USER MOD reduce.3.24.130724 H: found=0, std=0, add=821, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 819 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 88 CYS SG : rot 180:sc= -0.464 USER MOD Set 1.2: A 95 SER OG : rot -149:sc= 1.32 USER MOD Set 2.1: A 39 THR OG1 : rot 180:sc= -0.949 USER MOD Set 2.2: A 90 ASN : amide:sc= -6.35! C(o=-7.3!,f=-17!) USER MOD Set 3.1: A 77 GLN : amide:sc= -5.87! C(o=-6.1!,f=-5.7!) USER MOD Set 3.2: A 80 THR OG1 : rot -5:sc= -0.223 USER MOD Set 4.1: A 31 TYR OH : rot 90:sc= -3.22! USER MOD Set 4.2: A 36 ASN : amide:sc= -3! C(o=-6.2!,f=-6.1!) USER MOD Set 5.1: A 17 THR OG1 : rot 170:sc= 0 USER MOD Set 5.2: A 101 MET CE :methyl 131:sc= -0.0154 (180deg=-0.164) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 22:sc= 0.552 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -1.24 K(o=-1.2,f=-4.4!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.098 USER MOD Single : A 26 MET CE :methyl 151:sc= -1.25 (180deg=-2.1) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 MET CE :methyl -120:sc= 0 (180deg=-1.56) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 38 ASN : amide:sc= -0.664 X(o=-0.66,f=-1.1) USER MOD Single : A 42 HIS : no HD1:sc= -1.1 K(o=-1.1,f=-0.23) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= -0.403 USER MOD Single : A 48 TYR OH : rot -141:sc= 1.31 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot -80:sc= -1.61 USER MOD Single : A 55 ASN : amide:sc= -0.777 X(o=-0.78,f=-1.2) USER MOD Single : A 57 SER OG : rot -37:sc=0.000399 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -116:sc= 0.108 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl -132:sc= 0 (180deg=-0.14) USER MOD Single : A 69 TYR OH : rot 120:sc= -2.07 USER MOD Single : A 71 HIS : no HD1:sc= -0.697 X(o=-0.7,f=-0.58) USER MOD Single : A 72 SER OG : rot 38:sc= 0.601 USER MOD Single : A 74 SER OG : rot 180:sc= -0.0103 USER MOD Single : A 75 HIS : no HD1:sc= -0.166 X(o=-0.17,f=-0.02) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 172:sc= -7.12! USER MOD Single : A 85 LYS NZ :NH3+ 153:sc= 0.404 (180deg=-0.192) USER MOD Single : A 86 MET CE :methyl -140:sc= -1.25 (180deg=-5.34!) USER MOD Single : A 87 GLN : amide:sc= -3.6! C(o=-3.6!,f=-3.3!) USER MOD Single : A 98 SER OG : rot 150:sc= 0.8 USER MOD Single : A 99 ASN : amide:sc= 0.393 K(o=0.39,f=-7.7!) USER MOD Single : A 103 CYS SG : rot 170:sc= 0 USER MOD Single : A 105 THR OG1 : rot 174:sc= 2.22 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 180:sc= -0.0414 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 19.054 16.191 -23.647 1.00 0.00 N ATOM 2 CA GLY A 1 19.243 16.385 -22.221 1.00 0.00 C ATOM 3 C GLY A 1 18.820 15.176 -21.411 1.00 0.00 C ATOM 4 O GLY A 1 17.657 14.773 -21.444 1.00 0.00 O ATOM 0 H1 GLY A 1 19.358 17.045 -24.157 1.00 0.00 H new ATOM 0 H2 GLY A 1 19.620 15.378 -23.965 1.00 0.00 H new ATOM 0 H3 GLY A 1 18.049 16.010 -23.843 1.00 0.00 H new ATOM 0 HA2 GLY A 1 20.293 16.602 -22.023 1.00 0.00 H new ATOM 0 HA3 GLY A 1 18.671 17.254 -21.897 1.00 0.00 H new ATOM 8 N SER A 2 19.766 14.593 -20.681 1.00 0.00 N ATOM 9 CA SER A 2 19.487 13.419 -19.863 1.00 0.00 C ATOM 10 C SER A 2 19.638 13.742 -18.380 1.00 0.00 C ATOM 11 O SER A 2 20.462 14.571 -17.995 1.00 0.00 O ATOM 12 CB SER A 2 20.423 12.271 -20.245 1.00 0.00 C ATOM 13 OG SER A 2 19.859 11.017 -19.898 1.00 0.00 O ATOM 0 H SER A 2 20.733 14.915 -20.640 1.00 0.00 H new ATOM 0 HA SER A 2 18.457 13.115 -20.047 1.00 0.00 H new ATOM 0 HB2 SER A 2 20.621 12.300 -21.316 1.00 0.00 H new ATOM 0 HB3 SER A 2 21.381 12.395 -19.740 1.00 0.00 H new ATOM 0 HG SER A 2 20.475 10.299 -20.154 1.00 0.00 H new ATOM 19 N SER A 3 18.836 13.080 -17.551 1.00 0.00 N ATOM 20 CA SER A 3 18.877 13.299 -16.110 1.00 0.00 C ATOM 21 C SER A 3 18.265 14.648 -15.748 1.00 0.00 C ATOM 22 O SER A 3 18.775 15.363 -14.886 1.00 0.00 O ATOM 23 CB SER A 3 20.319 13.228 -15.603 1.00 0.00 C ATOM 24 OG SER A 3 20.362 12.845 -14.239 1.00 0.00 O ATOM 0 H SER A 3 18.150 12.388 -17.853 1.00 0.00 H new ATOM 0 HA SER A 3 18.292 12.514 -15.631 1.00 0.00 H new ATOM 0 HB2 SER A 3 20.884 12.514 -16.202 1.00 0.00 H new ATOM 0 HB3 SER A 3 20.799 14.199 -15.727 1.00 0.00 H new ATOM 0 HG SER A 3 21.294 12.805 -13.940 1.00 0.00 H new ATOM 30 N GLY A 4 17.165 14.990 -16.413 1.00 0.00 N ATOM 31 CA GLY A 4 16.500 16.252 -16.147 1.00 0.00 C ATOM 32 C GLY A 4 15.707 16.229 -14.856 1.00 0.00 C ATOM 33 O GLY A 4 16.219 16.595 -13.798 1.00 0.00 O ATOM 0 H GLY A 4 16.723 14.416 -17.131 1.00 0.00 H new ATOM 0 HA2 GLY A 4 17.243 17.048 -16.099 1.00 0.00 H new ATOM 0 HA3 GLY A 4 15.833 16.489 -16.975 1.00 0.00 H new ATOM 37 N SER A 5 14.452 15.800 -14.941 1.00 0.00 N ATOM 38 CA SER A 5 13.584 15.736 -13.771 1.00 0.00 C ATOM 39 C SER A 5 13.956 14.553 -12.883 1.00 0.00 C ATOM 40 O SER A 5 14.234 13.458 -13.372 1.00 0.00 O ATOM 41 CB SER A 5 12.120 15.626 -14.201 1.00 0.00 C ATOM 42 OG SER A 5 11.859 14.370 -14.804 1.00 0.00 O ATOM 0 H SER A 5 14.013 15.491 -15.809 1.00 0.00 H new ATOM 0 HA SER A 5 13.719 16.654 -13.199 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.472 15.759 -13.335 1.00 0.00 H new ATOM 0 HB3 SER A 5 11.882 16.426 -14.902 1.00 0.00 H new ATOM 0 HG SER A 5 10.916 14.324 -15.068 1.00 0.00 H new ATOM 48 N SER A 6 13.959 14.782 -11.573 1.00 0.00 N ATOM 49 CA SER A 6 14.300 13.737 -10.615 1.00 0.00 C ATOM 50 C SER A 6 13.527 13.920 -9.313 1.00 0.00 C ATOM 51 O SER A 6 13.676 14.930 -8.626 1.00 0.00 O ATOM 52 CB SER A 6 15.804 13.744 -10.334 1.00 0.00 C ATOM 53 OG SER A 6 16.202 14.958 -9.721 1.00 0.00 O ATOM 0 H SER A 6 13.729 15.682 -11.151 1.00 0.00 H new ATOM 0 HA SER A 6 14.023 12.776 -11.049 1.00 0.00 H new ATOM 0 HB2 SER A 6 16.060 12.905 -9.687 1.00 0.00 H new ATOM 0 HB3 SER A 6 16.352 13.607 -11.266 1.00 0.00 H new ATOM 0 HG SER A 6 15.427 15.378 -9.293 1.00 0.00 H new ATOM 59 N GLY A 7 12.699 12.934 -8.980 1.00 0.00 N ATOM 60 CA GLY A 7 11.914 13.005 -7.761 1.00 0.00 C ATOM 61 C GLY A 7 12.362 11.996 -6.723 1.00 0.00 C ATOM 62 O GLY A 7 13.494 11.512 -6.745 1.00 0.00 O ATOM 0 H GLY A 7 12.558 12.088 -9.532 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.988 14.009 -7.343 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.864 12.835 -7.998 1.00 0.00 H new ATOM 66 N PRO A 8 11.462 11.664 -5.786 1.00 0.00 N ATOM 67 CA PRO A 8 11.749 10.704 -4.716 1.00 0.00 C ATOM 68 C PRO A 8 11.876 9.277 -5.238 1.00 0.00 C ATOM 69 O PRO A 8 11.093 8.841 -6.081 1.00 0.00 O ATOM 70 CB PRO A 8 10.535 10.829 -3.792 1.00 0.00 C ATOM 71 CG PRO A 8 9.438 11.320 -4.672 1.00 0.00 C ATOM 72 CD PRO A 8 10.093 12.202 -5.699 1.00 0.00 C ATOM 0 HA PRO A 8 12.699 10.913 -4.224 1.00 0.00 H new ATOM 0 HB2 PRO A 8 10.281 9.870 -3.340 1.00 0.00 H new ATOM 0 HB3 PRO A 8 10.729 11.525 -2.976 1.00 0.00 H new ATOM 0 HG2 PRO A 8 8.917 10.489 -5.147 1.00 0.00 H new ATOM 0 HG3 PRO A 8 8.696 11.875 -4.098 1.00 0.00 H new ATOM 0 HD2 PRO A 8 9.579 12.151 -6.659 1.00 0.00 H new ATOM 0 HD3 PRO A 8 10.091 13.248 -5.391 1.00 0.00 H new ATOM 80 N VAL A 9 12.869 8.553 -4.730 1.00 0.00 N ATOM 81 CA VAL A 9 13.098 7.174 -5.143 1.00 0.00 C ATOM 82 C VAL A 9 13.084 6.231 -3.945 1.00 0.00 C ATOM 83 O VAL A 9 12.507 5.146 -4.003 1.00 0.00 O ATOM 84 CB VAL A 9 14.441 7.025 -5.883 1.00 0.00 C ATOM 85 CG1 VAL A 9 14.418 7.801 -7.192 1.00 0.00 C ATOM 86 CG2 VAL A 9 15.590 7.488 -5.000 1.00 0.00 C ATOM 0 H VAL A 9 13.527 8.899 -4.032 1.00 0.00 H new ATOM 0 HA VAL A 9 12.286 6.908 -5.820 1.00 0.00 H new ATOM 0 HB VAL A 9 14.593 5.971 -6.115 1.00 0.00 H new ATOM 0 HG11 VAL A 9 15.375 7.684 -7.701 1.00 0.00 H new ATOM 0 HG12 VAL A 9 13.620 7.418 -7.828 1.00 0.00 H new ATOM 0 HG13 VAL A 9 14.243 8.857 -6.986 1.00 0.00 H new ATOM 0 HG21 VAL A 9 16.531 7.376 -5.539 1.00 0.00 H new ATOM 0 HG22 VAL A 9 15.446 8.536 -4.735 1.00 0.00 H new ATOM 0 HG23 VAL A 9 15.617 6.885 -4.092 1.00 0.00 H new ATOM 96 N ALA A 10 13.724 6.654 -2.859 1.00 0.00 N ATOM 97 CA ALA A 10 13.783 5.849 -1.645 1.00 0.00 C ATOM 98 C ALA A 10 12.475 5.098 -1.421 1.00 0.00 C ATOM 99 O ALA A 10 12.470 3.980 -0.907 1.00 0.00 O ATOM 100 CB ALA A 10 14.102 6.727 -0.445 1.00 0.00 C ATOM 0 H ALA A 10 14.209 7.549 -2.795 1.00 0.00 H new ATOM 0 HA ALA A 10 14.578 5.113 -1.764 1.00 0.00 H new ATOM 0 HB1 ALA A 10 14.143 6.113 0.455 1.00 0.00 H new ATOM 0 HB2 ALA A 10 15.065 7.214 -0.596 1.00 0.00 H new ATOM 0 HB3 ALA A 10 13.327 7.485 -0.332 1.00 0.00 H new ATOM 106 N GLY A 11 11.366 5.720 -1.809 1.00 0.00 N ATOM 107 CA GLY A 11 10.067 5.095 -1.641 1.00 0.00 C ATOM 108 C GLY A 11 9.774 4.746 -0.195 1.00 0.00 C ATOM 109 O GLY A 11 10.680 4.511 0.605 1.00 0.00 O ATOM 0 H GLY A 11 11.344 6.646 -2.237 1.00 0.00 H new ATOM 0 HA2 GLY A 11 9.293 5.766 -2.013 1.00 0.00 H new ATOM 0 HA3 GLY A 11 10.022 4.190 -2.246 1.00 0.00 H new ATOM 113 N PRO A 12 8.481 4.709 0.159 1.00 0.00 N ATOM 114 CA PRO A 12 8.041 4.389 1.520 1.00 0.00 C ATOM 115 C PRO A 12 8.282 2.926 1.877 1.00 0.00 C ATOM 116 O PRO A 12 8.485 2.087 0.998 1.00 0.00 O ATOM 117 CB PRO A 12 6.541 4.692 1.489 1.00 0.00 C ATOM 118 CG PRO A 12 6.153 4.540 0.059 1.00 0.00 C ATOM 119 CD PRO A 12 7.348 4.978 -0.743 1.00 0.00 C ATOM 0 HA PRO A 12 8.589 4.959 2.270 1.00 0.00 H new ATOM 0 HB2 PRO A 12 5.985 4.004 2.125 1.00 0.00 H new ATOM 0 HB3 PRO A 12 6.333 5.699 1.851 1.00 0.00 H new ATOM 0 HG2 PRO A 12 5.889 3.507 -0.166 1.00 0.00 H new ATOM 0 HG3 PRO A 12 5.281 5.150 -0.176 1.00 0.00 H new ATOM 0 HD2 PRO A 12 7.434 4.418 -1.674 1.00 0.00 H new ATOM 0 HD3 PRO A 12 7.288 6.033 -1.010 1.00 0.00 H new ATOM 127 N TYR A 13 8.256 2.626 3.171 1.00 0.00 N ATOM 128 CA TYR A 13 8.473 1.264 3.644 1.00 0.00 C ATOM 129 C TYR A 13 7.360 0.833 4.594 1.00 0.00 C ATOM 130 O TYR A 13 7.115 1.479 5.613 1.00 0.00 O ATOM 131 CB TYR A 13 9.828 1.155 4.345 1.00 0.00 C ATOM 132 CG TYR A 13 10.016 -0.140 5.103 1.00 0.00 C ATOM 133 CD1 TYR A 13 10.022 -1.361 4.439 1.00 0.00 C ATOM 134 CD2 TYR A 13 10.185 -0.143 6.481 1.00 0.00 C ATOM 135 CE1 TYR A 13 10.192 -2.547 5.127 1.00 0.00 C ATOM 136 CE2 TYR A 13 10.358 -1.324 7.177 1.00 0.00 C ATOM 137 CZ TYR A 13 10.360 -2.523 6.496 1.00 0.00 C ATOM 138 OH TYR A 13 10.530 -3.701 7.186 1.00 0.00 O ATOM 0 H TYR A 13 8.087 3.308 3.911 1.00 0.00 H new ATOM 0 HA TYR A 13 8.464 0.601 2.779 1.00 0.00 H new ATOM 0 HB2 TYR A 13 10.620 1.250 3.602 1.00 0.00 H new ATOM 0 HB3 TYR A 13 9.938 1.990 5.037 1.00 0.00 H new ATOM 0 HD1 TYR A 13 9.892 -1.383 3.367 1.00 0.00 H new ATOM 0 HD2 TYR A 13 10.181 0.794 7.018 1.00 0.00 H new ATOM 0 HE1 TYR A 13 10.193 -3.487 4.596 1.00 0.00 H new ATOM 0 HE2 TYR A 13 10.491 -1.308 8.249 1.00 0.00 H new ATOM 0 HH TYR A 13 10.636 -3.508 8.141 1.00 0.00 H new ATOM 148 N ILE A 14 6.690 -0.262 4.253 1.00 0.00 N ATOM 149 CA ILE A 14 5.605 -0.781 5.076 1.00 0.00 C ATOM 150 C ILE A 14 6.142 -1.459 6.331 1.00 0.00 C ATOM 151 O ILE A 14 6.931 -2.402 6.253 1.00 0.00 O ATOM 152 CB ILE A 14 4.737 -1.786 4.295 1.00 0.00 C ATOM 153 CG1 ILE A 14 4.285 -1.178 2.965 1.00 0.00 C ATOM 154 CG2 ILE A 14 3.535 -2.206 5.127 1.00 0.00 C ATOM 155 CD1 ILE A 14 3.977 -2.210 1.903 1.00 0.00 C ATOM 0 H ILE A 14 6.879 -0.807 3.412 1.00 0.00 H new ATOM 0 HA ILE A 14 4.991 0.073 5.362 1.00 0.00 H new ATOM 0 HB ILE A 14 5.335 -2.672 4.083 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.398 -0.569 3.136 1.00 0.00 H new ATOM 0 HG13 ILE A 14 5.064 -0.510 2.597 1.00 0.00 H new ATOM 0 HG21 ILE A 14 2.931 -2.916 4.562 1.00 0.00 H new ATOM 0 HG22 ILE A 14 3.877 -2.674 6.050 1.00 0.00 H new ATOM 0 HG23 ILE A 14 2.934 -1.329 5.367 1.00 0.00 H new ATOM 0 HD11 ILE A 14 3.663 -1.708 0.988 1.00 0.00 H new ATOM 0 HD12 ILE A 14 4.869 -2.804 1.703 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.177 -2.863 2.251 1.00 0.00 H new ATOM 167 N THR A 15 5.709 -0.974 7.491 1.00 0.00 N ATOM 168 CA THR A 15 6.146 -1.532 8.764 1.00 0.00 C ATOM 169 C THR A 15 4.955 -1.962 9.613 1.00 0.00 C ATOM 170 O THR A 15 5.108 -2.313 10.783 1.00 0.00 O ATOM 171 CB THR A 15 6.991 -0.521 9.561 1.00 0.00 C ATOM 172 OG1 THR A 15 6.142 0.466 10.157 1.00 0.00 O ATOM 173 CG2 THR A 15 8.012 0.158 8.661 1.00 0.00 C ATOM 0 H THR A 15 5.056 -0.195 7.574 1.00 0.00 H new ATOM 0 HA THR A 15 6.759 -2.403 8.533 1.00 0.00 H new ATOM 0 HB THR A 15 7.522 -1.062 10.344 1.00 0.00 H new ATOM 0 HG1 THR A 15 6.687 1.104 10.663 1.00 0.00 H new ATOM 0 HG21 THR A 15 8.597 0.868 9.246 1.00 0.00 H new ATOM 0 HG22 THR A 15 8.675 -0.593 8.232 1.00 0.00 H new ATOM 0 HG23 THR A 15 7.496 0.687 7.859 1.00 0.00 H new ATOM 181 N PHE A 16 3.767 -1.932 9.017 1.00 0.00 N ATOM 182 CA PHE A 16 2.549 -2.319 9.719 1.00 0.00 C ATOM 183 C PHE A 16 1.508 -2.860 8.744 1.00 0.00 C ATOM 184 O PHE A 16 1.068 -2.158 7.833 1.00 0.00 O ATOM 185 CB