USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=31 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 72 THR OG1 : rot -34:sc= 0.589 USER MOD Set 1.2: A 90 SER OG : rot 180:sc= 0.904 USER MOD Set 2.1: A 51 ASN : amide:sc= -9.05! C(o=-7.9!,f=-12!) USER MOD Set 2.2: A 89 LYS NZ :NH3+ 157:sc= 1.1 (180deg=0) USER MOD Set 3.1: A 77 TYR OH : rot -96:sc= 0.703! USER MOD Set 3.2: A 79 TYR OH : rot 83:sc= 1.3 USER MOD Set 4.1: A 13 MET CE :methyl 143:sc= -3.14! (180deg=-4!) USER MOD Set 4.2: A 74 HIS : no HE2:sc= -3.91! C(o=-7.1!,f=-9.3!) USER MOD Single : A 9 LYS NZ :NH3+ -117:sc= 0.104 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 SER OG : rot -18:sc= 0.395 USER MOD Single : A 17 MET CE :methyl -125:sc= -4.51! (180deg=-9.77!) USER MOD Single : A 18 GLN :FLIP amide:sc= -6.16! C(o=-8.2!,f=-6.2!) USER MOD Single : A 19 GLN : amide:sc= -0.118 X(o=-0.12,f=-0.12) USER MOD Single : A 24 CYS SG : rot 6:sc= -1.82 USER MOD Single : A 26 THR OG1 : rot 95:sc= 1.22 USER MOD Single : A 27 GLN :FLIP amide:sc= 0 F(o=-0.83,f=0) USER MOD Single : A 29 MET CE :methyl 162:sc= -0.166 (180deg=-0.618) USER MOD Single : A 31 LYS NZ :NH3+ -169:sc= -0.0108 (180deg=-0.189) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN :FLIP amide:sc= -0.757 F(o=-3.4,f=-0.76) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -166:sc= -0.0238 (180deg=-0.288) USER MOD Single : A 49 LYS NZ :NH3+ -105:sc= 0.387 (180deg=-0.135) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= -1.55! USER MOD Single : A 55 HIS : no HD1:sc= -1.47 K(o=-1.5,f=-3.4!) USER MOD Single : A 56 CYS SG : rot 33:sc= -0.206 USER MOD Single : A 61 SER OG : rot -55:sc= 0.882 USER MOD Single : A 63 ASN :FLIP amide:sc= -0.442 F(o=-3,f=-0.44) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 HIS :FLIP no HD1:sc= -1.04 F(o=-1.9!,f=-1) USER MOD Single : A 73 LYS NZ :NH3+ -154:sc= 0.349 (180deg=-0.0437) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 89 N ALA A 6 5.810 5.469 8.444 1.00 0.00 N ATOM 90 CA ALA A 6 5.514 4.041 8.304 1.00 0.00 C ATOM 91 C ALA A 6 5.180 3.420 9.656 1.00 0.00 C ATOM 92 O ALA A 6 6.075 3.101 10.438 1.00 0.00 O ATOM 93 CB ALA A 6 6.681 3.296 7.669 1.00 0.00 C ATOM 0 HA ALA A 6 4.647 3.950 7.650 1.00 0.00 H new ATOM 0 HB1 ALA A 6 6.432 2.239 7.578 1.00 0.00 H new ATOM 0 HB2 ALA A 6 6.881 3.708 6.680 1.00 0.00 H new ATOM 0 HB3 ALA A 6 7.567 3.407 8.294 1.00 0.00 H new ATOM 99 N VAL A 7 3.891 3.251 9.927 1.00 0.00 N ATOM 100 CA VAL A 7 3.449 2.668 11.188 1.00 0.00 C ATOM 101 C VAL A 7 2.536 1.467 10.952 1.00 0.00 C ATOM 102 O VAL A 7 1.316 1.608 10.877 1.00 0.00 O ATOM 103 CB VAL A 7 2.709 3.704 12.057 1.00 0.00 C ATOM 104 CG1 VAL A 7 2.303 3.100 13.393 1.00 0.00 C ATOM 105 CG2 VAL A 7 3.574 4.939 12.265 1.00 0.00 C ATOM 0 H VAL A 7 3.135 3.509 9.292 1.00 0.00 H new ATOM 0 HA VAL A 7 4.344 2.338 11.715 1.00 0.00 H new ATOM 0 HB VAL A 7 1.801 4.003 11.533 1.00 0.00 H new ATOM 0 HG11 VAL A 7 1.783 3.850 13.988 1.00 0.00 H new ATOM 0 HG12 VAL A 7 1.642 2.250 13.222 1.00 0.00 H new ATOM 0 HG13 VAL A 7 3.193 2.766 13.927 1.00 0.00 H new ATOM 0 HG21 VAL A 7 3.036 5.660 12.881 1.00 0.00 H new ATOM 0 HG22 VAL A 7 4.500 4.655 12.764 1.00 0.00 H new ATOM 0 HG23 VAL A 7 3.806 5.388 11.299 1.00 0.00 H new ATOM 115 N ILE A 8 3.135 0.286 10.840 1.00 0.00 N ATOM 116 CA ILE A 8 2.376 -0.939 10.617 1.00 0.00 C ATOM 117 C ILE A 8 1.427 -1.207 11.782 1.00 0.00 C ATOM 118 O ILE A 8 1.772 -0.973 12.941 1.00 0.00 O ATOM 119 CB ILE A 8 3.312 -2.151 10.438 1.00 0.00 C ATOM 120 CG1 ILE A 8 4.324 -1.877 9.324 1.00 0.00 C ATOM 121 CG2 ILE A 8 2.510 -3.411 10.135 1.00 0.00 C ATOM 122 CD1 ILE A 8 3.686 -1.635 7.973 1.00 0.00 C ATOM 0 H ILE A 8 4.144 0.151 10.900 1.00 0.00 H new ATOM 0 HA ILE A 8 1.798 -0.800 9.703 1.00 0.00 H new ATOM 0 HB ILE A 8 3.854 -2.310 11.370 1.00 0.00 H new ATOM 0 HG12 ILE A 8 4.923 -1.008 9.595 1.00 0.00 H new ATOM 0 HG13 ILE A 8 5.006 -2.724 9.248 1.00 0.00 H new ATOM 0 HG21 ILE A 8 3.190 -4.254 10.012 1.00 0.00 H new ATOM 0 HG22 ILE A 8 1.826 -3.614 10.959 1.00 0.00 H new ATOM 0 HG23 ILE A 8 1.940 -3.268 9.217 1.00 0.00 H new ATOM 0 HD11 ILE A 8 4.463 -1.448 7.232 1.00 0.00 H new ATOM 0 HD12 ILE A 8 3.110 -2.513 7.680 1.00 0.00 H new ATOM 0 HD13 ILE A 8 3.025 -0.770 8.032 1.00 0.00 H new ATOM 134 N LYS A 9 0.230 -1.697 11.472 1.00 0.00 N ATOM 135 CA LYS A 9 -0.761 -1.990 12.502 1.00 0.00 C ATOM 136 C LYS A 9 -0.827 -3.488 12.789 1.00 0.00 C ATOM 137 O LYS A 9 -0.393 -3.945 13.847 1.00 0.00 O ATOM 138 CB LYS A 9 -2.140 -1.480 12.081 1.00 0.00 C ATOM 139 CG LYS A 9 -3.212 -1.700 13.136 1.00 0.00 C ATOM 140 CD LYS A 9 -4.563 -1.182 12.675 1.00 0.00 C ATOM 141 CE LYS A 9 -5.626 -1.373 13.745 1.00 0.00 C ATOM 142 NZ LYS A 9 -6.957 -0.868 13.302 1.00 0.00 N ATOM 0 H LYS A 9 -0.076 -1.899 10.520 1.00 0.00 H new ATOM 0 HA LYS A 9 -0.456 -1.476 13.414 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -2.073 -0.415 11.858 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -2.439 -1.980 11.160 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -3.287 -2.763 13.363 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -2.924 -1.197 14.059 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -4.483 -0.124 12.425 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -4.863 -1.703 11.765 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -5.704 -2.431 13.995 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -5.324 -0.852 14.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -7.253 -0.084 13.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -6.891 -0.531 12.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -7.656 -1.636 13.358 1.00 0.00 H new ATOM 156 N ASN A 10 -1.374 -4.250 11.845 1.00 0.00 N ATOM 157 CA ASN A 10 -1.495 -5.694 12.010 1.00 0.00 C ATOM 158 C ASN A 10 -1.711 -6.378 10.665 1.00 0.00 C ATOM 159 O ASN A 10 -2.556 -5.961 9.873 1.00 0.00 O ATOM 160 CB ASN A 10 -2.651 -6.024 12.957 1.00 0.00 C ATOM 161 CG ASN A 10 -2.804 -7.516 13.185 1.00 0.00 C ATOM 162 OD1 ASN A 10 -1.888 -8.178 13.675 1.00 0.00 O ATOM 163 ND2 ASN A 10 -3.965 -8.053 12.831 1.00 0.00 N ATOM 0 H ASN A 10 -1.739 -3.893 10.962 1.00 0.00 H new ATOM 0 HA ASN A 10 -0.565 -6.066 12.440 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -2.486 -5.528 13.914 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -3.579 -5.625 12.547 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -4.126 -9.052 12.961 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -4.696 -7.467 12.429 1.00 0.00 H new ATOM 170 N ALA A 11 -0.942 -7.430 10.417 1.00 0.00 N ATOM 171 CA ALA A 11 -1.049 -8.175 9.170 1.00 0.00 C ATOM 172 C ALA A 11 -0.766 -9.658 9.393 1.00 0.00 C ATOM 173 O ALA A 11 0.087 -10.020 10.201 1.00 0.00 O ATOM 174 CB ALA A 11 -0.093 -7.609 8.134 1.00 0.00 C ATOM 0 H ALA A 11 -0.238 -7.786 11.063 1.00 0.00 H new ATOM 0 HA ALA A 11 -2.070 -8.074 8.802 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -0.184 -8.176 7.207 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -0.338 -6.564 7.946 1.00 0.00 H new ATOM 0 HB3 ALA A 11 0.930 -7.681 8.505 1.00 0.00 H new ATOM 180 N ASP A 12 -1.482 -10.510 8.668 1.00 0.00 N ATOM 181 CA ASP A 12 -1.299 -11.952 8.787 1.00 0.00 C ATOM 182 C ASP A 12 -1.106 -12.581 7.413 1.00 0.00 C ATOM 183 O ASP A 12 -2.021 -13.197 6.868 1.00 0.00 O ATOM 184 CB ASP A 12 -2.500 -12.585 9.491 1.00 0.00 C ATOM 185 CG ASP A 12 -2.707 -12.038 10.888 1.00 0.00 C ATOM 186 OD1 ASP A 12 -1.786 -12.174 11.722 1.00 0.00 O ATOM 187 OD2 ASP A 12 -3.789 -11.470 11.150 1.00 0.00 O ATOM 0 H ASP A 12 -2.193 -10.228 7.993 1.00 0.00 H new ATOM 0 HA ASP A 12 -0.405 -12.137 9.383 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -3.398 -12.410 8.899 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -2.359 -13.664 9.544 1.00 0.00 H new ATOM 192 N MET A 13 0.087 -12.414 6.850 1.00 0.00 N ATOM 193 CA MET A 13 0.387 -12.961 5.531 1.00 0.00 C ATOM 194 C MET A 13 1.883 -13.221 5.346 1.00 0.00 C ATOM 195 O MET A 13 2.428 -13.006 4.263 1.00 0.00 O ATOM 196 CB MET A 13 -0.137 -12.019 4.444 1.00 0.00 C ATOM 197 CG MET A 13 0.081 -10.546 4.750 1.00 0.00 C ATOM 198 SD MET A 13 -0.475 -9.469 3.414 1.00 0.00 S ATOM 199 CE MET A 13 -2.199 -9.936 3.293 1.00 0.00 C ATOM 0 H MET A 13 0.858 -11.907 7.284 1.00 0.00 H new ATOM 0 HA MET A 13 -0.118 -13.923 5.445 1.00 0.00 H new ATOM 0 HB2 MET A 13 0.352 -12.261 3.500 1.00 0.00 H new ATOM 0 HB3 MET A 13 -1.203 -12.198 4.305 1.00 0.00 H new ATOM 0 HG2 MET A 13 -0.450 -10.287 5.666 1.00 0.00 H new ATOM 0 HG3 MET A 13 1.141 -10.370 4.936 1.00 0.00 H new ATOM 0 HE1 MET A 13 -2.800 -9.054 3.073 1.00 0.00 H new ATOM 0 HE2 MET A 13 -2.323 -10.668 2.495 1.00 0.00 H new ATOM 0 HE3 MET A 13 -2.525 -10.371 4.238 1.00 0.00 H new ATOM 209 N SER A 14 2.530 -13.706 6.406 1.00 0.00 N ATOM 210 CA SER A 14 3.962 -14.033 6.380 1.00 0.00 C ATOM 211 C SER A 14 4.862 -12.791 6.395 1.00 0.00 C ATOM 212 O SER A 14 6.067 -12.910 6.611 1.00 0.00 O ATOM 213 CB SER A 14 4.293 -14.903 5.166 1.00 0.00 C ATOM 214 OG SER A 14 5.671 -15.233 5.137 1.00 0.00 O ATOM 0 H SER A 14 2.082 -13.884 7.305 1.00 0.00 H new ATOM 0 HA SER A 14 4.167 -14.587 7.296 1.00 0.00 H new ATOM 0 HB2 SER A 14 3.698 -15.816 5.195 1.00 0.00 H new ATOM 0 HB3 SER A 14 4.023 -14.375 4.251 1.00 0.00 H new ATOM 0 HG SER A 14 6.168 -14.613 5.711 1.00 0.00 H new ATOM 220 N GLU A 15 4.281 -11.610 6.173 1.00 0.00 N ATOM 221 CA GLU A 15 5.037 -10.349 6.173 1.00 0.00 C ATOM 222 C GLU A 15 5.748 -10.096 4.846 1.00 0.00 C ATOM 223 O GLU A 15 6.106 -8.957 4.543 1.00 0.00 O ATOM 224 CB GLU A 15 6.057 -10.310 7.318 1.00 0.00 C ATOM 225 CG GLU A 15 5.449 -10.564 8.687 1.00 0.00 C ATOM 226 CD GLU A 15 6.485 -10.562 9.794 1.00 0.00 C ATOM 227 OE1 GLU A 15 7.411 -11.400 9.740 1.00 0.00 O ATOM 228 OE2 GLU A 15 6.370 -9.726 10.713 1.00 0.00 O ATOM 0 H GLU A 15 3.284 -11.497 5.990 1.00 0.00 H new ATOM 0 HA GLU A 15 4.304 -9.556 6.319 1.00 0.00 H new ATOM 0 HB2 GLU A 15 6.830 -11.055 7.130 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.547 -9.336 7.323 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.699 -9.801 8.895 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.933 -11.524 8.679 1.00 0.00 H new ATOM 235 N ASP A 16 5.945 -11.138 4.045 1.00 0.00 N ATOM 236 CA ASP A 16 6.607 -10.970 2.758 1.00 0.00 C ATOM 237 C ASP A 16 5.786 -10.041 1.877 1.00 0.00 C ATOM 238 O ASP A 16 6.311 -9.387 