USER MOD reduce.3.24.130724 H: found=0, std=0, add=785, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 785 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 41 MET CE :methyl 176:sc= -2.14 (180deg=-2.18) USER MOD Set 1.2: A 43 LYS NZ :NH3+ -103:sc= 0.168 (180deg=-0.141) USER MOD Single : A 1 GLY N :NH3+ -111:sc= 0.441 (180deg=0.0469) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= 0.365 K(o=0.37,f=-1.9!) USER MOD Single : A 10 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00753) USER MOD Single : A 13 LYS NZ :NH3+ -143:sc= -1.37 (180deg=-3.49!) USER MOD Single : A 15 TYR OH : rot -86:sc= 0.00651 USER MOD Single : A 16 LYS NZ :NH3+ -161:sc= -0.0626 (180deg=-0.302) USER MOD Single : A 17 LYS NZ :NH3+ -175:sc= -0.428 (180deg=-0.47) USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 GLN : amide:sc= -0.239 K(o=-0.24,f=-3!) USER MOD Single : A 27 MET CE :methyl -173:sc= 0 (180deg=-0.106) USER MOD Single : A 32 TYR OH : rot 34:sc= 0.089 USER MOD Single : A 33 ASN : amide:sc= 0.0207 K(o=0.021,f=-1.3) USER MOD Single : A 38 LYS NZ :NH3+ 174:sc= -0.0861 (180deg=-0.14) USER MOD Single : A 39 ASN : amide:sc= 0 K(o=0,f=-2.5!) USER MOD Single : A 40 LYS NZ :NH3+ 159:sc= 1.04 (180deg=0.7) USER MOD Single : A 45 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0432) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -171:sc=-0.00567 (180deg=-0.15) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 64 THR OG1 : rot -172:sc= 0.492 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot -118:sc= 1.31 USER MOD Single : A 75 SER OG : rot 62:sc= 1.22 USER MOD Single : A 78 TYR OH : rot 180:sc= -0.987 USER MOD Single : A 79 GLN : amide:sc= -0.634 K(o=-0.63,f=0) USER MOD Single : A 80 LYS NZ :NH3+ 164:sc= 0.336 (180deg=0.233) USER MOD Single : A 84 SER OG : rot -47:sc= 0.38 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 139:sc= 0.404 (180deg=-0.0817) USER MOD Single : A 92 GLN : amide:sc= -0.708 K(o=-0.71,f=-4.2!) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.111 -7.979 6.129 1.00 41.25 N ATOM 2 CA GLY A 1 -12.739 -7.729 6.631 1.00 22.25 C ATOM 3 C GLY A 1 -12.240 -8.853 7.531 1.00 42.44 C ATOM 4 O GLY A 1 -12.232 -8.708 8.756 1.00 32.34 O ATOM 0 H1 GLY A 1 -14.078 -8.164 5.106 1.00 41.25 H new ATOM 0 H2 GLY A 1 -14.514 -8.804 6.617 1.00 41.25 H new ATOM 0 H3 GLY A 1 -14.705 -7.145 6.311 1.00 41.25 H new ATOM 0 HA2 GLY A 1 -12.060 -7.615 5.786 1.00 22.25 H new ATOM 0 HA3 GLY A 1 -12.722 -6.789 7.183 1.00 22.25 H new ATOM 10 N GLY A 2 -11.826 -9.979 6.918 1.00 1.22 N ATOM 11 CA GLY A 2 -11.340 -11.155 7.651 1.00 14.25 C ATOM 12 C GLY A 2 -10.157 -11.809 6.950 1.00 45.25 C ATOM 13 O GLY A 2 -9.004 -11.456 7.223 1.00 15.22 O ATOM 0 H GLY A 2 -11.821 -10.095 5.905 1.00 1.22 H new ATOM 0 HA2 GLY A 2 -11.048 -10.860 8.659 1.00 14.25 H new ATOM 0 HA3 GLY A 2 -12.148 -11.879 7.753 1.00 14.25 H new ATOM 17 N SER A 3 -10.445 -12.761 6.041 1.00 2.42 N ATOM 18 CA SER A 3 -9.431 -13.431 5.202 1.00 20.12 C ATOM 19 C SER A 3 -8.756 -12.389 4.282 1.00 63.04 C ATOM 20 O SER A 3 -9.480 -11.583 3.713 1.00 21.32 O ATOM 21 CB SER A 3 -10.115 -14.527 4.350 1.00 73.44 C ATOM 22 OG SER A 3 -10.814 -15.460 5.157 1.00 4.43 O ATOM 0 H SER A 3 -11.395 -13.089 5.867 1.00 2.42 H new ATOM 0 HA SER A 3 -8.673 -13.891 5.835 1.00 20.12 H new ATOM 0 HB2 SER A 3 -10.808 -14.063 3.648 1.00 73.44 H new ATOM 0 HB3 SER A 3 -9.364 -15.049 3.758 1.00 73.44 H new ATOM 0 HG SER A 3 -11.235 -16.136 4.586 1.00 4.43 H new ATOM 28 N PRO A 4 -7.379 -12.397 4.117 1.00 54.05 N ATOM 29 CA PRO A 4 -6.626 -11.307 3.420 1.00 52.02 C ATOM 30 C PRO A 4 -7.229 -10.872 2.059 1.00 14.31 C ATOM 31 O PRO A 4 -7.322 -9.673 1.781 1.00 24.12 O ATOM 32 CB PRO A 4 -5.182 -11.887 3.264 1.00 55.14 C ATOM 33 CG PRO A 4 -5.294 -13.346 3.614 1.00 72.33 C ATOM 34 CD PRO A 4 -6.446 -13.448 4.592 1.00 20.33 C ATOM 0 HA PRO A 4 -6.662 -10.383 3.998 1.00 52.02 H new ATOM 0 HB2 PRO A 4 -4.814 -11.755 2.247 1.00 55.14 H new ATOM 0 HB3 PRO A 4 -4.481 -11.378 3.925 1.00 55.14 H new ATOM 0 HG2 PRO A 4 -5.481 -13.948 2.725 1.00 72.33 H new ATOM 0 HG3 PRO A 4 -4.369 -13.714 4.059 1.00 72.33 H new ATOM 0 HD2 PRO A 4 -6.906 -14.436 4.572 1.00 20.33 H new ATOM 0 HD3 PRO A 4 -6.123 -13.268 5.617 1.00 20.33 H new ATOM 42 N ASP A 5 -7.680 -11.858 1.258 1.00 43.51 N ATOM 43 CA ASP A 5 -8.311 -11.621 -0.067 1.00 34.43 C ATOM 44 C ASP A 5 -9.587 -10.761 0.063 1.00 64.45 C ATOM 45 O ASP A 5 -9.772 -9.777 -0.663 1.00 64.43 O ATOM 46 CB ASP A 5 -8.654 -12.983 -0.731 1.00 64.32 C ATOM 47 CG ASP A 5 -9.182 -12.850 -2.174 1.00 2.40 C ATOM 48 OD1 ASP A 5 -8.355 -12.785 -3.107 1.00 12.54 O ATOM 49 OD2 ASP A 5 -10.418 -12.796 -2.379 1.00 33.23 O ATOM 0 H ASP A 5 -7.619 -12.845 1.507 1.00 43.51 H new ATOM 0 HA ASP A 5 -7.603 -11.076 -0.691 1.00 34.43 H new ATOM 0 HB2 ASP A 5 -7.763 -13.610 -0.735 1.00 64.32 H new ATOM 0 HB3 ASP A 5 -9.401 -13.495 -0.125 1.00 64.32 H new ATOM 54 N GLU A 6 -10.433 -11.156 1.017 1.00 2.53 N ATOM 55 CA GLU A 6 -11.732 -10.523 1.289 1.00 13.45 C ATOM 56 C GLU A 6 -11.531 -9.192 2.054 1.00 22.41 C ATOM 57 O GLU A 6 -12.278 -8.238 1.845 1.00 34.12 O ATOM 58 CB GLU A 6 -12.596 -11.562 2.079 1.00 11.42 C ATOM 59 CG GLU A 6 -14.061 -11.167 2.411 1.00 10.34 C ATOM 60 CD GLU A 6 -14.216 -10.265 3.661 1.00 22.03 C ATOM 61 OE1 GLU A 6 -13.693 -10.629 4.738 1.00 41.31 O ATOM 62 OE2 GLU A 6 -14.861 -9.193 3.582 1.00 12.33 O ATOM 0 H GLU A 6 -10.233 -11.941 1.637 1.00 2.53 H new ATOM 0 HA GLU A 6 -12.253 -10.258 0.369 1.00 13.45 H new ATOM 0 HB2 GLU A 6 -12.619 -12.488 1.504 1.00 11.42 H new ATOM 0 HB3 GLU A 6 -12.085 -11.781 3.017 1.00 11.42 H new ATOM 0 HG2 GLU A 6 -14.489 -10.651 1.551 1.00 10.34 H new ATOM 0 HG3 GLU A 6 -14.644 -12.076 2.560 1.00 10.34 H new ATOM 69 N ASN A 7 -10.465 -9.134 2.882 1.00 3.33 N ATOM 70 CA ASN A 7 -10.170 -8.004 3.798 1.00 2.42 C ATOM 71 C ASN A 7 -9.774 -6.738 3.010 1.00 52.02 C ATOM 72 O ASN A 7 -9.981 -5.611 3.477 1.00 42.05 O ATOM 73 CB ASN A 7 -9.062 -8.429 4.809 1.00 50.11 C ATOM 74 CG ASN A 7 -8.790 -7.407 5.921 1.00 63.23 C ATOM 75 OD1 ASN A 7 -9.674 -6.651 6.332 1.00 11.53 O ATOM 76 ND2 ASN A 7 -7.576 -7.402 6.450 1.00 23.42 N ATOM 0 H ASN A 7 -9.773 -9.881 2.935 1.00 3.33 H new ATOM 0 HA ASN A 7 -11.070 -7.754 4.359 1.00 2.42 H new ATOM 0 HB2 ASN A 7 -9.348 -9.376 5.266 1.00 50.11 H new ATOM 0 HB3 ASN A 7 -8.136 -8.606 4.261 1.00 50.11 H new ATOM 0 HD21 ASN A 7 -7.355 -6.764 7.214 1.00 23.42 H new ATOM 0 HD22 ASN A 7 -6.862 -8.037 6.093 1.00 23.42 H new ATOM 83 N ILE A 8 -9.223 -6.967 1.805 1.00 45.55 N ATOM 84 CA ILE A 8 -8.896 -5.916 0.821 1.00 33.31 C ATOM 85 C ILE A 8 -10.109 -5.009 0.535 1.00 34.34 C ATOM 86 O ILE A 8 -9.956 -3.802 0.461 1.00 22.41 O ATOM 87 CB ILE A 8 -8.393 -6.568 -0.523 1.00 3.13 C ATOM 88 CG1 ILE A 8 -7.039 -7.297 -0.294 1.00 64.41 C ATOM 89 CG2 ILE A 8 -8.288 -5.545 -1.681 1.00 62.02 C ATOM 90 CD1 ILE A 8 -6.590 -8.174 -1.442 1.00 20.31 C ATOM 0 H ILE A 8 -8.987 -7.905 1.480 1.00 45.55 H new ATOM 0 HA ILE A 8 -8.105 -5.300 1.248 1.00 33.31 H new ATOM 0 HB ILE A 8 -9.142 -7.299 -0.828 1.00 3.13 H new ATOM 0 HG12 ILE A 8 -6.268 -6.551 -0.102 1.00 64.41 H new ATOM 0 HG13 ILE A 8 -7.120 -7.910 0.604 1.00 64.41 H new ATOM 0 HG21 ILE A 8 -7.937 -6.049 -2.581 1.00 62.02 H new ATOM 0 HG22 ILE A 8 -9.268 -5.107 -1.869 1.00 62.02 H new ATOM 0 HG23 ILE A 8 -7.585 -4.758 -1.409 1.00 62.02 H new ATOM 0 HD11 ILE A 8 -5.637 -8.641 -1.192 1.00 20.31 H new ATOM 0 HD12 ILE A 8 -7.337 -8.947 -1.623 1.00 20.31 H new ATOM 0 HD13 ILE A 8 -6.472 -7.567 -2.339 1.00 20.31 H new ATOM 102 N ALA A 9 -11.309 -5.621 0.408 1.00 54.01 N ATOM 103 CA ALA A 9 -12.569 -4.904 0.094 1.00 43.24 C ATOM 104 C ALA A 9 -12.865 -3.758 1.098 1.00 34.43 C ATOM 105 O ALA A 9 -13.380 -2.703 0.711 1.00 74.23 O ATOM 106 CB ALA A 9 -13.737 -5.905 0.037 1.00 52.12 C ATOM 0 H ALA A 9 -11.432 -6.627 0.520 1.00 54.01 H new ATOM 0 HA ALA A 9 -12.450 -4.434 -0.882 1.00 43.24 H new ATOM 0 HB1 ALA A 9 -14.660 -5.374 -0.194 1.00 52.12 H new ATOM 0 HB2 ALA A 9 -13.542 -6.648 -0.737 1.00 52.12 H new ATOM 0 HB3 ALA A 9 -13.836 -6.403 1.001 1.00 52.12 H new ATOM 112 N LYS A 10 -12.511 -3.986 2.380 1.00 53.54 N ATOM 113 CA LYS A 10 -12.596 -2.969 3.449 1.00 62.51 C ATOM 114 C LYS A 10 -11.614 -1.811 3.170 1.00 42.10 C ATOM 115 O LYS A 10 -11.987 -0.635 3.256 1.00 11.54 O ATOM 116 CB LYS A 10 -12.292 -3.630 4.829 1.00 63.13 C ATOM 117 CG LYS A 10 -12.041 -2.642 5.997 1.00 12.21 C ATOM 118 CD LYS A 10 -11.840 -3.355 7.352 1.00 44.31 C ATOM 119 CE LYS A 10 -11.379 -2.394 8.466 1.00 60.04 C ATOM 120 NZ LYS A 10 -12.318 -1.259 8.677 1.00 24.20 N ATOM 0 H LYS A 10 -12.156 -4.886 2.704 1.00 53.54 H new ATOM 0 HA LYS A 10 -13.605 -2.558 3.471 1.00 62.51 H new ATOM 0 HB2 LYS A 10 -13.128 -4.277 5.095 1.00 63.13 H new ATOM 0 HB3 LYS A 10 -11.416 -4.270 4.722 1.00 63.13 H new ATOM 0 HG2 LYS A 10 -11.160 -2.040 5.774 1.00 12.21 H new ATOM 0 HG3 LYS A 10 -12.885 -1.956 6.074 1.00 12.21 H new ATOM 0 HD2 LYS A 10 -12.775 -3.830 7.651 1.00 44.31 H new ATOM 0 HD3 LYS A 10 -11.103 -4.149 7.234 1.00 44.31 H new ATOM 0 HE2 LYS A 10 -11.274 -2.950 9.398 1.00 60.04 H new ATOM 0 HE3 LYS A 10 -10.393 -2.002 8.216 1.00 60.04 H new ATOM 0 HZ1 LYS A 10 -11.984 -0.675 9.470 1.00 24.20 H new ATOM 0 HZ2 LYS A 10 -12.361 -0.679 7.815 1.00 24.20 H new ATOM 0 HZ3 LYS A 10 -13.266 -1.628 8.894 1.00 24.20 H new ATOM 134 N PHE A 11 -10.369 -2.170 2.815 1.00 33.40 N ATOM 135 CA PHE A 11 -9.286 -1.204 2.544 1.00 72.04 C ATOM 136 C PHE A 11 -9.513 -0.435 1.219 1.00 34.21 C ATOM 137 O PHE A 11 -8.974 0.655 1.042 1.00 61.35 O ATOM 138 CB PHE A 11 -7.912 -1.912 2.526 1.00 22.45 C ATOM 139 CG PHE A 11 -7.522 -2.629 3.820 1.00 20.11 C ATOM 140 CD1 PHE A 11 -7.626 -1.985 5.056 1.00 61.23 C ATOM 141 CD2 PHE A 11 -7.040 -3.943 3.802 1.00 23.42 C ATOM 142 CE1 PHE A 11 -7.267 -2.632 6.225 1.00 3.21 C ATOM 143 CE2 PHE A 11 -6.681 -4.584 4.973 1.00 34.42 C ATOM 144 CZ PHE A 11 -6.794 -3.932 6.183 1.00 34.24 C ATOM 0 H PHE A 11 -10.082 -3.143 2.707 1.00 33.40 H new ATOM 0 HA PHE A 11 -9.296 -0.475 3.354 1.00 72.04 H new ATOM 0 HB2 PHE A 11 -7.908 -2.639 1.714 1.00 22.45 H new ATOM 0 HB3 PHE A 11 -7.145 -1.172 2.296 1.00 22.45 H new ATOM 0 HD1 PHE A 11 -7.991 -0.970 5.099 1.00 61.23 H new ATOM 0 HD2 PHE A 11 -6.947 -4.463 2.860 1.00 23.42 H new ATOM 0 HE1 PHE A 11 -7.356 -2.121 7.173 1.00 3.21 H new ATOM 0 HE2 PHE A 11 -6.311 -5.598 4.940 1.00 34.42 H new ATOM 0 HZ PHE A 11 -6.514 -4.435 7.097 1.00 34.24 H new ATOM 154 N GLU A 12 -10.273 -1.038 0.286 1.00 21.24 N ATOM 155 CA GLU A 12 -10.681 -0.389 -0.976 1.00 31.45 C ATOM 156 C GLU A 12 -11.646 0.773 -0.685 1.00 4.45 C ATOM 157 O GLU A 12 -11.580 1.827 -1.322 1.00 41.14 O ATOM 158 CB GLU A 12 -11.374 -1.412 -1.915 1.00 63.12 C ATOM 159 CG GLU A 12 -10.454 -2.517 -2.481 1.00 13.11 C ATOM 160 CD GLU A 12 -9.394 -2.028 -3.495 1.00 52.41 C ATOM 161 OE1 GLU A 12 -9.648 -1.041 -4.219 1.00 2.05 O ATOM 162 OE2 GLU A 12 -8.335 -2.676 -3.624 1.00 72.21 O ATOM 0 H GLU A 12 -10.623 -1.991 0.385 1.00 21.24 H new ATOM 0 HA GLU A 12 -9.787 -0.004 -1.468 1.00 31.45 H new ATOM 0 HB2 GLU A 12 -12.190 -1.886 -1.370 1.00 63.12 H new ATOM 0 HB3 GLU A 12 -11.820 -0.871 -2.749 1.00 63.12 H new ATOM 0 HG2 GLU A 12 -9.943 -3.004 -1.651 1.00 13.11 H new ATOM 0 HG3 GLU A 12 -11.074 -3.274 -2.962 1.00 13.11 H new ATOM 169 N LYS A 13 -12.552 0.545 0.285 1.00 73.33 N ATOM 170 CA LYS A 13 -13.526 1.555 0.732 1.00 63.05 C ATOM 171 C LYS A 13 -12.841 2.603 1.632 1.00 23.22 C ATOM 172 O LYS A 13 -13.219 3.774 1.624 1.00 70.41 O ATOM 173 CB LYS A 13 -14.708 0.882 1.469 1.00 53.32 C ATOM 174 CG LYS A 13 -15.515 -0.103 0.587 1.00 13.45 C ATOM 175 CD LYS A 13 -16.813 -0.636 1.248 1.00 1.04 C ATOM 176 CE LYS A 13 -17.948 0.408 1.353 1.00 54.21 C ATOM 177 NZ LYS A 13 -17.660 1.513 2.308 1.00 72.22 N ATOM 0 H LYS A 13 -12.628 -0.344 0.779 1.00 73.33 H new ATOM 0 HA LYS A 13 -13.922 2.067 -0.145 1.00 63.05 H new ATOM 0 HB2 LYS A 13 -14.325 0.347 2.338 1.00 53.32 H new ATOM 0 HB3 LYS A 13 -15.380 1.656 1.842 1.00 53.32 H new ATOM 0 HG2 LYS A 13 -15.775 0.394 -0.348 1.00 13.45 H new ATOM 0 HG3 LYS A 13 -14.877 -0.949 0.331 1.00 13.45 H new ATOM 0 HD2 LYS A 13 -17.173 -1.491 0.676 1.00 1.04 H new ATOM 0 HD3 LYS A 13 -16.575 -0.999 2.248 1.00 1.04 H