB2 ASP A 75 9.942 -4.379 13.009 1.00 0.00 H new ATOM 0 HB3 ASP A 75 10.416 -5.913 12.304 1.00 0.00 H new ATOM 1213 N GLY A 76 9.640 -5.541 8.891 1.00 0.00 N ATOM 1214 CA GLY A 76 9.774 -6.510 7.823 1.00 0.00 C ATOM 1215 C GLY A 76 8.865 -6.210 6.650 1.00 0.00 C ATOM 1216 O GLY A 76 9.207 -6.499 5.503 1.00 0.00 O ATOM 0 H GLY A 76 9.961 -4.601 8.659 1.00 0.00 H new ATOM 0 HA2 GLY A 76 10.809 -6.528 7.481 1.00 0.00 H new ATOM 0 HA3 GLY A 76 9.548 -7.504 8.208 1.00 0.00 H new ATOM 1220 N PHE A 77 7.696 -5.634 6.933 1.00 0.00 N ATOM 1221 CA PHE A 77 6.740 -5.304 5.877 1.00 0.00 C ATOM 1222 C PHE A 77 6.478 -3.799 5.809 1.00 0.00 C ATOM 1223 O PHE A 77 7.190 -3.004 6.422 1.00 0.00 O ATOM 1224 CB PHE A 77 5.420 -6.050 6.096 1.00 0.00 C ATOM 1225 CG PHE A 77 5.572 -7.382 6.780 1.00 0.00 C ATOM 1226 CD1 PHE A 77 5.067 -7.576 8.052 1.00 0.00 C ATOM 1227 CD2 PHE A 77 6.218 -8.435 6.149 1.00 0.00 C ATOM 1228 CE1 PHE A 77 5.199 -8.797 8.688 1.00 0.00 C ATOM 1229 CE2 PHE A 77 6.353 -9.658 6.782 1.00 0.00 C ATOM 1230 CZ PHE A 77 5.843 -9.838 8.054 1.00 0.00 C ATOM 0 H PHE A 77 7.391 -5.389 7.875 1.00 0.00 H new ATOM 0 HA PHE A 77 7.178 -5.618 4.929 1.00 0.00 H new ATOM 0 HB2 PHE A 77 4.755 -5.423 6.690 1.00 0.00 H new ATOM 0 HB3 PHE A 77 4.937 -6.202 5.131 1.00 0.00 H new ATOM 0 HD1 PHE A 77 4.563 -6.764 8.555 1.00 0.00 H new ATOM 0 HD2 PHE A 77 6.619 -8.299 5.155 1.00 0.00 H new ATOM 0 HE1 PHE A 77 4.798 -8.935 9.681 1.00 0.00 H new ATOM 0 HE2 PHE A 77 6.857 -10.472 6.282 1.00 0.00 H new ATOM 0 HZ PHE A 77 5.949 -10.792 8.550 1.00 0.00 H new ATOM 1240 N ASP A 78 5.448 -3.420 5.054 1.00 0.00 N ATOM 1241 CA ASP A 78 5.071 -2.021 4.891 1.00 0.00 C ATOM 1242 C ASP A 78 3.554 -1.869 4.999 1.00 0.00 C ATOM 1243 O ASP A 78 2.806 -2.456 4.213 1.00 0.00 O ATOM 1244 CB ASP A 78 5.559 -1.492 3.540 1.00 0.00 C ATOM 1245 CG ASP A 78 6.539 -0.345 3.687 1.00 0.00 C ATOM 1246 OD1 ASP A 78 7.334 -0.119 2.752 1.00 0.00 O ATOM 1247 OD2 ASP A 78 6.511 0.329 4.740 1.00 0.00 O ATOM 0 H ASP A 78 4.855 -4.072 4.541 1.00 0.00 H new ATOM 0 HA ASP A 78 5.541 -1.439 5.684 1.00 0.00 H new ATOM 0 HB2 ASP A 78 6.033 -2.302 2.986 1.00 0.00 H new ATOM 0 HB3 ASP A 78 4.703 -1.161 2.952 1.00 0.00 H new ATOM 1252 N CYS A 79 3.108 -1.099 5.992 1.00 0.00 N ATOM 1253 CA CYS A 79 1.680 -0.891 6.228 1.00 0.00 C ATOM 1254 C CYS A 79 1.110 0.277 5.421 1.00 0.00 C ATOM 1255 O CYS A 79 1.371 1.441 5.723 1.00 0.00 O ATOM 1256 CB CYS A 79 1.427 -0.656 7.719 1.00 0.00 C ATOM 1257 SG CYS A 79 2.437 0.659 8.440 1.00 0.00 S ATOM 0 H CYS A 79 3.717 -0.608 6.647 1.00 0.00 H new ATOM 0 HA CYS A 79 1.169 -1.794 5.895 1.00 0.00 H new ATOM 0 HB2 CYS A 79 0.375 -0.412 7.864 1.00 0.00 H new ATOM 0 HB3 CYS A 79 1.617 -1.583 8.260 1.00 0.00 H new ATOM 0 HG CYS A 79 2.470 1.675 7.630 1.00 0.00 H new ATOM 1263 N PHE A 80 0.309 -0.051 4.413 1.00 0.00 N ATOM 1264 CA PHE A 80 -0.336 0.955 3.569 1.00 0.00 C ATOM 1265 C PHE A 80 -1.854 0.786 3.626 1.00 0.00 C ATOM 1266 O PHE A 80 -2.343 -0.323 3.829 1.00 0.00 O ATOM 1267 CB PHE A 80 0.143 0.824 2.121 1.00 0.00 C ATOM 1268 CG PHE A 80 1.504 1.410 1.875 1.00 0.00 C ATOM 1269 CD1 PHE A 80 1.645 2.729 1.479 1.00 0.00 C ATOM 1270 CD2 PHE A 80 2.643 0.636 2.032 1.00 0.00 C ATOM 1271 CE1 PHE A 80 2.895 3.268 1.246 1.00 0.00 C ATOM 1272 CE2 PHE A 80 3.896 1.170 1.803 1.00 0.00 C ATOM 1273 CZ PHE A 80 4.022 2.488 1.408 1.00 0.00 C ATOM 0 H PHE A 80 0.088 -1.013 4.157 1.00 0.00 H new ATOM 0 HA PHE A 80 -0.068 1.944 3.940 1.00 0.00 H new ATOM 0 HB2 PHE A 80 0.158 -0.231 1.847 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -0.577 1.314 1.465 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.767 3.344 1.351 1.00 0.00 H new ATOM 0 HD2 PHE A 80 2.550 -0.396 2.337 1.00 0.00 H new ATOM 0 HE1 PHE A 80 2.990 4.299 0.937 1.00 0.00 H new ATOM 0 HE2 PHE A 80 4.776 0.558 1.933 1.00 0.00 H new ATOM 0 HZ PHE A 80 5.001 2.907 1.226 1.00 0.00 H new ATOM 1283 N TYR A 81 -2.598 1.877 3.444 1.00 0.00 N ATOM 1284 CA TYR A 81 -4.058 1.802 3.477 1.00 0.00 C ATOM 1285 C TYR A 81 -4.702 2.764 2.482 1.00 0.00 C ATOM 1286 O TYR A 81 -4.254 3.897 2.313 1.00 0.00 O ATOM 1287 CB TYR A 81 -4.593 2.059 4.891 1.00 0.00 C ATOM 1288 CG TYR A 81 -4.186 3.386 5.497 1.00 0.00 C ATOM 1289 CD1 TYR A 81 -4.723 4.584 5.039 1.00 0.00 C ATOM 1290 CD2 TYR A 81 -3.272 3.437 6.544 1.00 0.00 C ATOM 1291 CE1 TYR A 81 -4.358 5.790 5.603 1.00 0.00 C ATOM 1292 CE2 TYR A 81 -2.903 4.640 7.113 1.00 0.00 C ATOM 1293 CZ TYR A 81 -3.448 5.813 6.640 1.00 0.00 C ATOM 1294 OH TYR A 81 -3.085 7.015 7.205 1.00 0.00 O ATOM 0 H TYR A 81 -2.221 2.810 3.275 1.00 0.00 H new ATOM 0 HA TYR A 81 -4.330 0.789 3.181 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -5.681 2.006 4.867 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -4.249 1.257 5.545 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -5.437 4.571 4.229 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -2.843 2.519 6.919 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -4.783 6.712 5.234 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -2.191 4.661 7.925 1.00 0.00 H new ATOM 0 HH TYR A 81 -2.437 6.857 7.923 1.00 0.00 H new ATOM 1304 N SER A 82 -5.758 2.286 1.825 1.00 0.00 N ATOM 1305 CA SER A 82 -6.485 3.077 0.837 1.00 0.00 C ATOM 1306 C SER A 82 -7.985 2.801 0.927 1.00 0.00 C ATOM 1307 O SER A 82 -8.415 1.653 0.818 1.00 0.00 O ATOM 1308 CB SER A 82 -5.992 2.754 -0.577 1.00 0.00 C ATOM 1309 OG SER A 82 -5.029 1.715 -0.563 1.00 0.00 O ATOM 0 H SER A 82 -6.130 1.346 1.962 1.00 0.00 H new ATOM 0 HA SER A 82 -6.302 4.131 1.048 1.00 0.00 H new ATOM 0 HB2 SER A 82 -6.837 2.461 -1.201 1.00 0.00 H new ATOM 0 HB3 SER A 82 -5.559 3.648 -1.026 1.00 0.00 H new ATOM 0 HG SER A 82 -4.329 1.927 0.089 1.00 0.00 H new ATOM 1315 N THR A 83 -8.784 3.849 1.114 1.00 0.00 N ATOM 1316 CA THR A 83 -10.231 3.683 1.198 1.00 0.00 C ATOM 1317 C THR A 83 -10.861 3.797 -0.184 1.00 0.00 C ATOM 1318 O THR A 83 -10.318 4.460 -1.069 1.00 0.00 O ATOM 1319 CB THR A 83 -10.852 4.720 2.138 1.00 0.00 C ATOM 1320 OG1 THR A 83 -10.496 6.033 1.746 1.00 0.00 O ATOM 1321 CG2 THR A 83 -10.444 4.547 3.584 1.00 0.00 C ATOM 0 H THR A 83 -8.458 4.811 1.209 1.00 0.00 H new ATOM 0 HA THR A 83 -10.429 2.690 1.601 1.00 0.00 H new ATOM 0 HB THR A 83 -11.928 4.562 2.062 1.00 0.00 H new ATOM 0 HG1 THR A 83 -9.921 6.434 2.431 1.00 0.00 H new ATOM 0 HG21 THR A 83 -10.922 5.316 4.191 1.00 0.00 H new ATOM 0 HG22 THR A 83 -10.755 3.563 3.934 1.00 0.00 H new ATOM 0 HG23 THR A 83 -9.361 4.637 3.670 1.00 0.00 H new ATOM 1329 N ASP A 84 -12.007 3.145 -0.368 1.00 0.00 N ATOM 1330 CA ASP A 84 -12.707 3.179 -1.651 1.00 0.00 C ATOM 1331 C ASP A 84 -12.801 4.604 -2.190 1.00 0.00 C ATOM 1332 O ASP A 84 -12.619 5.571 -1.452 1.00 0.00 O ATOM 1333 CB ASP A 84 -14.105 2.577 -1.508 1.00 0.00 C ATOM 1334 CG ASP A 84 -14.784 2.377 -2.848 1.00 0.00 C ATOM 1335 OD1 ASP A 84 -15.507 