USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 675 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 77 TYR OH : rot -84:sc= 1.91 USER MOD Set 1.2: A 79 TYR OH : rot 180:sc= 0.681 USER MOD Set 2.1: A 27 GLN :FLIP amide:sc= 0.128 F(o=-1.1!,f=-0.15) USER MOD Set 2.2: A 41 TYR OH : rot 180:sc= -0.274 USER MOD Set 3.1: A 13 MET CE :methyl 165:sc= -3.9! (180deg=-1.99) USER MOD Set 3.2: A 74 HIS : no HE2:sc= -2.64 K(o=-6.5,f=-13!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc=-0.000961 K(o=-0.00096,f=-0.54) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl -152:sc= -0.641 (180deg=-5.14!) USER MOD Single : A 18 GLN : amide:sc= -4.3! C(o=-4.3!,f=-17!) USER MOD Single : A 19 GLN : amide:sc= -0.076 K(o=-0.076,f=-3.3!) USER MOD Single : A 24 CYS SG : rot -4:sc= -7.13! USER MOD Single : A 26 THR OG1 : rot 77:sc= 1.28 USER MOD Single : A 29 MET CE :methyl -137:sc= -2.55! (180deg=-5.63!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN :FLIP amide:sc= -0.457 F(o=-3.5,f=-0.46) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 160:sc= -0.0907 (180deg=-0.477) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 167:sc= -0.0384 (180deg=-0.261) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 ASN :FLIP amide:sc= -3.1! C(o=-5.1!,f=-3.1!) USER MOD Single : A 53 THR OG1 : rot 180:sc= -1.6! USER MOD Single : A 55 HIS : no HD1:sc= -1.03 K(o=-1,f=-2.8!) USER MOD Single : A 56 CYS SG : rot 38:sc= -2.19 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 ASN :FLIP amide:sc= -0.249 F(o=-1.8,f=-0.25) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot -21:sc= 0.364 USER MOD Single : A 69 THR OG1 : rot -82:sc= 0.816 USER MOD Single : A 70 HIS :FLIP no HE2:sc= -0.491 F(o=-1.5,f=-0.49) USER MOD Single : A 72 THR OG1 : rot 7:sc= 0.914 USER MOD Single : A 73 LYS NZ :NH3+ -166:sc= -0.0349 (180deg=-0.272) USER MOD Single : A 82 GLN :FLIP amide:sc= 0 F(o=-0.94!,f=0) USER MOD Single : A 89 LYS NZ :NH3+ 161:sc= -0.0976 (180deg=-0.456) USER MOD Single : A 90 SER OG : rot 57:sc= 0.222 USER MOD ----------------------------------------------------------------- ATOM 89 N ALA A 6 4.957 6.222 7.139 1.00 0.00 N ATOM 90 CA ALA A 6 4.759 4.831 6.752 1.00 0.00 C ATOM 91 C ALA A 6 4.866 3.904 7.959 1.00 0.00 C ATOM 92 O ALA A 6 5.868 3.212 8.136 1.00 0.00 O ATOM 93 CB ALA A 6 5.769 4.431 5.687 1.00 0.00 C ATOM 0 HA ALA A 6 3.754 4.734 6.340 1.00 0.00 H new ATOM 0 HB1 ALA A 6 5.610 3.390 5.407 1.00 0.00 H new ATOM 0 HB2 ALA A 6 5.643 5.066 4.810 1.00 0.00 H new ATOM 0 HB3 ALA A 6 6.779 4.551 6.080 1.00 0.00 H new ATOM 99 N VAL A 7 3.827 3.898 8.790 1.00 0.00 N ATOM 100 CA VAL A 7 3.811 3.057 9.982 1.00 0.00 C ATOM 101 C VAL A 7 2.837 1.893 9.827 1.00 0.00 C ATOM 102 O VAL A 7 1.628 2.093 9.711 1.00 0.00 O ATOM 103 CB VAL A 7 3.431 3.870 11.237 1.00 0.00 C ATOM 104 CG1 VAL A 7 3.471 2.994 12.484 1.00 0.00 C ATOM 105 CG2 VAL A 7 4.351 5.071 11.392 1.00 0.00 C ATOM 0 H VAL A 7 2.988 4.464 8.660 1.00 0.00 H new ATOM 0 HA VAL A 7 4.820 2.664 10.104 1.00 0.00 H new ATOM 0 HB VAL A 7 2.411 4.233 11.113 1.00 0.00 H new ATOM 0 HG11 VAL A 7 3.199 3.589 13.356 1.00 0.00 H new ATOM 0 HG12 VAL A 7 2.766 2.171 12.373 1.00 0.00 H new ATOM 0 HG13 VAL A 7 4.477 2.595 12.616 1.00 0.00 H new ATOM 0 HG21 VAL A 7 4.069 5.633 12.282 1.00 0.00 H new ATOM 0 HG22 VAL A 7 5.382 4.730 11.490 1.00 0.00 H new ATOM 0 HG23 VAL A 7 4.263 5.712 10.515 1.00 0.00 H new ATOM 115 N ILE A 8 3.373 0.675 9.832 1.00 0.00 N ATOM 116 CA ILE A 8 2.552 -0.522 9.696 1.00 0.00 C ATOM 117 C ILE A 8 1.823 -0.827 11.001 1.00 0.00 C ATOM 118 O ILE A 8 2.227 -0.367 12.070 1.00 0.00 O ATOM 119 CB ILE A 8 3.407 -1.743 9.295 1.00 0.00 C ATOM 120 CG1 ILE A 8 4.167 -1.453 7.999 1.00 0.00 C ATOM 121 CG2 ILE A 8 2.533 -2.980 9.133 1.00 0.00 C ATOM 122 CD1 ILE A 8 5.041 -2.601 7.541 1.00 0.00 C ATOM 0 H ILE A 8 4.372 0.492 9.929 1.00 0.00 H new ATOM 0 HA ILE A 8 1.822 -0.328 8.910 1.00 0.00 H new ATOM 0 HB ILE A 8 4.129 -1.936 10.089 1.00 0.00 H new ATOM 0 HG12 ILE A 8 3.451 -1.216 7.212 1.00 0.00 H new ATOM 0 HG13 ILE A 8 4.788 -0.569 8.142 1.00 0.00 H new ATOM 0 HG21 ILE A 8 3.154 -3.830 8.850 1.00 0.00 H new ATOM 0 HG22 ILE A 8 2.030 -3.196 10.075 1.00 0.00 H new ATOM 0 HG23 ILE A 8 1.789 -2.801 8.357 1.00 0.00 H new ATOM 0 HD11 ILE A 8 5.549 -2.325 6.617 1.00 0.00 H new ATOM 0 HD12 ILE A 8 5.781 -2.824 8.310 1.00 0.00 H new ATOM 0 HD13 ILE A 8 4.423 -3.482 7.366 1.00 0.00 H new ATOM 134 N LYS A 9 0.744 -1.599 10.910 1.00 0.00 N ATOM 135 CA LYS A 9 -0.040 -1.954 12.089 1.00 0.00 C ATOM 136 C LYS A 9 -0.289 -3.457 12.156 1.00 0.00 C ATOM 137 O LYS A 9 0.304 -4.157 12.979 1.00 0.00 O ATOM 138 CB LYS A 9 -1.375 -1.206 12.084 1.00 0.00 C ATOM 139 CG LYS A 9 -1.236 0.308 12.120 1.00 0.00 C ATOM 140 CD LYS A 9 -1.143 0.846 13.542 1.00 0.00 C ATOM 141 CE LYS A 9 0.017 0.236 14.313 1.00 0.00 C ATOM 142 NZ LYS A 9 0.185 0.862 15.653 1.00 0.00 N ATOM 0 H LYS A 9 0.393 -1.990 10.035 1.00 0.00 H new ATOM 0 HA LYS A 9 0.532 -1.663 12.970 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.934 -1.488 11.192 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -1.963 -1.527 12.944 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -0.346 0.602 11.564 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -2.091 0.761 11.618 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -1.027 1.929 13.512 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -2.075 0.640 14.068 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -0.149 -0.835 14.431 1.00 0.00 H new ATOM 0 HE3 LYS A 9 0.936 0.355 13.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 0.986 0.418 16.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 0.369 1.879 15.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -0.682 0.727 16.211 1.00 0.00 H new ATOM 156 N ASN A 10 -1.174 -3.950 11.295 1.00 0.00 N ATOM 157 CA ASN A 10 -1.499 -5.370 11.268 1.00 0.00 C ATOM 158 C ASN A 10 -0.892 -6.056 10.055 1.00 0.00 C ATOM 159 O ASN A 10 -0.337 -5.407 9.168 1.00 0.00 O ATOM 160 CB ASN A 10 -3.014 -5.572 11.274 1.00 0.00 C ATOM 161 CG ASN A 10 -3.648 -5.167 12.588 1.00 0.00 C ATOM 162 OD1 ASN A 10 -3.580 -4.006 12.993 1.00 0.00 O ATOM 163 ND2 ASN A 10 -4.263 -6.128 13.264 1.00 0.00 N ATOM 0 H ASN A 10 -1.677 -3.388 10.609 1.00 0.00 H new ATOM 0 HA ASN A 10 -1.073 -5.822 12.164 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -3.458 -4.991 10.466 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -3.238 -6.620 11.074 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -4.705 -5.919 14.159 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -4.294 -7.076 12.889 1.00 0.00 H new ATOM 170 N ALA A 11 -1.009 -7.379 10.026 1.00 0.00 N ATOM 171 CA ALA A 11 -0.480 -8.178 8.928 1.00 0.00 C ATOM 172 C ALA A 11 -0.562 -9.665 9.256 1.00 0.00 C ATOM 173 O ALA A 11 0.315 -10.211 9.925 1.00 0.00 O ATOM 174 CB ALA A 11 0.961 -7.786 8.626 1.00 0.00 C ATOM 0 H ALA A 11 -1.469 -7.923 10.756 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.087 -7.983 8.044 1.00 0.00 H new ATOM 0 HB1 ALA A 11 1.339 -8.393 7.803 1.00 0.00 H new ATOM 0 HB2 ALA A 11 1.001 -6.733 8.347 1.00 0.00 H new ATOM 0 HB3 ALA A 11 1.576 -7.951 9.511 1.00 0.00 H new ATOM 180 N ASP A 12 -1.619 -10.316 8.783 1.00 0.00 N ATOM 181 CA ASP A 12 -1.811 -11.741 9.033 1.00 0.00 C ATOM 182 C ASP A 12 -1.197 -12.584 7.916 1.00 0.00 C ATOM 183 O ASP A 12 -1.783 -13.573 7.477 1.00 0.00 O ATOM 184 CB ASP A 12 -3.300 -12.063 9.176 1.00 0.00 C ATOM 185 CG ASP A 12 -3.928 -11.377 10.374 1.00 0.00 C ATOM 186 OD1 ASP A 12 -3.213 -10.631 11.076 1.00 0.00 O ATOM 187 OD2 ASP A 12 -5.136 -11.587 10.613 1.00 0.00 O ATOM 0 H ASP A 12 -2.355 -9.882 8.226 1.00 0.00 H new ATOM 0 HA ASP A 12 -1.304 -11.988 9.966 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -3.824 -11.757 8.270 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -3.428 -13.141 9.270 1.00 0.00 H new ATOM 192 N MET A 13 -0.011 -12.187 7.470 1.00 0.00 N ATOM 193 CA MET A 13 0.692 -12.899 6.416 1.00 0.00 C ATOM 194 C MET A 13 2.014 -13.452 6.940 1.00 0.00 C ATOM 195 O MET A 13 2.316 -13.333 8.128 1.00 0.00 O ATOM 196 CB MET A 13 0.935 -11.963 5.232 1.00 0.00 C ATOM 197 CG MET A 13 -0.321 -11.639 4.445 1.00 0.00 C ATOM 198 SD MET A 13 -1.009 -13.083 3.615 1.00 0.00 S ATOM 199 CE MET A 13 -2.461 -12.366 2.853 1.00 0.00 C ATOM 0 H MET A 13 0.485 -11.370 7.826 1.00 0.00 H new ATOM 0 HA MET A 13 0.079 -13.736 6.083 1.00 0.00 H new ATOM 0 HB2 MET A 13 1.374 -11.035 5.598 1.00 0.00 H new ATOM 0 HB3 MET A 13 1.665 -12.419 4.563 1.00 0.00 H new ATOM 0 HG2 MET A 13 -1.069 -11.220 5.118 1.00 0.00 H new ATOM 0 HG3 MET A 13 -0.094 -10.872 3.704 1.00 0.00 H new ATOM 0 HE1 MET A 13 -2.848 -13.047 2.095 1.00 0.00 H new ATOM 0 HE2 MET A 13 -3.224 -12.197 3.612 1.00 0.00 H new ATOM 0 HE3 MET A 13 -2.196 -11.417 2.387 1.00 0.00 H new ATOM 209 N SER A 14 2.795 -14.060 6.056 1.00 0.00 N ATOM 210 CA SER A 14 4.078 -14.632 6.445 1.00 0.00 C ATOM 211 C SER A 14 5.113 -13.543 6.707 1.00 0.00 C ATOM 212 O SER A 14 5.872 -13.623 7.671 1.00 0.00 O ATOM 213 CB SER A 14 4.586 -15.581 5.358 1.00 0.00 C ATOM 214 OG SER A 14 3.674 -16.644 5.141 1.00 0.00 O ATOM 0 H SER A 14 2.564 -14.170 5.069 1.00 0.00 H new ATOM 0 HA SER A 14 3.928 -15.190 7.369 1.00 0.00 H new ATOM 0 HB2 SER A 14 4.734 -15.029 4.430 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.557 -15.984 5.647 1.00 0.00 H new ATOM 0 HG SER A 14 4.021 -17.235 4.441 1.00 0.00 H new ATOM 220 N GLU A 15 5.126 -12.532 5.837 1.00 0.00 N ATOM 221 CA GLU A 15 6.060 -11.399 5.933 1.00 0.00 C ATOM 222 C GLU A 15 6.337 -10.822 4.551 1.00 0.00 C ATOM 223 O GLU A 15 6.481 -9.608 4.379 1.00 0.00 O ATOM 224 CB GLU A 15 7.389 -11.803 6.585 1.00 0.00 C ATOM 225 CG GLU A 15 8.079 -12.969 5.894 1.00 0.00 C ATOM 226 CD GLU A 15 9.393 -13.342 6.554 1.00 0.00 C ATOM 227 OE1 GLU A 15 10.295 -12.479 6.607 1.00 0.00 O ATOM 228 OE2 GLU A 15 9.518 -14.495 7.017 1.00 0.00 O ATOM 0 H GLU A 15 4.489 -12.472 5.042 1.00 0.00 H new ATOM 0 HA GLU A 15 5.585 -10.647 6.563 1.00 0.00 H new ATOM 0 HB2 GLU A 15 8.060 -10.944 6.585 1.00 0.00 H new ATOM 0 HB3 GLU A 15 7.207 -12.066 7.627 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.416 -13.834 5.899 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.261 -12.712 4.850 1.00 0.00 H new ATOM 235 N ASP A 16 6.398 -11.701 3.560 1.00 0.00 N ATOM 236 CA ASP A 16 6.650 -11.283 2.189 