USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 630 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 47 TYR OH : rot 150:sc= -0.353 USER MOD Set 1.2: A 51 LYS NZ :NH3+ -134:sc= 0.264 (180deg=-0.791) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot -27:sc= 0.609 USER MOD Single : A 15 LYS NZ :NH3+ -133:sc= -0.197 (180deg=-2.41) USER MOD Single : A 25 HIS : no HD1:sc= -0.791 K(o=-0.79,f=-1.5) USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.101 USER MOD Single : A 36 GLN :FLIP amide:sc= 0.771 F(o=-0.0029,f=0.77) USER MOD Single : A 40 SER OG : rot 180:sc= 0.0443 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -2.48 K(o=-2.5,f=-3.2!) USER MOD Single : A 49 HIS : no HD1:sc= -0.326 X(o=-0.33,f=-0.03) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 159:sc= -0.0623 (180deg=-0.581) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot 115:sc= 0.978 USER MOD Single : A 62 LYS NZ :NH3+ 156:sc= 0.0497 (180deg=-0.504) USER MOD Single : A 63 HIS : no HE2:sc= 0.333 K(o=0.33,f=-1.7) USER MOD Single : A 65 ASN :FLIP amide:sc= -0.194 F(o=-0.94,f=-0.19) USER MOD Single : A 66 LYS NZ :NH3+ -176:sc= -1.32 (180deg=-1.34) USER MOD Single : A 67 ASN : amide:sc= -1.32 K(o=-1.3,f=-2.7!) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot -13:sc= 0.523 USER MOD Single : A 79 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.19) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot -150:sc= -0.249 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 109 N ASP A 7 -9.507 0.600 14.051 1.00 1.00 N ATOM 110 CA ASP A 7 -8.579 -0.389 13.530 1.00 1.00 C ATOM 111 C ASP A 7 -8.173 -0.004 12.117 1.00 1.00 C ATOM 112 O ASP A 7 -8.958 0.578 11.364 1.00 1.00 O ATOM 113 CB ASP A 7 -9.245 -1.778 13.533 1.00 1.00 C ATOM 114 CG ASP A 7 -10.525 -1.777 12.689 1.00 1.00 C ATOM 115 OD1 ASP A 7 -10.921 -0.717 12.235 1.00 1.00 O ATOM 116 OD2 ASP A 7 -11.094 -2.843 12.519 1.00 1.00 O ATOM 0 HA ASP A 7 -7.690 -0.425 14.160 1.00 1.00 H new ATOM 0 HB2 ASP A 7 -8.548 -2.520 13.142 1.00 1.00 H new ATOM 0 HB3 ASP A 7 -9.481 -2.070 14.556 1.00 1.00 H new ATOM 121 N GLY A 8 -6.949 -0.351 11.764 1.00 1.00 N ATOM 122 CA GLY A 8 -6.414 -0.068 10.438 1.00 1.00 C ATOM 123 C GLY A 8 -7.111 -0.930 9.398 1.00 1.00 C ATOM 124 O GLY A 8 -8.202 -1.448 9.644 1.00 1.00 O ATOM 0 H GLY A 8 -6.298 -0.835 12.382 1.00 1.00 H new ATOM 0 HA2 GLY A 8 -6.552 0.987 10.199 1.00 1.00 H new ATOM 0 HA3 GLY A 8 -5.341 -0.261 10.422 1.00 1.00 H new ATOM 128 N VAL A 9 -6.464 -1.083 8.236 1.00 1.00 N ATOM 129 CA VAL A 9 -7.003 -1.898 7.126 1.00 1.00 C ATOM 130 C VAL A 9 -6.115 -3.131 6.923 1.00 1.00 C ATOM 131 O VAL A 9 -4.887 -3.038 6.909 1.00 1.00 O ATOM 132 CB VAL A 9 -7.066 -1.060 5.825 1.00 1.00 C ATOM 133 CG1 VAL A 9 -8.204 -0.029 5.914 1.00 1.00 C ATOM 134 CG2 VAL A 9 -5.734 -0.324 5.617 1.00 1.00 C ATOM 0 H VAL A 9 -5.561 -0.653 8.034 1.00 1.00 H new ATOM 0 HA VAL A 9 -8.014 -2.220 7.374 1.00 1.00 H new ATOM 0 HB VAL A 9 -7.251 -1.730 4.985 1.00 1.00 H new ATOM 0 HG11 VAL A 9 -8.239 0.555 4.994 1.00 1.00 H new ATOM 0 HG12 VAL A 9 -9.154 -0.546 6.052 1.00 1.00 H new ATOM 0 HG13 VAL A 9 -8.027 0.636 6.759 1.00 1.00 H new ATOM 0 HG21 VAL A 9 -5.783 0.264 4.701 1.00 1.00 H new ATOM 0 HG22 VAL A 9 -5.548 0.337 6.463 1.00 1.00 H new ATOM 0 HG23 VAL A 9 -4.925 -1.051 5.539 1.00 1.00 H new ATOM 144 N TYR A 10 -6.756 -4.297 6.815 1.00 1.00 N ATOM 145 CA TYR A 10 -6.049 -5.575 6.655 1.00 1.00 C ATOM 146 C TYR A 10 -5.881 -5.917 5.166 1.00 1.00 C ATOM 147 O TYR A 10 -6.838 -5.868 4.396 1.00 1.00 O ATOM 148 CB TYR A 10 -6.868 -6.704 7.390 1.00 1.00 C ATOM 149 CG TYR A 10 -6.056 -7.344 8.531 1.00 1.00 C ATOM 150 CD1 TYR A 10 -5.540 -6.530 9.545 1.00 1.00 C ATOM 151 CD2 TYR A 10 -5.846 -8.728 8.573 1.00 1.00 C ATOM 152 CE1 TYR A 10 -4.814 -7.097 10.600 1.00 1.00 C ATOM 153 CE2 TYR A 10 -5.120 -9.296 9.627 1.00 1.00 C ATOM 154 CZ TYR A 10 -4.604 -8.480 10.642 1.00 1.00 C ATOM 155 OH TYR A 10 -3.889 -9.042 11.681 1.00 1.00 O ATOM 0 H TYR A 10 -7.772 -4.385 6.835 1.00 1.00 H new ATOM 0 HA TYR A 10 -5.054 -5.498 7.094 1.00 1.00 H new ATOM 0 HB2 TYR A 10 -7.790 -6.283 7.791 1.00 1.00 H new ATOM 0 HB3 TYR A 10 -7.155 -7.472 6.672 1.00 1.00 H new ATOM 0 HD1 TYR A 10 -5.702 -5.463 9.514 1.00 1.00 H new ATOM 0 HD2 TYR A 10 -6.245 -9.358 7.791 1.00 1.00 H new ATOM 0 HE1 TYR A 10 -4.416 -6.467 11.381 1.00 1.00 H new ATOM 0 HE2 TYR A 10 -4.958 -10.363 9.657 1.00 1.00 H new ATOM 0 HH TYR A 10 -3.838 -10.013 11.556 1.00 1.00 H new ATOM 165 N VAL A 11 -4.656 -6.301 4.791 1.00 1.00 N ATOM 166 CA VAL A 11 -4.361 -6.699 3.416 1.00 1.00 C ATOM 167 C VAL A 11 -4.893 -8.119 3.229 1.00 1.00 C ATOM 168 O VAL A 11 -4.697 -8.976 4.091 1.00 1.00 O ATOM 169 CB VAL A 11 -2.846 -6.640 3.151 1.00 1.00 C ATOM 170 CG1 VAL A 11 -2.542 -7.049 1.694 1.00 1.00 C ATOM 171 CG2 VAL A 11 -2.345 -5.207 3.396 1.00 1.00 C ATOM 0 H VAL A 11 -3.856 -6.344 5.422 1.00 1.00 H new ATOM 0 HA VAL A 11 -4.837 -6.021 2.708 1.00 1.00 H new ATOM 0 HB VAL A 11 -2.339 -7.331 3.824 1.00 1.00 H new ATOM 0 HG11 VAL A 11 -1.467 -7.003 1.520 1.00 1.00 H new ATOM 0 HG12 VAL A 11 -2.894 -8.066 1.520 1.00 1.00 H new ATOM 0 HG13 VAL A 11 -3.050 -6.368 1.011 1.00 1.00 H new ATOM 0 HG21 VAL A 11 -1.272 -5.160 3.210 1.00 1.00 H new ATOM 0 HG22 VAL A 11 -2.861 -4.521 2.724 1.00 1.00 H new ATOM 0 HG23 VAL A 11 -2.547 -4.923 4.429 1.00 1.00 H new ATOM 181 N LEU A 12 -5.586 -8.372 2.113 1.00 1.00 N ATOM 182 CA LEU A 12 -6.163 -9.699 1.848 1.00 1.00 C ATOM 183 C LEU A 12 -5.103 -10.664 1.288 1.00 1.00 C ATOM 184 O LEU A 12 -4.936 -11.779 1.781 1.00 1.00 O ATOM 185 CB LEU A 12 -7.340 -9.536 0.836 1.00 1.00 C ATOM 186 CG LEU A 12 -8.449 -10.594 1.065 1.00 1.00 C ATOM 187 CD1 LEU A 12 -9.570 -10.384 0.034 1.00 1.00 C ATOM 188 CD2 LEU A 12 -7.872 -12.024 0.940 1.00 1.00 C ATOM 0 H LEU A 12 -5.761 -7.682 1.382 1.00 1.00 H new ATOM 0 HA LEU A 12 -6.530 -10.125 2.782 1.00 1.00 H new ATOM 0 HB2 LEU A 12 -7.766 -8.537 0.932 1.00 1.00 H new ATOM 0 HB3 LEU A 12 -6.959 -9.624 -0.181 1.00 1.00 H new ATOM 0 HG LEU A 12 -8.851 -10.476 2.071 1.00 1.00 H new ATOM 0 HD11 LEU A 12 -10.353 -11.126 0.191 1.00 1.00 H new ATOM 0 HD12 LEU A 12 -9.989 -9.385 0.151 1.00 1.00 H new ATOM 0 HD13 LEU A 12 -9.164 -10.492 -0.972 1.00 1.00 H new ATOM 0 HD21 LEU A 12 -8.666 -12.752 1.104 1.00 1.00 H new ATOM 0 HD22 LEU A 12 -7.454 -12.162 -0.057 1.00 1.00 H new ATOM 0 HD23 LEU A 12 -7.089 -12.167 1.685 1.00 1.00 H new ATOM 200 N SER A 13 -4.396 -10.221 0.243 1.00 1.00 N ATOM 201 CA SER A 13 -3.370 -11.054 -0.392 1.00 1.00 C ATOM 202 C SER A 13 -2.442 -10.219 -1.271 1.00 1.00 C ATOM 203 O SER A 13 -2.784 -9.110 -1.686 1.00 1.00 O ATOM 204 CB SER A 13 -4.050 -12.128 -1.251 1.00 1.00 C ATOM 205 OG SER A 13 -4.912 -12.906 -0.435 1.00 1.00 O ATOM 0 H SER A 13 -4.514 -9.299 -0.178 1.00 1.00 H new ATOM 0 HA SER A 13 -2.772 -11.518 0.393 1.00 1.00 H new ATOM 0 HB2 SER A 13 -4.617 -11.661 -2.056 1.00 1.00 H new ATOM 0 HB3 SER A 13 -3.299 -12.766 -1.718 1.00 1.00 H new ATOM 0 HG SER A 13 -4.585 -12.896 0.489 1.00 1.00 H new ATOM 211 N VAL A 14 -1.261 -10.784 -1.542 1.00 1.00 N ATOM 212 CA VAL A 14 -0.228 -10.138 -2.369 1.00 1.00 C ATOM 213 C VAL A 14 -0.124 -10.876 -3.712 1.00 1.00 C ATOM 214 O VAL A 14 -0.115 -12.105 -3.752 1.00 1.00 O ATOM 215 CB VAL A 14 1.135 -10.196 -1.635 1.00 1.00 C ATOM 216 CG1 VAL A 14 2.197 -9.386 -2.404 1.00 1.00 C ATOM 217 CG2 VAL A 14 0.981 -9.620 -0.217 1.00 1.00 C ATOM 0 H VAL A 14 -0.991 -11.704 -1.195 1.00 1.00 H new ATOM 0 HA VAL A 14 -0.496 -9.096 -2.544 1.00 1.00 H new ATOM 0 HB VAL A 14 1.458 -11.236 -1.579 1.00 1.00 H new ATOM 0 HG11 VAL A 14 3.148 -9.438 -1.874 1.00 1.00 H new ATOM 0 HG12 VAL A 14 2.316 -9.800 -3.405 1.00 1.00 H new ATOM 0 HG13 VAL A 14 1.879 -8.346 -2.477 1.00 1.00 H new ATOM 0 HG21 VAL A 14 1.940 -9.661 0.299 1.00 1.00 H new ATOM 0 HG22 VAL A 14 0.647 -8.584 -0.279 1.00 1.00 H new ATOM 0 HG23 VAL A 14 0.247 -10.206 0.336 1.00 1.00 H new ATOM 227 N LYS A 15 -0.066 -10.114 -4.804 1.00 1.00 N ATOM 228 CA LYS A 15 0.026 -10.703 -6.149 1.00 1.00 C ATOM 229 C LYS A 15 1.341 -11.484 -6.311 1.00 1.00 C ATOM 230 O LYS A 15 1.377 -12.514 -6.978 1.00 1.00 O ATOM 231 CB LYS A 15 -0.102 -9.586 -7.216 1.00 1.00 C ATOM 232 CG LYS A 15 -1.584 -9.167 -7.403 1.00 1.00 C ATOM 233 CD LYS A 15 -2.208 -8.712 -6.057 1.00 1.00 C ATOM 234 CE LYS A 15 -3.550 -8.005 -6.300 1.00 1.00 C ATOM 235 NZ LYS A 15 -3.328 -6.795 -7.139 1.00 1.00 N ATOM 0 H LYS A 15 -0.081 -9.094 -4.790 1.00 1.00 H new ATOM 0 HA LYS A 15 -0.792 -11.410 -6.288 1.00 1.00 H new ATOM 0 HB2 LYS A 15 0.490 -8.721 -6.916 1.00 1.00 H new ATOM 0 HB3 LYS A 15 0.304 -9.936 -8.165 1.00 1.00 H new ATOM 0 HG2 LYS A 15 -1.648 -8.357 -8.130 1.00 1.00 H new ATOM 0 HG3 LYS A 15 -2.154 -10.004 -7.808 1.00 1.00 H new ATOM 0 HD2 LYS A 15 -2.357 -9.575 -5.408 1.00 1.00 H new ATOM 0 HD3 LYS A 15 -1.523 -8.039 -5.541 1.00 1.00 H new ATOM 0 HE2 LYS A 15 -4.245 -8.682 -6.796 1.00 1.00 H new ATOM 0 HE3 LYS A 15 -4.003 -7.723 -5.349 1.00 1.00 H new ATOM 0 HZ1 LYS A 15 -3.831 -5.986 -6.722 1.00 1.00 H new ATOM 0 HZ2 LYS A 15 -2.310 -6.585 -7.182 1.00 1.00 H new ATOM 0 HZ3 LYS A 15 -3.687 -6.968 -8.100 1.00 1.00 H new ATOM 249 N GLU A 16 2.392 -10.949 -5.703 1.00 1.00 N ATOM 250 CA GLU A 16 3.752 -11.520 -5.728 1.00 1.00 C ATOM 251 C GLU A 16 4.426 -11.327 -7.090 1.00 1.00 C ATOM 252 O GLU A 16 5.325 -12.084 -7.458 1.00 1.00 O ATOM 253 CB GLU A 16 3.758 -13.014 -5.348 1.00 1.00 C ATOM 254 CG GLU A 16 3.185 -13.205 -3.931 1.00 1.00 C ATOM 255 CD GLU A 16 3.098 -14.695 -3.573 1.00 1.00 C ATOM 256 OE1 GLU A 16 3.419 -15.517 -4.415 1.00 1.00 O ATOM 257 OE2 GLU A 16 2.687 -14.995 -2.465 1.00 1.00 O ATOM 0 H GLU A 16 2.331 -10.086 -5.163 1.00 1.00 H new ATOM 0 HA GLU A 16 4.325 -10.974 -4.979 1.00 1.00 H new ATOM 0 HB2 GLU A 16 3.167 -13.582 -6.067 1.00 1.00 H new ATOM 0 HB3 GLU A 16 4.775 -13.404 -5.393 1.00 1.00 H new ATOM 0 HG2 GLU A 16 3.815 -12.689 -3.207 1.00 1.00 H new ATOM 0 HG3 GLU A 16 2.195 -12.754 -3.871 1.00 1.00 H new ATOM 264 N ASP A 17 4.006 -10.293 -7.823 1.00 1.00 N ATOM 265 CA ASP A 17 4.583 -9.969 -9.141 1.00 1.00 C ATOM 266 C ASP A 17 4.582 -8.449 -9.317 1.00 1.00 C ATOM 267 O ASP A 17 4.357 -7.934 -10.413 1.00 1.00 O ATOM 268 CB ASP A 17 3.754 -10.631 -10.259 1.00 1.00 C ATOM 269 CG ASP A 17 4.407 -10.393 -11.621 1.00 1.00 C ATOM 270 OD1 ASP A 17 5.508 -10.880 -11.817 1.00 1.00 O ATOM 271 OD2 ASP A 17 3.804 -9.718 -12.439 1.00 1.00 O ATOM 0 H ASP A 17 3.264 -9.659 -7.528 1.00 1.00 H new ATOM 0 HA ASP A 17 5.604 -10.347 -9.199 1.00 1.00 H new ATOM 0 HB2 ASP A 17 3.669 -11.701 -10.072 1.00 1.00 H new ATOM 0 HB3 ASP A 17 2.742 -10.226 -10.258 1.00 1.00 H new ATOM 276 N VAL A 18 4.808 -7.731 -8.208 1.00 1.00 N ATOM 277 CA VAL A 18 4.803 -6.255 -8.203 1.00 1.00 C ATOM 278 C VAL A 18 5.851 -5.722 -7.208 1.00 1.00 C ATOM 279 O VAL A 18 6.237 -6.442 -6.286 1.00 1.00 O ATOM 280 CB VAL A 18 3.380 -5.770 -7.789 1.00 1.00 C ATOM 281 CG1 VAL A 18 2.382 -5.980 -8.948 1.00 1.00 C ATOM 282 CG2 VAL A 18 2.902 -6.558 -6.548 1.00 1.00 C ATOM 0 H VAL A 18 4.998 -8.148 -7.297 1.00 1.00 H new ATOM 0 HA VAL A 18 5.053 -5.880 -9.196 1.00 1.00 H new ATOM 0 HB VAL A 18 3.428 -4.707 -7.552 1.00 1.00 H new ATOM 0 HG11 VAL A 18 1.393 -5.637 -8.644 1.00 1.00 H new ATOM 0 HG12 VAL A 18 2.711 -5.413 -9.819 1.00 1.00 H new ATOM 0 HG13 VAL A 18 2.336 -7.039 -9.201 1.00 1.00 H new ATOM 0 HG21 VAL A 18 1.907 -6.217 -6.261 1.00 1.00 H new ATOM 0 HG22 VAL A 18 2.867 -7.622 -6.784 1.00 1.00 H new ATOM 0 HG23 VAL A 18 3.594 -6.392 -5.723 1.00 1.00 H new ATOM 292 N PRO A 19 6.321 -4.485 -7.351 1.00 1.00 N ATOM 293 CA PRO A 19 7.338 -3.909 -6.403 1.00 1.00 C ATOM 294 C PRO A 19 6.918 -4.073 -4.930 1.00 1.00 C ATOM 295 O PRO A 19 7.733 -3.923 -4.021 1.00 1.00 O ATOM 296 CB PRO A 19 7.452 -2.415 -6.839 1.00 1.00 C ATOM 297 CG PRO A 19 6.235 -2.161 -7.686 1.00 1.00 C ATOM 298 CD PRO A 19 5.982 -3.491 -8.405 1.00 1.00 C ATOM 0 HA PRO A 19 8.298 -4.422 -6.454 1.00 1.00 H new ATOM 0 HB2 PRO A 19 7.476 -1.752 -5.974 1.00 1.00 H new ATOM 0 HB3 PRO A 19 8.368 -2.237 -7.402 1.00 1.00 H new ATOM 0 HG2 PRO A 19 5.380 -1.871 -7.075 1.00 1.00 H new ATOM 0 HG3 PRO A 19 6.408 -1.353 -8.396 1.00 1.00 H new ATOM 0 HD2 PRO A 19 4.948 -3.585 -8.736 1.00 1.00 H new ATOM 0 HD3 PRO A 19 6.611 -3.603 -9.288 1.00 1.00 H new ATOM 306 N ALA A 20 5.642 -4.388 -4.711 1.00 1.00 N ATOM 307 CA ALA A 20 5.116 -4.575 -3.352 1.00 1.00 C ATOM 308 C ALA A 20 5.783 -5.782 -2.676 1.00 1.00 C ATOM 309 O ALA A 20 6.003 -5.788 -1.465 1.00 1.00 O ATOM 310 CB ALA A 20 3.569 -4.778 -3.413 1.00 1.00 C ATOM 0 H ALA A 20 4.953 -4.519 -5.451 1.00 1.00 H new ATOM 0 HA ALA A 20 5.340 -3.686 -2.762 1.00 1.00 H new ATOM 0 HB1 ALA A 20 3.180 -4.917 -2.404 1.00 1.00 H new ATOM 0 HB2 ALA A 20 3.104 -3.901 -3.864 1.00 1.00 H new ATOM 0 HB3 ALA A 20 3.341 -5.658 -4.014 1.00 1.00 H new ATOM 316 N ALA A 21 6.075 -6.806 -3.472 1.00 1.00 N ATOM 317 CA ALA A 21 6.682 -8.026 -2.965 1.00 1.00 C ATOM 318 C ALA A 21 8.061 -7.754 -2.371 1.00 1.00 C ATOM 319 O ALA A 21 8.912 -7.126 -3.002 1.00 1.00 O ATOM 320 CB ALA A 21 6.803 -9.035 -4.114 1.00 1.00 C ATOM 0 H ALA A 21 5.899 -6.812 -4.477 1.00 1.00 H new ATOM 0 HA ALA A 21 6.050 -8.428 -2.173 1.00 1.00 H new ATOM 0 HB1 ALA A 21 7.257 -9.954 -3.745 1.00 1.00 H new ATOM 0 HB2 ALA A 21 5.812 -9.254 -4.512 1.00 1.00 H new ATOM 0 HB3 ALA A 21 7.426 -8.614 -4.904 1.00 1.00 H new ATOM 326 N GLY A 22 8.272 -8.244 -1.149 1.00 1.00 N ATOM 327 CA GLY A 22 9.549 -8.077 -0.440 1.00 1.00 C ATOM 328 C GLY A 22 9.521 -6.846 0.459 1.00 1.00 C ATOM 329 O GLY A 22 10.453 -6.622 1.235 1.00 1.00 O ATOM 0 H GLY A 22 7.571 -8.765 -0.623 1.00 1.00 H new ATOM 0 HA2 GLY A 22 9.754 -8.964 0.159 1.00 1.00 H new ATOM 0 HA3 GLY A 22 10.360 -7.985 -1.162 1.00 1.00 H new ATOM 333 N ILE A 23 8.447 -6.047 0.350 1.00 1.00 N ATOM 334 CA ILE A 23 8.287 -4.819 1.156 1.00 1.00 C ATOM 335 C ILE A 23 7.083 -4.947 2.096 1.00 1.00 C ATOM 336 O ILE A 23 7.190 -4.689 3.296 1.00 1.00 O ATOM 337 CB ILE A 23 8.096 -3.603 0.216 1.00 1.00 C ATOM 338 CG1 ILE A 23 9.256 -3.568 -0.812 1.00 1.00 C ATOM 339 CG2 ILE A 23 8.097 -2.298 1.040 1.00 1.00 C ATOM 340 CD1 ILE A 23 9.084 -2.409 -1.810 1.00 1.00 C ATOM 0 H ILE A 23 7.673 -6.228 -0.289 1.00 1.00 H new ATOM 0 HA ILE A 23 9.183 -4.674 1.760 1.00 1.00 H new ATOM 0 HB ILE A 23 7.143 -3.694 -0.306 1.00 1.00 H new ATOM 0 HG12 ILE A 23 10.206 -3.462 -0.288 1.00 1.00 H new ATOM 0 HG13 ILE A 23 9.294 -4.514 -1.353 1.00 1.00 H new ATOM 0 HG21 ILE A 23 7.962 -1.446 0.373 1.00 1.00 H new ATOM 0 HG22 ILE A 23 7.283 -2.324 1.764 1.00 1.00 H new ATOM 0 HG23 ILE A 23 9.047 -2.200 1.566 1.00 1.00 H new ATOM 0 HD11 ILE A 23 9.913 -2.412 -2.517 1.00 1.00 H new ATOM 0 HD12 ILE A 23 8.145 -2.531 -2.351 1.00 1.00 H new ATOM 0 HD13 ILE A 23 9.071 -1.462 -1.270 1.00 1.00 H new ATOM 352 N LEU A 24 5.930 -5.339 1.530 1.00 1.00 N ATOM 353 CA LEU A 24 4.672 -5.499 2.289 1.00 1.00 C ATOM 354 C LEU A 24 4.263 -6.970 2.323 1.00 1.00 C ATOM 355 O LEU A 24 4.627 -7.749 1.441 1.00 1.00 O ATOM 356 CB LEU A 24 3.561 -4.642 1.624 1.00 1.00 C ATOM 357 CG LEU A 24 3.863 -3.118 1.772 1.00 1.00 C ATOM 358 CD1 LEU A 24 3.096 -2.317 0.697 1.00 1.00 C ATOM 359 CD2 LEU A 24 3.423 -2.609 3.166 1.00 1.00 C ATOM 0 H LEU A 24 5.840 -5.554 0.537 1.00 1.00 H new ATOM 0 HA LEU A 24 4.819 -5.161 3.315 1.00 1.00 H new ATOM 0 HB2 LEU A 24 3.482 -4.899 0.568 1.00 1.00 H new ATOM 0 HB3 LEU A 24 2.598 -4.871 2.081 1.00 1.00 H new ATOM 0 HG LEU A 24 4.937 -2.976 1.651 1.00 1.00 H new ATOM 0 HD11 LEU A 24 3.314 -1.255 0.810 1.00 1.00 H new ATOM 0 HD12 LEU A 24 3.407 -2.648 -0.294 1.00 1.00 H new ATOM 0 HD13 LEU A 24 2.025 -2.482 0.815 1.00 1.00 H new ATOM 0 HD21 LEU A 24 3.642 -1.544 3.250 1.00 1.00 H new ATOM 0 HD22 LEU A 24 2.352 -2.771 3.291 1.00 1.00 H new ATOM 0 HD23 LEU A 24 3.965 -3.153 3.940 1.00 1.00 H new ATOM 371 N HIS A 25 3.517 -7.344 3.368 1.00 1.00 N ATOM 372 CA HIS A 25 3.065 -8.728 3.550 1.00 1.00 C ATOM 373 C HIS A 25 1.665 -8.771 4.160 1.00 1.00 C ATOM 374 O HIS A 25 1.219 -7.822 4.802 1.00 1.00 O ATOM 375 CB HIS A 25 4.047 -9.454 4.477 1.00 1.00 C ATOM 376 CG HIS A 25 5.430 -9.380 3.889 1.00 1.00 C ATOM 377 ND1 HIS A 25 6.311 -8.357 4.201 1.00 1.00 N ATOM 378 CD2 HIS A 25 6.098 -10.192 3.004 1.00 1.00 C ATOM 379 CE1 HIS A 25 7.445 -8.581 3.517 1.00 1.00 C ATOM 380 NE2 HIS A 25 7.375 -9.683 2.769 1.00 1.00 N ATOM 0 H HIS A 25 3.213 -6.705 4.103 1.00 1.00 H new ATOM 0 HA HIS A 25 3.029 -9.217 2.576 1.00 1.00 H new ATOM 0 HB2 HIS A 25 4.035 -8.999 5.467 1.00 1.00 H new ATOM 0 HB3 HIS A 25 3.747 -10.495 4.601 1.00 1.00 H new ATOM 0 HD2 HIS A 25 5.695 -11.089 2.558 1.00 1.00 H new ATOM 0 HE1 HIS A 25 8.314 -7.942 3.567 1.00 1.00 H new ATOM 0 HE2 HIS A 25 8.096 -10.068 2.160 1.00 1.00 H new ATOM 389 N ALA A 26 0.970 -9.883 3.942 1.00 1.00 N ATOM 390 CA ALA A 26 -0.384 -10.049 4.466 1.00 1.00 C ATOM 391 C ALA A 26 -0.420 -9.832 5.983 1.00 1.00 C ATOM 392 O ALA A 26 0.488 -10.254 6.701 1.00 1.00 O ATOM 393 CB ALA A 26 -0.892 -11.455 4.132 1.00 1.00 C ATOM 0 H ALA A 26 1.319 -10.680 3.409 1.00 1.00 H new ATOM 0 HA ALA A 26 -1.028 -9.302 4.001 1.00 1.00 H new ATOM 0 HB1 ALA A 26 -1.902 -11.579 4.523 1.00 1.00 H new ATOM 0 HB2 ALA A 26 -0.902 -11.591 3.051 1.00 1.00 H new ATOM 0 HB3 ALA A 26 -0.234 -12.197 4.585 1.00 1.00 H new ATOM 399 N GLY A 27 -1.477 -9.164 6.463 