USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 660 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 47 LYS NZ :NH3+ -146:sc= -13.3! (180deg=-15!) USER MOD Set 1.2: A 51 TYR OH : rot -135:sc= -1.03! USER MOD Set 2.1: A 27 LYS NZ :NH3+ 142:sc= -2.73 (180deg=-0.399) USER MOD Set 2.2: A 84 MET CE :methyl 173:sc= -9.28! (180deg=-7.06!) USER MOD Set 3.1: A 9 THR OG1 : rot -130:sc= -2.87! USER MOD Set 3.2: A 16 CYS SG : rot 3:sc= -1.52 USER MOD Set 4.1: A 10 SER OG : rot -112:sc= 1.79 USER MOD Set 4.2: A 12 THR OG1 : rot -82:sc= 0.195 USER MOD Set 4.3: A 13 CYS SG : rot 62:sc= 1.45 USER MOD Single : A 1 MET CE :methyl 159:sc= -5.9! (180deg=-7.91!) USER MOD Single : A 1 MET N :NH3+ 175:sc= 0 (180deg=-0.0246) USER MOD Single : A 4 ASN : amide:sc= -13.7! C(o=-14!,f=-13!) USER MOD Single : A 15 TYR OH : rot 180:sc= -0.907 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 159:sc= 1.09 (180deg=0.692) USER MOD Single : A 42 MET CE :methyl -140:sc= -0.183 (180deg=-0.464) USER MOD Single : A 54 MET CE :methyl 149:sc= -0.0552 (180deg=-1.02) USER MOD Single : A 62 ASN : amide:sc= -14.2! C(o=-14!,f=-28!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -4.21! C(o=-4.2!,f=-10!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.827 -3.216 9.793 1.00 0.00 N ATOM 2 CA MET A 1 -10.976 -2.471 8.510 1.00 0.00 C ATOM 3 C MET A 1 -11.148 -3.449 7.348 1.00 0.00 C ATOM 4 O MET A 1 -10.692 -4.575 7.397 1.00 0.00 O ATOM 5 CB MET A 1 -9.678 -1.679 8.359 1.00 0.00 C ATOM 6 CG MET A 1 -8.730 -2.425 7.419 1.00 0.00 C ATOM 7 SD MET A 1 -7.019 -2.147 7.941 1.00 0.00 S ATOM 8 CE MET A 1 -7.243 -2.567 9.686 1.00 0.00 C ATOM 0 H1 MET A 1 -10.626 -2.546 10.562 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.708 -3.729 10.001 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.043 -3.894 9.712 1.00 0.00 H new ATOM 0 HA MET A 1 -11.851 -1.821 8.509 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.890 -0.685 7.965 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.208 -1.542 9.333 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.956 -3.491 7.429 1.00 0.00 H new ATOM 0 HG3 MET A 1 -8.870 -2.079 6.395 1.00 0.00 H new ATOM 0 HE1 MET A 1 -6.279 -2.827 10.124 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.664 -1.712 10.215 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.921 -3.416 9.772 1.00 0.00 H new ATOM 20 N VAL A 2 -11.799 -3.029 6.299 1.00 0.00 N ATOM 21 CA VAL A 2 -11.996 -3.938 5.135 1.00 0.00 C ATOM 22 C VAL A 2 -10.841 -3.785 4.154 1.00 0.00 C ATOM 23 O VAL A 2 -9.826 -4.447 4.252 1.00 0.00 O ATOM 24 CB VAL A 2 -13.292 -3.474 4.473 1.00 0.00 C ATOM 25 CG1 VAL A 2 -13.385 -1.947 4.547 1.00 0.00 C ATOM 26 CG2 VAL A 2 -13.287 -3.908 3.003 1.00 0.00 C ATOM 0 H VAL A 2 -12.202 -2.098 6.197 1.00 0.00 H new ATOM 0 HA VAL A 2 -12.039 -4.983 5.440 1.00 0.00 H new ATOM 0 HB VAL A 2 -14.145 -3.916 4.988 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -14.310 -1.615 4.075 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -13.377 -1.632 5.591 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -12.534 -1.505 4.029 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -14.209 -3.580 2.524 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -12.434 -3.459 2.494 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -13.214 -4.994 2.944 1.00 0.00 H new ATOM 36 N VAL A 3 -10.998 -2.918 3.203 1.00 0.00 N ATOM 37 CA VAL A 3 -9.925 -2.710 2.202 1.00 0.00 C ATOM 38 C VAL A 3 -8.947 -1.634 2.676 1.00 0.00 C ATOM 39 O VAL A 3 -9.279 -0.466 2.709 1.00 0.00 O ATOM 40 CB VAL A 3 -10.681 -2.253 0.947 1.00 0.00 C ATOM 41 CG1 VAL A 3 -9.696 -1.827 -0.141 1.00 0.00 C ATOM 42 CG2 VAL A 3 -11.537 -3.415 0.440 1.00 0.00 C ATOM 0 H VAL A 3 -11.829 -2.340 3.074 1.00 0.00 H new ATOM 0 HA VAL A 3 -9.326 -3.604 2.028 1.00 0.00 H new ATOM 0 HB VAL A 3 -11.313 -1.400 1.194 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -10.247 -1.505 -1.025 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -9.084 -1.003 0.225 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -9.054 -2.669 -0.400 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -12.080 -3.104 -0.452 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -10.894 -4.261 0.197 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -12.247 -3.708 1.213 1.00 0.00 H new ATOM 52 N ASN A 4 -7.732 -1.995 3.005 1.00 0.00 N ATOM 53 CA ASN A 4 -6.765 -0.945 3.424 1.00 0.00 C ATOM 54 C ASN A 4 -5.467 -1.138 2.653 1.00 0.00 C ATOM 55 O ASN A 4 -4.680 -2.027 2.921 1.00 0.00 O ATOM 56 CB ASN A 4 -6.525 -1.227 4.907 1.00 0.00 C ATOM 57 CG ASN A 4 -7.455 -0.374 5.771 1.00 0.00 C ATOM 58 OD1 ASN A 4 -7.039 0.181 6.768 1.00 0.00 O ATOM 59 ND2 ASN A 4 -8.708 -0.259 5.432 1.00 0.00 N ATOM 0 H ASN A 4 -7.377 -2.951 3.001 1.00 0.00 H new ATOM 0 HA ASN A 4 -7.123 0.068 3.243 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -6.694 -2.284 5.114 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -5.486 -1.014 5.160 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -9.342 0.298 6.004 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -9.055 -0.726 4.594 1.00 0.00 H new ATOM 66 N ILE A 5 -5.248 -0.285 1.707 1.00 0.00 N ATOM 67 CA ILE A 5 -4.019 -0.338 0.877 1.00 0.00 C ATOM 68 C ILE A 5 -3.226 0.956 0.992 1.00 0.00 C ATOM 69 O ILE A 5 -3.779 2.034 0.910 1.00 0.00 O ATOM 70 CB ILE A 5 -4.498 -0.604 -0.554 1.00 0.00 C ATOM 71 CG1 ILE A 5 -5.950 -1.087 -0.511 1.00 0.00 C ATOM 72 CG2 ILE A 5 -3.623 -1.700 -1.176 1.00 0.00 C ATOM 73 CD1 ILE A 5 -6.378 -1.550 -1.902 1.00 0.00 C ATOM 0 H ILE A 5 -5.887 0.472 1.464 1.00 0.00 H new ATOM 0 HA ILE A 5 -3.337 -1.122 1.206 1.00 0.00 H new ATOM 0 HB ILE A 5 -4.428 0.308 -1.147 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -6.051 -1.905 0.202 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -6.601 -0.283 -0.168 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -3.956 -1.897 -2.195 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -2.584 -1.371 -1.191 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -3.707 -2.612 -0.585 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -7.412 -1.893 -1.869 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -6.293 -0.720 -2.604 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -5.734 -2.367 -2.227 1.00 0.00 H new ATOM 85 N GLU A 6 -1.945 0.918 1.110 1.00 0.00 N ATOM 86 CA GLU A 6 -1.265 2.217 1.167 1.00 0.00 C ATOM 87 C GLU A 6 -0.118 2.172 0.176 1.00 0.00 C ATOM 88 O GLU A 6 0.789 1.371 0.287 1.00 0.00 O ATOM 89 CB GLU A 6 -0.708 2.288 2.613 1.00 0.00 C ATOM 90 CG GLU A 6 -0.420 3.730 3.044 1.00 0.00 C ATOM 91 CD GLU A 6 0.494 4.391 2.018 1.00 0.00 C ATOM 92 OE1 GLU A 6 0.002 4.733 0.959 1.00 0.00 O ATOM 93 OE2 GLU A 6 1.673 4.536 2.305 1.00 0.00 O ATOM 0 H GLU A 6 -1.360 0.084 1.167 1.00 0.00 H new ATOM 0 HA GLU A 6 -1.904 3.068 0.932 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -1.425 1.840 3.301 1.00 0.00 H new ATOM 0 HB3 GLU A 6 0.207 1.700 2.679 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -1.352 4.289 3.131 1.00 0.00 H new ATOM 0 HG3 GLU A 6 0.051 3.741 4.027 1.00 0.00 H new ATOM 100 N VAL A 7 -0.153 3.062 -0.795 1.00 0.00 N ATOM 101 CA VAL A 7 0.902 3.079 -1.822 1.00 0.00 C ATOM 102 C VAL A 7 1.801 4.249 -1.553 1.00 0.00 C ATOM 103 O VAL A 7 1.379 5.277 -1.064 1.00 0.00 O ATOM 104 CB VAL A 7 0.167 3.328 -3.167 1.00 0.00 C ATOM 105 CG1 VAL A 7 -0.729 2.150 -3.553 1.00 0.00 C ATOM 106 CG2 VAL A 7 -0.705 4.590 -3.041 1.00 0.00 C ATOM 0 H VAL A 7 -0.876 3.772 -0.906 1.00 0.00 H new ATOM 0 HA VAL A 7 1.487 2.159 -1.833 1.00 0.00 H new ATOM 0 HB VAL A 7 0.923 3.451 -3.942 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -1.225 2.365 -4.500 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -0.122 1.250 -3.657 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -1.479 1.994 -2.778 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -1.223 4.770 -3.983 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -1.436 4.449 -2.245 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -0.073 5.447 -2.805 1.00 0.00 H new ATOM 116 N PHE A 8 3.053 4.081 -1.812 1.00 0.00 N ATOM 117 CA PHE A 8 3.991 5.178 -1.537 1.00 0.00 C ATOM 118 C PHE A 8 5.083 5.317 -2.627 1.00 0.00 C ATOM 119 O PHE A 8 6.204 4.882 -2.439 1.00 0.00 O ATOM 120 CB PHE A 8 4.507 4.810 -0.159 1.00 0.00 C ATOM 121 CG PHE A 8 5.888 5.316 0.049 1.00 0.00 C ATOM 122 CD1 PHE A 8 6.096 6.637 0.454 1.00 0.00 C ATOM 123 CD2 PHE A 8 6.962 4.457 -0.140 1.00 0.00 C ATOM 124 CE1 PHE A 8 7.394 7.097 0.664 1.00 0.00 C ATOM 125 CE2 PHE A 8 8.260 4.912 0.074 1.00 0.00 C ATOM 126 CZ PHE A 8 8.478 6.234 0.477 1.00 0.00 C ATOM 0 H PHE A 8 3.466 3.234 -2.201 1.00 0.00 H new ATOM 0 HA PHE A 8 3.542 6.171 -1.557 1.00 0.00 H new ATOM 0 HB2 PHE A 8 3.846 5.224 0.602 1.00 0.00 H new ATOM 0 HB3 PHE A 8 4.492 3.727 -0.039 1.00 0.00 H new ATOM 0 HD1 PHE A 8 5.255 7.298 0.603 1.00 0.00 H new ATOM 0 HD2 PHE A 8 6.791 3.437 -0.453 1.00 0.00 H new ATOM 0 HE1 PHE A 8 7.563 8.119 0.971 1.00 0.00 H new ATOM 0 HE2 PHE A 8 9.097 4.246 -0.071 1.00 0.00 H new ATOM 0 HZ PHE A 8 9.485 6.588 0.644 1.00 0.00 H new ATOM 136 N THR A 9 4.821 5.914 -3.756 1.00 0.00 N ATOM 137 CA THR A 9 5.936 6.011 -4.750 1.00 0.00 C ATOM 138 C THR A 9 6.272 7.471 -5.024 1.00 0.00 C ATOM 139 O THR A 9 7.320 7.965 -4.645 1.00 0.00 O ATOM 140 CB THR A 9 5.400 5.314 -5.997 1.00 0.00 C ATOM 141 OG1 THR A 9 4.687 4.147 -5.605 1.00 0.00 O ATOM 142 CG2 THR A 9 6.556 4.917 -6.920 1.00 0.00 C ATOM 0 H THR A 9 3.928 6.323 -4.030 1.00 0.00 H new ATOM 0 HA THR A 9 6.859 5.550 -4.399 1.00 0.00 H new ATOM 0 HB THR A 9 4.739 5.995 -6.533 1.00 0.00 H new ATOM 0 HG1 THR A 9 5.000 3.381 -6.130 1.00 0.00 H new ATOM 0 HG21 THR