1.00 0.00 C ATOM 237 C ASP A 16 5.519 -10.395 1.687 1.00 0.00 C ATOM 238 O ASP A 16 5.646 -9.742 0.652 1.00 0.00 O ATOM 239 CB ASP A 16 6.805 -12.502 1.279 1.00 0.00 C ATOM 240 CG ASP A 16 7.099 -12.118 -0.159 1.00 0.00 C ATOM 241 OD1 ASP A 16 8.130 -11.456 -0.396 1.00 0.00 O ATOM 242 OD2 ASP A 16 6.298 -12.481 -1.046 1.00 0.00 O ATOM 0 H ASP A 16 6.277 -12.707 3.680 1.00 0.00 H new ATOM 0 HA ASP A 16 7.578 -10.712 2.169 1.00 0.00 H new ATOM 0 HB2 ASP A 16 7.610 -13.133 1.655 1.00 0.00 H new ATOM 0 HB3 ASP A 16 5.892 -13.096 1.314 1.00 0.00 H new ATOM 247 N MET A 17 4.414 -10.373 2.424 1.00 0.00 N ATOM 248 CA MET A 17 3.271 -9.565 2.044 1.00 0.00 C ATOM 249 C MET A 17 3.365 -8.176 2.631 1.00 0.00 C ATOM 250 O MET A 17 3.136 -7.195 1.933 1.00 0.00 O ATOM 251 CB MET A 17 1.973 -10.251 2.456 1.00 0.00 C ATOM 252 CG MET A 17 1.670 -11.505 1.653 1.00 0.00 C ATOM 253 SD MET A 17 1.528 -11.179 -0.114 1.00 0.00 S ATOM 254 CE MET A 17 0.179 -10.002 -0.133 1.00 0.00 C ATOM 0 H MET A 17 4.290 -10.905 3.285 1.00 0.00 H new ATOM 0 HA MET A 17 3.272 -9.462 0.959 1.00 0.00 H new ATOM 0 HB2 MET A 17 2.028 -10.510 3.513 1.00 0.00 H new ATOM 0 HB3 MET A 17 1.148 -9.548 2.343 1.00 0.00 H new ATOM 0 HG2 MET A 17 2.458 -12.239 1.821 1.00 0.00 H new ATOM 0 HG3 MET A 17 0.741 -11.947 2.013 1.00 0.00 H new ATOM 0 HE1 MET A 17 -0.352 -10.073 -1.082 1.00 0.00 H new ATOM 0 HE2 MET A 17 -0.508 -10.222 0.684 1.00 0.00 H new ATOM 0 HE3 MET A 17 0.574 -8.993 -0.013 1.00 0.00 H new ATOM 264 N GLN A 18 3.746 -8.077 3.892 1.00 0.00 N ATOM 265 CA GLN A 18 3.913 -6.764 4.489 1.00 0.00 C ATOM 266 C GLN A 18 5.092 -6.078 3.807 1.00 0.00 C ATOM 267 O GLN A 18 5.222 -4.852 3.843 1.00 0.00 O ATOM 268 CB GLN A 18 4.111 -6.817 6.014 1.00 0.00 C ATOM 269 CG GLN A 18 4.740 -8.096 6.539 1.00 0.00 C ATOM 270 CD GLN A 18 3.723 -9.208 6.730 1.00 0.00 C ATOM 271 OE1 GLN A 18 3.068 -9.638 5.782 1.00 0.00 O ATOM 272 NE2 GLN A 18 3.588 -9.677 7.965 1.00 0.00 N ATOM 0 H GLN A 18 3.941 -8.866 4.508 1.00 0.00 H new ATOM 0 HA GLN A 18 2.997 -6.195 4.334 1.00 0.00 H new ATOM 0 HB2 GLN A 18 4.735 -5.975 6.313 1.00 0.00 H new ATOM 0 HB3 GLN A 18 3.142 -6.683 6.495 1.00 0.00 H new ATOM 0 HG2 GLN A 18 5.512 -8.429 5.845 1.00 0.00 H new ATOM 0 HG3 GLN A 18 5.233 -7.891 7.489 1.00 0.00 H new ATOM 0 HE21 GLN A 18 4.152 -9.291 8.722 1.00 0.00 H new ATOM 0 HE22 GLN A 18 2.920 -10.424 8.157 1.00 0.00 H new ATOM 281 N GLN A 19 5.928 -6.884 3.141 1.00 0.00 N ATOM 282 CA GLN A 19 7.073 -6.357 2.413 1.00 0.00 C ATOM 283 C GLN A 19 6.649 -5.949 1.010 1.00 0.00 C ATOM 284 O GLN A 19 6.966 -4.854 0.549 1.00 0.00 O ATOM 285 CB GLN A 19 8.201 -7.389 2.350 1.00 0.00 C ATOM 286 CG GLN A 19 8.812 -7.705 3.707 1.00 0.00 C ATOM 287 CD GLN A 19 9.910 -8.746 3.625 1.00 0.00 C ATOM 288 OE1 GLN A 19 9.678 -9.876 3.191 1.00 0.00 O ATOM 289 NE2 GLN A 19 11.113 -8.373 4.045 1.00 0.00 N ATOM 0 H GLN A 19 5.828 -7.898 3.095 1.00 0.00 H new ATOM 0 HA GLN A 19 7.447 -5.480 2.942 1.00 0.00 H new ATOM 0 HB2 GLN A 19 7.816 -8.309 1.911 1.00 0.00 H new ATOM 0 HB3 GLN A 19 8.983 -7.021 1.685 1.00 0.00 H new ATOM 0 HG2 GLN A 19 9.216 -6.790 4.141 1.00 0.00 H new ATOM 0 HG3 GLN A 19 8.031 -8.059 4.379 1.00 0.00 H new ATOM 0 HE21 GLN A 19 11.260 -7.427 4.397 1.00 0.00 H new ATOM 0 HE22 GLN A 19 11.891 -9.033 4.016 1.00 0.00 H new ATOM 298 N ASP A 20 5.899 -6.823 0.346 1.00 0.00 N ATOM 299 CA ASP A 20 5.399 -6.528 -0.990 1.00 0.00 C ATOM 300 C ASP A 20 4.284 -5.492 -0.898 1.00 0.00 C ATOM 301 O ASP A 20 3.978 -4.798 -1.865 1.00 0.00 O ATOM 302 CB ASP A 20 4.887 -7.799 -1.672 1.00 0.00 C ATOM 303 CG ASP A 20 5.984 -8.825 -1.885 1.00 0.00 C ATOM 304 OD1 ASP A 20 7.140 -8.549 -1.501 1.00 0.00 O ATOM 305 OD2 ASP A 20 5.685 -9.906 -2.437 1.00 0.00 O ATOM 0 H ASP A 20 5.626 -7.736 0.710 1.00 0.00 H new ATOM 0 HA ASP A 20 6.216 -6.128 -1.591 1.00 0.00 H new ATOM 0 HB2 ASP A 20 4.095 -8.239 -1.066 1.00 0.00 H new ATOM 0 HB3 ASP A 20 4.445 -7.539 -2.634 1.00 0.00 H new ATOM 310 N ALA A 21 3.697 -5.392 0.292 1.00 0.00 N ATOM 311 CA ALA A 21 2.633 -4.438 0.548 1.00 0.00 C ATOM 312 C ALA A 21 3.209 -3.040 0.671 1.00 0.00 C ATOM 313 O ALA A 21 2.773 -2.112 -0.011 1.00 0.00 O ATOM 314 CB ALA A 21 1.867 -4.814 1.808 1.00 0.00 C ATOM 0 H ALA A 21 3.946 -5.967 1.097 1.00 0.00 H new ATOM 0 HA ALA A 21 1.936 -4.458 -0.290 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.074 -4.087 1.982 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.430 -5.805 1.686 1.00 0.00 H new ATOM 0 HB3 ALA A 21 2.548 -4.820 2.659 1.00 0.00 H new ATOM 320 N VAL A 22 4.211 -2.901 1.531 1.00 0.00 N ATOM 321 CA VAL A 22 4.863 -1.616 1.718 1.00 0.00 C ATOM 322 C VAL A 22 5.543 -1.185 0.428 1.00 0.00 C ATOM 323 O VAL A 22 5.680 0.007 0.153 1.00 0.00 O ATOM 324 CB VAL A 22 5.903 -1.665 2.855 1.00 0.00 C ATOM 325 CG1 VAL A 22 6.555 -0.304 3.050 1.00 0.00 C ATOM 326 CG2 VAL A 22 5.257 -2.143 4.147 1.00 0.00 C ATOM 0 H VAL A 22 4.585 -3.657 2.104 1.00 0.00 H new ATOM 0 HA VAL A 22 4.094 -0.893 1.992 1.00 0.00 H new ATOM 0 HB VAL A 22 6.681 -2.375 2.577 1.00 0.00 H new ATOM 0 HG11 VAL A 22 7.285 -0.363 3.857 1.00 0.00 H new ATOM 0 HG12 VAL A 22 7.056 -0.005 2.129 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.792 0.432 3.304 1.00 0.00 H new ATOM 0 HG21 VAL A 22 6.005 -2.172 4.939 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.457 -1.459 4.429 1.00 0.00 H new ATOM 0 HG23 VAL A 22 4.846 -3.142 4.000 1.00 0.00 H new ATOM 336 N ASP A 23 5.950 -2.166 -0.373 1.00 0.00 N ATOM 337 CA ASP A 23 6.596 -1.883 -1.648 1.00 0.00 C ATOM 338 C ASP A 23 5.573 -1.479 -2.671 1.00 0.00 C ATOM 339 O ASP A 23 5.683 -0.414 -3.265 1.00 0.00 O ATOM 340 CB ASP A 23 7.404 -3.085 -2.138 1.00 0.00 C ATOM 341 CG ASP A 23 8.530 -3.452 -1.190 1.00 0.00 C ATOM 342 OD1 ASP A 23 8.683 -2.771 -0.154 1.00 0.00 O ATOM 343 OD2 ASP A 23 9.261 -4.422 -1.484 1.00 0.00 O ATOM 0 H ASP A 23 5.844 -3.158 -0.162 1.00 0.00 H new ATOM 0 HA ASP A 23 7.290 -1.055 -1.501 1.00 0.00 H new ATOM 0 HB2 ASP A 23 6.740 -3.941 -2.257 1.00 0.00 H new ATOM 0 HB3 ASP A 23 7.819 -2.864 -3.121 1.00 0.00 H new ATOM 348 N CYS A 24 4.559 -2.301 -2.861 1.00 0.00 N ATOM 349 CA CYS A 24 3.518 -1.956 -3.808 1.00 0.00 C ATOM 350 C CYS A 24 2.901 -0.619 -3.414 1.00 0.00 C ATOM 351 O CYS A 24 2.278 0.046 -4.233 1.00 0.00 O ATOM 352 CB CYS A 24 2.442 -3.043 -3.872 1.00 0.00 C ATOM 353 SG CYS A 24 1.462 -3.207 -2.365 1.00 0.00 S ATOM 0 H CYS A 24 4.435 -3.194 -2.383 1.00 0.00 H new ATOM 0 HA CYS A 24 3.962 -1.875 -4.800 1.00 0.00 H new ATOM 0 HB2 CYS A 24 1.773 -2.827 -4.705 1.00 0.00 H new ATOM 0 HB3 CYS A 24 2.920 -3.999 -4.087 1.00 0.00 H new ATOM 0 HG CYS A 24 1.926 -2.402 -1.456 1.00 0.00 H new ATOM 359 N ALA A 25 3.106 -0.222 -2.155 1.00 0.00 N ATOM 360 CA ALA A 25 2.585 1.047 -1.670 1.00 0.00 C ATOM 361 C ALA A 25 3.561 2.171 -1.982 1.00 0.00 C ATOM 362 O ALA A 25 3.159 3.304 -2.239 1.00 0.00 O ATOM 363 CB ALA A 25 2.310 0.973 -0.175 1.00 0.00 C ATOM 0 H ALA A 25 3.626 -0.760 -1.462 1.00 0.00 H new ATOM 0 HA ALA A 25 1.644 1.256 -2.180 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.921 1.931 0.171 1.00 0.00 H new ATOM 0 HB2 ALA A 25 1.577 0.191 0.022 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.235 0.745 0.354 1.00 0.00 H new ATOM 369 N THR A 26 4.849 1.845 -1.970 1.00 0.00 N ATOM 370 CA THR A 26 5.881 2.828 -2.263 1.00 0.00 C ATOM 371 C THR A 26 5.971 3.062 -3.763 1.00 0.00 C ATOM 372 O THR A 26 6.075 4.202 -4.219 1.00 0.00 O ATOM 373 CB THR A 26 7.232 2.369 -1.716 1.00 0.00 C ATOM 374 OG1 THR A 26 7.165 2.177 -0.313 1.00 0.00 O ATOM 375 CG2 THR A 26 8.355 3.348 -1.990 1.00 0.00 C ATOM 0 H THR A 26 5.201 0.911 -1.761 1.00 0.00 H new ATOM 0 HA THR A 26 5.614 3.766 -1.776 1.00 0.00 H new ATOM 0 HB THR A 26 7.451 1.436 -2.235 1.00 0.00 H new ATOM 0 HG1 THR A 26 6.704 1.334 -0.120 1.00 0.00 H new ATOM 0 HG21 THR A 26 9.285 2.960 -1.575 1.00 0.00 H new ATOM 0 HG22 THR A 26 8.466 3.482 -3.066 1.00 0.00 H new ATOM 0 HG23 THR A 26 8.123 4.307 -1.527 1.00 0.00 H new ATOM 383 N GLN A 27 5.916 1.980 -4.529 1.00 0.00 N ATOM 384 CA GLN A 27 5.976 2.088 -5.982 1.00 0.00 C ATOM 385 C GLN A 27 4.645 2.582 -6.521 1.00 0.00 C ATOM 386 O GLN A 27 4.606 3.311 -7.514 1.00 0.00 O ATOM 387 CB GLN A 27 6.360 0.749 -6.617 1.00 0.00 C ATOM 388 CG GLN A 27 5.375 -0.371 -6.342 1.00 0.00 C ATOM 389 CD GLN A 27 5.935 -1.732 -6.707 1.00 0.00 C ATOM 390 OE1 GLN A 27 6.135 -2.574 -5.700 1.00 0.00 O flip ATOM 391 NE2 GLN A 27 6.197 -2.016 -7.876 1.00 0.00 N flip ATOM 0 H GLN A 27 5.831 1.027 -4.174 1.00 0.00 H new ATOM 0 HA GLN A 27 6.749 2.810 -6.245 1.00 0.00 H new ATOM 0 HB2 GLN A 27 6.450 0.883 -7.695 1.00 0.00 H new ATOM 0 HB3 GLN A 27 7.342 0.453 -6.249 1.00 0.00 H new ATOM 0 HG2 GLN A 27 5.105 -0.363 -5.286 1.00 0.00 H new ATOM 0 HG3 GLN A 27 4.460 -0.194 -6.907 1.00 0.00 H new ATOM 0 HE21 GLN A 27 6.026 -1.336 -8.617 1.00 0.00 H new ATOM 0 HE22 GLN A 27 6.585 -2.931 -8.104 1.00 0.00 H new ATOM 400 N ALA A 28 3.555 2.215 -5.854 1.00 0.00 N ATOM 401 CA ALA A 28 2.245 2.670 -6.282 1.00 0.00 C ATOM 402 C ALA A 28 2.117 4.167 -6.047 1.00 0.00 C ATOM 403 O ALA A 28 1.544 4.885 -6.862 1.00 0.00 O ATOM 404 CB ALA A 28 1.131 1.926 -5.565 1.00 0.00 C ATOM 0 H ALA A 28 3.555 1.614 -5.030 1.00 0.00 H new ATOM 0 HA ALA A 28 2.146 2.460 -7.347 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.166 2.294 -5.912 1.00 0.00 H new ATOM 0 HB2 ALA A 28 1.210 0.860 -5.777 1.00 0.00 H new ATOM 0 HB3 ALA A 28 1.217 2.089 -4.491 1.00 0.00 H new ATOM 410 N MET A 29 2.675 4.633 -4.931 1.00 0.00 N ATOM 411 CA MET A 29 2.639 6.048 -4.593 1.00 0.00 C ATOM 412 C MET A 29 3.684 6.819 -5.390 1.00 0.00 C ATOM 413 O MET A 29 3.564 8.031 -5.579 1.00 0.00 O ATOM 414 CB MET A 29 2.862 6.250 -3.092 1.00 0.00 C ATOM 415 CG MET A 29 1.707 5.761 -2.235 1.00 0.00 C ATOM 416 SD MET A 29 0.178 6.664 -2.552 1.00 0.00 S ATOM 417 CE MET A 29 -0.938 5.850 -1.412 1.00 0.00 C ATOM 0 H MET A 29 3.157 4.048 -4.248 1.00 0.00 H new ATOM 0 HA MET A 29 1.653 6.433 -4.852 1.00 0.00 H new ATOM 0 HB2 MET A 29 3.771 5.727 -2.795 1.00 0.00 H new ATOM 0 HB3 MET A 29 3.025 7.310 -2.897 1.00 0.00 H new ATOM 0 HG2 MET A 29 1.544 4.700 -2.423 1.00 0.00 H new ATOM 0 HG3 MET A 29 1.972 5.861 -1.183 1.00 0.00 H new ATOM 0 HE1 MET A 29 -1.894 5.670 -1.904 1.00 0.00 H new ATOM 0 HE2 MET A 29 -0.507 4.899 -1.097 1.00 0.00 H new ATOM 0 HE3 MET A 29 -1.093 6.484 -0.539 1.00 0.00 