0.976 1.00 0.00 O ATOM 239 CB ASP A 16 6.808 -12.320 2.065 1.00 0.00 C ATOM 240 CG ASP A 16 5.496 -12.973 1.672 1.00 0.00 C ATOM 241 OD1 ASP A 16 4.654 -13.198 2.564 1.00 0.00 O ATOM 242 OD2 ASP A 16 5.312 -13.259 0.469 1.00 0.00 O ATOM 0 H ASP A 16 5.660 -12.094 4.260 1.00 0.00 H new ATOM 0 HA ASP A 16 7.590 -10.530 2.927 1.00 0.00 H new ATOM 0 HB2 ASP A 16 7.421 -12.180 1.175 1.00 0.00 H new ATOM 0 HB3 ASP A 16 7.358 -12.987 2.729 1.00 0.00 H new ATOM 247 N MET A 17 4.493 -9.974 2.168 1.00 0.00 N ATOM 248 CA MET A 17 3.593 -9.113 1.428 1.00 0.00 C ATOM 249 C MET A 17 3.573 -7.739 2.052 1.00 0.00 C ATOM 250 O MET A 17 3.446 -6.740 1.353 1.00 0.00 O ATOM 251 CB MET A 17 2.193 -9.720 1.382 1.00 0.00 C ATOM 252 CG MET A 17 2.113 -10.991 0.555 1.00 0.00 C ATOM 253 SD MET A 17 2.625 -10.737 -1.156 1.00 0.00 S ATOM 254 CE MET A 17 2.459 -12.394 -1.810 1.00 0.00 C ATOM 0 H MET A 17 4.048 -10.509 2.914 1.00 0.00 H new ATOM 0 HA MET A 17 3.948 -9.019 0.402 1.00 0.00 H new ATOM 0 HB2 MET A 17 1.865 -9.936 2.399 1.00 0.00 H new ATOM 0 HB3 MET A 17 1.500 -8.985 0.973 1.00 0.00 H new ATOM 0 HG2 MET A 17 2.743 -11.756 1.009 1.00 0.00 H new ATOM 0 HG3 MET A 17 1.090 -11.368 0.572 1.00 0.00 H new ATOM 0 HE1 MET A 17 3.403 -12.705 -2.256 1.00 0.00 H new ATOM 0 HE2 MET A 17 2.196 -13.079 -1.004 1.00 0.00 H new ATOM 0 HE3 MET A 17 1.677 -12.409 -2.569 1.00 0.00 H new ATOM 264 N GLN A 18 3.751 -7.682 3.363 1.00 0.00 N ATOM 265 CA GLN A 18 3.808 -6.405 4.042 1.00 0.00 C ATOM 266 C GLN A 18 5.019 -5.641 3.522 1.00 0.00 C ATOM 267 O GLN A 18 5.056 -4.411 3.541 1.00 0.00 O ATOM 268 CB GLN A 18 3.900 -6.622 5.550 1.00 0.00 C ATOM 269 CG GLN A 18 2.756 -7.464 6.077 1.00 0.00 C ATOM 270 CD GLN A 18 2.924 -7.861 7.528 1.00 0.00 C ATOM 271 OE1 GLN A 18 2.745 -9.146 7.807 1.00 0.00 O flip ATOM 272 NE2 GLN A 18 3.189 -7.021 8.390 1.00 0.00 N flip ATOM 0 H GLN A 18 3.857 -8.496 3.968 1.00 0.00 H new ATOM 0 HA GLN A 18 2.905 -5.826 3.846 1.00 0.00 H new ATOM 0 HB2 GLN A 18 4.846 -7.107 5.789 1.00 0.00 H new ATOM 0 HB3 GLN A 18 3.901 -5.656 6.055 1.00 0.00 H new ATOM 0 HG2 GLN A 18 1.824 -6.910 5.965 1.00 0.00 H new ATOM 0 HG3 GLN A 18 2.667 -8.364 5.469 1.00 0.00 H new ATOM 0 HE21 GLN A 18 3.318 -6.044 8.127 1.00 0.00 H new ATOM 0 HE22 GLN A 18 3.279 -7.303 9.366 1.00 0.00 H new ATOM 281 N GLN A 19 5.994 -6.400 3.014 1.00 0.00 N ATOM 282 CA GLN A 19 7.197 -5.815 2.443 1.00 0.00 C ATOM 283 C GLN A 19 6.925 -5.376 1.012 1.00 0.00 C ATOM 284 O GLN A 19 7.132 -4.217 0.656 1.00 0.00 O ATOM 285 CB GLN A 19 8.354 -6.817 2.478 1.00 0.00 C ATOM 286 CG GLN A 19 8.762 -7.226 3.885 1.00 0.00 C ATOM 287 CD GLN A 19 9.222 -6.048 4.724 1.00 0.00 C ATOM 288 OE1 GLN A 19 10.185 -5.364 4.377 1.00 0.00 O ATOM 289 NE2 GLN A 19 8.534 -5.808 5.834 1.00 0.00 N ATOM 0 H GLN A 19 5.968 -7.419 2.989 1.00 0.00 H new ATOM 0 HA GLN A 19 7.480 -4.946 3.037 1.00 0.00 H new ATOM 0 HB2 GLN A 19 8.070 -7.708 1.918 1.00 0.00 H new ATOM 0 HB3 GLN A 19 9.215 -6.383 1.971 1.00 0.00 H new ATOM 0 HG2 GLN A 19 7.919 -7.711 4.377 1.00 0.00 H new ATOM 0 HG3 GLN A 19 9.564 -7.962 3.827 1.00 0.00 H new ATOM 0 HE21 GLN A 19 7.743 -6.402 6.082 1.00 0.00 H new ATOM 0 HE22 GLN A 19 8.797 -5.030 6.439 1.00 0.00 H new ATOM 298 N ASP A 20 6.432 -6.306 0.206 1.00 0.00 N ATOM 299 CA ASP A 20 6.100 -6.009 -1.183 1.00 0.00 C ATOM 300 C ASP A 20 4.924 -5.038 -1.243 1.00 0.00 C ATOM 301 O ASP A 20 4.692 -4.394 -2.264 1.00 0.00 O ATOM 302 CB ASP A 20 5.764 -7.294 -1.941 1.00 0.00 C ATOM 303 CG ASP A 20 6.921 -8.271 -1.966 1.00 0.00 C ATOM 304 OD1 ASP A 20 7.998 -7.903 -2.482 1.00 0.00 O ATOM 305 OD2 ASP A 20 6.754 -9.405 -1.470 1.00 0.00 O ATOM 0 H ASP A 20 6.253 -7.270 0.487 1.00 0.00 H new ATOM 0 HA ASP A 20 6.966 -5.546 -1.657 1.00 0.00 H new ATOM 0 HB2 ASP A 20 4.900 -7.770 -1.477 1.00 0.00 H new ATOM 0 HB3 ASP A 20 5.480 -7.045 -2.964 1.00 0.00 H new ATOM 310 N ALA A 21 4.200 -4.929 -0.133 1.00 0.00 N ATOM 311 CA ALA A 21 3.062 -4.024 -0.049 1.00 0.00 C ATOM 312 C ALA A 21 3.554 -2.605 0.163 1.00 0.00 C ATOM 313 O ALA A 21 3.152 -1.683 -0.545 1.00 0.00 O ATOM 314 CB ALA A 21 2.124 -4.437 1.074 1.00 0.00 C ATOM 0 H ALA A 21 4.383 -5.457 0.720 1.00 0.00 H new ATOM 0 HA ALA A 21 2.505 -4.072 -0.985 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.282 -3.746 1.117 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.756 -5.446 0.888 1.00 0.00 H new ATOM 0 HB3 ALA A 21 2.660 -4.415 2.023 1.00 0.00 H new ATOM 320 N VAL A 22 4.446 -2.440 1.133 1.00 0.00 N ATOM 321 CA VAL A 22 5.014 -1.131 1.418 1.00 0.00 C ATOM 322 C VAL A 22 5.773 -0.618 0.201 1.00 0.00 C ATOM 323 O VAL A 22 5.853 0.588 -0.031 1.00 0.00 O ATOM 324 CB VAL A 22 5.960 -1.171 2.636 1.00 0.00 C ATOM 325 CG1 VAL A 22 6.532 0.211 2.925 1.00 0.00 C ATOM 326 CG2 VAL A 22 5.236 -1.723 3.855 1.00 0.00 C ATOM 0 H VAL A 22 4.789 -3.192 1.731 1.00 0.00 H new ATOM 0 HA VAL A 22 4.189 -0.458 1.653 1.00 0.00 H new ATOM 0 HB VAL A 22 6.791 -1.836 2.401 1.00 0.00 H new ATOM 0 HG11 VAL A 22 7.196 0.157 3.788 1.00 0.00 H new ATOM 0 HG12 VAL A 22 7.092 0.562 2.058 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.718 0.905 3.136 1.00 0.00 H new ATOM 0 HG21 VAL A 22 5.918 -1.744 4.705 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.383 -1.087 4.090 1.00 0.00 H new ATOM 0 HG23 VAL A 22 4.888 -2.734 3.644 1.00 0.00 H new ATOM 336 N ASP A 23 6.308 -1.547 -0.589 1.00 0.00 N ATOM 337 CA ASP A 23 7.036 -1.183 -1.798 1.00 0.00 C ATOM 338 C ASP A 23 6.069 -1.019 -2.946 1.00 0.00 C ATOM 339 O ASP A 23 6.161 -0.062 -3.712 1.00 0.00 O ATOM 340 CB ASP A 23 8.108 -2.223 -2.130 1.00 0.00 C ATOM 341 CG ASP A 23 9.191 -2.296 -1.070 1.00 0.00 C ATOM 342 OD1 ASP A 23 8.857 -2.566 0.102 1.00 0.00 O ATOM 343 OD2 ASP A 23 10.372 -2.084 -1.414 1.00 0.00 O ATOM 0 H ASP A 23 6.251 -2.550 -0.414 1.00 0.00 H new ATOM 0 HA ASP A 23 7.544 -0.234 -1.627 1.00 0.00 H new ATOM 0 HB2 ASP A 23 7.640 -3.202 -2.236 1.00 0.00 H new ATOM 0 HB3 ASP A 23 8.560 -1.980 -3.092 1.00 0.00 H new ATOM 348 N CYS A 24 5.108 -1.920 -3.033 1.00 0.00 N ATOM 349 CA CYS A 24 4.096 -1.813 -4.066 1.00 0.00 C ATOM 350 C CYS A 24 3.232 -0.592 -3.773 1.00 0.00 C ATOM 351 O CYS A 24 2.521 -0.099 -4.646 1.00 0.00 O ATOM 352 CB CYS A 24 3.236 -3.077 -4.126 1.00 0.00 C ATOM 353 SG CYS A 24 1.954 -3.035 -5.400 1.00 0.00 S ATOM 0 H CYS A 24 5.007 -2.722 -2.411 1.00 0.00 H new ATOM 0 HA CYS A 24 4.579 -1.702 -5.037 1.00 0.00 H new ATOM 0 HB2 CYS A 24 3.883 -3.936 -4.304 1.00 0.00 H new ATOM 0 HB3 CYS A 24 2.764 -3.229 -3.155 1.00 0.00 H new ATOM 0 HG CYS A 24 2.097 -1.965 -6.125 1.00 0.00 H new ATOM 359 N ALA A 25 3.327 -0.091 -2.537 1.00 0.00 N ATOM 360 CA ALA A 25 2.582 1.088 -2.130 1.00 0.00 C ATOM 361 C ALA A 25 3.402 2.334 -2.416 1.00 0.00 C ATOM 362 O ALA A 25 2.872 3.360 -2.843 1.00 0.00 O ATOM 363 CB ALA A 25 2.223 1.009 -0.653 1.00 0.00 C ATOM 0 H ALA A 25 3.915 -0.490 -1.806 1.00 0.00 H new ATOM 0 HA ALA A 25 1.654 1.137 -2.700 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.665 1.900 -0.366 1.00 0.00 H new ATOM 0 HB2 ALA A 25 1.611 0.125 -0.474 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.135 0.945 -0.060 1.00 0.00 H new ATOM 369 N THR A 26 4.709 2.225 -2.201 1.00 0.00 N ATOM 370 CA THR A 26 5.616 3.330 -2.459 1.00 0.00 C ATOM 371 C THR A 26 5.724 3.550 -3.960 1.00 0.00 C ATOM 372 O THR A 26 5.705 4.683 -4.441 1.00 0.00 O ATOM 373 CB THR A 26 6.996 3.046 -1.866 1.00 0.00 C ATOM 374 OG1 THR A 26 6.909 2.851 -0.466 1.00 0.00 O ATOM 375 CG2 THR A 26 7.994 4.157 -2.112 1.00 0.00 C ATOM 0 H THR A 26 5.161 1.381 -1.849 1.00 0.00 H new ATOM 0 HA THR A 26 5.224 4.230 -1.986 1.00 0.00 H new ATOM 0 HB THR A 26 7.347 2.146 -2.370 1.00 0.00 H new ATOM 0 HG1 THR A 26 6.842 1.893 -0.273 1.00 0.00 H new ATOM 0 HG21 THR A 26 8.952 3.891 -1.665 1.00 0.00 H new ATOM 0 HG22 THR A 26 8.122 4.301 -3.185 1.00 0.00 H new ATOM 0 HG23 THR A 26 7.628 5.081 -1.663 1.00 0.00 H new ATOM 383 N GLN A 27 5.803 2.449 -4.698 1.00 0.00 N ATOM 384 CA GLN A 27 5.881 2.510 -6.151 1.00 0.00 C ATOM 385 C GLN A 27 4.527 2.884 -6.712 1.00 0.00 C ATOM 386 O GLN A 27 4.429 3.681 -7.643 1.00 0.00 O ATOM 387 CB GLN A 27 6.346 1.169 -6.720 1.00 0.00 C ATOM 388 CG GLN A 27 7.721 0.751 -6.230 1.00 0.00 C ATOM 389 CD GLN A 27 8.107 -0.641 -6.689 1.00 0.00 C ATOM 390 OE1 GLN A 27 8.332 -1.533 -5.734 1.00 0.00 O flip ATOM 391 NE2 GLN A 27 8.197 -0.910 -7.888 1.00 0.00 N flip ATOM 0 H GLN A 27 5.815 1.504 -4.314 1.00 0.00 H new ATOM 0 HA GLN A 27 6.609 3.268 -6.439 1.00 0.00 H new ATOM 0 HB2 GLN A 27 5.623 0.399 -6.452 1.00 0.00 H new ATOM 0 HB3 GLN A 27 6.359 1.229 -7.808 1.00 0.00 H new ATOM 0 HG2 GLN A 27 8.462 1.466 -6.587 1.00 0.00 H new ATOM 0 HG3 GLN A 27 7.741 0.789 -5.141 1.00 0.00 H new ATOM 0 HE21 GLN A 27 8.014 -0.190 -8.587 1.00 0.00 H new ATOM 0 HE22 GLN A 27 8.454 -1.852 -8.181 1.00 0.00 H new ATOM 400 N ALA A 28 3.479 2.326 -6.123 1.00 0.00 N ATOM 401 CA ALA A 28 2.132 2.640 -6.562 1.00 0.00 C ATOM 402 C ALA A 28 1.840 4.116 -6.331 1.00 0.00 C ATOM 403 O ALA A 28 1.083 4.734 -7.074 1.00 0.00 O ATOM 404 CB ALA A 28 1.110 1.775 -5.841 1.00 0.00 C ATOM 0 H ALA A 28 3.536 1.663 -5.350 1.00 0.00 H new ATOM 0 HA ALA A 28 2.058 2.428 -7.629 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.108 2.030 -6.188 1.00 0.00 H new ATOM 0 HB2 ALA A 28 1.310 0.724 -6.050 1.00 0.00 H new ATOM 0 HB3 ALA A 28 1.178 1.950 -4.767 1.00 0.00 H new ATOM 410 N MET A 29 2.465 4.677 -5.295 1.00 0.00 N ATOM 411 CA MET A 29 2.289 6.079 -4.961 1.00 0.00 C ATOM 412 C MET A 29 3.113 6.957 -5.893 1.00 0.00 C ATOM 413 O MET A 29 2.730 8.086 -6.194 1.00 0.00 O ATOM 414 CB MET A 29 2.695 6.321 -3.508 1.00 0.00 C ATOM 415 CG MET A 29 2.616 7.776 -3.088 1.00 0.00 C ATOM 416 SD MET A 29 0.953 8.454 -3.239 1.00 0.00 S ATOM 417 CE MET A 29 0.045 7.377 -2.134 1.00 0.00 C ATOM 0 H MET A 29 3.099 4.174 -4.674 1.00 0.00 H new ATOM 0 HA MET A 29 1.238 6.340 -5.084 1.00 0.00 H new ATOM 0 HB2 MET A 29 2.052 5.729 -2.857 1.00 0.00 H new ATOM 0 HB3 MET A 29 3.714 5.964 -3.360 1.00 0.00 H new ATOM 0 HG2 MET A 29 2.950 7.870 -2.055 1.00 0.00 H new ATOM 0 HG3 MET A 29 3.301 8.364 -3.699 1.00 0.00 H new ATOM 0 HE1 MET A 29 -0.903 7.844 -1.868 1.00 0.00 H new ATOM 0 HE2 MET A 29 -0.146 6.425 -2.629 1.00 0.00 H new ATOM 0 HE3 MET A 29 0.630 7.205 -1.231 1.00 0.00 H new ATOM 427 N GLU A 30 4.238 6.426 -6.357 1.00 0.00 N ATOM 428 CA GLU A 30 5.102 