A 9 6.160 4.421 -7.806 1.00 0.00 H new ATOM 0 HG22 THR A 9 7.106 5.809 -7.219 1.00 0.00 H new ATOM 0 HG23 THR A 9 7.226 4.238 -6.393 1.00 0.00 H new ATOM 150 N SER A 10 5.387 8.167 -5.661 1.00 0.00 N ATOM 151 CA SER A 10 5.641 9.602 -5.948 1.00 0.00 C ATOM 152 C SER A 10 4.468 10.217 -6.715 1.00 0.00 C ATOM 153 O SER A 10 3.631 9.514 -7.247 1.00 0.00 O ATOM 154 CB SER A 10 6.911 9.619 -6.792 1.00 0.00 C ATOM 155 OG SER A 10 6.560 9.658 -8.168 1.00 0.00 O ATOM 0 H SER A 10 4.494 7.807 -5.998 1.00 0.00 H new ATOM 0 HA SER A 10 5.752 10.188 -5.036 1.00 0.00 H new ATOM 0 HB2 SER A 10 7.520 10.486 -6.536 1.00 0.00 H new ATOM 0 HB3 SER A 10 7.512 8.734 -6.583 1.00 0.00 H new ATOM 0 HG SER A 10 6.807 8.810 -8.593 1.00 0.00 H new ATOM 161 N PRO A 11 4.453 11.521 -6.736 1.00 0.00 N ATOM 162 CA PRO A 11 3.382 12.264 -7.436 1.00 0.00 C ATOM 163 C PRO A 11 3.662 12.314 -8.940 1.00 0.00 C ATOM 164 O PRO A 11 2.758 12.394 -9.748 1.00 0.00 O ATOM 165 CB PRO A 11 3.463 13.659 -6.827 1.00 0.00 C ATOM 166 CG PRO A 11 4.873 13.801 -6.338 1.00 0.00 C ATOM 167 CD PRO A 11 5.428 12.416 -6.108 1.00 0.00 C ATOM 0 HA PRO A 11 2.399 11.807 -7.323 1.00 0.00 H new ATOM 0 HB2 PRO A 11 3.225 14.424 -7.566 1.00 0.00 H new ATOM 0 HB3 PRO A 11 2.751 13.772 -6.010 1.00 0.00 H new ATOM 0 HG2 PRO A 11 5.478 14.337 -7.069 1.00 0.00 H new ATOM 0 HG3 PRO A 11 4.900 14.381 -5.415 1.00 0.00 H new ATOM 0 HD2 PRO A 11 6.415 12.305 -6.556 1.00 0.00 H new ATOM 0 HD3 PRO A 11 5.535 12.203 -5.044 1.00 0.00 H new ATOM 175 N THR A 12 4.910 12.267 -9.323 1.00 0.00 N ATOM 176 CA THR A 12 5.245 12.311 -10.775 1.00 0.00 C ATOM 177 C THR A 12 5.022 10.933 -11.399 1.00 0.00 C ATOM 178 O THR A 12 4.904 10.793 -12.600 1.00 0.00 O ATOM 179 CB THR A 12 6.724 12.695 -10.829 1.00 0.00 C ATOM 180 OG1 THR A 12 7.287 12.589 -9.529 1.00 0.00 O ATOM 181 CG2 THR A 12 6.860 14.134 -11.331 1.00 0.00 C ATOM 0 H THR A 12 5.710 12.200 -8.694 1.00 0.00 H new ATOM 0 HA THR A 12 4.625 13.017 -11.327 1.00 0.00 H new ATOM 0 HB THR A 12 7.250 12.024 -11.508 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.084 13.400 -9.017 1.00 0.00 H new ATOM 0 HG21 THR A 12 7.914 14.408 -11.369 1.00 0.00 H new ATOM 0 HG22 THR A 12 6.428 14.214 -12.328 1.00 0.00 H new ATOM 0 HG23 THR A 12 6.335 14.807 -10.653 1.00 0.00 H new ATOM 189 N CYS A 13 4.958 9.916 -10.586 1.00 0.00 N ATOM 190 CA CYS A 13 4.735 8.543 -11.118 1.00 0.00 C ATOM 191 C CYS A 13 3.518 7.916 -10.435 1.00 0.00 C ATOM 192 O CYS A 13 2.953 8.491 -9.526 1.00 0.00 O ATOM 193 CB CYS A 13 6.005 7.768 -10.768 1.00 0.00 C ATOM 194 SG CYS A 13 7.417 8.901 -10.744 1.00 0.00 S ATOM 0 H CYS A 13 5.051 9.977 -9.572 1.00 0.00 H new ATOM 0 HA CYS A 13 4.543 8.538 -12.191 1.00 0.00 H new ATOM 0 HB2 CYS A 13 5.894 7.288 -9.796 1.00 0.00 H new ATOM 0 HB3 CYS A 13 6.173 6.976 -11.498 1.00 0.00 H new ATOM 0 HG CYS A 13 7.236 9.801 -9.823 1.00 0.00 H new ATOM 200 N PRO A 14 3.154 6.754 -10.898 1.00 0.00 N ATOM 201 CA PRO A 14 1.993 6.042 -10.328 1.00 0.00 C ATOM 202 C PRO A 14 2.404 5.269 -9.071 1.00 0.00 C ATOM 203 O PRO A 14 3.177 4.334 -9.134 1.00 0.00 O ATOM 204 CB PRO A 14 1.589 5.081 -11.440 1.00 0.00 C ATOM 205 CG PRO A 14 2.833 4.854 -12.248 1.00 0.00 C ATOM 206 CD PRO A 14 3.780 6.003 -11.987 1.00 0.00 C ATOM 0 HA PRO A 14 1.186 6.709 -10.026 1.00 0.00 H new ATOM 0 HB2 PRO A 14 1.211 4.144 -11.031 1.00 0.00 H new ATOM 0 HB3 PRO A 14 0.794 5.504 -12.054 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.298 3.908 -11.972 1.00 0.00 H new ATOM 0 HG3 PRO A 14 2.592 4.793 -13.309 1.00 0.00 H new ATOM 0 HD2 PRO A 14 4.770 5.645 -11.704 1.00 0.00 H new ATOM 0 HD3 PRO A 14 3.907 6.623 -12.875 1.00 0.00 H new ATOM 214 N TYR A 15 1.892 5.645 -7.932 1.00 0.00 N ATOM 215 CA TYR A 15 2.257 4.919 -6.684 1.00 0.00 C ATOM 216 C TYR A 15 2.101 3.412 -6.903 1.00 0.00 C ATOM 217 O TYR A 15 2.829 2.810 -7.665 1.00 0.00 O ATOM 218 CB TYR A 15 1.267 5.417 -5.628 1.00 0.00 C ATOM 219 CG TYR A 15 1.107 6.915 -5.752 1.00 0.00 C ATOM 220 CD1 TYR A 15 2.170 7.764 -5.419 1.00 0.00 C ATOM 221 CD2 TYR A 15 -0.104 7.454 -6.204 1.00 0.00 C ATOM 222 CE1 TYR A 15 2.022 9.151 -5.539 1.00 0.00 C ATOM 223 CE2 TYR A 15 -0.252 8.842 -6.324 1.00 0.00 C ATOM 224 CZ TYR A 15 0.811 9.690 -5.991 1.00 0.00 C ATOM 225 OH TYR A 15 0.664 11.057 -6.106 1.00 0.00 O ATOM 0 H TYR A 15 1.240 6.420 -7.812 1.00 0.00 H new ATOM 0 HA TYR A 15 3.289 5.097 -6.382 1.00 0.00 H new ATOM 0 HB2 TYR A 15 0.303 4.926 -5.758 1.00 0.00 H new ATOM 0 HB3 TYR A 15 1.623 5.160 -4.630 1.00 0.00 H new ATOM 0 HD1 TYR A 15 3.104 7.349 -5.070 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -0.924 6.800 -6.460 1.00 0.00 H new ATOM 0 HE1 TYR A 15 2.842 9.806 -5.283 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -1.186 9.258 -6.673 1.00 0.00 H new ATOM 0 HH TYR A 15 -0.236 11.263 -6.434 1.00 0.00 H new ATOM 235 N CYS A 16 1.154 2.800 -6.245 1.00 0.00 N ATOM 236 CA CYS A 16 0.946 1.329 -6.420 1.00 0.00 C ATOM 237 C CYS A 16 -0.529 0.974 -6.195 1.00 0.00 C ATOM 238 O CYS A 16 -0.840 -0.055 -5.630 1.00 0.00 O ATOM 239 CB CYS A 16 1.822 0.671 -5.350 1.00 0.00 C ATOM 240 SG CYS A 16 3.568 0.923 -5.755 1.00 0.00 S ATOM 0 H CYS A 16 0.514 3.253 -5.593 1.00 0.00 H new ATOM 0 HA CYS A 16 1.207 0.993 -7.423 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.600 1.097 -4.372 1.00 0.00 H new ATOM 0 HB3 CYS A 16 1.602 -0.395 -5.291 1.00 0.00 H new ATOM 0 HG CYS A 16 3.664 1.648 -6.830 1.00 0.00 H new ATOM 246 N PRO A 17 -1.388 1.849 -6.645 1.00 0.00 N ATOM 247 CA PRO A 17 -2.850 1.634 -6.490 1.00 0.00 C ATOM 248 C PRO A 17 -3.365 0.603 -7.501 1.00 0.00 C ATOM 249 O PRO A 17 -4.549 0.516 -7.758 1.00 0.00 O ATOM 250 CB PRO A 17 -3.443 3.005 -6.793 1.00 0.00 C ATOM 251 CG PRO A 17 -2.436 3.680 -7.672 1.00 0.00 C ATOM 252 CD PRO A 17 -1.083 3.111 -7.327 1.00 0.00 C ATOM 0 HA PRO A 17 -3.115 1.253 -5.504 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -4.407 2.916 -7.294 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -3.611 3.573 -5.878 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -2.668 3.508 -8.723 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -2.450 4.758 -7.514 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -0.481 2.946 -8.220 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -0.519 3.786 -6.683 1.00 0.00 H new ATOM 260 N MET A 18 -2.493 -0.171 -8.083 1.00 0.00 N ATOM 261 CA MET A 18 -2.948 -1.181 -9.083 1.00 0.00 C ATOM 262 C MET A 18 -3.150 -2.545 -8.422 1.00 0.00 C ATOM 263 O MET A 18 -4.259 -3.031 -8.306 1.00 0.00 O ATOM 264 CB MET A 18 -1.820 -1.251 -10.111 1.00 0.00 C ATOM 265 CG MET A 18 -1.734 -2.669 -10.679 1.00 0.00 C ATOM 266 SD MET A 18 -1.307 -2.591 -12.436 1.00 0.00 S ATOM 267 CE MET A 18 -2.755 -3.476 -13.060 1.00 0.00 C ATOM 0 H MET A 18 -1.488 -0.150 -7.912 1.00 0.00 H new ATOM 0 HA MET A 18 -3.902 -0.908 -9.533 1.00 0.00 H new ATOM 0 HB2 MET A 18 -2.001 -0.537 -10.914 1.00 0.00 H new ATOM 0 HB3 MET A 18 -0.873 -0.976 -9.647 1.00 0.00 H new ATOM 0 HG2 MET A 18 -0.984 -3.244 -10.137 1.00 0.00 H new ATOM 0 HG3 MET A 18 -2.686 -3.183 -10.548 1.00 0.00 H new ATOM 0 HE1 MET A 18 -2.698 -3.546 -14.146 1.00 0.00 H new ATOM 0 HE2 MET A 18 -2.781 -4.478 -12.633 1.00 0.00 H new ATOM 0 HE3 MET A 18 -3.660 -2.938 -12.778 1.00 0.00 H new ATOM 277 N ALA A 19 -2.090 -3.169 -7.990 1.00 0.00 N ATOM 278 CA ALA A 19 -2.230 -4.499 -7.339 1.00 0.00 C ATOM 279 C ALA A 19 -3.226 -4.401 -6.188 1.00 0.00 C ATOM 280 O ALA A 19 -3.819 -5.379 -5.780 1.00 0.00 O ATOM 281 CB ALA A 19 -0.835 -4.826 -6.812 1.00 0.00 C ATOM 0 H ALA A 19 -1.136 -2.816 -8.060 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.596 -5.266 -8.021 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -0.852 -5.796 -6.315 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -0.130 -4.856 -7.643 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -0.526 -4.060 -6.101 1.00 0.00 H new ATOM 287 N ILE A 20 -3.424 -3.219 -5.672 1.00 0.00 N ATOM 288 CA ILE A 20 -4.391 -3.050 -4.552 1.00 0.00 C ATOM 289 C ILE A 20 -5.816 -3.235 -5.072 1.00 0.00 C ATOM 290 O ILE A 20 -6.653 -3.839 -4.430 1.00 0.00 O ATOM 291 CB ILE A 20 -4.182 -1.622 -4.057 1.00 0.00 C ATOM 292 CG1 ILE A 20 -4.911 -0.649 -4.987 1.00 0.00 C ATOM 293 CG2 ILE A 20 -2.687 -1.301 -4.053 1.00 0.00 C ATOM 294 CD1 ILE A 20 -5.068 0.701 -4.287 1.00 0.00 C ATOM 0 H ILE A 20 -2.958 -2.364 -5.977 1.00 0.00 H new ATOM 0 HA ILE A 20 -4.239 -3.778 -3.755 1.00 0.00 H new ATOM 0 HB ILE A 20 -4.578 -1.524 -3.046 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -4.352 -0.527 -5.915 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -5.889 -1.048 -5.255 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -2.535 -0.281 -3.700 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -2.168 -1.995 -3.392 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.291 -1.398 -5.064 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -5.587 1.395 -4.948 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -5.645 0.571 -3.372 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -4.084 1.100 -4.042 1.00 0.00 H new ATOM 306 N GLU A 21 -6.091 -2.735 -6.245 1.00 0.00 N ATOM 307 CA GLU A 21 -7.451 -2.904 -6.816 1.00 0.00 C ATOM 308 C GLU A 21 -7.845 -4.374 -6.694 1.00 0.00 C ATOM 309 O GLU A 21 -8.993 -4.711 -6.484 1.00 0.00 O ATOM 310 CB GLU A 21 -7.327 -2.477 -8.280 1.00 0.00 C ATOM 311 CG GLU A 21 -8.641 -2.766 -9.010 1.00 0.00 C ATOM 312 CD GLU A 21 -8.876 -1.700 -10.082 1.00 0.00 C ATOM 313 OE1 GLU A 21 -8.589 -0.545 -9.815 1.00 0.00 O ATOM 314 OE2 GLU A 21 -9.338 -2.058 -11.153 1.00 0.00 O ATOM 0 H GLU A 21 -5.433 -2.219 -6.829 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.214 -2.315 -6.307 