H new ATOM 427 N GLU A 30 4.699 6.108 -5.868 1.00 0.00 N ATOM 428 CA GLU A 30 5.754 6.720 -6.654 1.00 0.00 C ATOM 429 C GLU A 30 5.328 6.807 -8.115 1.00 0.00 C ATOM 430 O GLU A 30 5.571 7.807 -8.790 1.00 0.00 O ATOM 431 CB GLU A 30 7.041 5.907 -6.525 1.00 0.00 C ATOM 432 CG GLU A 30 8.177 6.422 -7.388 1.00 0.00 C ATOM 433 CD GLU A 30 8.576 7.843 -7.040 1.00 0.00 C ATOM 434 OE1 GLU A 30 7.717 8.744 -7.143 1.00 0.00 O ATOM 435 OE2 GLU A 30 9.748 8.055 -6.665 1.00 0.00 O ATOM 0 H GLU A 30 4.810 5.105 -5.722 1.00 0.00 H new ATOM 0 HA GLU A 30 5.938 7.727 -6.281 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.359 5.909 -5.482 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.834 4.871 -6.793 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.041 5.768 -7.273 1.00 0.00 H new ATOM 0 HG3 GLU A 30 7.881 6.378 -8.436 1.00 0.00 H new ATOM 442 N LYS A 31 4.678 5.749 -8.588 1.00 0.00 N ATOM 443 CA LYS A 31 4.197 5.692 -9.965 1.00 0.00 C ATOM 444 C LYS A 31 2.814 6.330 -10.078 1.00 0.00 C ATOM 445 O LYS A 31 2.476 6.932 -11.097 1.00 0.00 O ATOM 446 CB LYS A 31 4.145 4.244 -10.451 1.00 0.00 C ATOM 447 CG LYS A 31 3.673 4.101 -11.889 1.00 0.00 C ATOM 448 CD LYS A 31 4.595 4.833 -12.851 1.00 0.00 C ATOM 449 CE LYS A 31 4.125 4.688 -14.291 1.00 0.00 C ATOM 450 NZ LYS A 31 5.021 5.400 -15.242 1.00 0.00 N ATOM 0 H LYS A 31 4.471 4.916 -8.036 1.00 0.00 H new ATOM 0 HA LYS A 31 4.891 6.251 -10.593 1.00 0.00 H new ATOM 0 HB2 LYS A 31 5.137 3.802 -10.357 1.00 0.00 H new ATOM 0 HB3 LYS A 31 3.480 3.675 -9.801 1.00 0.00 H new ATOM 0 HG2 LYS A 31 3.630 3.045 -12.156 1.00 0.00 H new ATOM 0 HG3 LYS A 31 2.661 4.495 -11.982 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.636 5.889 -12.585 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.608 4.441 -12.756 1.00 0.00 H new ATOM 0 HE2 LYS A 31 4.083 3.631 -14.554 1.00 0.00 H new ATOM 0 HE3 LYS A 31 3.112 5.080 -14.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 4.666 5.277 -16.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 5.042 6.413 -15.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 5.982 5.009 -15.173 1.00 0.00 H new ATOM 464 N TYR A 32 2.025 6.201 -9.015 1.00 0.00 N ATOM 465 CA TYR A 32 0.679 6.769 -8.976 1.00 0.00 C ATOM 466 C TYR A 32 0.491 7.598 -7.720 1.00 0.00 C ATOM 467 O TYR A 32 0.849 7.180 -6.623 1.00 0.00 O ATOM 468 CB TYR A 32 -0.376 5.662 -9.047 1.00 0.00 C ATOM 469 CG TYR A 32 -0.498 5.032 -10.416 1.00 0.00 C ATOM 470 CD1 TYR A 32 -0.809 5.803 -11.528 1.00 0.00 C ATOM 471 CD2 TYR A 32 -0.302 3.668 -10.598 1.00 0.00 C ATOM 472 CE1 TYR A 32 -0.924 5.236 -12.783 1.00 0.00 C ATOM 473 CE2 TYR A 32 -0.414 3.092 -11.851 1.00 0.00 C ATOM 474 CZ TYR A 32 -0.725 3.880 -12.938 1.00 0.00 C ATOM 475 OH TYR A 32 -0.838 3.311 -14.185 1.00 0.00 O ATOM 0 H TYR A 32 2.295 5.706 -8.165 1.00 0.00 H new ATOM 0 HA TYR A 32 0.555 7.418 -9.843 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -0.129 4.888 -8.320 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -1.343 6.073 -8.758 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -0.964 6.865 -11.410 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -0.058 3.048 -9.748 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -1.168 5.851 -13.637 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -0.259 2.031 -11.977 1.00 0.00 H new ATOM 0 HH TYR A 32 -0.667 2.348 -14.122 1.00 0.00 H new ATOM 485 N ASN A 33 -0.071 8.786 -7.886 1.00 0.00 N ATOM 486 CA ASN A 33 -0.304 9.678 -6.764 1.00 0.00 C ATOM 487 C ASN A 33 -1.795 9.802 -6.485 1.00 0.00 C ATOM 488 O ASN A 33 -2.231 10.697 -5.760 1.00 0.00 O ATOM 489 CB ASN A 33 0.303 11.056 -7.050 1.00 0.00 C ATOM 490 CG ASN A 33 1.808 11.015 -7.297 1.00 0.00 C ATOM 491 OD1 ASN A 33 2.449 9.880 -7.012 1.00 0.00 O flip ATOM 492 ND2 ASN A 33 2.397 12.009 -7.723 1.00 0.00 N flip ATOM 0 H ASN A 33 -0.374 9.153 -8.788 1.00 0.00 H new ATOM 0 HA ASN A 33 0.178 9.261 -5.880 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -0.189 11.488 -7.921 1.00 0.00 H new ATOM 0 HB3 ASN A 33 0.098 11.717 -6.208 1.00 0.00 H new ATOM 0 HD21 ASN A 33 1.876 12.861 -7.931 1.00 0.00 H new ATOM 0 HD22 ASN A 33 3.406 11.981 -7.868 1.00 0.00 H new ATOM 499 N ILE A 34 -2.577 8.893 -7.065 1.00 0.00 N ATOM 500 CA ILE A 34 -4.018 8.899 -6.875 1.00 0.00 C ATOM 501 C ILE A 34 -4.401 7.989 -5.713 1.00 0.00 C ATOM 502 O ILE A 34 -3.554 7.602 -4.909 1.00 0.00 O ATOM 503 CB ILE A 34 -4.758 8.419 -8.144 1.00 0.00 C ATOM 504 CG1 ILE A 34 -3.852 8.489 -9.376 1.00 0.00 C ATOM 505 CG2 ILE A 34 -6.031 9.230 -8.355 1.00 0.00 C ATOM 506 CD1 ILE A 34 -4.594 8.422 -10.698 1.00 0.00 C ATOM 0 H ILE A 34 -2.233 8.146 -7.669 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.313 9.926 -6.661 1.00 0.00 H new ATOM 0 HB ILE A 34 -5.035 7.375 -8.000 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.280 9.416 -9.340 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.135 7.669 -9.333 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.541 8.880 -9.253 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.688 9.107 -7.494 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -5.776 10.284 -8.470 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.880 8.478 -11.519 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.145 7.483 -10.759 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.292 9.257 -10.766 1.00 0.00 H new ATOM 518 N GLU A 35 -5.680 7.632 -5.641 1.00 0.00 N ATOM 519 CA GLU A 35 -6.172 6.748 -4.597 1.00 0.00 C ATOM 520 C GLU A 35 -6.815 5.507 -5.210 1.00 0.00 C ATOM 521 O GLU A 35 -6.938 4.471 -4.557 1.00 0.00 O ATOM 522 CB GLU A 35 -7.175 7.477 -3.701 1.00 0.00 C ATOM 523 CG GLU A 35 -6.592 8.694 -3.000 1.00 0.00 C ATOM 524 CD GLU A 35 -7.603 9.398 -2.117 1.00 0.00 C ATOM 525 OE1 GLU A 35 -8.117 8.756 -1.176 1.00 0.00 O ATOM 526 OE2 GLU A 35 -7.880 10.590 -2.364 1.00 0.00 O ATOM 0 H GLU A 35 -6.395 7.945 -6.298 1.00 0.00 H new ATOM 0 HA GLU A 35 -5.326 6.437 -3.985 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -8.028 7.789 -4.304 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.552 6.782 -2.951 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.739 8.386 -2.395 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.217 9.394 -3.747 1.00 0.00 H new ATOM 533 N LYS A 36 -7.214 5.615 -6.476 1.00 0.00 N ATOM 534 CA LYS A 36 -7.830 4.506 -7.184 1.00 0.00 C ATOM 535 C LYS A 36 -6.786 3.726 -7.981 1.00 0.00 C ATOM 536 O LYS A 36 -7.006 2.569 -8.340 1.00 0.00 O ATOM 537 CB LYS A 36 -8.934 5.014 -8.116 1.00 0.00 C ATOM 538 CG LYS A 36 -8.439 5.993 -9.168 1.00 0.00 C ATOM 539 CD LYS A 36 -9.578 6.494 -10.040 1.00 0.00 C ATOM 540 CE LYS A 36 -9.087 7.483 -11.083 1.00 0.00 C ATOM 541 NZ LYS A 36 -10.197 7.984 -11.940 1.00 0.00 N ATOM 0 H LYS A 36 -7.119 6.466 -7.031 1.00 0.00 H new ATOM 0 HA LYS A 36 -8.273 3.836 -6.447 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -9.398 4.163 -8.614 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -9.709 5.496 -7.519 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -7.953 6.838 -8.680 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.687 5.510 -9.792 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.057 5.649 -10.535 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -10.335 6.968 -9.415 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.604 8.324 -10.586 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.332 7.006 -11.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.820 8.656 -12.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -10.642 7.184 -12.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -10.905 8.462 -11.347 1.00 0.00 H new ATOM 555 N ASP A 37 -5.638 4.356 -8.240 1.00 0.00 N ATOM 556 CA ASP A 37 -4.564 3.704 -8.973 1.00 0.00 C ATOM 557 C ASP A 37 -3.637 2.996 -8.005 1.00 0.00 C ATOM 558 O ASP A 37 -3.026 1.984 -8.342 1.00 0.00 O ATOM 559 CB ASP A 37 -3.787 4.716 -9.817 1.00 0.00 C ATOM 560 CG ASP A 37 -4.634 5.316 -10.921 1.00 0.00 C ATOM 561 OD1 ASP A 37 -5.684 5.914 -10.606 1.00 0.00 O ATOM 562 OD2 ASP A 37 -4.248 5.188 -12.102 1.00 0.00 O ATOM 0 H ASP A 37 -5.434 5.313 -7.952 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.000 2.969 -9.649 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -3.416 5.513 -9.173 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.916 4.228 -10.255 1.00 0.00 H new ATOM 567 N ILE A 38 -3.563 3.516 -6.787 1.00 0.00 N ATOM 568 CA ILE A 38 -2.741 2.908 -5.758 1.00 0.00 C ATOM 569 C ILE A 38 -3.415 1.632 -5.297 1.00 0.00 C ATOM 570 O ILE A 38 -2.766 0.635 -4.988 1.00 0.00 O ATOM 571 CB ILE A 38 -2.562 3.842 -4.546 1.00 0.00 C ATOM 572 CG1 ILE A 38 -2.172 5.242 -5.014 1.00 0.00 C ATOM 573 CG2 ILE A 38 -1.516 3.283 -3.595 1.00 0.00 C ATOM 574 CD1 ILE A 38 -0.903 5.270 -5.830 1.00 0.00 C ATOM 0 H ILE A 38 -4.062 4.355 -6.491 1.00 0.00 H new ATOM 0 HA ILE A 38 -1.756 2.706 -6.178 1.00 0.00 H new ATOM 0 HB ILE A 38 -3.509 3.907 -4.011 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -2.986 5.658 -5.608 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -2.050 5.887 -4.144 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -1.402 3.955 -2.744 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -1.832 2.301 -3.242 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.563 3.191 -4.116 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -0.685 6.295 -6.129 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -0.077 4.883 -5.232 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.028 4.651 -6.719 1.00 0.00 H new ATOM 586 N ALA A 39 -4.739 1.675 -5.295 1.00 0.00 N ATOM 587 CA ALA A 39 -5.542 0.528 -4.907 1.00 0.00 C ATOM 588 C ALA A 39 -5.692 -0.414 -6.088 1.00 0.00 C ATOM 589 O ALA A 39 -5.855 -1.623 -5.922 1.00 0.00 O ATOM 590 CB ALA A 39 -6.906 0.977 -4.404 1.00 0.00 C ATOM 0 H ALA A 39 -5.281 2.497 -5.560 1.00 0.00 H new ATOM 0 HA ALA A 39 -5.039 0.001 -4.096 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -7.494 0.105 -4.118 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -6.779 1.628 -3.539 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -7.424 1.520 -5.194 1.00 0.00 H new ATOM 596 N ALA A 40 -5.609 0.153 -7.286 1.00 0.00 N ATOM 597 CA ALA A 40 -5.711 -0.633 -8.503 1.00 0.00 C ATOM 598 C ALA A 40 -4.345 -1.180 -8.892 1.00 0.00 C ATOM 599 O ALA A 40 -4.244 -2.166 -9.618 1.00 0.00 O ATOM 600 CB ALA A 40 -6.291 0.207 -9.632 1.00 0.00 C