new ATOM 0 HE2 LYS A 13 -18.132 0.832 0.366 1.00 54.21 H new ATOM 0 HE3 LYS A 13 -18.865 -0.095 1.660 1.00 54.21 H new ATOM 0 HZ1 LYS A 13 -18.534 1.780 2.803 1.00 72.22 H new ATOM 0 HZ2 LYS A 13 -16.952 1.197 3.001 1.00 72.22 H new ATOM 0 HZ3 LYS A 13 -17.292 2.335 1.787 1.00 72.22 H new ATOM 191 N ALA A 14 -11.826 2.157 2.399 1.00 14.43 N ATOM 192 CA ALA A 14 -10.970 3.050 3.201 1.00 21.23 C ATOM 193 C ALA A 14 -10.147 3.959 2.269 1.00 71.45 C ATOM 194 O ALA A 14 -9.890 5.128 2.583 1.00 63.43 O ATOM 195 CB ALA A 14 -10.048 2.222 4.114 1.00 12.12 C ATOM 0 H ALA A 14 -11.578 1.171 2.479 1.00 14.43 H new ATOM 0 HA ALA A 14 -11.598 3.679 3.832 1.00 21.23 H new ATOM 0 HB1 ALA A 14 -9.420 2.892 4.701 1.00 12.12 H new ATOM 0 HB2 ALA A 14 -10.653 1.611 4.784 1.00 12.12 H new ATOM 0 HB3 ALA A 14 -9.417 1.576 3.504 1.00 12.12 H new ATOM 201 N TYR A 15 -9.762 3.389 1.102 1.00 2.01 N ATOM 202 CA TYR A 15 -9.072 4.117 0.036 1.00 52.44 C ATOM 203 C TYR A 15 -10.002 5.170 -0.562 1.00 13.23 C ATOM 204 O TYR A 15 -9.587 6.294 -0.790 1.00 12.10 O ATOM 205 CB TYR A 15 -8.585 3.160 -1.094 1.00 3.31 C ATOM 206 CG TYR A 15 -7.794 3.878 -2.204 1.00 63.45 C ATOM 207 CD1 TYR A 15 -6.424 4.083 -2.080 1.00 1.13 C ATOM 208 CD2 TYR A 15 -8.419 4.388 -3.353 1.00 24.11 C ATOM 209 CE1 TYR A 15 -5.713 4.756 -3.040 1.00 4.22 C ATOM 210 CE2 TYR A 15 -7.701 5.072 -4.312 1.00 5.34 C ATOM 211 CZ TYR A 15 -6.346 5.250 -4.151 1.00 51.14 C ATOM 212 OH TYR A 15 -5.619 5.949 -5.096 1.00 65.21 O ATOM 0 H TYR A 15 -9.927 2.407 0.883 1.00 2.01 H new ATOM 0 HA TYR A 15 -8.198 4.597 0.478 1.00 52.44 H new ATOM 0 HB2 TYR A 15 -7.959 2.382 -0.657 1.00 3.31 H new ATOM 0 HB3 TYR A 15 -9.448 2.663 -1.536 1.00 3.31 H new ATOM 0 HD1 TYR A 15 -5.909 3.704 -1.209 1.00 1.13 H new ATOM 0 HD2 TYR A 15 -9.481 4.242 -3.488 1.00 24.11 H new ATOM 0 HE1 TYR A 15 -4.649 4.898 -2.920 1.00 4.22 H new ATOM 0 HE2 TYR A 15 -8.200 5.466 -5.185 1.00 5.34 H new ATOM 0 HH TYR A 15 -5.569 6.893 -4.838 1.00 65.21 H new ATOM 222 N LYS A 16 -11.253 4.768 -0.834 1.00 73.53 N ATOM 223 CA LYS A 16 -12.250 5.632 -1.487 1.00 71.31 C ATOM 224 C LYS A 16 -12.797 6.714 -0.549 1.00 63.30 C ATOM 225 O LYS A 16 -13.280 7.740 -1.026 1.00 54.13 O ATOM 226 CB LYS A 16 -13.385 4.797 -2.128 1.00 33.21 C ATOM 227 CG LYS A 16 -12.963 4.097 -3.438 1.00 4.10 C ATOM 228 CD LYS A 16 -14.141 3.401 -4.156 1.00 12.53 C ATOM 229 CE LYS A 16 -13.787 3.007 -5.602 1.00 61.02 C ATOM 230 NZ LYS A 16 -13.521 4.210 -6.447 1.00 10.02 N ATOM 0 H LYS A 16 -11.602 3.837 -0.608 1.00 73.53 H new ATOM 0 HA LYS A 16 -11.733 6.158 -2.290 1.00 71.31 H new ATOM 0 HB2 LYS A 16 -13.721 4.045 -1.414 1.00 33.21 H new ATOM 0 HB3 LYS A 16 -14.236 5.448 -2.330 1.00 33.21 H new ATOM 0 HG2 LYS A 16 -12.518 4.832 -4.109 1.00 4.10 H new ATOM 0 HG3 LYS A 16 -12.192 3.359 -3.217 1.00 4.10 H new ATOM 0 HD2 LYS A 16 -14.429 2.510 -3.598 1.00 12.53 H new ATOM 0 HD3 LYS A 16 -15.005 4.066 -4.163 1.00 12.53 H new ATOM 0 HE2 LYS A 16 -12.909 2.361 -5.600 1.00 61.02 H new ATOM 0 HE3 LYS A 16 -14.605 2.431 -6.034 1.00 61.02 H new ATOM 0 HZ1 LYS A 16 -13.604 3.954 -7.452 1.00 10.02 H new ATOM 0 HZ2 LYS A 16 -14.213 4.953 -6.221 1.00 10.02 H new ATOM 0 HZ3 LYS A 16 -12.561 4.562 -6.258 1.00 10.02 H new ATOM 244 N LYS A 17 -12.737 6.476 0.775 1.00 20.12 N ATOM 245 CA LYS A 17 -13.084 7.508 1.769 1.00 10.41 C ATOM 246 C LYS A 17 -11.930 8.536 1.821 1.00 62.00 C ATOM 247 O LYS A 17 -12.138 9.735 1.986 1.00 15.10 O ATOM 248 CB LYS A 17 -13.380 6.876 3.172 1.00 21.52 C ATOM 249 CG LYS A 17 -14.389 7.675 4.049 1.00 42.21 C ATOM 250 CD LYS A 17 -13.846 9.023 4.582 1.00 12.21 C ATOM 251 CE LYS A 17 -14.938 9.886 5.232 1.00 14.43 C ATOM 252 NZ LYS A 17 -16.054 10.199 4.286 1.00 63.25 N ATOM 0 H LYS A 17 -12.453 5.583 1.179 1.00 20.12 H new ATOM 0 HA LYS A 17 -14.002 8.016 1.474 1.00 10.41 H new ATOM 0 HB2 LYS A 17 -13.766 5.867 3.026 1.00 21.52 H new ATOM 0 HB3 LYS A 17 -12.441 6.782 3.718 1.00 21.52 H new ATOM 0 HG2 LYS A 17 -15.289 7.866 3.464 1.00 42.21 H new ATOM 0 HG3 LYS A 17 -14.685 7.056 4.896 1.00 42.21 H new ATOM 0 HD2 LYS A 17 -13.059 8.830 5.311 1.00 12.21 H new ATOM 0 HD3 LYS A 17 -13.391 9.577 3.761 1.00 12.21 H new ATOM 0 HE2 LYS A 17 -15.338 9.366 6.103 1.00 14.43 H new ATOM 0 HE3 LYS A 17 -14.497 10.816 5.591 1.00 14.43 H new ATOM 0 HZ1 LYS A 17 -16.723 10.852 4.742 1.00 63.25 H new ATOM 0 HZ2 LYS A 17 -15.668 10.643 3.428 1.00 63.25 H new ATOM 0 HZ3 LYS A 17 -16.548 9.321 4.029 1.00 63.25 H new ATOM 266 N ALA A 18 -10.708 8.038 1.647 1.00 12.15 N ATOM 267 CA ALA A 18 -9.510 8.866 1.525 1.00 14.41 C ATOM 268 C ALA A 18 -9.498 9.647 0.176 1.00 32.40 C ATOM 269 O ALA A 18 -9.058 10.800 0.114 1.00 3.12 O ATOM 270 CB ALA A 18 -8.303 7.951 1.622 1.00 32.03 C ATOM 0 H ALA A 18 -10.519 7.037 1.586 1.00 12.15 H new ATOM 0 HA ALA A 18 -9.491 9.609 2.323 1.00 14.41 H new ATOM 0 HB1 ALA A 18 -7.391 8.541 1.534 1.00 32.03 H new ATOM 0 HB2 ALA A 18 -8.312 7.438 2.584 1.00 32.03 H new ATOM 0 HB3 ALA A 18 -8.338 7.216 0.818 1.00 32.03 H new ATOM 276 N GLU A 19 -10.003 8.974 -0.879 1.00 52.01 N ATOM 277 CA GLU A 19 -9.985 9.435 -2.292 1.00 63.32 C ATOM 278 C GLU A 19 -11.057 10.507 -2.553 1.00 23.32 C ATOM 279 O GLU A 19 -10.807 11.465 -3.293 1.00 73.24 O ATOM 280 CB GLU A 19 -10.205 8.209 -3.226 1.00 64.14 C ATOM 281 CG GLU A 19 -10.399 8.524 -4.724 1.00 51.12 C ATOM 282 CD GLU A 19 -10.702 7.273 -5.566 1.00 45.41 C ATOM 283 OE1 GLU A 19 -11.815 6.710 -5.442 1.00 24.33 O ATOM 284 OE2 GLU A 19 -9.838 6.841 -6.354 1.00 53.13 O ATOM 0 H GLU A 19 -10.451 8.064 -0.772 1.00 52.01 H new ATOM 0 HA GLU A 19 -9.017 9.891 -2.498 1.00 63.32 H new ATOM 0 HB2 GLU A 19 -9.349 7.542 -3.124 1.00 64.14 H new ATOM 0 HB3 GLU A 19 -11.080 7.662 -2.874 1.00 64.14 H new ATOM 0 HG2 GLU A 19 -11.215 9.238 -4.837 1.00 51.12 H new ATOM 0 HG3 GLU A 19 -9.499 9.005 -5.108 1.00 51.12 H new ATOM 291 N GLU A 20 -12.254 10.333 -1.948 1.00 53.40 N ATOM 292 CA GLU A 20 -13.366 11.305 -2.080 1.00 61.13 C ATOM 293 C GLU A 20 -12.955 12.668 -1.488 1.00 52.34 C ATOM 294 O GLU A 20 -13.384 13.723 -1.962 1.00 3.21 O ATOM 295 CB GLU A 20 -14.662 10.789 -1.378 1.00 72.12 