1.00 1.00 N ATOM 400 CA GLY A 27 -1.637 -8.880 7.897 1.00 1.00 C ATOM 401 C GLY A 27 -1.036 -7.526 8.264 1.00 1.00 C ATOM 402 O GLY A 27 -1.147 -7.083 9.408 1.00 1.00 O ATOM 0 H GLY A 27 -2.235 -8.810 5.880 1.00 1.00 H new ATOM 0 HA2 GLY A 27 -2.696 -8.893 8.157 1.00 1.00 H new ATOM 0 HA3 GLY A 27 -1.156 -9.664 8.481 1.00 1.00 H new ATOM 406 N ASP A 28 -0.396 -6.863 7.295 1.00 1.00 N ATOM 407 CA ASP A 28 0.211 -5.555 7.553 1.00 1.00 C ATOM 408 C ASP A 28 -0.894 -4.523 7.820 1.00 1.00 C ATOM 409 O ASP A 28 -1.792 -4.336 7.000 1.00 1.00 O ATOM 410 CB ASP A 28 1.070 -5.120 6.338 1.00 1.00 C ATOM 411 CG ASP A 28 2.405 -5.881 6.298 1.00 1.00 C ATOM 412 OD1 ASP A 28 2.540 -6.846 7.033 1.00 1.00 O ATOM 413 OD2 ASP A 28 3.265 -5.481 5.530 1.00 1.00 O ATOM 0 H ASP A 28 -0.286 -7.204 6.340 1.00 1.00 H new ATOM 0 HA ASP A 28 0.857 -5.622 8.428 1.00 1.00 H new ATOM 0 HB2 ASP A 28 0.518 -5.301 5.416 1.00 1.00 H new ATOM 0 HB3 ASP A 28 1.261 -4.048 6.390 1.00 1.00 H new ATOM 418 N LEU A 29 -0.810 -3.843 8.971 1.00 1.00 N ATOM 419 CA LEU A 29 -1.791 -2.811 9.349 1.00 1.00 C ATOM 420 C LEU A 29 -1.241 -1.436 8.971 1.00 1.00 C ATOM 421 O LEU A 29 -0.162 -1.048 9.424 1.00 1.00 O ATOM 422 CB LEU A 29 -2.015 -2.866 10.894 1.00 1.00 C ATOM 423 CG LEU A 29 -3.028 -3.975 11.311 1.00 1.00 C ATOM 424 CD1 LEU A 29 -2.746 -4.419 12.769 1.00 1.00 C ATOM 425 CD2 LEU A 29 -4.484 -3.437 11.227 1.00 1.00 C ATOM 0 H LEU A 29 -0.072 -3.988 9.660 1.00 1.00 H new ATOM 0 HA LEU A 29 -2.734 -2.986 8.831 1.00 1.00 H new ATOM 0 HB2 LEU A 29 -1.061 -3.045 11.390 1.00 1.00 H new ATOM 0 HB3 LEU A 29 -2.378 -1.898 11.240 1.00 1.00 H new ATOM 0 HG LEU A 29 -2.913 -4.820 10.632 1.00 1.00 H new ATOM 0 HD11 LEU A 29 -3.456 -5.194 13.057 1.00 1.00 H new ATOM 0 HD12 LEU A 29 -1.732 -4.811 12.840 1.00 1.00 H new ATOM 0 HD13 LEU A 29 -2.852 -3.564 13.437 1.00 1.00 H new ATOM 0 HD21 LEU A 29 -5.180 -4.223 11.521 1.00 1.00 H new ATOM 0 HD22 LEU A 29 -4.596 -2.584 11.896 1.00 1.00 H new ATOM 0 HD23 LEU A 29 -4.699 -3.126 10.204 1.00 1.00 H new ATOM 437 N ILE A 30 -1.981 -0.698 8.143 1.00 1.00 N ATOM 438 CA ILE A 30 -1.554 0.633 7.723 1.00 1.00 C ATOM 439 C ILE A 30 -1.961 1.654 8.796 1.00 1.00 C ATOM 440 O ILE A 30 -3.146 1.850 9.064 1.00 1.00 O ATOM 441 CB ILE A 30 -2.214 0.975 6.368 1.00 1.00 C ATOM 442 CG1 ILE A 30 -2.002 -0.184 5.354 1.00 1.00 C ATOM 443 CG2 ILE A 30 -1.629 2.281 5.813 1.00 1.00 C ATOM 444 CD1 ILE A 30 -0.517 -0.522 5.147 1.00 1.00 C ATOM 0 H ILE A 30 -2.874 -0.999 7.753 1.00 1.00 H new ATOM 0 HA ILE A 30 -0.471 0.662 7.602 1.00 1.00 H new ATOM 0 HB ILE A 30 -3.285 1.107 6.523 1.00 1.00 H new ATOM 0 HG12 ILE A 30 -2.527 -1.071 5.707 1.00 1.00 H new ATOM 0 HG13 ILE A 30 -2.446 0.090 4.397 1.00 1.00 H new ATOM 0 HG21 ILE A 30 -2.100 2.514 4.858 1.00 1.00 H new ATOM 0 HG22 ILE A 30 -1.816 3.092 6.517 1.00 1.00 H new ATOM 0 HG23 ILE A 30 -0.555 2.166 5.669 1.00 1.00 H new ATOM 0 HD11 ILE A 30 -0.426 -1.338 4.430 1.00 1.00 H new ATOM 0 HD12 ILE A 30 0.006 0.355 4.767 1.00 1.00 H new ATOM 0 HD13 ILE A 30 -0.077 -0.824 6.097 1.00 1.00 H new ATOM 456 N THR A 31 -0.965 2.293 9.411 1.00 1.00 N ATOM 457 CA THR A 31 -1.198 3.291 10.471 1.00 1.00 C ATOM 458 C THR A 31 -1.327 4.700 9.893 1.00 1.00 C ATOM 459 O THR A 31 -2.152 5.490 10.352 1.00 1.00 O ATOM 460 CB THR A 31 -0.031 3.265 11.469 1.00 1.00 C ATOM 461 OG1 THR A 31 1.163 3.648 10.802 1.00 1.00 O ATOM 462 CG2 THR A 31 0.133 1.855 12.040 1.00 1.00 C ATOM 0 H THR A 31 0.020 2.140 9.195 1.00 1.00 H new ATOM 0 HA THR A 31 -2.132 3.036 10.972 1.00 1.00 H new ATOM 0 HB THR A 31 -0.236 3.959 12.284 1.00 1.00 H new ATOM 0 HG1 THR A 31 1.910 3.635 11.436 1.00 1.00 H new ATOM 0 HG21 THR A 31 0.962 1.843 12.747 1.00 1.00 H new ATOM 0 HG22 THR A 31 -0.784 1.560 12.551 1.00 1.00 H new ATOM 0 HG23 THR A 31 0.337 1.156 11.229 1.00 1.00 H new ATOM 470 N GLU A 32 -0.498 5.022 8.891 1.00 1.00 N ATOM 471 CA GLU A 32 -0.514 6.359 8.265 1.00 1.00 C ATOM 472 C GLU A 32 -0.179 6.239 6.774 1.00 1.00 C ATOM 473 O GLU A 32 0.585 5.359 6.372 1.00 1.00 O ATOM 474 CB GLU A 32 0.529 7.278 8.979 1.00 1.00 C ATOM 475 CG GLU A 32 0.047 8.749 9.059 1.00 1.00 C ATOM 476 CD GLU A 32 -1.096 8.902 10.072 1.00 1.00 C ATOM 477 OE1 GLU A 32 -1.507 7.904 10.639 1.00 1.00 O ATOM 478 OE2 GLU A 32 -1.529 10.025 10.275 1.00 1.00 O ATOM 0 H GLU A 32 0.190 4.382 8.495 1.00 1.00 H new ATOM 0 HA GLU A 32 -1.507 6.797 8.367 1.00 1.00 H new ATOM 0 HB2 GLU A 32 0.715 6.902 9.985 1.00 1.00 H new ATOM 0 HB3 GLU A 32 1.477 7.236 8.443 1.00 1.00 H new ATOM 0 HG2 GLU A 32 0.879 9.392 9.345 1.00 1.00 H new ATOM 0 HG3 GLU A 32 -0.288 9.079 8.076 1.00 1.00 H new ATOM 485 N ILE A 33 -0.746 7.142 5.958 1.00 1.00 N ATOM 486 CA ILE A 33 -0.506 7.165 4.504 1.00 1.00 C ATOM 487 C ILE A 33 -0.118 8.587 4.093 1.00 1.00 C ATOM 488 O ILE A 33 -0.817 9.546 4.419 1.00 1.00 O ATOM 489 CB ILE A 33 -1.797 6.715 3.767 1.00 1.00 C ATOM 490 CG1 ILE A 33 -2.178 5.237 4.186 1.00 1.00 C ATOM 491 CG2 ILE A 33 -1.590 6.810 2.234 1.00 1.00 C ATOM 492 CD1 ILE A 33 -3.634 5.146 4.679 1.00 1.00 C ATOM 0 H ILE A 33 -1.379 7.872 6.283 1.00 1.00 H new ATOM 0 HA ILE A 33 0.302 6.484 4.238 1.00 1.00 H new ATOM 0 HB ILE A 33 -2.617 7.375 4.050 1.00 1.00 H new ATOM 0 HG12 ILE A 33 -2.039 4.570 3.336 1.00 1.00 H new ATOM 0 HG13 ILE A 33 -1.505 4.896 4.972 1.00 1.00 H new ATOM 0 HG21 ILE A 33 -2.499 6.493 1.724 1.00 1.00 H new ATOM 0 HG22 ILE A 33 -1.361 7.840 1.961 1.00 1.00 H new ATOM 0 HG23 ILE A 33 -0.764 6.164 1.938 1.00 1.00 H new ATOM 0 HD11 ILE A 33 -3.860 4.117 4.958 1.00 1.00 H new ATOM 0 HD12 ILE A 33 -3.766 5.794 5.545 1.00 1.00 H new ATOM 0 HD13 ILE A 33 -4.308 5.463 3.883 1.00 1.00 H new ATOM 504 N ASP A 34 0.994 8.715 3.365 1.00 1.00 N ATOM 505 CA ASP A 34 1.482 10.017 2.897 1.00 1.00 C ATOM 506 C ASP A 34 1.453 11.081 4.009 1.00 1.00 C ATOM 507 O ASP A 34 1.572 12.275 3.739 1.00 1.00 O ATOM 508 CB ASP A 34 0.640 10.482 1.696 1.00 1.00 C ATOM 509 CG ASP A 34 1.254 11.731 1.062 1.00 1.00 C ATOM 510 OD1 ASP A 34 2.464 11.758 0.905 1.00 1.00 O ATOM 511 OD2 ASP A 34 0.511 12.646 0.747 1.00 1.00 O ATOM 0 H ASP A 34 1.578 7.927 3.085 1.00 1.00 H new ATOM 0 HA ASP A 34 2.522 9.894 2.595 1.00 1.00 H new ATOM 0 HB2 ASP A 34 0.580 9.684 0.956 1.00 1.00 H new ATOM 0 HB3 ASP A 34 -0.379 10.695 2.019 1.00 1.00 H new ATOM 516 N GLY A 35 1.295 10.634 5.258 1.00 1.00 N ATOM 517 CA GLY A 35 1.254 11.548 6.395 1.00 1.00 C ATOM 518 C GLY A 35 0.021 12.444 6.330 1.00 1.00 C ATOM 519 O GLY A 35 -0.025 13.492 6.978 1.00 1.00 O ATOM 0 H GLY A 35 1.194 9.649 5.503 1.00 1.00 H new ATOM 0 HA2 GLY A 35 1.246 10.978 7.324 1.00 1.00 H new ATOM 0 HA3 GLY A 35 2.154 12.162 6.406 1.00 1.00 H new ATOM 523 N GLN A 36 -0.978 12.042 5.527 1.00 1.00 N ATOM 524 CA GLN A 36 -2.215 12.831 5.360 1.00 1.00 C ATOM 525 C GLN A 36 -3.438 11.913 5.317 1.00 1.00 C ATOM 526 O GLN A 36 -3.315 10.704 5.122 1.00 1.00 O ATOM 527 CB GLN A 36 -2.154 13.641 4.053 1.00 1.00 C ATOM 528 CG GLN A 36 -0.993 14.643 4.102 1.00 1.00 C ATOM 529 CD GLN A 36 -0.957 15.471 2.821 1.00 1.00 C ATOM 530 OE1 GLN A 36 -1.177 16.756 2.875 1.00 1.00 O flip ATOM 531 NE2 GLN A 36 -0.715 14.942 1.736 1.00 1.00 N flip ATOM 0 H GLN A 36 -0.956 11.179 4.984 1.00 1.00 H new ATOM 0 HA GLN A 36 -2.302 13.507 6.210 1.00 1.00 H new ATOM 0 HB2 GLN A 36 -2.027 12.968 3.205 1.00 1.00 H new ATOM 0 HB3 GLN A 36 -3.094 14.171 3.901 1.00 1.00 H new ATOM 0 HG2 GLN A 36 -1.106 15.299 4.965 1.00 1.00 H new ATOM 0 HG3 GLN A 36 -0.050 14.112 4.227 1.00 1.00 H new ATOM 0 HE21 GLN A 36 -0.542 13.938 1.685 1.00 1.00 H new ATOM 0 HE22 GLN A 36 -0.688 15.508 0.888 1.00 1.00 H new ATOM 593 N SER A 40 -9.924 7.733 7.373 1.00 1.00 N ATOM 594 CA SER A 40 -10.904 6.767 6.884 1.00 1.00 C ATOM 595 C SER A 40 -10.209 5.678 6.078 1.00 1.00 C ATOM 596 O SER A 40 -9.168 5.907 5.459 1.00 1.00 O ATOM 597 CB SER A 40 -11.956 7.481 6.019 1.00 1.00 C ATOM 598 OG SER A 40 -12.617 6.538 5.179 1.00 1.00 O ATOM 0 HA SER A 40 -11.403 6.305 7.736 1.00 1.00 H new ATOM 0 HB2 SER A 40 -12.683 7.984 6.657 1.00 1.00 H new ATOM 0 HB3 SER A 40 -11.478 8.250 5.411 1.00 1.00 H new ATOM 0 HG SER A 40 -13.287 7.000 4.632 1.00 1.00 H new ATOM 604 N SER A 41 -10.807 4.488 6.079 1.00 1.00 N ATOM 605 CA SER A 41 -10.271 3.352 5.336 1.00 1.00 C ATOM 606 C SER A 41 -10.563 3.520 3.847 1.00 1.00 C ATOM 607 O SER A 41 -9.790 3.081 3.014 1.00 1.00 O ATOM 608 CB SER A 41 -10.913 2.058 5.850 1.00 1.00 C ATOM 609 OG SER A 41 -10.497 1.837 7.190 1.00 1.00 O ATOM 0 H SER A 41 -11.667 4.286 6.589 1.00 1.00 H new ATOM 0 HA SER A 41 -9.192 3.303 5.481 1.00 1.00 H new ATOM 0 HB2 SER A 41 -11.999 2.131 5.800 1.00 1.00 H new ATOM 0 HB3 SER A 41 -10.621 1.217 5.221 