ATOM 0 H ALA A 40 -5.472 1.152 -7.437 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.382 -1.472 -8.321 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.361 -0.397 -10.536 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.285 0.557 -9.352 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.644 1.064 -9.817 1.00 0.00 H new ATOM 606 N TYR A 41 -3.295 -0.539 -8.385 1.00 0.00 N ATOM 607 CA TYR A 41 -1.928 -0.966 -8.670 1.00 0.00 C ATOM 608 C TYR A 41 -1.513 -2.064 -7.702 1.00 0.00 C ATOM 609 O TYR A 41 -0.781 -2.987 -8.059 1.00 0.00 O ATOM 610 CB TYR A 41 -0.966 0.222 -8.568 1.00 0.00 C ATOM 611 CG TYR A 41 0.484 -0.134 -8.820 1.00 0.00 C ATOM 612 CD1 TYR A 41 1.198 -0.923 -7.924 1.00 0.00 C ATOM 613 CD2 TYR A 41 1.141 0.317 -9.959 1.00 0.00 C ATOM 614 CE1 TYR A 41 2.522 -1.250 -8.156 1.00 0.00 C ATOM 615 CE2 TYR A 41 2.462 -0.005 -10.197 1.00 0.00 C ATOM 616 CZ TYR A 41 3.149 -0.787 -9.293 1.00 0.00 C ATOM 617 OH TYR A 41 4.465 -1.110 -9.527 1.00 0.00 O ATOM 0 H TYR A 41 -3.364 0.276 -7.776 1.00 0.00 H new ATOM 0 HA TYR A 41 -1.888 -1.358 -9.686 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -1.271 0.986 -9.284 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -1.054 0.663 -7.575 1.00 0.00 H new ATOM 0 HD1 TYR A 41 0.710 -1.287 -7.032 1.00 0.00 H new ATOM 0 HD2 TYR A 41 0.608 0.930 -10.671 1.00 0.00 H new ATOM 0 HE1 TYR A 41 3.061 -1.865 -7.450 1.00 0.00 H new ATOM 0 HE2 TYR A 41 2.955 0.354 -11.088 1.00 0.00 H new ATOM 0 HH TYR A 41 4.756 -0.706 -10.371 1.00 0.00 H new ATOM 627 N ILE A 42 -2.006 -1.954 -6.480 1.00 0.00 N ATOM 628 CA ILE A 42 -1.717 -2.923 -5.438 1.00 0.00 C ATOM 629 C ILE A 42 -2.646 -4.116 -5.572 1.00 0.00 C ATOM 630 O ILE A 42 -2.275 -5.255 -5.279 1.00 0.00 O ATOM 631 CB ILE A 42 -1.900 -2.294 -4.043 1.00 0.00 C ATOM 632 CG1 ILE A 42 -0.981 -1.082 -3.887 1.00 0.00 C ATOM 633 CG2 ILE A 42 -1.629 -3.317 -2.952 1.00 0.00 C ATOM 634 CD1 ILE A 42 -1.407 -0.145 -2.779 1.00 0.00 C ATOM 0 H ILE A 42 -2.616 -1.192 -6.183 1.00 0.00 H new ATOM 0 HA ILE A 42 -0.682 -3.245 -5.549 1.00 0.00 H new ATOM 0 HB ILE A 42 -2.934 -1.962 -3.945 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.034 -1.428 -3.691 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.954 -0.532 -4.828 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.764 -2.852 -1.975 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -2.323 -4.152 -3.055 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.606 -3.682 -3.042 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -0.712 0.693 -2.723 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.410 0.229 -2.984 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -1.407 -0.680 -1.830 1.00 0.00 H new ATOM 646 N LYS A 43 -3.855 -3.841 -6.043 1.00 0.00 N ATOM 647 CA LYS A 43 -4.844 -4.881 -6.239 1.00 0.00 C ATOM 648 C LYS A 43 -4.555 -5.614 -7.531 1.00 0.00 C ATOM 649 O LYS A 43 -4.812 -6.812 -7.644 1.00 0.00 O ATOM 650 CB LYS A 43 -6.257 -4.296 -6.256 1.00 0.00 C ATOM 651 CG LYS A 43 -7.349 -5.351 -6.320 1.00 0.00 C ATOM 652 CD LYS A 43 -8.734 -4.730 -6.236 1.00 0.00 C ATOM 653 CE LYS A 43 -8.927 -3.958 -4.940 1.00 0.00 C ATOM 654 NZ LYS A 43 -10.295 -3.378 -4.838 1.00 0.00 N ATOM 0 H LYS A 43 -4.170 -2.904 -6.295 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.787 -5.583 -5.407 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.401 -3.689 -5.362 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.356 -3.630 -7.113 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -7.258 -5.914 -7.249 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -7.218 -6.061 -5.503 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -8.885 -4.062 -7.084 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -9.489 -5.513 -6.309 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -8.749 -4.620 -4.093 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -8.188 -3.159 -4.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -10.386 -2.860 -3.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -10.456 -2.726 -5.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -10.999 -4.142 -4.869 1.00 0.00 H new ATOM 668 N LYS A 44 -3.987 -4.900 -8.499 1.00 0.00 N ATOM 669 CA LYS A 44 -3.640 -5.527 -9.764 1.00 0.00 C ATOM 670 C LYS A 44 -2.301 -6.234 -9.621 1.00 0.00 C ATOM 671 O LYS A 44 -2.012 -7.191 -10.339 1.00 0.00 O ATOM 672 CB LYS A 44 -3.581 -4.510 -10.909 1.00 0.00 C ATOM 673 CG LYS A 44 -2.336 -3.634 -10.896 1.00 0.00 C ATOM 674 CD LYS A 44 -2.353 -2.630 -12.039 1.00 0.00 C ATOM 675 CE LYS A 44 -1.032 -1.884 -12.150 1.00 0.00 C ATOM 676 NZ LYS A 44 0.111 -2.809 -12.391 1.00 0.00 N ATOM 0 H LYS A 44 -3.762 -3.907 -8.432 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.419 -6.248 -10.012 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -3.627 -5.044 -11.858 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -4.463 -3.871 -10.860 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -2.271 -3.105 -9.945 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -1.447 -4.261 -10.973 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -2.559 -3.148 -12.976 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.162 -1.916 -11.885 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -1.091 -1.161 -12.963 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -0.856 -1.320 -11.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 0.910 -2.277 -12.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 0.400 -3.245 -11.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -0.178 -3.552 -13.059 1.00 0.00 H new ATOM 690 N GLU A 45 -1.485 -5.760 -8.678 1.00 0.00 N ATOM 691 CA GLU A 45 -0.179 -6.364 -8.444 1.00 0.00 C ATOM 692 C GLU A 45 -0.331 -7.734 -7.797 1.00 0.00 C ATOM 693 O GLU A 45 0.351 -8.687 -8.173 1.00 0.00 O ATOM 694 CB GLU A 45 0.692 -5.468 -7.562 1.00 0.00 C ATOM 695 CG GLU A 45 2.081 -6.034 -7.318 1.00 0.00 C ATOM 696 CD GLU A 45 2.918 -5.168 -6.400 1.00 0.00 C ATOM 697 OE1 GLU A 45 3.116 -3.978 -6.723 1.00 0.00 O ATOM 698 OE2 GLU A 45 3.378 -5.680 -5.359 1.00 0.00 O ATOM 0 H GLU A 45 -1.704 -4.969 -8.072 1.00 0.00 H new ATOM 0 HA GLU A 45 0.311 -6.479 -9.411 1.00 0.00 H new ATOM 0 HB2 GLU A 45 0.783 -4.488 -8.030 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.194 -5.319 -6.604 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.991 -7.031 -6.886 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.595 -6.145 -8.273 1.00 0.00 H new ATOM 705 N PHE A 46 -1.229 -7.828 -6.822 1.00 0.00 N ATOM 706 CA PHE A 46 -1.462 -9.090 -6.128 1.00 0.00 C ATOM 707 C PHE A 46 -2.420 -9.986 -6.913 1.00 0.00 C ATOM 708 O PHE A 46 -2.202 -11.192 -7.028 1.00 0.00 O ATOM 709 CB PHE A 46 -2.002 -8.837 -4.719 1.00 0.00 C ATOM 710 CG PHE A 46 -1.010 -8.171 -3.806 1.00 0.00 C ATOM 711 CD1 PHE A 46 0.214 -8.766 -3.545 1.00 0.00 C ATOM 712 CD2 PHE A 46 -1.302 -6.956 -3.206 1.00 0.00 C ATOM 713 CE1 PHE A 46 1.130 -8.163 -2.702 1.00 0.00 C ATOM 714 CE2 PHE A 46 -0.391 -6.348 -2.362 1.00 0.00 C ATOM 715 CZ PHE A 46 0.827 -6.952 -2.109 1.00 0.00 C ATOM 0 H PHE A 46 -1.804 -7.051 -6.496 1.00 0.00 H new ATOM 0 HA PHE A 46 -0.506 -9.608 -6.048 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -2.895 -8.216 -4.787 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -2.307 -9.787 -4.280 1.00 0.00 H new ATOM 0 HD1 PHE A 46 0.456 -9.712 -4.006 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -2.251 -6.479 -3.400 1.00 0.00 H new ATOM 0 HE1 PHE A 46 2.080 -8.638 -2.508 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.631 -5.401 -1.900 1.00 0.00 H new ATOM 0 HZ PHE A 46 1.540 -6.479 -1.450 1.00 0.00 H new ATOM 725 N ASP A 47 -3.476 -9.389 -7.451 1.00 0.00 N ATOM 726 CA ASP A 47 -4.467 -10.126 -8.228 1.00 0.00 C ATOM 727 C ASP A 47 -3.835 -10.787 -9.450 1.00 0.00 C ATOM 728 O ASP A 47 -4.192 -11.906 -9.817 1.00 0.00 O ATOM 729 CB ASP A 47 -5.587 -9.178 -8.671 1.00 0.00 C ATOM 730 CG ASP A 47 -6.617 -9.855 -9.555 1.00 0.00 C ATOM 731 OD1 ASP A 47 -7.255 -10.819 -9.089 1.00 0.00 O ATOM 732 OD2 ASP A 47 -6.781 -9.419 -10.713 1.00 0.00 O ATOM 0 H ASP A 47 -3.670 -8.391 -7.363 1.00 0.00 H new ATOM 0 HA ASP A 47 -4.879 -10.911 -7.594 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -6.083 -8.772 -7.789 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -5.152 -8.335 -9.208 1.00 0.00 H new ATOM 737 N LYS A 48 -2.909 -10.080 -10.084 1.00 0.00 N ATOM 738 CA LYS A 48 -2.242 -10.587 -11.279 1.00 0.00 C ATOM 739 C LYS A 48 -0.971 -11.369 -10.943 1.00 0.00 C ATOM 740 O LYS A 48 -0.306 -11.885 -11.841 1.00 0.00 O ATOM 741 CB LYS A 48 -1.906 -9.426 -12.220 1.00 0.00 C ATOM 742 CG LYS A 48 -1.267 -9.859 -13.530 1.00 0.00 C ATOM 743 CD LYS A 48 -1.000 -8.671 -14.442 1.00 0.00 C ATOM 744 CE LYS A 48 -2.285 -7.946 -14.807 1.00 0.00 C ATOM 745 NZ LYS A 48 -2.035 -6.802 -15.728 1.00 0.00 N ATOM 0 H LYS A 48 -2.601 -9.153 -9.791 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.929 -11.275 -11.770 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -2.819 -8.872 -12.438 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.232 -8.740 -11.708 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -0.331 -10.379 -13.325 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -1.921 -10.568 -14.037 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -0.318 -7.978 -13.948 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -0.504 -9.013 -15.350 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -2.976 -8.646 -15.277 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -2.767 -7.583 -13.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -2.936 -6.334 -15.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -1.396 -6.121 -15.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -1.598 -7.151 -16.605 1.00 0.00 H new ATOM 759 N LYS A 49 -0.625 -11.460 -9.661 1.00 0.00 N ATOM 760 CA LYS A 49 0.579 -12.183 -9.266 1.00 0.00 C ATOM 761 C LYS A 49 0.461 -12.757 -7.855 1.00 0.00 C ATOM 762 O LYS A 49 1.309 -12.502 -7.001 1.00 0.00 O ATOM 763 CB LYS A 49 1.797 -11.259 -9.358 1.00 0.00 C ATOM 764 CG LYS A 49 3.124 -11.963 -9.117 1.00 0.00 C ATOM 765 CD LYS A 49 3.346 -13.088 -10.114 1.00 0.00 C ATOM 766 CE LYS A 49 4.671 -13.794 -9.870 1.00 0.00 C ATOM 767 NZ LYS A 49 4.740 -14.392 -8.509 1.00 0.00 N ATOM 0 H LYS A 49 -1.152 -11.049 -8.890 1.00 0.00 H new ATOM 0 HA LYS A 49 0.703 -13.021 -9.952 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.816 -10.796 -10.345 1.00 0.00 H new ATOM 0 HB3 LYS A 49 1.686 -10.455 -8.631 1.00 0.00 H new ATOM 0 HG2 LYS A 49 3.938 -11.242 -9.192 1.00 0.00 H new ATOM 0 HG3 LYS A 49 3.146 -12.364 -8.104 1.00 0.00 H new ATOM 0 HD2 LYS A 49 2.530 -13.807 -10.041 1.00 0.00 H new ATOM 0 HD3 LYS A 49 3.327 -12.687 -11.127 1.00 0.00 H new ATOM 0 HE2 LYS A 49 4.809 -14.576 -10.617 1.00 0.00 H new ATOM 0 HE3 LYS A 49 5.489 -13.085 -9.