C ATOM 296 CG GLU A 20 -14.504 10.556 0.134 1.00 53.04 C ATOM 297 CD GLU A 20 -15.812 10.296 0.897 1.00 52.12 C ATOM 298 OE1 GLU A 20 -16.490 11.274 1.266 1.00 4.31 O ATOM 299 OE2 GLU A 20 -16.156 9.122 1.155 1.00 14.34 O ATOM 0 H GLU A 20 -12.476 9.528 -1.363 1.00 53.40 H new ATOM 0 HA GLU A 20 -13.581 11.422 -3.142 1.00 61.13 H new ATOM 0 HB2 GLU A 20 -15.463 11.509 -1.542 1.00 72.12 H new ATOM 0 HB3 GLU A 20 -14.971 9.856 -1.849 1.00 72.12 H new ATOM 0 HG2 GLU A 20 -13.838 9.707 0.287 1.00 53.04 H new ATOM 0 HG3 GLU A 20 -14.015 11.427 0.570 1.00 53.04 H new ATOM 306 N LEU A 21 -12.118 12.610 -0.438 1.00 31.01 N ATOM 307 CA LEU A 21 -11.586 13.793 0.250 1.00 74.02 C ATOM 308 C LEU A 21 -10.252 14.242 -0.388 1.00 72.41 C ATOM 309 O LEU A 21 -9.818 15.381 -0.177 1.00 14.12 O ATOM 310 CB LEU A 21 -11.357 13.435 1.739 1.00 73.15 C ATOM 311 CG LEU A 21 -12.584 12.874 2.516 1.00 53.22 C ATOM 312 CD1 LEU A 21 -12.188 12.402 3.930 1.00 63.42 C ATOM 313 CD2 LEU A 21 -13.729 13.898 2.560 1.00 13.34 C ATOM 0 H LEU A 21 -11.790 11.730 -0.041 1.00 31.01 H new ATOM 0 HA LEU A 21 -12.299 14.613 0.162 1.00 74.02 H new ATOM 0 HB2 LEU A 21 -10.554 12.700 1.793 1.00 73.15 H new ATOM 0 HB3 LEU A 21 -11.006 14.329 2.255 1.00 73.15 H new ATOM 0 HG LEU A 21 -12.947 12.000 1.975 1.00 53.22 H new ATOM 0 HD11 LEU A 21 -13.068 12.016 4.445 1.00 63.42 H new ATOM 0 HD12 LEU A 21 -11.438 11.615 3.854 1.00 63.42 H new ATOM 0 HD13 LEU A 21 -11.778 13.241 4.492 1.00 63.42 H new ATOM 0 HD21 LEU A 21 -14.572 13.478 3.109 1.00 13.34 H new ATOM 0 HD22 LEU A 21 -13.387 14.805 3.058 1.00 13.34 H new ATOM 0 HD23 LEU A 21 -14.041 14.138 1.544 1.00 13.34 H new ATOM 325 N ASN A 22 -9.624 13.319 -1.161 1.00 3.54 N ATOM 326 CA ASN A 22 -8.336 13.543 -1.865 1.00 21.55 C ATOM 327 C ASN A 22 -7.189 13.882 -0.893 1.00 23.13 C ATOM 328 O ASN A 22 -6.217 14.536 -1.288 1.00 70.14 O ATOM 329 CB ASN A 22 -8.486 14.643 -2.955 1.00 11.04 C ATOM 330 CG ASN A 22 -9.466 14.252 -4.056 1.00 5.42 C ATOM 331 OD1 ASN A 22 -10.666 14.484 -3.932 1.00 54.21 O ATOM 332 ND2 ASN A 22 -8.973 13.644 -5.129 1.00 32.41 N ATOM 0 H ASN A 22 -10.004 12.385 -1.314 1.00 3.54 H new ATOM 0 HA ASN A 22 -8.071 12.605 -2.353 1.00 21.55 H new ATOM 0 HB2 ASN A 22 -8.822 15.568 -2.487 1.00 11.04 H new ATOM 0 HB3 ASN A 22 -7.511 14.845 -3.398 1.00 11.04 H new ATOM 0 HD21 ASN A 22 -9.596 13.354 -5.883 1.00 32.41 H new ATOM 0 HD22 ASN A 22 -7.971 13.467 -5.200 1.00 32.41 H new ATOM 339 N GLN A 23 -7.301 13.381 0.362 1.00 74.31 N ATOM 340 CA GLN A 23 -6.381 13.728 1.473 1.00 4.24 C ATOM 341 C GLN A 23 -4.920 13.410 1.117 1.00 44.32 C ATOM 342 O GLN A 23 -4.120 14.314 0.834 1.00 11.42 O ATOM 343 CB GLN A 23 -6.779 12.979 2.783 1.00 13.30 C ATOM 344 CG GLN A 23 -8.212 13.244 3.286 1.00 13.11 C ATOM 345 CD GLN A 23 -8.455 14.634 3.895 1.00 15.54 C ATOM 346 OE1 GLN A 23 -7.814 15.626 3.540 1.00 55.20 O ATOM 347 NE2 GLN A 23 -9.421 14.718 4.800 1.00 1.10 N ATOM 0 H GLN A 23 -8.033 12.724 0.632 1.00 74.31 H new ATOM 0 HA GLN A 23 -6.469 14.802 1.638 1.00 4.24 H new ATOM 0 HB2 GLN A 23 -6.662 11.908 2.619 1.00 13.30 H new ATOM 0 HB3 GLN A 23 -6.078 13.260 3.569 1.00 13.30 H new ATOM 0 HG2 GLN A 23 -8.902 13.106 2.453 1.00 13.11 H new ATOM 0 HG3 GLN A 23 -8.461 12.491 4.034 1.00 13.11 H new ATOM 0 HE21 GLN A 23 -9.936 13.882 5.076 1.00 1.10 H new ATOM 0 HE22 GLN A 23 -9.649 15.619 5.220 1.00 1.10 H new ATOM 356 N GLY A 24 -4.605 12.112 1.096 1.00 22.03 N ATOM 357 CA GLY A 24 -3.258 11.638 0.815 1.00 12.13 C ATOM 358 C GLY A 24 -2.937 10.380 1.598 1.00 61.24 C ATOM 359 O GLY A 24 -3.264 9.286 1.146 1.00 63.01 O ATOM 0 H GLY A 24 -5.278 11.367 1.273 1.00 22.03 H new ATOM 0 HA2 GLY A 24 -3.156 11.440 -0.252 1.00 12.13 H new ATOM 0 HA3 GLY A 24 -2.538 12.417 1.065 1.00 12.13 H new ATOM 363 N GLU A 25 -2.342 10.550 2.798 1.00 64.24 N ATOM 364 CA GLU A 25 -1.694 9.460 3.565 1.00 14.53 C ATOM 365 C GLU A 25 -2.632 8.287 3.838 1.00 31.11 C ATOM 366 O GLU A 25 -2.187 7.155 3.915 1.00 54.22 O ATOM 367 CB GLU A 25 -1.103 9.989 4.898 1.00 32.14 C ATOM 368 CG GLU A 25 -2.131 10.571 5.889 1.00 4.32 C ATOM 369 CD GLU A 25 -1.568 10.697 7.310 1.00 53.04 C ATOM 370 OE1 GLU A 25 -0.927 11.722 7.623 1.00 44.33 O ATOM 371 OE2 GLU A 25 -1.743 9.754 8.112 1.00 53.32 O ATOM 0 H GLU A 25 -2.297 11.455 3.267 1.00 64.24 H new ATOM 0 HA GLU A 25 -0.885 9.088 2.937 1.00 14.53 H new ATOM 0 HB2 GLU A 25 -0.570 9.174 5.389 1.00 32.14 H new ATOM 0 HB3 GLU A 25 -0.367 10.759 4.670 1.00 32.14 H new ATOM 0 HG2 GLU A 25 -2.452 11.552 5.540 1.00 4.32 H new ATOM 0 HG3 GLU A 25 -3.015 9.934 5.907 1.00 4.32 H new ATOM 378 N LEU A 26 -3.926 8.592 3.972 1.00 12.00 N ATOM 379 CA LEU A 26 -4.986 7.597 4.138 1.00 61.34 C ATOM 380 C LEU A 26 -5.032 6.638 2.924 1.00 4.44 C ATOM 381 O LEU A 26 -5.120 5.425 3.098 1.00 23.54 O ATOM 382 CB LEU A 26 -6.336 8.322 4.303 1.00 1.25 C ATOM 383 CG LEU A 26 -6.513 9.216 5.562 1.00 0.30 C ATOM 384 CD1 LEU A 26 -7.712 10.165 5.385 1.00 40.05 C ATOM 385 CD2 LEU A 26 -6.687 8.350 6.825 1.00 2.52 C ATOM 0 H LEU A 26 -4.270 9.552 3.968 1.00 12.00 H new ATOM 0 HA LEU A 26 -4.782 7.000 5.027 1.00 61.34 H new ATOM 0 HB2 LEU A 26 -6.495 8.944 3.422 1.00 1.25 H new ATOM 0 HB3 LEU A 26 -7.125 7.570 4.309 1.00 1.25 H new ATOM 0 HG LEU A 26 -5.613 9.818 5.684 1.00 0.30 H new ATOM 0 HD11 LEU A 26 -7.821 10.783 6.276 1.00 40.05 H new ATOM 0 HD12 LEU A 26 -7.545 10.804 4.518 1.00 40.05 H new ATOM 0 HD13 LEU A 26 -8.620 9.580 5.236 1.00 40.05 H new ATOM 0 HD21 LEU A 26 -6.809 8.996 7.695 1.00 2.52 H new ATOM 0 HD22 LEU A 26 -7.569 7.719 6.715 1.00 2.52 H new ATOM 0 HD23 LEU A 26 -5.806 7.722 6.960 1.00 2.52 H new ATOM 397 N MET A 27 -4.979 7.210 1.695 1.00 64.32 N ATOM 398 CA MET A 27 -4.880 6.418 0.446 1.00 74.42 C ATOM 399 C MET A 27 -3.603 5.567 0.461 1.00 75.23 C ATOM 400 O MET A 27 -3.644 4.390 0.127 1.00 64.21 O ATOM 401 CB MET A 27 -4.898 7.320 -0.833 1.00 15.43 C ATOM 402 CG MET A 27 -6.238 8.023 -1.125 1.00 75.25 C ATOM 403 SD MET A 27 -6.412 8.594 -2.834 1.00 52.20 S ATOM 404 CE MET A 27 -4.926 9.558 -3.054 1.00 22.12 C ATOM 0 H MET A 27 -5.003 8.218 1.544 1.00 64.32 H new ATOM 0 HA