1.00 1.00 H new ATOM 0 HG SER A 41 -10.905 1.012 7.527 1.00 1.00 H new ATOM 615 N GLN A 42 -11.703 4.140 3.526 1.00 1.00 N ATOM 616 CA GLN A 42 -12.113 4.344 2.124 1.00 1.00 C ATOM 617 C GLN A 42 -11.279 5.446 1.457 1.00 1.00 C ATOM 618 O GLN A 42 -10.803 5.287 0.332 1.00 1.00 O ATOM 619 CB GLN A 42 -13.628 4.704 2.091 1.00 1.00 C ATOM 620 CG GLN A 42 -14.284 4.269 0.765 1.00 1.00 C ATOM 621 CD GLN A 42 -13.591 4.935 -0.420 1.00 1.00 C ATOM 622 OE1 GLN A 42 -12.681 4.357 -1.018 1.00 1.00 O ATOM 623 NE2 GLN A 42 -13.974 6.116 -0.820 1.00 1.00 N ATOM 0 H GLN A 42 -12.360 4.510 4.213 1.00 1.00 H new ATOM 0 HA GLN A 42 -11.942 3.425 1.563 1.00 1.00 H new ATOM 0 HB2 GLN A 42 -14.136 4.220 2.925 1.00 1.00 H new ATOM 0 HB3 GLN A 42 -13.750 5.779 2.223 1.00 1.00 H new ATOM 0 HG2 GLN A 42 -14.228 3.185 0.664 1.00 1.00 H new ATOM 0 HG3 GLN A 42 -15.341 4.535 0.771 1.00 1.00 H new ATOM 0 HE21 GLN A 42 -14.726 6.601 -0.331 1.00 1.00 H new ATOM 0 HE22 GLN A 42 -13.521 6.554 -1.622 1.00 1.00 H new ATOM 632 N GLU A 43 -11.102 6.556 2.166 1.00 1.00 N ATOM 633 CA GLU A 43 -10.325 7.684 1.654 1.00 1.00 C ATOM 634 C GLU A 43 -8.917 7.236 1.280 1.00 1.00 C ATOM 635 O GLU A 43 -8.242 7.895 0.492 1.00 1.00 O ATOM 636 CB GLU A 43 -10.251 8.814 2.706 1.00 1.00 C ATOM 637 CG GLU A 43 -11.654 9.419 2.962 1.00 1.00 C ATOM 638 CD GLU A 43 -12.159 10.178 1.729 1.00 1.00 C ATOM 639 OE1 GLU A 43 -11.341 10.557 0.909 1.00 1.00 O ATOM 640 OE2 GLU A 43 -13.361 10.364 1.621 1.00 1.00 O ATOM 0 H GLU A 43 -11.486 6.701 3.100 1.00 1.00 H new ATOM 0 HA GLU A 43 -10.825 8.063 0.763 1.00 1.00 H new ATOM 0 HB2 GLU A 43 -9.843 8.423 3.638 1.00 1.00 H new ATOM 0 HB3 GLU A 43 -9.571 9.593 2.362 1.00 1.00 H new ATOM 0 HG2 GLU A 43 -12.355 8.625 3.217 1.00 1.00 H new ATOM 0 HG3 GLU A 43 -11.612 10.094 3.817 1.00 1.00 H new ATOM 647 N PHE A 44 -8.472 6.106 1.839 1.00 1.00 N ATOM 648 CA PHE A 44 -7.137 5.600 1.529 1.00 1.00 C ATOM 649 C PHE A 44 -7.096 5.043 0.112 1.00 1.00 C ATOM 650 O PHE A 44 -6.235 5.409 -0.684 1.00 1.00 O ATOM 651 CB PHE A 44 -6.730 4.496 2.527 1.00 1.00 C ATOM 652 CG PHE A 44 -5.390 3.803 2.151 1.00 1.00 C ATOM 653 CD1 PHE A 44 -4.395 4.494 1.450 1.00 1.00 C ATOM 654 CD2 PHE A 44 -5.187 2.464 2.508 1.00 1.00 C ATOM 655 CE1 PHE A 44 -3.201 3.847 1.104 1.00 1.00 C ATOM 656 CE2 PHE A 44 -3.995 1.816 2.164 1.00 1.00 C ATOM 657 CZ PHE A 44 -3.003 2.508 1.462 1.00 1.00 C ATOM 0 H PHE A 44 -9.006 5.536 2.495 1.00 1.00 H new ATOM 0 HA PHE A 44 -6.434 6.429 1.609 1.00 1.00 H new ATOM 0 HB2 PHE A 44 -6.642 4.929 3.523 1.00 1.00 H new ATOM 0 HB3 PHE A 44 -7.520 3.746 2.574 1.00 1.00 H new ATOM 0 HD1 PHE A 44 -4.548 5.527 1.175 1.00 1.00 H new ATOM 0 HD2 PHE A 44 -5.953 1.930 3.051 1.00 1.00 H new ATOM 0 HE1 PHE A 44 -2.434 4.381 0.562 1.00 1.00 H new ATOM 0 HE2 PHE A 44 -3.842 0.783 2.440 1.00 1.00 H new ATOM 0 HZ PHE A 44 -2.083 2.009 1.196 1.00 1.00 H new ATOM 667 N ILE A 45 -8.041 4.144 -0.192 1.00 1.00 N ATOM 668 CA ILE A 45 -8.109 3.528 -1.524 1.00 1.00 C ATOM 669 C ILE A 45 -8.158 4.639 -2.575 1.00 1.00 C ATOM 670 O ILE A 45 -7.660 4.488 -3.691 1.00 1.00 O ATOM 671 CB ILE A 45 -9.357 2.579 -1.629 1.00 1.00 C ATOM 672 CG1 ILE A 45 -9.034 1.196 -0.991 1.00 1.00 C ATOM 673 CG2 ILE A 45 -9.786 2.351 -3.110 1.00 1.00 C ATOM 674 CD1 ILE A 45 -8.570 1.356 0.461 1.00 1.00 C ATOM 0 H ILE A 45 -8.762 3.830 0.458 1.00 1.00 H new ATOM 0 HA ILE A 45 -7.225 2.914 -1.697 1.00 1.00 H new ATOM 0 HB ILE A 45 -10.175 3.064 -1.096 1.00 1.00 H new ATOM 0 HG12 ILE A 45 -9.918 0.560 -1.026 1.00 1.00 H new ATOM 0 HG13 ILE A 45 -8.259 0.696 -1.571 1.00 1.00 H new ATOM 0 HG21 ILE A 45 -10.652 1.690 -3.140 1.00 1.00 H new ATOM 0 HG22 ILE A 45 -10.044 3.307 -3.566 1.00 1.00 H new ATOM 0 HG23 ILE A 45 -8.963 1.897 -3.661 1.00 1.00 H new ATOM 0 HD11 ILE A 45 -8.351 0.375 0.883 1.00 1.00 H new ATOM 0 HD12 ILE A 45 -7.672 1.972 0.490 1.00 1.00 H new ATOM 0 HD13 ILE A 45 -9.357 1.834 1.044 1.00 1.00 H new ATOM 686 N ASP A 46 -8.770 5.751 -2.188 1.00 1.00 N ATOM 687 CA ASP A 46 -8.902 6.906 -3.078 1.00 1.00 C ATOM 688 C ASP A 46 -7.556 7.614 -3.272 1.00 1.00 C ATOM 689 O ASP A 46 -7.291 8.171 -4.336 1.00 1.00 O ATOM 690 CB ASP A 46 -9.930 7.887 -2.499 1.00 1.00 C ATOM 691 CG ASP A 46 -11.274 7.188 -2.300 1.00 1.00 C ATOM 692 OD1 ASP A 46 -11.546 6.249 -3.029 1.00 1.00 O ATOM 693 OD2 ASP A 46 -12.003 7.606 -1.415 1.00 1.00 O ATOM 0 H ASP A 46 -9.184 5.881 -1.265 1.00 1.00 H new ATOM 0 HA ASP A 46 -9.240 6.552 -4.052 1.00 1.00 H new ATOM 0 HB2 ASP A 46 -9.572 8.280 -1.547 1.00 1.00 H new ATOM 0 HB3 ASP A 46 -10.050 8.737 -3.170 1.00 1.00 H new ATOM 698 N TYR A 47 -6.710 7.598 -2.236 1.00 1.00 N ATOM 699 CA TYR A 47 -5.400 8.258 -2.313 1.00 1.00 C ATOM 700 C TYR A 47 -4.457 7.525 -3.278 1.00 1.00 C ATOM 701 O TYR A 47 -3.855 8.137 -4.159 1.00 1.00 O ATOM 702 CB TYR A 47 -4.760 8.307 -0.906 1.00 1.00 C ATOM 703 CG TYR A 47 -3.382 8.965 -1.001 1.00 1.00 C ATOM 704 CD1 TYR A 47 -3.262 10.357 -0.932 1.00 1.00 C ATOM 705 CD2 TYR A 47 -2.245 8.176 -1.217 1.00 1.00 C ATOM 706 CE1 TYR A 47 -2.008 10.962 -1.077 1.00 1.00 C ATOM 707 CE2 TYR A 47 -0.990 8.777 -1.362 1.00 1.00 C ATOM 708 CZ TYR A 47 -0.873 10.170 -1.294 1.00 1.00 C ATOM 709 OH TYR A 47 0.364 10.764 -1.431 1.00 1.00 O ATOM 0 H TYR A 47 -6.904 7.142 -1.345 1.00 1.00 H new ATOM 0 HA TYR A 47 -5.554 9.269 -2.690 1.00 1.00 H new ATOM 0 HB2 TYR A 47 -5.398 8.868 -0.223 1.00 1.00 H new ATOM 0 HB3 TYR A 47 -4.668 7.299 -0.500 1.00 1.00 H new ATOM 0 HD1 TYR A 47 -4.138 10.966 -0.767 1.00 1.00 H new ATOM 0 HD2 TYR A 47 -2.337 7.101 -1.272 1.00 1.00 H new ATOM 0 HE1 TYR A 47 -1.916 12.037 -1.022 1.00 1.00 H new ATOM 0 HE2 TYR A 47 -0.114 8.168 -1.526 1.00 1.00 H new ATOM 0 HH TYR A 47 1.058 10.154 -1.104 1.00 1.00 H new ATOM 719 N ILE A 48 -4.303 6.220 -3.071 1.00 1.00 N ATOM 720 CA ILE A 48 -3.391 5.405 -3.898 1.00 1.00 C ATOM 721 C ILE A 48 -3.754 5.573 -5.380 1.00 1.00 C ATOM 722 O ILE A 48 -2.911 5.406 -6.263 1.00 1.00 O ATOM 723 CB ILE A 48 -3.398 3.879 -3.476 1.00 1.00 C ATOM 724 CG1 ILE A 48 -4.297 3.678 -2.242 1.00 1.00 C ATOM 725 CG2 ILE A 48 -1.954 3.416 -3.141 1.00 1.00 C ATOM 726 CD1 ILE A 48 -4.380 2.195 -1.848 1.00 1.00 C ATOM 0 H ILE A 48 -4.791 5.698 -2.344 1.00 1.00 H new ATOM 0 HA ILE A 48 -2.375 5.763 -3.734 1.00 1.00 H new ATOM 0 HB ILE A 48 -3.785 3.287 -4.306 1.00 1.00 H new ATOM 0 HG12 ILE A 48 -3.906 4.257 -1.406 1.00 1.00 H new ATOM 0 HG13 ILE A 48 -5.297 4.057 -2.452 1.00 1.00 H new ATOM 0 HG21 ILE A 48 -1.967 2.365 -2.852 1.00 1.00 H new ATOM 0 HG22 ILE A 48 -1.319 3.543 -4.017 1.00 1.00 H new ATOM 0 HG23 ILE A 48 -1.562 4.014 -2.319 1.00 1.00 H new ATOM 0 HD11 ILE A 48 -5.022 2.086 -0.974 1.00 1.00 H new ATOM 0 HD12 ILE A 48 -4.795 1.621 -2.677 1.00 1.00 H new ATOM 0 HD13 ILE A 48 -3.382 1.824 -1.614 1.00 1.00 H new ATOM 738 N HIS A 49 -5.020 5.911 -5.628 1.00 1.00 N ATOM 739 CA HIS A 49 -5.524 6.117 -6.988 1.00 1.00 C ATOM 740 C HIS A 49 -5.449 7.599 -7.371 1.00 1.00 C ATOM 741 O HIS A 49 -5.521 7.947 -8.551 1.00 1.00 O ATOM 742 CB HIS A 49 -6.988 5.661 -7.050 1.00 1.00 C ATOM 743 CG HIS A 49 -7.106 4.198 -6.706 1.00 1.00 C ATOM 744 ND1 HIS A 49 -8.337 3.565 -6.651 1.00 1.00 N ATOM 745 CD2 HIS A 49 -6.171 3.231 -6.419 1.00 1.00 C ATOM 746 CE1 HIS A 49 -8.111 2.278 -6.344 1.00 1.00 C ATOM 747 NE2 HIS A 49 -6.811 2.013 -6.189 1.00 1.00 N ATOM 0 H HIS A 49 -5.720 6.049 -4.899 1.00 1.00 H new ATOM 0 HA HIS A 49 -4.913 5.541 -7.683 1.00 1.00 H new ATOM 0 HB2 HIS A 49 -7.588 6.252 -6.358 1.00 1.00 H new ATOM 0 HB3 HIS A 49 -7.387 5.838 -8.049 1.00 1.00 H new ATOM 0 HD2 HIS A 49 -5.104 3.390 -6.378 1.00 1.00 H new ATOM 0 HE1 HIS A 49 -8.892 1.540 -6.235 1.00 1.00 H new ATOM 0 HE2 HIS A 49 -6.381 1.118 -5.954 1.00 1.00 H new ATOM 756 N SER A 50 -5.324 8.471 -6.367 1.00 1.00 N ATOM 757 CA SER A 50 -5.267 9.915 -6.611 1.00 1.00 C ATOM 758 C SER A 50 -3.991 10.306 -7.359 1.00 1.00 C ATOM 759 O SER A 50 -3.939 11.350 -8.012 1.00 1.00 O ATOM 760 CB SER A 50 -5.342 10.674 -5.282 1.00 1.00 C ATOM 761 OG SER A 50 -5.412 12.070 -5.547 1.00 1.00 O ATOM 0 H SER A 50 -5.261 8.205 -5.384 1.00 1.00 H new ATOM 0 HA SER A 50 -6.120 10.183 -7.234 1.00 1.00 H new ATOM 0 HB2 SER A 50 -6.217 10.354 -4.715 1.00 1.00 H new ATOM 0 HB3 SER A 50 -4.467 10.450 -4.671 1.00 1.00 H new ATOM 0 HG SER A 50 -5.462 12.562 -4.701 1.00 1.00 H new ATOM 767 N LYS A 51 -2.961 9.460 -7.269 1.00 1.00 N ATOM 768 CA LYS A 51 -1.684 9.714 -7.950 1.00 1.00 C ATOM 769 C LYS A 51 -1.711 9.090 -9.337 1.00 1.00 C ATOM 770 O LYS A 51 -2.770 8.686 -9.816 1.00 1.00 O ATOM 771 CB LYS A 51 -0.525 9.121 -7.130 1.00 1.00 C ATOM 772 CG LYS A 51 -0.492 9.710 -5.701 1.00 1.00 C ATOM 773 CD LYS A 51 -0.152 11.224 -5.721 1.00 1.00 C ATOM 774 CE LYS A 51 0.115 11.726 -4.293 1.00 1.00 C ATOM 775 NZ LYS A 51 1.312 11.033 -3.745 1.00 1.00 N ATOM 0 H LYS A 51 -2.984 8.593 -6.732 1.00 1.00 H new ATOM 0 HA LYS A 51 -1.536 10.790 -8.044 1.00 1.00 H new ATOM 0 HB2 LYS A 51 -0.631 8.037 -7.077 1.00 1.00 H new ATOM 0 HB3 LYS A 51 0.421 9.325 -7.632 1.00 1.00 H new ATOM 0 HG2 LYS A 51 -1.459 9.559 -5.221 1.00 1.00 H new ATOM 0 HG3 LYS A 51 0.247 9.177 -5.103 1.00 1.00 H new ATOM 0 HD2 LYS A 51 0.724 11.399 -6.346 1.00 1.00 H new ATOM 0 HD3 LYS A 51 -0.976 11.784 -6.163 1.00 1.00 H new ATOM 0 HE2 LYS A 51 0.275 12.804 -4.298 1.00 1.00 H new ATOM 0 HE3 LYS A 51 -0.752 11.535 -3.660 1.00 1.00 H new ATOM 0 HZ1 LYS A 51 1.112 10.707 -2.778 1.00 1.00 H new ATOM 0 HZ2 LYS A 51 1.545 10.216 -4.345 1.00 1.00 H new ATOM 0 HZ3 LYS A 51 2.117 11.691 -3.729 1.00 1.00 H new ATOM 789 N LYS A 52 -0.540 9.041 -9.992 1.00 1.00 N ATOM 790 CA LYS A 52 -0.404 8.487 -11.351 1.00 1.00 C ATOM 791 C LYS A 52 0.615 7.344 -11.369 1.00 1.00 C ATOM 792 O LYS A 52 1.336 7.119 -10.397 1.00 1.00 O ATOM 793 CB LYS A 52 0.035 9.607 -12.326 1.00 1.00 C ATOM 794 CG LYS A 52 -0.936 10.836 -12.233 1.00 1.00 C ATOM 795 CD LYS A 52 -0.368 11.919 -11.287 1.00 1.00 C ATOM 796 CE LYS A 52 -1.362 13.081 -11.157 1.00 1.00 C ATOM 797 NZ LYS A 52 -2.618 12.584 -10.527 1.00 1.00 N ATOM 0 H LYS A 52 0.336 9.382 -9.597 1.00 1.00 H new ATOM 0 HA LYS A 52 -1.369 8.090 -11.667 1.00 1.00 H new ATOM 0 HB2 LYS A 52 1.052 9.922 -12.091 1.00 1.00 H new ATOM 0 HB3 LYS A 52 0.047 9.224 -13.346 1.00 1.00 H new ATOM 0 HG2 LYS A 52 -1.089 11.259 -13.226 1.00 1.00 H new ATOM 0 HG3 LYS A 52 -1.911 10.508 -11.872 1.00 1.00 H new ATOM 0 HD2 LYS A 52 -0.170 11.488 -10.306 1.00 1.00 H new ATOM 0 HD3 LYS A 52 0.584 12.286 -11.672 1.00 1.00 H new ATOM 0 HE2 LYS A 52 -0.930 13.879 -10.554 1.00 1.00 H new ATOM 0 HE3 LYS A 52 -1.576 13.504 -12.139 1.00 1.00 H new ATOM 0 HZ1 LYS A 52 -3.140 13.384 -10.115 1.00 1.00 H new ATOM 0 HZ2 LYS A 52 -3.208 12.120 -11.247 1.00 1.00 H new ATOM 0 HZ3 LYS A 52 -2.384 11.901 -9.778 1.00 1.00 H new ATOM 811 N VAL A 53 0.643 6.613 -12.479 1.00 1.00 N ATOM 812 CA VAL A 53 1.550 5.471 -12.631 1.00 1.00 C ATOM 813 C VAL A 53 3.012 5.935 -12.631 1.00 1.00 C ATOM 814 O VAL A 53 3.355 6.909 -13.301 1.00 1.00 O ATOM 815 CB VAL A 53 1.239 4.730 -13.952 1.00 1.00 C ATOM 816 CG1 VAL A 53 2.054 3.424 -14.036 1.00 1.00 C ATOM 817 CG2 VAL A 53 -0.266 4.405 -14.014 1.00 1.00 C ATOM 0 H VAL A 53 0.049 6.788 -13.289 1.00 1.00 H new ATOM 0 HA VAL A 53 1.400 4.795 -11.789 1.00 1.00 H new ATOM 0 HB VAL A 53 1.512 5.370 -14.791 1.00 1.00 H new ATOM 0 HG11 VAL A 53 1.826 2.912 -14.971 1.00 1.00 H new ATOM 0 HG12 VAL A 53 3.118 3.656 -14.000 1.00 1.00 H new ATOM 0 HG13 VAL A 53 1.795 2.779 -13.196 1.00 1.00 H new ATOM 0 HG21 VAL A 53 -0.487 3.883 -14.945 1.00 1.00 H new ATOM 0 HG22 VAL A 53 -0.537 3.772 -13.169 1.00 1.00 H new ATOM 0 HG23 VAL A 53 -0.840 5.331 -13.972 1.00 1.00 H new ATOM 827 N GLY A 54 3.877 5.227 -11.885 1.00 1.00 N ATOM 828 CA GLY A 54 5.306 5.582 -11.827 1.00 1.00 C ATOM 829 C GLY A 54 5.566 6.625 -10.744 1.00 1.00 C ATOM 830 O GLY A 54 6.706 7.042 -10.527 1.00 1.00 O ATOM 0 H GLY A 54 3.618 4.417 -11.321 1.00 1.00 H new ATOM 0 HA2 GLY A 54 5.898 4.689 -11.627 1.00 1.00 H new ATOM 0 HA3 GLY A 54 5.628 5.968 -12.794 1.00 1.00 H new ATOM 834 N ASP A 55 4.497 7.039 -10.070 1.00 1.00 N ATOM 835 CA ASP A 55 4.589 8.039 -8.998 1.00 1.00 C ATOM 836 C ASP A 55 5.212 7.422 -7.755 1.00 1.00 C ATOM 837 O ASP A 55 5.002 6.247 -7.474 1.00 1.00 O ATOM 838 CB ASP A 55 3.183 8.564 -8.656 1.00 1.00 C ATOM 839 CG ASP A 55 3.251 9.679 -7.611 1.00 1.00 C ATOM 840 OD1 ASP A 55 3.761 10.741 -7.930 1.00 1.00 O ATOM 841 OD2 ASP A 55 2.763 9.458 -6.514 1.00 1.00 O ATOM 0 H ASP A 55 3.551 6.699 -10.244 1.00 1.00 H new ATOM 0 HA ASP A 55 5.215 8.863 -9.340 1.00 1.00 H new ATOM 0 HB2 ASP A 55 2.701 8.937 -9.560 1.00 1.00 H new ATOM 0 HB3 ASP A 55 2.567 7.747 -8.281 1.00 1.00 H new ATOM 846 N THR A 56 5.960 8.230 -6.999 1.00 1.00 N ATOM 847 CA THR A 56 6.599 7.765 -5.761 1.00 1.00 C ATOM 848 C THR A 56 5.624 7.905 -4.600 1.00 1.00 C ATOM 849 O THR A 56 4.762 8.783 -4.614 1.00 1.00 O ATOM 850 CB THR A 56 7.851 8.597 -5.477 1.00 1.00 C ATOM 851 OG1 THR A 56 7.481 9.956 -5.303 1.00 1.00 O ATOM 852 CG2 THR A 56 8.825 8.475 -6.650 1.00 1.00 C ATOM 0 H THR A 56 6.139 9.209 -7.221 1.00 1.00 H new ATOM 0 HA THR A 56 6.881 6.719 -5.877 1.00 1.00 H new ATOM 0 HB THR A 56 8.334 8.232 -4.571 1.00 1.00 H new ATOM 0 HG1 THR A 56 8.281 10.492 -5.119 1.00 1.00 H new ATOM 0 HG21 THR A 56 9.716 9.068 -6.446 1.00 1.00 H new ATOM 0 HG22 THR A 56 9.107 7.430 -6.782 1.00 1.00 H new ATOM 0 HG23 THR A 56 8.347 8.839 -7.559 1.00 1.00 H new ATOM 860 N VAL A 57 5.757 7.027 -3.595 1.00 1.00 N ATOM 861 CA VAL A 57 4.862 7.051 -2.418 1.00 1.00 C ATOM 862 C VAL A 57 5.631 6.734 -1.128 1.00 1.00 C ATOM 863 O VAL A 57 6.711 6.149 -1.164 1.00 1.00 O ATOM 864 CB VAL A 57 3.678 6.030 -2.642 1.00 1.00 C ATOM 865 CG1 VAL A 57 3.931 4.665 -1.931 1.00 1.00 C ATOM 866 CG2 VAL A 57 2.341 6.631 -2.131 1.00 1.00 C ATOM 0 H VAL A 57 6.468 6.296 -3.569 1.00 1.00 H new ATOM 0 HA VAL A 57 4.451 8.054 -2.306 1.00 1.00 H new ATOM 0 HB VAL A 57 3.619 5.847 -3.715 1.00 1.00 H new ATOM 0 HG11 VAL A 57 3.089 3.997 -2.115 1.00 1.00 H new ATOM 0 HG12 VAL A 57 4.843 4.215 -2.322 1.00 1.00 H new ATOM 0 HG13 VAL A 57 4.038 4.828 -0.858 1.00 1.00 H new ATOM 0 HG21 VAL A 57 1.535 5.915 -2.293 1.00 1.00 H new ATOM 0 HG22 VAL A 57 2.424 6.850 -1.066 1.00 1.00 H new ATOM 0 HG23 VAL A 57 2.124 7.550 -2.675 1.00 1.00 H new ATOM 876 N LYS A 58 5.016 7.103 0.003 1.00 1.00 N ATOM 877 CA LYS A 58 5.566 6.843 1.341 1.00 1.00 C ATOM 878 C LYS A 58 4.538 6.050 2.149 1.00 1.00 C ATOM 879 O LYS A 58 3.453 6.548 2.444 1.00 1.00 O ATOM 880 CB LYS A 58 5.856 8.174 2.048 1.00 1.00 C ATOM 881 CG LYS A 58 6.885 8.982 1.244 1.00 1.00 C ATOM 882 CD LYS A 58 7.284 10.264 2.006 1.00 1.00 C ATOM 883 CE LYS A 58 6.079 11.219 2.179 1.00 1.00 C ATOM 884 NZ LYS A 58 6.583 12.576 2.539 1.00 1.00 N ATOM 0 H LYS A 58 4.121 7.592 0.017 1.00 1.00 H new ATOM 0 HA LYS A 58 6.493 6.275 1.256 1.00 1.00 H new ATOM 0 HB2 LYS A 58 4.935 8.747 2.155 1.00 1.00 H new ATOM 0 HB3 LYS A 58 6.233 7.987 3.053 1.00 1.00 H new ATOM 0 HG2 LYS A 58 7.769 8.373 1.058 1.00 1.00 H new ATOM 0 HG3 LYS A 58 6.469 9.245 0.271 1.00 1.00 H new ATOM 0 HD2 LYS A 58 7.682 9.998 2.985 1.00 1.00 H new ATOM 0 HD3 LYS A 58 8.081 10.776 1.467 1.00 1.00 H new ATOM 0 HE2 LYS A 58 5.500 11.265 1.257 1.00 1.00 H new ATOM 0 HE3 LYS A 58 5.412 10.847 2.956 1.00 1.00 H new ATOM 0 HZ1 LYS A 58 5.779 13.225 2.657 1.00 1.00 H new ATOM 0 HZ2 LYS A 58 7.119 12.523 3.429 1.00 1.00 H new ATOM 0 HZ3 LYS A 58 7.203 12.928 1.782 1.00 1.00 H new ATOM 898 N ILE A 59 4.885 4.805 2.491 1.00 1.00 N ATOM 899 CA ILE A 59 3.995 3.918 3.257 1.00 1.00 C ATOM 900 C ILE A 59 4.499 3.769 4.693 1.00 1.00 C ATOM 901 O ILE A 59 5.696 3.622 4.932 1.00 1.00 O ATOM 902 CB ILE A 59 3.947 2.511 2.620 1.00 1.00 C ATOM 903 CG1 ILE A 59 3.655 2.591 1.113 1.00 1.00 C ATOM 904 CG2 ILE A 59 2.861 1.649 3.308 1.00 1.00 C ATOM 905 CD1 ILE A 59 2.319 3.291 0.811 1.00 1.00 C ATOM 0 H ILE A 59 5.782 4.384 2.249 1.00 1.00 H new ATOM 0 HA ILE A 59 3.001 4.364 3.250 1.00 1.00 H new ATOM 0 HB ILE A 59 4.925 2.050 2.761 1.00 1.00 H new ATOM 0 HG12 ILE A 59 4.464 3.128 0.617 1.00 1.00 H new ATOM 0 HG13 ILE A 59 3.637 1.584 0.695 1.00 1.00 H new ATOM 0 HG21 ILE A 59 2.837 0.660 2.850 1.00 1.00 H new ATOM 0 HG22 ILE A 59 3.091 1.552 4.369 1.00 1.00 H new ATOM 0 HG23 ILE A 59 1.888 2.127 3.190 1.00 1.00 H new ATOM 0 HD11 ILE A 59 2.160 3.322 -0.267 1.00 1.00 H new ATOM 0 HD12 ILE A 59 1.505 2.740 1.283 1.00 1.00 H new ATOM 0 HD13 ILE A 59 2.344 4.308 1.203 1.00 1.00 H new ATOM 917 N LYS A 60 3.556 3.761 5.634 1.00 1.00 N ATOM 918 CA LYS A 60 3.846 3.573 7.052 1.00 1.00 C ATOM 919 C LYS A 60 2.874 2.520 7.568 1.00 1.00 C ATOM 920 O LYS A 60 1.658 2.712 7.531 1.00 1.00 O ATOM 921 CB LYS A 60 3.678 4.907 7.801 1.00 1.00 C ATOM 922 CG LYS A 60 4.084 4.741 9.279 1.00 1.00 C ATOM 923 CD LYS A 60 4.087 6.106 9.985 1.00 1.00 C ATOM 924 CE LYS A 60 4.525 5.943 11.443 1.00 1.00 C ATOM 925 NZ LYS A 60 4.535 7.279 12.098 1.00 1.00 N ATOM 0 H LYS A 60 2.564 3.886 5.431 1.00 1.00 H new ATOM 0 HA LYS A 60 4.873 3.243 7.211 1.00 1.00 H new ATOM 0 HB2 LYS A 60 4.292 5.676 7.332 1.00 1.00 H new ATOM 0 HB3 LYS A 60 2.643 5.241 7.736 1.00 1.00 H new ATOM 0 HG2 LYS A 60 3.391 4.066 9.780 1.00 1.00 H new ATOM 0 HG3 LYS A 60 5.073 4.288 9.343 1.00 1.00 H new ATOM 0 HD2 LYS A 60 4.761 6.790 9.469 1.00 1.00 H new ATOM 0 HD3 LYS A 60 