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 5.550 -15.043 -8.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.856 -13.637 -7.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 3.862 -14.915 -8.315 1.00 0.00 H new ATOM 781 N TYR A 50 -0.581 -13.553 -7.622 1.00 0.00 N ATOM 782 CA TYR A 50 -0.790 -14.180 -6.320 1.00 0.00 C ATOM 783 C TYR A 50 -2.111 -14.932 -6.299 1.00 0.00 C ATOM 784 O TYR A 50 -2.163 -16.081 -5.873 1.00 0.00 O ATOM 785 CB TYR A 50 -0.775 -13.143 -5.192 1.00 0.00 C ATOM 786 CG TYR A 50 -0.606 -13.754 -3.816 1.00 0.00 C ATOM 787 CD1 TYR A 50 -1.513 -14.689 -3.325 1.00 0.00 C ATOM 788 CD2 TYR A 50 0.466 -13.397 -3.008 1.00 0.00 C ATOM 789 CE1 TYR A 50 -1.353 -15.246 -2.071 1.00 0.00 C ATOM 790 CE2 TYR A 50 0.631 -13.950 -1.753 1.00 0.00 C ATOM 791 CZ TYR A 50 -0.281 -14.874 -1.289 1.00 0.00 C ATOM 792 OH TYR A 50 -0.120 -15.428 -0.039 1.00 0.00 O ATOM 0 H TYR A 50 -1.292 -13.778 -8.317 1.00 0.00 H new ATOM 0 HA TYR A 50 0.030 -14.880 -6.158 1.00 0.00 H new ATOM 0 HB2 TYR A 50 0.035 -12.436 -5.369 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -1.705 -12.575 -5.218 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -2.355 -14.984 -3.934 1.00 0.00 H new ATOM 0 HD2 TYR A 50 1.183 -12.674 -3.367 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -2.065 -15.970 -1.705 1.00 0.00 H new ATOM 0 HE2 TYR A 50 1.470 -13.660 -1.138 1.00 0.00 H new ATOM 0 HH TYR A 50 0.685 -15.060 0.381 1.00 0.00 H new ATOM 802 N ASN A 51 -3.166 -14.253 -6.758 1.00 0.00 N ATOM 803 CA ASN A 51 -4.525 -14.801 -6.815 1.00 0.00 C ATOM 804 C ASN A 51 -5.530 -13.684 -6.592 1.00 0.00 C ATOM 805 O ASN A 51 -5.220 -12.677 -5.956 1.00 0.00 O ATOM 806 CB ASN A 51 -4.756 -15.928 -5.799 1.00 0.00 C ATOM 807 CG ASN A 51 -4.335 -17.303 -6.312 1.00 0.00 C ATOM 808 OD1 ASN A 51 -3.618 -17.345 -7.437 1.00 0.00 O flip ATOM 809 ND2 ASN A 51 -4.634 -18.321 -5.687 1.00 0.00 N flip ATOM 0 H ASN A 51 -3.100 -13.296 -7.105 1.00 0.00 H new ATOM 0 HA ASN A 51 -4.659 -15.238 -7.804 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -4.203 -15.704 -4.887 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -5.813 -15.956 -5.532 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -5.183 -18.251 -4.831 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -4.332 -19.235 -6.026 1.00 0.00 H new ATOM 816 N PRO A 52 -6.741 -13.826 -7.143 1.00 0.00 N ATOM 817 CA PRO A 52 -7.770 -12.803 -7.026 1.00 0.00 C ATOM 818 C PRO A 52 -8.530 -12.838 -5.711 1.00 0.00 C ATOM 819 O PRO A 52 -8.680 -13.889 -5.091 1.00 0.00 O ATOM 820 CB PRO A 52 -8.698 -13.126 -8.196 1.00 0.00 C ATOM 821 CG PRO A 52 -8.594 -14.604 -8.357 1.00 0.00 C ATOM 822 CD PRO A 52 -7.189 -14.976 -7.954 1.00 0.00 C ATOM 0 HA PRO A 52 -7.342 -11.801 -7.047 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -9.723 -12.821 -7.986 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -8.390 -12.605 -9.103 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -9.326 -15.116 -7.732 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -8.794 -14.898 -9.387 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -7.169 -15.903 -7.380 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -6.549 -15.126 -8.824 1.00 0.00 H new ATOM 830 N THR A 53 -9.012 -11.662 -5.294 1.00 0.00 N ATOM 831 CA THR A 53 -8.811 -10.424 -6.064 1.00 0.00 C ATOM 832 C THR A 53 -8.326 -9.297 -5.175 1.00 0.00 C ATOM 833 O THR A 53 -8.190 -8.152 -5.607 1.00 0.00 O ATOM 834 CB THR A 53 -10.094 -9.998 -6.747 1.00 0.00 C ATOM 835 OG1 THR A 53 -10.794 -11.117 -7.262 1.00 0.00 O ATOM 836 CG2 THR A 53 -9.837 -9.052 -7.895 1.00 0.00 C ATOM 0 H THR A 53 -9.542 -11.539 -4.431 1.00 0.00 H new ATOM 0 HA THR A 53 -8.052 -10.634 -6.818 1.00 0.00 H new ATOM 0 HB THR A 53 -10.687 -9.494 -5.984 1.00 0.00 H new ATOM 0 HG1 THR A 53 -11.619 -10.815 -7.696 1.00 0.00 H new ATOM 0 HG21 THR A 53 -10.785 -8.773 -8.355 1.00 0.00 H new ATOM 0 HG22 THR A 53 -9.336 -8.158 -7.524 1.00 0.00 H new ATOM 0 HG23 THR A 53 -9.204 -9.542 -8.635 1.00 0.00 H new ATOM 844 N TRP A 54 -8.062 -9.650 -3.940 1.00 0.00 N ATOM 845 CA TRP A 54 -7.584 -8.712 -2.932 1.00 0.00 C ATOM 846 C TRP A 54 -8.489 -7.488 -2.820 1.00 0.00 C ATOM 847 O TRP A 54 -9.138 -7.086 -3.784 1.00 0.00 O ATOM 848 CB TRP A 54 -6.153 -8.290 -3.246 1.00 0.00 C ATOM 849 CG TRP A 54 -5.220 -9.454 -3.328 1.00 0.00 C ATOM 850 CD1 TRP A 54 -4.953 -10.223 -4.422 1.00 0.00 C ATOM 851 CD2 TRP A 54 -4.469 -10.011 -2.249 1.00 0.00 C ATOM 852 NE1 TRP A 54 -4.053 -11.210 -4.094 1.00 0.00 N ATOM 853 CE2 TRP A 54 -3.744 -11.100 -2.762 1.00 0.00 C ATOM 854 CE3 TRP A 54 -4.333 -9.683 -0.903 1.00 0.00 C ATOM 855 CZ2 TRP A 54 -2.893 -11.865 -1.969 1.00 0.00 C ATOM 856 CZ3 TRP A 54 -3.491 -10.444 -0.113 1.00 0.00 C ATOM 857 CH2 TRP A 54 -2.779 -11.523 -0.649 1.00 0.00 C ATOM 0 H TRP A 54 -8.171 -10.604 -3.595 1.00 0.00 H new ATOM 0 HA TRP A 54 -7.605 -9.221 -1.968 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -6.136 -7.747 -4.191 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -5.803 -7.601 -2.477 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -5.385 -10.078 -5.401 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -3.677 -11.909 -4.735 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -4.876 -8.849 -0.483 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -2.343 -12.698 -2.381 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -3.381 -10.202 0.934 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -2.127 -12.097 -0.008 1.00 0.00 H new ATOM 868 N HIS A 55 -8.535 -6.905 -1.628 1.00 0.00 N ATOM 869 CA HIS A 55 -9.369 -5.733 -1.389 1.00 0.00 C ATOM 870 C HIS A 55 -8.587 -4.618 -0.700 1.00 0.00 C ATOM 871 O HIS A 55 -9.024 -4.072 0.313 1.00 0.00 O ATOM 872 CB HIS A 55 -10.582 -6.117 -0.542 1.00 0.00 C ATOM 873 CG HIS A 55 -11.465 -7.139 -1.188 1.00 0.00 C ATOM 874 ND1 HIS A 55 -11.029 -8.401 -1.536 1.00 0.00 N ATOM 875 CD2 HIS A 55 -12.770 -7.082 -1.550 1.00 0.00 C ATOM 876 CE1 HIS A 55 -12.024 -9.074 -2.084 1.00 0.00 C ATOM 877 NE2 HIS A 55 -13.091 -8.297 -2.102 1.00 0.00 N ATOM 0 H HIS A 55 -8.007 -7.223 -0.815 1.00 0.00 H new ATOM 0 HA HIS A 55 -9.703 -5.360 -2.357 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -10.237 -6.502 0.418 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -11.168 -5.222 -0.335 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -13.433 -6.238 -1.427 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -11.974 -10.087 -2.454 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -14.007 -8.558 -2.467 1.00 0.00 H new ATOM 886 N CYS A 56 -7.427 -4.280 -1.256 1.00 0.00 N ATOM 887 CA CYS A 56 -6.589 -3.226 -0.693 1.00 0.00 C ATOM 888 C CYS A 56 -7.210 -1.850 -0.909 1.00 0.00 C ATOM 889 O CYS A 56 -7.204 -1.319 -2.019 1.00 0.00 O ATOM 890 CB CYS A 56 -5.189 -3.275 -1.307 1.00 0.00 C ATOM 891 SG CYS A 56 -5.167 -3.097 -3.106 1.00 0.00 S ATOM 0 H CYS A 56 -7.047 -4.720 -2.094 1.00 0.00 H new ATOM 0 HA CYS A 56 -6.513 -3.397 0.381 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -4.583 -2.483 -0.867 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -4.720 -4.222 -1.040 1.00 0.00 H new ATOM 0 HG CYS A 56 -6.062 -2.226 -3.467 1.00 0.00 H new ATOM 897 N ILE A 57 -7.741 -1.279 0.168 1.00 0.00 N ATOM 898 CA ILE A 57 -8.364 0.035 0.114 1.00 0.00 C ATOM 899 C ILE A 57 -7.461 1.078 0.755 1.00 0.00 C ATOM 900 O ILE A 57 -6.544 0.740 1.500 1.00 0.00 O ATOM 901 CB ILE A 57 -9.720 0.039 0.841 1.00 0.00 C ATOM 902 CG1 ILE A 57 -10.606 -1.087 0.304 1.00 0.00 C ATOM 903 CG2 ILE A 57 -10.406 1.391 0.682 1.00 0.00 C ATOM 904 CD1 ILE A 57 -12.014 -1.065 0.858 1.00 0.00 C ATOM 0 H ILE A 57 -7.751 -1.710 1.092 1.00 0.00 H new ATOM 0 HA ILE A 57 -8.522 0.277 -0.937 1.00 0.00 H new ATOM 0 HB ILE A 57 -9.551 -0.131 1.904 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -10.651 -1.016 -0.783 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -10.145 -2.046 0.542 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -11.364 1.376 1.202 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -9.774 2.172 1.106 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -10.571 1.593 -0.376 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -12.585 -1.891 0.434 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -11.980 -1.167 1.943 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -12.493 -0.121 0.597 1.00 0.00 H new ATOM 916 N VAL A 58 -7.716 2.344 0.454 1.00 0.00 N ATOM 917 CA VAL A 58 -6.914 3.425 0.999 1.00 0.00 C ATOM 918 C VAL A 58 -7.784 4.488 1.675 1.00 0.00 C ATOM 919 O VAL A 58 -8.897 4.766 1.227 1.00 0.00 O ATOM 920 CB VAL A 58 -6.080 4.085 -0.111 1.00 0.00 C ATOM 921 CG1 VAL A 58 -6.972 4.845 -1.084 1.00 0.00 C ATOM 922 CG2 VAL A 58 -5.014 4.994 0.480 1.00 0.00 C ATOM 0 H VAL A 58 -8.470 2.645 -0.163 1.00 0.00 H new ATOM 0 HA VAL A 58 -6.253 2.991 1.749 1.00 0.00 H new ATOM 0 HB VAL A 58 -5.575 3.296 -0.669 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -6.358 5.303 -1.859 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -7.681 4.155 -1.542 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -7.517 5.622 -0.547 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -4.437 5.449 -0.325 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -5.490 5.775 1.072 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -4.350 4.410 1.117 1.00 0.00 H new ATOM 932 N GLY A 59 -7.268 5.083 2.747 1.00 0.00 N ATOM 933 CA GLY A 59 -8.008 6.112 3.459 1.00 0.00 C ATOM 934 C GLY A 59 -7.092 7.055 4.211 1.00 0.00 C ATOM 935 O GLY A 59 -6.160 7.615 3.635 1.00 0.00 O ATOM 0 H GLY A 59 -6.349 4.871 3.136 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -8.610 6.681 2.751 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.698 5.642 4.160 1.00 0.00 H new ATOM 939 N ARG A 60 -7.348 7.225 5.502 1.00 0.00 N ATOM 940 CA ARG A 60 -6.529 8.099 6.330 1.00 0.00 C ATOM 941 C ARG A 60 -6.483 7.594 7.766 1.00 0.00 C ATOM 942 O ARG