3.292 -3.291 1.00 0.00 O ATOM 1336 OD2 ASP A 84 -14.594 1.301 -3.456 1.00 0.00 O ATOM 0 H ASP A 84 -12.469 2.589 0.351 1.00 0.00 H new ATOM 0 HA ASP A 84 -12.134 2.584 -2.363 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -14.035 1.619 -0.992 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -14.718 3.230 -0.886 1.00 0.00 H new ATOM 1341 N ASP A 85 -13.078 4.723 -3.484 1.00 0.00 N ATOM 1342 CA ASP A 85 -13.183 6.028 -4.128 1.00 0.00 C ATOM 1343 C ASP A 85 -14.441 6.775 -3.688 1.00 0.00 C ATOM 1344 O ASP A 85 -14.503 8.001 -3.779 1.00 0.00 O ATOM 1345 CB ASP A 85 -13.182 5.868 -5.649 1.00 0.00 C ATOM 1346 CG ASP A 85 -14.208 4.858 -6.124 1.00 0.00 C ATOM 1347 OD1 ASP A 85 -14.127 3.684 -5.702 1.00 0.00 O ATOM 1348 OD2 ASP A 85 -15.093 5.239 -6.919 1.00 0.00 O ATOM 0 H ASP A 85 -13.234 3.931 -4.108 1.00 0.00 H new ATOM 0 HA ASP A 85 -12.318 6.616 -3.822 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -13.384 6.833 -6.113 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -12.191 5.557 -5.978 1.00 0.00 H new ATOM 1353 N HIS A 86 -15.442 6.036 -3.220 1.00 0.00 N ATOM 1354 CA HIS A 86 -16.692 6.649 -2.781 1.00 0.00 C ATOM 1355 C HIS A 86 -17.426 5.770 -1.768 1.00 0.00 C ATOM 1356 O HIS A 86 -18.639 5.885 -1.603 1.00 0.00 O ATOM 1357 CB HIS A 86 -17.598 6.914 -3.984 1.00 0.00 C ATOM 1358 CG HIS A 86 -18.041 5.665 -4.681 1.00 0.00 C ATOM 1359 ND1 HIS A 86 -17.616 4.407 -4.311 1.00 0.00 N ATOM 1360 CD2 HIS A 86 -18.877 5.484 -5.731 1.00 0.00 C ATOM 1361 CE1 HIS A 86 -18.171 3.506 -5.101 1.00 0.00 C ATOM 1362 NE2 HIS A 86 -18.941 4.133 -5.971 1.00 0.00 N ATOM 0 H HIS A 86 -15.414 5.020 -3.135 1.00 0.00 H new ATOM 0 HA HIS A 86 -16.444 7.592 -2.293 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -18.477 7.468 -3.653 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -17.070 7.550 -4.694 1.00 0.00 H new ATOM 0 HD1 HIS A 86 -16.973 4.204 -3.546 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -19.396 6.257 -6.278 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -18.021 2.438 -5.045 1.00 0.00 H new ATOM 1371 N ASP A 87 -16.689 4.892 -1.096 1.00 0.00 N ATOM 1372 CA ASP A 87 -17.282 4.004 -0.109 1.00 0.00 C ATOM 1373 C ASP A 87 -16.371 3.862 1.108 1.00 0.00 C ATOM 1374 O ASP A 87 -15.504 2.987 1.145 1.00 0.00 O ATOM 1375 CB ASP A 87 -17.551 2.629 -0.723 1.00 0.00 C ATOM 1376 CG ASP A 87 -18.987 2.477 -1.192 1.00 0.00 C ATOM 1377 OD1 ASP A 87 -19.901 2.603 -0.351 1.00 0.00 O ATOM 1378 OD2 ASP A 87 -19.195 2.236 -2.399 1.00 0.00 O ATOM 0 H ASP A 87 -15.683 4.778 -1.218 1.00 0.00 H new ATOM 0 HA ASP A 87 -18.228 4.439 0.214 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -16.878 2.472 -1.566 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -17.328 1.856 0.012 1.00 0.00 H new ATOM 1383 N PRO A 88 -16.560 4.715 2.129 1.00 0.00 N ATOM 1384 CA PRO A 88 -15.751 4.669 3.350 1.00 0.00 C ATOM 1385 C PRO A 88 -15.920 3.350 4.100 1.00 0.00 C ATOM 1386 O PRO A 88 -15.125 3.018 4.978 1.00 0.00 O ATOM 1387 CB PRO A 88 -16.281 5.839 4.182 1.00 0.00 C ATOM 1388 CG PRO A 88 -17.642 6.113 3.641 1.00 0.00 C ATOM 1389 CD PRO A 88 -17.575 5.781 2.180 1.00 0.00 C ATOM 0 HA PRO A 88 -14.684 4.741 3.137 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -16.321 5.584 5.241 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -15.636 6.713 4.089 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -18.393 5.506 4.146 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -17.921 7.156 3.793 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -18.538 5.440 1.799 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -17.283 6.645 1.583 1.00 0.00 H new ATOM 1397 N LYS A 89 -16.951 2.589 3.731 1.00 0.00 N ATOM 1398 CA LYS A 89 -17.210 1.297 4.349 1.00 0.00 C ATOM 1399 C LYS A 89 -16.549 0.184 3.541 1.00 0.00 C ATOM 1400 O LYS A 89 -17.025 -0.949 3.513 1.00 0.00 O ATOM 1401 CB LYS A 89 -18.716 1.049 4.455 1.00 0.00 C ATOM 1402 CG LYS A 89 -19.422 1.997 5.411 1.00 0.00 C ATOM 1403 CD LYS A 89 -19.944 3.229 4.689 1.00 0.00 C ATOM 1404 CE LYS A 89 -20.059 4.418 5.628 1.00 0.00 C ATOM 1405 NZ LYS A 89 -21.242 4.304 6.525 1.00 0.00 N ATOM 0 H LYS A 89 -17.619 2.849 3.005 1.00 0.00 H new ATOM 0 HA LYS A 89 -16.786 1.301 5.353 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -19.162 1.145 3.465 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -18.885 0.023 4.783 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -20.250 1.479 5.894 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -18.733 2.300 6.199 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -19.277 3.479 3.864 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -20.920 3.011 4.255 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -19.153 4.495 6.230 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -20.133 5.336 5.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -21.285 5.134 7.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -22.109 4.256 5.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -21.160 3.442 7.100 1.00 0.00 H new ATOM 1419 N THR A 90 -15.443 0.528 2.889 1.00 0.00 N ATOM 1420 CA THR A 90 -14.691 -0.417 2.077 1.00 0.00 C ATOM 1421 C THR A 90 -13.253 0.059 1.944 1.00 0.00 C ATOM 1422 O THR A 90 -12.820 0.520 0.885 1.00 0.00 O ATOM 1423 CB THR A 90 -15.342 -0.574 0.699 1.00 0.00 C ATOM 1424 OG1 THR A 90 -16.565 -1.282 0.802 1.00 0.00 O ATOM 1425 CG2 THR A 90 -14.476 -1.304 -0.307 1.00 0.00 C ATOM 0 H THR A 90 -15.045 1.467 2.910 1.00 0.00 H new ATOM 0 HA THR A 90 -14.696 -1.392 2.564 1.00 0.00 H new ATOM 0 HB THR A 90 -15.497 0.444 0.342 1.00 0.00 H new ATOM 0 HG1 THR A 90 -16.804 -1.386 1.747 1.00 0.00 H new ATOM 0 HG21 THR A 90 -15.004 -1.376 -1.258 1.00 0.00 H new ATOM 0 HG22 THR A 90 -13.544 -0.757 -0.450 1.00 0.00 H new ATOM 0 HG23 THR A 90 -14.255 -2.306 0.062 1.00 0.00 H new ATOM 1433 N VAL A 91 -12.527 -0.050 3.043 1.00 0.00 N ATOM 1434 CA VAL A 91 -11.137 0.365 3.101 1.00 0.00 C ATOM 1435 C VAL A 91 -10.225 -0.707 2.523 1.00 0.00 C ATOM 1436 O VAL A 91 -10.663 -1.812 2.205 1.00 0.00 O ATOM 1437 CB VAL A 91 -10.704 0.672 4.551 1.00 0.00 C ATOM 1438 CG1 VAL A 91 -9.707 1.823 4.580 1.00 0.00 C ATOM 1439 CG2 VAL A 91 -11.918 0.978 5.418 1.00 0.00 C ATOM 0 H VAL A 91 -12.885 -0.429 3.920 1.00 0.00 H new ATOM 0 HA VAL A 91 -11.048 1.273 2.505 1.00 0.00 H new ATOM 0 HB VAL A 91 -10.211 -0.210 4.959 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -9.414 2.024 5.610 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -8.825 1.555 3.997 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -10.167 2.714 4.153 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -11.593 1.192 6.436 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -12.444 1.844 5.015 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -12.587 0.118 5.424 1.00 0.00 H new ATOM 1449 N TYR A 92 -8.951 -0.368 2.399 1.00 0.00 N ATOM 1450 