MET A 27 -5.757 5.771 0.405 1.00 74.42 H new ATOM 0 HB2 MET A 27 -4.123 8.079 -0.733 1.00 15.43 H new ATOM 0 HB3 MET A 27 -4.634 6.706 -1.694 1.00 15.43 H new ATOM 0 HG2 MET A 27 -7.054 7.337 -0.897 1.00 75.25 H new ATOM 0 HG3 MET A 27 -6.343 8.876 -0.455 1.00 75.25 H new ATOM 0 HE1 MET A 27 -4.963 10.069 -4.016 1.00 22.12 H new ATOM 0 HE2 MET A 27 -4.849 10.295 -2.254 1.00 22.12 H new ATOM 0 HE3 MET A 27 -4.058 8.900 -3.026 1.00 22.12 H new ATOM 414 N GLY A 28 -2.482 6.185 0.887 1.00 54.02 N ATOM 415 CA GLY A 28 -1.194 5.496 1.009 1.00 32.41 C ATOM 416 C GLY A 28 -1.237 4.320 1.990 1.00 51.54 C ATOM 417 O GLY A 28 -0.629 3.282 1.742 1.00 71.31 O ATOM 0 H GLY A 28 -2.450 7.169 1.153 1.00 54.02 H new ATOM 0 HA2 GLY A 28 -0.888 5.133 0.028 1.00 32.41 H new ATOM 0 HA3 GLY A 28 -0.436 6.208 1.336 1.00 32.41 H new ATOM 421 N ARG A 29 -1.986 4.498 3.099 1.00 24.33 N ATOM 422 CA ARG A 29 -2.168 3.464 4.144 1.00 71.22 C ATOM 423 C ARG A 29 -3.004 2.303 3.593 1.00 31.14 C ATOM 424 O ARG A 29 -2.693 1.144 3.834 1.00 75.22 O ATOM 425 CB ARG A 29 -2.878 4.052 5.401 1.00 0.11 C ATOM 426 CG ARG A 29 -2.056 5.067 6.223 1.00 53.04 C ATOM 427 CD ARG A 29 -2.872 5.662 7.386 1.00 33.33 C ATOM 428 NE ARG A 29 -2.118 6.676 8.144 1.00 75.21 N ATOM 429 CZ ARG A 29 -1.726 6.567 9.425 1.00 0.53 C ATOM 430 NH1 ARG A 29 -2.002 5.480 10.147 1.00 23.01 N ATOM 431 NH2 ARG A 29 -1.097 7.575 9.997 1.00 42.13 N ATOM 0 H ARG A 29 -2.484 5.366 3.297 1.00 24.33 H new ATOM 0 HA ARG A 29 -1.180 3.106 4.435 1.00 71.22 H new ATOM 0 HB2 ARG A 29 -3.801 4.535 5.081 1.00 0.11 H new ATOM 0 HB3 ARG A 29 -3.160 3.227 6.055 1.00 0.11 H new ATOM 0 HG2 ARG A 29 -1.166 4.578 6.618 1.00 53.04 H new ATOM 0 HG3 ARG A 29 -1.715 5.871 5.571 1.00 53.04 H new ATOM 0 HD2 ARG A 29 -3.784 6.111 6.993 1.00 33.33 H new ATOM 0 HD3 ARG A 29 -3.176 4.861 8.060 1.00 33.33 H new ATOM 0 HE ARG A 29 -1.872 7.536 7.654 1.00 75.21 H new ATOM 0 HH11 ARG A 29 -2.521 4.708 9.729 1.00 23.01 H new ATOM 0 HH12 ARG A 29 -1.694 5.421 11.117 1.00 23.01 H new ATOM 0 HH21 ARG A 29 -0.912 8.427 9.468 1.00 42.13 H new ATOM 0 HH22 ARG A 29 -0.795 7.503 10.969 1.00 42.13 H new ATOM 445 N ALA A 30 -4.069 2.663 2.856 1.00 0.20 N ATOM 446 CA ALA A 30 -5.013 1.705 2.266 1.00 63.51 C ATOM 447 C ALA A 30 -4.287 0.788 1.275 1.00 34.53 C ATOM 448 O ALA A 30 -4.359 -0.427 1.400 1.00 64.22 O ATOM 449 CB ALA A 30 -6.159 2.456 1.584 1.00 31.25 C ATOM 0 H ALA A 30 -4.298 3.636 2.653 1.00 0.20 H new ATOM 0 HA ALA A 30 -5.433 1.082 3.055 1.00 63.51 H new ATOM 0 HB1 ALA A 30 -6.855 1.739 1.149 1.00 31.25 H new ATOM 0 HB2 ALA A 30 -6.681 3.069 2.319 1.00 31.25 H new ATOM 0 HB3 ALA A 30 -5.758 3.096 0.798 1.00 31.25 H new ATOM 455 N LEU A 31 -3.550 1.419 0.337 1.00 64.43 N ATOM 456 CA LEU A 31 -2.711 0.732 -0.661 1.00 12.35 C ATOM 457 C LEU A 31 -1.703 -0.204 0.025 1.00 51.52 C ATOM 458 O LEU A 31 -1.600 -1.371 -0.336 1.00 40.10 O ATOM 459 CB LEU A 31 -1.958 1.782 -1.521 1.00 54.41 C ATOM 460 CG LEU A 31 -2.849 2.676 -2.431 1.00 24.51 C ATOM 461 CD1 LEU A 31 -2.099 3.942 -2.897 1.00 32.54 C ATOM 462 CD2 LEU A 31 -3.398 1.874 -3.632 1.00 62.23 C ATOM 0 H LEU A 31 -3.522 2.435 0.252 1.00 64.43 H new ATOM 0 HA LEU A 31 -3.355 0.131 -1.303 1.00 12.35 H new ATOM 0 HB2 LEU A 31 -1.388 2.429 -0.854 1.00 54.41 H new ATOM 0 HB3 LEU A 31 -1.238 1.259 -2.150 1.00 54.41 H new ATOM 0 HG LEU A 31 -3.699 3.006 -1.834 1.00 24.51 H new ATOM 0 HD11 LEU A 31 -2.754 4.541 -3.530 1.00 32.54 H new ATOM 0 HD12 LEU A 31 -1.800 4.528 -2.028 1.00 32.54 H new ATOM 0 HD13 LEU A 31 -1.213 3.653 -3.462 1.00 32.54 H new ATOM 0 HD21 LEU A 31 -4.017 2.524 -4.251 1.00 62.23 H new ATOM 0 HD22 LEU A 31 -2.567 1.492 -4.225 1.00 62.23 H new ATOM 0 HD23 LEU A 31 -3.998 1.040 -3.269 1.00 62.23 H new ATOM 474 N TYR A 32 -1.005 0.329 1.046 1.00 73.12 N ATOM 475 CA TYR A 32 0.036 -0.403 1.791 1.00 54.34 C ATOM 476 C TYR A 32 -0.543 -1.680 2.443 1.00 11.44 C ATOM 477 O TYR A 32 0.039 -2.754 2.326 1.00 42.41 O ATOM 478 CB TYR A 32 0.671 0.524 2.863 1.00 20.45 C ATOM 479 CG TYR A 32 1.866 -0.092 3.611 1.00 5.44 C ATOM 480 CD1 TYR A 32 3.093 -0.248 2.971 1.00 4.34 C ATOM 481 CD2 TYR A 32 1.769 -0.525 4.936 1.00 23.25 C ATOM 482 CE1 TYR A 32 4.171 -0.805 3.621 1.00 54.22 C ATOM 483 CE2 TYR A 32 2.854 -1.081 5.586 1.00 10.35 C ATOM 484 CZ TYR A 32 4.051 -1.219 4.922 1.00 31.43 C ATOM 485 OH TYR A 32 5.140 -1.768 5.564 1.00 70.14 O ATOM 0 H TYR A 32 -1.148 1.283 1.378 1.00 73.12 H new ATOM 0 HA TYR A 32 0.812 -0.712 1.090 1.00 54.34 H new ATOM 0 HB2 TYR A 32 0.996 1.446 2.381 1.00 20.45 H new ATOM 0 HB3 TYR A 32 -0.095 0.797 3.589 1.00 20.45 H new ATOM 0 HD1 TYR A 32 3.201 0.074 1.946 1.00 4.34 H new ATOM 0 HD2 TYR A 32 0.830 -0.423 5.461 1.00 23.25 H new ATOM 0 HE1 TYR A 32 5.113 -0.916 3.105 1.00 54.22 H new ATOM 0 HE2 TYR A 32 2.763 -1.406 6.612 1.00 10.35 H new ATOM 0 HH TYR A 32 5.960 -1.338 5.243 1.00 70.14 H new ATOM 495 N ASN A 33 -1.716 -1.534 3.087 1.00 51.01 N ATOM 496 CA ASN A 33 -2.403 -2.637 3.797 1.00 72.42 C ATOM 497 C ASN A 33 -2.903 -3.708 2.815 1.00 33.34 C ATOM 498 O ASN A 33 -2.781 -4.896 3.094 1.00 34.45 O ATOM 499 CB ASN A 33 -3.574 -2.088 4.661 1.00 52.50 C ATOM 500 CG ASN A 33 -3.113 -1.301 5.896 1.00 32.23 C ATOM 501 OD1 ASN A 33 -2.037 -0.700 5.918 1.00 13.22 O ATOM 502 ND2 ASN A 33 -3.932 -1.297 6.938 1.00 4.12 N ATOM 0 H ASN A 33 -2.218 -0.647 3.132 1.00 51.01 H new ATOM 0 HA ASN A 33 -1.679 -3.110 4.461 1.00 72.42 H new ATOM 0 HB2 ASN A 33 -4.199 -1.444 4.043 1.00 52.50 H new ATOM 0 HB3 ASN A 33 -4.197 -2.922 4.984 1.00 52.50 H new ATOM 0 HD21 ASN A 33 -3.678 -0.788 7.785 1.00 4.12 H new ATOM 0 HD22 ASN A 33 -4.817 -1.803 6.893 1.00 4.12 H new ATOM 509 N ILE A 34 -3.445 -3.269 1.657 1.00 12.32 N ATOM 510 CA ILE A 34 -3.878 -4.179 0.572 1.00 31.14 C ATOM 511 C ILE A 34 -2.671 -4.968 0.043 1.00 60.20 C ATOM 512 O ILE A 34 -2.765 -6.172 -0.204 1.00 4.35 O ATOM 513 CB ILE A 34 -4.554 -3.393 -0.619 1.00 2.14 C ATOM 514 CG1 ILE A 34 -5.837 -2.651 -0.146 1.00 52.11 C ATOM 515 CG2 ILE A 34 -4.881 -4.330 -1.807 1.00 12.25 C ATOM 516 CD1 ILE A 34 -6.376 -1.610 -1.117 1.00 44.20 C ATOM 0 H ILE A 34 -3.594 -2.282 