A 60 -5.508 6.972 8.189 1.00 0.00 O ATOM 943 CB ARG A 60 -7.068 9.532 6.289 1.00 0.00 C ATOM 944 CG ARG A 60 -7.078 10.140 4.897 1.00 0.00 C ATOM 945 CD ARG A 60 -7.656 11.546 4.910 1.00 0.00 C ATOM 946 NE ARG A 60 -7.688 12.142 3.577 1.00 0.00 N ATOM 947 CZ ARG A 60 -8.160 13.360 3.320 1.00 0.00 C ATOM 948 NH1 ARG A 60 -8.643 14.112 4.301 1.00 0.00 N ATOM 949 NH2 ARG A 60 -8.151 13.826 2.078 1.00 0.00 N ATOM 0 H ARG A 60 -8.115 6.770 5.997 1.00 0.00 H new ATOM 0 HA ARG A 60 -5.515 8.095 5.931 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -8.083 9.541 6.687 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -6.463 10.158 6.945 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -6.062 10.166 4.502 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -7.664 9.510 4.227 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -8.666 11.518 5.318 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -7.062 12.175 5.573 1.00 0.00 H new ATOM 0 HE ARG A 60 -7.327 11.593 2.797 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -8.654 13.757 5.257 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -9.003 15.045 4.099 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -7.783 13.251 1.320 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -8.513 14.759 1.881 1.00 0.00 H new ATOM 963 N SER A 61 -7.548 7.860 8.506 1.00 0.00 N ATOM 964 CA SER A 61 -7.647 7.432 9.894 1.00 0.00 C ATOM 965 C SER A 61 -9.105 7.251 10.293 1.00 0.00 C ATOM 966 O SER A 61 -9.511 7.612 11.397 1.00 0.00 O ATOM 967 CB SER A 61 -6.971 8.450 10.818 1.00 0.00 C ATOM 968 OG SER A 61 -7.580 9.724 10.704 1.00 0.00 O ATOM 0 H SER A 61 -8.361 8.374 8.166 1.00 0.00 H new ATOM 0 HA SER A 61 -7.136 6.475 9.995 1.00 0.00 H new ATOM 0 HB2 SER A 61 -7.032 8.105 11.850 1.00 0.00 H new ATOM 0 HB3 SER A 61 -5.913 8.526 10.569 1.00 0.00 H new ATOM 0 HG SER A 61 -7.132 10.356 11.305 1.00 0.00 H new ATOM 974 N GLY A 62 -9.887 6.691 9.377 1.00 0.00 N ATOM 975 CA GLY A 62 -11.296 6.469 9.639 1.00 0.00 C ATOM 976 C GLY A 62 -11.558 5.217 10.457 1.00 0.00 C ATOM 977 O GLY A 62 -12.711 4.844 10.672 1.00 0.00 O ATOM 0 H GLY A 62 -9.570 6.387 8.457 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -11.702 7.332 10.166 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -11.829 6.395 8.691 1.00 0.00 H new ATOM 981 N ASN A 63 -10.494 4.560 10.909 1.00 0.00 N ATOM 982 CA ASN A 63 -10.631 3.344 11.697 1.00 0.00 C ATOM 983 C ASN A 63 -11.300 2.256 10.867 1.00 0.00 C ATOM 984 O ASN A 63 -12.426 1.848 11.148 1.00 0.00 O ATOM 985 CB ASN A 63 -11.446 3.619 12.967 1.00 0.00 C ATOM 986 CG ASN A 63 -11.548 2.417 13.902 1.00 0.00 C ATOM 987 OD1 ASN A 63 -10.795 1.353 13.627 1.00 0.00 O flip ATOM 988 ND2 ASN A 63 -12.289 2.456 14.884 1.00 0.00 N flip ATOM 0 H ASN A 63 -9.530 4.850 10.743 1.00 0.00 H new ATOM 0 HA ASN A 63 -9.638 3.003 11.990 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -10.992 4.450 13.506 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -12.450 3.933 12.683 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -12.852 3.287 15.065 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -12.340 1.658 15.517 1.00 0.00 H new ATOM 995 N PHE A 64 -10.596 1.798 9.838 1.00 0.00 N ATOM 996 CA PHE A 64 -11.108 0.760 8.953 1.00 0.00 C ATOM 997 C PHE A 64 -10.123 -0.396 8.833 1.00 0.00 C ATOM 998 O PHE A 64 -9.400 -0.517 7.846 1.00 0.00 O ATOM 999 CB PHE A 64 -11.438 1.349 7.574 1.00 0.00 C ATOM 1000 CG PHE A 64 -10.413 2.322 7.050 1.00 0.00 C ATOM 1001 CD1 PHE A 64 -9.206 1.882 6.521 1.00 0.00 C ATOM 1002 CD2 PHE A 64 -10.658 3.685 7.096 1.00 0.00 C ATOM 1003 CE1 PHE A 64 -8.272 2.782 6.049 1.00 0.00 C ATOM 1004 CE2 PHE A 64 -9.726 4.589 6.624 1.00 0.00 C ATOM 1005 CZ PHE A 64 -8.533 4.135 6.100 1.00 0.00 C ATOM 0 H PHE A 64 -9.663 2.132 9.596 1.00 0.00 H new ATOM 0 HA PHE A 64 -12.027 0.364 9.386 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -11.544 0.532 6.860 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -12.403 1.852 7.629 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -8.996 0.823 6.479 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -11.590 4.045 7.506 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -7.338 2.427 5.640 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -9.931 5.649 6.665 1.00 0.00 H new ATOM 0 HZ PHE A 64 -7.803 4.840 5.730 1.00 0.00 H new ATOM 1015 N GLY A 65 -10.104 -1.247 9.850 1.00 0.00 N ATOM 1016 CA GLY A 65 -9.203 -2.388 9.842 1.00 0.00 C ATOM 1017 C GLY A 65 -9.444 -3.364 10.984 1.00 0.00 C ATOM 1018 O GLY A 65 -9.083 -4.535 10.883 1.00 0.00 O ATOM 0 H GLY A 65 -10.693 -1.170 10.679 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -9.309 -2.917 8.895 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -8.175 -2.029 9.893 1.00 0.00 H new ATOM 1022 N SER A 66 -10.040 -2.890 12.077 1.00 0.00 N ATOM 1023 CA SER A 66 -10.300 -3.748 13.231 1.00 0.00 C ATOM 1024 C SER A 66 -11.669 -4.418 13.149 1.00 0.00 C ATOM 1025 O SER A 66 -12.265 -4.754 14.172 1.00 0.00 O ATOM 1026 CB SER A 66 -10.190 -2.942 14.526 1.00 0.00 C ATOM 1027 OG SER A 66 -8.895 -2.388 14.675 1.00 0.00 O ATOM 0 H SER A 66 -10.350 -1.924 12.187 1.00 0.00 H new ATOM 0 HA SER A 66 -9.546 -4.535 13.227 1.00 0.00 H new ATOM 0 HB2 SER A 66 -10.932 -2.144 14.525 1.00 0.00 H new ATOM 0 HB3 SER A 66 -10.414 -3.584 15.378 1.00 0.00 H new ATOM 0 HG SER A 66 -8.852 -1.876 15.510 1.00 0.00 H new ATOM 1033 N TYR A 67 -12.158 -4.622 11.933 1.00 0.00 N ATOM 1034 CA TYR A 67 -13.455 -5.269 11.732 1.00 0.00 C ATOM 1035 C TYR A 67 -13.642 -5.728 10.286 1.00 0.00 C ATOM 1036 O TYR A 67 -14.314 -6.726 10.028 1.00 0.00 O ATOM 1037 CB TYR A 67 -14.595 -4.331 12.134 1.00 0.00 C ATOM 1038 CG TYR A 67 -14.580 -3.007 11.409 1.00 0.00 C ATOM 1039 CD1 TYR A 67 -13.528 -2.120 11.573 1.00 0.00 C ATOM 1040 CD2 TYR A 67 -15.619 -2.646 10.559 1.00 0.00 C ATOM 1041 CE1 TYR A 67 -13.507 -0.909 10.914 1.00 0.00 C ATOM 1042 CE2 TYR A 67 -15.605 -1.434 9.894 1.00 0.00 C ATOM 1043 CZ TYR A 67 -14.547 -0.569 10.076 1.00 0.00 C ATOM 1044 OH TYR A 67 -14.528 0.639 9.416 1.00 0.00 O ATOM 0 H TYR A 67 -11.682 -4.352 11.073 1.00 0.00 H new ATOM 0 HA TYR A 67 -13.477 -6.152 12.371 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -15.546 -4.828 11.943 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -14.541 -4.148 13.207 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -12.710 -2.382 12.228 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -16.449 -3.322 10.416 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -12.679 -0.230 11.054 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -16.418 -1.166 9.236 1.00 0.00 H new ATOM 0 HH TYR A 67 -13.926 1.256 9.881 1.00 0.00 H new ATOM 1054 N VAL A 68 -13.047 -5.001 9.346 1.00 0.00 N ATOM 1055 CA VAL A 68 -13.156 -5.345 7.932 1.00 0.00 C ATOM 1056 C VAL A 68 -12.650 -6.764 7.655 1.00 0.00 C ATOM 1057 O VAL A 68 -12.933 -7.334 6.602 1.00 0.00 O ATOM 1058 CB VAL A 68 -12.374 -4.349 7.052 1.00 0.00 C ATOM 1059 CG1 VAL A 68 -12.585 -4.657 5.577 1.00 0.00 C ATOM 1060 CG2 VAL A 68 -12.784 -2.919 7.369 1.00 0.00 C ATOM 0 H VAL A 68 -12.485 -4.171 9.537 1.00 0.00 H new ATOM 0 HA VAL A 68 -14.215 -5.293 7.680 1.00 0.00 H new ATOM 0 HB VAL A 68 -11.312 -4.456 7.273 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -12.025 -3.943 4.973 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -12.236 -5.667 5.363 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -13.646 -4.582 5.338 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -12.221 -2.231 6.738 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -13.850 -2.796 7.180 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -12.574 -2.704 8.417 1.00 0.00 H new ATOM 1070 N THR A 69 -11.906 -7.329 8.605 1.00 0.00 N ATOM 1071 CA THR A 69 -11.370 -8.679 8.465 1.00 0.00 C ATOM 1072 C THR A 69 -12.448 -9.649 8.027 1.00 0.00 C ATOM 1073 O THR A 69 -12.299 -10.354 7.030 1.00 0.00 O ATOM 1074 CB THR A 69 -10.759 -9.140 9.791 1.00 0.00 C ATOM 1075 OG1 THR A 69 -9.773 -8.224 10.232 1.00 0.00 O ATOM 1076 CG2 THR A 69 -10.109 -10.505 9.710 1.00 0.00 C ATOM 0 H THR A 69 -11.661 -6.870 9.482 1.00 0.00 H new ATOM 0 HA THR A 69 -10.595 -8.660 7.698 1.00 0.00 H new ATOM 0 HB THR A 69 -11.594 -9.193 10.490 1.00 0.00 H new ATOM 0 HG1 THR A 69 -8.927 -8.408 9.773 1.00 0.00 H new ATOM 0 HG21 THR A 69 -9.697 -10.770 10.684 1.00 0.00 H new ATOM 0 HG22 THR A 69 -10.853 -11.246 9.417 1.00 0.00 H new ATOM 0 HG23 THR A 69 -9.308 -10.483 8.971 1.00 0.00 H new ATOM 1084 N HIS A 70 -13.530 -9.690 8.784 1.00 0.00 N ATOM 1085 CA HIS A 70 -14.634 -10.589 8.480 1.00 0.00 C ATOM 1086 C HIS A 70 -14.153 -12.039 8.388 1.00 0.00 C ATOM 1087 O HIS A 70 -14.894 -12.909 7.934 1.00 0.00 O ATOM 1088 CB HIS A 70 -15.309 -10.179 7.169 1.00 0.00 C ATOM 1089 CG HIS A 70 -15.894 -8.801 7.201 1.00 0.00 C ATOM 1090 ND1 HIS A 70 -15.641 -7.713 6.436 1.00 0.00 N flip ATOM 1091 CD2 HIS A 70 -16.866 -8.418 8.101 1.00 0.00 C flip ATOM 1092 CE1 HIS A 70 -16.457 -6.703 6.884 1.00 0.00 C flip ATOM 1093 NE2 HIS A 70 -17.186 -7.153 7.887 1.00 0.00 N flip ATOM 0 H HIS A 70 -13.670 -9.113 9.613 1.00 0.00 H new ATOM 0 HA HIS A 70 -15.358 -10.518 9.292 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -14.579 -10.236 6.361 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -16.098 -10.894 6.937 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -14.970 -7.654 5.670 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -17.298 -9.052 8.861 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -16.496 -5.702 6.480 1.00 0.00 H new ATOM 1102 N GLU A 71 -12.903 -12.281 8.815 1.00 0.00 N ATOM 1103 CA GLU A 71 -12.294 -13.617 8.788 1.00 0.00 C ATOM 1104 C GLU A 71 -11.537 -13.842 7.485 1.00 0.00 C ATOM 1105 O GLU A 71 -11.487 -14.956 6.965 1.00 0.00 O ATOM 1106 CB GLU A 71 -13.336 -14.729 8.984 1.00 0.00 C ATOM 1107 CG GLU A 71 -14.171 -14.571 10.247 1.00 0.00 C ATOM 1108 CD GLU A 71 -13.339 -14.634 11.515 1.00 0.00 C ATOM 1109 OE1 GLU A 71 -12.110 -14.823 11.412 1.00 0.00 O ATOM 1110 OE2 GLU A 71 -13.922 -14.498 12.612 1.00 0.00 O ATOM 0 H GLU A 71 -12.289 -11.557 9.187 1.00 0.00 H new ATOM 0 HA GLU A 71 -11.593 -13.662 9.622 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -14.000 -14.748 8.120 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -12.825 -15.692 9.015 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -14.699 -13.618 10.211 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -14.929 -15.354 10.276 1.00 0.00 H new ATOM 1117 N THR A 72 -10.943 -12.771 6.968 1.00 0.00 N ATOM 1118 CA THR A 72 -10.177 -12.830 5.728 1.00 0.00 C ATOM 1119 C THR A 72 -9.177 -13.989 5.749 1.00 0.00 C ATOM 1120 O THR A 72 -8.812 -14.519 4.699 1.00 0.00 O ATOM 1121 CB THR A 72 -9.442 -11.506 5.515 1.00 0.00 C ATOM 1122 OG1 THR A 72 -10.352 -10.421 5.530 1.00 0.00 O ATOM 1123 CG2 THR A 72 -8.684 -11.440 4.211 1.00 0.00 C ATOM 0 H THR A 72 -10.978 -11.844 7.393 1.00 0.00 H new ATOM 0 HA THR A 72 -10.870 -13.000 4.904 1.00 0.00 H new ATOM 0 HB THR A 72 -8.728 -11.442 6.336 1.00 0.00 H new ATOM 0 HG1 THR A 72 -11.242 -10.744 5.782 1.00 0.00 H new ATOM 0 HG21 THR A 72 -8.187 -10.473 4.127 1.00 0.00 H new ATOM 0 HG22 THR A 72 -7.938 -12.235 4.183 1.00 0.00 H new ATOM 0 HG23 THR A 72 -9.378 -11.564 3.380 1.00 0.00 H new ATOM 1131 N LYS A 73 -8.746 -14.377 6.953 1.00 0.00 N ATOM 1132 CA LYS A 73 -7.796 -15.477 7.140 1.00 0.00 C ATOM 1133 C LYS A 73 -6.349 -15.036 6.902 1.00 0.00 C ATOM 1134 O LYS A 73 -5.414 -15.770 7.223 1.00 0.00 O ATOM 1135 CB LYS A 73 -8.136 -16.658 6.226 1.00 0.00 C ATOM 1136 CG LYS A 73 -7.314 -17.898 6.519 1.00 0.00 C ATOM 1137 CD LYS A 73 -7.507 -18.362 7.953 1.00 0.00 C ATOM 1138 CE LYS A 73 -6.686 -19.605 8.253 1.00 0.00 C ATOM 1139 NZ LYS A 73 -7.059 -20.745 7.370 1.00 0.00 N ATOM 0 H LYS A 73 -9.045 -13.938 7.824 1.00 0.00 H new ATOM 0 HA LYS A 73 -7.884 -15.793 8.179 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.194 -16.898 6.332 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -7.979 -16.363 5.189 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -7.600 -18.697 5.834 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -6.259 -17.688 6.341 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -7.221 -17.563 8.636 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -8.562 -18.570 8.130 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -5.627 -19.380 8.127 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -6.829 -19.891 9.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -6.659 -21.626 7.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -8.095 -20.826 7.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -6.684 -20.581 6.414 1.00 0.00 H new ATOM 1153 N HIS A 74 -6.168 -13.842 6.345 1.00 0.00 N ATOM 1154 CA HIS A 74 -4.836 -13.307 6.068 1.00 0.00 C ATOM 1155 C HIS A 74 -4.950 -11.986 5.318 1.00 0.00 C ATOM 1156 O HIS A 74 -5.789 -11.848 4.429 1.00 0.00 O ATOM 1157 CB HIS A 74 -4.005 -14.311 5.262 1.00 0.00 C ATOM 1158 CG HIS A 74 -4.675 -14.786 4.011 1.00 0.00 C ATOM 1159 ND1 HIS A 74 -5.021 -13.946 2.972 1.00 0.00 N ATOM 1160 CD2 HIS A 74 -5.057 -16.028 3.630 1.00 0.00 C ATOM 1161 CE1 HIS A 74 -5.586 -14.652 2.009 1.00 0.00 C ATOM 1162 NE2 HIS A 74 -5.618 -15.917 2.383 1.00 0.00 N ATOM 0 H HIS A 74 -6.932 -13.222 6.075 1.00 0.00 H new ATOM 0 HA HIS A 74 -4.328 -13.131 7.016 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -3.052 -13.852 5.000 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -3.782 -15.172 5.892 1.00 0.00 H new ATOM 0 HD1 HIS A 74 -4.865 -12.938 2.951 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -4.941 -16.937 4.202 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -5.959 -14.260 1.074 1.00 0.00 H new ATOM 1171 N PHE A 75 -4.118 -11.008 5.685 1.00 0.00 N ATOM 1172 CA PHE A 75 -4.164 -9.695 5.043 1.00 0.00 C ATOM 1173 C PHE A 75 -3.154 -8.737 5.680 1.00 0.00 C ATOM 1174 O PHE A 75 -2.212 -9.167 6.342 1.00 0.00 O ATOM 1175 CB PHE A 75 -5.574 -9.113 5.159 1.00 0.00 C ATOM 1176 CG PHE A 75 -5.983 -8.774 6.565 1.00 0.00 C ATOM 1177 CD1 PHE A 75 -6.084 -9.761 7.533 1.00 0.00 C ATOM 1178 CD2 PHE A 75 -6.269 -7.464 6.917 1.00 0.00 C ATOM 1179 CE1 PHE A 75 -6.464 -9.448 8.825 1.00 0.00 C ATOM 1180 CE2 PHE A 75 -6.649 -7.145 8.207 1.00 0.00 C ATOM 1181 CZ PHE A 75 -6.746 -8.139 9.163 1.00 0.00 C ATOM 0 H PHE A 75 -3.412 -11.100 6.416 1.00 0.00 H new ATOM 0 HA PHE A 75 -3.904 -9.817 3.992 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -5.636 -8.213 4.547 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -6.286 -9.828 4.747 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -5.863 -10.786 7.275 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -6.194 -6.683 6.174 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -6.540 -10.227 9.569 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -6.870 -6.121 8.468 1.00 0.00 H new ATOM 0 HZ PHE A 75 -7.042 -7.892 10.172 1.00 0.00 H new ATOM 1191 N ILE A 76 -3.362 -7.432 5.474 1.00 0.00 N ATOM 1192 CA ILE A 76 -2.469 -6.422 6.032 1.00 0.00 C ATOM 1193 C ILE A 76 -3.164 -5.072 6.179 1.00 0.00 C ATOM 1194 O ILE A 76 -4.170 -4.792 5.526 1.00 0.00 O ATOM 1195 CB ILE A 76 -1.193 -6.266 5.176 1.00 0.00 C ATOM 1196 CG1 ILE A 76 -0.365 -5.053 5.610 1.00 0.00 C ATOM 1197 CG2 ILE A 76 -1.548 -6.169 3.701 1.00 0.00 C ATOM 1198 CD1 ILE A 76 0.920 -4.896 4.827 1.00 0.00 C ATOM 0 H ILE A 76 -4.137 -7.056 4.928 1.00 0.00 H new ATOM 0 HA ILE A 76 -2.184 -6.769 7.025 1.00 0.00 H new ATOM 0 HB ILE A 76 -0.582 -7.155 5.332 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.966 -4.151 5.494 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -0.128 -5.144 6.670 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -0.636 -6.060 3.114 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -2.072 -7.074 3.393 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -2.191 -5.304 3.538 1.00 0.00 H new ATOM 0 HD11 ILE A 76 1.459 -4.018 5.184 1.00 0.00 H new ATOM 0 HD12 ILE A 76 1.540 -5.782 4.963 1.00 0.00 H new ATOM 0 HD13 ILE A 76 0.689 -4.774 3.769 1.00 0.00 H new ATOM 1210 N TYR A 77 -2.603 -4.250 7.053 1.00 0.00 N ATOM 1211 CA TYR A 77 -3.131 -2.914 7.333 1.00 0.00 C ATOM 1212 C TYR A 77 -2.014 -2.009 7.840 1.00 0.00 C ATOM 1213 O TYR A 77 -1.420 -2.274 8.884 1.00 0.00 O ATOM 1214 CB TYR A 77 -4.250 -3.003 8.378 1.00 0.00 C ATOM 1215 CG TYR A 77 -4.883 -1.674 8.750 1.00 0.00 C ATOM 1216 CD1 TYR A 77 -4.609 -0.513 8.034 1.00 0.00 C ATOM 1217 CD2 TYR A 77 -5.765 -1.587 9.820 1.00 0.00 C ATOM 1218 CE1 TYR A 77 -5.194 0.692 8.377 1.00 0.00 C ATOM 1219 CE2 TYR A 77 -6.354 -0.387 10.166 1.00 0.00 C ATOM 1220 CZ TYR A 77 -6.066 0.750 9.443 1.00 0.00 C ATOM 1221 OH TYR A 77 -6.650 1.946 9.786 1.00 0.00 O ATOM 0 H TYR A 77 -1.769 -4.486 7.590 1.00 0.00 H new ATOM 0 HA TYR A 77 -3.538 -2.493 6.414 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -5.028 -3.667 8.001 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -3.849 -3.463 9.281 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -3.928 -0.554 7.197 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -5.994 -2.474 10.392 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -4.969 1.584 7.812 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -7.038 -0.340 11.000 1.00 0.00 H new ATOM 0 HH TYR A 77 -6.042 2.454 10.363 1.00 0.00 H new ATOM 1231 N PHE A 78 -1.723 -0.946 7.096 1.00 0.00 N ATOM 1232 CA PHE A 78 -0.661 -0.024 7.491 1.00 0.00 C ATOM 1233 C PHE A 78 -1.054 1.430 7.260 1.00 0.00 C ATOM 1234 O PHE A 78 -2.068 1.721 6.626 1.00 0.00 O ATOM 1235 CB PHE A 78 0.628 -0.345 6.729 1.00 0.00 C ATOM 1236 CG PHE A 78 0.491 -0.257 5.234 1.00 0.00 C ATOM 1237 CD1 PHE A 78 0.255 0.960 4.612 1.00 0.00 C ATOM 1238 CD2 PHE A 78 0.598 -1.395 4.452 1.00 0.00 C ATOM 1239 CE1 PHE A 78 0.129 1.038 3.239 1.00 0.00 C ATOM 1240 CE2 PHE A 78 0.473 -1.323 3.078 1.00 0.00 C ATOM 1241 CZ PHE A 78 0.238 -0.104 2.470 1.00 0.00 C ATOM 0 H PHE A 78 -2.200 -0.703 6.228 1.00 0.00 H new ATOM 0 HA PHE A 78 -0.495 -0.156 8.560 1.00 0.00 H new ATOM 0 HB2 PHE A 78 1.410 0.341 7.053 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.955 -1.350 6.995 1.00 0.00 H new ATOM 0 HD1 PHE A 78 0.169 1.857 5.208 1.00 0.00 H new ATOM 0 HD2 PHE A 78 0.781 -2.350 4.922 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -0.055 1.992 2.767 1.00 0.00 H new ATOM 0 HE2 PHE A 78 0.559 -2.218 2.480 1.00 0.00 H new ATOM 0 HZ PHE A 78 0.140 -0.045 1.396 1.00 0.00 H new ATOM 1251 N TYR A 79 -0.233 2.338 7.781 1.00 0.00 N ATOM 1252 CA TYR A 79 -0.474 3.769 7.638 1.00 0.00 C ATOM 1253 C TYR A 79 0.664 4.439 6.878 1.00 0.00 C ATOM 1254 O TYR A 79 1.793 3.949 6.869 1.00 0.00 O ATOM 1255 CB TYR A 79 -0.626 4.431 9.011 1.00 0.00 C ATOM 1256 CG TYR A 79 -1.831 3.959 9.791 1.00 0.00 C ATOM 1257 CD1 TYR A 79 -3.098 3.993 9.230 1.00 0.00 C ATOM 1258 CD2 TYR A 79 -1.703 3.492 11.093 1.00 0.00 C ATOM 1259 CE1 TYR A 79 -4.206 3.573 9.941 1.00 0.00 C ATOM 1260 CE2 TYR A 79 -2.805 3.068 11.812 1.00 0.00 C ATOM 1261 CZ TYR A 79 -4.054 3.112 11.232 1.00 0.00 C ATOM 1262 OH TYR A 79 -5.154 2.693 11.944 1.00 0.00 O ATOM 0 H TYR A 79 0.609 2.105 8.308 1.00 0.00 H new ATOM 0 HA TYR A 79 -1.399 3.894 7.074 1.00 0.00 H new ATOM 0 HB2 TYR A 79 0.272 4.238 9.598 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -0.693 5.511 8.877 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -3.221 4.354 8.220 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -0.726 3.460 11.551 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -5.186 3.606 9.488 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -2.688 2.704 12.822 1.00 0.00 H new ATOM 0 HH TYR A 79 -4.874 2.398 12.835 1.00 0.00 H new ATOM 1272 N LEU A 80 0.357 5.569 6.253 1.00 0.00 N ATOM 1273 CA LEU A 80 1.348 6.326 5.497 1.00 0.00 C ATOM 1274 C LEU A 80 1.167 7.817 5.747 1.00 0.00 C ATOM 1275 O LEU A 80 0.503 8.509 4.975 1.00 0.00 O ATOM 1276 CB LEU A 80 1.223 6.024 4.002 1.00 0.00 C ATOM 1277 CG LEU A 80 2.218 6.763 3.106 1.00 0.00 C ATOM 1278 CD1 LEU A 80 3.647 6.407 3.487 1.00 0.00 C ATOM 1279 CD2 LEU A 80 1.959 6.441 1.643 1.00 0.00 C ATOM 0 H LEU A 80 -0.575 5.983 6.255 1.00 0.00 H new ATOM 0 HA LEU A 80 2.343 6.029 5.830 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.349 4.952 3.852 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.212 6.274 3.680 1.00 0.00 H new ATOM 0 HG LEU A 80 2.081 7.835 3.251 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.341 6.942 2.839 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.828 6.689 4.524 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.798 5.334 3.372 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.676 6.976 1.020 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.067 5.368 1.482 