PHE A 16 1.976 -1.124 10.485 1.00 0.00 C ATOM 186 CG PHE A 16 1.096 -1.517 11.637 1.00 0.00 C ATOM 187 CD1 PHE A 16 -0.238 -1.831 11.431 1.00 0.00 C ATOM 188 CD2 PHE A 16 1.602 -1.573 12.925 1.00 0.00 C ATOM 189 CE1 PHE A 16 -1.050 -2.192 12.489 1.00 0.00 C ATOM 190 CE2 PHE A 16 0.794 -1.933 13.987 1.00 0.00 C ATOM 191 CZ PHE A 16 -0.533 -2.245 13.769 1.00 0.00 C ATOM 0 H PHE A 16 3.622 -1.644 8.049 1.00 0.00 H new ATOM 0 HA PHE A 16 2.802 -3.108 10.427 1.00 0.00 H new ATOM 0 HB2 PHE A 16 2.798 -0.514 10.858 1.00 0.00 H new ATOM 0 HB3 PHE A 16 1.404 -0.502 9.797 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -0.647 -1.793 10.432 1.00 0.00 H new ATOM 0 HD2 PHE A 16 2.640 -1.333 13.102 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -2.088 -2.433 12.315 1.00 0.00 H new ATOM 0 HE2 PHE A 16 1.201 -1.970 14.987 1.00 0.00 H new ATOM 0 HZ PHE A 16 -1.165 -2.530 14.597 1.00 0.00 H new ATOM 201 N THR A 17 1.117 -4.115 8.942 1.00 0.00 N ATOM 202 CA THR A 17 0.129 -4.753 8.081 1.00 0.00 C ATOM 203 C THR A 17 -0.851 -5.591 8.894 1.00 0.00 C ATOM 204 O THR A 17 -0.478 -6.612 9.471 1.00 0.00 O ATOM 205 CB THR A 17 0.800 -5.650 7.024 1.00 0.00 C ATOM 206 OG1 THR A 17 2.005 -6.214 7.554 1.00 0.00 O ATOM 207 CG2 THR A 17 1.117 -4.859 5.764 1.00 0.00 C ATOM 0 H THR A 17 1.470 -4.710 9.692 1.00 0.00 H new ATOM 0 HA THR A 17 -0.413 -3.953 7.577 1.00 0.00 H new ATOM 0 HB THR A 17 0.106 -6.450 6.766 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.340 -6.904 6.943 1.00 0.00 H new ATOM 0 HG21 THR A 17 1.590 -5.514 5.033 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.195 -4.455 5.346 1.00 0.00 H new ATOM 0 HG23 THR A 17 1.793 -4.040 6.009 1.00 0.00 H new ATOM 215 N ASP A 18 -2.104 -5.153 8.935 1.00 0.00 N ATOM 216 CA ASP A 18 -3.139 -5.864 9.677 1.00 0.00 C ATOM 217 C ASP A 18 -4.471 -5.812 8.936 1.00 0.00 C ATOM 218 O ASP A 18 -4.751 -4.861 8.207 1.00 0.00 O ATOM 219 CB ASP A 18 -3.295 -5.267 11.076 1.00 0.00 C ATOM 220 CG ASP A 18 -3.834 -6.270 12.077 1.00 0.00 C ATOM 221 OD1 ASP A 18 -5.072 -6.399 12.180 1.00 0.00 O ATOM 222 OD2 ASP A 18 -3.018 -6.927 12.757 1.00 0.00 O ATOM 0 H ASP A 18 -2.428 -4.309 8.463 1.00 0.00 H new ATOM 0 HA ASP A 18 -2.835 -6.907 9.768 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -2.329 -4.898 11.420 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -3.965 -4.409 11.029 1.00 0.00 H new ATOM 227 N ALA A 19 -5.290 -6.842 9.128 1.00 0.00 N ATOM 228 CA ALA A 19 -6.593 -6.913 8.480 1.00 0.00 C ATOM 229 C ALA A 19 -7.677 -6.294 9.356 1.00 0.00 C ATOM 230 O ALA A 19 -7.998 -6.814 10.424 1.00 0.00 O ATOM 231 CB ALA A 19 -6.940 -8.357 8.149 1.00 0.00 C ATOM 0 H ALA A 19 -5.073 -7.638 9.727 1.00 0.00 H new ATOM 0 HA ALA A 19 -6.541 -6.341 7.553 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.916 -8.395 7.665 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.186 -8.768 7.477 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.967 -8.944 9.067 1.00 0.00 H new ATOM 237 N VAL A 20 -8.237 -5.179 8.897 1.00 0.00 N ATOM 238 CA VAL A 20 -9.285 -4.488 9.639 1.00 0.00 C ATOM 239 C VAL A 20 -10.609 -5.237 9.544 1.00 0.00 C ATOM 240 O VAL A 20 -11.442 -5.163 10.447 1.00 0.00 O ATOM 241 CB VAL A 20 -9.483 -3.050 9.124 1.00 0.00 C ATOM 242 CG1 VAL A 20 -10.415 -2.277 10.044 1.00 0.00 C ATOM 243 CG2 VAL A 20 -8.142 -2.343 8.992 1.00 0.00 C ATOM 0 H VAL A 20 -7.982 -4.735 8.015 1.00 0.00 H new ATOM 0 HA VAL A 20 -8.965 -4.452 10.680 1.00 0.00 H new ATOM 0 HB VAL A 20 -9.943 -3.096 8.137 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -10.543 -1.263 9.664 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -11.384 -2.775 10.082 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -9.987 -2.238 11.046 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -8.300 -1.328 8.627 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.653 -2.306 9.965 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -7.511 -2.887 8.289 1.00 0.00 H new ATOM 253 N ASN A 21 -10.797 -5.959 8.444 1.00 0.00 N ATOM 254 CA ASN A 21 -12.022 -6.722 8.231 1.00 0.00 C ATOM 255 C ASN A 21 -11.804 -7.822 7.196 1.00 0.00 C ATOM 256 O ASN A 21 -10.697 -7.998 6.688 1.00 0.00 O ATOM 257 CB ASN A 21 -13.152 -5.796 7.778 1.00 0.00 C ATOM 258 CG ASN A 21 -13.943 -5.237 8.945 1.00 0.00 C ATOM 259 OD1 ASN A 21 -13.860 -5.741 10.065 1.00 0.00 O ATOM 260 ND2 ASN A 21 -14.717 -4.188 8.686 1.00 0.00 N ATOM 0 H ASN A 21 -10.117 -6.032 7.687 1.00 0.00 H new ATOM 0 HA ASN A 21 -12.300 -7.187 9.177 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -12.734 -4.973 7.198 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -13.823 -6.343 7.116 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -15.273 -3.768 9.431 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -14.755 -3.803 7.742 1.00 0.00 H new ATOM 267 N GLU A 22 -12.868 -8.557 6.888 1.00 0.00 N ATOM 268 CA GLU A 22 -12.793 -9.639 5.914 1.00 0.00 C ATOM 269 C GLU A 22 -12.540 -9.092 4.512 1.00 0.00 C ATOM 270 O GLU A 22 -11.981 -9.778 3.656 1.00 0.00 O ATOM 271 CB GLU A 22 -14.084 -10.459 5.928 1.00 0.00 C ATOM 272 CG GLU A 22 -15.296 -9.695 5.420 1.00 0.00 C ATOM 273 CD GLU A 22 -16.593 -10.180 6.039 1.00 0.00 C ATOM 274 OE1 GLU A 22 -16.568 -10.599 7.215 1.00 0.00 O ATOM 275 OE2 GLU A 22 -17.631 -10.142 5.347 1.00 0.00 O ATOM 0 H GLU A 22 -13.792 -8.423 7.299 1.00 0.00 H new ATOM 0 HA GLU A 22 -11.959 -10.284 6.190 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -13.945 -11.351 5.317 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -14.279 -10.797 6.946 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -15.169 -8.634 5.636 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -15.355 -9.795 4.336 1.00 0.00 H new ATOM 282 N THR A 23 -12.958 -7.850 4.283 1.00 0.00 N ATOM 283 CA THR A 23 -12.780 -7.210 2.986 1.00 0.00 C ATOM 284 C THR A 23 -12.029 -5.891 3.122 1.00 0.00 C ATOM 285 O THR A 23 -12.046 -5.057 2.216 1.00 0.00 O ATOM 286 CB THR A 23 -14.133 -6.950 2.297 1.00 0.00 C ATOM 287 OG1 THR A 23 -15.003 -6.235 3.182 1.00 0.00 O ATOM 288 CG2 THR A 23 -14.788 -8.258 1.880 1.00 0.00 C ATOM 0 H THR A 23 -13.422 -7.268 4.980 1.00 0.00 H new ATOM 0 HA THR A 23 -12.195 -7.896 2.373 1.00 0.00 H new ATOM 0 HB THR A 23 -13.953 -6.352 1.404 1.00 0.00 H new ATOM 0 HG1 THR A 23 -15.861 -6.072 2.737 1.00 0.00 H new ATOM 0 HG21 THR A 23 -15.742 -8.049 1.396 1.00 0.00 H new ATOM 0 HG22 THR A 23 -14.136 -8.786 1.184 1.00 0.00 H new ATOM 0 HG23 THR A 23 -14.956 -8.878 2.761 1.00 0.00 H new ATOM 296 N THR A 24 -11.369 -5.705 4.262 1.00 0.00 N ATOM 297 CA THR A 24 -10.613 -4.486 4.517 1.00 0.00 C ATOM 298 C THR A 24 -9.276 -4.797 5.179 1.00 0.00 C ATOM 299 O THR A 24 -9.165 -5.741 5.961 1.00 0.00 O ATOM 300 CB THR A 24 -11.402 -3.512 5.412 1.00 0.00 C ATOM 301 OG1 THR A 24 -12.804 -3.623 5.140 1.00 0.00 O ATOM 302 CG2 THR A 24 -10.948 -2.078 5.184 1.00 0.00 C ATOM 0 H THR A 24 -11.343 -6.384 5.023 1.00 0.00 H new ATOM 0 HA THR A 24 -10.436 -4.016 3.550 1.00 0.00 H new ATOM 0 HB THR A 24 -11.212 -3.775 6.453 1.00 0.00 H new ATOM 0 HG1 THR A 24 -13.299 -3.002 5.714 1.00 0.00 H new ATOM 0 HG21 THR A 24 -11.520 -1.409 5.827 1.00 0.00 H new ATOM 0 HG22 THR A 24 -9.888 -1.990 5.420 1.00 0.00 H new ATOM 0 HG23 THR A 24 -11.111 -1.806 4.141 1.00 0.00 H new ATOM 310 N ILE A 25 -8.263 -3.997 4.862 1.00 0.00 N ATOM 311 CA ILE A 25 -6.934 -4.187 5.428 1.00 0.00 C ATOM 312 C ILE A 25 -6.255 -2.849 5.699 1.00 0.00 C ATOM 313 O ILE A 25 -6.216 -1.975 4.833 1.00 0.00 O ATOM 314 CB ILE A 25 -6.039 -5.024 4.495 1.00 0.00 C ATOM 315 CG1 ILE A 25 -6.453 -6.496 4.541 1.00 0.00 C ATOM 316 CG2 ILE A 25 -4.576 -4.867 4.884 1.00 0.00 C ATOM 317 CD1 ILE A 25 -5.550 -7.403 3.735 1.00 0.00 C ATOM 0 H ILE A 25 -8.338 -3.211 4.216 1.00 0.00 H new ATOM 0 HA ILE A 25 -7.066 -4.722 6.368 1.00 0.00 H new ATOM 0 HB ILE A 25 -6.164 -4.663 3.474 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -6.459 -6.831 5.578 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -7.474 -6.590 4.170 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -3.956 -5.464 4.216 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -4.289 -3.818 4.805 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -4.434 -5.206 5.910 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -5.903 -8.431 3.813 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -5.563 -7.094 2.690 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -4.532 -7.339 4.120 1.00 0.00 H new ATOM 329 N MET A 26 -5.721 -2.696 6.906 1.00 0.00 N ATOM 330 CA MET A 26 -5.041 -1.464 7.290 1.00 0.00 C ATOM 331 C MET A 26 -3.527 -1.653 7.278 1.00 0.00 C ATOM 332 O MET A 26 -3.008 -2.628 7.825 1.00 0.00 O ATOM 333 CB MET A 26 -5.499 -1.014 8.678 1.00 0.00 C ATOM 334 CG MET A 26 -4.510 -0.097 9.378 1.00 0.00 C ATOM 335 SD MET A 26 -5.300 0.988 10.582 1.00 0.00 S ATOM 336 CE MET A 26 -4.922 2.596 9.887 1.00 0.00 C ATOM 0 H MET A 26 -5.746 -3.409 7.635 1.00 0.00 H new ATOM 0 HA MET A 26 -5.300 -0.694 6.563 1.00 0.00 H new ATOM 0 HB2 MET A 26 -6.456 -0.500 8.587 1.00 0.00 H new ATOM 0 HB3 MET A 26 -5.668 -1.894 9.299 1.00 0.00 H new ATOM 0 HG2 MET A 26 -3.754 -0.700 9.880 1.00 0.00 H new ATOM 0 HG3 MET A 26 -3.993 0.508 8.634 1.00 0.00 H new ATOM 0 HE1 MET A 26 -5.705 3.304 10.160 1.00 0.00 H new ATOM 0 HE2 MET A 26 -3.966 2.945 10.276 1.00 0.00 H new ATOM 0 HE3 MET A 26 -4.865 2.519 8.801 1.00 0.00 H new ATOM 346 N LEU A 27 -2.823 -0.716 6.653 1.00 0.00 N ATOM 347 CA LEU A 27 -1.368 -0.779 6.570 1.00 0.00 C ATOM 348 C LEU A 27 -0.750 0.599 6.786 1.00 0.00 C ATOM 349 O LEU A 27 -1.326 1.617 6.402 1.00 0.00 O ATOM 350 CB LEU A 27 -0.939 -1.336 5.212 1.00 0.00 C ATOM 351 CG LEU A 27 -0.894 -0.333 4.059 1.00 0.00 C ATOM 352 CD1 LEU A 27 0.119 -0.769 3.011 1.00 0.00 C ATOM 353 CD2 LEU A 27 -2.274 -0.175 3.436 1.00 0.00 C ATOM 0 H LEU A 27 -3.236 0.097 6.196 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.012 -1.444 7.357 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.051 -1.780 5.320 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -1.621 -2.141 4.940 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.583 0.634 4.455 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.137 -0.043 2.198 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.108 -0.831 3.465 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.161 -1.746 2.618 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.223 0.543 2.617 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -2.613 -1.138 3.054 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.975 0.184 4.190 1.00 0.00 H new ATOM 365 N LYS A 28 0.427 0.623 7.401 1.00 0.00 N ATOM 366 CA LYS A 28 1.127 1.875 7.665 1.00 0.00 C ATOM 367 C LYS A 28 2.540 1.840 7.092 1.00 0.00 C ATOM 368 O LYS A 28 3.231 0.824 7.181 1.00 0.00 O ATOM 369 CB LYS A 28 1.182 2.144 9.170 1.00 0.00 C ATOM 370 CG LYS A 28 -0.166 2.027 9.859 1.00 0.00 C ATOM 371 CD LYS A 28 -0.011 1.776 11.350 1.00 0.00 C ATOM 372 CE LYS A 28 -1.361 1.603 12.029 1.00 0.00 C ATOM 373 NZ LYS A 28 -1.268 1.793 13.503 1.00 0.00 N ATOM 0 H LYS A 28 0.917 -0.210 7.726 1.00 0.00 H new ATOM 0 HA LYS A 28 0.577 2.680 7.178 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.878 1.443 9.631 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.580 3.145 9.337 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.737 2.942 9.701 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.736 1.214 9.410 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.594 0.884 11.509 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.523 2.609 11.807 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.071 2.319 11.614 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -1.751 0.608 11.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -2.208 1.667 13.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -0.610 1.093 13.