CA TYR A 92 -7.952 -1.286 1.867 1.00 0.00 C ATOM 1451 C TYR A 92 -6.642 -1.134 2.625 1.00 0.00 C ATOM 1452 O TYR A 92 -6.353 -0.068 3.168 1.00 0.00 O ATOM 1453 CB TYR A 92 -7.712 -1.020 0.376 1.00 0.00 C ATOM 1454 CG TYR A 92 -8.976 -0.917 -0.449 1.00 0.00 C ATOM 1455 CD1 TYR A 92 -9.176 0.153 -1.310 1.00 0.00 C ATOM 1456 CD2 TYR A 92 -9.963 -1.888 -0.368 1.00 0.00 C ATOM 1457 CE1 TYR A 92 -10.327 0.252 -2.070 1.00 0.00 C ATOM 1458 CE2 TYR A 92 -11.117 -1.796 -1.124 1.00 0.00 C ATOM 1459 CZ TYR A 92 -11.294 -0.725 -1.973 1.00 0.00 C ATOM 1460 OH TYR A 92 -12.442 -0.629 -2.727 1.00 0.00 O ATOM 0 H TYR A 92 -8.581 0.545 2.662 1.00 0.00 H new ATOM 0 HA TYR A 92 -8.326 -2.303 1.990 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -7.147 -0.094 0.270 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -7.092 -1.820 -0.029 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -8.420 0.921 -1.388 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -9.828 -2.729 0.296 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -10.467 1.091 -2.736 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -11.876 -2.560 -1.049 1.00 0.00 H new ATOM 0 HH TYR A 92 -12.811 0.275 -2.647 1.00 0.00 H new ATOM 1470 N VAL A 93 -5.850 -2.199 2.664 1.00 0.00 N ATOM 1471 CA VAL A 93 -4.575 -2.164 3.362 1.00 0.00 C ATOM 1472 C VAL A 93 -3.591 -3.155 2.751 1.00 0.00 C ATOM 1473 O VAL A 93 -3.864 -4.353 2.679 1.00 0.00 O ATOM 1474 CB VAL A 93 -4.766 -2.445 4.870 1.00 0.00 C ATOM 1475 CG1 VAL A 93 -3.464 -2.860 5.548 1.00 0.00 C ATOM 1476 CG2 VAL A 93 -5.347 -1.218 5.547 1.00 0.00 C ATOM 0 H VAL A 93 -6.068 -3.092 2.222 1.00 0.00 H new ATOM 0 HA VAL A 93 -4.160 -1.162 3.251 1.00 0.00 H new ATOM 0 HB VAL A 93 -5.458 -3.282 4.969 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -3.648 -3.047 6.606 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -3.083 -3.768 5.080 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -2.729 -2.062 5.443 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -5.481 -1.418 6.610 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -4.667 -0.376 5.419 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -6.311 -0.977 5.099 1.00 0.00 H new ATOM 1486 N CYS A 94 -2.445 -2.643 2.307 1.00 0.00 N ATOM 1487 CA CYS A 94 -1.425 -3.483 1.699 1.00 0.00 C ATOM 1488 C CYS A 94 -0.173 -3.570 2.564 1.00 0.00 C ATOM 1489 O CYS A 94 0.550 -2.588 2.745 1.00 0.00 O ATOM 1490 CB CYS A 94 -1.044 -2.963 0.313 1.00 0.00 C ATOM 1491 SG CYS A 94 -2.163 -3.473 -1.008 1.00 0.00 S ATOM 0 H CYS A 94 -2.203 -1.653 2.358 1.00 0.00 H new ATOM 0 HA CYS A 94 -1.853 -4.481 1.608 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -1.010 -1.874 0.344 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -0.038 -3.307 0.073 1.00 0.00 H new ATOM 0 HG CYS A 94 -1.512 -4.190 -1.876 1.00 0.00 H new ATOM 1497 N PHE A 95 0.083 -4.768 3.062 1.00 0.00 N ATOM 1498 CA PHE A 95 1.255 -5.045 3.878 1.00 0.00 C ATOM 1499 C PHE A 95 2.397 -5.476 2.965 1.00 0.00 C ATOM 1500 O PHE A 95 2.760 -6.649 2.923 1.00 0.00 O ATOM 1501 CB PHE A 95 0.948 -6.160 4.880 1.00 0.00 C ATOM 1502 CG PHE A 95 0.737 -5.689 6.288 1.00 0.00 C ATOM 1503 CD1 PHE A 95 -0.540 -5.593 6.812 1.00 0.00 C ATOM 1504 CD2 PHE A 95 1.816 -5.361 7.091 1.00 0.00 C ATOM 1505 CE1 PHE A 95 -0.739 -5.179 8.113 1.00 0.00 C ATOM 1506 CE2 PHE A 95 1.623 -4.943 8.393 1.00 0.00 C ATOM 1507 CZ PHE A 95 0.344 -4.854 8.904 1.00 0.00 C ATOM 0 H PHE A 95 -0.517 -5.579 2.912 1.00 0.00 H new ATOM 0 HA PHE A 95 1.536 -4.148 4.430 1.00 0.00 H new ATOM 0 HB2 PHE A 95 0.055 -6.692 4.550 1.00 0.00 H new ATOM 0 HB3 PHE A 95 1.769 -6.877 4.869 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -1.390 -5.845 6.196 1.00 0.00 H new ATOM 0 HD2 PHE A 95 2.818 -5.433 6.695 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -1.740 -5.109 8.512 1.00 0.00 H new ATOM 0 HE2 PHE A 95 2.471 -4.686 9.010 1.00 0.00 H new ATOM 0 HZ PHE A 95 0.191 -4.530 9.923 1.00 0.00 H new ATOM 1517 N THR A 96 2.939 -4.530 2.211 1.00 0.00 N ATOM 1518 CA THR A 96 4.016 -4.834 1.276 1.00 0.00 C ATOM 1519 C THR A 96 5.323 -5.113 2.003 1.00 0.00 C ATOM 1520 O THR A 96 5.370 -5.138 3.229 1.00 0.00 O ATOM 1521 CB THR A 96 4.199 -3.694 0.272 1.00 0.00 C ATOM 1522 OG1 THR A 96 3.494 -2.536 0.687 1.00 0.00 O ATOM 1523 CG2 THR A 96 3.724 -4.048 -1.121 1.00 0.00 C ATOM 0 H THR A 96 2.654 -3.551 2.227 1.00 0.00 H new ATOM 0 HA THR A 96 3.735 -5.737 0.734 1.00 0.00 H new ATOM 0 HB THR A 96 5.272 -3.507 0.239 1.00 0.00 H new ATOM 0 HG1 THR A 96 4.133 -1.829 0.917 1.00 0.00 H new ATOM 0 HG21 THR A 96 3.881 -3.199 -1.786 1.00 0.00 H new ATOM 0 HG22 THR A 96 4.286 -4.906 -1.490 1.00 0.00 H new ATOM 0 HG23 THR A 96 2.663 -4.295 -1.092 1.00 0.00 H new ATOM 1531 N LEU A 97 6.381 -5.327 1.236 1.00 0.00 N ATOM 1532 CA LEU A 97 7.689 -5.602 1.807 1.00 0.00 C ATOM 1533 C LEU A 97 8.524 -4.328 1.855 1.00 0.00 C ATOM 1534 O LEU A 97 8.657 -3.630 0.851 1.00 0.00 O ATOM 1535 CB LEU A 97 8.401 -6.676 0.998 1.00 0.00 C ATOM 1536 CG LEU A 97 7.651 -8.001 0.918 1.00 0.00 C ATOM 1537 CD1 LEU A 97 8.167 -8.818 -0.240 1.00 0.00 C ATOM 1538 CD2 LEU A 97 7.775 -8.782 2.219 1.00 0.00 C ATOM 0 H LEU A 97 6.359 -5.315 0.216 1.00 0.00 H new ATOM 0 HA LEU A 97 7.557 -5.966 2.826 1.00 0.00 H new ATOM 0 HB2 LEU A 97 8.566 -6.303 -0.013 1.00 0.00 H new ATOM 0 HB3 LEU A 97 9.383 -6.854 1.436 1.00 0.00 H new ATOM 0 HG LEU A 97 6.594 -7.787 0.757 1.00 0.00 H new ATOM 0 HD11 LEU A 97 7.625 -9.763 -0.289 1.00 0.00 H new ATOM 0 HD12 LEU A 97 8.020 -8.267 -1.169 1.00 0.00 H new ATOM 0 HD13 LEU A 97 9.230 -9.016 -0.101 1.00 0.00 H new ATOM 0 HD21 LEU A 97 7.230 -9.722 2.132 1.00 0.00 H new ATOM 0 HD22 LEU A 97 8.826 -8.989 2.420 1.00 0.00 H new ATOM 0 HD23 LEU A 97 7.358 -8.195 3.037 1.00 0.00 H new ATOM 1550 N VAL A 98 9.067 -4.018 3.028 1.00 0.00 N ATOM 1551 CA VAL A 98 9.877 -2.813 3.208 1.00 0.00 C ATOM 1552 C VAL A 98 10.852 -2.614 2.048 1.00 0.00 C ATOM 1553 O VAL A 98 11.144 -1.484 1.659 1.00 0.00 O ATOM 1554 CB VAL A 98 10.673 -2.848 4.529 1.00 0.00 C ATOM 1555 CG1 VAL A 98 9.845 -2.264 5.663 1.00 0.00 C ATOM 1556 CG2 VAL A 98 11.114 -4.266 4.861 1.00 0.00 C ATOM 0 H VAL A 98 8.962 -4.584 3.870 1.00 0.00 H new ATOM 0 HA VAL A 98 9.177 -1.978 3.238 1.00 0.00 H new ATOM 0 HB VAL A 98 11.568 -2.238 4.404 1.00 0.00 H new ATOM 0 HG11 VAL A 98 10.421 -2.296 6.588 1.00 0.00 H new ATOM 0 HG12 VAL A 98 9.588 -1.230 5.431 1.00 0.00 H new ATOM 0 HG13 VAL A 98 8.932 -2.846 5.784 1.00 0.00 H new ATOM 0 HG21 VAL A 98 11.673 -4.263 5.797 1.00 0.00 H new ATOM 0 HG22 VAL A 98 10.237 -4.905 4.964 1.00 0.00 H new ATOM 0 HG23 VAL A 98 11.748 -4.647 4.060 1.00 0.00 H new ATOM 1566 N ASP A 99 11.342 -3.719 1.496 1.00 0.00 N ATOM 1567 CA ASP A 99 12.273 -3.661 0.375 1.00 0.00 C ATOM 1568 C ASP A 99 11.610 -3.018 -0.839 1.00 0.00 C ATOM 1569 O ASP A 99 12.234 -2.246 -1.567 1.00 0.00 O ATOM 