7.160 -7.270 1.00 0.00 C ATOM 429 C GLU A 30 4.581 7.027 -8.693 1.00 0.00 C ATOM 430 O GLU A 30 4.564 7.991 -9.458 1.00 0.00 O ATOM 431 CB GLU A 30 6.544 6.655 -7.184 1.00 0.00 C ATOM 432 CG GLU A 30 7.221 6.949 -5.853 1.00 0.00 C ATOM 433 CD GLU A 30 7.395 8.433 -5.598 1.00 0.00 C ATOM 434 OE1 GLU A 30 6.372 9.145 -5.514 1.00 0.00 O ATOM 435 OE2 GLU A 30 8.553 8.883 -5.480 1.00 0.00 O ATOM 0 H GLU A 30 4.572 5.493 -6.116 1.00 0.00 H new ATOM 0 HA GLU A 30 5.095 8.211 -6.983 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.553 5.579 -7.355 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.126 7.110 -7.985 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.631 6.513 -5.047 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.197 6.464 -5.832 1.00 0.00 H new ATOM 442 N LYS A 31 4.135 5.823 -9.029 1.00 0.00 N ATOM 443 CA LYS A 31 3.584 5.548 -10.351 1.00 0.00 C ATOM 444 C LYS A 31 2.161 6.085 -10.441 1.00 0.00 C ATOM 445 O LYS A 31 1.709 6.516 -11.502 1.00 0.00 O ATOM 446 CB LYS A 31 3.600 4.045 -10.636 1.00 0.00 C ATOM 447 CG LYS A 31 4.992 3.437 -10.616 1.00 0.00 C ATOM 448 CD LYS A 31 5.895 4.078 -11.656 1.00 0.00 C ATOM 449 CE LYS A 31 5.353 3.887 -13.064 1.00 0.00 C ATOM 450 NZ LYS A 31 5.230 2.445 -13.422 1.00 0.00 N ATOM 0 H LYS A 31 4.144 5.018 -8.402 1.00 0.00 H new ATOM 0 HA LYS A 31 4.201 6.047 -11.098 1.00 0.00 H new ATOM 0 HB2 LYS A 31 2.980 3.537 -9.897 1.00 0.00 H new ATOM 0 HB3 LYS A 31 3.147 3.864 -11.611 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.430 3.562 -9.626 1.00 0.00 H new ATOM 0 HG3 LYS A 31 4.925 2.365 -10.802 1.00 0.00 H new ATOM 0 HD2 LYS A 31 5.994 5.143 -11.445 1.00 0.00 H new ATOM 0 HD3 LYS A 31 6.893 3.645 -11.588 1.00 0.00 H new ATOM 0 HE2 LYS A 31 4.377 4.366 -13.145 1.00 0.00 H new ATOM 0 HE3 LYS A 31 6.012 4.383 -13.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 5.038 2.355 -14.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 6.117 1.953 -13.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 4.449 2.019 -12.884 1.00 0.00 H new ATOM 464 N TYR A 32 1.467 6.072 -9.306 1.00 0.00 N ATOM 465 CA TYR A 32 0.099 6.570 -9.226 1.00 0.00 C ATOM 466 C TYR A 32 -0.064 7.451 -8.000 1.00 0.00 C ATOM 467 O TYR A 32 0.382 7.104 -6.909 1.00 0.00 O ATOM 468 CB TYR A 32 -0.906 5.415 -9.201 1.00 0.00 C ATOM 469 CG TYR A 32 -1.093 4.757 -10.549 1.00 0.00 C ATOM 470 CD1 TYR A 32 -1.546 5.490 -11.638 1.00 0.00 C ATOM 471 CD2 TYR A 32 -0.821 3.407 -10.735 1.00 0.00 C ATOM 472 CE1 TYR A 32 -1.721 4.898 -12.875 1.00 0.00 C ATOM 473 CE2 TYR A 32 -0.993 2.809 -11.969 1.00 0.00 C ATOM 474 CZ TYR A 32 -1.443 3.558 -13.034 1.00 0.00 C ATOM 475 OH TYR A 32 -1.616 2.964 -14.264 1.00 0.00 O ATOM 0 H TYR A 32 1.835 5.719 -8.423 1.00 0.00 H new ATOM 0 HA TYR A 32 -0.103 7.167 -10.116 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -0.572 4.667 -8.482 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -1.868 5.787 -8.849 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -1.765 6.540 -11.517 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -0.470 2.816 -9.902 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -2.074 5.483 -13.712 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -0.776 1.759 -12.098 1.00 0.00 H new ATOM 0 HH TYR A 32 -1.375 2.016 -14.206 1.00 0.00 H new ATOM 485 N ASN A 33 -0.693 8.601 -8.191 1.00 0.00 N ATOM 486 CA ASN A 33 -0.904 9.542 -7.105 1.00 0.00 C ATOM 487 C ASN A 33 -2.373 9.583 -6.706 1.00 0.00 C ATOM 488 O ASN A 33 -2.796 10.457 -5.949 1.00 0.00 O ATOM 489 CB ASN A 33 -0.430 10.941 -7.522 1.00 0.00 C ATOM 490 CG ASN A 33 1.037 10.984 -7.939 1.00 0.00 C ATOM 491 OD1 ASN A 33 1.784 9.911 -7.678 1.00 0.00 O flip ATOM 492 ND2 ASN A 33 1.503 11.990 -8.475 1.00 0.00 N flip ATOM 0 H ASN A 33 -1.066 8.904 -9.091 1.00 0.00 H new ATOM 0 HA ASN A 33 -0.323 9.212 -6.244 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -1.046 11.294 -8.349 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -0.585 11.631 -6.693 1.00 0.00 H new ATOM 0 HD21 ASN A 33 0.903 12.794 -8.660 1.00 0.00 H new ATOM 0 HD22 ASN A 33 2.489 12.020 -8.734 1.00 0.00 H new ATOM 499 N ILE A 34 -3.148 8.631 -7.217 1.00 0.00 N ATOM 500 CA ILE A 34 -4.567 8.565 -6.907 1.00 0.00 C ATOM 501 C ILE A 34 -4.804 7.672 -5.692 1.00 0.00 C ATOM 502 O ILE A 34 -3.877 7.380 -4.938 1.00 0.00 O ATOM 503 CB ILE A 34 -5.388 8.018 -8.094 1.00 0.00 C ATOM 504 CG1 ILE A 34 -4.604 8.125 -9.405 1.00 0.00 C ATOM 505 CG2 ILE A 34 -6.724 8.742 -8.193 1.00 0.00 C ATOM 506 CD1 ILE A 34 -5.471 8.199 -10.648 1.00 0.00 C ATOM 0 H ILE A 34 -2.816 7.899 -7.845 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.896 9.582 -6.695 1.00 0.00 H new ATOM 0 HB ILE A 34 -5.584 6.961 -7.915 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.971 9.012 -9.365 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.941 7.264 -9.489 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -7.291 8.345 -9.035 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -7.288 8.592 -7.272 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -6.550 9.808 -8.343 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.836 8.273 -11.531 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -6.085 7.301 -10.717 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -6.116 9.076 -10.590 1.00 0.00 H new ATOM 518 N GLU A 35 -6.045 7.232 -5.517 1.00 0.00 N ATOM 519 CA GLU A 35 -6.399 6.360 -4.408 1.00 0.00 C ATOM 520 C GLU A 35 -7.048 5.077 -4.923 1.00 0.00 C ATOM 521 O GLU A 35 -7.044 4.052 -4.239 1.00 0.00 O ATOM 522 CB GLU A 35 -7.340 7.077 -3.438 1.00 0.00 C ATOM 523 CG GLU A 35 -8.645 7.523 -4.076 1.00 0.00 C ATOM 524 CD GLU A 35 -9.558 8.235 -3.096 1.00 0.00 C ATOM 525 OE1 GLU A 35 -9.940 7.614 -2.081 1.00 0.00 O ATOM 526 OE2 GLU A 35 -9.891 9.413 -3.343 1.00 0.00 O ATOM 0 H GLU A 35 -6.824 7.467 -6.132 1.00 0.00 H new ATOM 0 HA GLU A 35 -5.485 6.098 -3.874 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -7.562 6.413 -2.602 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.830 7.948 -3.027 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -8.428 8.187 -4.913 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -9.162 6.654 -4.484 1.00 0.00 H new ATOM 533 N LYS A 36 -7.599 5.137 -6.133 1.00 0.00 N ATOM 534 CA LYS A 36 -8.240 3.980 -6.737 1.00 0.00 C ATOM 535 C LYS A 36 -7.252 3.200 -7.603 1.00 0.00 C ATOM 536 O LYS A 36 -7.457 2.017 -7.873 1.00 0.00 O ATOM 537 CB LYS A 36 -9.447 4.412 -7.573 1.00 0.00 C ATOM 538 CG LYS A 36 -10.187 3.248 -8.212 1.00 0.00 C ATOM 539 CD LYS A 36 -11.399 3.718 -9.000 1.00 0.00 C ATOM 540 CE LYS A 36 -12.419 4.403 -8.102 1.00 0.00 C ATOM 541 NZ LYS A 36 -13.623 4.840 -8.862 1.00 0.00 N ATOM 0 H LYS A 36 -7.613 5.977 -6.712 1.00 0.00 H new ATOM 0 HA LYS A 36 -8.584 3.327 -5.935 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -10.138 4.968 -6.939 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -9.113 5.094 -8.355 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -9.511 2.706 -8.873 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -10.505 2.549 -7.438 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -11.080 4.407 -9.782 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -11.864 2.866 -9.496 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -12.719 3.720 -7.307 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -11.959 5.267 -7.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -14.293 5.302 -8.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -13.340 5.511 -9.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -14.077 4.012 -9.298 1.00 0.00 H new ATOM 555 N ASP A 37 -6.167 3.856 -8.021 1.00 0.00 N ATOM 556 CA ASP A 37 -5.154 3.195 -8.829 1.00 0.00 C ATOM 557 C ASP A 37 -4.093 2.583 -7.936 1.00 0.00 C ATOM 558 O ASP A 37 -3.470 1.584 -8.289 1.00 0.00 O ATOM 559 CB ASP A 37 -4.525 4.165 -9.830 1.00 0.00 C ATOM 560 CG ASP A 37 -5.442 4.448 -11.004 1.00 0.00 C ATOM 561 OD1 ASP A 37 -5.792 3.490 -11.725 1.00 0.00 O ATOM 562 OD2 ASP A 37 -5.811 5.622 -11.203 1.00 0.00 O ATOM 0 H ASP A 37 -5.973 4.836 -7.813 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.636 2.400 -9.398 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -4.284 5.100 -9.325 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -3.586 3.749 -10.196 1.00 0.00 H new ATOM 567 N ILE A 38 -3.918 3.168 -6.757 1.00 0.00 N ATOM 568 CA ILE A 38 -2.963 2.651 -5.798 1.00 0.00 C ATOM 569 C ILE A 38 -3.514 1.361 -5.225 1.00 0.00 C ATOM 570 O ILE A 38 -2.787 0.402 -4.973 1.00 0.00 O ATOM 571 CB ILE A 38 -2.716 3.636 -4.641 1.00 0.00 C ATOM 572 CG1 ILE A 38 -2.515 5.052 -5.176 1.00 0.00 C ATOM 573 CG2 ILE A 38 -1.513 3.200 -3.820 1.00 0.00 C ATOM 574 CD1 ILE A 38 -1.375 5.173 -6.156 1.00 0.00 C ATOM 0 H ILE A 38 -4.425 3.997 -6.448 1.00 0.00 H new ATOM 0 HA ILE A 38 -2.015 2.491 -6.312 1.00 0.00 H new ATOM 0 HB ILE A 38 -3.593 3.635 -3.994 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.435 5.382 -5.659 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -2.335 5.726 -4.338 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -1.352 3.907 -3.006 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -1.694 2.207 -3.408 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.629 3.172 -4.457 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -1.293 6.206 -6.493 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -0.445 4.874 -5.671 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.562 4.526 -7.013 1.00 0.00 H new ATOM 586 N ALA A 39 -4.832 1.346 -5.062 1.00 0.00 N ATOM 587 CA ALA A 39 -5.523 0.176 -4.549 1.00 0.00 C ATOM 588 C ALA A 39 -5.753 -0.814 -5.674 1.00 0.00 C ATOM 589 O ALA A 39 -5.792 -2.027 -5.459 1.00 0.00 O ATOM 590 CB ALA A 39 -6.843 0.576 -3.908 1.00 0.00 C ATOM 0 H ALA A 39 -5.442 2.134 -5.279 1.00 0.00 H new ATOM 0 HA ALA A 39 -4.906 -0.296 -3.784 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -7.348 -0.313 -3.529 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -6.654 1.265 -3.085 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -7.475 1.063 -4.650 1.00 0.00 H new ATOM 596 N ALA A 40 -5.879 -0.281 -6.882 1.00 0.00 N ATOM 597 CA ALA A 40 -6.080 -1.108 -8.057 1.00 0.00 C ATOM 598 C ALA A 40 -4.744 -1.639 -8.561 1.00 0.00 C ATOM 599 O ALA A 40 -4.684 -2.639 -9.273 1.00 0.00 O ATOM 600 CB ALA A 40 -6.786 -0.322 -9.150 1.00 0.00 C ATOM 0 H ALA A 40 -5.845 