3.091 6.548 9.943 1.00 1.00 H new ATOM 0 HE2 LYS A 60 3.845 5.272 11.968 1.00 1.00 H new ATOM 0 HE3 LYS A 60 5.517 5.493 11.490 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 4.832 7.177 13.090 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 5.200 7.905 11.600 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 3.580 7.690 12.063 1.00 1.00 H new ATOM 939 N TYR A 61 3.416 1.380 7.994 1.00 1.00 N ATOM 940 CA TYR A 61 2.603 0.254 8.454 1.00 1.00 C ATOM 941 C TYR A 61 3.284 -0.438 9.620 1.00 1.00 C ATOM 942 O TYR A 61 4.476 -0.235 9.852 1.00 1.00 O ATOM 943 CB TYR A 61 2.383 -0.726 7.285 1.00 1.00 C ATOM 944 CG TYR A 61 3.690 -1.430 6.883 1.00 1.00 C ATOM 945 CD1 TYR A 61 4.139 -2.536 7.617 1.00 1.00 C ATOM 946 CD2 TYR A 61 4.436 -0.985 5.786 1.00 1.00 C ATOM 947 CE1 TYR A 61 5.322 -3.191 7.258 1.00 1.00 C ATOM 948 CE2 TYR A 61 5.622 -1.637 5.423 1.00 1.00 C ATOM 949 CZ TYR A 61 6.065 -2.742 6.160 1.00 1.00 C ATOM 950 OH TYR A 61 7.230 -3.389 5.801 1.00 1.00 O ATOM 0 H TYR A 61 4.421 1.211 8.030 1.00 1.00 H new ATOM 0 HA TYR A 61 1.634 0.616 8.796 1.00 1.00 H new ATOM 0 HB2 TYR A 61 1.640 -1.471 7.569 1.00 1.00 H new ATOM 0 HB3 TYR A 61 1.981 -0.186 6.428 1.00 1.00 H new ATOM 0 HD1 TYR A 61 3.568 -2.885 8.465 1.00 1.00 H new ATOM 0 HD2 TYR A 61 4.096 -0.134 5.215 1.00 1.00 H new ATOM 0 HE1 TYR A 61 5.662 -4.043 7.828 1.00 1.00 H new ATOM 0 HE2 TYR A 61 6.194 -1.288 4.576 1.00 1.00 H new ATOM 0 HH TYR A 61 7.120 -3.793 4.915 1.00 1.00 H new ATOM 960 N LYS A 62 2.522 -1.265 10.346 1.00 1.00 N ATOM 961 CA LYS A 62 3.052 -2.007 11.498 1.00 1.00 C ATOM 962 C LYS A 62 2.750 -3.499 11.363 1.00 1.00 C ATOM 963 O LYS A 62 1.592 -3.912 11.412 1.00 1.00 O ATOM 964 CB LYS A 62 2.406 -1.468 12.792 1.00 1.00 C ATOM 965 CG LYS A 62 3.028 -2.144 14.034 1.00 1.00 C ATOM 966 CD LYS A 62 2.502 -1.502 15.336 1.00 1.00 C ATOM 967 CE LYS A 62 0.971 -1.689 15.483 1.00 1.00 C ATOM 968 NZ LYS A 62 0.585 -3.085 15.121 1.00 1.00 N ATOM 0 H LYS A 62 1.535 -1.438 10.156 1.00 1.00 H new ATOM 0 HA LYS A 62 4.133 -1.872 11.536 1.00 1.00 H new ATOM 0 HB2 LYS A 62 2.545 -0.388 12.851 1.00 1.00 H new ATOM 0 HB3 LYS A 62 1.332 -1.651 12.772 1.00 1.00 H new ATOM 0 HG2 LYS A 62 2.793 -3.208 14.029 1.00 1.00 H new ATOM 0 HG3 LYS A 62 4.114 -2.057 13.994 1.00 1.00 H new ATOM 0 HD2 LYS A 62 3.008 -1.947 16.193 1.00 1.00 H new ATOM 0 HD3 LYS A 62 2.742 -0.439 15.341 1.00 1.00 H new ATOM 0 HE2 LYS A 62 0.668 -1.474 16.508 1.00 1.00 H new ATOM 0 HE3 LYS A 62 0.447 -0.981 14.841 1.00 1.00 H new ATOM 0 HZ1 LYS A 62 -0.312 -3.329 15.587 1.00 1.00 H new ATOM 0 HZ2 LYS A 62 0.471 -3.157 14.090 1.00 1.00 H new ATOM 0 HZ3 LYS A 62 1.327 -3.743 15.434 1.00 1.00 H new ATOM 982 N HIS A 63 3.811 -4.304 11.224 1.00 1.00 N ATOM 983 CA HIS A 63 3.686 -5.761 11.118 1.00 1.00 C ATOM 984 C HIS A 63 3.996 -6.365 12.489 1.00 1.00 C ATOM 985 O HIS A 63 5.143 -6.354 12.933 1.00 1.00 O ATOM 986 CB HIS A 63 4.679 -6.298 10.067 1.00 1.00 C ATOM 987 CG HIS A 63 4.488 -7.785 9.897 1.00 1.00 C ATOM 988 ND1 HIS A 63 3.372 -8.310 9.268 1.00 1.00 N ATOM 989 CD2 HIS A 63 5.237 -8.866 10.299 1.00 1.00 C ATOM 990 CE1 HIS A 63 3.478 -9.649 9.308 1.00 1.00 C ATOM 991 NE2 HIS A 63 4.594 -10.045 9.925 1.00 1.00 N ATOM 0 H HIS A 63 4.772 -3.966 11.182 1.00 1.00 H new ATOM 0 HA HIS A 63 2.677 -6.033 10.807 1.00 1.00 H new ATOM 0 HB2 HIS A 63 4.524 -5.791 9.115 1.00 1.00 H new ATOM 0 HB3 HIS A 63 5.702 -6.087 10.378 1.00 1.00 H new ATOM 0 HD1 HIS A 63 2.609 -7.778 8.850 1.00 1.00 H new ATOM 0 HD2 HIS A 63 6.179 -8.810 10.824 1.00 1.00 H new ATOM 0 HE1 HIS A 63 2.747 -10.325 8.890 1.00 1.00 H new ATOM 1000 N GLY A 64 2.966 -6.877 13.162 1.00 1.00 N ATOM 1001 CA GLY A 64 3.137 -7.466 14.491 1.00 1.00 C ATOM 1002 C GLY A 64 3.332 -6.381 15.555 1.00 1.00 C ATOM 1003 O GLY A 64 2.418 -5.599 15.824 1.00 1.00 O ATOM 0 H GLY A 64 2.008 -6.896 12.811 1.00 1.00 H new ATOM 0 HA2 GLY A 64 2.264 -8.070 14.739 1.00 1.00 H new ATOM 0 HA3 GLY A 64 3.998 -8.135 14.488 1.00 1.00 H new ATOM 1007 N ASN A 65 4.532 -6.345 16.164 1.00 1.00 N ATOM 1008 CA ASN A 65 4.864 -5.361 17.214 1.00 1.00 C ATOM 1009 C ASN A 65 5.943 -4.377 16.746 1.00 1.00 C ATOM 1010 O ASN A 65 6.204 -3.376 17.416 1.00 1.00 O ATOM 1011 CB ASN A 65 5.356 -6.105 18.468 1.00 1.00 C ATOM 1012 CG ASN A 65 6.598 -6.937 18.149 1.00 1.00 C ATOM 1013 OD1 ASN A 65 7.754 -6.349 18.003 1.00 1.00 O flip ATOM 1014 ND2 ASN A 65 6.524 -8.162 18.046 1.00 1.00 N flip ATOM 0 H ASN A 65 5.292 -6.989 15.946 1.00 1.00 H new ATOM 0 HA ASN A 65 3.964 -4.789 17.441 1.00 1.00 H new ATOM 0 HB2 ASN A 65 5.585 -5.388 19.256 1.00 1.00 H new ATOM 0 HB3 ASN A 65 4.565 -6.753 18.846 1.00 1.00 H new ATOM 0 HD21 ASN A 65 5.625 -8.630 18.159 1.00 1.00 H new ATOM 0 HD22 ASN A 65 7.362 -8.709 17.848 1.00 1.00 H new ATOM 1021 N LYS A 66 6.577 -4.666 15.599 1.00 1.00 N ATOM 1022 CA LYS A 66 7.642 -3.801 15.051 1.00 1.00 C ATOM 1023 C LYS A 66 7.088 -2.889 13.949 1.00 1.00 C ATOM 1024 O LYS A 66 6.348 -3.339 13.073 1.00 1.00 O ATOM 1025 CB LYS A 66 8.791 -4.674 14.493 1.00 1.00 C ATOM 1026 CG LYS A 66 8.274 -5.633 13.406 1.00 1.00 C ATOM 1027 CD LYS A 66 9.417 -6.543 12.924 1.00 1.00 C ATOM 1028 CE LYS A 66 8.889 -7.518 11.864 1.00 1.00 C ATOM 1029 NZ LYS A 66 8.312 -6.750 10.725 1.00 1.00 N ATOM 0 H LYS A 66 6.374 -5.489 15.032 1.00 1.00 H new ATOM 0 HA LYS A 66 8.027 -3.172 15.854 1.00 1.00 H new ATOM 0 HB2 LYS A 66 9.571 -4.035 14.079 1.00 1.00 H new ATOM 0 HB3 LYS A 66 9.245 -5.246 15.302 1.00 1.00 H new ATOM 0 HG2 LYS A 66 7.458 -6.238 13.801 1.00 1.00 H new ATOM 0 HG3 LYS A 66 7.872 -5.064 12.568 1.00 1.00 H new ATOM 0 HD2 LYS A 66 10.224 -5.940 12.508 1.00 1.00 H new ATOM 0 HD3 LYS A 66 9.834 -7.096 13.766 1.00 1.00 H new ATOM 0 HE2 LYS A 66 9.696 -8.160 11.511 1.00 1.00 H new ATOM 0 HE3 LYS A 66 8.130 -8.169 12.299 1.00 1.00 H new ATOM 0 HZ1 LYS A 66 7.893 -7.409 10.038 1.00 1.00 H new ATOM 0 HZ2 LYS A 66 7.577 -6.105 11.078 1.00 1.00 H new ATOM 0 HZ3 LYS A 66 9.063 -6.199 10.262 1.00 1.00 H new ATOM 1043 N ASN A 67 7.440 -1.594 14.008 1.00 1.00 N ATOM 1044 CA ASN A 67 6.983 -0.610 13.021 1.00 1.00 C ATOM 1045 C ASN A 67 8.055 -0.403 11.948 1.00 1.00 C ATOM 1046 O ASN A 67 9.222 -0.167 12.258 1.00 1.00 O ATOM 1047 CB ASN A 67 6.658 0.725 13.712 1.00 1.00 C ATOM 1048 CG ASN A 67 7.896 1.309 14.389 1.00 1.00 C ATOM 1049 OD1 ASN A 67 8.819 1.768 13.717 1.00 1.00 O ATOM 1050 ND2 ASN A 67 7.969 1.343 15.692 1.00 1.00 N ATOM 0 H ASN A 67 8.043 -1.206 14.734 1.00 1.00 H new ATOM 0 HA ASN A 67 6.078 -0.986 12.545 1.00 1.00 H new ATOM 0 HB2 ASN A 67 6.272 1.433 12.979 1.00 1.00 H new ATOM 0 HB3 ASN A 67 5.872 0.573 14.452 1.00 1.00 H new ATOM 0 HD21 ASN A 67 8.787 1.748 16.147 1.00 1.00 H new ATOM 0 HD22 ASN A 67 7.208 0.964 16.255 1.00 1.00 H new ATOM 1057 N GLU A 68 7.639 -0.511 10.685 1.00 1.00 N ATOM 1058 CA GLU A 68 8.542 -0.353 9.532 1.00 1.00 C ATOM 1059 C GLU A 68 7.906 0.570 8.499 1.00 1.00 C ATOM 1060 O GLU A 68 6.683 0.696 8.433 1.00 1.00 O ATOM 1061 CB GLU A 68 8.820 -1.724 8.899 1.00 1.00 C ATOM 1062 CG GLU A 68 9.507 -2.635 9.925 1.00 1.00 C ATOM 1063 CD GLU A 68 9.809 -3.998 9.311 1.00 1.00 C ATOM 1064 OE1 GLU A 68 8.969 -4.512 8.589 1.00 1.00 O ATOM 1065 OE2 GLU A 68 10.882 -4.517 9.566 1.00 1.00 O ATOM 0 H GLU A 68 6.672 -0.709 10.428 1.00 1.00 H new ATOM 0 HA GLU A 68 9.481 0.083 9.872 1.00 1.00 H new ATOM 0 HB2 GLU A 68 7.887 -2.177 8.563 1.00 1.00 H new ATOM 0 HB3 GLU A 68 9.453 -1.608 8.019 1.00 1.00 H new ATOM 0 HG2 GLU A 68 10.432 -2.172 10.270 1.00 1.00 H new ATOM 0 HG3 GLU A 68 8.866 -2.757 10.798 1.00 1.00 H new ATOM 1072 N GLU A 69 8.755 1.210 7.688 1.00 1.00 N ATOM 1073 CA GLU A 69 8.297 2.131 6.638 1.00 1.00 C ATOM 1074 C GLU A 69 9.140 1.965 5.375 1.00 1.00 C ATOM 1075 O GLU A 69 10.359 1.803 5.436 1.00 1.00 O ATOM 1076 CB GLU A 69 8.369 3.583 7.147 1.00 1.00 C ATOM 1077 CG GLU A 69 9.808 3.955 7.547 1.00 1.00 C ATOM 1078 CD GLU A 69 9.842 5.367 8.130 1.00 1.00 C ATOM 1079 OE1 GLU A 69 9.750 6.311 7.363 1.00 1.00 O ATOM 1080 OE2 GLU A 69 9.959 5.493 9.337 1.00 1.00 O ATOM 0 H GLU A 69 9.769 1.107 7.738 1.00 1.00 H new ATOM 0 HA GLU A 69 7.262 1.895 6.390 1.00 1.00 H new ATOM 0 HB2 GLU A 69 8.016 4.262 6.371 1.00 1.00 H new ATOM 0 HB3 GLU A 69 7.706 3.705 8.004 1.00 1.00 H new ATOM 0 HG2 GLU A 69 10.186 3.242 8.279 1.00 1.00 H new ATOM 0 HG3 GLU A 69 10.462 3.896 6.677 1.00 1.00 H new ATOM 1087 N ALA A 70 8.468 1.978 4.224 1.00 1.00 N ATOM 1088 CA ALA A 70 9.132 1.810 2.931 1.00 1.00 C ATOM 1089 C ALA A 70 8.420 2.621 1.852 1.00 1.00 C ATOM 1090 O ALA A 70 7.211 2.844 1.920 1.00 1.00 O ATOM 1091 CB ALA A 70 9.120 0.329 2.553 1.00 1.00 C ATOM 0 H ALA A 70 7.458 2.104 4.161 1.00 