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.920 2.751 13.708 1.00 0.00 H new ATOM 387 N TRP A 29 2.964 2.954 6.506 1.00 0.00 N ATOM 388 CA TRP A 29 4.296 3.050 5.920 1.00 0.00 C ATOM 389 C TRP A 29 5.115 4.139 6.605 1.00 0.00 C ATOM 390 O TRP A 29 4.560 5.061 7.203 1.00 0.00 O ATOM 391 CB TRP A 29 4.197 3.335 4.421 1.00 0.00 C ATOM 392 CG TRP A 29 3.317 4.504 4.096 1.00 0.00 C ATOM 393 CD1 TRP A 29 3.671 5.823 4.103 1.00 0.00 C ATOM 394 CD2 TRP A 29 1.937 4.459 3.718 1.00 0.00 C ATOM 395 NE1 TRP A 29 2.594 6.601 3.752 1.00 0.00 N ATOM 396 CE2 TRP A 29 1.518 5.788 3.510 1.00 0.00 C ATOM 397 CE3 TRP A 29 1.015 3.426 3.532 1.00 0.00 C ATOM 398 CZ2 TRP A 29 0.218 6.107 3.128 1.00 0.00 C ATOM 399 CZ3 TRP A 29 -0.275 3.744 3.153 1.00 0.00 C ATOM 400 CH2 TRP A 29 -0.664 5.076 2.953 1.00 0.00 C ATOM 0 H TRP A 29 2.405 3.803 6.424 1.00 0.00 H new ATOM 0 HA TRP A 29 4.801 2.095 6.068 1.00 0.00 H new ATOM 0 HB2 TRP A 29 5.196 3.521 4.027 1.00 0.00 H new ATOM 0 HB3 TRP A 29 3.814 2.449 3.914 1.00 0.00 H new ATOM 0 HD1 TRP A 29 4.653 6.199 4.348 1.00 0.00 H new ATOM 0 HE1 TRP A 29 2.595 7.619 3.683 1.00 0.00 H new ATOM 0 HE3 TRP A 29 1.306 2.397 3.682 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -0.084 7.133 2.975 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -0.996 2.953 3.008 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -1.679 5.292 2.655 1.00 0.00 H new ATOM 411 N MET A 30 6.436 4.027 6.513 1.00 0.00 N ATOM 412 CA MET A 30 7.330 5.004 7.122 1.00 0.00 C ATOM 413 C MET A 30 8.118 5.759 6.057 1.00 0.00 C ATOM 414 O MET A 30 8.186 5.333 4.904 1.00 0.00 O ATOM 415 CB MET A 30 8.291 4.313 8.091 1.00 0.00 C ATOM 416 CG MET A 30 9.396 3.533 7.398 1.00 0.00 C ATOM 417 SD MET A 30 10.596 2.849 8.557 1.00 0.00 S ATOM 418 CE MET A 30 11.565 4.307 8.940 1.00 0.00 C ATOM 0 H MET A 30 6.911 3.269 6.022 1.00 0.00 H new ATOM 0 HA MET A 30 6.722 5.721 7.674 1.00 0.00 H new ATOM 0 HB2 MET A 30 8.740 5.064 8.741 1.00 0.00 H new ATOM 0 HB3 MET A 30 7.725 3.635 8.730 1.00 0.00 H new ATOM 0 HG2 MET A 30 8.954 2.723 6.818 1.00 0.00 H new ATOM 0 HG3 MET A 30 9.910 4.187 6.693 1.00 0.00 H new ATOM 0 HE1 MET A 30 12.604 4.138 8.656 1.00 0.00 H new ATOM 0 HE2 MET A 30 11.172 5.161 8.388 1.00 0.00 H new ATOM 0 HE3 MET A 30 11.509 4.510 10.009 1.00 0.00 H new ATOM 428 N TYR A 31 8.712 6.880 6.450 1.00 0.00 N ATOM 429 CA TYR A 31 9.493 7.695 5.528 1.00 0.00 C ATOM 430 C TYR A 31 10.855 8.039 6.124 1.00 0.00 C ATOM 431 O TYR A 31 10.950 8.471 7.273 1.00 0.00 O ATOM 432 CB TYR A 31 8.737 8.979 5.182 1.00 0.00 C ATOM 433 CG TYR A 31 9.341 9.746 4.027 1.00 0.00 C ATOM 434 CD1 TYR A 31 9.001 9.445 2.714 1.00 0.00 C ATOM 435 CD2 TYR A 31 10.253 10.770 4.249 1.00 0.00 C ATOM 436 CE1 TYR A 31 9.551 10.142 1.656 1.00 0.00 C ATOM 437 CE2 TYR A 31 10.807 11.474 3.197 1.00 0.00 C ATOM 438 CZ TYR A 31 10.453 11.156 1.903 1.00 0.00 C ATOM 439 OH TYR A 31 11.004 11.853 0.852 1.00 0.00 O ATOM 0 H TYR A 31 8.667 7.245 7.401 1.00 0.00 H new ATOM 0 HA TYR A 31 9.650 7.117 4.617 1.00 0.00 H new ATOM 0 HB2 TYR A 31 7.704 8.728 4.940 1.00 0.00 H new ATOM 0 HB3 TYR A 31 8.711 9.623 6.061 1.00 0.00 H new ATOM 0 HD1 TYR A 31 8.294 8.652 2.517 1.00 0.00 H new ATOM 0 HD2 TYR A 31 10.534 11.020 5.261 1.00 0.00 H new ATOM 0 HE1 TYR A 31 9.276 9.895 0.641 1.00 0.00 H new ATOM 0 HE2 TYR A 31 11.513 12.269 3.387 1.00 0.00 H new ATOM 0 HH TYR A 31 10.440 12.626 0.641 1.00 0.00 H new ATOM 449 N ILE A 32 11.905 7.845 5.334 1.00 0.00 N ATOM 450 CA ILE A 32 13.262 8.135 5.782 1.00 0.00 C ATOM 451 C ILE A 32 13.818 9.372 5.084 1.00 0.00 C ATOM 452 O ILE A 32 14.291 9.315 3.949 1.00 0.00 O ATOM 453 CB ILE A 32 14.206 6.947 5.525 1.00 0.00 C ATOM 454 CG1 ILE A 32 13.660 5.680 6.187 1.00 0.00 C ATOM 455 CG2 ILE A 32 15.603 7.259 6.039 1.00 0.00 C ATOM 456 CD1 ILE A 32 12.642 4.947 5.342 1.00 0.00 C ATOM 0 H ILE A 32 11.843 7.488 4.380 1.00 0.00 H new ATOM 0 HA ILE A 32 13.208 8.319 6.855 1.00 0.00 H new ATOM 0 HB ILE A 32 14.265 6.776 4.450 1.00 0.00 H new ATOM 0 HG12 ILE A 32 14.490 5.008 6.406 1.00 0.00 H new ATOM 0 HG13 ILE A 32 13.205 5.946 7.141 1.00 0.00 H new ATOM 0 HG21 ILE A 32 16.259 6.409 5.850 1.00 0.00 H new ATOM 0 HG22 ILE A 32 15.992 8.138 5.525 1.00 0.00 H new ATOM 0 HG23 ILE A 32 15.561 7.454 7.111 1.00 0.00 H new ATOM 0 HD11 ILE A 32 12.299 4.060 5.874 1.00 0.00 H new ATOM 0 HD12 ILE A 32 11.794 5.602 5.144 1.00 0.00 H new ATOM 0 HD13 ILE A 32 13.099 4.650 4.398 1.00 0.00 H new ATOM 468 N PRO A 33 13.762 10.518 5.778 1.00 0.00 N ATOM 469 CA PRO A 33 14.258 11.791 5.246 1.00 0.00 C ATOM 470 C PRO A 33 15.778 11.819 5.133 1.00 0.00 C ATOM 471 O PRO A 33 16.342 12.655 4.427 1.00 0.00 O ATOM 472 CB PRO A 33 13.779 12.817 6.276 1.00 0.00 C ATOM 473 CG PRO A 33 13.636 12.044 7.542 1.00 0.00 C ATOM 474 CD PRO A 33 13.211 10.660 7.136 1.00 0.00 C ATOM 0 HA PRO A 33 13.895 11.980 4.236 1.00 0.00 H new ATOM 0 HB2 PRO A 33 14.496 13.630 6.388 1.00 0.00 H new ATOM 0 HB3 PRO A 33 12.832 13.266 5.977 1.00 0.00 H new ATOM 0 HG2 PRO A 33 14.577 12.018 8.092 1.00 0.00 H new ATOM 0 HG3 PRO A 33 12.896 12.503 8.198 1.00 0.00 H new ATOM 0 HD2 PRO A 33 13.609 9.903 7.812 1.00 0.00 H new ATOM 0 HD3 PRO A 33 12.126 10.555 7.142 1.00 0.00 H new ATOM 482 N ALA A 34 16.436 10.900 5.832 1.00 0.00 N ATOM 483 CA ALA A 34 17.891 10.819 5.808 1.00 0.00 C ATOM 484 C ALA A 34 18.416 10.797 4.377 1.00 0.00 C ATOM 485 O ALA A 34 19.088 11.730 3.937 1.00 0.00 O ATOM 486 CB ALA A 34 18.363 9.586 6.564 1.00 0.00 C ATOM 0 H ALA A 34 15.984 10.201 6.422 1.00 0.00 H new ATOM 0 HA ALA A 34 18.288 11.707 6.299 1.00 0.00 H new ATOM 0 HB1 ALA A 34 19.452 9.538 6.538 1.00 0.00 H new ATOM 0 HB2 ALA A 34 18.027 9.643 7.599 1.00 0.00 H new ATOM 0 HB3 ALA A 34 17.949 8.692 6.097 1.00 0.00 H new ATOM 492 N SER A 35 18.105 9.726 3.654 1.00 0.00 N ATOM 493 CA SER A 35 18.550 9.580 2.272 1.00 0.00 C ATOM 494 C SER A 35 17.505 10.128 1.305 1.00 0.00 C ATOM 495 O SER A 35 17.256 9.548 0.249 1.00 0.00 O ATOM 496 CB SER A 35 18.832 8.110 1.957 1.00 0.00 C ATOM 497 OG SER A 35 20.134 7.740 2.375 1.00 0.00 O ATOM 0 H SER A 35 17.547 8.946 4.002 1.00 0.00 H new ATOM 0 HA SER A 35 19.469 10.153 2.150 1.00 0.00 H new ATOM 0 HB2 SER A 35 18.094 7.480 2.454 1.00 0.00 H new ATOM 0 HB3 SER A 35 18.728 7.938 0.886 1.00 0.00 H new ATOM 0 HG SER A 35 20.289 6.796 2.164 1.00 0.00 H new ATOM 503 N ASN A 36 16.896 11.250 1.675 1.00 0.00 N ATOM 504 CA ASN A 36 15.877 11.877 0.841 1.00 0.00 C ATOM 505 C ASN A 36 16.369 13.215 0.295 1.00 0.00 C ATOM 506 O ASN A 36 17.259 13.841 0.867 1.00 0.00 O ATOM 507 CB ASN A 36 14.589 12.083 1.641 1.00 0.00 C ATOM 508 CG ASN A 36 13.514 12.784 0.834 1.00 0.00 C ATOM 509 OD1 ASN A 36 13.408 12.595 -0.377 1.00 0.00 O ATOM 510 ND2 ASN A 36 12.709 13.600 1.505 1.00 0.00 N ATOM 0 H ASN A 36 17.090 11.743 2.546 1.00 0.00 H new ATOM 0 HA ASN A 36 15.673 11.214 0.000 1.00 0.00 H new ATOM 0 HB2 ASN A 36 14.215 11.116 1.977 1.00 0.00 H new ATOM 0 HB3 ASN A 36 14.809 12.668 2.534 1.00 0.00 H new ATOM 0 HD21 ASN A 36 11.966 14.100 1.016 1.00 0.00 H new ATOM 0 HD22 ASN A 36 12.833 13.727 2.509 1.00 0.00 H new ATOM 517 N ASN A 37 15.781 13.646 -0.817 1.00 0.00 N ATOM 518 CA ASN A 37 16.159 14.909 -1.441 1.00 0.00 C ATOM 519 C ASN A 37 15.283 16.050 -0.932 1.00 0.00 C ATOM 520 O ASN A 37 14.987 16.992 -1.665 1.00 0.00 O ATOM 521 CB ASN A 37 16.045 14.803 -2.963 1.00 0.00 C ATOM 522 CG ASN A 37 17.202 14.040 -3.577 1.00 0.00 C ATOM 523 OD1 ASN A 37 17.369 12.844 -3.336 1.00 0.00 O ATOM 524 ND2 ASN A 37 18.008 14.729 -4.376 1.00 0.00 N ATOM 0 H ASN A 37 15.042 13.139 -1.304 1.00 0.00 H new ATOM 0 HA ASN A 37 17.194 15.123 -1.175 1.00 0.00 H new ATOM 0 HB2 ASN A 37 15.109 14.308 -3.221 1.00 0.00 H new ATOM 0 HB3 ASN A 37 16.005 15.804 -3.392 1.00 0.00 H new ATOM 0 HD21 ASN A 37 18.803 14.268 -4.818 1.00 0.00 H new ATOM 0 HD22 ASN A 37 17.832 15.719 -4.548 1.00 0.00 H new ATOM 531 N ASN A 38 14.873 15.957 0.329 1.00 0.00 N ATOM 532 CA ASN A 38 14.032 16.982 0.936 1.00 0.00 C ATOM 533 C ASN A 38 13.043 17.547 -0.079 1.00 0.00 C ATOM 534 O ASN A 38 12.866 18.761 -0.182 1.00 0.00 O ATOM 535 CB ASN A 38 14.896 18.110 1.505 1.00 0.00 C ATOM 536 CG ASN A 38 14.087 19.106 2.313 1.00 0.00 C ATOM 537 OD1 ASN A 38 13.706 20.164 1.812 1.00 0.00 O ATOM 538 ND2 ASN A 38 13.822 18.772 3.570 1.00 0.00 N ATOM 0 H ASN A 38 15.109 15.183 0.950 1.00 0.00 H new ATOM 0 HA ASN A 38 13.469 16.520 1.747 1.00 0.00 H new ATOM 0 HB2 ASN A 38 15.677 17.684 2.135 1.00 0.00 H new ATOM 0 HB3 ASN A 38 15.395 18.630 0.687 1.00 0.00 H new ATOM 0 HD21 ASN A 38 13.282 19.403 4.162 1.00 0.00 H new ATOM 0 HD22 ASN A 38 14.158 17.884 3.944 1.00 0.00 H new ATOM 545 N THR A 39 12.401 16.657 -0.830 1.00 0.00 N ATOM 546 CA THR A 39 11.431 17.065 -1.837 1.00 0.00 C ATOM 547 C THR A 39 10.008 16.745 -1.393 1.00 0.00 C ATOM 548 O THR A 39 9.737 15.701 -0.799 1.00 0.00 O ATOM 549 CB THR A 39 11.701 16.377 -3.189 1.00 0.00 C ATOM 550 OG1 THR A 39 10.981 17.044 -4.231 1.00 0.00 O ATOM 551 CG2 THR A 39 11.293 14.912 -3.141 1.00 0.00 C ATOM 0 H THR A 39 12.536 15.648 -0.759 1.00 0.00 H new ATOM 0 HA THR A 39 11.537 18.143 -1.958 1.00 0.00 H new ATOM 0 HB THR A 39 12.770 16.434 -3.394 1.00 0.00 H new ATOM 0 HG1 THR A 39 11.159 16.601 -5.087 1.00 0.00 H new ATOM 0 HG21 THR A 39 11.493 14.447 -4.106 1.00 0.00 H new ATOM 0 HG22 THR A 39 11.864 14.400 -2.367 1.00 0.00 H new ATOM 0 HG23 THR A 39 10.229 14.838 -2.916 1.00 0.00 H new ATOM 559 N PRO A 40 9.075 17.664 -1.686 1.00 0.00 N ATOM 560 CA PRO A 40 7.664 17.501 -1.326 1.00 0.00 C ATOM 561 C PRO A 40 6.981 16.406 -2.138 1.00 0.00 C ATOM 562 O PRO A 40 7.172 16.309 -3.351 1.00 0.00 O ATOM 563 CB PRO A 40 7.054 18.867 -1.652 1.00 0.00 C ATOM 564 CG PRO A 40 7.945 19.438 -2.700 1.00 0.00 C ATOM 565 CD PRO A 40 9.327 18.931 -2.391 1.00 0.00 C ATOM 0 HA PRO A 40 7.542 17.201 -0.285 1.00 0.00 H new ATOM 0 HB2 PRO A 40 6.030 18.768 -2.013 1.00 0.00 H new ATOM 0 HB3 PRO A 40 7.020 19.506 -0.770 1.00 0.00 H new ATOM 0 HG2 PRO A 40 7.628 19.125 -3.695 1.00 0.00 H new ATOM 0 HG3 PRO A 40 7.917 20.528 -2.685 1.00 0.00 H new ATOM 0 HD2 PRO A 40 9.911 18.777 -3.298 1.00 0.00 H new ATOM 0 HD3 PRO A 40 9.883 19.633 -1.770 1.00 0.00 H new ATOM 573 N ILE A 41 6.185 15.583 -1.463 1.00 0.00 N ATOM 574 CA ILE A 41 5.473 14.496 -2.124 1.00 0.00 C ATOM 575 C ILE A 41 4.005 14.849 -2.335 1.00 0.00 C ATOM 576 O ILE A 41 3.369 15.452 -1.469 1.00 0.00 O ATOM 577 CB ILE A 41 5.564 13.190 -1.313 1.00 0.00 C ATOM 578 CG1 ILE A 41 7.007 12.938 -0.871 1.00 0.00 C ATOM 579 CG2 ILE A 41 5.044 12.020 -2.135 1.00 0.00 C ATOM 580 CD1 ILE A 41 7.181 11.662 -0.077 1.00 0.00 C ATOM 0 H ILE A 41 6.017 15.648 -0.459 1.00 0.00 H new ATOM 0 HA ILE A 41 5.951 14.347 -3.092 1.00 0.00 H new ATOM 0 HB ILE A 41 4.943 13.288 -0.422 1.00 0.00 H new ATOM 0 HG12 ILE A 41 7.647 12.898 -1.753 1.00 0.00 H new ATOM 0 HG13 ILE A 41 7.346 13.781 -0.269 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.115 11.104 -1.549 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.003 12.199 -2.405 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.641 11.918 -3.041 1.00 0.00 H new ATOM 0 HD11 ILE A 41 8.228 11.548 0.203 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.568 11.707 0.823 1.00 0.00 H new ATOM 0 HD13 ILE A 41 6.873 10.811 -0.684 1.00 0.00 H new ATOM 592 N HIS A 42 3.471 14.469 -3.491 1.00 0.00 N ATOM 593 CA HIS A 42 2.075 14.743 -3.816 1.00 0.00 C ATOM 594 C HIS A 42 1.141 13.905 -2.948 1.00 0.00 C ATOM 595 O HIS A 42 0.146 14.406 -2.427 1.00 0.00 O ATOM 596 CB HIS A 42 1.808 14.459 -5.294 1.00 0.00 C ATOM 597 CG HIS A 42 2.194 15.588 -6.200 1.00 0.00 C ATOM 598 ND1 HIS A 42 2.441 15.422 -7.546 1.00 0.00 N ATOM 599 CD2 HIS A 42 2.374 16.905 -5.945 1.00 0.00 C ATOM 600 CE1 HIS A 42 2.758 16.588 -8.081 1.00 0.00 C ATOM 601 NE2 HIS A 42 2.723 17.505 -7.130 1.00 0.00 N ATOM 0 H HIS A 42 3.983 13.970 -4.219 1.00 0.00 H new ATOM 0 HA HIS A 42 1.881 15.797 -3.616 1.00 0.00 H new ATOM 0 HB2 HIS A 42 2.356 13.564 -5.588 1.00 0.00 H new ATOM 0 HB3 HIS A 42 0.748 14.242 -5.428 1.00 0.00 H new ATOM 0 HD2 HIS A 42 2.264 17.393 -4.988 1.00 0.00 H new ATOM 0 HE1 HIS A 42 3.004 16.762 -9.118 1.00 0.00 H new ATOM 0 HE2 HIS A 42 2.923 18.497 -7.256 1.00 0.00 H new ATOM 610 N GLY A 43 1.469 12.625 -2.799 1.00 0.00 N ATOM 611 CA GLY A 43 0.648 11.738 -1.995 1.00 0.00 C ATOM 612 C GLY A 43 1.271 10.366 -1.827 1.00 0.00 C ATOM 613 O GLY A 43 2.490 10.239 -1.714 1.00 0.00 O ATOM 0 H GLY A 43 2.288 12.187 -3.220 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.490 12.185 -1.013 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.332 11.634 -2.460 1.00 0.00 H new ATOM 617 N PHE A 44 0.431 9.336 -1.808 1.00 0.00 N ATOM 618 CA PHE A 44 0.906 7.966 -1.650 1.00 0.00 C ATOM 619 C PHE A 44 -0.009 6.986 -2.378 1.00 0.00 C ATOM 620 O PHE A 44 -1.212 6.936 -2.123 1.00 0.00 O ATOM 621 CB PHE A 44 0.986 7.600 -0.166 1.00 0.00 C ATOM 622 CG PHE A 44 2.154 8.224 0.543 1.00 0.00 C ATOM 623 CD1 PHE A 44 3.453 7.897 0.187 1.00 0.00 C ATOM 624 CD2 PHE A 44 1.954 9.138 1.565 1.00 0.00 C ATOM 625 CE1 PHE A 44 4.529 8.469 0.839 1.00 0.00 C ATOM 626 CE2 PHE A 44 3.026 9.714 2.219 1.00 0.00 C ATOM 627 CZ PHE A 44 4.316 9.379 1.855 1.00 0.00 C ATOM 0 H PHE A 44 -0.581 9.424 -1.900 1.00 0.00 H new ATOM 0 HA PHE A 44 1.902 7.900 -2.088 1.00 0.00 H new ATOM 0 HB2 PHE A 44 0.064 7.910 0.327 1.00 0.00 H new ATOM 0 HB3 PHE A 44 1.050 6.516 -0.070 1.00 0.00 H new ATOM 0 HD1 PHE A 44 3.626 7.187 -0.609 1.00 0.00 H new ATOM 0 HD2 