0.721 -7.071 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.711 -1.953 -7.782 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.928 -0.959 -10.023 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.756 0.016 -8.786 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.181 0.542 -9.426 1.00 0.00 H new ATOM 606 N TYR A 41 -3.669 -0.958 -8.172 1.00 0.00 N ATOM 607 CA TYR A 41 -2.326 -1.358 -8.579 1.00 0.00 C ATOM 608 C TYR A 41 -1.766 -2.397 -7.621 1.00 0.00 C ATOM 609 O TYR A 41 -1.019 -3.290 -8.017 1.00 0.00 O ATOM 610 CB TYR A 41 -1.401 -0.136 -8.635 1.00 0.00 C ATOM 611 CG TYR A 41 0.036 -0.463 -8.990 1.00 0.00 C ATOM 612 CD1 TYR A 41 0.854 -1.156 -8.107 1.00 0.00 C ATOM 613 CD2 TYR A 41 0.570 -0.082 -10.214 1.00 0.00 C ATOM 614 CE1 TYR A 41 2.163 -1.456 -8.432 1.00 0.00 C ATOM 615 CE2 TYR A 41 1.878 -0.377 -10.547 1.00 0.00 C ATOM 616 CZ TYR A 41 2.671 -1.064 -9.652 1.00 0.00 C ATOM 617 OH TYR A 41 3.974 -1.359 -9.977 1.00 0.00 O ATOM 0 H TYR A 41 -3.702 -0.130 -7.578 1.00 0.00 H new ATOM 0 HA TYR A 41 -2.384 -1.800 -9.574 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -1.793 0.570 -9.367 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -1.420 0.365 -7.667 1.00 0.00 H new ATOM 0 HD1 TYR A 41 0.460 -1.466 -7.150 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -0.048 0.455 -10.918 1.00 0.00 H new ATOM 0 HE1 TYR A 41 2.785 -1.995 -7.733 1.00 0.00 H new ATOM 0 HE2 TYR A 41 2.277 -0.071 -11.503 1.00 0.00 H new ATOM 0 HH TYR A 41 4.174 -1.014 -10.872 1.00 0.00 H new ATOM 627 N ILE A 42 -2.143 -2.278 -6.361 1.00 0.00 N ATOM 628 CA ILE A 42 -1.689 -3.203 -5.337 1.00 0.00 C ATOM 629 C ILE A 42 -2.567 -4.443 -5.331 1.00 0.00 C ATOM 630 O ILE A 42 -2.118 -5.541 -4.989 1.00 0.00 O ATOM 631 CB ILE A 42 -1.721 -2.547 -3.946 1.00 0.00 C ATOM 632 CG1 ILE A 42 -0.881 -1.270 -3.946 1.00 0.00 C ATOM 633 CG2 ILE A 42 -1.211 -3.514 -2.889 1.00 0.00 C ATOM 634 CD1 ILE A 42 -1.248 -0.309 -2.837 1.00 0.00 C ATOM 0 H ILE A 42 -2.766 -1.546 -6.020 1.00 0.00 H new ATOM 0 HA ILE A 42 -0.661 -3.482 -5.566 1.00 0.00 H new ATOM 0 HB ILE A 42 -2.753 -2.289 -3.708 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.172 -1.537 -3.852 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.998 -0.767 -4.906 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.241 -3.033 -1.911 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -1.841 -4.403 -2.875 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.185 -3.800 -3.122 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -0.613 0.575 -2.896 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.292 -0.014 -2.942 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -1.104 -0.795 -1.872 1.00 0.00 H new ATOM 646 N LYS A 43 -3.817 -4.264 -5.738 1.00 0.00 N ATOM 647 CA LYS A 43 -4.748 -5.374 -5.799 1.00 0.00 C ATOM 648 C LYS A 43 -4.540 -6.119 -7.100 1.00 0.00 C ATOM 649 O LYS A 43 -4.689 -7.338 -7.158 1.00 0.00 O ATOM 650 CB LYS A 43 -6.201 -4.896 -5.679 1.00 0.00 C ATOM 651 CG LYS A 43 -6.758 -4.290 -6.957 1.00 0.00 C ATOM 652 CD LYS A 43 -8.193 -3.818 -6.768 1.00 0.00 C ATOM 653 CE LYS A 43 -8.831 -3.411 -8.088 1.00 0.00 C ATOM 654 NZ LYS A 43 -10.232 -2.941 -7.906 1.00 0.00 N ATOM 0 H LYS A 43 -4.204 -3.366 -6.028 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.557 -6.040 -4.957 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.827 -5.738 -5.385 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.265 -4.157 -4.880 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -6.135 -3.451 -7.265 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -6.718 -5.028 -7.759 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -8.780 -4.614 -6.310 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -8.210 -2.973 -6.080 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -8.240 -2.620 -8.548 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -8.818 -4.258 -8.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -10.631 -2.673 -8.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -10.803 -3.704 -7.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -10.242 -2.117 -7.272 1.00 0.00 H new ATOM 668 N LYS A 44 -4.161 -5.381 -8.143 1.00 0.00 N ATOM 669 CA LYS A 44 -3.904 -6.010 -9.430 1.00 0.00 C ATOM 670 C LYS A 44 -2.563 -6.724 -9.376 1.00 0.00 C ATOM 671 O LYS A 44 -2.363 -7.749 -10.029 1.00 0.00 O ATOM 672 CB LYS A 44 -3.909 -4.986 -10.570 1.00 0.00 C ATOM 673 CG LYS A 44 -2.690 -4.078 -10.588 1.00 0.00 C ATOM 674 CD LYS A 44 -2.764 -3.070 -11.724 1.00 0.00 C ATOM 675 CE LYS A 44 -1.454 -2.314 -11.891 1.00 0.00 C ATOM 676 NZ LYS A 44 -1.526 -1.316 -12.993 1.00 0.00 N ATOM 0 H LYS A 44 -4.028 -4.370 -8.121 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.701 -6.726 -9.630 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -3.969 -5.516 -11.521 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -4.806 -4.372 -10.490 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -2.613 -3.551 -9.637 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -1.788 -4.680 -10.693 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -3.008 -3.586 -12.653 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.571 -2.363 -11.531 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -1.206 -1.808 -10.958 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -0.650 -3.021 -12.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -0.614 -0.822 -13.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -1.738 -1.802 -13.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -2.276 -0.626 -12.788 1.00 0.00 H new ATOM 690 N GLU A 45 -1.649 -6.177 -8.573 1.00 0.00 N ATOM 691 CA GLU A 45 -0.327 -6.772 -8.421 1.00 0.00 C ATOM 692 C GLU A 45 -0.417 -8.119 -7.718 1.00 0.00 C ATOM 693 O GLU A 45 0.109 -9.117 -8.207 1.00 0.00 O ATOM 694 CB GLU A 45 0.608 -5.834 -7.654 1.00 0.00 C ATOM 695 CG GLU A 45 1.233 -4.752 -8.521 1.00 0.00 C ATOM 696 CD GLU A 45 2.265 -5.300 -9.490 1.00 0.00 C ATOM 697 OE1 GLU A 45 1.897 -6.143 -10.334 1.00 0.00 O ATOM 698 OE2 GLU A 45 3.440 -4.886 -9.402 1.00 0.00 O ATOM 0 H GLU A 45 -1.801 -5.331 -8.024 1.00 0.00 H new ATOM 0 HA GLU A 45 0.085 -6.930 -9.418 1.00 0.00 H new ATOM 0 HB2 GLU A 45 0.051 -5.362 -6.844 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.402 -6.423 -7.194 1.00 0.00 H new ATOM 0 HG2 GLU A 45 0.449 -4.243 -9.081 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.703 -4.005 -7.881 1.00 0.00 H new ATOM 705 N PHE A 46 -1.092 -8.147 -6.576 1.00 0.00 N ATOM 706 CA PHE A 46 -1.245 -9.389 -5.823 1.00 0.00 C ATOM 707 C PHE A 46 -2.227 -10.331 -6.516 1.00 0.00 C ATOM 708 O PHE A 46 -2.037 -11.547 -6.517 1.00 0.00 O ATOM 709 CB PHE A 46 -1.701 -9.105 -4.390 1.00 0.00 C ATOM 710 CG PHE A 46 -0.663 -8.419 -3.537 1.00 0.00 C ATOM 711 CD1 PHE A 46 0.536 -7.975 -4.080 1.00 0.00 C ATOM 712 CD2 PHE A 46 -0.891 -8.219 -2.185 1.00 0.00 C ATOM 713 CE1 PHE A 46 1.482 -7.349 -3.289 1.00 0.00 C ATOM 714 CE2 PHE A 46 0.051 -7.593 -1.392 1.00 0.00 C ATOM 715 CZ PHE A 46 1.239 -7.158 -1.944 1.00 0.00 C ATOM 0 H PHE A 46 -1.539 -7.334 -6.153 1.00 0.00 H new ATOM 0 HA PHE A 46 -0.271 -9.877 -5.785 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -2.597 -8.485 -4.422 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -1.981 -10.046 -3.916 1.00 0.00 H new ATOM 0 HD1 PHE A 46 0.732 -8.120 -5.132 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.818 -8.557 -1.745 1.00 0.00 H new ATOM 0 HE1 PHE A 46 2.411 -7.010 -3.724 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.142 -7.444 -0.340 1.00 0.00 H new ATOM 0 HZ PHE A 46 1.977 -6.669 -1.325 1.00 0.00 H new ATOM 725 N ASP A 47 -3.268 -9.760 -7.112 1.00 0.00 N ATOM 726 CA ASP A 47 -4.275 -10.543 -7.820 1.00 0.00 C ATOM 727 C ASP A 47 -3.626 -11.469 -8.842 1.00 0.00 C ATOM 728 O ASP A 47 -3.845 -12.680 -8.832 1.00 0.00 O ATOM 729 CB ASP A 47 -5.267 -9.606 -8.519 1.00 0.00 C ATOM 730 CG ASP A 47 -6.205 -10.330 -9.467 1.00 0.00 C ATOM 731 OD1 ASP A 47 -6.967 -11.199 -9.001 1.00 0.00 O ATOM 732 OD2 ASP A 47 -6.177 -10.024 -10.678 1.00 0.00 O ATOM 0 H ASP A 47 -3.437 -8.754 -7.119 1.00 0.00 H new ATOM 0 HA ASP A 47 -4.807 -11.156 -7.093 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -5.855 -9.082 -7.765 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -4.713 -8.849 -9.074 1.00 0.00 H new ATOM 737 N LYS A 48 -2.844 -10.880 -9.732 1.00 0.00 N ATOM 738 CA LYS A 48 -2.171 -11.634 -10.783 1.00 0.00 C ATOM 739 C LYS A 48 -0.784 -12.111 -10.342 1.00 0.00 C ATOM 740 O LYS A 48 0.086 -12.344 -11.178 1.00 0.00 O ATOM 741 CB LYS A 48 -2.058 -10.770 -12.044 1.00 0.00 C ATOM 742 CG LYS A 48 -1.540 -11.515 -13.265 1.00 0.00 C ATOM 743 CD LYS A 48 -1.543 -10.624 -14.498 1.00 0.00 C ATOM 744 CE LYS A 48 -0.995 -11.352 -15.714 1.00 0.00 C ATOM 745 NZ LYS A 48 0.410 -11.801 -15.506 1.00 0.00 N ATOM 0 H LYS A 48 -2.658 -9.877 -9.749 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.768 -12.521 -10.997 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -3.039 -10.354 -12.275 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.396 -9.929 -11.837 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -0.528 -11.872 -13.074 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -2.159 -12.394 -13.447 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -2.559 -10.287 -14.702 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -0.945 -9.733 -14.306 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -1.623 -12.215 -15.934 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -1.041 -10.695 -16.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 0.825 -12.076 -16.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 0.965 -11.025 -15.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 0.422 -12.617 -14.861 1.00 0.00 H new ATOM 759 N LYS A 49 -0.570 -12.262 -9.034 1.00 0.00 N ATOM 760 CA LYS A 49 0.732 -12.718 -8.551 1.00 0.00 C ATOM 761 C LYS A 49 0.650 -13.438 -7.211 1.00 0.00 C ATOM 762 O LYS A 49 1.645 -13.536 -6.494 1.00 0.00 O ATOM 763 CB LYS A 49 1.710 -11.546 -8.452 1.00 0.00 C ATOM 764 CG LYS A 49 1.920 -10.813 -9.766 1.00 0.00 C ATOM 765 CD LYS A 49 2.945 -9.699 -9.626 1.00 0.00 C ATOM 766 CE LYS A 49 3.161 -8.971 -10.942 1.00 0.00 C ATOM 767 NZ LYS A 49 4.172 -7.885 -10.818 1.00 0.00 N ATOM 0 H LYS A 49 -1.262 -12.080 -8.307 1.00 0.00 H new ATOM 0 HA LYS A 49 1.096 -13.440 -9.283 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.343 -10.840 -7.707 1.00 0.00 H new ATOM 0 HB3 LYS A 49 2.671 -11.916 -8.095 1.00 0.00 H new ATOM 0 HG2 LYS A 49 2.250 -11.519 -10.528 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.972 -10.396 -10.106 1.00 0.00 H new ATOM 0 HD2 LYS A 49 2.612 -8.990 -8.868 1.00 0.00 H new ATOM 0 HD3 LYS A 49 3.891 -10.115 -9.280 1.00 0.00 H new ATOM 0 HE2 LYS A 49 3.485 -9.683 -11.701 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.215 -8.549 -11.