1570 CB ASP A 99 12.765 -5.065 0.019 1.00 0.00 C ATOM 1571 CG ASP A 99 13.988 -5.469 0.818 1.00 0.00 C ATOM 1572 OD1 ASP A 99 15.105 -5.416 0.261 1.00 0.00 O ATOM 1573 OD2 ASP A 99 13.830 -5.839 2.001 1.00 0.00 O ATOM 0 H ASP A 99 11.111 -4.663 1.806 1.00 0.00 H new ATOM 0 HA ASP A 99 13.127 -3.052 0.670 1.00 0.00 H new ATOM 0 HB2 ASP A 99 11.965 -5.783 0.197 1.00 0.00 H new ATOM 0 HB3 ASP A 99 13.000 -5.106 -1.045 1.00 0.00 H new ATOM 1578 N ILE A 100 10.337 -3.341 -1.044 1.00 0.00 N ATOM 1579 CA ILE A 100 9.573 -2.796 -2.161 1.00 0.00 C ATOM 1580 C ILE A 100 9.359 -1.292 -1.993 1.00 0.00 C ATOM 1581 O ILE A 100 9.073 -0.819 -0.894 1.00 0.00 O ATOM 1582 CB ILE A 100 8.204 -3.499 -2.289 1.00 0.00 C ATOM 1583 CG1 ILE A 100 8.402 -4.998 -2.515 1.00 0.00 C ATOM 1584 CG2 ILE A 100 7.385 -2.896 -3.422 1.00 0.00 C ATOM 1585 CD1 ILE A 100 7.104 -5.767 -2.647 1.00 0.00 C ATOM 0 H ILE A 100 9.811 -3.980 -0.448 1.00 0.00 H new ATOM 0 HA ILE A 100 10.149 -2.974 -3.069 1.00 0.00 H new ATOM 0 HB ILE A 100 7.655 -3.351 -1.359 1.00 0.00 H new ATOM 0 HG12 ILE A 100 8.996 -5.146 -3.417 1.00 0.00 H new ATOM 0 HG13 ILE A 100 8.976 -5.410 -1.685 1.00 0.00 H new ATOM 0 HG21 ILE A 100 6.426 -3.409 -3.491 1.00 0.00 H new ATOM 0 HG22 ILE A 100 7.217 -1.837 -3.226 1.00 0.00 H new ATOM 0 HG23 ILE A 100 7.925 -3.010 -4.362 1.00 0.00 H new ATOM 0 HD11 ILE A 100 7.321 -6.823 -2.805 1.00 0.00 H new ATOM 0 HD12 ILE A 100 6.517 -5.650 -1.736 1.00 0.00 H new ATOM 0 HD13 ILE A 100 6.538 -5.382 -3.495 1.00 0.00 H new ATOM 1597 N PRO A 101 9.494 -0.519 -3.084 1.00 0.00 N ATOM 1598 CA PRO A 101 9.311 0.937 -3.047 1.00 0.00 C ATOM 1599 C PRO A 101 7.912 1.334 -2.589 1.00 0.00 C ATOM 1600 O PRO A 101 7.150 0.502 -2.093 1.00 0.00 O ATOM 1601 CB PRO A 101 9.543 1.377 -4.499 1.00 0.00 C ATOM 1602 CG PRO A 101 9.376 0.138 -5.312 1.00 0.00 C ATOM 1603 CD PRO A 101 9.831 -0.992 -4.437 1.00 0.00 C ATOM 0 HA PRO A 101 9.991 1.408 -2.337 1.00 0.00 H new ATOM 0 HB2 PRO A 101 8.828 2.144 -4.798 1.00 0.00 H new ATOM 0 HB3 PRO A 101 10.538 1.802 -4.628 1.00 0.00 H new ATOM 0 HG2 PRO A 101 8.337 0.005 -5.613 1.00 0.00 H new ATOM 0 HG3 PRO A 101 9.968 0.188 -6.226 1.00 0.00 H new ATOM 0 HD2 PRO A 101 9.317 -1.922 -4.679 1.00 0.00 H new ATOM 0 HD3 PRO A 101 10.899 -1.181 -4.544 1.00 0.00 H new ATOM 1611 N LYS A 102 7.580 2.609 -2.757 1.00 0.00 N ATOM 1612 CA LYS A 102 6.275 3.121 -2.362 1.00 0.00 C ATOM 1613 C LYS A 102 5.425 3.440 -3.589 1.00 0.00 C ATOM 1614 O LYS A 102 5.124 4.603 -3.863 1.00 0.00 O ATOM 1615 CB LYS A 102 6.438 4.370 -1.498 1.00 0.00 C ATOM 1616 CG LYS A 102 5.122 4.930 -0.984 1.00 0.00 C ATOM 1617 CD LYS A 102 5.250 6.400 -0.621 1.00 0.00 C ATOM 1618 CE LYS A 102 4.258 6.795 0.461 1.00 0.00 C ATOM 1619 NZ LYS A 102 3.903 8.240 0.387 1.00 0.00 N ATOM 0 H LYS A 102 8.200 3.309 -3.166 1.00 0.00 H new ATOM 0 HA LYS A 102 5.767 2.351 -1.781 1.00 0.00 H new ATOM 0 HB2 LYS A 102 7.079 4.133 -0.649 1.00 0.00 H new ATOM 0 HB3 LYS A 102 6.949 5.139 -2.078 1.00 0.00 H new ATOM 0 HG2 LYS A 102 4.351 4.807 -1.744 1.00 0.00 H new ATOM 0 HG3 LYS A 102 4.801 4.364 -0.110 1.00 0.00 H new ATOM 0 HD2 LYS A 102 6.264 6.604 -0.278 1.00 0.00 H new ATOM 0 HD3 LYS A 102 5.084 7.011 -1.508 1.00 0.00 H new ATOM 0 HE2 LYS A 102 3.354 6.193 0.362 1.00 0.00 H new ATOM 0 HE3 LYS A 102 4.682 6.575 1.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 3.225 8.470 1.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 4.761 8.815 0.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 3.475 8.445 -0.538 1.00 0.00 H new ATOM 1633 N ILE A 103 5.043 2.403 -4.328 1.00 0.00 N ATOM 1634 CA ILE A 103 4.233 2.584 -5.527 1.00 0.00 C ATOM 1635 C ILE A 103 3.413 1.338 -5.852 1.00 0.00 C ATOM 1636 O ILE A 103 2.261 1.446 -6.273 1.00 0.00 O ATOM 1637 CB ILE A 103 5.107 2.960 -6.741 1.00 0.00 C ATOM 1638 CG1 ILE A 103 4.236 3.263 -7.962 1.00 0.00 C ATOM 1639 CG2 ILE A 103 6.096 1.845 -7.050 1.00 0.00 C ATOM 1640 CD1 ILE A 103 3.796 4.709 -8.046 1.00 0.00 C ATOM 0 H ILE A 103 5.280 1.433 -4.119 1.00 0.00 H new ATOM 0 HA ILE A 103 3.545 3.403 -5.318 1.00 0.00 H new ATOM 0 HB ILE A 103 5.669 3.860 -6.494 1.00 0.00 H new ATOM 0 HG12 ILE A 103 4.789 3.007 -8.866 1.00 0.00 H new ATOM 0 HG13 ILE A 103 3.353 2.624 -7.936 1.00 0.00 H new ATOM 0 HG21 ILE A 103 6.705 2.126 -7.909 1.00 0.00 H new ATOM 0 HG22 ILE A 103 6.741 1.681 -6.187 1.00 0.00 H new ATOM 0 HG23 ILE A 103 5.552 0.928 -7.276 1.00 0.00 H new ATOM 0 HD11 ILE A 103 3.182 4.852 -8.936 1.00 0.00 H new ATOM 0 HD12 ILE A 103 3.215 4.965 -7.160 1.00 0.00 H new ATOM 0 HD13 ILE A 103 4.673 5.353 -8.103 1.00 0.00 H new ATOM 1652 N LEU A 104 3.994 0.158 -5.655 1.00 0.00 N ATOM 1653 CA LEU A 104 3.270 -1.081 -5.934 1.00 0.00 C ATOM 1654 C LEU A 104 1.979 -1.124 -5.126 1.00 0.00 C ATOM 1655 O LEU A 104 0.891 -1.095 -5.696 1.00 0.00 O ATOM 1656 CB LEU A 104 4.125 -2.324 -5.639 1.00 0.00 C ATOM 1657 CG LEU A 104 3.341 -3.646 -5.561 1.00 0.00 C ATOM 1658 CD1 LEU A 104 3.455 -4.423 -6.862 1.00 0.00 C ATOM 1659 CD2 LEU A 104 3.820 -4.495 -4.391 1.00 0.00 C ATOM 0 H LEU A 104 4.946 0.032 -5.310 1.00 0.00 H new ATOM 0 HA LEU A 104 3.032 -1.093 -6.998 1.00 0.00 H new ATOM 0 HB2 LEU A 104 4.887 -2.415 -6.413 1.00 0.00 H new ATOM 0 HB3 LEU A 104 4.647 -2.172 -4.694 1.00 0.00 H new ATOM 0 HG LEU A 104 2.291 -3.401 -5.399 1.00 0.00 H new ATOM 0 HD11 LEU A 104 2.892 -5.353 -6.781 1.00 0.00 H new ATOM 0 HD12 LEU A 104 3.052 -3.825 -7.679 1.00 0.00 H new ATOM 0 HD13 LEU A 104 4.503 -4.649 -7.060 1.00 0.00 H new ATOM 0 HD21 LEU A 104 3.250 -5.424 -4.358 1.00 0.00 H new ATOM 0 HD22 LEU A 104 4.878 -4.723 -4.516 1.00 0.00 H new ATOM 0 HD23 LEU A 104 3.675 -3.947 -3.460 1.00 0.00 H new ATOM 1671 N PRO A 105 2.075 -1.180 -3.783 1.00 0.00 N ATOM 1672 CA PRO A 105 0.902 -1.216 -2.911 1.00 0.00 C ATOM 1673 C PRO A 105 -0.117 -0.158 -3.304 1.00 0.00 C ATOM 1674 O PRO A 105 -1.322 -0.351 -3.152 1.00 0.00 O ATOM 1675 CB PRO A 105 1.468 -0.934 -1.507 1.00 0.00 C ATOM 1676 CG PRO A 105 2.900 -0.560 -1.712 1.00 0.00 C ATOM 1677 CD PRO A 105 3.319 -1.195 -3.005 1.00 0.00 C ATOM 0 HA PRO A 105 0.375 -2.168 -2.971 1.00 0.00 H new ATOM 0 HB2 PRO A 105 0.920 -0.128 -1.019 1.00 0.00 H new ATOM 0 HB3 PRO A 105 1.381 -1.812 -0.867 1.00 0.00 H new ATOM 0 HG2 PRO A 105 3.017 0.523 -1.755 1.00 0.00 H new ATOM 0 HG3 PRO A 105 3.517 -0.915 -0.886 1.00 0.00 H new ATOM 0 HD2 PRO A 105 4.112 -0.631 -3.496 1.00 0.00 H new ATOM 0 HD3 PRO A 105 3.693 -2.208 -2.857 1.00 0.00 H new ATOM 1685 N ILE A 106 0.380 0.953 -3.830 1.00 0.00 N ATOM 1686 CA ILE A 106 -0.482 2.038 -4.267 1.00 0.00 C ATOM 1687 C ILE A 106 -1.272 1.607 -5.496 1.00 0.00 C ATOM 1688 O ILE A 106 -2.432 1.984 -5.672 1.00 0.00 O ATOM 1689 CB ILE A 106 0.336 3.307 -4.578 1.00 0.00 C ATOM 1690 CG1 ILE A 106 0.991 3.846 -3.304 1.00 0.00 C ATOM 1691 CG2 ILE A 106 -0.530 4.376 -5.223 1.00 0.00 C ATOM 1692 CD1 ILE A 