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -7.091 -1.415 -8.341 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -6.508 -3.014 -8.758 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.605 -3.755 -9.467 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.469 -2.773 -8.301 1.00 0.00 H new ATOM 321 N VAL A 22 -6.884 -5.253 -6.796 1.00 0.00 N ATOM 322 CA VAL A 22 -7.181 -6.707 -6.659 1.00 0.00 C ATOM 323 C VAL A 22 -7.492 -7.011 -5.191 1.00 0.00 C ATOM 324 O VAL A 22 -8.470 -7.657 -4.868 1.00 0.00 O ATOM 325 CB VAL A 22 -5.905 -7.415 -7.118 1.00 0.00 C ATOM 326 CG1 VAL A 22 -5.837 -8.803 -6.485 1.00 0.00 C ATOM 327 CG2 VAL A 22 -5.924 -7.549 -8.643 1.00 0.00 C ATOM 0 H VAL A 22 -5.905 -5.026 -6.969 1.00 0.00 H new ATOM 0 HA VAL A 22 -8.040 -7.032 -7.246 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.034 -6.835 -6.812 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -4.928 -9.308 -6.812 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.829 -8.708 -5.399 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -6.706 -9.386 -6.792 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.016 -8.053 -8.975 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -6.794 -8.131 -8.946 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -5.975 -6.558 -9.095 1.00 0.00 H new ATOM 337 N VAL A 23 -6.675 -6.512 -4.304 1.00 0.00 N ATOM 338 CA VAL A 23 -6.920 -6.717 -2.848 1.00 0.00 C ATOM 339 C VAL A 23 -8.252 -6.062 -2.476 1.00 0.00 C ATOM 340 O VAL A 23 -8.965 -6.519 -1.602 1.00 0.00 O ATOM 341 CB VAL A 23 -5.740 -6.070 -2.120 1.00 0.00 C ATOM 342 CG1 VAL A 23 -6.203 -4.809 -1.395 1.00 0.00 C ATOM 343 CG2 VAL A 23 -5.191 -7.075 -1.102 1.00 0.00 C ATOM 0 H VAL A 23 -5.842 -5.967 -4.527 1.00 0.00 H new ATOM 0 HA VAL A 23 -6.989 -7.770 -2.573 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.966 -5.797 -2.837 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.357 -4.354 -0.879 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.610 -4.102 -2.118 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.973 -5.069 -0.669 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -4.348 -6.632 -0.572 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -5.973 -7.334 -0.388 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.861 -7.975 -1.621 1.00 0.00 H new ATOM 353 N ASP A 24 -8.592 -4.992 -3.152 1.00 0.00 N ATOM 354 CA ASP A 24 -9.883 -4.306 -2.874 1.00 0.00 C ATOM 355 C ASP A 24 -11.033 -5.192 -3.343 1.00 0.00 C ATOM 356 O ASP A 24 -12.061 -5.310 -2.700 1.00 0.00 O ATOM 357 CB ASP A 24 -9.828 -3.013 -3.688 1.00 0.00 C ATOM 358 CG ASP A 24 -10.770 -1.982 -3.064 1.00 0.00 C ATOM 359 OD1 ASP A 24 -11.958 -2.055 -3.334 1.00 0.00 O ATOM 360 OD2 ASP A 24 -10.288 -1.139 -2.328 1.00 0.00 O ATOM 0 H ASP A 24 -8.026 -4.566 -3.886 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.038 -4.104 -1.814 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.809 -2.626 -3.709 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -10.116 -3.208 -4.721 1.00 0.00 H new ATOM 365 N GLU A 25 -10.845 -5.818 -4.468 1.00 0.00 N ATOM 366 CA GLU A 25 -11.881 -6.721 -5.024 1.00 0.00 C ATOM 367 C GLU A 25 -12.203 -7.819 -4.012 1.00 0.00 C ATOM 368 O GLU A 25 -13.349 -8.127 -3.749 1.00 0.00 O ATOM 369 CB GLU A 25 -11.231 -7.301 -6.281 1.00 0.00 C ATOM 370 CG GLU A 25 -12.022 -6.865 -7.514 1.00 0.00 C ATOM 371 CD GLU A 25 -12.385 -8.095 -8.346 1.00 0.00 C ATOM 372 OE1 GLU A 25 -12.871 -9.053 -7.769 1.00 0.00 O ATOM 373 OE2 GLU A 25 -12.169 -8.058 -9.546 1.00 0.00 O ATOM 0 H GLU A 25 -10.000 -5.739 -5.035 1.00 0.00 H new ATOM 0 HA GLU A 25 -12.822 -6.217 -5.246 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -10.199 -6.960 -6.359 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -11.204 -8.389 -6.220 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -12.926 -6.337 -7.211 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -11.432 -6.170 -8.111 1.00 0.00 H new ATOM 380 N ALA A 26 -11.187 -8.408 -3.442 1.00 0.00 N ATOM 381 CA ALA A 26 -11.410 -9.484 -2.435 1.00 0.00 C ATOM 382 C ALA A 26 -11.809 -8.885 -1.087 1.00 0.00 C ATOM 383 O ALA A 26 -12.663 -9.404 -0.396 1.00 0.00 O ATOM 384 CB ALA A 26 -10.071 -10.202 -2.314 1.00 0.00 C ATOM 0 H ALA A 26 -10.209 -8.189 -3.631 1.00 0.00 H new ATOM 0 HA ALA A 26 -12.213 -10.157 -2.734 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -10.156 -11.010 -1.588 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -9.790 -10.613 -3.284 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -9.308 -9.497 -1.984 1.00 0.00 H new ATOM 390 N LYS A 27 -11.195 -7.796 -0.699 1.00 0.00 N ATOM 391 CA LYS A 27 -11.544 -7.198 0.618 1.00 0.00 C ATOM 392 C LYS A 27 -12.946 -6.606 0.544 1.00 0.00 C ATOM 393 O LYS A 27 -13.616 -6.426 1.544 1.00 0.00 O ATOM 394 CB LYS A 27 -10.514 -6.087 0.815 1.00 0.00 C ATOM 395 CG LYS A 27 -9.234 -6.668 1.416 1.00 0.00 C ATOM 396 CD LYS A 27 -9.589 -7.827 2.348 1.00 0.00 C ATOM 397 CE LYS A 27 -9.734 -9.113 1.530 1.00 0.00 C ATOM 398 NZ LYS A 27 -8.337 -9.559 1.267 1.00 0.00 N ATOM 0 H LYS A 27 -10.478 -7.303 -1.231 1.00 0.00 H new ATOM 0 HA LYS A 27 -11.532 -7.921 1.433 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -10.294 -5.609 -0.140 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -10.918 -5.316 1.472 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -8.572 -7.015 0.623 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -8.695 -5.897 1.966 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -8.814 -7.950 3.105 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -10.518 -7.612 2.876 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -10.294 -9.870 2.080 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -10.272 -8.931 0.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -8.287 -10.596 1.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -8.047 -9.251 0.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -7.700 -9.142 1.976 1.00 0.00 H new ATOM 412 N LYS A 28 -13.417 -6.359 -0.645 1.00 0.00 N ATOM 413 CA LYS A 28 -14.797 -5.842 -0.802 1.00 0.00 C ATOM 414 C LYS A 28 -15.748 -6.992 -0.497 1.00 0.00 C ATOM 415 O LYS A 28 -16.709 -6.851 0.229 1.00 0.00 O ATOM 416 CB LYS A 28 -14.906 -5.434 -2.273 1.00 0.00 C ATOM 417 CG LYS A 28 -15.216 -3.943 -2.376 1.00 0.00 C ATOM 418 CD LYS A 28 -16.593 -3.756 -3.014 1.00 0.00 C ATOM 419 CE LYS A 28 -16.479 -2.800 -4.203 1.00 0.00 C ATOM 420 NZ LYS A 28 -16.524 -3.676 -5.407 1.00 0.00 N ATOM 0 H LYS A 28 -12.902 -6.494 -1.515 1.00 0.00 H new ATOM 0 HA LYS A 28 -15.033 -5.004 -0.146 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -13.974 -5.657 -2.792 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -15.690 -6.012 -2.763 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -15.196 -3.486 -1.386 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -14.455 -3.442 -2.974 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -16.987 -4.718 -3.343 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -17.295 -3.359 -2.280 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -17.296 -2.078 -4.209 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -15.551 -2.230 -4.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -16.451 -3.092 -6.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -15.731 -4.348 -5.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -17.422 -4.201 -5.421 1.00 0.00 H new ATOM 434 N GLU A 29 -15.447 -8.143 -1.040 1.00 0.00 N ATOM 435 CA GLU A 29 -16.293 -9.347 -0.808 1.00 0.00 C ATOM 436 C GLU A 29 -16.543 -9.537 0.681 1.00 0.00 C ATOM 437 O GLU A 29 -17.605 -9.952 1.106 1.00 0.00 O ATOM 438 CB GLU A 29 -15.437 -10.490 -1.339 1.00 0.00 C ATOM 439 CG GLU A 29 -15.037 -11.414 -0.186 1.00 0.00 C ATOM 440 CD GLU A 29 -16.135 -12.454 0.038 1.00 0.00 C ATOM 441 OE1 GLU A 29 -16.133 -13.448 -0.670 1.00 0.00 O ATOM 442 OE2 GLU A 29 -16.960 -12.239 0.910 1.00 0.00 O ATOM 0 H GLU A 29 -14.639 -8.300 -1.643 1.00 0.00 H new ATOM 0 HA GLU A 29 -17.269 -9.279 -1.288 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -15.990 -11.051 -2.093 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -14.546 -10.094 -1.826 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -14.093 -11.909 -0.413 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -14.881 -10.833 0.723 1.00 0.00 H new ATOM 449 N PHE A 30 -15.590 -9.182 1.479 1.00 0.00 N ATOM 450 CA PHE A 30 -15.740 -9.320 2.946 1.00 0.00 C ATOM 451 C PHE A 30 -16.176 -7.950 3.454 1.00 0.00 C ATOM 452 O PHE A 30 -17.284 -7.790 3.940 1.00 0.00 O ATOM 453 CB PHE A 30 -14.333 -9.682 3.474 1.00 0.00 C ATOM 454 CG PHE A 30 -13.909 -8.690 4.540 1.00 0.00 C ATOM 455 CD1 PHE A 30 -14.744 -8.438 5.631 1.00 0.00 C ATOM 456 CD2 PHE A 30 -12.685 -8.018 4.431 1.00 0.00 C ATOM 457 CE1 PHE A 30 -14.361 -7.515 6.609 1.00 0.00 C ATOM 458 CE2 PHE A 30 -12.301 -7.096 5.411 1.00 0.00 C ATOM 459 CZ PHE A 30 -13.141 -6.844 6.499 1.00 0.00 C ATOM 0 H PHE A 30 -14.697 -8.795 1.174 1.00 0.00 H new ATOM 0 HA PHE A 30 -16.462 -10.074 3.260 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -14.338 -10.691 3.886 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -13.615 -9.676 2.654 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -15.687 -8.957 5.719 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -12.037 -8.212 3.589 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -15.009 -7.321 7.451 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -11.356 -6.580 5.327 1.00 0.00 H new ATOM 0 HZ PHE A 30 -12.847 -6.131 7.255 1.00 0.00 H new ATOM 469 N GLY A 31 -15.327 -6.957 3.343 1.00 0.00 N ATOM 470 CA GLY A 31 -15.753 -5.576 3.766 1.00 0.00 C ATOM 471 C GLY A 31 -16.514 -4.843 2.627 1.00 0.00 C ATOM 472 O GLY A 31 -15.928 -4.017 1.950 1.00 0.00 O ATOM 0 H GLY A 31 -14.375 -7.034 2.986 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -16.392 -5.645 4.647 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -14.876 -4.995 4.052 1.00 0.00 H new ATOM 476 N ASP A 32 -17.779 -5.051 2.413 1.00 0.00 N ATOM 477 CA ASP A 32 -18.449 -4.275 1.309 1.00 0.00 C ATOM 478 C ASP A 32 -17.864 -2.849 1.212 1.00 0.00 C ATOM 479 O ASP A 32 -17.829 -2.238 0.160 1.00 0.00 O ATOM 480 CB ASP A 32 -19.914 -4.241 1.737 1.00 0.00 C ATOM 481 CG ASP A 32 -20.507 -2.860 1.463 1.00 0.00 C ATOM 482 OD1 ASP A 32 -20.165 -2.277 0.452 1.00 0.00 O ATOM 483 OD2 ASP A 32 -21.297 -2.406 2.280 1.00 0.00 O ATOM 0 H ASP A 32 -18.372 -5.700 2.929 1.00 0.00 H new ATOM 0 HA ASP A 32 -18.308 -4.721 0.324 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -20.477 -5.001 1.196 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -19.997 -4.477 2.798 1.00 0.00 H new ATOM 488 N LYS A 33 -17.392 -2.337 2.312 1.00 0.00 N ATOM 489 CA LYS A 33 -16.755 -0.973 2.347 1.00 0.00 C ATOM 490 C LYS A 33 -15.298 -1.012 1.847 1.00 0.00 C ATOM 491 O LYS A 33 -14.634 -2.029 1.923 1.00 0.00 O ATOM 492 CB LYS A 33 -16.849 -0.494 3.784 1.00 0.00 C ATOM 493 CG LYS A 33 -17.897 -1.329 4.510 1.00 0.00 C ATOM 494 CD LYS A 33 -18.635 -0.450 5.516 1.00 0.00 C ATOM 495 CE LYS A 33 -19.658 0.428 4.786 1.00 0.00 C ATOM 496 NZ LYS A 33 -19.592 1.746 5.477 1.00 0.00 N ATOM 0 H LYS A 33 -17.417 -2.811 3.215 1.00 0.00 H new ATOM 0 HA LYS A 33 -17.270 -0.285 1.677 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -15.882 -0.589 4.278 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -17.120 0.561 3.814 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -18.602 -1.752 3.794 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -17.421 -2.166 5.021 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -19.138 -1.072 6.256 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -17.924 0.176 6.056 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -19.414 0.524 3.728 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -20.659 0.001 4.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -20.265 2.404 5.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -19.836 1.624 6.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -18.629 2.131 5.399 1.00 0.00 H new ATOM 510 N ILE A 34 -14.779 0.080 1.351 1.00 0.00 N ATOM 511 CA ILE A 34 -13.366 0.049 0.898 1.00 0.00 C ATOM 512 C ILE A 34 -12.595 1.222 1.505 1.00 0.00 C ATOM 513 O ILE A 34 -13.145 2.269 1.782 1.00 0.00 O ATOM 514 CB ILE A 34 -13.429 0.193 -0.620 1.00 0.00 C ATOM 515 CG1 ILE A 34 -12.634 -0.938 -1.272 1.00 0.00 C ATOM 516 CG2 ILE A 34 -12.833 1.540 -1.033 1.00 0.00 C ATOM 517 CD1 ILE A 34 -13.585 -2.082 -1.623 1.00 0.00 C ATOM 0 H ILE A 34 -15.263 0.971 1.243 1.00 0.00 H new ATOM 0 HA ILE A 34 -12.858 -0.867 1.202 1.00 0.00 H new ATOM 0 HB ILE A 34 -14.468 0.143 -0.946 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -12.134 -0.576 -2.170 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -11.857 -1.290 -0.594 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -12.879 1.641 -2.117 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -13.401 2.347 -0.569 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -11.794 1.593 -0.707 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -13.024 -2.892 -2.089 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -14.065 -2.448 -0.715 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -14.346 -1.723 -2.316 1.00 0.00 H new ATOM 529 N ASP A 35 -11.317 1.049 1.696 1.00 0.00 N ATOM 530 CA ASP A 35 -10.481 2.135 2.277 1.00 0.00 C ATOM 531 C ASP A 35 -9.060 1.987 1.752 1.00 0.00 C ATOM 532 O ASP A 35 -8.176 1.535 2.453 1.00 0.00 O ATOM 533 CB ASP A 35 -10.517 1.915 3.797 1.00 0.00 C ATOM 534 CG ASP A 35 -11.245 3.082 4.470 1.00 0.00 C ATOM 535 OD1 ASP A 35 -12.448 3.182 4.298 1.00 0.00 O ATOM 536 OD2 ASP A 35 -10.586 3.858 5.145 1.00 0.00 O ATOM 0 H ASP A 35 -10.811 0.192 1.472 1.00 0.00 H new ATOM 0 HA ASP A 35 -10.839 3.131 2.016 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -11.023 0.977 4.027 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -9.502 1.833 4.187 1.00 0.00 H new ATOM 541 N VAL A 36 -8.812 2.373 0.539 1.00 0.00 N ATOM 542 CA VAL A 36 -7.442 2.213 0.010 1.00 0.00 C ATOM 543 C VAL A 36 -6.728 3.541 0.188 1.00 0.00 C ATOM 544 O VAL A 36 -7.212 4.575 -0.221 1.00 0.00 O ATOM 545 CB VAL A 36 -7.654 1.914 -1.492 1.00 0.00 C ATOM 546 CG1 VAL A 36 -6.325 1.978 -2.250 1.00 0.00 C ATOM 547 CG2 VAL A 36 -8.272 0.522 -1.682 1.00 0.00 C ATOM 0 H VAL A 36 -9.490 2.787 -0.101 1.00 0.00 H new ATOM 0 HA VAL A 36 -6.856 1.435 0.499 1.00 0.00 H new ATOM 0 HB VAL A 36 -8.332 2.670 -1.889 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -6.497 1.764 -3.305 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -5.895 2.974 -2.147 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -5.636 1.241 -1.838 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -8.414 0.329 -2.745 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -7.606 -0.232 -1.262 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -9.235 0.479 -1.174 1.00 0.00 H new ATOM 557 N GLU A 37 -5.570 3.518 0.814 1.00 0.00 N ATOM 558 CA GLU A 37 -4.841 4.783 1.071 1.00 0.00 C ATOM 559 C GLU A 37 -3.593 4.792 0.210 1.00 0.00 C ATOM 560 O GLU A 37 -2.929 3.795 0.031 1.00 0.00 O ATOM 561 CB GLU A 37 -4.393 4.695 2.540 1.00 0.00 C ATOM 562 CG GLU A 37 -5.570 4.828 3.510 1.00 0.00 C ATOM 563 CD GLU A 37 -5.039 5.092 4.929 1.00 0.00 C ATOM 564 OE1 GLU A 37 -3.848 4.914 5.145 1.00 0.00 O ATOM 565 OE2 GLU A 37 -5.832 5.468 5.775 1.00 0.00 O ATOM 0 H GLU A 37 -5.108 2.674 1.153 1.00 0.00 H new ATOM 0 HA GLU A 37 -5.448 5.664 0.863 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -3.890 3.743 2.709 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -3.665 5.480 2.744 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -6.222 5.643 3.197 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -6.169 3.918 3.498 1.00 0.00 H new ATOM 572 N LYS A 38 -3.366 5.917 -0.395 1.00 0.00 N ATOM 573 CA LYS A 38 -2.225 6.120 -1.352 1.00 0.00 C ATOM 574 C LYS A 38 -1.364 7.357 -1.071 1.00 0.00 C ATOM 575 O LYS A 38 -1.880 8.449 -0.934 1.00 0.00 O ATOM 576 CB LYS A 38 -2.863 6.151 -2.709 1.00 0.00 C ATOM 577 CG LYS A 38 -3.904 7.250 -2.737 1.00 0.00 C ATOM 578 CD LYS A 38 -5.178 6.750 -2.059 1.00 0.00 C ATOM 579 CE LYS A 38 -6.326 6.790 -3.063 1.00 0.00 C ATOM 580 NZ LYS A 38 -7.007 5.473 -2.926 1.00 0.00 N ATOM 0 H LYS A 38 -3.945 6.747 -0.266 1.00 0.00 H new ATOM 0 HA LYS A 38 -1.499 5.313 -1.253 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -2.109 6.327 -3.476 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -3.325 5.189 -2.930 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -3.529 8.136 -2.225 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.115 7.542 -3.766 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -5.035 5.734 -1.692 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -5.413 7.371 -1.195 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -7.009 7.611 -2.848 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -5.957 6.940 -4.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -7.977 5.544 -3.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -6.484 4.754 -3.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -7.036 5.200 -1.923 1.00 0.00 H new ATOM 594 N ILE A 39 -0.083 7.232 -0.993 1.00 0.00 N ATOM 595 CA ILE A 39 0.751 8.443 -0.750 1.00 0.00 C ATOM 596 C ILE A 39 1.976 8.478 -1.675 1.00 0.00 C ATOM 597 O ILE A 39 2.266 7.532 -2.381 1.00 0.00 O ATOM 598 CB ILE A 39 1.199 8.338 0.680 1.00 0.00 C ATOM 599 CG1 ILE A 39 0.837 6.954 1.192 1.00 0.00 C ATOM 600 CG2 ILE A 39 0.495 9.408 1.517 1.00 0.00 C ATOM 601 CD1 ILE A 39 0.790 6.982 2.713 1.00 0.00 C ATOM 0 H ILE A 39 0.430 6.355 -1.085 1.00 0.00 H new ATOM 0 HA ILE A 39 0.183 9.352 -0.947 1.00 0.00 H new ATOM 0 HB ILE A 39 2.276 8.491 0.753 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -0.129 6.646 0.792 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.571 6.223 0.852 1.00 0.00 H new ATOM 0 HG21 ILE A 39 0.821 9.331 2.554 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.746 10.396 1.130 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -0.584 9.260 1.463 1.00 0.00 H new ATOM 0 HD11 ILE A 39 0.531 5.992 3.087 1.00 0.00 H new ATOM 0 HD12 ILE A 39 1.766 7.273 3.102 1.00 0.00 H new ATOM 0 HD13 ILE A 39 0.040 7.702 3.041 1.00 0.00 H new ATOM 613 N ASP A 40 2.690 9.576 -1.670 1.00 0.00 N ATOM 614 CA ASP A 40 3.923 9.677 -2.514 1.00 0.00 C ATOM 615 C ASP A 40 5.216 9.506 -1.668 1.00 0.00 C ATOM 616 O ASP A 40 5.189 9.490 -0.451 1.00 0.00 O ATOM 617 CB ASP A 40 3.847 11.052 -3.156 1.00 0.00 C ATOM 618 CG ASP A 40 5.187 11.770 -3.017 1.00 0.00 C ATOM 619 OD1 ASP A 40 6.172 11.235 -3.504 1.00 0.00 O ATOM 620 OD2 ASP A 40 5.200 12.849 -2.459 1.00 0.00 O ATOM 0 H ASP A 40 2.474 10.407 -1.119 1.00 0.00 H new ATOM 0 HA ASP A 40 3.968 8.884 -3.261 1.00 0.00 H new ATOM 0 HB2 ASP A 40 3.584 10.956 -4.210 1.00 0.00 H new ATOM 0 HB3 ASP A 40 3.060 11.640 -2.684 1.00 0.00 H new ATOM 625 N ILE A 41 6.355 9.389 -2.309 1.00 0.00 N ATOM 626 CA ILE A 41 7.634 9.256 -1.544 1.00 0.00 C ATOM 627 C ILE A 41 7.852 10.515 -0.697 1.00 0.00 C ATOM 628 O ILE A 41 8.325 10.440 0.414 1.00 0.00 O ATOM 629 CB ILE A 41 8.725 9.149 -2.616 1.00 0.00 C ATOM 630 CG1 ILE A 41 10.097 9.164 -1.943 1.00 0.00 C ATOM 631 CG2 ILE A 41 8.618 10.342 -3.572 1.00 0.00 C ATOM 632 CD1 ILE A 41 10.021 8.412 -0.615 1.00 0.00 C ATOM 0 H ILE A 41 6.453 9.380 -3.324 1.00 0.00 H new ATOM 0 HA ILE A 41 7.635 8.398 -0.872 1.00 0.00 H new ATOM 