1.00 H new ATOM 0 HA ALA A 70 10.159 2.167 3.009 1.00 1.00 H new ATOM 0 HB1 ALA A 70 9.613 0.195 1.590 1.00 1.00 H new ATOM 0 HB2 ALA A 70 9.648 -0.245 3.314 1.00 1.00 H new ATOM 0 HB3 ALA A 70 8.090 -0.021 2.485 1.00 1.00 H new ATOM 1097 N SER A 71 9.193 3.036 0.845 1.00 1.00 N ATOM 1098 CA SER A 71 8.673 3.813 -0.291 1.00 1.00 C ATOM 1099 C SER A 71 8.521 2.895 -1.497 1.00 1.00 C ATOM 1100 O SER A 71 9.405 2.087 -1.780 1.00 1.00 O ATOM 1101 CB SER A 71 9.632 4.955 -0.626 1.00 1.00 C ATOM 1102 OG SER A 71 9.786 5.780 0.519 1.00 1.00 O ATOM 0 H SER A 71 10.194 2.846 0.791 1.00 1.00 H new ATOM 0 HA SER A 71 7.703 4.235 -0.028 1.00 1.00 H new ATOM 0 HB2 SER A 71 10.598 4.557 -0.936 1.00 1.00 H new ATOM 0 HB3 SER A 71 9.245 5.539 -1.461 1.00 1.00 H new ATOM 0 HG SER A 71 10.401 6.514 0.313 1.00 1.00 H new ATOM 1108 N ILE A 72 7.371 2.987 -2.184 1.00 1.00 N ATOM 1109 CA ILE A 72 7.087 2.121 -3.344 1.00 1.00 C ATOM 1110 C ILE A 72 6.489 2.941 -4.492 1.00 1.00 C ATOM 1111 O ILE A 72 5.664 3.824 -4.282 1.00 1.00 O ATOM 1112 CB ILE A 72 6.089 0.991 -2.937 1.00 1.00 C ATOM 1113 CG1 ILE A 72 6.425 0.454 -1.519 1.00 1.00 C ATOM 1114 CG2 ILE A 72 6.177 -0.166 -3.956 1.00 1.00 C ATOM 1115 CD1 ILE A 72 5.324 -0.493 -1.042 1.00 1.00 C ATOM 0 H ILE A 72 6.626 3.647 -1.960 1.00 1.00 H new ATOM 0 HA ILE A 72 8.024 1.675 -3.677 1.00 1.00 H new ATOM 0 HB ILE A 72 5.079 1.402 -2.929 1.00 1.00 H new ATOM 0 HG12 ILE A 72 7.382 -0.068 -1.536 1.00 1.00 H new ATOM 0 HG13 ILE A 72 6.528 1.285 -0.822 1.00 1.00 H new ATOM 0 HG21 ILE A 72 5.480 -0.955 -3.672 1.00 1.00 H new ATOM 0 HG22 ILE A 72 5.921 0.204 -4.949 1.00 1.00 H new ATOM 0 HG23 ILE A 72 7.191 -0.565 -3.967 1.00 1.00 H new ATOM 0 HD11 ILE A 72 5.569 -0.864 -0.047 1.00 1.00 H new ATOM 0 HD12 ILE A 72 4.375 0.041 -1.006 1.00 1.00 H new ATOM 0 HD13 ILE A 72 5.242 -1.333 -1.732 1.00 1.00 H new ATOM 1127 N LYS A 73 6.902 2.644 -5.718 1.00 1.00 N ATOM 1128 CA LYS A 73 6.394 3.359 -6.885 1.00 1.00 C ATOM 1129 C LYS A 73 5.048 2.772 -7.320 1.00 1.00 C ATOM 1130 O LYS A 73 4.859 1.554 -7.291 1.00 1.00 O ATOM 1131 CB LYS A 73 7.436 3.279 -8.030 1.00 1.00 C ATOM 1132 CG LYS A 73 7.388 1.901 -8.730 1.00 1.00 C ATOM 1133 CD LYS A 73 8.575 1.740 -9.686 1.00 1.00 C ATOM 1134 CE LYS A 73 8.516 0.355 -10.345 1.00 1.00 C ATOM 1135 NZ LYS A 73 9.668 0.199 -11.269 1.00 1.00 N ATOM 0 H LYS A 73 7.584 1.916 -5.931 1.00 1.00 H new ATOM 0 HA LYS A 73 6.234 4.407 -6.632 1.00 1.00 H new ATOM 0 HB2 LYS A 73 7.243 4.067 -8.758 1.00 1.00 H new ATOM 0 HB3 LYS A 73 8.435 3.453 -7.630 1.00 1.00 H new ATOM 0 HG2 LYS A 73 7.405 1.107 -7.983 1.00 1.00 H new ATOM 0 HG3 LYS A 73 6.453 1.800 -9.282 1.00 1.00 H new ATOM 0 HD2 LYS A 73 8.550 2.519 -10.448 1.00 1.00 H new ATOM 0 HD3 LYS A 73 9.512 1.856 -9.142 1.00 1.00 H new ATOM 0 HE2 LYS A 73 8.539 -0.424 -9.583 1.00 1.00 H new ATOM 0 HE3 LYS A 73 7.580 0.239 -10.891 1.00 1.00 H new ATOM 0 HZ1 LYS A 73 9.630 -0.739 -11.716 1.00 1.00 H new ATOM 0 HZ2 LYS A 73 9.626 0.935 -12.003 1.00 1.00 H new ATOM 0 HZ3 LYS A 73 10.556 0.292 -10.736 1.00 1.00 H new ATOM 1149 N LEU A 74 4.130 3.630 -7.739 1.00 1.00 N ATOM 1150 CA LEU A 74 2.824 3.170 -8.202 1.00 1.00 C ATOM 1151 C LEU A 74 2.973 2.406 -9.529 1.00 1.00 C ATOM 1152 O LEU A 74 3.784 2.767 -10.379 1.00 1.00 O ATOM 1153 CB LEU A 74 1.889 4.395 -8.403 1.00 1.00 C ATOM 1154 CG LEU A 74 1.132 4.777 -7.095 1.00 1.00 C ATOM 1155 CD1 LEU A 74 0.136 3.655 -6.657 1.00 1.00 C ATOM 1156 CD2 LEU A 74 2.144 5.074 -5.968 1.00 1.00 C ATOM 0 H LEU A 74 4.261 4.641 -7.769 1.00 1.00 H new ATOM 0 HA LEU A 74 2.394 2.500 -7.457 1.00 1.00 H new ATOM 0 HB2 LEU A 74 2.477 5.247 -8.743 1.00 1.00 H new ATOM 0 HB3 LEU A 74 1.166 4.173 -9.188 1.00 1.00 H new ATOM 0 HG LEU A 74 0.545 5.674 -7.294 1.00 1.00 H new ATOM 0 HD11 LEU A 74 -0.373 3.957 -5.742 1.00 1.00 H new ATOM 0 HD12 LEU A 74 -0.600 3.494 -7.445 1.00 1.00 H new ATOM 0 HD13 LEU A 74 0.685 2.730 -6.478 1.00 1.00 H new ATOM 0 HD21 LEU A 74 1.607 5.340 -5.058 1.00 1.00 H new ATOM 0 HD22 LEU A 74 2.754 4.189 -5.784 1.00 1.00 H new ATOM 0 HD23 LEU A 74 2.787 5.903 -6.265 1.00 1.00 H new ATOM 1168 N THR A 75 2.161 1.353 -9.690 1.00 1.00 N ATOM 1169 CA THR A 75 2.159 0.525 -10.906 1.00 1.00 C ATOM 1170 C THR A 75 0.722 0.221 -11.344 1.00 1.00 C ATOM 1171 O THR A 75 -0.222 0.351 -10.563 1.00 1.00 O ATOM 1172 CB THR A 75 2.902 -0.794 -10.636 1.00 1.00 C ATOM 1173 OG1 THR A 75 2.226 -1.505 -9.608 1.00 1.00 O ATOM 1174 CG2 THR A 75 4.352 -0.518 -10.200 1.00 1.00 C ATOM 0 H THR A 75 1.489 1.051 -8.985 1.00 1.00 H new ATOM 0 HA THR A 75 2.663 1.073 -11.702 1.00 1.00 H new ATOM 0 HB THR A 75 2.920 -1.385 -11.552 1.00 1.00 H new ATOM 0 HG1 THR A 75 1.580 -0.912 -9.171 1.00 1.00 H new ATOM 0 HG21 THR A 75 4.862 -1.463 -10.013 1.00 1.00 H new ATOM 0 HG22 THR A 75 4.872 0.025 -10.989 1.00 1.00 H new ATOM 0 HG23 THR A 75 4.350 0.080 -9.288 1.00 1.00 H new ATOM 1182 N ALA A 76 0.574 -0.208 -12.598 1.00 1.00 N ATOM 1183 CA ALA A 76 -0.738 -0.559 -13.153 1.00 1.00 C ATOM 1184 C ALA A 76 -1.151 -1.945 -12.662 1.00 1.00 C ATOM 1185 O ALA A 76 -0.433 -2.921 -12.882 1.00 1.00 O ATOM 1186 CB ALA A 76 -0.656 -0.574 -14.685 1.00 1.00 C ATOM 0 H ALA A 76 1.348 -0.322 -13.252 1.00 1.00 H new ATOM 0 HA ALA A 76 -1.473 0.177 -12.829 1.00 1.00 H new ATOM 0 HB1 ALA A 76 -1.630 -0.835 -15.099 1.00 1.00 H new ATOM 0 HB2 ALA A 76 -0.362 0.412 -15.043 1.00 1.00 H new ATOM 0 HB3 ALA A 76 0.082 -1.311 -15.003 1.00 1.00 H new ATOM 1192 N ILE A 77 -2.316 -2.031 -12.006 1.00 1.00 N ATOM 1193 CA ILE A 77 -2.828 -3.310 -11.491 1.00 1.00 C ATOM 1194 C ILE A 77 -3.813 -3.931 -12.479 1.00 1.00 C ATOM 1195 O ILE A 77 -3.672 -5.095 -12.852 1.00 1.00 O ATOM 1196 CB ILE A 77 -3.498 -3.078 -10.107 1.00 1.00 C ATOM 1197 CG1 ILE A 77 -4.745 -2.129 -10.257 1.00 1.00 C ATOM 1198 CG2 ILE A 77 -2.448 -2.468 -9.136 1.00 1.00 C ATOM 1199 CD1 ILE A 77 -5.192 -1.521 -8.913 1.00 1.00 C ATOM 0 H ILE A 77 -2.922 -1.232 -11.819 1.00 1.00 H new ATOM 0 HA ILE A 77 -1.999 -4.007 -11.369 1.00 1.00 H new ATOM 0 HB ILE A 77 -3.850 -4.027 -9.702 1.00 1.00 H new ATOM 0 HG12 ILE A 77 -4.504 -1.325 -10.953 1.00 1.00 H new ATOM 0 HG13 ILE A 77 -5.573 -2.689 -10.692 1.00 1.00 H new ATOM 0 HG21 ILE A 77 -2.907 -2.301 -8.162 1.00 1.00 H new ATOM 0 HG22 ILE A 77 -1.609 -3.156 -9.029 1.00 1.00 H new ATOM 0 HG23 ILE A 77 -2.091 -1.519 -9.536 1.00 1.00 H new ATOM 0 HD11 ILE A 77 -6.055 -0.875 -9.075 1.00 1.00 H new ATOM 0 HD12 ILE A 77 -5.462 -2.321 -8.223 1.00 1.00 H new ATOM 0 HD13 ILE A 77 -4.376 -0.936 -8.489 1.00 1.00 H new ATOM 1211 N ASP A 78 -4.831 -3.154 -12.874 1.00 1.00 N ATOM 1212 CA ASP A 78 -5.876 -3.635 -13.796 1.00 1.00 C ATOM 1213 C ASP A 78 -5.601 -3.197 -15.236 1.00 1.00 C ATOM 1214 O ASP A 78 -4.705 -2.396 -15.502 1.00 1.00 O ATOM 1215 CB ASP A 78 -7.268 -3.141 -13.332 1.00 1.00 C ATOM 1216 CG ASP A 78 -8.389 -3.862 -14.108 1.00 1.00 C ATOM 1217 OD1 ASP A 78 -8.121 -4.924 -14.644 1.00 1.00 O ATOM 1218 OD2 ASP A 78 -9.493 -3.348 -14.173 1.00 1.00 O ATOM 0 H ASP A 78 -4.955 -2.188 -12.570 1.00 1.00 H new ATOM 0 HA ASP A 78 -5.864 -4.725 -13.777 1.00 1.00 H new ATOM 0 HB2 ASP A 78 -7.385 -3.320 -12.263 1.00 1.00 H new ATOM 0 HB3 ASP A 78 -7.347 -2.065 -13.485 1.00 1.00 H new ATOM 1223 N LYS A 79 -6.376 -3.769 -16.153 1.00 1.00 N ATOM 1224 CA LYS A 79 -6.240 -3.500 -17.583 1.00 1.00 C ATOM 1225 C LYS A 79 -6.498 -2.024 -17.915 1.00 1.00 C ATOM 1226 O LYS A 79 -6.041 -1.529 -18.948 1.00 1.00 O ATOM 1227 CB LYS A 79 -7.239 -4.379 -18.361 1.00 1.00 C ATOM 1228 CG LYS A 79 -7.111 -5.875 -17.976 1.00 1.00 C ATOM 1229 CD LYS A 79 -5.739 -6.456 -18.393 1.00 1.00 C ATOM 1230 CE LYS A 79 -5.735 -7.983 -18.219 1.00 1.00 C ATOM 1231 NZ LYS A 79 -5.945 -8.322 -16.784 1.00 1.00 N ATOM 0 H LYS A 79 -7.117 -4.433 -15.926 1.00 1.00 H new ATOM 0 HA LYS A 79 -5.216 -3.734 -17.873 1.00 1.00 H new ATOM 0 HB2 LYS A 79 -8.255 -4.038 -18.162 1.00 1.00 H new ATOM 0 HB3 LYS A 79 -7.068 -4.263 -19.431 1.00 1.00 H new ATOM 0 HG2 LYS A 79 -7.242 -5.987 -16.900 1.00 1.00 H new ATOM 0 HG3 LYS A 79 -7.908 -6.444 -18.455 1.00 1.00 H new ATOM 0 HD2 LYS A 79 -5.528 -6.200 -19.431 1.00 1.00 H new ATOM 0 HD3 LYS A 79 -4.949 -6.012 -17.788 1.00 1.00 H new ATOM 0 HE2 LYS A 79 -6.521 -8.431 -18.828 1.00 1.00 H new ATOM 0 HE3 LYS A 79 -4.788 -8.396 -18.566 1.00 1.00 H new ATOM 0 HZ1 LYS A 79 -5.742 -9.331 -16.632 1.00 1.00 H new ATOM 0 HZ2 LYS A 79 -5.309 -7.748 -16.195 1.00 1.00 H new ATOM 0 HZ3 LYS A 79 -6.932 -8.124 -16.521 1.00 1.00 H new ATOM 1245 N LYS A 80 -7.250 -1.331 -17.058 1.00 1.00 N ATOM 1246 CA LYS A 80 -7.582 0.085 -17.296 1.00 1.00 C ATOM 1247 C LYS A 80 -6.391 0.984 -16.950 1.00 1.00 C ATOM 1248 O LYS A 80 -6.346 