106 2.190 3.043 -2.854 1.00 0.00 C ATOM 0 H ILE A 106 1.376 1.125 -3.964 1.00 0.00 H new ATOM 0 HA ILE A 106 -1.174 2.274 -3.458 1.00 0.00 H new ATOM 0 HB ILE A 106 1.118 3.037 -5.287 1.00 0.00 H new ATOM 0 HG12 ILE A 106 1.298 4.878 -3.472 1.00 0.00 H new ATOM 0 HG13 ILE A 106 0.252 3.859 -2.503 1.00 0.00 H new ATOM 0 HG21 ILE A 106 0.075 5.258 -5.430 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -0.946 3.994 -6.155 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -1.342 4.644 -4.547 1.00 0.00 H new ATOM 0 HD11 ILE A 106 2.603 3.483 -1.946 1.00 0.00 H new ATOM 0 HD12 ILE A 106 1.886 2.016 -2.654 1.00 0.00 H new ATOM 0 HD13 ILE A 106 2.948 3.051 -3.637 1.00 0.00 H new ATOM 1704 N ARG A 107 -0.638 0.793 -6.331 1.00 0.00 N ATOM 1705 CA ARG A 107 -1.272 0.281 -7.537 1.00 0.00 C ATOM 1706 C ARG A 107 -2.092 -0.966 -7.217 1.00 0.00 C ATOM 1707 O ARG A 107 -3.021 -1.310 -7.946 1.00 0.00 O ATOM 1708 CB ARG A 107 -0.219 -0.037 -8.597 1.00 0.00 C ATOM 1709 CG ARG A 107 0.424 1.199 -9.202 1.00 0.00 C ATOM 1710 CD ARG A 107 -0.424 1.779 -10.321 1.00 0.00 C ATOM 1711 NE ARG A 107 -1.469 2.663 -9.816 1.00 0.00 N ATOM 1712 CZ ARG A 107 -1.251 3.911 -9.407 1.00 0.00 C ATOM 1713 NH1 ARG A 107 -0.028 4.425 -9.444 1.00 0.00 N ATOM 1714 NH2 ARG A 107 -2.258 4.647 -8.956 1.00 0.00 N ATOM 0 H ARG A 107 0.320 0.472 -6.193 1.00 0.00 H new ATOM 0 HA ARG A 107 -1.941 1.047 -7.929 1.00 0.00 H new ATOM 0 HB2 ARG A 107 0.557 -0.660 -8.152 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -0.680 -0.623 -9.392 1.00 0.00 H new ATOM 0 HG2 ARG A 107 0.568 1.951 -8.427 1.00 0.00 H new ATOM 0 HG3 ARG A 107 1.411 0.945 -9.587 1.00 0.00 H new ATOM 0 HD2 ARG A 107 0.215 2.331 -11.011 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -0.879 0.967 -10.888 1.00 0.00 H new ATOM 0 HE ARG A 107 -2.423 2.304 -9.774 1.00 0.00 H new ATOM 0 HH11 ARG A 107 0.751 3.863 -9.787 1.00 0.00 H new ATOM 0 HH12 ARG A 107 0.133 5.382 -9.129 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -3.200 4.257 -8.922 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -2.091 5.603 -8.643 1.00 0.00 H new ATOM 1728 N ILE A 108 -1.752 -1.637 -6.114 1.00 0.00 N ATOM 1729 CA ILE A 108 -2.471 -2.835 -5.700 1.00 0.00 C ATOM 1730 C ILE A 108 -3.867 -2.468 -5.217 1.00 0.00 C ATOM 1731 O ILE A 108 -4.849 -3.104 -5.590 1.00 0.00 O ATOM 1732 CB ILE A 108 -1.728 -3.598 -4.584 1.00 0.00 C ATOM 1733 CG1 ILE A 108 -0.252 -3.735 -4.933 1.00 0.00 C ATOM 1734 CG2 ILE A 108 -2.346 -4.972 -4.374 1.00 0.00 C ATOM 1735 CD1 ILE A 108 -0.013 -4.374 -6.280 1.00 0.00 C ATOM 0 H ILE A 108 -0.986 -1.369 -5.496 1.00 0.00 H new ATOM 0 HA ILE A 108 -2.538 -3.489 -6.570 1.00 0.00 H new ATOM 0 HB ILE A 108 -1.820 -3.031 -3.658 1.00 0.00 H new ATOM 0 HG12 ILE A 108 0.210 -2.748 -4.920 1.00 0.00 H new ATOM 0 HG13 ILE A 108 0.242 -4.329 -4.164 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -1.809 -5.496 -3.583 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -3.392 -4.861 -4.090 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -2.280 -5.546 -5.298 1.00 0.00 H new ATOM 0 HD11 ILE A 108 1.059 -4.441 -6.466 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -0.446 -5.374 -6.290 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -0.479 -3.769 -7.058 1.00 0.00 H new ATOM 1747 N LEU A 109 -3.951 -1.423 -4.401 1.00 0.00 N ATOM 1748 CA LEU A 109 -5.236 -0.963 -3.894 1.00 0.00 C ATOM 1749 C LEU A 109 -5.972 -0.202 -4.985 1.00 0.00 C ATOM 1750 O LEU A 109 -7.128 -0.495 -5.286 1.00 0.00 O ATOM 1751 CB LEU A 109 -5.050 -0.081 -2.654 1.00 0.00 C ATOM 1752 CG LEU A 109 -4.807 -0.830 -1.334 1.00 0.00 C ATOM 1753 CD1 LEU A 109 -5.072 -2.321 -1.489 1.00 0.00 C ATOM 1754 CD2 LEU A 109 -3.390 -0.591 -0.837 1.00 0.00 C ATOM 0 H LEU A 109 -3.149 -0.882 -4.079 1.00 0.00 H new ATOM 0 HA LEU A 109 -5.829 -1.830 -3.601 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -4.209 0.589 -2.830 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -5.936 0.543 -2.538 1.00 0.00 H new ATOM 0 HG LEU A 109 -5.506 -0.439 -0.595 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -4.891 -2.823 -0.539 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -6.108 -2.477 -1.791 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -4.407 -2.732 -2.249 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -3.237 -1.129 0.098 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -2.678 -0.948 -1.582 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -3.238 0.475 -0.671 1.00 0.00 H new ATOM 1766 N SER A 110 -5.283 0.752 -5.605 1.00 0.00 N ATOM 1767 CA SER A 110 -5.874 1.515 -6.693 1.00 0.00 C ATOM 1768 C SER A 110 -6.217 0.566 -7.835 1.00 0.00 C ATOM 1769 O SER A 110 -7.183 0.775 -8.568 1.00 0.00 O ATOM 1770 CB SER A 110 -4.915 2.603 -7.177 1.00 0.00 C ATOM 1771 OG SER A 110 -5.560 3.491 -8.074 1.00 0.00 O ATOM 0 H SER A 110 -4.324 1.011 -5.373 1.00 0.00 H new ATOM 0 HA SER A 110 -6.781 2.004 -6.337 1.00 0.00 H new ATOM 0 HB2 SER A 110 -4.531 3.160 -6.322 1.00 0.00 H new ATOM 0 HB3 SER A 110 -4.058 2.144 -7.669 1.00 0.00 H new ATOM 0 HG SER A 110 -5.059 4.332 -8.119 1.00 0.00 H new ATOM 1777 N GLY A 111 -5.424 -0.497 -7.951 1.00 0.00 N ATOM 1778 CA GLY A 111 -5.658 -1.494 -8.971 1.00 0.00 C ATOM 1779 C GLY A 111 -6.830 -2.377 -8.604 1.00 0.00 C ATOM 1780 O GLY A 111 -7.725 -2.604 -9.416 1.00 0.00 O ATOM 0 H GLY A 111 -4.620 -0.682 -7.351 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -5.851 -1.005 -9.926 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -4.764 -2.104 -9.100 1.00 0.00 H new ATOM 1784 N LEU A 112 -6.842 -2.853 -7.358 1.00 0.00 N ATOM 1785 CA LEU A 112 -7.938 -3.685 -6.876 1.00 0.00 C ATOM 1786 C LEU A 112 -9.248 -2.932 -7.048 1.00 0.00 C ATOM 1787 O LEU A 112 -10.301 -3.529 -7.277 1.00 0.00 O ATOM 1788 CB LEU A 112 -7.737 -4.061 -5.400 1.00 0.00 C ATOM 1789 CG LEU A 112 -6.650 -5.106 -5.120 1.00 0.00 C ATOM 1790 CD1 LEU A 112 -6.064 -4.911 -3.729 1.00 0.00 C ATOM 1791 CD2 LEU A 112 -7.207 -6.512 -5.257 1.00 0.00 C ATOM 0 H LEU A 112 -6.109 -2.677 -6.671 1.00 0.00 H new ATOM 0 HA LEU A 112 -7.962 -4.607 -7.457 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -7.496 -3.155 -4.843 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -8.683 -4.434 -5.007 1.00 0.00 H new ATOM 0 HG LEU A 112 -5.857 -4.972 -5.856 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -5.295 -5.662 -3.550 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -5.624 -3.916 -3.656 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -6.853 -5.015 -2.984 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -6.419 -7.237 -5.054 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -8.021 -6.652 -4.545 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -7.582 -6.658 -6.270 1.00 0.00 H new ATOM 1803 N GLN A 113 -9.165 -1.607 -6.959 1.00 0.00 N ATOM 1804 CA GLN A 113 -10.328 -0.755 -7.128 1.00 0.00 C