PHE A 44 0.948 9.403 1.854 1.00 0.00 H new ATOM 0 HE1 PHE A 44 5.536 8.204 0.554 1.00 0.00 H new ATOM 0 HE2 PHE A 44 2.856 10.425 3.014 1.00 0.00 H new ATOM 0 HZ PHE A 44 5.156 9.828 2.364 1.00 0.00 H new ATOM 637 N TYR A 45 0.571 6.209 -3.286 1.00 0.00 N ATOM 638 CA TYR A 45 -0.191 5.232 -4.055 1.00 0.00 C ATOM 639 C TYR A 45 -0.057 3.838 -3.449 1.00 0.00 C ATOM 640 O TYR A 45 1.035 3.421 -3.061 1.00 0.00 O ATOM 641 CB TYR A 45 0.280 5.216 -5.510 1.00 0.00 C ATOM 642 CG TYR A 45 -0.411 6.240 -6.381 1.00 0.00 C ATOM 643 CD1 TYR A 45 -1.793 6.381 -6.359 1.00 0.00 C ATOM 644 CD2 TYR A 45 0.318 7.067 -7.227 1.00 0.00 C ATOM 645 CE1 TYR A 45 -2.428 7.315 -7.154 1.00 0.00 C ATOM 646 CE2 TYR A 45 -0.309 8.004 -8.024 1.00 0.00 C ATOM 647 CZ TYR A 45 -1.682 8.125 -7.985 1.00 0.00 C ATOM 648 OH TYR A 45 -2.311 9.057 -8.777 1.00 0.00 O ATOM 0 H TYR A 45 1.566 6.237 -3.508 1.00 0.00 H new ATOM 0 HA TYR A 45 -1.241 5.522 -4.024 1.00 0.00 H new ATOM 0 HB2 TYR A 45 1.355 5.394 -5.537 1.00 0.00 H new ATOM 0 HB3 TYR A 45 0.111 4.223 -5.927 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -2.381 5.750 -5.709 1.00 0.00 H new ATOM 0 HD2 TYR A 45 1.394 6.975 -7.262 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -3.503 7.411 -7.125 1.00 0.00 H new ATOM 0 HE2 TYR A 45 0.273 8.639 -8.675 1.00 0.00 H new ATOM 0 HH TYR A 45 -1.642 9.546 -9.301 1.00 0.00 H new ATOM 658 N ILE A 46 -1.174 3.122 -3.374 1.00 0.00 N ATOM 659 CA ILE A 46 -1.182 1.775 -2.818 1.00 0.00 C ATOM 660 C ILE A 46 -1.784 0.778 -3.802 1.00 0.00 C ATOM 661 O ILE A 46 -2.938 0.910 -4.209 1.00 0.00 O ATOM 662 CB ILE A 46 -1.971 1.715 -1.497 1.00 0.00 C ATOM 663 CG1 ILE A 46 -1.362 2.672 -0.470 1.00 0.00 C ATOM 664 CG2 ILE A 46 -1.992 0.293 -0.956 1.00 0.00 C ATOM 665 CD1 ILE A 46 -2.368 3.218 0.518 1.00 0.00 C ATOM 0 H ILE A 46 -2.085 3.453 -3.691 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.143 1.508 -2.623 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.998 2.025 -1.690 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.574 2.153 0.076 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -0.892 3.504 -0.995 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.553 0.267 -0.022 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.467 -0.366 -1.683 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.971 -0.042 -0.775 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.866 3.889 1.215 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.144 3.766 -0.017 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.821 2.394 1.069 1.00 0.00 H new ATOM 677 N TYR A 47 -0.994 -0.222 -4.180 1.00 0.00 N ATOM 678 CA TYR A 47 -1.449 -1.242 -5.118 1.00 0.00 C ATOM 679 C TYR A 47 -1.749 -2.551 -4.394 1.00 0.00 C ATOM 680 O TYR A 47 -0.995 -2.976 -3.518 1.00 0.00 O ATOM 681 CB TYR A 47 -0.395 -1.475 -6.201 1.00 0.00 C ATOM 682 CG TYR A 47 -0.026 -0.224 -6.965 1.00 0.00 C ATOM 683 CD1 TYR A 47 0.584 0.850 -6.327 1.00 0.00 C ATOM 684 CD2 TYR A 47 -0.285 -0.115 -8.326 1.00 0.00 C ATOM 685 CE1 TYR A 47 0.922 1.995 -7.022 1.00 0.00 C ATOM 686 CE2 TYR A 47 0.051 1.026 -9.029 1.00 0.00 C ATOM 687 CZ TYR A 47 0.654 2.078 -8.372 1.00 0.00 C ATOM 688 OH TYR A 47 0.991 3.217 -9.067 1.00 0.00 O ATOM 0 H TYR A 47 -0.037 -0.348 -3.851 1.00 0.00 H new ATOM 0 HA TYR A 47 -2.367 -0.887 -5.585 1.00 0.00 H new ATOM 0 HB2 TYR A 47 0.503 -1.887 -5.740 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -0.766 -2.223 -6.902 1.00 0.00 H new ATOM 0 HD1 TYR A 47 0.797 0.788 -5.270 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -0.757 -0.937 -8.843 1.00 0.00 H new ATOM 0 HE1 TYR A 47 1.394 2.821 -6.511 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.157 1.094 -10.087 1.00 0.00 H new ATOM 0 HH TYR A 47 0.736 3.114 -10.008 1.00 0.00 H new ATOM 698 N TYR A 48 -2.854 -3.187 -4.769 1.00 0.00 N ATOM 699 CA TYR A 48 -3.256 -4.447 -4.155 1.00 0.00 C ATOM 700 C TYR A 48 -3.971 -5.340 -5.165 1.00 0.00 C ATOM 701 O TYR A 48 -4.674 -4.854 -6.051 1.00 0.00 O ATOM 702 CB TYR A 48 -4.165 -4.187 -2.953 1.00 0.00 C ATOM 703 CG TYR A 48 -5.274 -3.199 -3.236 1.00 0.00 C ATOM 704 CD1 TYR A 48 -6.500 -3.625 -3.732 1.00 0.00 C ATOM 705 CD2 TYR A 48 -5.097 -1.840 -3.008 1.00 0.00 C ATOM 706 CE1 TYR A 48 -7.517 -2.726 -3.993 1.00 0.00 C ATOM 707 CE2 TYR A 48 -6.108 -0.934 -3.265 1.00 0.00 C ATOM 708 CZ TYR A 48 -7.316 -1.382 -3.757 1.00 0.00 C ATOM 709 OH TYR A 48 -8.325 -0.483 -4.015 1.00 0.00 O ATOM 0 H TYR A 48 -3.487 -2.851 -5.495 1.00 0.00 H new ATOM 0 HA TYR A 48 -2.356 -4.960 -3.816 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -4.604 -5.131 -2.629 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -3.561 -3.816 -2.125 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -6.661 -4.677 -3.917 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -4.152 -1.485 -2.623 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -8.464 -3.074 -4.379 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -5.953 0.119 -3.082 1.00 0.00 H new ATOM 0 HH TYR A 48 -7.945 0.334 -4.400 1.00 0.00 H new ATOM 719 N ARG A 49 -3.787 -6.648 -5.022 1.00 0.00 N ATOM 720 CA ARG A 49 -4.414 -7.610 -5.920 1.00 0.00 C ATOM 721 C ARG A 49 -4.379 -9.014 -5.324 1.00 0.00 C ATOM 722 O ARG A 49 -3.411 -9.417 -4.677 1.00 0.00 O ATOM 723 CB ARG A 49 -3.710 -7.605 -7.279 1.00 0.00 C ATOM 724 CG ARG A 49 -2.312 -8.199 -7.243 1.00 0.00 C ATOM 725 CD ARG A 49 -2.333 -9.692 -7.529 1.00 0.00 C ATOM 726 NE ARG A 49 -1.079 -10.339 -7.153 1.00 0.00 N ATOM 727 CZ ARG A 49 0.061 -10.171 -7.812 1.00 0.00 C ATOM 728 NH1 ARG A 49 0.106 -9.380 -8.875 1.00 0.00 N ATOM 729 NH2 ARG A 49 1.161 -10.794 -7.409 1.00 0.00 N ATOM 0 H ARG A 49 -3.209 -7.066 -4.293 1.00 0.00 H new ATOM 0 HA ARG A 49 -5.455 -7.317 -6.055 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -4.314 -8.163 -7.994 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -3.651 -6.580 -7.644 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -1.683 -7.696 -7.977 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -1.865 -8.021 -6.265 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -3.157 -10.154 -6.985 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -2.521 -9.855 -8.590 1.00 0.00 H new ATOM 0 HE ARG A 49 -1.079 -10.954 -6.339 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -0.737 -8.899 -9.188 1.00 0.00 H new ATOM 0 HH12 ARG A 49 0.983 -9.253 -9.379 1.00 0.00 H new ATOM 0 HH21 ARG A 49 1.132 -11.403 -6.592 1.00 0.00 H new ATOM 0 HH22 ARG A 49 2.036 -10.664 -7.917 1.00 0.00 H new ATOM 743 N PRO A 50 -5.459 -9.778 -5.544 1.00 0.00 N ATOM 744 CA PRO A 50 -5.577 -11.148 -5.036 1.00 0.00 C ATOM 745 C PRO A 50 -4.630 -12.112 -5.744 1.00 0.00 C ATOM 746 O PRO A 50 -4.376 -11.982 -6.942 1.00 0.00 O ATOM 747 CB PRO A 50 -7.033 -11.513 -5.334 1.00 0.00 C ATOM 748 CG PRO A 50 -7.413 -10.646 -6.484 1.00 0.00 C ATOM 749 CD PRO A 50 -6.649 -9.363 -6.305 1.00 0.00 C ATOM 0 HA PRO A 50 -5.314 -11.215 -3.980 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -7.133 -12.569 -5.584 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -7.672 -11.328 -4.471 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -7.160 -11.122 -7.432 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -8.487 -10.462 -6.496 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -6.379 -8.919 -7.263 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -7.233 -8.620 -5.763 1.00 0.00 H new ATOM 757 N THR A 51 -4.110 -13.080 -4.996 1.00 0.00 N ATOM 758 CA THR A 51 -3.191 -14.065 -5.552 1.00 0.00 C ATOM 759 C THR A 51 -3.780 -14.728 -6.792 1.00 0.00 C ATOM 760 O THR A 51 -3.051 -15.117 -7.705 1.00 0.00 O ATOM 761 CB THR A 51 -2.842 -15.153 -4.519 1.00 0.00 C ATOM 762 OG1 THR A 51 -1.565 -15.725 -4.823 1.00 0.00 O ATOM 763 CG2 THR A 51 -3.901 -16.245 -4.503 1.00 0.00 C ATOM 0 H THR A 51 -4.310 -13.203 -4.003 1.00 0.00 H new ATOM 0 HA THR A 51 -2.282 -13.530 -5.827 1.00 0.00 H new ATOM 0 HB THR A 51 -2.807 -14.689 -3.533 1.00 0.00 H new ATOM 0 HG1 THR A 51 -1.350 -16.415 -4.161 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.632 -17.002 -3.766 1.00 0.00 H new ATOM 0 HG22 THR A 51 -4.867 -15.812 -4.243 1.00 0.00 H new ATOM 0 HG23 THR A 51 -3.964 -16.705 -5.489 1.00 0.00 H new ATOM 771 N ASP A 52 -5.102 -14.854 -6.818 1.00 0.00 N ATOM 772 CA ASP A 52 -5.789 -15.469 -7.948 1.00 0.00 C ATOM 773 C ASP A 52 -5.641 -14.615 -9.204 1.00 0.00 C ATOM 774 O ASP A 52 -5.735 -15.119 -10.323 1.00 0.00 O ATOM 775 CB ASP A 52 -7.270 -15.669 -7.624 1.00 0.00 C ATOM 776 CG ASP A 52 -7.897 -16.780 -8.443 1.00 0.00 C ATOM 777 OD1 ASP A 52 -7.910 -16.666 -9.687 1.00 0.00 O ATOM 778 OD2 ASP A 52 -8.375 -17.763 -7.841 1.00 0.00 O ATOM 0 H ASP A 52 -5.719 -14.539 -6.070 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.332 -16.441 -8.135 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -7.379 -15.897 -6.564 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -7.808 -14.739 -7.807 1.00 0.00 H new ATOM 783 N SER A 53 -5.410 -13.321 -9.010 1.00 0.00 N ATOM 784 CA SER A 53 -5.254 -12.396 -10.127 1.00 0.00 C ATOM 785 C SER A 53 -4.322 -12.976 -11.186 1.00 0.00 C ATOM 786 O SER A 53 -3.704 -14.021 -10.980 1.00 0.00 O ATOM 787 CB SER A 53 -4.710 -11.054 -9.633 1.00 0.00 C ATOM 788 OG SER A 53 -5.714 -10.313 -8.961 1.00 0.00 O ATOM 0 H SER A 53 -5.327 -12.889 -8.090 1.00 0.00 H new ATOM 0 HA SER A 53 -6.234 -12.239 -10.577 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.868 -11.224 -8.962 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.332 -10.478 -10.478 1.00 0.00 H new ATOM 0 HG SER A 53 -6.291 -9.872 -9.619 1.00 0.00 H new ATOM 794 N ASP A 54 -4.228 -12.292 -12.321 1.00 0.00 N ATOM 795 CA ASP A 54 -3.371 -12.737 -13.413 1.00 0.00 C ATOM 796 C ASP A 54 -1.950 -12.212 -13.239 1.00 0.00 C ATOM 797 O ASP A 54 -1.021 -12.978 -12.990 1.00 0.00 O ATOM 798 CB ASP A 54 -3.938 -12.273 -14.756 1.00 0.00 C ATOM 799 CG ASP A 54 -3.562 -13.201 -15.895 1.00 0.00 C ATOM 800 OD1 ASP A 54 -3.733 -14.429 -15.742 1.00 0.00 O ATOM 801 OD2 ASP A 54 -3.098 -12.698 -16.940 1.00 0.00 O ATOM 0 H ASP A 54 -4.735 -11.427 -12.509 1.00 0.00 H new ATOM 0 HA ASP A 54 -3.341 -13.826 -13.396 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -5.024 -12.210 -14.686 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -3.573 -11.269 -14.974 1.00 0.00 H new ATOM 806 N ASN A 55 -1.789 -10.899 -13.372 1.00 0.00 N ATOM 807 CA ASN A 55 -0.480 -10.271 -13.231 1.00 0.00 C ATOM 808 C ASN A 55 -0.611 -8.867 -12.648 1.00 0.00 C ATOM 809 O ASN A 55 -1.709 -8.422 -12.315 1.00 0.00 O ATOM 810 CB ASN A 55 0.228 -10.210 -14.585 1.00 0.00 C ATOM 811 CG ASN A 55 0.277 -11.560 -15.274 1.00 0.00 C ATOM 812 OD1 ASN A 55 0.937 -12.486 -14.804 1.00 0.00 O ATOM 813 ND2 ASN A 55 -0.424 -11.677 -16.396 1.00 0.00 N ATOM 0 H ASN A 55 -2.548 -10.250 -13.577 1.00 0.00 H new ATOM 0 HA ASN A 55 0.114 -10.876 -12.546 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -0.285 -9.495 -15.228 1.00 0.00 H new ATOM 0 HB3 ASN A 55 1.244 -9.840 -14.444 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -0.429 -12.561 -16.904 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -0.957 -10.883 -16.749 1.00 0.00 H new ATOM 820 N ASP A 56 0.517 -8.175 -12.529 1.00 0.00 N ATOM 821 CA ASP A 56 0.529 -6.821 -11.988 1.00 0.00 C ATOM 822 C ASP A 56 -0.512 -5.949 -12.683 1.00 0.00 C ATOM 823 O ASP A 56 -0.988 -4.964 -12.119 1.00 0.00 O ATOM 824 CB ASP A 56 1.918 -6.200 -12.143 1.00 0.00 C ATOM 825 CG ASP A 56 1.864 -4.693 -12.304 1.00 0.00 C ATOM 826 OD1 ASP A 56 1.258 -4.026 -11.440 1.00 0.00 O ATOM 827 OD2 ASP A 56 2.426 -4.181 -13.295 1.00 0.00 O ATOM 0 H ASP A 56 1.434 -8.529 -12.800 1.00 0.00 H new ATOM 0 HA ASP A 56 0.281 -6.877 -10.928 1.00 0.00 H new ATOM 0 HB2 ASP A 56 2.523 -6.448 -11.271 1.00 0.00 H new ATOM 0 HB3 ASP A 56 2.414 -6.638 -13.010 1.00 0.00 H new ATOM 832 N SER A 57 -0.860 -6.317 -13.912 1.00 0.00 N ATOM 833 CA SER A 57 -1.841 -5.566 -14.686 1.00 0.00 C ATOM 834 C SER A 57 -3.133 -5.382 -13.895 1.00 0.00 C ATOM 835 O SER A 57 -3.970 -4.546 -14.237 1.00 0.00 O ATOM 836 CB SER A 57 -2.136 -6.281 -16.006 1.00 0.00 C ATOM 837 OG SER A 57 -2.685 -5.386 -16.959 1.00 0.00 O ATOM 0 H SER A 57 -0.477 -7.131 -14.393 1.00 0.00 H new ATOM 0 HA SER A 57 -1.423 -4.582 -14.899 1.00 0.00 H new ATOM 0 HB2 SER A 57 -1.218 -6.718 -16.399 1.00 0.00 H new ATOM 0 HB3 SER A 57 -2.831 -7.102 -15.831 1.00 0.00 H new ATOM 0 HG SER A 57 -3.276 -4.749 -16.507 1.00 0.00 H new ATOM 843 N ASP A 58 -3.287 -6.169 -12.836 1.00 0.00 N ATOM 844 CA ASP A 58 -4.475 -6.094 -11.994 1.00 0.00 C ATOM 845 C ASP A 58 -4.252 -5.141 -10.824 1.00 0.00 C ATOM 846 O ASP A 58 -5.161 -4.414 -10.420 1.00 0.00 O ATOM 847 CB ASP A 58 -4.846 -7.483 -11.473 1.00 0.00 C ATOM 848 CG ASP A 58 -6.312 -7.590 -11.103 1.00 0.00 C ATOM 849 OD1 ASP A 58 -6.678 -7.154 -9.991 1.00 0.00 O ATOM 850 OD2 ASP A 58 -7.095 -8.110 -11.926 1.00 0.00 O ATOM 0 H ASP A 58 -2.604 -6.866 -12.540 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.296 -5.711 -12.600 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.611 -8.228 -12.233 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.236 -7.715 -10.600 1.00 0.00 H new ATOM 855 N TYR A 59 -3.040 -5.151 -10.282 1.00 0.00 N ATOM 856 CA TYR A 59 -2.699 -4.290 -9.156 1.00 0.00 C ATOM 857 C TYR A 59 -3.430 -2.954 -9.249 1.00 0.00 C ATOM 858 O TYR A 59 -3.272 -2.212 -10.219 1.00 0.00 O ATOM 859 CB TYR A 59 -1.188 -4.054 -9.106 1.00 0.00 C ATOM 860 CG TYR A 59 -0.444 -5.066 -8.264 1.00 0.00 C ATOM 861 CD1 TYR A 59 -0.918 -5.440 -7.012 1.00 0.00 C ATOM 862 CD2 TYR A 59 0.732 -5.648 -8.720 1.00 0.00 C ATOM 863 CE1 TYR A 59 -0.242 -6.363 -6.239 1.00 0.00 C ATOM 864 CE2 TYR A 59 1.414 -6.573 -7.954 1.00 0.00 C ATOM 865 CZ TYR A 59 0.924 -6.928 -6.715 1.00 0.00 C ATOM 866 OH TYR A 59 1.601 -7.848 -5.948 1.00 0.00 O ATOM 0 H TYR A 59 -2.277 -5.746 -10.604 1.00 0.00 H new ATOM 0 HA TYR A 59 -3.013 -4.792 -8.241 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -0.792 -4.077 -10.121 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -0.998 -3.056 -8.712 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -1.831 -5.001 -6.637 1.00 0.00 H new ATOM 0 HD2 TYR A 59 1.119 -5.373 -9.690 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.623 -6.641 -5.268 1.00 0.00 H new ATOM 0 HE2 TYR A 59 2.327 -7.016 -8.324 1.00 0.00 H new ATOM 0 HH TYR A 59 2.400 -8.149 -6.428 1.00 0.00 H new ATOM 876 N LYS A 60 -4.233 -2.655 -8.233 1.00 0.00 N ATOM 877 CA LYS A 60 -4.989 -1.409 -8.197 1.00 0.00 C ATOM 878 C LYS A 60 -4.094 -0.241 -7.795 1.00 0.00 C ATOM 879 O LYS A 60 -2.880 -0.392 -7.664 1.00 0.00 O ATOM 880 CB LYS A 60 -6.161 -1.527 -7.220 1.00 0.00 C ATOM 881 CG LYS A 60 -7.350 -2.284 -7.785 1.00 0.00 C ATOM 882 CD LYS A 60 -7.268 -3.768 -7.468 1.00 0.00 C ATOM 883 CE LYS A 60 -8.137 -4.587 -8.411 1.00 0.00 C ATOM 884 NZ LYS A 60 -8.527 -5.894 -7.811 1.00 0.00 N ATOM 0 H LYS A 60 -4.377 -3.259 -7.424 1.00 0.00 H new ATOM 0 HA LYS A 60 -5.376 -1.219 -9.198 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -5.819 -2.028 -6.314 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -6.483 -0.527 -6.929 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -8.272 -1.874 -7.374 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -7.392 -2.144 -8.865 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -6.233 -4.101 -7.544 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -7.584 -3.940 -6.439 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -9.034 -4.021 -8.663 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -7.598 -4.761 -9.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -8.115 -6.669 -8.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -8.175 -5.946 -6.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -9.563 -5.980 -7.811 1.00 0.00 H new ATOM 898 N LYS A 61 -4.702 0.925 -7.600 1.00 0.00 N ATOM 899 CA LYS A 61 -3.962 2.119 -7.210 1.00 0.00 C ATOM 900 C LYS A 61 -4.812 3.020 -6.320 1.00 0.00 C ATOM 901 O LYS A 61 -5.720 3.701 -6.798 1.00 0.00 O ATOM 902 CB LYS A 61 -3.508 2.891 -8.451 1.00 0.00 C ATOM 903 CG LYS A 61 -2.537 4.018 -8.145 1.00 0.00 C ATOM 904 CD LYS A 61 -1.700 4.377 -9.361 1.00 0.00 C ATOM 905 CE LYS A 61 -2.464 5.281 -10.316 1.00 0.00 C ATOM 906 NZ LYS A 61 -1.662 5.614 -11.526 1.00 0.00 N ATOM 0 H LYS A 61 -5.706 1.068 -7.706 1.00 0.00 H new ATOM 0 HA LYS A 61 -3.085 1.804 -6.645 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -3.038 2.197 -9.148 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -4.384 3.303 -8.953 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.090 4.896 -7.811 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -1.882 3.723 -7.325 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.785 4.875 -9.040 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -1.402 3.466 -9.880 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -3.390 4.791 -10.618 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -2.743 6.200 -9.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -2.218 6.232 -12.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -0.790 6.104 -11.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -1.417 4.739 -12.032 1.00 0.00 H new ATOM 920 N ASP A 62 -4.512 3.020 -5.027 1.00 0.00 N ATOM 921 CA ASP A 62 -5.247 3.840 -4.071 1.00 0.00 C ATOM 922 C ASP A 62 -4.380 4.984 -3.556 1.00 0.00 C ATOM 923 O ASP A 62 -3.468 4.774 -2.757 1.00 0.00 O ATOM 924 CB ASP A 62 -5.732 2.984 -2.899 1.00 0.00 C ATOM 925 CG ASP A 62 -7.060 2.312 -3.184 1.00 0.00 C ATOM 926 OD1 ASP A 62 -7.289 1.919 -4.347 1.00 0.00 O ATOM 927 OD2 ASP A 62 -7.873 2.181 -2.244 1.00 0.00 O ATOM 0 H ASP A 62 -3.764 2.461 -4.616 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.111 4.265 -4.583 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -4.984 2.224 -2.674 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -5.828 3.609 -2.011 1.00 0.00 H new ATOM 932 N MET A 63 -4.670 6.195 -4.021 1.00 0.00 N ATOM 933 CA MET A 63 -3.916 7.373 -3.607 1.00 0.00 C ATOM 934 C MET A 63 -4.237 7.744 -2.163 1.00 0.00 C ATOM 935 O MET A 63 -5.321 7.445 -1.661 1.00 0.00 O ATOM 936 CB MET A 63 -4.225 8.553 -4.531 1.00 0.00 C ATOM 937 CG MET A 63 -3.089 9.557 -4.635 1.00 0.00 C ATOM 938 SD MET A 63 -3.022 10.680 -3.225 1.00 0.00 S ATOM 939 CE MET A 63 -4.385 11.779 -3.603 1.00 0.00 C ATOM 0 H MET A 63 -5.421 6.386 -4.684 1.00 0.00 H new ATOM 0 HA MET A 63 -2.854 7.137 -3.675 1.00 0.00 H new ATOM 0 HB2 MET A 63 -4.456 8.174 -5.526 1.00 0.00 H new ATOM 0 HB3 MET A 63 -5.118 9.063 -4.169 1.00 0.00 H new ATOM 0 HG2 MET A 63 -2.143 9.022 -4.714 1.00 0.00 H new ATOM 0 HG3 MET A 63 -3.204 10.137 -5.551 1.00 0.00 H new ATOM 0 HE1 MET A 63 -4.060 12.813 -3.491 1.00 0.00 H new ATOM 0 HE2 MET A 63 -4.714 11.611 -4.628 1.00 0.00 H new ATOM 0 HE3 MET A 63 -5.211 11.582 -2.920 1.00 0.00 H new ATOM 949 N VAL A 64 -3.288 8.398 -1.500 1.00 0.00 N ATOM 950 CA VAL A 64 -3.471 8.810 -0.113 1.00 0.00 C ATOM 951 C VAL A 64 -2.774 10.138 0.161 1.00 0.00 C ATOM 952 O VAL A 64 -1.696 10.405 -0.368 1.00 0.00 O ATOM 953 CB VAL A 64 -2.932 7.749 0.864 1.00 0.00 C ATOM 954 CG1 VAL A 64 -3.340 8.080 2.291 1.00 0.00 C ATOM 955 CG2 VAL A 64 -3.421 6.364 0.469 1.00 0.00 C ATOM 0 H VAL A 64 -2.385 8.654 -1.901 1.00 0.00 H new ATOM 0 HA VAL A 64 -4.543 8.926 0.044 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.843 7.753 0.813 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -2.950 7.319 2.967 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -2.936 9.053 2.569 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -4.427 8.105 2.362 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -3.030 5.627 1.170 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -4.511 6.343 0.490 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -3.073 6.128 -0.537 1.00 0.00 H new ATOM 965 N GLU A 65 -3.398 10.967 0.992 1.00 0.00 N ATOM 966 CA GLU A 65 -2.837 12.269 1.336 1.00 0.00 C ATOM 967 C GLU A 65 -1.338 12.162 1.599 1.00 0.00 C ATOM 968 O GLU A 65 -0.865 11.184 2.175 1.00 0.00 O ATOM 969 CB GLU A 65 -3.542 12.843 2.566 1.00 0.00 C ATOM 970 CG GLU A 65 -5.013 12.471 2.655 1.00 0.00 C ATOM 971 CD GLU A 65 -5.722 12.572 1.318 1.00 0.00 C ATOM 972 OE1 GLU A 65 -6.238 13.664 1.002 1.00 0.00 O ATOM 973 OE2 GLU A 65 -5.760 11.559 0.589 1.00 0.00 O ATOM 0 H GLU A 65 -4.291 10.761 1.439 1.00 0.00 H new ATOM 0 HA GLU A 65 -2.993 12.939 0.491 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -3.032 12.492 3.463 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -3.451 13.929 2.552 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -5.104 11.453 3.035 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -5.506 13.125 3.374 1.00 0.00 H new ATOM 980 N GLY A 66 -0.595 13.179 1.171 1.00 0.00 N ATOM 981 CA GLY A 66 0.843 13.180 1.367 1.00 0.00 C ATOM 982 C GLY A 66 1.228 13.248 2.832 1.00 0.00 C ATOM 983 O GLY A 66 2.287 12.759 3.226 1.00 0.00 O ATOM 0 H GLY A 66 -0.963 14.001 0.693 1.00 0.00 H new ATOM 0 HA2 GLY A 66 1.268 12.279 0.924 1.00 0.00 H new ATOM 0 HA3 GLY A 66 1.278 14.029 0.840 1.00 0.00 H new ATOM 987 N ASP A 67 0.367 13.856 3.641 1.00 0.00 N ATOM 988 CA ASP A 67 0.623 13.987 5.070 1.00 0.00 C ATOM 989 C ASP A 67 0.148 12.747 5.823 1.00 0.00 C ATOM 990 O ASP A 67 0.438 12.579 7.007 1.00 0.00 O ATOM 991 CB ASP A 67 -0.073 15.232 5.623 1.00 0.00 C ATOM 992 CG ASP A 67 0.685 16.506 5.310 1.00 0.00 C ATOM 993 OD1 ASP A 67 1.667 16.802 6.022 1.00 0.00 O ATOM 994 OD2 ASP A 67 0.297 17.209 4.353 1.00 0.00 O ATOM 0 H ASP A 67 -0.514 14.266 3.331 1.00 0.00 H new ATOM 0 HA ASP A 67 1.699 14.088 5.213 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -1.078 15.299 5.205 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -0.182 15.134 6.703 1.00 0.00 H new ATOM 999 N ARG A 68 -0.584 11.884 5.127 1.00 0.00 N ATOM 1000 CA ARG A 68 -1.101 10.661 5.730 1.00 0.00 C ATOM 1001 C ARG A 68 -0.151 9.492 5.488 1.00 0.00 C ATOM 1002 O ARG A 68 0.271 9.244 4.358 1.00 0.00 O ATOM 1003 CB ARG A 68 -2.484 10.333 5.163 1.00 0.00 C ATOM 1004 CG ARG A 68 -3.301 9.407 6.049 1.00 0.00 C ATOM 1005 CD ARG A 68 -4.104 10.186 7.078 1.00 0.00 C ATOM 1006 NE ARG A 68 -3.300 10.543 8.244 1.00 0.00 N ATOM 1007 CZ ARG A 68 -3.777 11.211 9.289 1.00 0.00 C ATOM 1008 NH1 ARG A 68 -5.047 11.591 9.314 1.00 0.00 N ATOM 1009 NH2 ARG A 68 -2.983 11.499 10.312 1.00 0.00 N ATOM 0 H ARG A 68 -0.833 12.009 4.146 1.00 0.00 H new ATOM 0 HA ARG A 68 -1.185 10.823 6.805 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -3.036 11.261 5.015 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -2.365 9.873 4.182 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -3.976 8.814 5.432 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -2.637 8.708 6.557 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -4.499 11.092 6.619 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -4.960 9.591 7.396 1.00 0.00 H new ATOM 0 HE ARG A 68 -2.319 10.264 8.257 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -5.661 11.371 8.530 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -5.410 12.104 10.118 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -2.006 11.208 10.297 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -3.350 12.012 11.114 1.00 0.00 H new ATOM 1023 N TYR A 69 0.183 8.778 6.557 1.00 0.00 N ATOM 1024 CA TYR A 69 1.086 7.637 6.463 1.00 0.00 C ATOM 1025 C TYR A 69 0.345 6.332 6.736 1.00 0.00 C ATOM 1026 O TYR A 69 0.961 5.280 6.910 1.00 0.00 O ATOM 1027 CB TYR A 69 2.245 7.794 7.449 1.00 0.00 C ATOM 1028 CG TYR A 69 3.419 8.563 6.885 1.00 0.00 C ATOM 1029 CD1 TYR A 69 3.231 9.560 5.935 1.00 0.00 C ATOM 1030 CD2 TYR A 69 4.716 8.294 7.304 1.00 0.00 C ATOM 1031 CE1 TYR A 69 4.300 10.264 5.418 1.00 0.00 C ATOM 1032 CE2 TYR A 69 5.792 8.995 6.793 1.00 0.00 C ATOM 1033 CZ TYR A 69 5.579 9.978 5.850 1.00 0.00 C ATOM 1034 OH TYR A 69 6.647 10.679 5.337 1.00 0.00 O ATOM 0 H TYR A 69 -0.158 8.969 7.499 1.00 0.00 H new ATOM 0 HA TYR A 69 1.483 7.603 5.448 1.00 0.00 H new ATOM 0 HB2 TYR A 69 1.884 8.302 8.343 1.00 0.00 H new ATOM 0 HB3 TYR A 69 2.584 6.806 7.759 1.00 0.00 H new ATOM 0 HD1 TYR A 69 2.231 9.788 5.595 1.00 0.00 H new ATOM 0 HD2 TYR A 69 4.886 7.524 8.042 1.00 0.00 H new ATOM 0 HE1 TYR A 69 4.136 11.035 4.679 1.00 0.00 H new ATOM 0 HE2 TYR A 69 6.794 8.774 7.130 1.00 0.00 H new ATOM 0 HH TYR A 69 7.113 11.143 6.063 1.00 0.00 H new ATOM 1044 N TRP A 70 -0.980 6.408 6.771 1.00 0.00 N ATOM 1045 CA TRP A 70 -1.807 5.233 7.022 1.00 0.00 C ATOM 1046 C TRP A 70 -2.999 5.193 6.072 1.00 0.00 C ATOM 1047 O TRP A 70 -3.557 6.232 5.717 1.00 0.00 O ATOM 1048 CB TRP A 70 -2.293 5.226 8.472 1.00 0.00 C ATOM 1049 CG TRP A 70 -3.391 6.212 8.734 1.00 0.00 C ATOM 1050 CD1 TRP A 70 -3.262 7.455 9.286 1.00 0.00 C ATOM 1051 CD2 TRP A 70 -4.785 6.036 8.458 1.00 0.00 C ATOM 1052 NE1 TRP A 70 -4.492 8.062 9.369 1.00 0.00 N ATOM 1053 CE2 TRP A 70 -5.442 7.213 8.867 1.00 0.00 C ATOM 1054 CE3 TRP A 70 -5.541 5.001 7.903 1.00 0.00 C ATOM 1055 CZ2 TRP A 70 -6.819 7.379 8.738 1.00 0.00 C ATOM 1056 CZ3 TRP A 70 -6.907 5.167 7.776 1.00 0.00 C ATOM 1057 CH2 TRP A 70 -7.534 6.349 8.192 1.00 0.00 C ATOM 0 H TRP A 70 -1.505 7.271 6.629 1.00 0.00 H new ATOM 0 HA TRP A 70 -1.198 4.346 6.847 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -2.644 4.226 8.725 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -1.453 5.445 9.131 