1.449 1.00 12.32 H new ATOM 0 HA ILE A 34 -4.619 -4.861 0.989 1.00 31.14 H new ATOM 0 HB ILE A 34 -3.834 -2.651 -0.964 1.00 2.14 H new ATOM 0 HG12 ILE A 34 -6.617 -3.389 0.041 1.00 52.11 H new ATOM 0 HG13 ILE A 34 -5.626 -2.163 0.805 1.00 52.11 H new ATOM 0 HG21 ILE A 34 -5.345 -3.754 -2.608 1.00 12.25 H new ATOM 0 HG22 ILE A 34 -3.962 -4.786 -2.174 1.00 12.25 H new ATOM 0 HG23 ILE A 34 -5.567 -5.110 -1.477 1.00 12.25 H new ATOM 0 HD11 ILE A 34 -7.270 -1.149 -0.697 1.00 44.20 H new ATOM 0 HD12 ILE A 34 -5.619 -0.844 -1.287 1.00 44.20 H new ATOM 0 HD13 ILE A 34 -6.625 -2.090 -2.063 1.00 44.20 H new ATOM 528 N GLY A 35 -1.541 -4.254 -0.108 1.00 53.14 N ATOM 529 CA GLY A 35 -0.289 -4.840 -0.562 1.00 72.14 C ATOM 530 C GLY A 35 0.210 -5.916 0.391 1.00 62.20 C ATOM 531 O GLY A 35 0.744 -6.941 -0.044 1.00 24.21 O ATOM 0 H GLY A 35 -1.481 -3.254 0.084 1.00 53.14 H new ATOM 0 HA2 GLY A 35 -0.427 -5.269 -1.554 1.00 72.14 H new ATOM 0 HA3 GLY A 35 0.465 -4.059 -0.655 1.00 72.14 H new ATOM 535 N LEU A 36 0.024 -5.673 1.702 1.00 21.44 N ATOM 536 CA LEU A 36 0.341 -6.649 2.750 1.00 3.13 C ATOM 537 C LEU A 36 -0.520 -7.909 2.562 1.00 64.14 C ATOM 538 O LEU A 36 0.015 -9.012 2.583 1.00 52.41 O ATOM 539 CB LEU A 36 0.149 -6.036 4.170 1.00 70.22 C ATOM 540 CG LEU A 36 1.110 -4.855 4.538 1.00 74.52 C ATOM 541 CD1 LEU A 36 0.759 -4.249 5.911 1.00 71.13 C ATOM 542 CD2 LEU A 36 2.591 -5.290 4.479 1.00 0.21 C ATOM 0 H LEU A 36 -0.350 -4.794 2.060 1.00 21.44 H new ATOM 0 HA LEU A 36 1.391 -6.928 2.663 1.00 3.13 H new ATOM 0 HB2 LEU A 36 -0.879 -5.684 4.257 1.00 70.22 H new ATOM 0 HB3 LEU A 36 0.278 -6.828 4.908 1.00 70.22 H new ATOM 0 HG LEU A 36 0.967 -4.076 3.789 1.00 74.52 H new ATOM 0 HD11 LEU A 36 1.446 -3.432 6.135 1.00 71.13 H new ATOM 0 HD12 LEU A 36 -0.262 -3.869 5.891 1.00 71.13 H new ATOM 0 HD13 LEU A 36 0.845 -5.016 6.680 1.00 71.13 H new ATOM 0 HD21 LEU A 36 3.229 -4.446 4.740 1.00 0.21 H new ATOM 0 HD22 LEU A 36 2.760 -6.104 5.184 1.00 0.21 H new ATOM 0 HD23 LEU A 36 2.831 -5.628 3.471 1.00 0.21 H new ATOM 554 N GLU A 37 -1.840 -7.715 2.316 1.00 64.53 N ATOM 555 CA GLU A 37 -2.796 -8.829 2.103 1.00 10.31 C ATOM 556 C GLU A 37 -2.370 -9.697 0.899 1.00 74.34 C ATOM 557 O GLU A 37 -2.445 -10.930 0.953 1.00 53.13 O ATOM 558 CB GLU A 37 -4.248 -8.313 1.873 1.00 72.31 C ATOM 559 CG GLU A 37 -4.794 -7.313 2.917 1.00 65.34 C ATOM 560 CD GLU A 37 -4.559 -7.724 4.383 1.00 52.22 C ATOM 561 OE1 GLU A 37 -5.278 -8.609 4.894 1.00 4.44 O ATOM 562 OE2 GLU A 37 -3.643 -7.168 5.027 1.00 72.01 O ATOM 0 H GLU A 37 -2.268 -6.791 2.260 1.00 64.53 H new ATOM 0 HA GLU A 37 -2.783 -9.432 3.011 1.00 10.31 H new ATOM 0 HB2 GLU A 37 -4.291 -7.841 0.892 1.00 72.31 H new ATOM 0 HB3 GLU A 37 -4.916 -9.174 1.842 1.00 72.31 H new ATOM 0 HG2 GLU A 37 -4.330 -6.341 2.747 1.00 65.34 H new ATOM 0 HG3 GLU A 37 -5.865 -7.188 2.756 1.00 65.34 H new ATOM 569 N LYS A 38 -1.910 -9.022 -0.184 1.00 4.23 N ATOM 570 CA LYS A 38 -1.418 -9.692 -1.405 1.00 24.45 C ATOM 571 C LYS A 38 -0.179 -10.550 -1.077 1.00 51.12 C ATOM 572 O LYS A 38 -0.120 -11.720 -1.431 1.00 63.34 O ATOM 573 CB LYS A 38 -1.043 -8.654 -2.500 1.00 31.11 C ATOM 574 CG LYS A 38 -2.153 -7.683 -2.945 1.00 42.53 C ATOM 575 CD LYS A 38 -3.344 -8.360 -3.665 1.00 34.14 C ATOM 576 CE LYS A 38 -4.386 -7.322 -4.120 1.00 31.12 C ATOM 577 NZ LYS A 38 -5.568 -7.937 -4.770 1.00 2.34 N ATOM 0 H LYS A 38 -1.871 -8.004 -0.232 1.00 4.23 H new ATOM 0 HA LYS A 38 -2.219 -10.328 -1.782 1.00 24.45 H new ATOM 0 HB2 LYS A 38 -0.202 -8.064 -2.136 1.00 31.11 H new ATOM 0 HB3 LYS A 38 -0.695 -9.197 -3.378 1.00 31.11 H new ATOM 0 HG2 LYS A 38 -2.527 -7.153 -2.069 1.00 42.53 H new ATOM 0 HG3 LYS A 38 -1.720 -6.935 -3.609 1.00 42.53 H new ATOM 0 HD2 LYS A 38 -2.981 -8.916 -4.529 1.00 34.14 H new ATOM 0 HD3 LYS A 38 -3.814 -9.081 -2.996 1.00 34.14 H new ATOM 0 HE2 LYS A 38 -4.713 -6.741 -3.258 1.00 31.12 H new ATOM 0 HE3 LYS A 38 -3.917 -6.625 -4.815 1.00 31.12 H new ATOM 0 HZ1 LYS A 38 -6.279 -7.203 -4.963 1.00 2.34 H new ATOM 0 HZ2 LYS A 38 -5.280 -8.383 -5.664 1.00 2.34 H new ATOM 0 HZ3 LYS A 38 -5.976 -8.657 -4.139 1.00 2.34 H new ATOM 591 N ASN A 39 0.779 -9.935 -0.359 1.00 34.01 N ATOM 592 CA ASN A 39 2.073 -10.555 0.015 1.00 63.03 C ATOM 593 C ASN A 39 1.857 -11.817 0.896 1.00 1.14 C ATOM 594 O ASN A 39 2.603 -12.800 0.784 1.00 13.44 O ATOM 595 CB ASN A 39 2.951 -9.491 0.746 1.00 64.23 C ATOM 596 CG ASN A 39 4.388 -9.934 1.066 1.00 41.40 C ATOM 597 OD1 ASN A 39 4.984 -10.753 0.362 1.00 64.35 O ATOM 598 ND2 ASN A 39 4.970 -9.363 2.116 1.00 33.24 N ATOM 0 H ASN A 39 0.679 -8.980 -0.015 1.00 34.01 H new ATOM 0 HA ASN A 39 2.590 -10.886 -0.886 1.00 63.03 H new ATOM 0 HB2 ASN A 39 2.994 -8.593 0.129 1.00 64.23 H new ATOM 0 HB3 ASN A 39 2.457 -9.214 1.678 1.00 64.23 H new ATOM 0 HD21 ASN A 39 5.933 -9.599 2.356 1.00 33.24 H new ATOM 0 HD22 ASN A 39 4.454 -8.689 2.681 1.00 33.24 H new ATOM 605 N LYS A 40 0.797 -11.780 1.733 1.00 32.23 N ATOM 606 CA LYS A 40 0.369 -12.926 2.580 1.00 43.41 C ATOM 607 C LYS A 40 -0.162 -14.083 1.704 1.00 34.42 C ATOM 608 O LYS A 40 0.105 -15.262 1.968 1.00 13.00 O ATOM 609 CB LYS A 40 -0.738 -12.467 3.574 1.00 33.20 C ATOM 610 CG LYS A 40 -0.293 -11.355 4.551 1.00 22.20 C ATOM 611 CD LYS A 40 -1.479 -10.704 5.316 1.00 10.14 C ATOM 612 CE LYS A 40 -1.045 -9.472 6.128 1.00 31.51 C ATOM 613 NZ LYS A 40 -2.183 -8.841 6.848 1.00 24.14 N ATOM 0 H LYS A 40 0.209 -10.954 1.844 1.00 32.23 H new ATOM 0 HA LYS A 40 1.233 -13.282 3.141 1.00 43.41 H new ATOM 0 HB2 LYS A 40 -1.597 -12.112 3.005 1.00 33.20 H new ATOM 0 HB3 LYS A 40 -1.072 -13.329 4.151 1.00 33.20 H new ATOM 0 HG2 LYS A 40 0.410 -11.773 5.271 1.00 22.20 H new ATOM 0 HG3 LYS A 40 0.240 -10.584 3.995 1.00 22.20 H new ATOM 0 HD2 LYS A 40 -2.252 -10.413 4.604 1.00 10.14 H new ATOM 0 HD3 LYS A 40 -1.924 -11.440 5.986 1.00 10.14 H new ATOM 0 HE2 LYS A 40 -0.280 -9.765 6.847 1.00 31.51 H new ATOM 0 HE3 LYS A 40 -0.591 -8.741 5.460 1.00 31.51 H new ATOM 0 HZ1 LYS A 40 -1.820 -8.266 7.635 1.00 24.14 H new ATOM 0 HZ2 LYS A 40 -2.715 -8.234 6.192 1.00 24.14 H new ATOM 0 HZ3 LYS A 40 -2.811 -9.581 7.221 1.00 24.14 H new ATOM 