ATOM 1805 C GLN A 113 -10.649 -0.590 -8.610 1.00 0.00 C ATOM 1806 O GLN A 113 -11.752 -0.178 -8.972 1.00 0.00 O ATOM 1807 CB GLN A 113 -10.087 0.614 -6.489 1.00 0.00 C ATOM 1808 CG GLN A 113 -11.364 1.334 -6.094 1.00 0.00 C ATOM 1809 CD GLN A 113 -11.202 2.842 -6.079 1.00 0.00 C ATOM 1810 OE1 GLN A 113 -11.078 3.411 -4.886 1.00 0.00 O flip ATOM 1811 NE2 GLN A 113 -11.186 3.486 -7.127 1.00 0.00 N flip ATOM 0 H GLN A 113 -8.299 -1.103 -6.770 1.00 0.00 H new ATOM 0 HA GLN A 113 -11.176 -1.227 -6.632 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -9.463 0.488 -5.605 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -9.529 1.238 -7.187 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -12.159 1.064 -6.790 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -11.677 0.996 -5.106 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -11.285 3.006 -8.022 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -11.074 4.499 -7.101 1.00 0.00 H new ATOM 1820 N GLU A 114 -9.683 -0.919 -9.472 1.00 0.00 N ATOM 1821 CA GLU A 114 -9.879 -0.810 -10.906 1.00 0.00 C ATOM 1822 C GLU A 114 -10.739 -1.961 -11.413 1.00 0.00 C ATOM 1823 O GLU A 114 -11.404 -1.844 -12.443 1.00 0.00 O ATOM 1824 CB GLU A 114 -8.533 -0.791 -11.635 1.00 0.00 C ATOM 1825 CG GLU A 114 -8.225 0.539 -12.305 1.00 0.00 C ATOM 1826 CD GLU A 114 -8.108 0.420 -13.814 1.00 0.00 C ATOM 1827 OE1 GLU A 114 -9.140 0.166 -14.471 1.00 0.00 O ATOM 1828 OE2 GLU A 114 -6.986 0.583 -14.336 1.00 0.00 O ATOM 0 H GLU A 114 -8.763 -1.261 -9.195 1.00 0.00 H new ATOM 0 HA GLU A 114 -10.395 0.128 -11.111 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -7.740 -1.023 -10.924 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -8.526 -1.579 -12.388 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -9.010 1.255 -12.061 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -7.294 0.937 -11.902 1.00 0.00 H new ATOM 1835 N TYR A 115 -10.729 -3.078 -10.683 1.00 0.00 N ATOM 1836 CA TYR A 115 -11.519 -4.235 -11.073 1.00 0.00 C ATOM 1837 C TYR A 115 -12.971 -4.084 -10.609 1.00 0.00 C ATOM 1838 O TYR A 115 -13.799 -3.516 -11.318 1.00 0.00 O ATOM 1839 CB TYR A 115 -10.915 -5.517 -10.500 1.00 0.00 C ATOM 1840 CG TYR A 115 -9.625 -5.952 -11.159 1.00 0.00 C ATOM 1841 CD1 TYR A 115 -9.512 -7.207 -11.741 1.00 0.00 C ATOM 1842 CD2 TYR A 115 -8.517 -5.115 -11.183 1.00 0.00 C ATOM 1843 CE1 TYR A 115 -8.333 -7.616 -12.333 1.00 0.00 C ATOM 1844 CE2 TYR A 115 -7.334 -5.515 -11.775 1.00 0.00 C ATOM 1845 CZ TYR A 115 -7.247 -6.767 -12.346 1.00 0.00 C ATOM 1846 OH TYR A 115 -6.070 -7.171 -12.935 1.00 0.00 O ATOM 0 H TYR A 115 -10.187 -3.201 -9.828 1.00 0.00 H new ATOM 0 HA TYR A 115 -11.508 -4.299 -12.161 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -10.734 -5.374 -9.435 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -11.645 -6.321 -10.594 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -10.360 -7.875 -11.731 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -8.581 -4.136 -10.732 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -8.262 -8.595 -12.783 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -6.483 -4.851 -11.790 1.00 0.00 H new ATOM 0 HH TYR A 115 -5.404 -6.456 -12.860 1.00 0.00 H new ATOM 1856 N GLU A 116 -13.266 -4.598 -9.408 1.00 0.00 N ATOM 1857 CA GLU A 116 -14.610 -4.533 -8.828 1.00 0.00 C ATOM 1858 C GLU A 116 -14.766 -5.579 -7.727 1.00 0.00 C ATOM 1859 O GLU A 116 -15.550 -5.403 -6.795 1.00 0.00 O ATOM 1860 CB GLU A 116 -15.686 -4.755 -9.898 1.00 0.00 C ATOM 1861 CG GLU A 116 -15.358 -5.877 -10.869 1.00 0.00 C ATOM 1862 CD GLU A 116 -16.599 -6.555 -11.418 1.00 0.00 C ATOM 1863 OE1 GLU A 116 -16.495 -7.223 -12.469 1.00 0.00 O ATOM 1864 OE2 GLU A 116 -17.674 -6.418 -10.798 1.00 0.00 O ATOM 0 H GLU A 116 -12.582 -5.068 -8.815 1.00 0.00 H new ATOM 0 HA GLU A 116 -14.739 -3.537 -8.404 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -16.634 -4.976 -9.407 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -15.825 -3.830 -10.458 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -14.771 -5.477 -11.696 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -14.736 -6.618 -10.366 1.00 0.00 H new ATOM 1871 N SER A 117 -14.018 -6.672 -7.850 1.00 0.00 N ATOM 1872 CA SER A 117 -14.067 -7.758 -6.876 1.00 0.00 C ATOM 1873 C SER A 117 -12.767 -7.860 -6.092 1.00 0.00 C ATOM 1874 O SER A 117 -11.677 -7.901 -6.658 1.00 0.00 O ATOM 1875 CB SER A 117 -14.355 -9.084 -7.585 1.00 0.00 C ATOM 1876 OG SER A 117 -15.524 -8.994 -8.383 1.00 0.00 O ATOM 0 H SER A 117 -13.367 -6.829 -8.619 1.00 0.00 H new ATOM 0 HA SER A 117 -14.869 -7.541 -6.171 1.00 0.00 H new ATOM 0 HB2 SER A 117 -13.505 -9.358 -8.210 1.00 0.00 H new ATOM 0 HB3 SER A 117 -14.476 -9.876 -6.846 1.00 0.00 H new ATOM 0 HG SER A 117 -15.685 -9.853 -8.826 1.00 0.00 H new ATOM 1882 N ASN A 118 -12.907 -7.904 -4.781 1.00 0.00 N ATOM 1883 CA ASN A 118 -11.774 -8.009 -3.874 1.00 0.00 C ATOM 1884 C ASN A 118 -12.288 -8.227 -2.463 1.00 0.00 C ATOM 1885 O ASN A 118 -11.733 -7.709 -1.495 1.00 0.00 O ATOM 1886 CB ASN A 118 -10.914 -6.741 -3.930 1.00 0.00 C ATOM 1887 CG ASN A 118 -11.740 -5.482 -4.115 1.00 0.00 C ATOM 1888 OD1 ASN A 118 -12.109 -5.125 -5.234 1.00 0.00 O ATOM 1889 ND2 ASN A 118 -12.034 -4.800 -3.014 1.00 0.00 N ATOM 0 H ASN A 118 -13.811 -7.868 -4.311 1.00 0.00 H new ATOM 0 HA ASN A 118 -11.153 -8.852 -4.175 1.00 0.00 H new ATOM 0 HB2 ASN A 118 -10.335 -6.659 -3.010 1.00 0.00 H new ATOM 0 HB3 ASN A 118 -10.201 -6.826 -4.750 1.00 0.00 H new ATOM 0 HD21 ASN A 118 -12.586 -3.944 -3.076 1.00 0.00 H new ATOM 0 HD22 ASN A 118 -11.708 -5.132 -2.106 1.00 0.00 H new ATOM 1896 N ALA A 119 -13.390 -8.969 -2.368 1.00 0.00 N ATOM 1897 CA ALA A 119 -14.022 -9.231 -1.081 1.00 0.00 C ATOM 1898 C ALA A 119 -13.862 -10.674 -0.603 1.00 0.00 C ATOM 1899 O ALA A 119 -14.746 -11.202 0.072 1.00 0.00 O ATOM 1900 CB ALA A 119 -15.498 -8.875 -1.163 1.00 0.00 C ATOM 0 H ALA A 119 -13.861 -9.397 -3.165 1.00 0.00 H new ATOM 0 HA ALA A 119 -13.513 -8.607 -0.346 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -15.973 -9.070 -0.202 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -15.604 -7.819 -1.413 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -15.976 -9.480 -1.933 1.00 0.00 H new ATOM 1906 N THR A 120 -12.739 -11.311 -0.921 1.00 0.00 N ATOM 1907 CA THR A 120 -12.512 -12.681 -0.477 1.00 0.00 C ATOM 1908 C THR A 120 -11.036 -12.907 -0.181 1.00 0.00 C ATOM 1909 O THR A 120 -10.169 -12.315 -0.822 1.00 0.00 O ATOM 1910 CB THR A 120 -13.011 -13.696 -1.517 1.00 0.00 C ATOM 1911 OG1 THR A 120 -11.927 -14.341 -2.162 1.00 0.00 O ATOM 1912 CG2 THR A 120 -13.885 -13.085 -2.592 1.00 0.00 C ATOM 0 H THR A 120 -11.983 -10.908 -1.475 1.00 0.00 H new ATOM 0 HA THR A 120 -13.082 -12.833 0.440 1.00 0.00 H new ATOM 0 HB THR A 120 -13.609 -14.407 -0.947 1.00 0.00 H new ATOM 0 HG1 THR A 120 -12.271 -15.005 -2.795 1.00 