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -2.331 7.896 9.609 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -4.669 8.994 9.744 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -5.066 4.087 7.579 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -7.305 8.289 9.058 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -7.501 4.373 7.349 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -8.603 6.449 8.079 1.00 0.00 H new ATOM 1068 N HIS A 71 -3.386 3.988 5.665 1.00 0.00 N ATOM 1069 CA HIS A 71 -4.513 3.814 4.756 1.00 0.00 C ATOM 1070 C HIS A 71 -5.188 2.464 4.980 1.00 0.00 C ATOM 1071 O HIS A 71 -4.577 1.533 5.506 1.00 0.00 O ATOM 1072 CB HIS A 71 -4.049 3.930 3.304 1.00 0.00 C ATOM 1073 CG HIS A 71 -5.160 3.806 2.308 1.00 0.00 C ATOM 1074 ND1 HIS A 71 -6.089 4.802 2.089 1.00 0.00 N ATOM 1075 CD2 HIS A 71 -5.488 2.797 1.469 1.00 0.00 C ATOM 1076 CE1 HIS A 71 -6.941 4.409 1.159 1.00 0.00 C ATOM 1077 NE2 HIS A 71 -6.598 3.196 0.766 1.00 0.00 N ATOM 0 H HIS A 71 -2.936 3.118 5.950 1.00 0.00 H new ATOM 0 HA HIS A 71 -5.238 4.602 4.961 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -3.554 4.891 3.165 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -3.307 3.157 3.106 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -4.973 1.853 1.370 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -7.776 4.982 0.784 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -7.079 2.645 0.056 1.00 0.00 H new ATOM 1086 N SER A 72 -6.451 2.365 4.579 1.00 0.00 N ATOM 1087 CA SER A 72 -7.210 1.130 4.740 1.00 0.00 C ATOM 1088 C SER A 72 -7.833 0.698 3.416 1.00 0.00 C ATOM 1089 O SER A 72 -8.730 1.361 2.894 1.00 0.00 O ATOM 1090 CB SER A 72 -8.303 1.313 5.795 1.00 0.00 C ATOM 1091 OG SER A 72 -9.196 2.351 5.430 1.00 0.00 O ATOM 0 H SER A 72 -6.971 3.125 4.140 1.00 0.00 H new ATOM 0 HA SER A 72 -6.523 0.351 5.069 1.00 0.00 H new ATOM 0 HB2 SER A 72 -8.855 0.381 5.917 1.00 0.00 H new ATOM 0 HB3 SER A 72 -7.848 1.543 6.758 1.00 0.00 H new ATOM 0 HG SER A 72 -9.346 2.328 4.462 1.00 0.00 H new ATOM 1097 N ILE A 73 -7.350 -0.417 2.878 1.00 0.00 N ATOM 1098 CA ILE A 73 -7.859 -0.938 1.616 1.00 0.00 C ATOM 1099 C ILE A 73 -9.211 -1.617 1.807 1.00 0.00 C ATOM 1100 O ILE A 73 -9.520 -2.115 2.890 1.00 0.00 O ATOM 1101 CB ILE A 73 -6.877 -1.943 0.985 1.00 0.00 C ATOM 1102 CG1 ILE A 73 -5.459 -1.369 0.981 1.00 0.00 C ATOM 1103 CG2 ILE A 73 -7.316 -2.295 -0.429 1.00 0.00 C ATOM 1104 CD1 ILE A 73 -4.383 -2.419 0.810 1.00 0.00 C ATOM 0 H ILE A 73 -6.607 -0.977 3.297 1.00 0.00 H new ATOM 0 HA ILE A 73 -7.974 -0.086 0.946 1.00 0.00 H new ATOM 0 HB ILE A 73 -6.878 -2.855 1.583 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.374 -0.638 0.177 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.289 -0.835 1.916 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -6.612 -3.006 -0.862 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -8.311 -2.740 -0.401 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -7.340 -1.391 -1.038 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -3.404 -1.941 0.816 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -4.442 -3.137 1.628 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -4.528 -2.937 -0.138 1.00 0.00 H new ATOM 1116 N SER A 74 -10.013 -1.636 0.747 1.00 0.00 N ATOM 1117 CA SER A 74 -11.333 -2.253 0.798 1.00 0.00 C ATOM 1118 C SER A 74 -11.657 -2.953 -0.518 1.00 0.00 C ATOM 1119 O SER A 74 -10.875 -2.908 -1.468 1.00 0.00 O ATOM 1120 CB SER A 74 -12.400 -1.199 1.105 1.00 0.00 C ATOM 1121 OG SER A 74 -11.985 -0.345 2.156 1.00 0.00 O ATOM 0 H SER A 74 -9.771 -1.231 -0.158 1.00 0.00 H new ATOM 0 HA SER A 74 -11.328 -2.998 1.594 1.00 0.00 H new ATOM 0 HB2 SER A 74 -12.601 -0.609 0.211 1.00 0.00 H new ATOM 0 HB3 SER A 74 -13.333 -1.691 1.379 1.00 0.00 H new ATOM 0 HG SER A 74 -12.683 0.320 2.332 1.00 0.00 H new ATOM 1127 N HIS A 75 -12.817 -3.600 -0.567 1.00 0.00 N ATOM 1128 CA HIS A 75 -13.246 -4.310 -1.767 1.00 0.00 C ATOM 1129 C HIS A 75 -12.296 -5.461 -2.086 1.00 0.00 C ATOM 1130 O HIS A 75 -11.874 -5.631 -3.231 1.00 0.00 O ATOM 1131 CB HIS A 75 -13.321 -3.350 -2.954 1.00 0.00 C ATOM 1132 CG HIS A 75 -14.044 -2.075 -2.648 1.00 0.00 C ATOM 1133 ND1 HIS A 75 -13.793 -0.890 -3.308 1.00 0.00 N ATOM 1134 CD2 HIS A 75 -15.018 -1.803 -1.748 1.00 0.00 C ATOM 1135 CE1 HIS A 75 -14.579 0.055 -2.826 1.00 0.00 C ATOM 1136 NE2 HIS A 75 -15.333 -0.473 -1.878 1.00 0.00 N ATOM 0 H HIS A 75 -13.476 -3.647 0.210 1.00 0.00 H new ATOM 0 HA HIS A 75 -14.238 -4.722 -1.581 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -12.309 -3.114 -3.284 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -13.819 -3.850 -3.784 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -15.464 -2.502 -1.056 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -14.602 1.085 -3.151 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -16.035 0.026 -1.332 1.00 0.00 H new ATOM 1145 N LEU A 76 -11.963 -6.246 -1.069 1.00 0.00 N ATOM 1146 CA LEU A 76 -11.061 -7.380 -1.241 1.00 0.00 C ATOM 1147 C LEU A 76 -11.788 -8.697 -0.985 1.00 0.00 C ATOM 1148 O LEU A 76 -12.999 -8.715 -0.766 1.00 0.00 O ATOM 1149 CB LEU A 76 -9.864 -7.254 -0.297 1.00 0.00 C ATOM 1150 CG LEU A 76 -9.147 -5.903 -0.301 1.00 0.00 C ATOM 1151 CD1 LEU A 76 -8.513 -5.632 1.055 1.00 0.00 C ATOM 1152 CD2 LEU A 76 -8.096 -5.860 -1.401 1.00 0.00 C ATOM 0 H LEU A 76 -12.304 -6.119 -0.116 1.00 0.00 H new ATOM 0 HA LEU A 76 -10.705 -7.376 -2.271 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -10.204 -7.460 0.718 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -9.141 -8.028 -0.554 1.00 0.00 H new ATOM 0 HG LEU A 76 -9.883 -5.123 -0.498 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -8.007 -4.667 1.034 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -9.287 -5.619 1.822 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -7.790 -6.415 1.282 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -7.596 -4.891 -1.389 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -7.363 -6.649 -1.235 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -8.576 -6.009 -2.368 1.00 0.00 H new ATOM 1164 N GLN A 77 -11.039 -9.795 -1.013 1.00 0.00 N ATOM 1165 CA GLN A 77 -11.613 -11.116 -0.782 1.00 0.00 C ATOM 1166 C GLN A 77 -11.362 -11.576 0.650 1.00 0.00 C ATOM 1167 O GLN A 77 -10.315 -11.308 1.240 1.00 0.00 O ATOM 1168 CB GLN A 77 -11.025 -12.129 -1.766 1.00 0.00 C ATOM 1169 CG GLN A 77 -11.247 -11.760 -3.224 1.00 0.00 C ATOM 1170 CD GLN A 77 -10.196 -12.353 -4.142 1.00 0.00 C ATOM 1171 OE1 GLN A 77 -9.574 -13.366 -3.820 1.00 0.00 O ATOM 1172 NE2 GLN A 77 -9.993 -11.724 -5.294 1.00 0.00 N ATOM 0 H GLN A 77 -10.035 -9.796 -1.193 1.00 0.00 H new ATOM 0 HA GLN A 77 -12.690 -11.049 -0.939 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -9.955 -12.222 -1.582 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -11.467 -13.107 -1.576 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -12.233 -12.105 -3.536 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -11.242 -10.675 -3.325 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -10.531 -10.888 -5.520 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -9.299 -12.077 -5.953 1.00 0.00 H new ATOM 1181 N PRO A 78 -12.345 -12.284 1.225 1.00 0.00 N ATOM 1182 CA PRO A 78 -12.254 -12.796 2.596 1.00 0.00 C ATOM 1183 C PRO A 78 -11.233 -13.921 2.728 1.00 0.00 C ATOM 1184 O PRO A 78 -11.003 -14.676 1.784 1.00 0.00 O ATOM 1185 CB PRO A 78 -13.665 -13.320 2.873 1.00 0.00 C ATOM 1186 CG PRO A 78 -14.221 -13.642 1.529 1.00 0.00 C ATOM 1187 CD PRO A 78 -13.621 -12.640 0.582 1.00 0.00 C ATOM 0 HA PRO A 78 -11.924 -12.029 3.296 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -13.641 -14.202 3.513 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -14.272 -12.572 3.383 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -13.965 -14.660 1.234 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -15.309 -13.575 1.530 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -13.466 -13.066 -0.409 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -14.265 -11.769 0.457 1.00 0.00 H new ATOM 1195 N GLU A 79 -10.624 -14.026 3.905 1.00 0.00 N ATOM 1196 CA GLU A 79 -9.627 -15.060 4.158 1.00 0.00 C ATOM 1197 C GLU A 79 -8.813 -15.351 2.901 1.00 0.00 C ATOM 1198 O GLU A 79 -8.575 -16.509 2.555 1.00 0.00 O ATOM 1199 CB GLU A 79 -10.302 -16.341 4.651 1.00 0.00 C ATOM 1200 CG GLU A 79 -11.707 -16.537 4.106 1.00 0.00 C ATOM 1201 CD GLU A 79 -12.221 -17.948 4.312 1.00 0.00 C ATOM 1202 OE1 GLU A 79 -12.113 -18.459 5.447 1.00 0.00 O ATOM 1203 OE2 GLU A 79 -12.731 -18.542 3.339 1.00 0.00 O ATOM 0 H GLU A 79 -10.803 -13.409 4.697 1.00 0.00 H new ATOM 0 HA GLU A 79 -8.950 -14.695 4.931 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -9.689 -17.197 4.368 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -10.343 -16.324 5.740 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -12.383 -15.834 4.592 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -11.716 -16.303 3.041 1.00 0.00 H new ATOM 1210 N THR A 80 -8.389 -14.292 2.218 1.00 0.00 N ATOM 1211 CA THR A 80 -7.604 -14.433 0.998 1.00 0.00 C ATOM 1212 C THR A 80 -6.214 -13.831 1.167 1.00 0.00 C ATOM 1213 O THR A 80 -6.060 -12.612 1.243 1.00 0.00 O ATOM 1214 CB THR A 80 -8.301 -13.759 -0.199 1.00 0.00 C ATOM 1215 OG1 THR A 80 -9.695 -14.087 -0.202 1.00 0.00 O ATOM 1216 CG2 THR A 80 -7.669 -14.198 -1.511 1.00 0.00 C ATOM 0 H THR A 80 -8.576 -13.327 2.489 1.00 0.00 H new ATOM 0 HA THR A 80 -7.513 -15.501 0.802 1.00 0.00 H new ATOM 0 HB THR A 80 -8.182 -12.680 -0.100 1.00 0.00 H new ATOM 0 HG1 THR A 80 -9.882 -14.727 0.516 1.00 0.00 H new ATOM 0 HG21 THR A 80 -8.178 -13.709 -2.342 1.00 0.00 H new ATOM 0 HG22 THR A 80 -6.615 -13.921 -1.518 1.00 0.00 H new ATOM 0 HG23 THR A 80 -7.761 -15.279 -1.615 1.00 0.00 H new ATOM 1224 N SER A 81 -5.204 -14.693 1.222 1.00 0.00 N ATOM 1225 CA SER A 81 -3.825 -14.246 1.385 1.00 0.00 C ATOM 1226 C SER A 81 -3.251 -13.764 0.056 1.00 0.00 C ATOM 1227 O SER A 81 -3.010 -14.558 -0.853 1.00 0.00 O ATOM 1228 CB SER A 81 -2.963 -15.378 1.946 1.00 0.00 C ATOM 1229 OG SER A 81 -1.879 -14.867 2.703 1.00 0.00 O ATOM 0 H SER A 81 -5.314 -15.705 1.156 1.00 0.00 H new ATOM 0 HA SER A 81 -3.819 -13.413 2.088 1.00 0.00 H new ATOM 0 HB2 SER A 81 -3.574 -16.028 2.573 1.00 0.00 H new ATOM 0 HB3 SER A 81 -2.583 -15.990 1.128 1.00 0.00 H new ATOM 0 HG SER A 81 -1.344 -15.611 3.052 1.00 0.00 H new ATOM 1235 N TYR A 82 -3.033 -12.458 -0.047 1.00 0.00 N ATOM 1236 CA TYR A 82 -2.489 -11.868 -1.265 1.00 0.00 C ATOM 1237 C TYR A 82 -1.385 -10.866 -0.938 1.00 0.00 C ATOM 1238 O TYR A 82 -1.362 -10.283 0.145 1.00 0.00 O ATOM 1239 CB TYR A 82 -3.598 -11.179 -2.062 1.00 0.00 C ATOM 1240 CG TYR A 82 -4.530 -10.348 -1.211 1.00 0.00 C ATOM 1241 CD1 TYR A 82 -4.103 -9.155 -0.640 1.00 0.00 C ATOM 1242 CD2 TYR A 82 -5.838 -10.756 -0.975 1.00 0.00 C ATOM 1243 CE1 TYR A 82 -4.951 -8.393 0.140 1.00 0.00 C ATOM 1244 CE2 TYR A 82 -6.693 -9.999 -0.198 1.00 0.00 C ATOM 1245 CZ TYR A 82 -6.245 -8.818 0.357 1.00 0.00 C ATOM 1246 OH TYR A 82 -7.094 -8.062 1.133 1.00 0.00 O ATOM 0 H TYR A 82 -3.224 -11.788 0.698 1.00 0.00 H new ATOM 0 HA TYR A 82 -2.062 -12.669 -1.868 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -3.145 -10.540 -2.820 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -4.179 -11.936 -2.589 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -3.091 -8.818 -0.809 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -6.192 -11.681 -1.407 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -4.603 -7.469 0.578 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -7.707 -10.330 -0.026 1.00 0.00 H new ATOM 0 HH TYR A 82 -8.000 -8.433 1.083 1.00 0.00 H new ATOM 1256 N ASP A 83 -0.473 -10.672 -1.885 1.00 0.00 N ATOM 1257 CA ASP A 83 0.633 -9.741 -1.700 1.00 0.00 C ATOM 1258 C ASP A 83 0.143 -8.297 -1.755 1.00 0.00 C ATOM 1259 O ASP A 83 -0.819 -7.984 -2.457 1.00 0.00 O ATOM 1260 CB ASP A 83 1.704 -9.969 -2.769 1.00 0.00 C ATOM 1261 CG ASP A 83 2.390 -11.313 -2.622 1.00 0.00 C ATOM 1262 OD1 ASP A 83 1.874 -12.306 -3.177 1.00 0.00 O ATOM 1263 OD2 ASP A 83 3.442 -11.373 -1.951 1.00 0.00 O ATOM 0 H ASP A 83 -0.478 -11.147 -2.788 1.00 0.00 H new ATOM 0 HA ASP A 83 1.067 -9.922 -0.717 1.00 0.00 H new ATOM 0 HB2 ASP A 83 1.248 -9.903 -3.757 1.00 0.00 H new ATOM 0 HB3 ASP A 83 2.449 -9.175 -2.708 1.00 0.00 H new ATOM 1268 N ILE A 84 0.810 -7.422 -1.010 1.00 0.00 N ATOM 1269 CA ILE A 84 0.441 -6.013 -0.974 1.00 0.00 C ATOM 1270 C ILE A 84 1.677 -5.120 -1.031 1.00 0.00 C ATOM 1271 O ILE A 84 2.672 -5.373 -0.351 1.00 0.00 O ATOM 1272 CB ILE A 84 -0.365 -5.673 0.294 1.00 0.00 C ATOM 1273 CG1 ILE A 84 -1.652 -6.500 0.343 1.00 0.00 C ATOM 1274 CG2 ILE A 84 -0.682 -4.186 0.338 1.00 0.00 C ATOM 1275 CD1 ILE A 84 -2.164 -6.738 1.746 1.00 0.00 C ATOM 0 H ILE A 84 1.609 -7.664 -0.423 1.00 0.00 H new ATOM 0 HA ILE A 84 -0.181 -5.828 -1.850 1.00 0.00 H new ATOM 0 HB ILE A 84 0.238 -5.921 1.168 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -2.423 -5.991 -0.235 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -1.475 -7.462 -0.138 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -1.252 -3.962 1.240 1.00 0.00 H new ATOM 0 HG22 ILE A 84 0.247 -3.616 0.345 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.269 -3.913 -0.539 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -3.078 -7.330 1.704 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -1.410 -7.274 2.322 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -2.373 -5.781 2.224 1.00 0.00 H new ATOM 1287 N LYS A 85 1.606 -4.073 -1.846 1.00 0.00 N ATOM 1288 CA LYS A 85 2.716 -3.139 -1.991 1.00 0.00 C ATOM 1289 C LYS A 85 2.208 -1.731 -2.281 1.00 0.00 C ATOM 1290 O LYS A 85 1.038 -1.538 -2.608 1.00 0.00 O ATOM 1291 CB LYS A 85 3.651 -3.597 -3.112 1.00 0.00 C ATOM 1292 CG LYS A 85 3.076 -3.397 -4.504 1.00 0.00 C ATOM 1293 CD LYS A 85 4.139 -3.563 -5.576 1.00 0.00 C ATOM 1294 CE LYS A 85 3.518 -3.806 -6.944 1.00 0.00 C ATOM 1295 NZ LYS A 85 4.422 -4.587 -7.833 1.00 0.00 N ATOM 0 H LYS A 85 0.791 -3.850 -2.417 1.00 0.00 H new ATOM 0 HA LYS A 85 3.268 -3.120 -1.051 1.00 0.00 H new ATOM 0 HB2 LYS A 85 4.592 -3.052 -3.035 1.00 0.00 H new ATOM 0 HB3 LYS A 85 3.882 -4.653 -2.972 1.00 0.00 H new ATOM 0 HG2 LYS A 85 2.273 -4.114 -4.673 1.00 0.00 H new ATOM 0 HG3 LYS A 85 2.636 -2.402 -4.577 1.00 0.00 H new ATOM 0 HD2 LYS A 85 4.763 -2.670 -5.612 1.00 0.00 H new ATOM 0 HD3 LYS A 85 4.791 -4.398 -5.318 1.00 0.00 H new ATOM 0 HE2 LYS A 85 2.575 -4.340 -6.825 1.00 0.00 H new ATOM 0 HE3 LYS A 85 3.286 -2.850 -7.