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.691 -6.963 -10.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.706 -8.007 -9.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 4.826 -7.926 -11.625 1.00 0.00 H new ATOM 781 N TYR A 50 -0.521 -13.960 -6.880 1.00 0.00 N ATOM 782 CA TYR A 50 -0.692 -14.685 -5.633 1.00 0.00 C ATOM 783 C TYR A 50 -2.036 -15.393 -5.611 1.00 0.00 C ATOM 784 O TYR A 50 -2.147 -16.524 -5.139 1.00 0.00 O ATOM 785 CB TYR A 50 -0.571 -13.732 -4.438 1.00 0.00 C ATOM 786 CG TYR A 50 -0.365 -14.427 -3.104 1.00 0.00 C ATOM 787 CD1 TYR A 50 -0.278 -15.814 -3.012 1.00 0.00 C ATOM 788 CD2 TYR A 50 -0.252 -13.689 -1.932 1.00 0.00 C ATOM 789 CE1 TYR A 50 -0.087 -16.439 -1.793 1.00 0.00 C ATOM 790 CE2 TYR A 50 -0.060 -14.307 -0.711 1.00 0.00 C ATOM 791 CZ TYR A 50 0.019 -15.682 -0.648 1.00 0.00 C ATOM 792 OH TYR A 50 0.207 -16.301 0.567 1.00 0.00 O ATOM 0 H TYR A 50 -1.362 -13.895 -7.454 1.00 0.00 H new ATOM 0 HA TYR A 50 0.096 -15.435 -5.559 1.00 0.00 H new ATOM 0 HB2 TYR A 50 0.263 -13.052 -4.613 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -1.473 -13.122 -4.382 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -0.361 -16.412 -3.908 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -0.315 -12.612 -1.976 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -0.021 -17.516 -1.740 1.00 0.00 H new ATOM 0 HE2 TYR A 50 0.028 -13.716 0.189 1.00 0.00 H new ATOM 0 HH TYR A 50 0.263 -15.624 1.274 1.00 0.00 H new ATOM 802 N ASN A 51 -3.057 -14.698 -6.111 1.00 0.00 N ATOM 803 CA ASN A 51 -4.423 -15.208 -6.149 1.00 0.00 C ATOM 804 C ASN A 51 -5.385 -14.035 -6.216 1.00 0.00 C ATOM 805 O ASN A 51 -5.057 -12.935 -5.773 1.00 0.00 O ATOM 806 CB ASN A 51 -4.737 -16.066 -4.918 1.00 0.00 C ATOM 807 CG ASN A 51 -4.354 -15.399 -3.602 1.00 0.00 C ATOM 808 OD1 ASN A 51 -4.634 -15.935 -2.531 1.00 0.00 O ATOM 809 ND2 ASN A 51 -3.702 -14.237 -3.663 1.00 0.00 N ATOM 0 H ASN A 51 -2.957 -13.761 -6.502 1.00 0.00 H new ATOM 0 HA ASN A 51 -4.533 -15.840 -7.030 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -5.803 -16.293 -4.905 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -4.210 -17.016 -5.002 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -3.420 -13.765 -2.804 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -3.486 -13.820 -4.569 1.00 0.00 H new ATOM 816 N PRO A 52 -6.572 -14.232 -6.793 1.00 0.00 N ATOM 817 CA PRO A 52 -7.545 -13.164 -6.933 1.00 0.00 C ATOM 818 C PRO A 52 -8.480 -13.022 -5.742 1.00 0.00 C ATOM 819 O PRO A 52 -8.807 -14.000 -5.069 1.00 0.00 O ATOM 820 CB PRO A 52 -8.312 -13.587 -8.180 1.00 0.00 C ATOM 821 CG PRO A 52 -8.298 -15.082 -8.142 1.00 0.00 C ATOM 822 CD PRO A 52 -7.051 -15.491 -7.390 1.00 0.00 C ATOM 0 HA PRO A 52 -7.069 -12.186 -6.998 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -9.331 -13.200 -8.169 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -7.837 -13.209 -9.085 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -9.190 -15.464 -7.646 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -8.293 -15.494 -9.151 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -7.271 -16.237 -6.627 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -6.307 -15.926 -8.057 1.00 0.00 H new ATOM 830 N THR A 53 -8.915 -11.782 -5.490 1.00 0.00 N ATOM 831 CA THR A 53 -8.509 -10.628 -6.310 1.00 0.00 C ATOM 832 C THR A 53 -8.078 -9.462 -5.443 1.00 0.00 C ATOM 833 O THR A 53 -7.850 -8.354 -5.929 1.00 0.00 O ATOM 834 CB THR A 53 -9.648 -10.180 -7.201 1.00 0.00 C ATOM 835 OG1 THR A 53 -10.244 -11.283 -7.861 1.00 0.00 O ATOM 836 CG2 THR A 53 -9.203 -9.197 -8.257 1.00 0.00 C ATOM 0 H THR A 53 -9.548 -11.549 -4.725 1.00 0.00 H new ATOM 0 HA THR A 53 -7.666 -10.947 -6.923 1.00 0.00 H new ATOM 0 HB THR A 53 -10.366 -9.695 -6.540 1.00 0.00 H new ATOM 0 HG1 THR A 53 -10.978 -10.967 -8.429 1.00 0.00 H new ATOM 0 HG21 THR A 53 -10.058 -8.908 -8.868 1.00 0.00 H new ATOM 0 HG22 THR A 53 -8.784 -8.312 -7.777 1.00 0.00 H new ATOM 0 HG23 THR A 53 -8.445 -9.660 -8.889 1.00 0.00 H new ATOM 844 N TRP A 54 -7.969 -9.735 -4.165 1.00 0.00 N ATOM 845 CA TRP A 54 -7.566 -8.735 -3.180 1.00 0.00 C ATOM 846 C TRP A 54 -8.439 -7.482 -3.255 1.00 0.00 C ATOM 847 O TRP A 54 -9.056 -7.196 -4.280 1.00 0.00 O ATOM 848 CB TRP A 54 -6.103 -8.353 -3.378 1.00 0.00 C ATOM 849 CG TRP A 54 -5.171 -9.516 -3.271 1.00 0.00 C ATOM 850 CD1 TRP A 54 -4.776 -10.354 -4.275 1.00 0.00 C ATOM 851 CD2 TRP A 54 -4.545 -9.989 -2.080 1.00 0.00 C ATOM 852 NE1 TRP A 54 -3.914 -11.305 -3.780 1.00 0.00 N ATOM 853 CE2 TRP A 54 -3.760 -11.102 -2.430 1.00 0.00 C ATOM 854 CE3 TRP A 54 -4.568 -9.568 -0.750 1.00 0.00 C ATOM 855 CZ2 TRP A 54 -3.004 -11.799 -1.492 1.00 0.00 C ATOM 856 CZ3 TRP A 54 -3.819 -10.262 0.179 1.00 0.00 C ATOM 857 CH2 TRP A 54 -3.046 -11.366 -0.194 1.00 0.00 C ATOM 0 H TRP A 54 -8.156 -10.656 -3.768 1.00 0.00 H new ATOM 0 HA TRP A 54 -7.696 -9.180 -2.194 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -5.985 -7.890 -4.358 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -5.826 -7.604 -2.636 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -5.093 -10.281 -5.305 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -3.463 -12.040 -4.325 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -5.161 -8.715 -0.453 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -2.405 -12.651 -1.778 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -3.830 -9.947 1.212 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -2.471 -11.887 0.557 1.00 0.00 H new ATOM 868 N HIS A 55 -8.487 -6.736 -2.154 1.00 0.00 N ATOM 869 CA HIS A 55 -9.283 -5.513 -2.094 1.00 0.00 C ATOM 870 C HIS A 55 -8.516 -4.375 -1.418 1.00 0.00 C ATOM 871 O HIS A 55 -9.046 -3.698 -0.536 1.00 0.00 O ATOM 872 CB HIS A 55 -10.593 -5.772 -1.348 1.00 0.00 C ATOM 873 CG HIS A 55 -11.438 -6.839 -1.969 1.00 0.00 C ATOM 874 ND1 HIS A 55 -11.026 -8.149 -2.096 1.00 0.00 N ATOM 875 CD2 HIS A 55 -12.681 -6.786 -2.505 1.00 0.00 C ATOM 876 CE1 HIS A 55 -11.978 -8.854 -2.681 1.00 0.00 C ATOM 877 NE2 HIS A 55 -12.993 -8.050 -2.940 1.00 0.00 N ATOM 0 H HIS A 55 -7.986 -6.956 -1.293 1.00 0.00 H new ATOM 0 HA HIS A 55 -9.502 -5.210 -3.118 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -10.366 -6.053 -0.320 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -11.166 -4.846 -1.306 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -13.310 -5.911 -2.577 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -11.934 -9.909 -2.909 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -13.867 -8.324 -3.390 1.00 0.00 H new ATOM 886 N CYS A 56 -7.268 -4.163 -1.834 1.00 0.00 N ATOM 887 CA CYS A 56 -6.436 -3.102 -1.267 1.00 0.00 C ATOM 888 C CYS A 56 -7.173 -1.765 -1.236 1.00 0.00 C ATOM 889 O CYS A 56 -7.893 -1.418 -2.173 1.00 0.00 O ATOM 890 CB CYS A 56 -5.138 -2.963 -2.067 1.00 0.00 C ATOM 891 SG CYS A 56 -4.013 -1.694 -1.436 1.00 0.00 S ATOM 0 H CYS A 56 -6.811 -4.712 -2.562 1.00 0.00 H new ATOM 0 HA CYS A 56 -6.201 -3.380 -0.240 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -4.621 -3.923 -2.070 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -5.385 -2.731 -3.103 1.00 0.00 H new ATOM 0 HG CYS A 56 -4.128 -1.616 -0.143 1.00 0.00 H new ATOM 897 N ILE A 57 -6.992 -1.018 -0.147 1.00 0.00 N ATOM 898 CA ILE A 57 -7.640 0.277 0.012 1.00 0.00 C ATOM 899 C ILE A 57 -6.643 1.343 0.460 1.00 0.00 C ATOM 900 O ILE A 57 -5.546 1.027 0.921 1.00 0.00 O ATOM 901 CB ILE A 57 -8.778 0.201 1.045 1.00 0.00 C ATOM 902 CG1 ILE A 57 -9.612 -1.058 0.806 1.00 0.00 C ATOM 903 CG2 ILE A 57 -9.646 1.452 0.973 1.00 0.00 C ATOM 904 CD1 ILE A 57 -10.878 -1.120 1.632 1.00 0.00 C ATOM 0 H ILE A 57 -6.400 -1.291 0.638 1.00 0.00 H new ATOM 0 HA ILE A 57 -8.048 0.550 -0.961 1.00 0.00 H new ATOM 0 HB ILE A 57 -8.349 0.148 2.045 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -9.876 -1.112 -0.250 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -9.002 -1.934 1.028 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -10.446 1.383 1.710 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -9.036 2.331 1.182 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -10.078 1.539 -0.024 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -11.415 -2.042 1.407 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -10.623 -1.099 2.691 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -11.510 -0.264 1.394 1.00 0.00 H new ATOM 916 N VAL A 58 -7.034 2.608 0.324 1.00 0.00 N ATOM 917 CA VAL A 58 -6.178 3.724 0.716 1.00 0.00 C ATOM 918 C VAL A 58 -6.989 4.801 1.438 1.00 0.00 C ATOM 919 O VAL A 58 -8.164 5.009 1.135 1.00 0.00 O ATOM 920 CB VAL A 58 -5.483 4.355 -0.508 1.00 0.00 C ATOM 921 CG1 VAL A 58 -4.552 5.481 -0.078 1.00 0.00 C ATOM 922 CG2 VAL A 58 -4.722 3.301 -1.299 1.00 0.00 C ATOM 0 H VAL A 58 -7.939 2.886 -0.055 1.00 0.00 H new ATOM 0 HA VAL A 58 -5.418 3.326 1.389 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.252 4.777 -1.155 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.072 5.912 -0.957 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.126 6.251 0.436 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -3.790 5.086 0.594 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -4.240 3.768 -2.158 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -3.965 2.844 -0.662 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -5.416 2.535 -1.645 1.00 0.00 H new ATOM 932 N GLY A 59 -6.358 5.485 2.393 1.00 0.00 N ATOM 933 CA GLY A 59 -7.050 6.528 3.131 1.00 0.00 C ATOM 934 C GLY A 59 -6.153 7.224 4.132 1.00 0.00 C ATOM 935 O GLY A 59 -5.045 7.638 3.800 1.00 0.00 O ATOM 0 H GLY A 59 -5.387 5.336 2.666 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -7.445 7.263 2.430 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.903 6.094 3.653 1.00 0.00 H new ATOM 939 N ARG A 60 -6.633 7.349 5.363 1.00 0.00 N ATOM 940 CA ARG A 60 -5.868 7.993 6.425 1.00 0.00 C ATOM 941 C ARG