0 HB ILE A 41 8.599 8.221 -3.174 1.00 0.00 H new ATOM 0 HG12 ILE A 41 10.838 8.700 -2.594 1.00 0.00 H new ATOM 0 HG13 ILE A 41 10.420 10.191 -1.774 1.00 0.00 H new ATOM 0 HG21 ILE A 41 9.393 10.268 -4.335 1.00 0.00 H new ATOM 0 HG22 ILE A 41 7.638 10.339 -4.049 1.00 0.00 H new ATOM 0 HG23 ILE A 41 8.747 11.269 -3.013 1.00 0.00 H new ATOM 0 HD11 ILE A 41 10.999 8.422 -0.135 1.00 0.00 H new ATOM 0 HD12 ILE A 41 9.292 8.895 0.036 1.00 0.00 H new ATOM 0 HD13 ILE A 41 9.717 7.381 -0.797 1.00 0.00 H new ATOM 644 N MET A 42 7.503 11.674 -1.205 1.00 0.00 N ATOM 645 CA MET A 42 7.704 12.911 -0.392 1.00 0.00 C ATOM 646 C MET A 42 6.552 13.117 0.602 1.00 0.00 C ATOM 647 O MET A 42 6.578 14.030 1.405 1.00 0.00 O ATOM 648 CB MET A 42 7.720 14.045 -1.417 1.00 0.00 C ATOM 649 CG MET A 42 6.379 14.779 -1.388 1.00 0.00 C ATOM 650 SD MET A 42 6.524 16.264 -0.364 1.00 0.00 S ATOM 651 CE MET A 42 4.845 16.242 0.310 1.00 0.00 C ATOM 0 H MET A 42 7.096 11.814 -2.130 1.00 0.00 H new ATOM 0 HA MET A 42 8.617 12.861 0.201 1.00 0.00 H new ATOM 0 HB2 MET A 42 8.531 14.739 -1.195 1.00 0.00 H new ATOM 0 HB3 MET A 42 7.906 13.646 -2.414 1.00 0.00 H new ATOM 0 HG2 MET A 42 6.079 15.050 -2.400 1.00 0.00 H new ATOM 0 HG3 MET A 42 5.603 14.125 -0.990 1.00 0.00 H new ATOM 0 HE1 MET A 42 4.456 17.259 0.351 1.00 0.00 H new ATOM 0 HE2 MET A 42 4.204 15.634 -0.329 1.00 0.00 H new ATOM 0 HE3 MET A 42 4.862 15.820 1.315 1.00 0.00 H new ATOM 661 N VAL A 43 5.559 12.272 0.576 1.00 0.00 N ATOM 662 CA VAL A 43 4.417 12.440 1.526 1.00 0.00 C ATOM 663 C VAL A 43 4.381 11.267 2.502 1.00 0.00 C ATOM 664 O VAL A 43 4.238 11.443 3.695 1.00 0.00 O ATOM 665 CB VAL A 43 3.149 12.458 0.667 1.00 0.00 C ATOM 666 CG1 VAL A 43 3.519 12.525 -0.816 1.00 0.00 C ATOM 667 CG2 VAL A 43 2.338 11.187 0.933 1.00 0.00 C ATOM 0 H VAL A 43 5.486 11.476 -0.057 1.00 0.00 H new ATOM 0 HA VAL A 43 4.509 13.354 2.112 1.00 0.00 H new ATOM 0 HB VAL A 43 2.556 13.335 0.925 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.610 12.537 -1.418 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.093 13.432 -1.007 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.118 11.654 -1.081 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.435 11.197 0.323 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.938 10.313 0.679 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.063 11.145 1.987 1.00 0.00 H new ATOM 677 N ASP A 44 4.513 10.072 2.008 1.00 0.00 N ATOM 678 CA ASP A 44 4.491 8.900 2.914 1.00 0.00 C ATOM 679 C ASP A 44 5.912 8.357 3.087 1.00 0.00 C ATOM 680 O ASP A 44 6.119 7.161 3.103 1.00 0.00 O ATOM 681 CB ASP A 44 3.610 7.863 2.208 1.00 0.00 C ATOM 682 CG ASP A 44 3.900 6.466 2.765 1.00 0.00 C ATOM 683 OD1 ASP A 44 3.296 6.112 3.764 1.00 0.00 O ATOM 684 OD2 ASP A 44 4.717 5.774 2.181 1.00 0.00 O ATOM 0 H ASP A 44 4.635 9.858 1.018 1.00 0.00 H new ATOM 0 HA ASP A 44 4.111 9.148 3.905 1.00 0.00 H new ATOM 0 HB2 ASP A 44 2.558 8.110 2.351 1.00 0.00 H new ATOM 0 HB3 ASP A 44 3.799 7.883 1.135 1.00 0.00 H new ATOM 689 N ARG A 45 6.903 9.206 3.222 1.00 0.00 N ATOM 690 CA ARG A 45 8.286 8.663 3.363 1.00 0.00 C ATOM 691 C ARG A 45 8.397 7.892 4.673 1.00 0.00 C ATOM 692 O ARG A 45 9.411 7.289 4.984 1.00 0.00 O ATOM 693 CB ARG A 45 9.138 9.932 3.467 1.00 0.00 C ATOM 694 CG ARG A 45 10.568 9.566 3.869 1.00 0.00 C ATOM 695 CD ARG A 45 10.916 10.216 5.218 1.00 0.00 C ATOM 696 NE ARG A 45 12.148 9.512 5.674 1.00 0.00 N ATOM 697 CZ ARG A 45 12.066 8.568 6.572 1.00 0.00 C ATOM 698 NH1 ARG A 45 10.952 7.905 6.723 1.00 0.00 N ATOM 699 NH2 ARG A 45 13.099 8.285 7.320 1.00 0.00 N ATOM 0 H ARG A 45 6.817 10.222 3.240 1.00 0.00 H new ATOM 0 HA ARG A 45 8.576 7.995 2.552 1.00 0.00 H new ATOM 0 HB2 ARG A 45 9.142 10.457 2.512 1.00 0.00 H new ATOM 0 HB3 ARG A 45 8.707 10.611 4.202 1.00 0.00 H new ATOM 0 HG2 ARG A 45 10.669 8.483 3.941 1.00 0.00 H new ATOM 0 HG3 ARG A 45 11.267 9.901 3.103 1.00 0.00 H new ATOM 0 HD2 ARG A 45 11.090 11.286 5.108 1.00 0.00 H new ATOM 0 HD3 ARG A 45 10.104 10.097 5.935 1.00 0.00 H new ATOM 0 HE ARG A 45 13.055 9.768 5.284 1.00 0.00 H new ATOM 0 HH11 ARG A 45 10.145 8.124 6.139 1.00 0.00 H new ATOM 0 HH12 ARG A 45 10.889 7.168 7.425 1.00 0.00 H new ATOM 0 HH21 ARG A 45 13.971 8.802 7.203 1.00 0.00 H new ATOM 0 HH22 ARG A 45 13.034 7.547 8.021 1.00 0.00 H new ATOM 713 N GLU A 46 7.322 7.855 5.398 1.00 0.00 N ATOM 714 CA GLU A 46 7.279 7.085 6.669 1.00 0.00 C ATOM 715 C GLU A 46 7.501 5.602 6.364 1.00 0.00 C ATOM 716 O GLU A 46 7.885 4.834 7.223 1.00 0.00 O ATOM 717 CB GLU A 46 5.902 7.344 7.286 1.00 0.00 C ATOM 718 CG GLU A 46 5.828 8.813 7.720 1.00 0.00 C ATOM 719 CD GLU A 46 5.948 8.911 9.245 1.00 0.00 C ATOM 720 OE1 GLU A 46 5.037 8.467 9.922 1.00 0.00 O ATOM 721 OE2 GLU A 46 6.951 9.432 9.710 1.00 0.00 O ATOM 0 H GLU A 46 6.453 8.334 5.161 1.00 0.00 H new ATOM 0 HA GLU A 46 8.058 7.388 7.368 1.00 0.00 H new ATOM 0 HB2 GLU A 46 5.116 7.123 6.564 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.742 6.688 8.142 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.627 9.382 7.246 1.00 0.00 H new ATOM 0 HG3 GLU A 46 4.886 9.252 7.391 1.00 0.00 H new ATOM 728 N LYS A 47 7.235 5.179 5.149 1.00 0.00 N ATOM 729 CA LYS A 47 7.415 3.739 4.807 1.00 0.00 C ATOM 730 C LYS A 47 8.762 3.282 5.345 1.00 0.00 C ATOM 731 O LYS A 47 8.863 2.462 6.250 1.00 0.00 O ATOM 732 CB LYS A 47 7.422 3.681 3.274 1.00 0.00 C ATOM 733 CG LYS A 47 8.490 2.682 2.831 1.00 0.00 C ATOM 734 CD LYS A 47 8.142 1.298 3.388 1.00 0.00 C ATOM 735 CE LYS A 47 9.417 0.462 3.528 1.00 0.00 C ATOM 736 NZ LYS A 47 10.137 0.646 2.237 1.00 0.00 N ATOM 0 H LYS A 47 6.903 5.769 4.386 1.00 0.00 H new ATOM 0 HA LYS A 47 6.636 3.104 5.228 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.443 3.379 2.902 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.630 4.667 2.859 1.00 0.00 H new ATOM 0 HG2 LYS A 47 8.544 2.647 1.743 1.00 0.00 H new ATOM 0 HG3 LYS A 47 9.470 2.996 3.189 1.00 0.00 H new ATOM 0 HD2 LYS A 47 7.653 1.398 4.357 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.437 0.796 2.726 1.00 0.00 H new ATOM 0 HE2 LYS A 47 10.021 0.800 4.370 1.00 0.00 H new ATOM 0 HE3 LYS A 47 9.184 -0.588 3.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 10.639 -0.231 1.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 9.453 0.875 1.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 10.822 1.423 2.329 1.00 0.00 H new ATOM 750 N ALA A 48 9.786 3.837 4.764 1.00 0.00 N ATOM 751 CA ALA A 48 11.176 3.505 5.180 1.00 0.00 C ATOM 752 C ALA A 48 11.378 3.792 6.683 1.00 0.00 C ATOM 753 O ALA A 48 12.378 3.420 7.260 1.00 0.00 O ATOM 754 CB ALA A 48 12.129 4.315 4.276 1.00 0.00 C ATOM 0 H ALA A 48 9.718 4.517 4.007 1.00 0.00 H new ATOM 0 HA ALA A 48 11.387 2.443 5.057 1.00 0.00 H new ATOM 0 HB1 ALA A 48 13.162 4.099 4.550 1.00 0.00 H new ATOM 0 HB2 ALA A 48 11.965 4.039 3.234 1.00 0.00 H new ATOM 0 HB3 ALA A 48 11.935 5.380 4.404 1.00 0.00 H new ATOM 760 N ILE A 49 10.439 4.401 7.362 1.00 0.00 N ATOM 761 CA ILE A 49 10.670 4.639 8.800 1.00 0.00 C ATOM 762 C ILE A 49 11.631 3.567 9.266 1.00 0.00 C ATOM 763 O ILE A 49 12.583 3.804 9.988 1.00 0.00 O ATOM 764 CB ILE A 49 9.315 4.517 9.520 1.00 0.00 C ATOM 765 CG1 ILE A 49 8.580 3.266 9.048 1.00 0.00 C ATOM 766 CG2 ILE A 49 8.468 5.753 9.220 1.00 0.00 C ATOM 767 CD1 ILE A 49 9.158 2.031 9.750 1.00 0.00 C ATOM 0 H ILE A 49 9.550 4.732 6.988 1.00 0.00 H new ATOM 0 HA ILE A 49 11.087 5.625 9.006 1.00 0.00 H new ATOM 0 HB ILE A 49 9.487 4.442 10.594 1.00 0.00 H new ATOM 0 HG12 ILE A 49 7.515 3.354 9.265 1.00 0.00 H new ATOM 0 HG13 ILE A 49 8.678 3.161 7.967 1.00 0.00 H new ATOM 0 HG21 ILE A 49 7.508 5.668 9.729 1.00 0.00 H new ATOM 0 HG22 ILE A 49 8.988 6.644 9.571 1.00 0.00 H new ATOM 0 HG23 ILE A 49 8.303 5.829 8.145 1.00 0.00 H new ATOM 0 HD11 ILE A 49 8.631 1.139 9.411 1.00 0.00 H new ATOM 0 HD12 ILE A 49 10.217 1.939 9.511 1.00 0.00 H new ATOM 0 HD13 ILE A 49 9.037 2.135 10.828 1.00 0.00 H new ATOM 779 N GLU A 50 11.403 2.383 8.790 1.00 0.00 N ATOM 780 CA GLU A 50 12.303 1.246 9.112 1.00 0.00 C ATOM 781 C GLU A 50 13.748 1.643 8.780 1.00 0.00 C ATOM 782 O GLU A 50 14.633 1.562 9.608 1.00 0.00 O ATOM 783 CB GLU A 50 11.817 0.111 8.209 1.00 0.00 C ATOM 784 CG GLU A 50 11.017 -0.895 9.036 1.00 0.00 C ATOM 785 CD GLU A 50 11.458 -2.313 8.673 1.00 0.00 C ATOM 786 OE1 GLU A 50 12.450 -2.443 7.975 1.00 0.00 O ATOM 787 OE2 GLU A 50 10.796 -3.245 9.100 1.00 0.00 O ATOM 0 H GLU A 50 10.619 2.149 8.181 1.00 0.00 H new ATOM 0 HA GLU A 50 12.285 0.956 10.163 1.00 0.00 H new ATOM 0 HB2 GLU A 50 11.198 0.511 7.406 1.00 0.00 H new ATOM 0 HB3 GLU A 50 12.667 -0.383 7.740 1.00 0.00 H new ATOM 0 HG2 GLU A 50 11.173 -0.714 10.100 1.00 0.00 H new ATOM 0 HG3 GLU A 50 9.951 -0.774 8.845 1.00 0.00 H new ATOM 794 N TYR A 51 13.991 2.086 7.567 1.00 0.00 N ATOM 795 CA TYR A 51 15.374 2.519 7.172 1.00 0.00 C ATOM 796 C TYR A 51 15.361 3.995 6.749 1.00 0.00 C ATOM 797 O TYR A 51 16.311 4.719 6.964 1.00 0.00 O ATOM 798 CB TYR A 51 15.756 1.632 5.989 1.00 0.00 C ATOM 799 CG TYR A 51 14.745 1.790 4.876 1.00 0.00 C ATOM 800 CD1 TYR A 51 13.504 1.153 4.958 1.00 0.00 C ATOM 801 CD2 TYR A 51 15.054 2.571 3.757 1.00 0.00 C ATOM 802 CE1 TYR A 51 12.573 1.294 3.923 1.00 0.00 C ATOM 803 CE2 TYR A 51 14.122 2.713 2.722 1.00 0.00 C ATOM 804 CZ TYR A 51 12.882 2.074 2.806 1.00 0.00 C ATOM 805 OH TYR A 51 11.963 2.209 1.783 1.00 0.00 O ATOM 0 H TYR A 51 13.290 2.167 6.831 1.00 0.00 H new ATOM 0 HA TYR A 51 16.083 2.423 7.994 1.00 0.00 H new ATOM 0 HB2 TYR A 51 16.750 1.899 5.629 1.00 0.00 H new ATOM 0 HB3 TYR A 51 15.801 0.590 6.305 1.00 0.00 H new ATOM 0 HD1 TYR A 51 13.263 0.551 5.822 1.00 0.00 H new ATOM 0 HD2 TYR A 51 16.012 3.065 3.692 1.00 