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.948 6.748 1.376 1.00 0.00 H new ATOM 1291 N GLY A 81 1.744 8.303 6.840 1.00 0.00 N ATOM 1292 CA GLY A 81 1.610 9.708 7.179 1.00 0.00 C ATOM 1293 C GLY A 81 0.204 10.036 7.638 1.00 0.00 C ATOM 1294 O GLY A 81 -0.082 10.041 8.835 1.00 0.00 O ATOM 0 H GLY A 81 2.300 7.753 7.495 1.00 0.00 H new ATOM 0 HA2 GLY A 81 2.320 9.963 7.966 1.00 0.00 H new ATOM 0 HA3 GLY A 81 1.863 10.318 6.312 1.00 0.00 H new ATOM 1298 N GLN A 82 -0.681 10.285 6.680 1.00 0.00 N ATOM 1299 CA GLN A 82 -2.074 10.585 6.982 1.00 0.00 C ATOM 1300 C GLN A 82 -3.008 9.657 6.212 1.00 0.00 C ATOM 1301 O GLN A 82 -4.228 9.796 6.285 1.00 0.00 O ATOM 1302 CB GLN A 82 -2.405 12.041 6.653 1.00 0.00 C ATOM 1303 CG GLN A 82 -2.135 12.415 5.202 1.00 0.00 C ATOM 1304 CD GLN A 82 -2.464 13.867 4.876 1.00 0.00 C ATOM 1305 OE1 GLN A 82 -2.938 14.627 5.861 1.00 0.00 O flip ATOM 1306 NE2 GLN A 82 -2.291 14.303 3.737 1.00 0.00 N flip ATOM 0 H GLN A 82 -0.457 10.285 5.685 1.00 0.00 H new ATOM 0 HA GLN A 82 -2.221 10.426 8.050 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -3.456 12.226 6.878 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -1.821 12.693 7.302 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -1.085 12.230 4.977 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -2.720 11.764 4.553 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -1.926 13.691 3.007 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -2.513 15.276 3.524 1.00 0.00 H new ATOM 1315 N VAL A 83 -2.431 8.706 5.479 1.00 0.00 N ATOM 1316 CA VAL A 83 -3.216 7.758 4.707 1.00 0.00 C ATOM 1317 C VAL A 83 -3.286 6.422 5.433 1.00 0.00 C ATOM 1318 O VAL A 83 -2.419 6.101 6.247 1.00 0.00 O ATOM 1319 CB VAL A 83 -2.621 7.528 3.302 1.00 0.00 C ATOM 1320 CG1 VAL A 83 -3.616 6.814 2.400 1.00 0.00 C ATOM 1321 CG2 VAL A 83 -2.175 8.844 2.682 1.00 0.00 C ATOM 0 H VAL A 83 -1.422 8.576 5.407 1.00 0.00 H new ATOM 0 HA VAL A 83 -4.214 8.182 4.596 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.744 6.889 3.408 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.172 6.664 1.416 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -3.872 5.847 2.834 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -4.518 7.418 2.303 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -1.759 8.657 1.692 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.030 9.514 2.596 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -1.416 9.305 3.314 1.00 0.00 H new ATOM 1331 N ALA A 84 -4.314 5.647 5.133 1.00 0.00 N ATOM 1332 CA ALA A 84 -4.491 4.346 5.752 1.00 0.00 C ATOM 1333 C ALA A 84 -4.916 3.319 4.714 1.00 0.00 C ATOM 1334 O ALA A 84 -6.012 3.402 4.162 1.00 0.00 O ATOM 1335 CB ALA A 84 -5.522 4.434 6.867 1.00 0.00 C ATOM 0 H ALA A 84 -5.040 5.898 4.462 1.00 0.00 H new ATOM 0 HA ALA A 84 -3.540 4.029 6.180 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -5.647 3.453 7.325 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -5.183 5.145 7.620 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -6.475 4.767 6.456 1.00 0.00 H new ATOM 1341 N ILE A 85 -4.049 2.349 4.447 1.00 0.00 N ATOM 1342 CA ILE A 85 -4.360 1.320 3.472 1.00 0.00 C ATOM 1343 C ILE A 85 -4.604 -0.010 4.147 1.00 0.00 C ATOM 1344 O ILE A 85 -3.875 -0.407 5.054 1.00 0.00 O ATOM 1345 CB ILE A 85 -3.255 1.182 2.401 1.00 0.00 C ATOM 1346 CG1 ILE A 85 -3.483 2.219 1.308 1.00 0.00 C ATOM 1347 CG2 ILE A 85 -3.225 -0.222 1.807 1.00 0.00 C ATOM 1348 CD1 ILE A 85 -2.465 2.159 0.188 1.00 0.00 C ATOM 0 H ILE A 85 -3.134 2.257 4.889 1.00 0.00 H new ATOM 0 HA ILE A 85 -5.274 1.630 2.966 1.00 0.00 H new ATOM 0 HB ILE A 85 -2.288 1.355 2.874 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -4.479 2.079 0.889 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -3.462 3.214 1.753 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -2.436 -0.283 1.057 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -3.032 -0.947 2.597 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -4.186 -0.441 1.341 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -2.692 2.926 -0.552 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -1.468 2.330 0.593 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -2.501 1.177 -0.285 1.00 0.00 H new ATOM 1360 N LEU A 86 -5.639 -0.694 3.694 1.00 0.00 N ATOM 1361 CA LEU A 86 -5.987 -1.986 4.259 1.00 0.00 C ATOM 1362 C LEU A 86 -6.214 -3.026 3.168 1.00 0.00 C ATOM 1363 O LEU A 86 -7.236 -3.015 2.482 1.00 0.00 O ATOM 1364 CB LEU A 86 -7.235 -1.875 5.142 1.00 0.00 C ATOM 1365 CG LEU A 86 -8.485 -1.311 4.455 1.00 0.00 C ATOM 1366 CD1 LEU A 86 -9.712 -1.507 5.335 1.00 0.00 C ATOM 1367 CD2 LEU A 86 -8.295 0.165 4.129 1.00 0.00 C ATOM 0 H LEU A 86 -6.251 -0.379 2.941 1.00 0.00 H new ATOM 0 HA LEU A 86 -5.147 -2.311 4.873 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -7.472 -2.865 5.531 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -6.997 -1.244 5.999 1.00 0.00 H new ATOM 0 HG LEU A 86 -8.639 -1.854 3.522 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -10.589 -1.101 4.832 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -9.860 -2.571 5.521 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -9.566 -0.990 6.283 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -9.192 0.548 3.642 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -8.116 0.721 5.049 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -7.441 0.283 3.462 1.00 0.00 H new ATOM 1379 N LEU A 87 -5.263 -3.936 3.027 1.00 0.00 N ATOM 1380 CA LEU A 87 -5.364 -5.000 2.042 1.00 0.00 C ATOM 1381 C LEU A 87 -5.852 -6.271 2.718 1.00 0.00 C ATOM 1382 O LEU A 87 -5.580 -6.486 3.897 1.00 0.00 O ATOM 1383 CB LEU A 87 -4.009 -5.214 1.355 1.00 0.00 C ATOM 1384 CG LEU A 87 -3.902 -6.464 0.478 1.00 0.00 C ATOM 1385 CD1 LEU A 87 -2.710 -6.351 -0.460 1.00 0.00 C ATOM 1386 CD2 LEU A 87 -3.775 -7.711 1.343 1.00 0.00 C ATOM 0 H LEU A 87 -4.409 -3.958 3.585 1.00 0.00 H new ATOM 0 HA LEU A 87 -6.084 -4.722 1.273 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.792 -4.341 0.740 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.237 -5.263 2.122 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.810 -6.546 -0.119 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -2.647 -7.247 -1.077 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.832 -5.477 -1.100 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -1.796 -6.248 0.124 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.700 -8.591 0.704 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.881 -7.635 1.962 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -4.653 -7.801 1.983 1.00 0.00 H new ATOM 1398 N PHE A 88 -6.584 -7.099 1.976 1.00 0.00 N ATOM 1399 CA PHE A 88 -7.122 -8.341 2.520 1.00 0.00 C ATOM 1400 C PHE A 88 -7.956 -9.085 1.478 1.00 0.00 C ATOM 1401 O PHE A 88 -8.689 -8.475 0.700 1.00 0.00 O ATOM 1402 CB PHE A 88 -7.980 -8.053 3.759 1.00 0.00 C ATOM 1403 CG PHE A 88 -9.167 -7.171 3.489 1.00 0.00 C ATOM 1404 CD1 PHE A 88 -10.248 -7.639 2.762 1.00 0.00 C ATOM 1405 CD2 PHE A 88 -9.199 -5.869 3.966 1.00 0.00 C ATOM 1406 CE1 PHE A 88 -11.339 -6.828 2.515 1.00 0.00 C ATOM 1407 CE2 PHE A 88 -10.286 -5.054 3.721 1.00 0.00 C ATOM 1408 CZ PHE A 88 -11.358 -5.532 2.995 1.00 0.00 C ATOM 0 H PHE A 88 -6.817 -6.931 0.997 1.00 0.00 H new ATOM 0 HA PHE A 88 -6.280 -8.973 2.803 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -8.330 -8.998 4.174 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -7.356 -7.583 4.519 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -10.239 -8.650 2.383 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -8.364 -5.488 4.536 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -12.176 -7.206 1.947 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -10.298 -4.042 4.098 1.00 0.00 H new ATOM 0 HZ PHE A 88 -12.209 -4.895 2.803 1.00 0.00 H new ATOM 1418 N LYS A 89 -7.840 -10.409 1.474 1.00 0.00 N ATOM 1419 CA LYS A 89 -8.584 -11.252 0.544 1.00 0.00 C ATOM 1420 C LYS A 89 -9.809 -11.837 1.231 1.00 0.00 C ATOM 1421 O LYS A 89 -9.696 -12.745 2.056 1.00 0.00 O ATOM 1422 CB LYS A 89 -7.686 -12.377 0.026 1.00 0.00 C ATOM 1423 CG LYS A 89 -8.355 -13.293 -0.980 1.00 0.00 C ATOM 1424 CD LYS A 89 -8.394 -12.654 -2.352 1.00 0.00 C ATOM 1425 CE LYS A 89 -6.999 -12.554 -2.955 1.00 0.00 C ATOM 1426 NZ LYS A 89 -6.358 -13.890 -3.099 1.00 0.00 N ATOM 0 H LYS A 89 -7.232 -10.925 2.110 1.00 0.00 H new ATOM 0 HA LYS A 89 -8.912 -10.643 -0.299 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -6.800 -11.938 -0.433 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -7.345 -12.973 0.872 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -7.816 -14.239 -1.031 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -9.369 -13.521 -0.652 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -9.036 -13.239 -3.010 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -8.834 -11.659 -2.280 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -7.059 -12.073 -3.932 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -6.376 -11.919 -2.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -5.578 -13.829 -3.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -5.986 -14.197 -2.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -7.062 -14.578 -3.435 1.00 0.00 H new ATOM 1440 N SER A 90 -10.979 -11.314 0.892 1.00 0.00 N ATOM 1441 CA SER A 90 -12.228 -11.784 1.483 1.00 0.00 C ATOM 1442 C SER A 90 -12.782 -12.979 0.714 1.00 0.00 C ATOM 1443 O SER A 90 -13.995 -13.182 0.651 1.00 0.00 O ATOM 1444 CB SER A 90 -13.261 -10.657 1.507 1.00 0.00 C ATOM 1445 OG SER A 90 -12.798 -9.556 2.269 1.00 0.00 O ATOM 0 H SER A 90 -11.091 -10.563 0.210 1.00 0.00 H new ATOM 0 HA SER A 90 -12.019 -12.099 2.505 1.00 0.00 H new ATOM 0 HB2 SER A 90 -13.475 -10.334 0.488 1.00 0.00 H new ATOM 0 HB3 SER A 90 -14.197 -11.026 1.927 1.00 0.00 H new ATOM 0 HG SER A 90 -11.940 -9.247 1.909 1.00 0.00 H new ATOM 1451 N GLY A 91 -11.886 -13.765 0.131 1.00 0.00 N ATOM 1452 CA GLY A 91 -12.302 -14.931 -0.627 1.00 0.00 C ATOM 1453 C GLY A 91 -12.470 -14.634 -2.103 1.00 0.00 C ATOM 1454 O GLY A 91 -13.250 -15.348 -2.767 1.00 0.00 O ATOM 1455 OXT GLY A 91 -11.822 -13.687 -2.596 1.00 0.00 O ATOM 0 H GLY A 91 -10.878 -13.616 0.169 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -11.565 -15.724 -0.501 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -13.244 -15.304 -0.225 1.00 0.00 H new