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 3.855 -5.114 -8.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 5.065 -3.938 -8.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 4.978 -5.255 -7.262 1.00 0.00 H new ATOM 1309 N MET A 86 3.097 -0.750 -2.161 1.00 0.00 N ATOM 1310 CA MET A 86 2.738 0.641 -2.413 1.00 0.00 C ATOM 1311 C MET A 86 3.929 1.419 -2.963 1.00 0.00 C ATOM 1312 O MET A 86 5.028 0.879 -3.091 1.00 0.00 O ATOM 1313 CB MET A 86 2.232 1.301 -1.129 1.00 0.00 C ATOM 1314 CG MET A 86 3.225 1.233 0.020 1.00 0.00 C ATOM 1315 SD MET A 86 2.762 2.296 1.401 1.00 0.00 S ATOM 1316 CE MET A 86 2.581 3.872 0.569 1.00 0.00 C ATOM 0 H MET A 86 4.070 -0.892 -1.891 1.00 0.00 H new ATOM 0 HA MET A 86 1.942 0.655 -3.158 1.00 0.00 H new ATOM 0 HB2 MET A 86 1.998 2.345 -1.335 1.00 0.00 H new ATOM 0 HB3 MET A 86 1.303 0.820 -0.824 1.00 0.00 H new ATOM 0 HG2 MET A 86 3.301 0.203 0.369 1.00 0.00 H new ATOM 0 HG3 MET A 86 4.212 1.521 -0.341 1.00 0.00 H new ATOM 0 HE1 MET A 86 2.991 4.664 1.196 1.00 0.00 H new ATOM 0 HE2 MET A 86 3.117 3.846 -0.380 1.00 0.00 H new ATOM 0 HE3 MET A 86 1.525 4.066 0.384 1.00 0.00 H new ATOM 1326 N GLN A 87 3.704 2.688 -3.287 1.00 0.00 N ATOM 1327 CA GLN A 87 4.759 3.538 -3.824 1.00 0.00 C ATOM 1328 C GLN A 87 4.344 5.006 -3.795 1.00 0.00 C ATOM 1329 O GLN A 87 3.190 5.340 -4.066 1.00 0.00 O ATOM 1330 CB GLN A 87 5.101 3.121 -5.256 1.00 0.00 C ATOM 1331 CG GLN A 87 6.044 4.082 -5.961 1.00 0.00 C ATOM 1332 CD GLN A 87 5.824 4.119 -7.461 1.00 0.00 C ATOM 1333 OE1 GLN A 87 6.583 3.524 -8.226 1.00 0.00 O ATOM 1334 NE2 GLN A 87 4.781 4.821 -7.889 1.00 0.00 N ATOM 0 H GLN A 87 2.800 3.150 -3.187 1.00 0.00 H new ATOM 0 HA GLN A 87 5.642 3.416 -3.197 1.00 0.00 H new ATOM 0 HB2 GLN A 87 5.553 2.129 -5.239 1.00 0.00 H new ATOM 0 HB3 GLN A 87 4.179 3.041 -5.832 1.00 0.00 H new ATOM 0 HG2 GLN A 87 5.908 5.084 -5.553 1.00 0.00 H new ATOM 0 HG3 GLN A 87 7.074 3.791 -5.756 1.00 0.00 H new ATOM 0 HE21 GLN A 87 4.178 5.298 -7.219 1.00 0.00 H new ATOM 0 HE22 GLN A 87 4.583 4.883 -8.888 1.00 0.00 H new ATOM 1343 N CYS A 88 5.291 5.877 -3.465 1.00 0.00 N ATOM 1344 CA CYS A 88 5.023 7.309 -3.399 1.00 0.00 C ATOM 1345 C CYS A 88 5.343 7.983 -4.730 1.00 0.00 C ATOM 1346 O CYS A 88 6.078 7.438 -5.553 1.00 0.00 O ATOM 1347 CB CYS A 88 5.842 7.951 -2.279 1.00 0.00 C ATOM 1348 SG CYS A 88 7.583 8.210 -2.691 1.00 0.00 S ATOM 0 H CYS A 88 6.251 5.617 -3.239 1.00 0.00 H new ATOM 0 HA CYS A 88 3.962 7.446 -3.188 1.00 0.00 H new ATOM 0 HB2 CYS A 88 5.394 8.911 -2.021 1.00 0.00 H new ATOM 0 HB3 CYS A 88 5.780 7.321 -1.391 1.00 0.00 H new ATOM 0 HG CYS A 88 8.191 8.759 -1.682 1.00 0.00 H new ATOM 1354 N PHE A 89 4.784 9.172 -4.934 1.00 0.00 N ATOM 1355 CA PHE A 89 5.007 9.920 -6.166 1.00 0.00 C ATOM 1356 C PHE A 89 4.960 11.422 -5.905 1.00 0.00 C ATOM 1357 O PHE A 89 4.468 11.868 -4.870 1.00 0.00 O ATOM 1358 CB PHE A 89 3.960 9.539 -7.215 1.00 0.00 C ATOM 1359 CG PHE A 89 2.599 10.109 -6.937 1.00 0.00 C ATOM 1360 CD1 PHE A 89 1.814 9.598 -5.916 1.00 0.00 C ATOM 1361 CD2 PHE A 89 2.103 11.157 -7.697 1.00 0.00 C ATOM 1362 CE1 PHE A 89 0.561 10.120 -5.658 1.00 0.00 C ATOM 1363 CE2 PHE A 89 0.851 11.683 -7.443 1.00 0.00 C ATOM 1364 CZ PHE A 89 0.078 11.163 -6.423 1.00 0.00 C ATOM 0 H PHE A 89 4.174 9.638 -4.262 1.00 0.00 H new ATOM 0 HA PHE A 89 5.998 9.666 -6.543 1.00 0.00 H new ATOM 0 HB2 PHE A 89 4.296 9.882 -8.194 1.00 0.00 H new ATOM 0 HB3 PHE A 89 3.887 8.453 -7.266 1.00 0.00 H new ATOM 0 HD1 PHE A 89 2.186 8.782 -5.315 1.00 0.00 H new ATOM 0 HD2 PHE A 89 2.702 11.567 -8.497 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -0.040 9.713 -4.859 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.477 12.500 -8.042 1.00 0.00 H new ATOM 0 HZ PHE A 89 -0.902 11.571 -6.224 1.00 0.00 H new ATOM 1374 N ASN A 90 5.477 12.198 -6.853 1.00 0.00 N ATOM 1375 CA ASN A 90 5.495 13.650 -6.727 1.00 0.00 C ATOM 1376 C ASN A 90 5.739 14.311 -8.080 1.00 0.00 C ATOM 1377 O ASN A 90 6.048 13.638 -9.063 1.00 0.00 O ATOM 1378 CB ASN A 90 6.576 14.083 -5.734 1.00 0.00 C ATOM 1379 CG ASN A 90 7.936 14.232 -6.387 1.00 0.00 C ATOM 1380 OD1 ASN A 90 8.203 13.638 -7.432 1.00 0.00 O ATOM 1381 ND2 ASN A 90 8.803 15.029 -5.774 1.00 0.00 N ATOM 0 H ASN A 90 5.889 11.845 -7.717 1.00 0.00 H new ATOM 0 HA ASN A 90 4.521 13.969 -6.357 1.00 0.00 H new ATOM 0 HB2 ASN A 90 6.289 15.031 -5.279 1.00 0.00 H new ATOM 0 HB3 ASN A 90 6.641 13.350 -4.930 1.00 0.00 H new ATOM 0 HD21 ASN A 90 9.734 15.169 -6.168 1.00 0.00 H new ATOM 0 HD22 ASN A 90 8.539 15.501 -4.909 1.00 0.00 H new ATOM 1388 N GLU A 91 5.599 15.632 -8.121 1.00 0.00 N ATOM 1389 CA GLU A 91 5.803 16.384 -9.354 1.00 0.00 C ATOM 1390 C GLU A 91 6.986 15.826 -10.141 1.00 0.00 C ATOM 1391 O GLU A 91 6.962 15.780 -11.370 1.00 0.00 O ATOM 1392 CB GLU A 91 6.036 17.864 -9.043 1.00 0.00 C ATOM 1393 CG GLU A 91 7.281 18.123 -8.212 1.00 0.00 C ATOM 1394 CD GLU A 91 7.251 19.473 -7.522 1.00 0.00 C ATOM 1395 OE1 GLU A 91 6.783 20.448 -8.146 1.00 0.00 O ATOM 1396 OE2 GLU A 91 7.696 19.554 -6.358 1.00 0.00 O ATOM 0 H GLU A 91 5.345 16.204 -7.315 1.00 0.00 H new ATOM 0 HA GLU A 91 4.904 16.286 -9.963 1.00 0.00 H new ATOM 0 HB2 GLU A 91 6.114 18.416 -9.980 1.00 0.00 H new ATOM 0 HB3 GLU A 91 5.168 18.256 -8.513 1.00 0.00 H new ATOM 0 HG2 GLU A 91 7.383 17.338 -7.462 1.00 0.00 H new ATOM 0 HG3 GLU A 91 8.160 18.067 -8.854 1.00 0.00 H new ATOM 1403 N GLY A 92 8.022 15.404 -9.422 1.00 0.00 N ATOM 1404 CA GLY A 92 9.200 14.856 -10.068 1.00 0.00 C ATOM 1405 C GLY A 92 8.923 13.532 -10.753 1.00 0.00 C ATOM 1406 O GLY A 92 9.344 13.312 -11.887 1.00 0.00 O ATOM 0 H GLY A 92 8.066 15.432 -8.403 1.00 0.00 H new ATOM 0 HA2 GLY A 92 9.573 15.570 -10.802 1.00 0.00 H new ATOM 0 HA3 GLY A 92 9.987 14.720 -9.326 1.00 0.00 H new ATOM 1410 N GLY A 93 8.213 12.646 -10.060 1.00 0.00 N ATOM 1411 CA GLY A 93 7.894 11.348 -10.624 1.00 0.00 C ATOM 1412 C GLY A 93 7.560 10.320 -9.561 1.00 0.00 C ATOM 1413 O GLY A 93 7.453 10.652 -8.381 1.00 0.00 O ATOM 0 H GLY A 93 7.854 12.804 -9.119 1.00 0.00 H new ATOM 0 HA2 GLY A 93 7.049 11.449 -11.305 1.00 0.00 H new ATOM 0 HA3 GLY A 93 8.739 10.994 -11.214 1.00 0.00 H new ATOM 1417 N GLU A 94 7.395 9.069 -9.980 1.00 0.00 N ATOM 1418 CA GLU A 94 7.069 7.991 -9.054 1.00 0.00 C ATOM 1419 C GLU A 94 8.336 7.368 -8.477 1.00 0.00 C ATOM 1420 O GLU A 94 9.329 7.187 -9.182 1.00 0.00 O ATOM 1421 CB GLU A 94 6.235 6.919 -9.758 1.00 0.00 C ATOM 1422 CG GLU A 94 4.778 7.306 -9.945 1.00 0.00 C ATOM 1423 CD GLU A 94 4.104 6.525 -11.056 1.00 0.00 C ATOM 1424 OE1 GLU A 94 4.536 6.655 -12.220 1.00 0.00 O ATOM 1425 OE2 GLU A 94 3.144 5.782 -10.761 1.00 0.00 O ATOM 0 H GLU A 94 7.482 8.778 -10.954 1.00 0.00 H new ATOM 0 HA GLU A 94 6.487 8.414 -8.235 1.00 0.00 H new ATOM 0 HB2 GLU A 94 6.675 6.711 -10.733 1.00 0.00 H new ATOM 0 HB3 GLU A 94 6.286 5.995 -9.182 1.00 0.00 H new ATOM 0 HG2 GLU A 94 4.240 7.141 -9.012 1.00 0.00 H new ATOM 0 HG3 GLU A 94 4.715 8.372 -10.165 1.00 0.00 H new ATOM 1432 N SER A 95 8.295 7.042 -7.189 1.00 0.00 N ATOM 1433 CA SER A 95 9.441 6.443 -6.514 1.00 0.00 C ATOM 1434 C SER A 95 9.523 4.948 -6.807 1.00 0.00 C ATOM 1435 O SER A 95 8.732 4.413 -7.583 1.00 0.00 O ATOM 1436 CB SER A 95 9.350 6.675 -5.005 1.00 0.00 C ATOM 1437 OG SER A 95 8.345 5.863 -4.424 1.00 0.00 O ATOM 0 H SER A 95 7.480 7.183 -6.592 1.00 0.00 H new ATOM 0 HA SER A 95 10.345 6.920 -6.893 1.00 0.00 H new ATOM 0 HB2 SER A 95 10.312 6.456 -4.542 1.00 0.00 H new ATOM 0 HB3 SER A 95 9.133 7.725 -4.808 1.00 0.00 H new ATOM 0 HG SER A 95 7.957 6.325 -3.652 1.00 0.00 H new ATOM 1443 N GLU A 96 10.486 4.281 -6.179 1.00 0.00 N ATOM 1444 CA GLU A 96 10.672 2.847 -6.372 1.00 0.00 C ATOM 1445 C GLU A 96 9.502 2.063 -5.786 1.00 0.00 C ATOM 1446 O GLU A 96 8.737 2.582 -4.973 1.00 0.00 O ATOM 1447 CB GLU A 96 11.982 2.389 -5.728 1.00 0.00 C ATOM 1448 CG GLU A 96 13.207 3.114 -6.259 1.00 0.00 C ATOM 1449 CD GLU A 96 14.489 2.665 -5.584 1.00 0.00 C ATOM 1450 OE1 GLU A 96 14.651 2.939 -4.376 1.00 0.00 O ATOM 1451 OE2 GLU A 96 15.330 2.040 -6.263 1.00 0.00 O ATOM 0 H GLU A 96 11.149 4.710 -5.533 1.00 0.00 H new ATOM 0 HA GLU A 96 10.716 2.653 -7.444 1.00 0.00 H new ATOM 0 HB2 GLU A 96 11.920 2.540 -4.650 1.00 0.00 H new ATOM 0 HB3 GLU A 96 12.104 1.319 -5.893 1.00 0.00 H new ATOM 0 HG2 GLU A 96 13.288 2.945 -7.333 1.00 0.00 H new ATOM 0 HG3 GLU A 96 13.081 4.187 -6.114 1.00 0.00 H new ATOM 1458 N PHE A 97 9.370 0.808 -6.203 1.00 0.00 N ATOM 1459 CA PHE A 97 8.293 -0.049 -5.721 1.00 0.00 C ATOM 1460 C PHE A 97 8.589 -0.553 -4.311 1.00 0.00 C ATOM 1461 O PHE A 97 9.531 -1.316 -4.098 1.00 0.00 O ATOM 1462 CB PHE A 97 8.094 -1.235 -6.667 1.00 0.00 C ATOM 1463 CG PHE A 97 7.156 -0.943 -7.804 1.00 0.00 C ATOM 1464 CD1 PHE A 97 7.397 0.116 -8.664 1.00 0.00 C ATOM 1465 CD2 PHE A 97 6.034 -1.729 -8.013 1.00 0.00 C ATOM 1466 CE1 PHE A 97 6.536 0.387 -9.711 1.00 0.00 C ATOM 1467 CE2 PHE A 97 5.171 -1.464 -9.059 1.00 0.00 C ATOM 1468 CZ PHE A 97 5.421 -0.404 -9.908 1.00 0.00 C ATOM 0 H PHE A 97 9.996 0.362 -6.874 1.00 0.00 H new ATOM 0 HA PHE A 97 7.377 0.542 -5.692 1.00 0.00 H new ATOM 0 HB2 PHE A 97 9.061 -1.533 -7.072 1.00 0.00 H new ATOM 0 HB3 PHE A 97 7.711 -2.083 -6.099 1.00 0.00 H new ATOM 0 HD1 PHE A 97 8.268 0.737 -8.515 1.00 0.00 H new ATOM 0 HD2 PHE A 97 5.832 -2.558 -7.351 1.00 0.00 H new ATOM 0 HE1 PHE A 97 6.735 1.216 -10.374 1.00 0.00 H new ATOM 0 HE2 PHE A 97 4.301 -2.086 -9.213 1.00 0.00 H new ATOM 0 HZ PHE A 97 4.746 -0.194 -10.724 1.00 0.00 H new ATOM 1478 N SER A 98 7.778 -0.119 -3.352 1.00 0.00 N ATOM 1479 CA SER A 98 7.954 -0.522 -1.962 1.00 0.00 C ATOM 1480 C SER A 98 8.014 -2.041 -1.840 1.00 0.00 C ATOM 1481 O SER A 98 7.669 -2.764 -2.774 1.00 0.00 O ATOM 1482 CB SER A 98 6.814 0.026 -1.101 1.00 0.00 C ATOM 1483 OG SER A 98 5.671 -0.809 -1.177 1.00 0.00 O ATOM 0 H SER A 98 6.993 0.512 -3.512 1.00 0.00 H new ATOM 0 HA SER A 98 8.898 -0.109 -1.607 1.00 0.00 H new ATOM 0 HB2 SER A 98 7.142 0.105 -0.065 1.00 0.00 H new ATOM 0 HB3 SER A 98 6.556 1.032 -1.431 1.00 0.00 H new ATOM 0 HG SER A 98 5.172 -0.758 -0.335 1.00 0.00 H new ATOM 1489 N ASN A 99 8.454 -2.519 -0.680 1.00 0.00 N ATOM 1490 CA ASN A 99 8.560 -3.952 -0.435 1.00 0.00 C ATOM 1491 C ASN A 99 7.213 -4.640 -0.635 1.00 0.00 C ATOM 1492 O ASN A 99 6.198 -3.984 -0.872 1.00 0.00 O ATOM 1493 CB ASN A 99 9.071 -4.211 0.984 1.00 0.00 C ATOM 1494 CG ASN A 99 8.448 -3.277 2.003 1.00 0.00 C ATOM 1495 OD1 ASN A 99 8.455 -2.058 1.830 1.00 0.00 O ATOM 1496 ND2 ASN A 99 7.905 -3.846 3.073 1.00 0.00 N ATOM 0 H ASN A 99 8.743 -1.934 0.104 1.00 0.00 H new ATOM 0 HA ASN A 99 9.269 -4.366 -1.152 1.00 0.00 H new ATOM 0 HB2 ASN A 99 8.856 -5.243 1.262 1.00 0.00 H new ATOM 0 HB3 ASN A 99 10.155 -4.095 1.004 1.00 0.00 H new ATOM 0 HD21 ASN A 99 7.471 -3.268 3.793 1.00 0.00 