0.00 H new ATOM 0 HE1 TYR A 51 11.615 0.800 3.988 1.00 0.00 H new ATOM 0 HE2 TYR A 51 14.361 3.316 1.859 1.00 0.00 H new ATOM 0 HH TYR A 51 12.416 2.102 0.920 1.00 0.00 H new ATOM 815 N GLY A 52 14.283 4.442 6.166 1.00 0.00 N ATOM 816 CA GLY A 52 14.174 5.876 5.732 1.00 0.00 C ATOM 817 C GLY A 52 15.475 6.366 5.077 1.00 0.00 C ATOM 818 O GLY A 52 15.633 7.526 4.738 1.00 0.00 O ATOM 0 H GLY A 52 13.460 3.873 5.967 1.00 0.00 H new ATOM 0 HA2 GLY A 52 13.348 5.983 5.028 1.00 0.00 H new ATOM 0 HA3 GLY A 52 13.941 6.501 6.594 1.00 0.00 H new ATOM 822 N LEU A 53 16.362 5.467 4.841 1.00 0.00 N ATOM 823 CA LEU A 53 17.642 5.767 4.124 1.00 0.00 C ATOM 824 C LEU A 53 17.279 5.910 2.650 1.00 0.00 C ATOM 825 O LEU A 53 17.180 7.006 2.105 1.00 0.00 O ATOM 826 CB LEU A 53 18.638 4.661 4.446 1.00 0.00 C ATOM 827 CG LEU A 53 18.608 4.433 5.963 1.00 0.00 C ATOM 828 CD1 LEU A 53 19.924 3.808 6.413 1.00 0.00 C ATOM 829 CD2 LEU A 53 18.414 5.776 6.698 1.00 0.00 C ATOM 0 H LEU A 53 16.263 4.491 5.121 1.00 0.00 H new ATOM 0 HA LEU A 53 18.129 6.692 4.431 1.00 0.00 H new ATOM 0 HB2 LEU A 53 18.377 3.745 3.916 1.00 0.00 H new ATOM 0 HB3 LEU A 53 19.640 4.942 4.121 1.00 0.00 H new ATOM 0 HG LEU A 53 17.779 3.766 6.201 1.00 0.00 H new ATOM 0 HD11 LEU A 53 19.901 3.647 7.491 1.00 0.00 H new ATOM 0 HD12 LEU A 53 20.065 2.853 5.906 1.00 0.00 H new ATOM 0 HD13 LEU A 53 20.748 4.476 6.164 1.00 0.00 H new ATOM 0 HD21 LEU A 53 18.394 5.602 7.774 1.00 0.00 H new ATOM 0 HD22 LEU A 53 19.238 6.447 6.454 1.00 0.00 H new ATOM 0 HD23 LEU A 53 17.473 6.229 6.386 1.00 0.00 H new ATOM 841 N MET A 54 17.154 4.785 2.006 1.00 0.00 N ATOM 842 CA MET A 54 16.787 4.744 0.574 1.00 0.00 C ATOM 843 C MET A 54 15.266 4.534 0.440 1.00 0.00 C ATOM 844 O MET A 54 14.817 3.526 -0.080 1.00 0.00 O ATOM 845 CB MET A 54 17.549 3.528 0.052 1.00 0.00 C ATOM 846 CG MET A 54 19.022 3.903 -0.031 1.00 0.00 C ATOM 847 SD MET A 54 20.022 2.596 0.703 1.00 0.00 S ATOM 848 CE MET A 54 19.446 1.266 -0.375 1.00 0.00 C ATOM 0 H MET A 54 17.296 3.868 2.430 1.00 0.00 H new ATOM 0 HA MET A 54 17.029 5.657 0.030 1.00 0.00 H new ATOM 0 HB2 MET A 54 17.409 2.675 0.716 1.00 0.00 H new ATOM 0 HB3 MET A 54 17.174 3.234 -0.928 1.00 0.00 H new ATOM 0 HG2 MET A 54 19.311 4.055 -1.071 1.00 0.00 H new ATOM 0 HG3 MET A 54 19.198 4.845 0.489 1.00 0.00 H new ATOM 0 HE1 MET A 54 20.245 0.537 -0.512 1.00 0.00 H new ATOM 0 HE2 MET A 54 18.583 0.778 0.078 1.00 0.00 H new ATOM 0 HE3 MET A 54 19.163 1.679 -1.343 1.00 0.00 H new ATOM 858 N ALA A 55 14.443 5.447 0.894 1.00 0.00 N ATOM 859 CA ALA A 55 12.982 5.183 0.790 1.00 0.00 C ATOM 860 C ALA A 55 12.364 6.054 -0.286 1.00 0.00 C ATOM 861 O ALA A 55 12.413 7.266 -0.232 1.00 0.00 O ATOM 862 CB ALA A 55 12.456 5.639 2.156 1.00 0.00 C ATOM 0 H ALA A 55 14.711 6.335 1.318 1.00 0.00 H new ATOM 0 HA ALA A 55 12.754 4.146 0.542 1.00 0.00 H new ATOM 0 HB1 ALA A 55 11.377 5.491 2.198 1.00 0.00 H new ATOM 0 HB2 ALA A 55 12.934 5.055 2.943 1.00 0.00 H new ATOM 0 HB3 ALA A 55 12.683 6.695 2.299 1.00 0.00 H new ATOM 868 N VAL A 56 11.777 5.410 -1.274 1.00 0.00 N ATOM 869 CA VAL A 56 11.153 6.144 -2.414 1.00 0.00 C ATOM 870 C VAL A 56 9.950 5.382 -2.981 1.00 0.00 C ATOM 871 O VAL A 56 8.851 5.902 -2.978 1.00 0.00 O ATOM 872 CB VAL A 56 12.239 6.250 -3.475 1.00 0.00 C ATOM 873 CG1 VAL A 56 12.489 7.724 -3.770 1.00 0.00 C ATOM 874 CG2 VAL A 56 13.534 5.596 -2.985 1.00 0.00 C ATOM 0 H VAL A 56 11.706 4.394 -1.333 1.00 0.00 H new ATOM 0 HA VAL A 56 10.785 7.118 -2.093 1.00 0.00 H new ATOM 0 HB VAL A 56 11.914 5.734 -4.378 1.00 0.00 H new ATOM 0 HG11 VAL A 56 13.266 7.816 -4.529 1.00 0.00 H new ATOM 0 HG12 VAL A 56 11.570 8.183 -4.133 1.00 0.00 H new ATOM 0 HG13 VAL A 56 12.811 8.228 -2.859 1.00 0.00 H new ATOM 0 HG21 VAL A 56 14.299 5.681 -3.757 1.00 0.00 H new ATOM 0 HG22 VAL A 56 13.875 6.097 -2.079 1.00 0.00 H new ATOM 0 HG23 VAL A 56 13.351 4.543 -2.770 1.00 0.00 H new ATOM 884 N PRO A 57 10.165 4.163 -3.416 1.00 0.00 N ATOM 885 CA PRO A 57 9.038 3.353 -3.908 1.00 0.00 C ATOM 886 C PRO A 57 8.740 2.226 -2.943 1.00 0.00 C ATOM 887 O PRO A 57 9.472 1.268 -2.802 1.00 0.00 O ATOM 888 CB PRO A 57 9.677 2.702 -5.146 1.00 0.00 C ATOM 889 CG PRO A 57 11.171 2.651 -4.854 1.00 0.00 C ATOM 890 CD PRO A 57 11.449 3.491 -3.612 1.00 0.00 C ATOM 0 HA PRO A 57 8.124 3.927 -4.063 1.00 0.00 H new ATOM 0 HB2 PRO A 57 9.276 1.703 -5.315 1.00 0.00 H new ATOM 0 HB3 PRO A 57 9.472 3.284 -6.045 1.00 0.00 H new ATOM 0 HG2 PRO A 57 11.491 1.621 -4.695 1.00 0.00 H new ATOM 0 HG3 PRO A 57 11.737 3.033 -5.704 1.00 0.00 H new ATOM 0 HD2 PRO A 57 11.724 2.876 -2.755 1.00 0.00 H new ATOM 0 HD3 PRO A 57 12.262 4.200 -3.770 1.00 0.00 H new ATOM 898 N ALA A 58 7.615 2.362 -2.282 1.00 0.00 N ATOM 899 CA ALA A 58 7.179 1.371 -1.270 1.00 0.00 C ATOM 900 C ALA A 58 5.677 1.501 -0.977 1.00 0.00 C ATOM 901 O ALA A 58 5.003 2.406 -1.434 1.00 0.00 O ATOM 902 CB ALA A 58 7.984 1.722 -0.022 1.00 0.00 C ATOM 0 H ALA A 58 6.970 3.142 -2.412 1.00 0.00 H new ATOM 0 HA ALA A 58 7.342 0.348 -1.609 1.00 0.00 H new ATOM 0 HB1 ALA A 58 7.724 1.035 0.784 1.00 0.00 H new ATOM 0 HB2 ALA A 58 9.049 1.639 -0.240 1.00 0.00 H new ATOM 0 HB3 ALA A 58 7.755 2.743 0.283 1.00 0.00 H new ATOM 908 N ILE A 59 5.152 0.609 -0.199 1.00 0.00 N ATOM 909 CA ILE A 59 3.712 0.682 0.139 1.00 0.00 C ATOM 910 C ILE A 59 3.570 0.456 1.620 1.00 0.00 C ATOM 911 O ILE A 59 4.374 -0.251 2.212 1.00 0.00 O ATOM 912 CB ILE A 59 3.093 -0.482 -0.661 1.00 0.00 C ATOM 913 CG1 ILE A 59 2.462 0.055 -1.945 1.00 0.00 C ATOM 914 CG2 ILE A 59 2.020 -1.194 0.168 1.00 0.00 C ATOM 915 CD1 ILE A 59 3.256 1.268 -2.421 1.00 0.00 C ATOM 0 H ILE A 59 5.659 -0.171 0.220 1.00 0.00 H new ATOM 0 HA ILE A 59 3.237 1.634 -0.098 1.00 0.00 H new ATOM 0 HB ILE A 59 3.882 -1.193 -0.905 1.00 0.00 H new ATOM 0 HG12 ILE A 59 2.458 -0.718 -2.714 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.423 0.332 -1.766 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.595 -2.012 -0.413 1.00 0.00 H new ATOM 0 HG22 ILE A 59 2.468 -1.590 1.079 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.233 -0.487 0.429 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.812 1.657 -3.337 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.237 2.040 -1.652 1.00 0.00 H new ATOM 0 HD13 ILE A 59 4.288 0.974 -2.614 1.00 0.00 H new ATOM 927 N ALA A 60 2.575 0.977 2.258 1.00 0.00 N ATOM 928 CA ALA A 60 2.522 0.712 3.700 1.00 0.00 C ATOM 929 C ALA A 60 1.704 -0.523 3.786 1.00 0.00 C ATOM 930 O ALA A 60 0.936 -0.802 2.886 1.00 0.00 O ATOM 931 CB ALA A 60 1.737 1.937 4.257 1.00 0.00 C ATOM 0 H ALA A 60 1.828 1.549 1.864 1.00 0.00 H new ATOM 0 HA ALA A 60 3.468 0.587 4.227 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.637 1.844 5.338 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.277 2.854 4.021 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.747 1.972 3.802 1.00 0.00 H new ATOM 937 N ILE A 61 1.841 -1.296 4.805 1.00 0.00 N ATOM 938 CA ILE A 61 1.093 -2.527 4.791 1.00 0.00 C ATOM 939 C ILE A 61 -0.074 -2.284 5.669 1.00 0.00 C ATOM 940 O ILE A 61 -0.032 -2.447 6.866 1.00 0.00 O ATOM 941 CB ILE A 61 2.061 -3.528 5.466 1.00 0.00 C ATOM 942 CG1 ILE A 61 3.541 -3.188 5.154 1.00 0.00 C ATOM 943 CG2 ILE A 61 1.800 -4.986 5.098 1.00 0.00 C ATOM 944 CD1 ILE A 61 4.456 -4.384 5.511 1.00 0.00 C ATOM 0 H ILE A 61 2.427 -1.124 5.622 1.00 0.00 H new ATOM 0 HA ILE A 61 0.758 -2.876 3.814 1.00 0.00 H new ATOM 0 HB ILE A 61 1.869 -3.420 6.533 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.649 -2.942 4.098 1.00 0.00 H new ATOM 0 HG13 ILE A 61 3.846 -2.307 5.720 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.519 -5.625 5.611 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.790 -5.262 5.400 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.905 -5.114 4.021 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.492 -4.130 5.286 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.360 -4.611 6.573 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.161 -5.255 4.926 1.00 0.00 H new ATOM 956 N ASN A 62 -1.113 -1.832 5.018 1.00 0.00 N ATOM 957 CA ASN A 62 -2.368 -1.489 5.695 1.00 0.00 C ATOM 958 C ASN A 62 -2.747 -2.672 6.529 1.00 0.00 C ATOM 959 O ASN A 62 -3.513 -3.527 6.140 1.00 0.00 O ATOM 960 CB ASN A 62 -3.370 -1.207 4.563 1.00 0.00 C ATOM 961 CG ASN A 62 -3.862 0.245 4.650 1.00 0.00 C ATOM 962 OD1 ASN A 62 -4.961 0.551 4.244 1.00 0.00 O ATOM 963 ND2 ASN A 62 -3.085 1.165 5.165 1.00 0.00 N ATOM 0 H ASN A 62 -1.129 -1.686 4.009 1.00 0.00 H new ATOM 0 HA ASN A 62 -2.317 -0.623 6.354 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -2.899 -1.383 3.596 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -4.215 -1.891 4.635 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -3.407 2.131 5.222 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -2.158 0.915 5.509 1.00 0.00 H new ATOM 970 N GLY A 63 -2.169 -2.735 7.680 1.00 0.00 N ATOM 971 CA GLY A 63 -2.422 -3.866 8.587 1.00 0.00 C ATOM 972 C GLY A 63 -1.309 -3.889 9.619 1.00 0.00 C ATOM 973 O GLY A 63 -1.541 -4.058 10.796 1.00 0.00 O ATOM 0 H GLY A 63 -1.518 -2.036 8.038 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.392 -3.757 9.073 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -2.448 -4.803 8.031 1.00 0.00 H new ATOM 977 N VAL A 64 -0.095 -3.709 9.174 1.00 0.00 N ATOM 978 CA VAL A 64 1.058 -3.712 10.117 1.00 0.00 C ATOM 979 C VAL A 64 1.910 -2.436 9.958 1.00 0.00 C ATOM 980 O VAL A 64 2.079 -1.688 10.900 1.00 0.00 O ATOM 981 CB VAL A 64 1.849 -4.968 9.755 1.00 0.00 C ATOM 982 CG1 VAL A 64 0.900 -6.170 9.761 1.00 0.00 C ATOM 983 CG2 VAL A 64 2.456 -4.813 8.359 1.00 0.00 C ATOM 0 H VAL A 64 0.148 -3.560 8.195 1.00 0.00 H new ATOM 0 HA VAL