2.145 -17.357 1.00 1.00 O ATOM 1249 CB LYS A 80 -8.836 0.496 -16.472 1.00 1.00 C ATOM 1250 CG LYS A 80 -8.779 -0.121 -15.059 1.00 1.00 C ATOM 1251 CD LYS A 80 -9.927 0.428 -14.192 1.00 1.00 C ATOM 1252 CE LYS A 80 -9.923 -0.249 -12.811 1.00 1.00 C ATOM 1253 NZ LYS A 80 -10.979 0.365 -11.957 1.00 1.00 N ATOM 0 H LYS A 80 -7.640 -1.718 -16.199 1.00 1.00 H new ATOM 0 HA LYS A 80 -7.809 0.212 -18.355 1.00 1.00 H new ATOM 0 HB2 LYS A 80 -8.891 1.582 -16.399 1.00 1.00 H new ATOM 0 HB3 LYS A 80 -9.740 0.165 -16.984 1.00 1.00 H new ATOM 0 HG2 LYS A 80 -8.851 -1.207 -15.125 1.00 1.00 H new ATOM 0 HG3 LYS A 80 -7.820 0.107 -14.593 1.00 1.00 H new ATOM 0 HD2 LYS A 80 -9.821 1.507 -14.076 1.00 1.00 H new ATOM 0 HD3 LYS A 80 -10.882 0.253 -14.688 1.00 1.00 H new ATOM 0 HE2 LYS A 80 -10.102 -1.319 -12.917 1.00 1.00 H new ATOM 0 HE3 LYS A 80 -8.947 -0.135 -12.340 1.00 1.00 H new ATOM 0 HZ1 LYS A 80 -10.978 -0.091 -11.022 1.00 1.00 H new ATOM 0 HZ2 LYS A 80 -10.789 1.381 -11.846 1.00 1.00 H new ATOM 0 HZ3 LYS A 80 -11.908 0.234 -12.406 1.00 1.00 H new ATOM 1267 N GLY A 81 -5.419 0.440 -16.220 1.00 1.00 N ATOM 1268 CA GLY A 81 -4.220 1.202 -15.853 1.00 1.00 C ATOM 1269 C GLY A 81 -4.448 2.070 -14.625 1.00 1.00 C ATOM 1270 O GLY A 81 -3.971 3.203 -14.566 1.00 1.00 O ATOM 0 H GLY A 81 -5.434 -0.519 -15.872 1.00 1.00 H new ATOM 0 HA2 GLY A 81 -3.397 0.513 -15.662 1.00 1.00 H new ATOM 0 HA3 GLY A 81 -3.920 1.831 -16.691 1.00 1.00 H new ATOM 1274 N THR A 82 -5.166 1.545 -13.629 1.00 1.00 N ATOM 1275 CA THR A 82 -5.417 2.306 -12.401 1.00 1.00 C ATOM 1276 C THR A 82 -4.186 2.201 -11.474 1.00 1.00 C ATOM 1277 O THR A 82 -3.840 1.094 -11.068 1.00 1.00 O ATOM 1278 CB THR A 82 -6.649 1.757 -11.661 1.00 1.00 C ATOM 1279 OG1 THR A 82 -7.790 1.972 -12.476 1.00 1.00 O ATOM 1280 CG2 THR A 82 -6.845 2.494 -10.314 1.00 1.00 C ATOM 0 H THR A 82 -5.578 0.612 -13.646 1.00 1.00 H new ATOM 0 HA THR A 82 -5.601 3.346 -12.670 1.00 1.00 H new ATOM 0 HB THR A 82 -6.509 0.695 -11.461 1.00 1.00 H new ATOM 0 HG1 THR A 82 -8.580 2.091 -11.908 1.00 1.00 H new ATOM 0 HG21 THR A 82 -7.721 2.093 -9.804 1.00 1.00 H new ATOM 0 HG22 THR A 82 -5.964 2.350 -9.689 1.00 1.00 H new ATOM 0 HG23 THR A 82 -6.989 3.558 -10.499 1.00 1.00 H new ATOM 1288 N PRO A 83 -3.533 3.294 -11.106 1.00 1.00 N ATOM 1289 CA PRO A 83 -2.355 3.219 -10.185 1.00 1.00 C ATOM 1290 C PRO A 83 -2.657 2.449 -8.888 1.00 1.00 C ATOM 1291 O PRO A 83 -3.645 2.717 -8.207 1.00 1.00 O ATOM 1292 CB PRO A 83 -2.025 4.703 -9.881 1.00 1.00 C ATOM 1293 CG PRO A 83 -2.577 5.467 -11.046 1.00 1.00 C ATOM 1294 CD PRO A 83 -3.810 4.689 -11.519 1.00 1.00 C ATOM 0 HA PRO A 83 -1.528 2.675 -10.640 1.00 1.00 H new ATOM 0 HB2 PRO A 83 -2.481 5.026 -8.945 1.00 1.00 H new ATOM 0 HB3 PRO A 83 -0.950 4.856 -9.781 1.00 1.00 H new ATOM 0 HG2 PRO A 83 -2.845 6.482 -10.754 1.00 1.00 H new ATOM 0 HG3 PRO A 83 -1.838 5.549 -11.843 1.00 1.00 H new ATOM 0 HD2 PRO A 83 -4.722 5.068 -11.058 1.00 1.00 H new ATOM 0 HD3 PRO A 83 -3.942 4.767 -12.598 1.00 1.00 H new ATOM 1302 N GLY A 84 -1.775 1.512 -8.553 1.00 1.00 N ATOM 1303 CA GLY A 84 -1.915 0.724 -7.331 1.00 1.00 C ATOM 1304 C GLY A 84 -0.654 -0.071 -7.060 1.00 1.00 C ATOM 1305 O GLY A 84 0.117 -0.371 -7.973 1.00 1.00 O ATOM 0 H GLY A 84 -0.954 1.279 -9.111 1.00 1.00 H new ATOM 0 HA2 GLY A 84 -2.123 1.384 -6.489 1.00 1.00 H new ATOM 0 HA3 GLY A 84 -2.765 0.048 -7.424 1.00 1.00 H new ATOM 1309 N ILE A 85 -0.442 -0.399 -5.787 1.00 1.00 N ATOM 1310 CA ILE A 85 0.740 -1.157 -5.358 1.00 1.00 C ATOM 1311 C ILE A 85 0.434 -2.657 -5.415 1.00 1.00 C ATOM 1312 O ILE A 85 1.026 -3.447 -4.696 1.00 1.00 O ATOM 1313 CB ILE A 85 1.149 -0.751 -3.899 1.00 1.00 C ATOM 1314 CG1 ILE A 85 0.878 0.757 -3.662 1.00 1.00 C ATOM 1315 CG2 ILE A 85 2.648 -1.043 -3.677 1.00 1.00 C ATOM 1316 CD1 ILE A 85 1.218 1.155 -2.217 1.00 1.00 C ATOM 0 H ILE A 85 -1.076 -0.151 -5.027 1.00 1.00 H new ATOM 0 HA ILE A 85 1.569 -0.930 -6.028 1.00 1.00 H new ATOM 0 HB ILE A 85 0.554 -1.334 -3.196 1.00 1.00 H new ATOM 0 HG12 ILE A 85 1.472 1.351 -4.356 1.00 1.00 H new ATOM 0 HG13 ILE A 85 -0.169 0.979 -3.868 1.00 1.00 H new ATOM 0 HG21 ILE A 85 2.928 -0.759 -2.662 1.00 1.00 H new ATOM 0 HG22 ILE A 85 2.837 -2.107 -3.822 1.00 1.00 H new ATOM 0 HG23 ILE A 85 3.240 -0.469 -4.390 1.00 1.00 H new ATOM 0 HD11 ILE A 85 1.019 2.217 -2.076 1.00 1.00 H new ATOM 0 HD12 ILE A 85 0.605 0.576 -1.526 1.00 1.00 H new ATOM 0 HD13 ILE A 85 2.271 0.954 -2.023 1.00 1.00 H new ATOM 1328 N GLY A 86 -0.496 -3.039 -6.279 1.00 1.00 N ATOM 1329 CA GLY A 86 -0.876 -4.449 -6.426 1.00 1.00 C ATOM 1330 C GLY A 86 -1.192 -5.096 -5.075 1.00 1.00 C ATOM 1331 O GLY A 86 -0.514 -6.028 -4.643 1.00 1.00 O ATOM 0 H GLY A 86 -1.004 -2.399 -6.890 1.00 1.00 H new ATOM 0 HA2 GLY A 86 -1.746 -4.525 -7.078 1.00 1.00 H new ATOM 0 HA3 GLY A 86 -0.066 -4.995 -6.910 1.00 1.00 H new ATOM 1335 N ILE A 87 -2.235 -4.593 -4.421 1.00 1.00 N ATOM 1336 CA ILE A 87 -2.679 -5.109 -3.124 1.00 1.00 C ATOM 1337 C ILE A 87 -4.191 -4.989 -3.025 1.00 1.00 C ATOM 1338 O ILE A 87 -4.818 -4.245 -3.782 1.00 1.00 O ATOM 1339 CB ILE A 87 -2.031 -4.317 -1.961 1.00 1.00 C ATOM 1340 CG1 ILE A 87 -2.206 -2.795 -2.207 1.00 1.00 C ATOM 1341 CG2 ILE A 87 -0.533 -4.664 -1.845 1.00 1.00 C ATOM 1342 CD1 ILE A 87 -1.809 -2.013 -0.953 1.00 1.00 C ATOM 0 H ILE A 87 -2.797 -3.818 -4.772 1.00 1.00 H new ATOM 0 HA ILE A 87 -2.376 -6.153 -3.047 1.00 1.00 H new ATOM 0 HB ILE A 87 -2.524 -4.591 -1.028 1.00 1.00 H new ATOM 0 HG12 ILE A 87 -1.591 -2.482 -3.051 1.00 1.00 H new ATOM 0 HG13 ILE A 87 -3.241 -2.577 -2.469 1.00 1.00 H new ATOM 0 HG21 ILE A 87 -0.091 -4.100 -1.024 1.00 1.00 H new ATOM 0 HG22 ILE A 87 -0.420 -5.731 -1.654 1.00 1.00 H new ATOM 0 HG23 ILE A 87 -0.027 -4.407 -2.775 1.00 1.00 H new ATOM 0 HD11 ILE A 87 -1.935 -0.946 -1.135 1.00 1.00 H new ATOM 0 HD12 ILE A 87 -2.442 -2.316 -0.119 1.00 1.00 H new ATOM 0 HD13 ILE A 87 -0.767 -2.219 -0.710 1.00 1.00 H new ATOM 1354 N THR A 88 -4.758 -5.698 -2.056 1.00 1.00 N ATOM 1355 CA THR A 88 -6.212 -5.662 -1.792 1.00 1.00 C ATOM 1356 C THR A 88 -6.457 -5.419 -0.299 1.00 1.00 C ATOM 1357 O THR A 88 -5.939 -6.142 0.548 1.00 1.00 O ATOM 1358 CB THR A 88 -6.843 -6.986 -2.229 1.00 1.00 C ATOM 1359 OG1 THR A 88 -6.584 -7.182 -3.613 1.00 1.00 O ATOM 1360 CG2 THR A 88 -8.366 -6.974 -1.993 1.00 1.00 C ATOM 0 H THR A 88 -4.238 -6.313 -1.430 1.00 1.00 H new ATOM 0 HA THR A 88 -6.669 -4.850 -2.358 1.00 1.00 H new ATOM 0 HB THR A 88 -6.410 -7.795 -1.640 1.00 1.00 H new ATOM 0 HG1 THR A 88 -6.983 -8.029 -3.904 1.00 1.00 H new ATOM 0 HG21 THR A 88 -8.791 -7.926 -2.312 1.00 1.00 H new ATOM 0 HG22 THR A 88 -8.569 -6.823 -0.933 1.00 1.00 H new ATOM 0 HG23 THR A 88 -8.817 -6.165 -2.568 1.00 1.00 H new ATOM 1368 N LEU A 89 -7.245 -4.381 0.007 1.00 1.00 N ATOM 1369 CA LEU A 89 -7.573 -3.995 1.391 1.00 1.00 C ATOM 1370 C LEU A 89 -9.050 -4.276 1.671 1.00 1.00 C ATOM 1371 O LEU A 89 -9.917 -3.944 0.866 1.00 1.00 O ATOM 1372 CB LEU A 89 -7.291 -2.486 1.555 1.00 1.00 C ATOM 1373 CG LEU A 89 -5.796 -2.154 1.233 1.00 1.00 C ATOM 1374 CD1 LEU A 89 -5.656 -0.683 0.801 1.00 1.00 C ATOM 1375 CD2 LEU A 89 -4.903 -2.397 2.470 1.00 1.00 C ATOM 0 H LEU A 89 -7.676 -3.782 -0.697 1.00 1.00 H new ATOM 0 HA LEU A 89 -6.968 -4.569 2.093 1.00 1.00 H new ATOM 0 HB2 LEU A 89 -7.944 -1.917 0.893 1.00 1.00 H new ATOM 0 HB3 LEU A 89 -7.524 -2.178 2.574 1.00 1.00 H new ATOM 0 HG LEU A 89 -5.476 -2.809 0.422 1.00 1.00 H new ATOM 0 HD11 LEU A 89 -4.611 -0.467 0.580 1.00 1.00 H new ATOM 0 HD12 LEU A 89 -6.259 -0.506 -0.090 1.00 1.00 H new ATOM 0 HD13 LEU A 89 -5.999 -0.033 1.606 1.00 1.00 H new ATOM 0 HD21 LEU A 89 -3.868 -2.160 2.224 1.00 1.00 H new ATOM 0 HD22 LEU A 89 -5.236 -1.760 3.290 1.00 1.00 H new ATOM 0 HD23 LEU A 89 -4.974 -3.442 2.770 1.00 1.00 H new ATOM 1387 N VAL A 90 -9.339 -4.874 2.820 1.00 1.00 N ATOM 1388 CA VAL A 90 -10.710 -5.183 3.218 1.00 1.00 C ATOM 1389 C VAL A 90 -10.763 -5.258 4.737 1.00 1.00 C ATOM 1390 O VAL A 90 -9.856 -5.822 5.350 1.00 1.00 O ATOM 1391 CB VAL A 90 -11.159 -6.540 2.611 1.00 1.00 C ATOM 1392 CG1 VAL A 90 -11.332 -6.421 1.077 1.00 1.00 C ATOM 1393 CG2 VAL A 90 -10.116 -7.637 2.939 1.00 1.00 C ATOM 0 H VAL A 90 -8.634 -5.158 3.501 1.00 1.00 H new ATOM 0 HA VAL A 90 -11.381 -4.406 2.852 1.00 1.00 H new ATOM 0 HB VAL A 90 -12.119 -6.814 3.049 1.00 1.00 H new ATOM 0 HG11 VAL A 90 -11.647 -7.382 0.671 1.00 1.00 H new ATOM 0 HG12 VAL A 90 -12.087 -5.668 0.853 1.00 1.00 H new ATOM 0 HG13 VAL A 90 -10.384 -6.129 0.625 1.00 1.00 H new ATOM 0 HG21 VAL A 90 -10.438 -8.586 2.510 1.00 1.00 H new ATOM 0 HG22 VAL A 90 -9.150 -7.358 2.518 1.00 1.00 H new ATOM 0 HG23 VAL A 90 -10.025 -7.740 4.020 1.00 1.00 H new