0.00 H new ATOM 0 HG21 THR A 120 -14.199 -13.861 -3.290 1.00 0.00 H new ATOM 0 HG22 THR A 120 -14.764 -12.632 -2.133 1.00 0.00 H new ATOM 0 HG23 THR A 120 -13.322 -12.321 -3.128 1.00 0.00 H new ATOM 1920 N ASN A 121 -10.753 -13.773 0.785 1.00 0.00 N ATOM 1921 CA ASN A 121 -9.372 -14.074 1.153 1.00 0.00 C ATOM 1922 C ASN A 121 -8.662 -14.862 0.061 1.00 0.00 C ATOM 1923 O ASN A 121 -7.665 -15.533 0.322 1.00 0.00 O ATOM 1924 CB ASN A 121 -9.330 -14.849 2.471 1.00 0.00 C ATOM 1925 CG ASN A 121 -9.955 -14.077 3.617 1.00 0.00 C ATOM 1926 OD1 ASN A 121 -10.056 -12.851 3.573 1.00 0.00 O ATOM 1927 ND2 ASN A 121 -10.379 -14.793 4.653 1.00 0.00 N ATOM 0 H ASN A 121 -11.456 -14.277 1.326 1.00 0.00 H new ATOM 0 HA ASN A 121 -8.849 -13.126 1.278 1.00 0.00 H new ATOM 0 HB2 ASN A 121 -9.853 -15.798 2.348 1.00 0.00 H new ATOM 0 HB3 ASN A 121 -8.295 -15.085 2.718 1.00 0.00 H new ATOM 0 HD21 ASN A 121 -10.808 -14.328 5.453 1.00 0.00 H new ATOM 0 HD22 ASN A 121 -10.276 -15.808 4.648 1.00 0.00 H new ATOM 1934 N GLU A 122 -9.167 -14.766 -1.165 1.00 0.00 N ATOM 1935 CA GLU A 122 -8.565 -15.454 -2.285 1.00 0.00 C ATOM 1936 C GLU A 122 -9.066 -14.847 -3.583 1.00 0.00 C ATOM 1937 O GLU A 122 -9.088 -15.504 -4.624 1.00 0.00 O ATOM 1938 CB GLU A 122 -8.890 -16.949 -2.239 1.00 0.00 C ATOM 1939 CG GLU A 122 -7.795 -17.827 -2.822 1.00 0.00 C ATOM 1940 CD GLU A 122 -6.494 -17.728 -2.048 1.00 0.00 C ATOM 1941 OE1 GLU A 122 -5.489 -17.272 -2.632 1.00 0.00 O ATOM 1942 OE2 GLU A 122 -6.483 -18.107 -0.858 1.00 0.00 O ATOM 0 H GLU A 122 -9.993 -14.216 -1.401 1.00 0.00 H new ATOM 0 HA GLU A 122 -7.482 -15.340 -2.228 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -9.067 -17.242 -1.204 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -9.817 -17.128 -2.784 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -8.131 -18.864 -2.829 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -7.619 -17.542 -3.859 1.00 0.00 H new ATOM 1949 N LEU A 123 -9.476 -13.580 -3.514 1.00 0.00 N ATOM 1950 CA LEU A 123 -9.981 -12.890 -4.678 1.00 0.00 C ATOM 1951 C LEU A 123 -9.179 -11.628 -4.908 1.00 0.00 C ATOM 1952 O LEU A 123 -8.576 -11.446 -5.964 1.00 0.00 O ATOM 1953 CB LEU A 123 -11.450 -12.569 -4.478 1.00 0.00 C ATOM 1954 CG LEU A 123 -12.176 -12.118 -5.728 1.00 0.00 C ATOM 1955 CD1 LEU A 123 -13.665 -12.334 -5.557 1.00 0.00 C ATOM 1956 CD2 LEU A 123 -11.860 -10.664 -6.008 1.00 0.00 C ATOM 0 H LEU A 123 -9.464 -13.020 -2.661 1.00 0.00 H new ATOM 0 HA LEU A 123 -9.882 -13.526 -5.558 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -11.950 -13.453 -4.083 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -11.538 -11.789 -3.722 1.00 0.00 H new ATOM 0 HG LEU A 123 -11.842 -12.707 -6.582 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -14.186 -12.009 -6.458 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -13.862 -13.392 -5.386 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -14.021 -11.757 -4.704 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -12.385 -10.344 -6.908 1.00 0.00 H new ATOM 0 HD22 LEU A 123 -12.181 -10.053 -5.165 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -10.786 -10.546 -6.153 1.00 0.00 H new ATOM 1968 N LEU A 124 -9.146 -10.767 -3.902 1.00 0.00 N ATOM 1969 CA LEU A 124 -8.378 -9.541 -3.991 1.00 0.00 C ATOM 1970 C LEU A 124 -6.953 -9.886 -4.400 1.00 0.00 C ATOM 1971 O LEU A 124 -6.359 -9.228 -5.253 1.00 0.00 O ATOM 1972 CB LEU A 124 -8.423 -8.805 -2.656 1.00 0.00 C ATOM 1973 CG LEU A 124 -7.097 -8.672 -1.918 1.00 0.00 C ATOM 1974 CD1 LEU A 124 -7.098 -7.400 -1.115 1.00 0.00 C ATOM 1975 CD2 LEU A 124 -6.869 -9.875 -1.024 1.00 0.00 C ATOM 0 H LEU A 124 -9.641 -10.896 -3.019 1.00 0.00 H new ATOM 0 HA LEU A 124 -8.802 -8.876 -4.744 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -8.821 -7.805 -2.829 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -9.128 -9.320 -2.004 1.00 0.00 H new ATOM 0 HG LEU A 124 -6.282 -8.632 -2.641 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -6.150 -7.303 -0.586 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -7.230 -6.548 -1.782 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -7.915 -7.426 -0.394 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -5.918 -9.766 -0.503 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -7.676 -9.945 -0.295 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -6.849 -10.780 -1.631 1.00 0.00 H new ATOM 1987 N SER A 125 -6.426 -10.952 -3.803 1.00 0.00 N ATOM 1988 CA SER A 125 -5.082 -11.418 -4.124 1.00 0.00 C ATOM 1989 C SER A 125 -4.931 -11.596 -5.632 1.00 0.00 C ATOM 1990 O SER A 125 -3.836 -11.464 -6.184 1.00 0.00 O ATOM 1991 CB SER A 125 -4.801 -12.745 -3.415 1.00 0.00 C ATOM 1992 OG SER A 125 -5.712 -13.748 -3.828 1.00 0.00 O ATOM 0 H SER A 125 -6.908 -11.507 -3.096 1.00 0.00 H new ATOM 0 HA SER A 125 -4.364 -10.672 -3.782 1.00 0.00 H new ATOM 0 HB2 SER A 125 -3.781 -13.066 -3.628 1.00 0.00 H new ATOM 0 HB3 SER A 125 -4.873 -12.607 -2.336 1.00 0.00 H new ATOM 0 HG SER A 125 -5.510 -14.586 -3.362 1.00 0.00 H new ATOM 1998 N SER A 126 -6.046 -11.896 -6.296 1.00 0.00 N ATOM 1999 CA SER A 126 -6.041 -12.096 -7.735 1.00 0.00 C ATOM 2000 C SER A 126 -5.618 -10.837 -8.462 1.00 0.00 C ATOM 2001 O SER A 126 -4.606 -10.820 -9.165 1.00 0.00 O ATOM 2002 CB SER A 126 -7.433 -12.512 -8.207 1.00 0.00 C ATOM 2003 OG SER A 126 -7.358 -13.447 -9.270 1.00 0.00 O ATOM 0 H SER A 126 -6.960 -12.005 -5.857 1.00 0.00 H new ATOM 0 HA SER A 126 -5.323 -12.884 -7.963 1.00 0.00 H new ATOM 0 HB2 SER A 126 -7.986 -12.948 -7.375 1.00 0.00 H new ATOM 0 HB3 SER A 126 -7.987 -11.632 -8.532 1.00 0.00 H new ATOM 0 HG SER A 126 -8.263 -13.697 -9.551 1.00 0.00 H new ATOM 2009 N HIS A 127 -6.397 -9.786 -8.291 1.00 0.00 N ATOM 2010 CA HIS A 127 -6.103 -8.525 -8.932 1.00 0.00 C ATOM 2011 C HIS A 127 -4.744 -8.019 -8.488 1.00 0.00 C ATOM 2012 O HIS A 127 -4.033 -7.382 -9.255 1.00 0.00 O ATOM 2013 CB HIS A 127 -7.203 -7.515 -8.623 1.00 0.00 C ATOM 2014 CG HIS A 127 -8.565 -8.033 -8.963 1.00 0.00 C ATOM 2015 ND1 HIS A 127 -8.941 -9.173 -9.591 1.00 0.00 N flip ATOM 2016 CD2 HIS A 127 -9.728 -7.363 -8.661 1.00 0.00 C flip ATOM 2017 CE1 HIS A 127 -10.311 -9.169 -9.657 1.00 0.00 C flip ATOM 2018 NE2 HIS A 127 -10.762 -8.068 -9.089 1.00 0.00 N flip ATOM 0 H HIS A 127 -7.237 -9.783 -7.713 1.00 0.00 H new ATOM 0 HA HIS A 127 -6.070 -8.667 -10.012 1.00 0.00 H new ATOM 0 HB2 HIS A 127 -7.169 -7.257 -7.564 1.00 0.00 H new ATOM 0 HB3 HIS A 127 -7.017 -6.597 -9.181 1.00 0.00 H new ATOM 0 HD1 HIS A 127 -8.320 -9.899 -9.948 1.00 0.00 H new ATOM 0 HD2 HIS A 127 -9.787 -6.411 -8.154 1.00 0.00 H new ATOM 0 HE1 HIS A 127 -10.921 -9.942 -10.102 1.00 0.00 H new ATOM 2027 N VAL A 128 -4.363 -8.333 -7.256 1.00 0.00 N ATOM 2028 CA VAL A 128 -3.062 -7.919 -6.759 1.00 0.00 C ATOM 2029 C VAL A 128 -1.972 -8.441 -7.684 1.00 0.00 C ATOM 2030 O VAL A 128 -1.032 -7.721 -8.019 