A 60 -6.376 7.548 7.791 1.00 0.00 C ATOM 942 O ARG A 60 -5.791 6.674 8.431 1.00 0.00 O ATOM 943 CB ARG A 60 -5.950 9.520 6.299 1.00 0.00 C ATOM 944 CG ARG A 60 -5.346 10.066 5.015 1.00 0.00 C ATOM 945 CD ARG A 60 -5.398 11.585 4.979 1.00 0.00 C ATOM 946 NE ARG A 60 -6.766 12.089 5.060 1.00 0.00 N ATOM 947 CZ ARG A 60 -7.082 13.382 5.054 1.00 0.00 C ATOM 948 NH1 ARG A 60 -6.132 14.305 4.969 1.00 0.00 N ATOM 949 NH2 ARG A 60 -8.354 13.755 5.130 1.00 0.00 N ATOM 0 H ARG A 60 -7.551 7.012 5.652 1.00 0.00 H new ATOM 0 HA ARG A 60 -4.825 7.693 6.326 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -6.995 9.824 6.355 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -5.441 9.973 7.150 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -4.312 9.734 4.928 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -5.884 9.662 4.158 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -4.814 11.987 5.807 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -4.934 11.942 4.059 1.00 0.00 H new ATOM 0 HE ARG A 60 -7.524 11.410 5.125 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -5.153 14.025 4.908 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -6.381 15.294 4.965 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -9.089 13.051 5.193 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -8.596 14.746 5.125 1.00 0.00 H new ATOM 963 N SER A 61 -7.472 8.153 8.224 1.00 0.00 N ATOM 964 CA SER A 61 -8.077 7.822 9.510 1.00 0.00 C ATOM 965 C SER A 61 -9.585 8.036 9.461 1.00 0.00 C ATOM 966 O SER A 61 -10.179 8.575 10.394 1.00 0.00 O ATOM 967 CB SER A 61 -7.465 8.675 10.620 1.00 0.00 C ATOM 968 OG SER A 61 -8.031 8.356 11.881 1.00 0.00 O ATOM 0 H SER A 61 -7.964 8.879 7.703 1.00 0.00 H new ATOM 0 HA SER A 61 -7.879 6.771 9.722 1.00 0.00 H new ATOM 0 HB2 SER A 61 -6.387 8.517 10.652 1.00 0.00 H new ATOM 0 HB3 SER A 61 -7.626 9.731 10.402 1.00 0.00 H new ATOM 0 HG SER A 61 -9.006 8.446 11.834 1.00 0.00 H new ATOM 974 N GLY A 62 -10.195 7.615 8.359 1.00 0.00 N ATOM 975 CA GLY A 62 -11.629 7.772 8.201 1.00 0.00 C ATOM 976 C GLY A 62 -12.424 6.790 9.035 1.00 0.00 C ATOM 977 O GLY A 62 -13.054 7.171 10.021 1.00 0.00 O ATOM 0 H GLY A 62 -9.723 7.168 7.573 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -11.911 8.788 8.478 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -11.890 7.644 7.151 1.00 0.00 H new ATOM 981 N ASN A 63 -12.395 5.523 8.635 1.00 0.00 N ATOM 982 CA ASN A 63 -13.121 4.469 9.344 1.00 0.00 C ATOM 983 C ASN A 63 -13.017 3.134 8.612 1.00 0.00 C ATOM 984 O ASN A 63 -14.029 2.522 8.264 1.00 0.00 O ATOM 985 CB ASN A 63 -14.597 4.853 9.529 1.00 0.00 C ATOM 986 CG ASN A 63 -15.341 5.144 8.228 1.00 0.00 C ATOM 987 OD1 ASN A 63 -14.667 5.038 7.081 1.00 0.00 O flip ATOM 988 ND2 ASN A 63 -16.530 5.464 8.253 1.00 0.00 N flip ATOM 0 H ASN A 63 -11.875 5.198 7.820 1.00 0.00 H new ATOM 0 HA ASN A 63 -12.660 4.358 10.325 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -15.107 4.044 10.052 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -14.653 5.733 10.170 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -17.020 5.537 9.145 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -17.025 5.656 7.382 1.00 0.00 H new ATOM 995 N PHE A 64 -11.789 2.686 8.384 1.00 0.00 N ATOM 996 CA PHE A 64 -11.553 1.420 7.698 1.00 0.00 C ATOM 997 C PHE A 64 -10.451 0.623 8.384 1.00 0.00 C ATOM 998 O PHE A 64 -9.492 0.185 7.750 1.00 0.00 O ATOM 999 CB PHE A 64 -11.213 1.659 6.220 1.00 0.00 C ATOM 1000 CG PHE A 64 -10.005 2.532 5.971 1.00 0.00 C ATOM 1001 CD1 PHE A 64 -9.201 2.983 7.012 1.00 0.00 C ATOM 1002 CD2 PHE A 64 -9.675 2.900 4.675 1.00 0.00 C ATOM 1003 CE1 PHE A 64 -8.101 3.780 6.761 1.00 0.00 C ATOM 1004 CE2 PHE A 64 -8.575 3.698 4.421 1.00 0.00 C ATOM 1005 CZ PHE A 64 -7.789 4.139 5.465 1.00 0.00 C ATOM 0 H PHE A 64 -10.941 3.179 8.663 1.00 0.00 H new ATOM 0 HA PHE A 64 -12.471 0.834 7.747 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -11.049 0.694 5.741 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -12.076 2.114 5.734 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -9.439 2.707 8.029 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -10.286 2.558 3.853 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -7.485 4.122 7.579 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -8.331 3.976 3.406 1.00 0.00 H new ATOM 0 HZ PHE A 64 -6.931 4.764 5.269 1.00 0.00 H new ATOM 1015 N GLY A 65 -10.603 0.438 9.691 1.00 0.00 N ATOM 1016 CA GLY A 65 -9.624 -0.307 10.458 1.00 0.00 C ATOM 1017 C GLY A 65 -10.240 -1.489 11.181 1.00 0.00 C ATOM 1018 O GLY A 65 -9.596 -2.523 11.354 1.00 0.00 O ATOM 0 H GLY A 65 -11.390 0.793 10.234 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -8.837 -0.661 9.792 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -9.154 0.356 11.184 1.00 0.00 H new ATOM 1022 N SER A 66 -11.491 -1.336 11.606 1.00 0.00 N ATOM 1023 CA SER A 66 -12.190 -2.401 12.316 1.00 0.00 C ATOM 1024 C SER A 66 -13.178 -3.118 11.401 1.00 0.00 C ATOM 1025 O SER A 66 -14.181 -3.665 11.860 1.00 0.00 O ATOM 1026 CB SER A 66 -12.919 -1.839 13.537 1.00 0.00 C ATOM 1027 OG SER A 66 -13.875 -0.866 13.157 1.00 0.00 O ATOM 0 H SER A 66 -12.040 -0.487 11.471 1.00 0.00 H new ATOM 0 HA SER A 66 -11.446 -3.125 12.648 1.00 0.00 H new ATOM 0 HB2 SER A 66 -13.413 -2.649 14.074 1.00 0.00 H new ATOM 0 HB3 SER A 66 -12.197 -1.396 14.223 1.00 0.00 H new ATOM 0 HG SER A 66 -14.328 -0.524 13.955 1.00 0.00 H new ATOM 1033 N TYR A 67 -12.885 -3.111 10.106 1.00 0.00 N ATOM 1034 CA TYR A 67 -13.747 -3.760 9.123 1.00 0.00 C ATOM 1035 C TYR A 67 -12.938 -4.560 8.098 1.00 0.00 C ATOM 1036 O TYR A 67 -13.507 -5.244 7.248 1.00 0.00 O ATOM 1037 CB TYR A 67 -14.610 -2.721 8.406 1.00 0.00 C ATOM 1038 CG TYR A 67 -15.512 -1.937 9.333 1.00 0.00 C ATOM 1039 CD1 TYR A 67 -16.469 -2.579 10.110 1.00 0.00 C ATOM 1040 CD2 TYR A 67 -15.405 -0.555 9.432 1.00 0.00 C ATOM 1041 CE1 TYR A 67 -17.296 -1.865 10.957 1.00 0.00 C ATOM 1042 CE2 TYR A 67 -16.227 0.165 10.278 1.00 0.00 C ATOM 1043 CZ TYR A 67 -17.171 -0.495 11.038 1.00 0.00 C ATOM 1044 OH TYR A 67 -17.992 0.219 11.881 1.00 0.00 O ATOM 0 H TYR A 67 -12.058 -2.664 9.711 1.00 0.00 H new ATOM 0 HA TYR A 67 -14.389 -4.457 9.661 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -13.960 -2.027 7.873 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -15.222 -3.224 7.657 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -16.568 -3.653 10.051 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -14.668 -0.035 8.838 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -18.036 -2.378 11.552 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -16.131 1.239 10.344 1.00 0.00 H new ATOM 0 HH TYR A 67 -17.774 1.172 11.820 1.00 0.00 H new ATOM 1054 N VAL A 68 -11.611 -4.468 8.175 1.00 0.00 N ATOM 1055 CA VAL A 68 -10.738 -5.180 7.249 1.00 0.00 C ATOM 1056 C VAL A 68 -10.965 -6.687 7.316 1.00 0.00 C ATOM 1057 O VAL A 68 -10.718 -7.403 6.345 1.00 0.00 O ATOM 1058 CB VAL A 68 -9.254 -4.879 7.541 1.00 0.00 C ATOM 1059 CG1 VAL A 68 -8.348 -5.593 6.547 1.00 0.00 C ATOM 1060 CG2 VAL A 68 -9.003 -3.381 7.515 1.00 0.00 C ATOM 0 H VAL A 68 -11.119 -3.907 8.870 1.00 0.00 H new ATOM 0 HA VAL A 68 -10.986 -4.829 6.247 1.00 0.00 H new ATOM 0 HB VAL A 68 -9.020 -5.253 8.538 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.307 -5.364 6.774 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.507 -6.669 6.618 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -8.581 -5.257 5.536 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -7.951 -3.185 7.723 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.258 -2.986 6.532 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -9.619 -2.896 8.272 1.00 0.00 H new ATOM 1070 N THR A 69 -11.443 -7.163 8.457 1.00 0.00 N ATOM 1071 CA THR A 69 -11.707 -8.581 8.637 1.00 0.00 C ATOM 1072 C THR A 69 -12.746 -9.051 7.643 1.00 0.00 C ATOM 1073 O THR A 69 -12.444 -9.812 6.722 1.00 0.00 O ATOM 1074 CB THR A 69 -12.183 -8.857 10.064 1.00 0.00 C ATOM 1075 OG1 THR A 69 -11.206 -8.449 11.006 1.00 0.00 O ATOM 1076 CG2 THR A 69 -12.486 -10.319 10.324 1.00 0.00 C ATOM 0 H THR A 69 -11.656 -6.587 9.271 1.00 0.00 H new ATOM 0 HA THR A 69 -10.781 -9.130 8.465 1.00 0.00 H new ATOM 0 HB THR A 69 -13.105 -8.286 10.175 1.00 0.00 H new ATOM 0 HG1 THR A 69 -11.529 -8.632 11.913 1.00 0.00 H new ATOM 0 HG21 THR A 69 -12.818 -10.444 11.355 1.00 0.00 H new ATOM 0 HG22 THR A 69 -13.271 -10.654 9.646 1.00 0.00 H new ATOM 0 HG23 THR A 69 -11.587 -10.912 10.158 1.00 0.00 H new ATOM 1084 N HIS A 70 -13.974 -8.593 7.839 1.00 0.00 N ATOM 1085 CA HIS A 70 -15.089 -8.962 6.971 1.00 0.00 C ATOM 1086 C HIS A 70 -15.040 -10.449 6.607 1.00 0.00 C ATOM 1087 O HIS A 70 -15.568 -10.861 5.575 1.00 0.00 O ATOM 1088 CB HIS A 70 -15.072 -8.112 5.700 1.00 0.00 C ATOM 1089 CG HIS A 70 -16.291 -8.275 4.845 1.00 0.00 C ATOM 1090 ND1 HIS A 70 -17.425 -8.991 5.042 1.00 0.00 N flip ATOM 1091 CD2 HIS A 70 -16.444 -7.650 3.625 1.00 0.00 C flip ATOM 1092 CE1 HIS A 70 -18.231 -8.786 3.949 1.00 0.00 C flip ATOM 1093 NE2 HIS A 70 -17.617 -7.973 3.110 1.00 0.00 N flip ATOM 0 H HIS A 70 -14.227 -7.960 8.597 1.00 0.00 H new ATOM 0 HA HIS A 70 -16.015 -8.776 7.516 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -14.973 -7.063 5.978 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -14.191 -8.371 5.113 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -15.718 -6.998 3.163 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -19.209 -9.220 3.800 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -17.986 -7.649 2.216 1.00 0.00 H new ATOM 1102 N GLU A 71 -14.384 -11.249 7.451 1.00 0.00 N ATOM 1103 CA GLU A 71 -14.255 -12.683 7.203 1.00 0.00 C ATOM 1104 C GLU A 71 -13.406 -12.927 5.960 1.00 0.00 C ATOM 1105 O GLU A 71 -13.785 -13.685 5.068 1.00 0.00 O ATOM 1106 CB GLU A 71 -15.633 -13.330 7.036 1.00 0.00 C ATOM 1107 CG GLU A 71 -16.541 -13.147 8.241 1.00 0.00 C ATOM 1108 CD GLU A 71 -15.958 -13.747 9.506 1.00 0.00 C ATOM 1109 OE1 GLU A 71 -15.716 -14.973 9.525 1.00 0.00 O ATOM 1110 OE2 GLU A 71 -15.743 -12.992 10.477 1.00 0.00 O ATOM 0 H GLU A 71 -13.936 -10.927 8.309 1.00 0.00 H new ATOM 0 HA GLU A 71 -13.763 -13.138 8.063 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -16.120 -12.907 6.157 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -15.504 -14.396 6.847 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -16.721 -12.083 8.397 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -17.507 -13.608 8.037 1.00 0.00 H new ATOM 1117 N THR A 72 -12.255 -12.263 5.910 1.00 0.00 N ATOM 1118 CA THR A 72 -11.343 -12.379 4.781 1.00 0.00 C ATOM 1119 C THR A 72 -10.404 -13.576 4.939 1.00 0.00 C ATOM 1120 O THR A 72 -10.117 -14.277 3.970 1.00 0.00 O ATOM 1121 CB THR A 72 -10.535 -11.090 4.638 1.00 0.00 C ATOM 1122 OG1 THR A 72 -11.392 -9.985 4.410 1.00 0.00 O ATOM 1123 CG2 THR A 72 -9.529 -11.129 3.513 1.00 0.00 C ATOM 0 H THR A 72 -11.932 -11.635 6.646 1.00 0.00 H new ATOM 0 HA THR A 72 -11.935 -12.540 3.880 1.00 0.00 H new ATOM 0 HB THR A 72 -9.994 -10.986 5.579 1.00 0.00 H new ATOM 0 HG1 THR A 72 -12.163 -10.273 3.879 1.00 0.00 H new ATOM 0 HG21 THR A 72 -8.993 -10.181 3.471 1.00 0.00 H new ATOM 0 HG22 THR A 72 -8.821 -11.939 3.686 1.00 0.00 H new ATOM 0 HG23 THR A 72 -10.046 -11.295 2.568 1.00 0.00 H new ATOM 1131 N LYS A 73 -9.936 -13.800 6.162 1.00 0.00 N ATOM 1132 CA LYS A 73 -9.032 -14.914 6.455 1.00 0.00 C ATOM 1133 C LYS A 73 -7.645 -14.696 5.848 1.00 0.00 C ATOM 1134 O LYS A 73 -6.888 -15.649 5.663 1.00 0.00 O ATOM 1135 CB LYS A 73 -9.622 -16.229 5.933 1.00 0.00 C ATOM 1136 CG LYS A 73 -10.978 -16.568 6.532 1.00 0.00 C ATOM 1137 CD LYS A 73 -10.897 -16.714 8.043 1.00 0.00 C ATOM 1138 CE LYS A 73 -12.252 -17.055 8.642 1.00 0.00 C ATOM 1139 NZ LYS A 73 -13.268 -16.006 8.352 1.00 0.00 N ATOM 0 H LYS A 73 -10.167 -13.224 6.972 1.00 0.00 H new ATOM 0 HA LYS A 73 -8.922 -14.967 7.538 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.718 -16.170 4.849 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -8.926 -17.040 6.148 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -11.695 -15.787 6.278 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -11.349 -17.495 6.095 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -10.179 -17.494 8.296 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -10.528 -15.786 8.480 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -12.594 -18.011 8.245 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -12.152 -17.175 9.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -14.001 -16.019 9.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -12.809 -15.073 8.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -13.705 -16.192 7.427 1.00 0.00 H new ATOM 1153 N HIS A 74 -7.319 -13.443 5.538 1.00 0.00 N ATOM 1154 CA HIS A 74 -6.025 -13.095 4.945 1.00 0.00 C ATOM 1155 C HIS A 74 -6.021 -11.616 4.570 1.00 0.00 C ATOM 1156 O HIS A 74 -6.569 -11.237 3.536 1.00 0.00 O ATOM 1157 CB HIS A 74 -5.775 -13.952 3.697 1.00 0.00 C ATOM 1158 CG HIS A 74 -4.420 -13.771 3.089 1.00 0.00 C ATOM 1159 ND1 HIS A 74 -4.022 -14.428 1.945 1.00 0.00 N ATOM 1160 CD2 HIS A 74 -3.366 -13.014 3.472 1.00 0.00 C ATOM 1161 CE1 HIS A 74 -2.782 -14.085 1.650 1.00 0.00 C ATOM 1162 NE2 HIS A 74 -2.360 -13.227 2.560 1.00 0.00 N ATOM 0 H HIS A 74 -7.937 -12.645 5.688 1.00 0.00 H new ATOM 0 HA HIS A 74 -5.232 -13.287 5.668 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -5.906 -15.002 3.959 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -6.531 -13.714 2.949 1.00 0.00 H new ATOM 0 HD1 HIS A 74 -4.597 -15.079 1.409 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -3.323 -12.364 4.333 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -2.210 -14.445 0.808 1.00 0.00 H new ATOM 1171 N PHE A 75 -5.428 -10.772 5.416 1.00 0.00 N ATOM 1172 CA PHE A 75 -5.416 -9.339 5.141 1.00 0.00 C ATOM 1173 C PHE A 75 -4.230 -8.621 5.779 1.00 0.00 C ATOM 1174 O PHE A 75 -3.370 -9.237 6.408 1.00 0.00 O ATOM 1175 CB PHE A 75 -6.718 -8.717 5.649 1.00 0.00 C ATOM 1176 CG PHE A 75 -6.947 -8.903 7.124 1.00 0.00 C ATOM 1177 CD1 PHE A 75 -6.128 -8.282 8.055 1.00 0.00 C ATOM 1178 CD2 PHE A 75 -7.984 -9.702 7.579 1.00 0.00 C ATOM 1179 CE1 PHE A 75 -6.339 -8.456 9.409 1.00 0.00 C ATOM 1180 CE2 PHE A 75 -8.199 -9.880 8.932 1.00 0.00 C ATOM 1181 CZ PHE A 75 -7.376 -9.255 9.848 1.00 0.00 C ATOM 0 H PHE A 75 -4.960 -11.050 6.279 1.00 0.00 H new ATOM 0 HA PHE A 75 -5.321 -9.218 4.062 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -6.712 -7.651 5.424 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -7.555 -9.153 5.103 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -5.316 -7.655 7.718 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -8.632 -10.192 6.867 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -5.693 -7.967 10.124 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -9.010 -10.507 9.273 1.00 0.00 H new ATOM 0 HZ PHE A 75 -7.543 -9.391 10.906 1.00 0.00 H new ATOM 1191 N ILE A 76 -4.214 -7.300 5.606 1.00 0.00 N ATOM 1192 CA ILE A 76 -3.163 -6.448 6.154 1.00 0.00 C ATOM 1193 C ILE A 76 -3.639 -5.006 6.275 1.00 0.00 C ATOM 1194 O ILE A 76 -4.561 -4.573 5.578 1.00 0.00 O ATOM 1195 CB ILE A 76 -1.880 -6.496 5.294 1.00 0.00 C ATOM 1196 CG1 ILE A 76 -0.925 -5.347 5.647 1.00 0.00 C ATOM 1197 CG2 ILE A 76 -2.232 -6.460 3.819 1.00 0.00 C ATOM 1198 CD1 ILE A 76 0.360 -5.361 4.847 1.00 0.00 C ATOM 0 H ILE A 76 -4.928 -6.793 5.083 1.00 0.00 H new ATOM 0 HA ILE A 76 -2.928 -6.834 7.146 1.00 0.00 H new ATOM 0 HB ILE A 76 -1.367 -7.433 5.511 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.435 -4.398 5.483 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -0.683 -5.400 6.709 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -1.318 -6.494 3.226 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -2.857 -7.319 3.573 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -2.774 -5.541 3.597 1.00 0.00 H new ATOM 0 HD11 ILE A 76 0.986 -4.521 5.149 1.00 0.00 H new ATOM 0 HD12 ILE A 76 0.892 -6.295 5.030 1.00 0.00 H new ATOM 0 HD13 ILE A 76 0.128 -5.277 3.785 1.00 0.00 H new ATOM 1210 N TYR A 77 -2.987 -4.278 7.167 1.00 0.00 N ATOM 1211 CA TYR A 77 -3.309 -2.875 7.415 1.00 0.00 C ATOM 1212 C TYR A 77 -2.067 -2.135 7.895 1.00 0.00 C ATOM 1213 O TYR A 77 -1.534 -2.435 8.964 1.00 0.00 O ATOM 1214 CB TYR A 77 -4.424 -2.774 8.463 1.00 0.00 C ATOM 1215 CG TYR A 77 -4.948 -1.371 8.708 1.00 0.00 C ATOM 1216 CD1 TYR A 77 -4.461 -0.275 8.003 1.00 0.00 C ATOM 1217 CD2 TYR A 77 -5.945 -1.151 9.650 1.00 0.00 C ATOM 1218 CE1 TYR A 77 -4.951 0.996 8.232 1.00 0.00 C ATOM 1219 CE2 TYR A 77 -6.441 0.117 9.883 1.00 0.00 C ATOM 1220 CZ TYR A 77 -5.942 1.187 9.173 1.00 0.00 C ATOM 1221 OH TYR A 77 -6.438 2.448 9.403 1.00 0.00 O ATOM 0 H TYR A 77 -2.223 -4.637 7.739 1.00 0.00 H new ATOM 0 HA TYR A 77 -3.654 -2.418 6.488 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -5.255 -3.406 8.150 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -4.054 -3.177 9.406 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -3.687 -0.420 7.264 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -6.339 -1.986 10.210 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -4.560 1.836 7.677 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -7.217 0.269 10.619 1.00 0.00 H new ATOM 0 HH TYR A 77 -5.972 2.848 10.167 1.00 0.00 H new ATOM 1231 N PHE A 78 -1.598 -1.173 7.105 1.00 0.00 N ATOM 1232 CA PHE A 78 -0.409 -0.414 7.477 1.00 0.00 C ATOM 1233 C PHE A 78 -0.614 1.084 7.285 1.00 0.00 C ATOM 1234 O PHE A 78 -1.350 1.516 6.399 1.00 0.00 O ATOM 1235 CB PHE A 78 0.808 -0.897 6.681 1.00 0.00 C ATOM 1236 CG PHE A 78 0.710 -0.671 5.198 1.00 0.00 C ATOM 1237 CD1 PHE A 78 0.761 0.608 4.670 1.00 0.00 C ATOM 1238 CD2 PHE A 78 0.570 -1.745 4.333 1.00 0.00 C ATOM 1239 CE1 PHE A 78 0.677 0.813 3.306 1.00 0.00 C ATOM 1240 CE2 PHE A 78 0.482 -1.545 2.969 1.00 0.00 C ATOM 1241 CZ PHE A 78 0.537 -0.265 2.455 1.00 0.00 C ATOM 0 H PHE A 78 -2.017 -0.903 6.215 1.00 0.00 H new ATOM 0 HA PHE A 78 -0.226 -0.588 8.537 1.00 0.00 H new ATOM 0 HB2 PHE A 78 1.697 -0.389 7.056 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.948 -1.962 6.865 1.00 0.00 H new ATOM 0 HD1 PHE A 78 0.868 1.455 5.332 1.00 0.00 H new ATOM 0 HD2 PHE A 78 0.529 -2.749 4.730 1.00 0.00 H new ATOM 0 HE1 PHE A 78 0.721 1.815 2.906 1.00 0.00 H new ATOM 0 HE2 PHE A 78 0.370 -2.390 2.305 1.00 0.00 H new ATOM 0 HZ PHE A 78 0.471 -0.107 1.389 1.00 0.00 H new ATOM 1251 N TYR A 79 0.043 1.868 8.137 1.00 0.00 N ATOM 1252 CA TYR A 79 -0.059 3.322 8.086 1.00 0.00 C ATOM 1253 C TYR A 79 1.191 3.945 7.475 1.00 0.00 C ATOM 1254 O TYR A 79 2.286 3.388 7.559 1.00 0.00 O ATOM 1255 CB TYR A 79 -0.266 3.886 9.493 1.00 0.00 C ATOM 1256 CG TYR A 79 -1.573 3.481 10.136 1.00 0.00 C ATOM 1257 CD1 TYR A 79 -2.786 3.928 9.628 1.00 0.00 C ATOM 1258 CD2 TYR A 79 -1.593 2.657 11.254 1.00 0.00 C ATOM 1259 CE1 TYR A 79 -3.982 3.566 10.217 1.00 0.00 C ATOM 1260 CE2 TYR A 79 -2.785 2.288 11.846 1.00 0.00 C ATOM 1261 CZ TYR A 79 -3.977 2.745 11.325 1.00 0.00 C ATOM 1262 OH TYR A 79 -5.166 2.381 11.914 1.00 0.00 O ATOM 0 H TYR A 79 0.654 1.517 8.874 1.00 0.00 H new ATOM 0 HA TYR A 79 -0.914 3.571 7.458 1.00 0.00 H new ATOM 0 HB2 TYR A 79 0.556 3.557 10.129 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -0.218 4.974 9.447 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -2.794 4.569 8.759 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -0.661 2.299 11.667 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -4.917 3.924 9.812 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -2.783 1.644 12.713 1.00 0.00 H new ATOM 0 HH TYR A 79 -5.548 1.616 11.434 1.00 0.00 H new ATOM 1272 N LEU A 80 1.014 5.115 6.875 1.00 0.00 N ATOM 1273 CA LEU A 80 2.115 5.845 6.259 1.00 0.00 C ATOM 1274 C LEU A 80 2.035 7.314 6.646 1.00 0.00 C ATOM 1275 O LEU A 80 1.504 8.138 5.903 1.00 0.00 O ATOM 1276 CB LEU A 80 2.075 5.687 4.742 1.00 0.00 C ATOM 1277 CG LEU A 80 2.240 4.251 4.257 1.00 0.00 C ATOM 1278 CD1 LEU A 80 1.958 4.153 2.766 1.00 0.00 C ATOM 1279 CD2 LEU A 80 3.640 3.743 4.569 1.00 0.00 C ATOM 0 H LEU A 80 0.110 5.582 6.802 1.00 0.00 H new ATOM 0 HA LEU A 80 3.059 5.436 6.618 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.126 6.076 4.373 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.863 6.299 4.304 1.00 0.00 H new ATOM 0 HG LEU A 80 1.519 3.625 4.783 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.081 3.120 2.440 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.937 4.477 2.567 1.00 0.00 H new ATOM 0 HD13 LEU A 80 2.654 4.791 2.221 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.742 2.717 4.216 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.376 4.373 4.069 