A 64 0.741 -3.720 11.160 1.00 0.00 H new ATOM 0 HB VAL A 64 2.649 -5.118 10.480 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.454 -7.073 9.504 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.462 -6.283 10.753 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.107 -6.011 9.031 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.019 -5.711 8.105 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.659 -4.666 7.630 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.123 -3.951 8.346 1.00 0.00 H new ATOM 993 N VAL A 65 2.452 -2.167 8.791 1.00 0.00 N ATOM 994 CA VAL A 65 3.286 -0.921 8.651 1.00 0.00 C ATOM 995 C VAL A 65 3.521 -0.519 7.188 1.00 0.00 C ATOM 996 O VAL A 65 2.678 0.083 6.557 1.00 0.00 O ATOM 997 CB VAL A 65 4.619 -1.264 9.312 1.00 0.00 C ATOM 998 CG1 VAL A 65 5.601 -0.106 9.111 1.00 0.00 C ATOM 999 CG2 VAL A 65 4.403 -1.492 10.808 1.00 0.00 C ATOM 0 H VAL A 65 2.359 -2.736 7.950 1.00 0.00 H new ATOM 0 HA VAL A 65 2.779 -0.072 9.110 1.00 0.00 H new ATOM 0 HB VAL A 65 5.025 -2.169 8.861 1.00 0.00 H new ATOM 0 HG11 VAL A 65 6.553 -0.350 9.583 1.00 0.00 H new ATOM 0 HG12 VAL A 65 5.756 0.059 8.045 1.00 0.00 H new ATOM 0 HG13 VAL A 65 5.194 0.799 9.562 1.00 0.00 H new ATOM 0 HG21 VAL A 65 5.355 -1.737 11.280 1.00 0.00 H new ATOM 0 HG22 VAL A 65 3.997 -0.587 11.259 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.704 -2.315 10.953 1.00 0.00 H new ATOM 1009 N ARG A 66 4.688 -0.812 6.665 1.00 0.00 N ATOM 1010 CA ARG A 66 5.025 -0.408 5.258 1.00 0.00 C ATOM 1011 C ARG A 66 6.294 -1.144 4.808 1.00 0.00 C ATOM 1012 O ARG A 66 7.030 -1.668 5.617 1.00 0.00 O ATOM 1013 CB ARG A 66 5.294 1.106 5.321 1.00 0.00 C ATOM 1014 CG ARG A 66 5.164 1.716 3.922 1.00 0.00 C ATOM 1015 CD ARG A 66 4.448 3.068 4.014 1.00 0.00 C ATOM 1016 NE ARG A 66 4.500 3.442 5.456 1.00 0.00 N ATOM 1017 CZ ARG A 66 3.580 4.220 5.962 1.00 0.00 C ATOM 1018 NH1 ARG A 66 3.695 5.518 5.866 1.00 0.00 N ATOM 1019 NH2 ARG A 66 2.545 3.701 6.564 1.00 0.00 N ATOM 0 H ARG A 66 5.427 -1.317 7.154 1.00 0.00 H new ATOM 0 HA ARG A 66 4.227 -0.649 4.556 1.00 0.00 H new ATOM 0 HB2 ARG A 66 4.588 1.582 6.002 1.00 0.00 H new ATOM 0 HB3 ARG A 66 6.293 1.291 5.717 1.00 0.00 H new ATOM 0 HG2 ARG A 66 6.151 1.845 3.478 1.00 0.00 H new ATOM 0 HG3 ARG A 66 4.607 1.042 3.271 1.00 0.00 H new ATOM 0 HD2 ARG A 66 4.941 3.817 3.395 1.00 0.00 H new ATOM 0 HD3 ARG A 66 3.419 2.993 3.664 1.00 0.00 H new ATOM 0 HE ARG A 66 5.253 3.091 6.047 1.00 0.00 H new ATOM 0 HH11 ARG A 66 4.503 5.925 5.396 1.00 0.00 H new ATOM 0 HH12 ARG A 66 2.976 6.124 6.261 1.00 0.00 H new ATOM 0 HH21 ARG A 66 2.454 2.688 6.640 1.00 0.00 H new ATOM 0 HH22 ARG A 66 1.827 4.308 6.959 1.00 0.00 H new ATOM 1033 N PHE A 67 6.524 -1.241 3.519 1.00 0.00 N ATOM 1034 CA PHE A 67 7.719 -2.005 3.029 1.00 0.00 C ATOM 1035 C PHE A 67 8.304 -1.386 1.757 1.00 0.00 C ATOM 1036 O PHE A 67 7.779 -0.439 1.206 1.00 0.00 O ATOM 1037 CB PHE A 67 7.169 -3.395 2.689 1.00 0.00 C ATOM 1038 CG PHE A 67 6.869 -3.466 1.204 1.00 0.00 C ATOM 1039 CD1 PHE A 67 6.394 -2.334 0.526 1.00 0.00 C ATOM 1040 CD2 PHE A 67 7.073 -4.663 0.503 1.00 0.00 C ATOM 1041 CE1 PHE A 67 6.124 -2.402 -0.849 1.00 0.00 C ATOM 1042 CE2 PHE A 67 6.801 -4.729 -0.870 1.00 0.00 C ATOM 1043 CZ PHE A 67 6.327 -3.599 -1.546 1.00 0.00 C ATOM 0 H PHE A 67 5.942 -0.828 2.790 1.00 0.00 H new ATOM 0 HA PHE A 67 8.513 -2.012 3.775 1.00 0.00 H new ATOM 0 HB2 PHE A 67 7.893 -4.162 2.962 1.00 0.00 H new ATOM 0 HB3 PHE A 67 6.264 -3.591 3.264 1.00 0.00 H new ATOM 0 HD1 PHE A 67 6.236 -1.410 1.062 1.00 0.00 H new ATOM 0 HD2 PHE A 67 7.440 -5.536 1.022 1.00 0.00 H new ATOM 0 HE1 PHE A 67 5.759 -1.530 -1.371 1.00 0.00 H new ATOM 0 HE2 PHE A 67 6.957 -5.653 -1.407 1.00 0.00 H new ATOM 0 HZ PHE A 67 6.118 -3.650 -2.604 1.00 0.00 H new ATOM 1053 N VAL A 68 9.398 -1.931 1.293 1.00 0.00 N ATOM 1054 CA VAL A 68 10.024 -1.420 0.040 1.00 0.00 C ATOM 1055 C VAL A 68 9.344 -2.045 -1.187 1.00 0.00 C ATOM 1056 O VAL A 68 9.369 -3.246 -1.366 1.00 0.00 O ATOM 1057 CB VAL A 68 11.499 -1.821 0.129 1.00 0.00 C ATOM 1058 CG1 VAL A 68 12.190 -1.506 -1.198 1.00 0.00 C ATOM 1059 CG2 VAL A 68 12.161 -1.018 1.251 1.00 0.00 C ATOM 0 H VAL A 68 9.886 -2.712 1.731 1.00 0.00 H new ATOM 0 HA VAL A 68 9.917 -0.341 -0.066 1.00 0.00 H new ATOM 0 HB VAL A 68 11.584 -2.888 0.336 1.00 0.00 H new ATOM 0 HG11 VAL A 68 13.241 -1.790 -1.138 1.00 0.00 H new ATOM 0 HG12 VAL A 68 11.708 -2.064 -2.001 1.00 0.00 H new ATOM 0 HG13 VAL A 68 12.114 -0.438 -1.403 1.00 0.00 H new ATOM 0 HG21 VAL A 68 13.213 -1.295 1.325 1.00 0.00 H new ATOM 0 HG22 VAL A 68 12.080 0.047 1.033 1.00 0.00 H new ATOM 0 HG23 VAL A 68 11.662 -1.234 2.196 1.00 0.00 H new ATOM 1069 N GLY A 69 8.746 -1.265 -2.045 1.00 0.00 N ATOM 1070 CA GLY A 69 8.109 -1.882 -3.247 1.00 0.00 C ATOM 1071 C GLY A 69 7.855 -0.822 -4.318 1.00 0.00 C ATOM 1072 O GLY A 69 6.969 -0.004 -4.193 1.00 0.00 O ATOM 0 H GLY A 69 8.670 -0.250 -1.972 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.754 -2.665 -3.647 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.169 -2.356 -2.965 1.00 0.00 H new ATOM 1076 N ALA A 70 8.608 -0.840 -5.385 1.00 0.00 N ATOM 1077 CA ALA A 70 8.370 0.159 -6.463 1.00 0.00 C ATOM 1078 C ALA A 70 7.346 -0.415 -7.438 1.00 0.00 C ATOM 1079 O ALA A 70 6.171 -0.125 -7.333 1.00 0.00 O ATOM 1080 CB ALA A 70 9.721 0.381 -7.137 1.00 0.00 C ATOM 0 H ALA A 70 9.370 -1.497 -5.555 1.00 0.00 H new ATOM 0 HA ALA A 70 7.978 1.105 -6.089 1.00 0.00 H new ATOM 0 HB1 ALA A 70 9.611 1.108 -7.941 1.00 0.00 H new ATOM 0 HB2 ALA A 70 10.436 0.755 -6.404 1.00 0.00 H new ATOM 0 HB3 ALA A 70 10.082 -0.562 -7.547 1.00 0.00 H new ATOM 1086 N PRO A 71 7.800 -1.246 -8.335 1.00 0.00 N ATOM 1087 CA PRO A 71 6.854 -1.886 -9.277 1.00 0.00 C ATOM 1088 C PRO A 71 6.230 -3.113 -8.615 1.00 0.00 C ATOM 1089 O PRO A 71 5.663 -3.964 -9.270 1.00 0.00 O ATOM 1090 CB PRO A 71 7.762 -2.350 -10.411 1.00 0.00 C ATOM 1091 CG PRO A 71 9.114 -2.544 -9.779 1.00 0.00 C ATOM 1092 CD PRO A 71 9.192 -1.643 -8.570 1.00 0.00 C ATOM 0 HA PRO A 71 6.047 -1.226 -9.596 1.00 0.00 H new ATOM 0 HB2 PRO A 71 7.397 -3.277 -10.853 1.00 0.00 H new ATOM 0 HB3 PRO A 71 7.803 -1.610 -11.210 1.00 0.00 H new ATOM 0 HG2 PRO A 71 9.254 -3.585 -9.489 1.00 0.00 H new ATOM 0 HG3 PRO A 71 9.905 -2.301 -10.488 1.00 0.00 H new ATOM 0 HD2 PRO A 71 9.609 -2.165 -7.709 1.00 0.00 H new ATOM 0 HD3 PRO A 71 9.828 -0.778 -8.757 1.00 0.00 H new ATOM 1100 N SER A 72 6.327 -3.204 -7.312 1.00 0.00 N ATOM 1101 CA SER A 72 5.744 -4.381 -6.598 1.00 0.00 C ATOM 1102 C SER A 72 4.430 -4.001 -5.915 1.00 0.00 C ATOM 1103 O SER A 72 4.301 -4.084 -4.710 1.00 0.00 O ATOM 1104 CB SER A 72 6.786 -4.780 -5.555 1.00 0.00 C ATOM 1105 OG SER A 72 7.570 -5.853 -6.060 1.00 0.00 O ATOM 0 H SER A 72 6.784 -2.516 -6.713 1.00 0.00 H new ATOM 0 HA SER A 72 5.520 -5.197 -7.285 1.00 0.00 H new ATOM 0 HB2 SER A 72 7.424 -3.929 -5.318 1.00 0.00 H new ATOM 0 HB3 SER A 72 6.295 -5.078 -4.629 1.00 0.00 H new ATOM 0 HG SER A 72 8.241 -6.110 -5.393 1.00 0.00 H new ATOM 1111 N ARG A 73 3.448 -3.612 -6.677 1.00 0.00 N ATOM 1112 CA ARG A 73 2.132 -3.252 -6.071 1.00 0.00 C ATOM 1113 C ARG A 73 1.463 -4.517 -5.523 1.00 0.00 C ATOM 1114 O ARG A 73 0.748 -4.477 -4.542 1.00 0.00 O ATOM 1115 CB ARG A 73 1.309 -2.629 -7.198 1.00 0.00 C ATOM 1116 CG ARG A 73 2.059 -1.413 -7.742 1.00 0.00 C ATOM 1117 CD ARG A 73 1.588 -1.118 -9.164 1.00 0.00 C ATOM 1118 NE ARG A 73 2.768 -0.514 -9.843 1.00 0.00 N ATOM 1119 CZ ARG A 73 2.970 -0.735 -11.112 1.00 0.00 C ATOM 1120 NH1 ARG A 73 2.161 -0.225 -12.000 1.00 0.00 N ATOM 1121 NH2 ARG A 73 3.981 -1.467 -11.495 1.00 0.00 N ATOM 0 H ARG A 73 3.497 -3.527 -7.692 1.00 0.00 H new ATOM 0 HA ARG A 73 2.231 -2.554 -5.239 1.00 0.00 H new ATOM 0 HB2 ARG A 73 1.145 -3.357 -7.992 1.00 0.00 H new ATOM 0 HB3 ARG A 73 0.327 -2.333 -6.829 1.00 0.00 H new ATOM 0 HG2 ARG A 73 1.883 -0.548 -7.103 1.00 0.00 H new ATOM 0 HG3 ARG A 73 3.133 -1.602 -7.735 1.00 0.00 H new ATOM 0 HD2 ARG A 73 1.265 -2.028 -9.669 1.00 0.00 H new ATOM 0 HD3 ARG A 73 0.739 -0.434 -9.165 1.00 0.00 H new ATOM 0 HE ARG A 73 3.417 0.071 -9.316 1.00 0.00 H new ATOM 0 HH11 ARG A 73 1.371 0.347 -11.701 1.00 0.00 H new ATOM 0 HH12 ARG A 73 2.319 -0.398 -12.993 1.00 0.00 H new ATOM 0 HH21 ARG A 73 4.613 -1.866 -10.801 1.00 0.00 H new ATOM 0 HH22 ARG A 73 4.139 -1.640 -12.488 1.00 0.00 H new ATOM 1135 N GLU A 74 1.705 -5.643 -6.146 1.00 0.00 N ATOM 1136 CA GLU A 74 1.097 -6.914 -5.661 1.00 0.00 C ATOM 1137 C GLU A 74 1.312 -7.038 -4.155 1.00 0.00 C ATOM 1138 O GLU A 74 0.413 -7.379 -3.411 1.00 0.00 O ATOM 1139 CB GLU A 74 1.827 -8.032 -6.407 1.00 0.00 C ATOM 1140 CG GLU A 74 0.805 -8.870 -7.179 1.00 0.00 C ATOM 1141 CD GLU A 74 0.192 -9.917 -6.247 1.00 0.00 C ATOM 1142 OE1 GLU A 74 0.936 -10.513 -5.486 1.00 0.00 O ATOM 1143 OE2 GLU A 74 -1.012 -10.105 -6.310 1.00 0.00 O ATOM 0 H GLU A 74 2.299 -5.734 -6.970 1.00 0.00 H new ATOM 0 HA GLU A 74 0.023 -6.957 -5.843 1.00 0.00 H new ATOM 0 HB2 GLU A 74 2.561 -7.609 -7.093 1.00 0.00 H new ATOM 0 HB3 GLU A 74 2.373 -8.660 -5.703 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.024 -8.227 -7.584 1.00 0.00 H new ATOM 0 HG3 GLU A 74 1.286 -9.359 -8.026 1.00 0.00 H new ATOM 1150 N GLU A 75 2.502 -6.760 -3.702 1.00 0.00 N ATOM 1151 CA GLU A 75 2.776 -6.855 -2.243 1.00 0.00 C ATOM 1152 C GLU A 75 1.633 -6.192 -1.479 1.00 0.00 C ATOM 1153 O GLU A 75 1.303 -6.570 -0.373 1.00 0.00 O ATOM 1154 CB GLU A 75 4.078 -6.080 -2.042 1.00 0.00 C ATOM 1155 CG GLU A 75 5.165 -7.023 -1.532 1.00 0.00 C ATOM 1156 CD GLU A 75 5.430 -6.739 -0.054 1.00 0.00 C ATOM 1157 OE1 GLU A 75 4.724 -5.917 0.507 1.00 0.00 O ATOM 1158 OE2 GLU A 75 6.334 -7.349 0.493 1.00 0.00 O ATOM 0 H GLU A 75 