1.00 0.00 O ATOM 2031 CB VAL A 128 -2.806 -8.413 -5.324 1.00 0.00 C ATOM 2032 CG1 VAL A 128 -1.453 -7.918 -4.822 1.00 0.00 C ATOM 2033 CG2 VAL A 128 -3.931 -7.961 -4.405 1.00 0.00 C ATOM 0 H VAL A 128 -4.928 -8.865 -6.594 1.00 0.00 H new ATOM 0 HA VAL A 128 -3.047 -6.829 -6.739 1.00 0.00 H new ATOM 0 HB VAL A 128 -2.784 -9.503 -5.325 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -1.289 -8.277 -3.806 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -0.664 -8.295 -5.472 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -1.439 -6.828 -4.829 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -3.739 -8.316 -3.393 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -3.984 -6.872 -4.403 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -4.877 -8.370 -4.760 1.00 0.00 H new ATOM 2043 N GLY A 129 -2.114 -9.693 -8.118 1.00 0.00 N ATOM 2044 CA GLY A 129 -1.135 -10.262 -9.024 1.00 0.00 C ATOM 2045 C GLY A 129 -1.313 -9.751 -10.443 1.00 0.00 C ATOM 2046 O GLY A 129 -0.341 -9.387 -11.109 1.00 0.00 O ATOM 0 H GLY A 129 -2.881 -10.315 -7.861 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -0.132 -10.019 -8.674 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -1.221 -11.349 -9.016 1.00 0.00 H new ATOM 2050 N GLN A 130 -2.563 -9.712 -10.902 1.00 0.00 N ATOM 2051 CA GLN A 130 -2.874 -9.231 -12.247 1.00 0.00 C ATOM 2052 C GLN A 130 -2.581 -7.737 -12.373 1.00 0.00 C ATOM 2053 O GLN A 130 -2.376 -7.224 -13.474 1.00 0.00 O ATOM 2054 CB GLN A 130 -4.342 -9.509 -12.583 1.00 0.00 C ATOM 2055 CG GLN A 130 -4.602 -10.940 -13.022 1.00 0.00 C ATOM 2056 CD GLN A 130 -6.077 -11.223 -13.244 1.00 0.00 C ATOM 2057 OE1 GLN A 130 -6.931 -10.385 -12.958 1.00 0.00 O ATOM 2058 NE2 GLN A 130 -6.380 -12.408 -13.758 1.00 0.00 N ATOM 0 H GLN A 130 -3.377 -10.008 -10.362 1.00 0.00 H new ATOM 0 HA GLN A 130 -2.240 -9.766 -12.954 1.00 0.00 H new ATOM 0 HB2 GLN A 130 -4.955 -9.288 -11.709 1.00 0.00 H new ATOM 0 HB3 GLN A 130 -4.660 -8.831 -13.375 1.00 0.00 H new ATOM 0 HG2 GLN A 130 -4.055 -11.139 -13.944 1.00 0.00 H new ATOM 0 HG3 GLN A 130 -4.214 -11.624 -12.267 1.00 0.00 H new ATOM 0 HE21 GLN A 130 -5.638 -13.072 -13.980 1.00 0.00 H new ATOM 0 HE22 GLN A 130 -7.354 -12.655 -13.931 1.00 0.00 H new ATOM 2067 N ILE A 131 -2.541 -7.050 -11.236 1.00 0.00 N ATOM 2068 CA ILE A 131 -2.248 -5.624 -11.202 1.00 0.00 C ATOM 2069 C ILE A 131 -0.741 -5.433 -11.063 1.00 0.00 C ATOM 2070 O ILE A 131 -0.174 -4.442 -11.524 1.00 0.00 O ATOM 2071 CB ILE A 131 -2.995 -4.932 -10.043 1.00 0.00 C ATOM 2072 CG1 ILE A 131 -4.499 -5.021 -10.277 1.00 0.00 C ATOM 2073 CG2 ILE A 131 -2.592 -3.470 -9.890 1.00 0.00 C ATOM 2074 CD1 ILE A 131 -5.299 -4.838 -9.015 1.00 0.00 C ATOM 0 H ILE A 131 -2.710 -7.464 -10.319 1.00 0.00 H new ATOM 0 HA ILE A 131 -2.591 -5.165 -12.129 1.00 0.00 H new ATOM 0 HB ILE A 131 -2.723 -5.449 -9.123 1.00 0.00 H new ATOM 0 HG12 ILE A 131 -4.795 -4.263 -11.002 1.00 0.00 H new ATOM 0 HG13 ILE A 131 -4.737 -5.990 -10.715 1.00 0.00 H new ATOM 0 HG21 ILE A 131 -3.144 -3.025 -9.062 1.00 0.00 H new ATOM 0 HG22 ILE A 131 -1.523 -3.406 -9.689 1.00 0.00 H new ATOM 0 HG23 ILE A 131 -2.821 -2.931 -10.810 1.00 0.00 H new ATOM 0 HD11 ILE A 131 -6.362 -4.911 -9.244 1.00 0.00 H new ATOM 0 HD12 ILE A 131 -5.028 -5.612 -8.297 1.00 0.00 H new ATOM 0 HD13 ILE A 131 -5.087 -3.858 -8.589 1.00 0.00 H new ATOM 2086 N LEU A 132 -0.102 -6.422 -10.439 1.00 0.00 N ATOM 2087 CA LEU A 132 1.338 -6.421 -10.245 1.00 0.00 C ATOM 2088 C LEU A 132 2.055 -6.450 -11.591 1.00 0.00 C ATOM 2089 O LEU A 132 3.028 -5.730 -11.806 1.00 0.00 O ATOM 2090 CB LEU A 132 1.745 -7.642 -9.414 1.00 0.00 C ATOM 2091 CG LEU A 132 2.421 -7.334 -8.080 1.00 0.00 C ATOM 2092 CD1 LEU A 132 1.387 -6.979 -7.024 1.00 0.00 C ATOM 2093 CD2 LEU A 132 3.258 -8.520 -7.632 1.00 0.00 C ATOM 0 H LEU A 132 -0.572 -7.243 -10.056 1.00 0.00 H new ATOM 0 HA LEU A 132 1.623 -5.511 -9.717 1.00 0.00 H new ATOM 0 HB2 LEU A 132 0.855 -8.241 -9.221 1.00 0.00 H new ATOM 0 HB3 LEU A 132 2.420 -8.257 -10.010 1.00 0.00 H new ATOM 0 HG LEU A 132 3.078 -6.474 -8.213 1.00 0.00 H new ATOM 0 HD11 LEU A 132 1.889 -6.763 -6.081 1.00 0.00 H new ATOM 0 HD12 LEU A 132 0.825 -6.102 -7.345 1.00 0.00 H new ATOM 0 HD13 LEU A 132 0.704 -7.817 -6.887 1.00 0.00 H new ATOM 0 HD21 LEU A 132 3.736 -8.289 -6.680 1.00 0.00 H new ATOM 0 HD22 LEU A 132 2.617 -9.394 -7.514 1.00 0.00 H new ATOM 0 HD23 LEU A 132 4.023 -8.729 -8.380 1.00 0.00 H new ATOM 2105 N ASP A 133 1.562 -7.294 -12.493 1.00 0.00 N ATOM 2106 CA ASP A 133 2.149 -7.421 -13.821 1.00 0.00 C ATOM 2107 C ASP A 133 1.972 -6.133 -14.617 1.00 0.00 C ATOM 2108 O ASP A 133 2.840 -5.748 -15.399 1.00 0.00 O ATOM 2109 CB ASP A 133 1.516 -8.596 -14.572 1.00 0.00 C ATOM 2110 CG ASP A 133 2.553 -9.520 -15.180 1.00 0.00 C ATOM 2111 OD1 ASP A 133 3.383 -9.037 -15.978 1.00 0.00 O ATOM 2112 OD2 ASP A 133 2.534 -10.727 -14.857 1.00 0.00 O ATOM 0 H ASP A 133 0.758 -7.899 -12.328 1.00 0.00 H new ATOM 0 HA ASP A 133 3.216 -7.610 -13.705 1.00 0.00 H new ATOM 0 HB2 ASP A 133 0.885 -9.163 -13.888 1.00 0.00 H new ATOM 0 HB3 ASP A 133 0.868 -8.213 -15.360 1.00 0.00 H new ATOM 2117 N SER A 134 0.838 -5.470 -14.410 1.00 0.00 N ATOM 2118 CA SER A 134 0.543 -4.223 -15.104 1.00 0.00 C ATOM 2119 C SER A 134 1.184 -3.033 -14.392 1.00 0.00 C ATOM 2120 O SER A 134 1.386 -1.977 -14.992 1.00 0.00 O ATOM 2121 CB SER A 134 -0.970 -4.017 -15.201 1.00 0.00 C ATOM 2122 OG SER A 134 -1.279 -2.789 -15.837 1.00 0.00 O ATOM 0 H SER A 134 0.108 -5.777 -13.766 1.00 0.00 H new ATOM 0 HA SER A 134 0.962 -4.289 -16.108 1.00 0.00 H new ATOM 0 HB2 SER A 134 -1.417 -4.841 -15.758 1.00 0.00 H new ATOM 0 HB3 SER A 134 -1.407 -4.033 -14.202 1.00 0.00 H new ATOM 0 HG SER A 134 -2.252 -2.683 -15.888 1.00 0.00 H new ATOM 2128 N PHE A 135 1.504 -3.212 -13.113 1.00 0.00 N ATOM 2129 CA PHE A 135 2.123 -2.154 -12.321 1.00 0.00 C ATOM 2130 C PHE A 135 3.339 -1.572 -13.041 1.00 0.00 C ATOM 2131 O PHE A 135 3.430 -0.361 -13.244 1.00 0.00 O ATOM 2132 CB PHE A 135 2.522 -2.698 -10.941 1.00 0.00 C ATOM 2133 CG PHE A 135 3.662 -1.966 -10.288 1.00 0.00 C ATOM 2134 CD1 PHE A 135 4.756 -2.660 -9.797 1.00 0.00 C ATOM 2135 CD2 PHE A 135 3.640 -0.587 -10.167 1.00 0.00 C ATOM 2136 CE1 PHE A 135 5.807 -1.992 -9.197 1.00 0.00 C ATOM 2137 CE2 PHE A 135 4.687 0.087 -9.569 1.00 0.00 C ATOM 2138 CZ PHE A 135 5.771 -0.617 -9.083 1.00 0.00 C ATOM 0 H PHE A 135 1.344 -4.081 -12.603 1.00 0.00 H new ATOM 0 HA PHE A 135 1.397 -1.351 -12.188 1.00 0.00 H new ATOM 0 HB2 PHE A 135 1.654 -2.655 -10.283 1.00 0.00 H new ATOM 0 HB3 PHE A 135 2.793 -3.749 -11.043 1.00 0.00 H new ATOM 0 HD1 PHE A 135 4.788 -3.736 -9.884 1.00 0.00 H new ATOM 0 HD2 PHE A 135 2.794 -0.032 -10.545 1.00 0.00 H new ATOM 0 HE1 PHE A 135 6.654 -2.545 -8.818 1.00 0.00 H new ATOM 0 HE2 PHE A 135 4.658 1.163 -9.482 1.00 0.00 H new ATOM 0 HZ PHE A 135 6.590 -0.092 -8.614 1.00 0.00 H new