H new ATOM 0 HD22 ASN A 99 7.922 -4.861 3.175 1.00 0.00 H new ATOM 1503 N VAL A 100 7.211 -5.966 -0.538 1.00 0.00 N ATOM 1504 CA VAL A 100 5.989 -6.742 -0.707 1.00 0.00 C ATOM 1505 C VAL A 100 5.545 -7.364 0.613 1.00 0.00 C ATOM 1506 O VAL A 100 6.212 -8.248 1.149 1.00 0.00 O ATOM 1507 CB VAL A 100 6.174 -7.860 -1.751 1.00 0.00 C ATOM 1508 CG1 VAL A 100 4.869 -8.612 -1.966 1.00 0.00 C ATOM 1509 CG2 VAL A 100 6.688 -7.284 -3.062 1.00 0.00 C ATOM 0 H VAL A 100 8.042 -6.525 -0.343 1.00 0.00 H new ATOM 0 HA VAL A 100 5.222 -6.051 -1.056 1.00 0.00 H new ATOM 0 HB VAL A 100 6.914 -8.566 -1.374 1.00 0.00 H new ATOM 0 HG11 VAL A 100 5.019 -9.398 -2.707 1.00 0.00 H new ATOM 0 HG12 VAL A 100 4.546 -9.057 -1.025 1.00 0.00 H new ATOM 0 HG13 VAL A 100 4.105 -7.920 -2.321 1.00 0.00 H new ATOM 0 HG21 VAL A 100 6.813 -8.087 -3.788 1.00 0.00 H new ATOM 0 HG22 VAL A 100 5.972 -6.557 -3.445 1.00 0.00 H new ATOM 0 HG23 VAL A 100 7.647 -6.795 -2.893 1.00 0.00 H new ATOM 1519 N MET A 101 4.415 -6.894 1.131 1.00 0.00 N ATOM 1520 CA MET A 101 3.882 -7.405 2.388 1.00 0.00 C ATOM 1521 C MET A 101 2.647 -8.268 2.144 1.00 0.00 C ATOM 1522 O MET A 101 1.732 -7.868 1.424 1.00 0.00 O ATOM 1523 CB MET A 101 3.533 -6.249 3.327 1.00 0.00 C ATOM 1524 CG MET A 101 4.708 -5.331 3.624 1.00 0.00 C ATOM 1525 SD MET A 101 5.884 -6.061 4.779 1.00 0.00 S ATOM 1526 CE MET A 101 5.242 -5.461 6.340 1.00 0.00 C ATOM 0 H MET A 101 3.851 -6.161 0.700 1.00 0.00 H new ATOM 0 HA MET A 101 4.649 -8.023 2.854 1.00 0.00 H new ATOM 0 HB2 MET A 101 2.727 -5.663 2.885 1.00 0.00 H new ATOM 0 HB3 MET A 101 3.154 -6.655 4.265 1.00 0.00 H new ATOM 0 HG2 MET A 101 5.221 -5.091 2.693 1.00 0.00 H new ATOM 0 HG3 MET A 101 4.336 -4.392 4.035 1.00 0.00 H new ATOM 0 HE1 MET A 101 5.158 -6.291 7.042 1.00 0.00 H new ATOM 0 HE2 MET A 101 5.918 -4.709 6.747 1.00 0.00 H new ATOM 0 HE3 MET A 101 4.259 -5.018 6.183 1.00 0.00 H new ATOM 1536 N ILE A 102 2.629 -9.451 2.748 1.00 0.00 N ATOM 1537 CA ILE A 102 1.507 -10.369 2.596 1.00 0.00 C ATOM 1538 C ILE A 102 0.587 -10.318 3.811 1.00 0.00 C ATOM 1539 O ILE A 102 0.881 -10.911 4.850 1.00 0.00 O ATOM 1540 CB ILE A 102 1.988 -11.817 2.391 1.00 0.00 C ATOM 1541 CG1 ILE A 102 2.760 -11.940 1.075 1.00 0.00 C ATOM 1542 CG2 ILE A 102 0.806 -12.775 2.408 1.00 0.00 C ATOM 1543 CD1 ILE A 102 3.485 -13.258 0.920 1.00 0.00 C ATOM 0 H ILE A 102 3.379 -9.796 3.347 1.00 0.00 H new ATOM 0 HA ILE A 102 0.956 -10.050 1.712 1.00 0.00 H new ATOM 0 HB ILE A 102 2.657 -12.081 3.210 1.00 0.00 H new ATOM 0 HG12 ILE A 102 2.066 -11.816 0.243 1.00 0.00 H new ATOM 0 HG13 ILE A 102 3.483 -11.127 1.010 1.00 0.00 H new ATOM 0 HG21 ILE A 102 1.162 -13.795 2.262 1.00 0.00 H new ATOM 0 HG22 ILE A 102 0.294 -12.704 3.367 1.00 0.00 H new ATOM 0 HG23 ILE A 102 0.114 -12.514 1.607 1.00 0.00 H new ATOM 0 HD11 ILE A 102 4.010 -13.274 -0.035 1.00 0.00 H new ATOM 0 HD12 ILE A 102 4.204 -13.376 1.731 1.00 0.00 H new ATOM 0 HD13 ILE A 102 2.765 -14.075 0.952 1.00 0.00 H new ATOM 1555 N CYS A 103 -0.527 -9.608 3.674 1.00 0.00 N ATOM 1556 CA CYS A 103 -1.491 -9.480 4.761 1.00 0.00 C ATOM 1557 C CYS A 103 -2.760 -10.271 4.457 1.00 0.00 C ATOM 1558 O CYS A 103 -3.503 -9.940 3.534 1.00 0.00 O ATOM 1559 CB CYS A 103 -1.837 -8.009 4.994 1.00 0.00 C ATOM 1560 SG CYS A 103 -2.742 -7.697 6.527 1.00 0.00 S ATOM 0 H CYS A 103 -0.785 -9.112 2.821 1.00 0.00 H new ATOM 0 HA CYS A 103 -1.038 -9.886 5.665 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -0.915 -7.427 5.004 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -2.432 -7.649 4.154 1.00 0.00 H new ATOM 0 HG CYS A 103 -2.802 -6.416 6.743 1.00 0.00 H new ATOM 1566 N GLU A 104 -2.999 -11.319 5.240 1.00 0.00 N ATOM 1567 CA GLU A 104 -4.177 -12.158 5.053 1.00 0.00 C ATOM 1568 C GLU A 104 -5.413 -11.506 5.665 1.00 0.00 C ATOM 1569 O GLU A 104 -5.413 -11.126 6.837 1.00 0.00 O ATOM 1570 CB GLU A 104 -3.952 -13.537 5.677 1.00 0.00 C ATOM 1571 CG GLU A 104 -4.850 -14.619 5.102 1.00 0.00 C ATOM 1572 CD GLU A 104 -5.129 -15.733 6.092 1.00 0.00 C ATOM 1573 OE1 GLU A 104 -4.183 -16.473 6.433 1.00 0.00 O ATOM 1574 OE2 GLU A 104 -6.293 -15.865 6.525 1.00 0.00 O ATOM 0 H GLU A 104 -2.393 -11.607 6.009 1.00 0.00 H new ATOM 0 HA GLU A 104 -4.342 -12.274 3.982 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -2.911 -13.826 5.533 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -4.119 -13.472 6.752 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -5.794 -14.173 4.787 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -4.382 -15.038 4.211 1.00 0.00 H new ATOM 1581 N THR A 105 -6.466 -11.379 4.864 1.00 0.00 N ATOM 1582 CA THR A 105 -7.708 -10.772 5.325 1.00 0.00 C ATOM 1583 C THR A 105 -8.377 -11.631 6.393 1.00 0.00 C ATOM 1584 O THR A 105 -7.879 -12.699 6.747 1.00 0.00 O ATOM 1585 CB THR A 105 -8.695 -10.558 4.162 1.00 0.00 C ATOM 1586 OG1 THR A 105 -8.819 -11.763 3.397 1.00 0.00 O ATOM 1587 CG2 THR A 105 -8.230 -9.425 3.260 1.00 0.00 C ATOM 0 H THR A 105 -6.483 -11.689 3.892 1.00 0.00 H new ATOM 0 HA THR A 105 -7.447 -9.804 5.752 1.00 0.00 H new ATOM 0 HB THR A 105 -9.665 -10.293 4.582 1.00 0.00 H new ATOM 0 HG1 THR A 105 -9.517 -11.649 2.718 1.00 0.00 H new ATOM 0 HG21 THR A 105 -8.943 -9.292 2.446 1.00 0.00 H new ATOM 0 HG22 THR A 105 -8.164 -8.503 3.838 1.00 0.00 H new ATOM 0 HG23 THR A 105 -7.250 -9.666 2.849 1.00 0.00 H new ATOM 1595 N LYS A 106 -9.509 -11.158 6.902 1.00 0.00 N ATOM 1596 CA LYS A 106 -10.249 -11.883 7.928 1.00 0.00 C ATOM 1597 C LYS A 106 -11.303 -12.790 7.301 1.00 0.00 C ATOM 1598 O LYS A 106 -11.788 -12.526 6.201 1.00 0.00 O ATOM 1599 CB LYS A 106 -10.916 -10.902 8.894 1.00 0.00 C ATOM 1600 CG LYS A 106 -9.948 -10.256 9.870 1.00 0.00 C ATOM 1601 CD LYS A 106 -10.626 -9.915 11.186 1.00 0.00 C ATOM 1602 CE LYS A 106 -9.885 -8.812 11.926 1.00 0.00 C ATOM 1603 NZ LYS A 106 -10.142 -8.858 13.392 1.00 0.00 N ATOM 0 H LYS A 106 -9.935 -10.275 6.621 1.00 0.00 H new ATOM 0 HA LYS A 106 -9.542 -12.503 8.479 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -11.414 -10.121 8.319 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -11.689 -11.427 9.456 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -9.112 -10.931 10.055 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -9.534 -9.350 9.427 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -11.653 -9.601 10.997 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -10.675 -10.806 11.813 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -8.815 -8.907 11.742 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -10.191 -7.842 11.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -9.619 -8.090 13.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -11.160 -8.742 13.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -9.826 -9.773 13.771 1.00 0.00 H new ATOM 1617 N ALA A 107 -11.652 -13.860 8.008 1.00 0.00 N ATOM 1618 CA ALA A 107 -12.651 -14.804 7.521 1.00 0.00 C ATOM 1619 C ALA A 107 -14.038 -14.172 7.498 1.00 0.00 C ATOM 1620 O ALA A 107 -14.434 -13.486 8.441 1.00 0.00 O ATOM 1621 CB ALA A 107 -12.654 -16.059 8.382 1.00 0.00 C ATOM 0 H ALA A 107 -11.258 -14.095 8.919 1.00 0.00 H new ATOM 0 HA ALA A 107 -12.389 -15.078 6.499 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -13.404 -16.755 8.008 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -11.671 -16.529 8.343 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -12.889 -15.793 9.413 1.00 0.00 H new ATOM 1627 N ARG A 108 -14.773 -14.407 6.415 1.00 0.00 N ATOM 1628 CA ARG A 108 -16.116 -13.859 6.269 1.00 0.00 C ATOM 1629 C ARG A 108 -17.117 -14.642 7.113 1.00 0.00 C ATOM 1630 O ARG A 108 -18.325 -14.420 7.026 1.00 0.00 O ATOM 1631 CB ARG A 108 -16.542 -13.882 4.800 1.00 0.00 C ATOM 1632 CG ARG A 108 -16.408 -15.248 4.149 1.00 0.00 C ATOM 1633 CD ARG A 108 -17.423 -15.434 3.031 1.00 0.00 C ATOM 1634 NE ARG A 108 -17.547 -16.834 2.632 1.00 0.00 N ATOM 1635 CZ ARG A 108 -18.606 -17.326 1.999 1.00 0.00 C ATOM 1636 NH1 ARG A 108 -19.626 -16.536 1.693 1.00 0.00 N ATOM 1637 NH2 ARG A 108 -18.646 -18.611 1.669 1.00 0.00 N ATOM 0 H ARG A 108 -14.461 -14.973 5.626 1.00 0.00 H new ATOM 0 HA ARG A 108 -16.101 -12.827 6.619 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -17.579 -13.554 4.726 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -15.940 -13.163 4.244 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -15.400 -15.365 3.750 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -16.546 -16.026 4.900 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -18.394 -15.063 3.358 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -17.127 -14.836 2.169 1.00 0.00 H new ATOM 0 HE ARG A 108 -16.779 -17.468 2.851 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -19.599 -15.548 1.944 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -20.438 -16.917 1.207 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -17.863 -19.222 1.902 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -19.460 -18.988 1.183 1.00 0.00 H new ATOM 1651 N SER A 109 -16.607 -15.558 7.929 1.00 0.00 N ATOM 1652 CA SER A 109 -17.457 -16.378 8.786 1.00 0.00 C ATOM 1653 C SER A 109 -18.459 -15.512 9.544 1.00 0.00 C ATOM 1654 O SER A 109 -18.078 -14.661 10.347 1.00 0.00 O ATOM 1655 CB SER A 109 -16.603 -17.175 9.774 1.00 0.00 C ATOM 1656 OG SER A 109 -17.326 -18.274 10.300 1.00 0.00 O ATOM 0 H SER A 109 -15.609 -15.752 8.015 1.00 0.00 H new ATOM 0 HA SER A 109 -18.009 -17.072 8.153 1.00 0.00 H new ATOM 0 HB2 SER A 109 -15.702 -17.533 9.275 1.00 0.00 H new ATOM 0 HB3 SER A 109 -16.280 -16.525 10.587 1.00 0.00 H new ATOM 0 HG SER A 109 -16.759 -18.769 10.927 1.00 0.00 H new ATOM 1662 N GLY A 110 -19.743 -15.738 9.283 1.00 0.00 N ATOM 1663 CA GLY A 110 -20.780 -14.972 9.948 1.00 0.00 C ATOM 1664 C GLY A 110 -21.610 -14.154 8.978 1.00 0.00 C ATOM 1665 O GLY A 110 -21.183 -13.855 7.862 1.00 0.00 O ATOM 0 H GLY A 110 -20.083 -16.438 8.623 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -21.433 -15.651 10.497 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -20.323 -14.307 10.681 1.00 0.00 H new ATOM 1669 N PRO A 111 -22.827 -13.781 9.402 1.00 0.00 N ATOM 1670 CA PRO A 111 -23.744 -12.990 8.576 1.00 0.00 C ATOM 1671 C PRO A 111 -23.262 -11.555 8.387 1.00 0.00 C ATOM 1672 O PRO A 111 -22.171 -11.194 8.827 1.00 0.00 O ATOM 1673 CB PRO A 111 -25.050 -13.015 9.374 1.00 0.00 C ATOM 1674 CG PRO A 111 -24.627 -13.237 10.786 1.00 0.00 C ATOM 1675 CD PRO A 111 -23.400 -14.103 10.719 1.00 0.00 C ATOM 0 HA PRO A 111 -23.837 -13.394 7.568 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -25.597 -12.078 9.267 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -25.710 -13.811 9.029 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -24.410 -12.291 11.282 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -25.417 -13.723 11.358 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -22.704 -13.876 11.526 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -23.650 -15.161 10.801 1.00 0.00 H new ATOM 1683 N SER A 112 -24.083 -10.742 7.730 1.00 0.00 N ATOM 1684 CA SER A 112 -23.739 -9.347 7.480 1.00 0.00 C ATOM 1685 C SER A 112 -23.951 -8.502 8.733 1.00 0.00 C ATOM 1686 O SER A 112 -23.029 -7.845 9.215 1.00 0.00 O ATOM 1687 CB SER A 112 -24.578 -8.792 6.328 1.00 0.00 C ATOM 1688 OG SER A 112 -25.960 -9.020 6.547 1.00 0.00 O ATOM 0 H SER A 112 -24.991 -11.025 7.361 1.00 0.00 H new ATOM 0 HA SER A 112 -22.685 -9.301 7.207 1.00 0.00 H new ATOM 0 HB2 SER A 112 -24.395 -7.723 6.223 1.00 0.00 H new ATOM 0 HB3 SER A 112 -24.273 -9.261 5.393 1.00 0.00 H new ATOM 0 HG SER A 112 -26.475 -8.654 5.797 1.00 0.00 H new ATOM 1694 N SER A 113 -25.174 -8.525 9.254 1.00 0.00 N ATOM 1695 CA SER A 113 -25.510 -7.759 10.448 1.00 0.00 C ATOM 1696 C SER A 113 -26.919 -8.092 10.929 1.00 0.00 C ATOM 1697 O SER A 113 -27.693 -8.734 10.220 1.00 0.00 O ATOM 1698 CB SER A 113 -25.396 -6.260 10.166 1.00 0.00 C ATOM 1699 OG SER A 113 -25.090 -5.540 11.348 1.00 0.00 O ATOM 0 H SER A 113 -25.948 -9.066 8.868 1.00 0.00 H new ATOM 0 HA SER A 113 -24.804 -8.029 11.233 1.00 0.00 H new ATOM 0 HB2 SER A 113 -24.621 -6.085 9.419 1.00 0.00 H new ATOM 0 HB3 SER A 113 -26.333 -5.894 9.746 1.00 0.00 H new ATOM 0 HG SER A 113 -25.021 -4.585 11.140 1.00 0.00 H new ATOM 1705 N GLY A 114 -27.244 -7.651 12.140 1.00 0.00 N ATOM 1706 CA GLY A 114 -28.559 -7.911 12.696 1.00 0.00 C ATOM 1707 C GLY A 114 -29.591 -6.897 12.245 1.00 0.00 C ATOM 1708 O GLY A 114 -29.475 -5.709 12.545 1.00 0.00 O ATOM 0 H GLY A 114 -26.620 -7.118 12.746 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -28.883 -8.909 12.402 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -28.498 -7.903 13.784 1.00 0.00 H new TER 1712 GLY A 114