3.294 -6.472 -4.277 1.00 0.00 H new ATOM 0 HA GLU A 75 2.859 -7.882 -1.887 1.00 0.00 H new ATOM 0 HB2 GLU A 75 4.390 -5.624 -2.982 1.00 0.00 H new ATOM 0 HB3 GLU A 75 3.924 -5.269 -1.330 1.00 0.00 H new ATOM 0 HG2 GLU A 75 4.854 -8.059 -1.665 1.00 0.00 H new ATOM 0 HG3 GLU A 75 6.080 -6.888 -2.109 1.00 0.00 H new ATOM 1165 N LEU A 76 1.007 -5.222 -2.082 1.00 0.00 N ATOM 1166 CA LEU A 76 -0.140 -4.548 -1.420 1.00 0.00 C ATOM 1167 C LEU A 76 -1.327 -5.511 -1.376 1.00 0.00 C ATOM 1168 O LEU A 76 -2.046 -5.590 -0.401 1.00 0.00 O ATOM 1169 CB LEU A 76 -0.464 -3.346 -2.310 1.00 0.00 C ATOM 1170 CG LEU A 76 0.625 -2.284 -2.161 1.00 0.00 C ATOM 1171 CD1 LEU A 76 2.003 -2.946 -2.215 1.00 0.00 C ATOM 1172 CD2 LEU A 76 0.503 -1.271 -3.302 1.00 0.00 C ATOM 0 H LEU A 76 1.242 -4.866 -3.009 1.00 0.00 H new ATOM 0 HA LEU A 76 0.081 -4.243 -0.397 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -0.537 -3.662 -3.351 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -1.432 -2.928 -2.035 1.00 0.00 H new ATOM 0 HG LEU A 76 0.507 -1.776 -1.204 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.776 -2.185 -2.108 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.091 -3.669 -1.404 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.125 -3.456 -3.171 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.278 -0.512 -3.199 1.00 0.00 H new ATOM 0 HD22 LEU A 76 0.621 -1.783 -4.257 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.477 -0.796 -3.264 1.00 0.00 H new ATOM 1184 N PHE A 77 -1.530 -6.252 -2.434 1.00 0.00 N ATOM 1185 CA PHE A 77 -2.669 -7.217 -2.471 1.00 0.00 C ATOM 1186 C PHE A 77 -2.528 -8.232 -1.330 1.00 0.00 C ATOM 1187 O PHE A 77 -3.486 -8.580 -0.662 1.00 0.00 O ATOM 1188 CB PHE A 77 -2.549 -7.901 -3.838 1.00 0.00 C ATOM 1189 CG PHE A 77 -2.775 -9.384 -3.686 1.00 0.00 C ATOM 1190 CD1 PHE A 77 -1.696 -10.233 -3.422 1.00 0.00 C ATOM 1191 CD2 PHE A 77 -4.065 -9.907 -3.800 1.00 0.00 C ATOM 1192 CE1 PHE A 77 -1.909 -11.606 -3.271 1.00 0.00 C ATOM 1193 CE2 PHE A 77 -4.278 -11.281 -3.651 1.00 0.00 C ATOM 1194 CZ PHE A 77 -3.200 -12.130 -3.385 1.00 0.00 C ATOM 0 H PHE A 77 -0.955 -6.230 -3.276 1.00 0.00 H new ATOM 0 HA PHE A 77 -3.639 -6.737 -2.343 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -3.279 -7.481 -4.531 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -1.563 -7.715 -4.263 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -0.699 -9.828 -3.335 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -4.898 -9.250 -4.003 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -1.076 -12.262 -3.066 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -5.275 -11.686 -3.741 1.00 0.00 H new ATOM 0 HZ PHE A 77 -3.364 -13.191 -3.268 1.00 0.00 H new ATOM 1204 N GLU A 78 -1.326 -8.683 -1.101 1.00 0.00 N ATOM 1205 CA GLU A 78 -1.073 -9.655 -0.001 1.00 0.00 C ATOM 1206 C GLU A 78 -1.062 -8.927 1.347 1.00 0.00 C ATOM 1207 O GLU A 78 -1.357 -9.503 2.376 1.00 0.00 O ATOM 1208 CB GLU A 78 0.278 -10.311 -0.312 1.00 0.00 C ATOM 1209 CG GLU A 78 0.464 -11.515 0.612 1.00 0.00 C ATOM 1210 CD GLU A 78 1.528 -11.189 1.656 1.00 0.00 C ATOM 1211 OE1 GLU A 78 1.877 -10.026 1.766 1.00 0.00 O ATOM 1212 OE2 GLU A 78 1.977 -12.105 2.324 1.00 0.00 O ATOM 0 H GLU A 78 -0.499 -8.416 -1.635 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.852 -10.414 0.066 1.00 0.00 H new ATOM 0 HB2 GLU A 78 0.314 -10.626 -1.355 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.087 -9.595 -0.167 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -0.478 -11.762 1.101 1.00 0.00 H new ATOM 0 HG3 GLU A 78 0.761 -12.390 0.033 1.00 0.00 H new ATOM 1219 N ALA A 79 -0.732 -7.666 1.348 1.00 0.00 N ATOM 1220 CA ALA A 79 -0.701 -6.906 2.629 1.00 0.00 C ATOM 1221 C ALA A 79 -2.117 -6.669 3.160 1.00 0.00 C ATOM 1222 O ALA A 79 -2.372 -6.803 4.343 1.00 0.00 O ATOM 1223 CB ALA A 79 -0.023 -5.579 2.273 1.00 0.00 C ATOM 0 H ALA A 79 -0.482 -7.129 0.518 1.00 0.00 H new ATOM 0 HA ALA A 79 -0.171 -7.444 3.414 1.00 0.00 H new ATOM 0 HB1 ALA A 79 0.042 -4.953 3.163 1.00 0.00 H new ATOM 0 HB2 ALA A 79 0.980 -5.773 1.892 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -0.608 -5.065 1.510 1.00 0.00 H new ATOM 1229 N ILE A 80 -3.041 -6.331 2.306 1.00 0.00 N ATOM 1230 CA ILE A 80 -4.444 -6.101 2.774 1.00 0.00 C ATOM 1231 C ILE A 80 -4.998 -7.403 3.356 1.00 0.00 C ATOM 1232 O ILE A 80 -5.597 -7.425 4.411 1.00 0.00 O ATOM 1233 CB ILE A 80 -5.222 -5.669 1.537 1.00 0.00 C ATOM 1234 CG1 ILE A 80 -5.367 -4.146 1.548 1.00 0.00 C ATOM 1235 CG2 ILE A 80 -6.607 -6.313 1.564 1.00 0.00 C ATOM 1236 CD1 ILE A 80 -4.117 -3.506 0.942 1.00 0.00 C ATOM 0 H ILE A 80 -2.890 -6.203 1.305 1.00 0.00 H new ATOM 0 HA ILE A 80 -4.512 -5.344 3.555 1.00 0.00 H new ATOM 0 HB ILE A 80 -4.694 -5.982 0.636 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -6.250 -3.851 0.981 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -5.510 -3.792 2.569 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -7.168 -6.007 0.681 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.504 -7.398 1.570 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -7.139 -5.994 2.460 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -4.223 -2.421 0.951 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -3.243 -3.790 1.527 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -3.994 -3.850 -0.085 1.00 0.00 H new ATOM 1248 N ASN A 81 -4.761 -8.488 2.670 1.00 0.00 N ATOM 1249 CA ASN A 81 -5.201 -9.811 3.161 1.00 0.00 C ATOM 1250 C ASN A 81 -4.325 -10.230 4.324 1.00 0.00 C ATOM 1251 O ASN A 81 -4.756 -10.973 5.177 1.00 0.00 O ATOM 1252 CB ASN A 81 -5.104 -10.798 2.019 1.00 0.00 C ATOM 1253 CG ASN A 81 -3.853 -11.646 2.210 1.00 0.00 C ATOM 1254 OD1 ASN A 81 -2.766 -11.208 1.897 1.00 0.00 O ATOM 1255 ND2 ASN A 81 -3.959 -12.853 2.697 1.00 0.00 N ATOM 0 H ASN A 81 -4.272 -8.506 1.775 1.00 0.00 H new ATOM 0 HA ASN A 81 -6.232 -9.774 3.512 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -5.990 -11.433 1.992 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -5.061 -10.270 1.066 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -3.126 -13.430 2.815 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -4.874 -13.219 2.959 1.00 0.00 H new ATOM 1262 N ASP A 82 -3.098 -9.794 4.408 1.00 0.00 N ATOM 1263 CA ASP A 82 -2.282 -10.246 5.559 1.00 0.00 C ATOM 1264 C ASP A 82 -2.360 -9.193 6.618 1.00 0.00 C ATOM 1265 O ASP A 82 -1.715 -9.226 7.647 1.00 0.00 O ATOM 1266 CB ASP A 82 -0.878 -10.215 4.999 1.00 0.00 C ATOM 1267 CG ASP A 82 0.141 -10.164 6.141 1.00 0.00 C ATOM 1268 OD1 ASP A 82 -0.067 -9.383 7.051 1.00 0.00 O ATOM 1269 OD2 ASP A 82 1.129 -10.887 6.078 1.00 0.00 O ATOM 0 H ASP A 82 -2.640 -9.164 3.750 1.00 0.00 H new ATOM 0 HA ASP A 82 -2.587 -11.209 5.970 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -0.703 -11.098 4.384 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -0.755 -9.347 4.352 1.00 0.00 H new ATOM 1274 N GLU A 83 -3.186 -8.230 6.337 1.00 0.00 N ATOM 1275 CA GLU A 83 -3.404 -7.133 7.281 1.00 0.00 C ATOM 1276 C GLU A 83 -4.655 -7.552 8.042 1.00 0.00 C ATOM 1277 O GLU A 83 -4.612 -7.752 9.228 1.00 0.00 O ATOM 1278 CB GLU A 83 -3.702 -5.867 6.454 1.00 0.00 C ATOM 1279 CG GLU A 83 -4.997 -5.227 6.971 1.00 0.00 C ATOM 1280 CD GLU A 83 -4.932 -5.096 8.494 1.00 0.00 C ATOM 1281 OE1 GLU A 83 -4.000 -5.624 9.081 1.00 0.00 O ATOM 1282 OE2 GLU A 83 -5.830 -4.485 9.055 1.00 0.00 O ATOM 0 H GLU A 83 -3.724 -8.166 5.473 1.00 0.00 H new ATOM 0 HA GLU A 83 -2.562 -6.935 7.944 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -2.875 -5.161 6.534 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -3.803 -6.121 5.399 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -5.136 -4.246 6.517 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -5.855 -5.835 6.684 1.00 0.00 H new ATOM 1289 N MET A 84 -5.747 -7.753 7.346 1.00 0.00 N ATOM 1290 CA MET A 84 -6.977 -8.201 8.041 1.00 0.00 C ATOM 1291 C MET A 84 -6.822 -9.632 8.562 1.00 0.00 C ATOM 1292 O MET A 84 -7.588 -10.082 9.395 1.00 0.00 O ATOM 1293 CB MET A 84 -8.051 -8.161 6.953 1.00 0.00 C ATOM 1294 CG MET A 84 -7.861 -9.358 6.013 1.00 0.00 C ATOM 1295 SD MET A 84 -9.218 -9.409 4.813 1.00 0.00 S ATOM 1296 CE MET A 84 -8.603 -10.791 3.816 1.00 0.00 C ATOM 0 H MET A 84 -5.833 -7.626 6.338 1.00 0.00 H new ATOM 0 HA MET A 84 -7.212 -7.578 8.904 1.00 0.00 H new ATOM 0 HB2 MET A 84 -9.043 -8.191 7.403 1.00 0.00 H new ATOM 0 HB3 MET A 84 -7.983 -7.229 6.392 1.00 0.00 H new ATOM 0 HG2 MET A 84 -6.906 -9.278 5.494 1.00 0.00 H new ATOM 0 HG3 MET A 84 -7.835 -10.284 6.587 1.00 0.00 H new ATOM 0 HE1 MET A 84 -9.358 -11.075 3.082 1.00 0.00 H new ATOM 0 HE2 MET A 84 -7.691 -10.490 3.301 1.00 0.00 H new ATOM 0 HE3 MET A 84 -8.390 -11.641 4.464 1.00 0.00 H new ATOM 1306 N GLU A 85 -5.830 -10.336 8.103 1.00 0.00 N ATOM 1307 CA GLU A 85 -5.628 -11.732 8.580 1.00 0.00 C ATOM 1308 C GLU A 85 -4.180 -12.163 8.339 1.00 0.00 C ATOM 1309 O GLU A 85 -3.302 -11.581 8.952 1.00 0.00 O ATOM 1310 CB GLU A 85 -6.588 -12.596 7.753 1.00 0.00 C ATOM 1311 CG GLU A 85 -6.403 -14.068 8.134 1.00 0.00 C ATOM 1312 CD GLU A 85 -7.727 -14.632 8.656 1.00 0.00 C ATOM 1313 OE1 GLU A 85 -8.727 -13.943 8.547 1.00 0.00 O ATOM 1314 OE2 GLU A 85 -7.717 -15.745 9.158 1.00 0.00 O ATOM 1315 OXT GLU A 85 -3.975 -13.066 7.544 1.00 0.00 O ATOM 0 H GLU A 85 -5.149 -10.007 7.418 1.00 0.00 H new ATOM 0 HA GLU A 85 -5.822 -11.829 9.648 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -7.618 -12.289 7.933 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -6.395 -12.457 6.689 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -6.069 -14.639 7.268 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -5.630 -14.163 8.896 1.00 0.00 H new