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.807 3.775 5.646 1.00 0.00 H new ATOM 1291 N GLY A 81 2.542 7.622 7.833 1.00 0.00 N ATOM 1292 CA GLY A 81 2.494 8.987 8.326 1.00 0.00 C ATOM 1293 C GLY A 81 1.086 9.372 8.734 1.00 0.00 C ATOM 1294 O GLY A 81 0.719 9.269 9.905 1.00 0.00 O ATOM 0 H GLY A 81 2.985 6.953 8.463 1.00 0.00 H new ATOM 0 HA2 GLY A 81 3.164 9.092 9.179 1.00 0.00 H new ATOM 0 HA3 GLY A 81 2.851 9.668 7.554 1.00 0.00 H new ATOM 1298 N GLN A 82 0.288 9.788 7.757 1.00 0.00 N ATOM 1299 CA GLN A 82 -1.100 10.159 8.002 1.00 0.00 C ATOM 1300 C GLN A 82 -2.038 9.364 7.097 1.00 0.00 C ATOM 1301 O GLN A 82 -3.257 9.520 7.165 1.00 0.00 O ATOM 1302 CB GLN A 82 -1.319 11.655 7.777 1.00 0.00 C ATOM 1303 CG GLN A 82 -0.903 12.128 6.395 1.00 0.00 C ATOM 1304 CD GLN A 82 -1.130 13.614 6.195 1.00 0.00 C ATOM 1305 OE1 GLN A 82 -0.572 14.441 6.915 1.00 0.00 O ATOM 1306 NE2 GLN A 82 -1.955 13.960 5.211 1.00 0.00 N ATOM 0 H GLN A 82 0.581 9.877 6.784 1.00 0.00 H new ATOM 0 HA GLN A 82 -1.323 9.926 9.043 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -2.373 11.887 7.929 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -0.758 12.213 8.527 1.00 0.00 H new ATOM 0 HG2 GLN A 82 0.152 11.901 6.239 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -1.463 11.574 5.641 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -2.396 13.240 4.638 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -2.147 14.945 5.029 1.00 0.00 H new ATOM 1315 N VAL A 83 -1.467 8.509 6.250 1.00 0.00 N ATOM 1316 CA VAL A 83 -2.258 7.698 5.342 1.00 0.00 C ATOM 1317 C VAL A 83 -2.469 6.311 5.924 1.00 0.00 C ATOM 1318 O VAL A 83 -1.647 5.812 6.691 1.00 0.00 O ATOM 1319 CB VAL A 83 -1.581 7.555 3.963 1.00 0.00 C ATOM 1320 CG1 VAL A 83 -2.572 7.073 2.913 1.00 0.00 C ATOM 1321 CG2 VAL A 83 -0.931 8.864 3.536 1.00 0.00 C ATOM 0 H VAL A 83 -0.460 8.364 6.178 1.00 0.00 H new ATOM 0 HA VAL A 83 -3.214 8.204 5.212 1.00 0.00 H new ATOM 0 HB VAL A 83 -0.797 6.803 4.053 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -2.067 6.981 1.951 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -2.971 6.102 3.208 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -3.389 7.790 2.827 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.461 8.736 2.561 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -1.690 9.644 3.473 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -0.176 9.151 4.268 1.00 0.00 H new ATOM 1331 N ALA A 84 -3.571 5.693 5.546 1.00 0.00 N ATOM 1332 CA ALA A 84 -3.900 4.361 6.012 1.00 0.00 C ATOM 1333 C ALA A 84 -4.287 3.483 4.836 1.00 0.00 C ATOM 1334 O ALA A 84 -5.294 3.728 4.171 1.00 0.00 O ATOM 1335 CB ALA A 84 -5.026 4.417 7.034 1.00 0.00 C ATOM 0 H ALA A 84 -4.259 6.097 4.911 1.00 0.00 H new ATOM 0 HA ALA A 84 -3.024 3.930 6.497 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -5.260 3.408 7.373 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -4.715 5.023 7.885 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -5.911 4.860 6.577 1.00 0.00 H new ATOM 1341 N ILE A 85 -3.482 2.464 4.574 1.00 0.00 N ATOM 1342 CA ILE A 85 -3.749 1.563 3.470 1.00 0.00 C ATOM 1343 C ILE A 85 -4.136 0.187 3.967 1.00 0.00 C ATOM 1344 O ILE A 85 -3.659 -0.279 5.001 1.00 0.00 O ATOM 1345 CB ILE A 85 -2.547 1.460 2.507 1.00 0.00 C ATOM 1346 CG1 ILE A 85 -2.533 2.667 1.576 1.00 0.00 C ATOM 1347 CG2 ILE A 85 -2.590 0.165 1.699 1.00 0.00 C ATOM 1348 CD1 ILE A 85 -1.389 2.657 0.584 1.00 0.00 C ATOM 0 H ILE A 85 -2.643 2.243 5.110 1.00 0.00 H new ATOM 0 HA ILE A 85 -4.589 1.984 2.917 1.00 0.00 H new ATOM 0 HB ILE A 85 -1.632 1.448 3.099 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -3.476 2.704 1.030 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -2.475 3.576 2.175 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -1.730 0.124 1.031 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -2.564 -0.688 2.377 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -3.507 0.133 1.111 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -1.444 3.546 -0.044 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -0.441 2.651 1.122 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -1.457 1.766 -0.041 1.00 0.00 H new ATOM 1360 N LEU A 86 -5.006 -0.450 3.211 1.00 0.00 N ATOM 1361 CA LEU A 86 -5.475 -1.778 3.548 1.00 0.00 C ATOM 1362 C LEU A 86 -5.254 -2.718 2.379 1.00 0.00 C ATOM 1363 O LEU A 86 -5.032 -2.279 1.251 1.00 0.00 O ATOM 1364 CB LEU A 86 -6.965 -1.741 3.896 1.00 0.00 C ATOM 1365 CG LEU A 86 -7.356 -0.741 4.980 1.00 0.00 C ATOM 1366 CD1 LEU A 86 -8.866 -0.711 5.158 1.00 0.00 C ATOM 1367 CD2 LEU A 86 -6.668 -1.087 6.289 1.00 0.00 C ATOM 0 H LEU A 86 -5.405 -0.067 2.354 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.914 -2.135 4.412 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -7.527 -1.510 2.991 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -7.272 -2.737 4.216 1.00 0.00 H new ATOM 0 HG LEU A 86 -7.030 0.252 4.671 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -9.127 0.008 5.935 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -9.337 -0.418 4.220 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -9.218 -1.701 5.447 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -6.956 -0.365 7.053 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -6.966 -2.087 6.604 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -5.587 -1.057 6.151 1.00 0.00 H new ATOM 1379 N LEU A 87 -5.326 -4.008 2.648 1.00 0.00 N ATOM 1380 CA LEU A 87 -5.144 -5.004 1.607 1.00 0.00 C ATOM 1381 C LEU A 87 -5.555 -6.374 2.117 1.00 0.00 C ATOM 1382 O LEU A 87 -4.855 -6.995 2.917 1.00 0.00 O ATOM 1383 CB LEU A 87 -3.698 -4.991 1.106 1.00 0.00 C ATOM 1384 CG LEU A 87 -3.367 -6.014 0.021 1.00 0.00 C ATOM 1385 CD1 LEU A 87 -2.114 -5.592 -0.729 1.00 0.00 C ATOM 1386 CD2 LEU A 87 -3.166 -7.392 0.633 1.00 0.00 C ATOM 0 H LEU A 87 -5.509 -4.391 3.576 1.00 0.00 H new ATOM 0 HA LEU A 87 -5.785 -4.761 0.760 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.474 -3.996 0.722 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.036 -5.162 1.955 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.202 -6.061 -0.678 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.886 -6.328 -1.500 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.278 -4.619 -1.193 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -1.278 -5.526 -0.033 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -2.931 -8.109 -0.154 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.344 -7.356 1.348 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -4.078 -7.700 1.144 1.00 0.00 H new ATOM 1398 N PHE A 88 -6.715 -6.825 1.660 1.00 0.00 N ATOM 1399 CA PHE A 88 -7.257 -8.107 2.074 1.00 0.00 C ATOM 1400 C PHE A 88 -7.888 -8.832 0.893 1.00 0.00 C ATOM 1401 O PHE A 88 -8.233 -8.215 -0.112 1.00 0.00 O ATOM 1402 CB PHE A 88 -8.302 -7.895 3.175 1.00 0.00 C ATOM 1403 CG PHE A 88 -9.546 -7.183 2.715 1.00 0.00 C ATOM 1404 CD1 PHE A 88 -10.463 -7.817 1.892 1.00 0.00 C ATOM 1405 CD2 PHE A 88 -9.797 -5.878 3.111 1.00 0.00 C ATOM 1406 CE1 PHE A 88 -11.606 -7.165 1.472 1.00 0.00 C ATOM 1407 CE2 PHE A 88 -10.939 -5.221 2.694 1.00 0.00 C ATOM 1408 CZ PHE A 88 -11.845 -5.866 1.874 1.00 0.00 C ATOM 0 H PHE A 88 -7.301 -6.316 0.998 1.00 0.00 H new ATOM 0 HA PHE A 88 -6.443 -8.721 2.460 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -8.583 -8.865 3.586 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -7.849 -7.324 3.986 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -10.282 -8.833 1.575 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -9.092 -5.370 3.752 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -12.312 -7.671 0.830 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -11.123 -4.204 3.009 1.00 0.00 H new ATOM 0 HZ PHE A 88 -12.739 -5.355 1.548 1.00 0.00 H new ATOM 1418 N LYS A 89 -8.052 -10.139 1.027 1.00 0.00 N ATOM 1419 CA LYS A 89 -8.660 -10.940 -0.024 1.00 0.00 C ATOM 1420 C LYS A 89 -9.605 -11.967 0.583 1.00 0.00 C ATOM 1421 O LYS A 89 -9.171 -12.958 1.172 1.00 0.00 O ATOM 1422 CB LYS A 89 -7.584 -11.620 -0.872 1.00 0.00 C ATOM 1423 CG LYS A 89 -8.142 -12.456 -2.010 1.00 0.00 C ATOM 1424 CD LYS A 89 -8.198 -13.931 -1.650 1.00 0.00 C ATOM 1425 CE LYS A 89 -6.807 -14.532 -1.571 1.00 0.00 C ATOM 1426 NZ LYS A 89 -6.846 -15.978 -1.219 1.00 0.00 N ATOM 0 H LYS A 89 -7.773 -10.668 1.853 1.00 0.00 H new ATOM 0 HA LYS A 89 -9.237 -10.285 -0.677 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -6.922 -10.858 -1.283 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -6.976 -12.257 -0.229 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -9.143 -12.105 -2.263 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -7.524 -12.321 -2.897 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -8.705 -14.055 -0.693 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -8.787 -14.467 -2.394 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -6.302 -14.405 -2.528 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -6.220 -13.993 -0.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -5.972 -16.438 -1.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -6.929 -16.082 -0.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -7.664 -16.425 -1.679 1.00 0.00 H new ATOM 1440 N SER A 90 -10.901 -11.714 0.443 1.00 0.00 N ATOM 1441 CA SER A 90 -11.924 -12.603 0.984 1.00 0.00 C ATOM 1442 C SER A 90 -12.313 -13.672 -0.029 1.00 0.00 C ATOM 1443 O SER A 90 -13.443 -14.158 -0.037 1.00 0.00 O ATOM 1444 CB SER A 90 -13.161 -11.801 1.393 1.00 0.00 C ATOM 1445 OG SER A 90 -12.842 -10.841 2.386 1.00 0.00 O ATOM 0 H SER A 90 -11.270 -10.897 -0.043 1.00 0.00 H new ATOM 0 HA SER A 90 -11.509 -13.097 1.863 1.00 0.00 H new ATOM 0 HB2 SER A 90 -13.579 -11.300 0.520 1.00 0.00 H new ATOM 0 HB3 SER A 90 -13.928 -12.477 1.770 1.00 0.00 H new ATOM 0 HG SER A 90 -13.649 -10.341 2.629 1.00 0.00 H new ATOM 1451 N GLY A 91 -11.364 -14.036 -0.881 1.00 0.00 N ATOM 1452 CA GLY A 91 -11.617 -15.046 -1.892 1.00 0.00 C ATOM 1453 C GLY A 91 -12.481 -14.530 -3.025 1.00 0.00 C ATOM 1454 O GLY A 91 -12.017 -13.640 -3.768 1.00 0.00 O ATOM 1455 OXT GLY A 91 -13.622 -15.020 -3.171 1.00 0.00 O ATOM 0 H GLY A 91 -10.420 -13.649 -0.891 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -10.667 -15.398 -2.295 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -12.105 -15.904 -1.429 1.00 0.00 H new