627 N MET A 41 -0.906 -13.712 0.646 1.00 53.01 N ATOM 628 CA MET A 41 -1.509 -14.666 -0.308 1.00 64.22 C ATOM 629 C MET A 41 -0.489 -15.180 -1.344 1.00 5.34 C ATOM 630 O MET A 41 -0.803 -16.084 -2.132 1.00 0.43 O ATOM 631 CB MET A 41 -2.718 -14.009 -1.024 1.00 61.33 C ATOM 632 CG MET A 41 -3.934 -13.751 -0.126 1.00 21.31 C ATOM 633 SD MET A 41 -5.332 -13.057 -1.034 1.00 60.33 S ATOM 634 CE MET A 41 -4.773 -11.388 -1.378 1.00 73.10 C ATOM 0 H MET A 41 -1.108 -12.737 0.426 1.00 53.01 H new ATOM 0 HA MET A 41 -1.849 -15.529 0.264 1.00 64.22 H new ATOM 0 HB2 MET A 41 -2.396 -13.062 -1.456 1.00 61.33 H new ATOM 0 HB3 MET A 41 -3.024 -14.649 -1.851 1.00 61.33 H new ATOM 0 HG2 MET A 41 -4.239 -14.686 0.344 1.00 21.31 H new ATOM 0 HG3 MET A 41 -3.651 -13.069 0.675 1.00 21.31 H new ATOM 0 HE1 MET A 41 -5.512 -10.876 -1.994 1.00 73.10 H new ATOM 0 HE2 MET A 41 -4.645 -10.847 -0.441 1.00 73.10 H new ATOM 0 HE3 MET A 41 -3.822 -11.425 -1.909 1.00 73.10 H new ATOM 644 N GLY A 42 0.732 -14.617 -1.332 1.00 15.24 N ATOM 645 CA GLY A 42 1.770 -14.967 -2.307 1.00 2.24 C ATOM 646 C GLY A 42 1.598 -14.242 -3.639 1.00 65.31 C ATOM 647 O GLY A 42 2.242 -14.597 -4.631 1.00 72.33 O ATOM 0 H GLY A 42 1.021 -13.914 -0.652 1.00 15.24 H new ATOM 0 HA2 GLY A 42 2.749 -14.727 -1.891 1.00 2.24 H new ATOM 0 HA3 GLY A 42 1.752 -16.043 -2.479 1.00 2.24 H new ATOM 651 N LYS A 43 0.717 -13.227 -3.645 1.00 24.24 N ATOM 652 CA LYS A 43 0.474 -12.333 -4.789 1.00 74.12 C ATOM 653 C LYS A 43 1.413 -11.109 -4.689 1.00 42.15 C ATOM 654 O LYS A 43 0.974 -9.953 -4.737 1.00 61.02 O ATOM 655 CB LYS A 43 -1.017 -11.887 -4.787 1.00 11.43 C ATOM 656 CG LYS A 43 -2.045 -13.035 -4.777 1.00 74.44 C ATOM 657 CD LYS A 43 -3.497 -12.501 -4.735 1.00 72.24 C ATOM 658 CE LYS A 43 -4.547 -13.614 -4.619 1.00 31.25 C ATOM 659 NZ LYS A 43 -5.928 -13.065 -4.543 1.00 61.21 N ATOM 0 H LYS A 43 0.140 -13.000 -2.835 1.00 24.24 H new ATOM 0 HA LYS A 43 0.680 -12.855 -5.723 1.00 74.12 H new ATOM 0 HB2 LYS A 43 -1.190 -11.258 -3.914 1.00 11.43 H new ATOM 0 HB3 LYS A 43 -1.196 -11.268 -5.666 1.00 11.43 H new ATOM 0 HG2 LYS A 43 -1.910 -13.653 -5.665 1.00 74.44 H new ATOM 0 HG3 LYS A 43 -1.867 -13.675 -3.913 1.00 74.44 H new ATOM 0 HD2 LYS A 43 -3.603 -11.821 -3.890 1.00 72.24 H new ATOM 0 HD3 LYS A 43 -3.690 -11.921 -5.637 1.00 72.24 H new ATOM 0 HE2 LYS A 43 -4.467 -14.280 -5.478 1.00 31.25 H new ATOM 0 HE3 LYS A 43 -4.345 -14.213 -3.731 1.00 31.25 H new ATOM 0 HZ1 LYS A 43 -6.264 -13.105 -3.560 1.00 61.21 H new ATOM 0 HZ2 LYS A 43 -5.927 -12.077 -4.868 1.00 61.21 H new ATOM 0 HZ3 LYS A 43 -6.559 -13.628 -5.148 1.00 61.21 H new ATOM 673 N VAL A 44 2.719 -11.389 -4.595 1.00 24.13 N ATOM 674 CA VAL A 44 3.748 -10.383 -4.267 1.00 32.21 C ATOM 675 C VAL A 44 3.933 -9.352 -5.415 1.00 50.40 C ATOM 676 O VAL A 44 4.341 -8.217 -5.169 1.00 21.22 O ATOM 677 CB VAL A 44 5.116 -11.077 -3.895 1.00 52.25 C ATOM 678 CG1 VAL A 44 6.171 -10.059 -3.404 1.00 1.22 C ATOM 679 CG2 VAL A 44 4.907 -12.200 -2.848 1.00 43.12 C ATOM 0 H VAL A 44 3.098 -12.324 -4.744 1.00 24.13 H new ATOM 0 HA VAL A 44 3.400 -9.832 -3.393 1.00 32.21 H new ATOM 0 HB VAL A 44 5.501 -11.528 -4.810 1.00 52.25 H new ATOM 0 HG11 VAL A 44 7.095 -10.582 -3.160 1.00 1.22 H new ATOM 0 HG12 VAL A 44 6.364 -9.328 -4.189 1.00 1.22 H new ATOM 0 HG13 VAL A 44 5.798 -9.548 -2.516 1.00 1.22 H new ATOM 0 HG21 VAL A 44 5.866 -12.660 -2.611 1.00 43.12 H new ATOM 0 HG22 VAL A 44 4.474 -11.777 -1.942 1.00 43.12 H new ATOM 0 HG23 VAL A 44 4.233 -12.955 -3.254 1.00 43.12 H new ATOM 689 N LYS A 45 3.609 -9.754 -6.664 1.00 54.14 N ATOM 690 CA LYS A 45 3.648 -8.852 -7.847 1.00 63.51 C ATOM 691 C LYS A 45 2.645 -7.693 -7.689 1.00 51.25 C ATOM 692 O LYS A 45 2.982 -6.522 -7.919 1.00 34.44 O ATOM 693 CB LYS A 45 3.334 -9.638 -9.152 1.00 31.41 C ATOM 694 CG LYS A 45 4.295 -10.807 -9.441 1.00 52.42 C ATOM 695 CD LYS A 45 5.765 -10.357 -9.551 1.00 73.30 C ATOM 696 CE LYS A 45 6.706 -11.512 -9.930 1.00 23.15 C ATOM 697 NZ LYS A 45 6.737 -12.585 -8.896 1.00 35.24 N ATOM 0 H LYS A 45 3.314 -10.705 -6.884 1.00 54.14 H new ATOM 0 HA LYS A 45 4.655 -8.440 -7.914 1.00 63.51 H new ATOM 0 HB2 LYS A 45 2.317 -10.027 -9.091 1.00 31.41 H new ATOM 0 HB3 LYS A 45 3.361 -8.946 -9.993 1.00 31.41 H new ATOM 0 HG2 LYS A 45 4.205 -11.550 -8.648 1.00 52.42 H new ATOM 0 HG3 LYS A 45 3.998 -11.294 -10.370 1.00 52.42 H new ATOM 0 HD2 LYS A 45 5.845 -9.567 -10.298 1.00 73.30 H new ATOM 0 HD3 LYS A 45 6.083 -9.930 -8.600 1.00 73.30 H new ATOM 0 HE2 LYS A 45 6.388 -11.938 -10.882 1.00 23.15 H new ATOM 0 HE3 LYS A 45 7.714 -11.123 -10.076 1.00 23.15 H new ATOM 0 HZ1 LYS A 45 7.546 -13.215 -9.073 1.00 35.24 H new ATOM 0 HZ2 LYS A 45 6.832 -12.156 -7.953 1.00 35.24 H new ATOM 0 HZ3 LYS A 45 5.855 -13.134 -8.939 1.00 35.24 H new ATOM 711 N GLU A 46 1.416 -8.053 -7.292 1.00 60.31 N ATOM 712 CA GLU A 46 0.334 -7.091 -7.015 1.00 0.42 C ATOM 713 C GLU A 46 0.700 -6.244 -5.784 1.00 32.13 C ATOM 714 O GLU A 46 0.481 -5.032 -5.774 1.00 20.32 O ATOM 715 CB GLU A 46 -1.026 -7.821 -6.784 1.00 14.54 C ATOM 716 CG GLU A 46 -1.632 -8.525 -8.027 1.00 43.34 C ATOM 717 CD GLU A 46 -0.772 -9.677 -8.596 1.00 44.45 C ATOM 718 OE1 GLU A 46 -0.650 -10.725 -7.929 1.00 42.15 O ATOM 719 OE2 GLU A 46 -0.196 -9.535 -9.698 1.00 63.14 O ATOM 0 H GLU A 46 1.141 -9.025 -7.153 1.00 60.31 H new ATOM 0 HA GLU A 46 0.219 -6.441 -7.882 1.00 0.42 H new ATOM 0 HB2 GLU A 46 -0.889 -8.565 -5.999 1.00 14.54 H new ATOM 0 HB3 GLU A 46 -1.749 -7.094 -6.413 1.00 14.54 H new ATOM 0 HG2 GLU A 46 -2.614 -8.918 -7.763 1.00 43.34 H new ATOM 0 HG3 GLU A 46 -1.786 -7.783 -8.810 1.00 43.34 H new ATOM 726 N ALA A 47 1.301 -6.914 -4.769 1.00 14.25 N ATOM 727 CA ALA A 47 1.757 -6.281 -3.517 1.00 2.35 C ATOM 728 C ALA A 47 2.694 -5.099 -3.794 1.00 23.30 C ATOM 729 O ALA A 47 2.511 -4.016 -3.230 1.00 30.11 O ATOM 730 CB ALA A 47 2.459 -7.314 -2.621 1.00 64.42 C ATOM 0 H ALA A 47 1.482 -7.917 -4.802 1.00 14.25 H new ATOM 0 HA ALA A 47 0.878 -5.898 -2.999 1.00 2.35 H new ATOM 0 HB1 ALA A 47 2.790 -6.832 -1.701 1.00 64.42 H new ATOM 0 HB2 ALA A 47 1.764 -8.118 -2.380 1.00 64.42 H new ATOM 0 HB3 ALA A 47 3.321 -7.725 -3.146 1.00 64.42 H new ATOM 736 N ILE A 48 3.670 -5.335 -4.702 1.00 32.24 N ATOM 737 CA ILE A 48 4.636 -4.324 -5.166 1.00 2.22 C ATOM 738 C ILE A 48 3.905 -3.072 -5.664 1.00 24.31 C ATOM 739 O ILE A 48 4.163 -1.981 -5.173 1.00 33.41 O ATOM 740 CB ILE A 48 5.564 -4.907 -6.310 1.00 23.34 C ATOM 741 CG1 ILE A 48 6.518 -6.001 -5.744 1.00 2.52 C ATOM 742 CG2 ILE A 48 6.373 -3.806 -7.045 1.00 12.22 C ATOM 743 CD1 ILE A 48 7.352 -6.710 -6.794 1.00 62.31 C ATOM 0 H ILE A 48 3.806 -6.248 -5.136 1.00 32.24 H new ATOM 0 HA ILE A 48 5.267 -4.050 -4.321 1.00 2.22 H new ATOM 0 HB ILE A 48 4.902 -5.360 -7.048 1.00 23.34 H new ATOM 0 HG12 ILE A 48 7.187 -5.541 -5.016 1.00 2.52 H new ATOM 0 HG13 ILE A 48 5.924 -6.742 -5.208 1.00 2.52 H new ATOM 0 HG21 ILE A 48 6.991 -4.263 -7.818 1.00 12.22 H new ATOM 0 HG22 ILE A 48 5.686 -3.095 -7.503 1.00 12.22 H new ATOM 0 HG23 ILE A 48 7.011 -3.286 -6.331 1.00 12.22 H new ATOM 0 HD11 ILE A 48 7.987 -7.454 -6.313 1.00 62.31 H new ATOM 0 HD12 ILE A 48 6.694 -7.202 -7.510 1.00 62.31 H new ATOM 0 HD13 ILE A 48 7.976 -5.983 -7.315 1.00 62.31 H new ATOM 755 N GLU A 49 2.952 -3.282 -6.593 1.00 43.30 N ATOM 756 CA GLU A 49 2.172 -2.207 -7.238 1.00 11.21 C ATOM 757 C GLU A 49 1.480 -1.287 -6.214 1.00 24.12 C ATOM 758 O GLU A 49 1.439 -0.069 -6.397 1.00 32.33 O ATOM 759 CB GLU A 49 1.126 -2.835 -8.205 1.00 43.44 C ATOM 760 CG GLU A 49 1.724 -3.470 -9.488 1.00 45.31 C ATOM 761 CD GLU A 49 2.082 -2.442 -10.591 1.00 43.52 C ATOM 762 OE1 GLU A 49 2.873 -1.501 -10.331 1.00 23.21 O ATOM 763 OE2 GLU A 49 1.547 -2.545 -11.720 1.00 54.25 O ATOM 0 H GLU A 49 2.699 -4.214 -6.921 1.00 43.30 H new ATOM 0 HA GLU A 49 2.866 -1.582 -7.800 1.00 11.21 H new ATOM 0 HB2 GLU A 49 0.566 -3.599 -7.666 1.00 43.44 H new ATOM 0 HB3 GLU A 49 0.413 -2.064 -8.497 1.00 43.44 H new ATOM 0 HG2 GLU A 49 2.621 -4.028 -9.221 1.00 45.31 H new ATOM 0 HG3 GLU A 49 1.011 -4.188 -9.892 1.00 45.31 H new ATOM 770 N TYR A 50 0.959 -1.890 -5.130 1.00 71.54 N ATOM 771 CA TYR A 50 0.293 -1.154 -4.044 1.00 52.22 C ATOM 772 C TYR A 50 1.298 -0.388 -3.169 1.00 12.10 C ATOM 773 O TYR A 50 1.020 0.735 -2.762 1.00 5.13 O ATOM 774 CB TYR A 50 -0.544 -2.113 -3.178 1.00 24.14 C ATOM 775 CG TYR A 50 -1.821 -2.597 -3.867 1.00 70.33 C ATOM 776 CD1 TYR A 50 -2.935 -1.764 -3.971 1.00 21.23 C ATOM 777 CD2 TYR A 50 -1.902 -3.858 -4.443 1.00 40.33 C ATOM 778 CE1 TYR A 50 -4.081 -2.179 -4.616 1.00 35.01 C ATOM 779 CE2 TYR A 50 -3.036 -4.277 -5.093 1.00 60.54 C ATOM 780 CZ TYR A 50 -4.125 -3.440 -5.180 1.00 54.32 C ATOM 781 OH TYR A 50 -5.259 -3.870 -5.836 1.00 54.10 O ATOM 0 H TYR A 50 0.989 -2.899 -4.984 1.00 71.54 H new ATOM 0 HA TYR A 50 -0.368 -0.421 -4.506 1.00 52.22 H new ATOM 0 HB2 TYR A 50 0.066 -2.976 -2.912 1.00 24.14 H new ATOM 0 HB3 TYR A 50 -0.810 -1.612 -2.247 1.00 24.14 H new ATOM 0 HD1 TYR A 50 -2.899 -0.775 -3.538 1.00 21.23 H new ATOM 0 HD2 TYR A 50 -1.054 -4.524 -4.378 1.00 40.33 H new ATOM 0 HE1 TYR A 50 -4.937 -1.524 -4.680 1.00 35.01 H new ATOM 0 HE2 TYR A 50 -3.074 -5.262 -5.535 1.00 60.54 H new ATOM 0 HH TYR A 50 -5.117 -4.780 -6.172 1.00 54.10 H new ATOM 791 N PHE A 51 2.459 -1.010 -2.886 1.00 13.44 N ATOM 792 CA PHE A 51 3.534 -0.377 -2.087 1.00 51.41 C ATOM 793 C PHE A 51 4.208 0.767 -2.878 1.00 2.33 C ATOM 794 O PHE A 51 4.748 1.695 -2.281 1.00 62.44 O ATOM 795 CB PHE A 51 4.620 -1.396 -1.671 1.00 23.14 C ATOM 796 CG PHE A 51 4.186 -2.588 -0.818 1.00 22.03 C ATOM 797 CD1 PHE A 51 3.255 -2.448 0.208 1.00 72.00 C ATOM 798 CD2 PHE A 51 4.752 -3.852 -1.027 1.00 31.12 C ATOM 799 CE1 PHE A 51 2.896 -3.532 0.987 1.00 62.11 C ATOM 800 CE2 PHE A 51 4.388 -4.933 -0.252 1.00 60.40 C ATOM 801 CZ PHE A 51 3.463 -4.772 0.755 1.00 73.13 C ATOM 0 H PHE A 51 2.680 -1.955 -3.199 1.00 13.44 H new ATOM 0 HA PHE A 51 3.060 0.020 -1.189 1.00 51.41 H new ATOM 0 HB2 PHE A 51 5.082 -1.784 -2.579 1.00 23.14 H new ATOM 0 HB3 PHE A 51 5.394 -0.857 -1.125 1.00 23.14 H new ATOM 0 HD1 PHE A 51 2.809 -1.483 0.397 1.00 72.00 H new ATOM 0 HD2 PHE A 51 5.486 -3.982 -1.808 1.00 31.12 H new ATOM 0 HE1 PHE A 51 2.171 -3.410 1.778 1.00 62.11 H new ATOM 0 HE2 PHE A 51 4.827 -5.903 -0.434 1.00 60.40 H new ATOM 0 HZ PHE A 51 3.179 -5.616 1.366 1.00 73.13 H new ATOM 811 N LEU A 52 4.192 0.658 -4.225 1.00 21.40 N ATOM 812 CA LEU A 52 4.765 1.682 -5.132 1.00 54.32 C ATOM 813 C LEU A 52 3.917 2.950 -5.054 1.00 4.21 C ATOM 814 O LEU A 52 4.432 4.057 -4.881 1.00 10.44 O ATOM 815 CB LEU A 52 4.806 1.181 -6.610 1.00 64.15 C ATOM 816 CG LEU A 52 5.786 0.016 -6.932 1.00 2.44 C ATOM 817 CD1 LEU A 52 5.694 -0.409 -8.413 1.00 23.33 C ATOM 818 CD2 LEU A 52 7.227 0.373 -6.544 1.00 24.42 C ATOM 0 H LEU A 52 3.784 -0.138 -4.714 1.00 21.40 H new ATOM 0 HA LEU A 52 5.788 1.885 -4.814 1.00 54.32 H new ATOM 0 HB2 LEU A 52 3.801 0.865 -6.889 1.00 64.15 H new ATOM 0 HB3 LEU A 52 5.063 2.027 -7.248 1.00 64.15 H new ATOM 0 HG LEU A 52 5.484 -0.839 -6.327 1.00 2.44 H new ATOM 0 HD11 LEU A 52 6.392 -1.225 -8.602 1.00 23.33 H new ATOM 0 HD12 LEU A 52 4.680 -0.741 -8.634 1.00 23.33 H new ATOM 0 HD13 LEU A 52 5.945 0.438 -9.051 1.00 23.33 H new ATOM 0 HD21 LEU A 52 7.886 -0.462 -6.782 1.00 24.42 H new ATOM 0 HD22 LEU A 52 7.545 1.256 -7.099 1.00 24.42 H new ATOM 0 HD23 LEU A 52 7.275 0.580 -5.475 1.00 24.42 H new ATOM 830 N ARG A 53 2.599 2.736 -5.177 1.00 25.41 N ATOM 831 CA ARG A 53 1.588 3.794 -5.111 1.00 70.33 C ATOM 832 C ARG A 53 1.480 4.361 -3.683 1.00 62.44 C ATOM 833 O ARG A 53 1.260 5.553 -3.515 1.00 75.22 O ATOM 834 CB ARG A 53 0.228 3.235 -5.619 1.00 64.34 C ATOM 835 CG ARG A 53 0.222 2.903 -7.127 1.00 13.10 C ATOM 836 CD ARG A 53 -1.032 2.131 -7.588 1.00 10.53 C ATOM 837 NE ARG A 53 -1.087 1.990 -9.059 1.00 30.15 N ATOM 838 CZ ARG A 53 -0.399 1.099 -9.790 1.00 51.20 C ATOM 839 NH1 ARG A 53 0.424 0.220 -9.219 1.00 41.21 N ATOM 840 NH2 ARG A 53 -0.551 1.092 -11.103 1.00 54.22 N ATOM 0 H ARG A 53 2.203 1.808 -5.327 1.00 25.41 H new ATOM 0 HA ARG A 53 1.883 4.622 -5.756 1.00 70.33 H new ATOM 0 HB2 ARG A 53 -0.019 2.335 -5.056 1.00 64.34 H new ATOM 0 HB3 ARG A 53 -0.555 3.964 -5.413 1.00 64.34 H new ATOM 0 HG2 ARG A 53 0.295 3.831 -7.694 1.00 13.10 H new ATOM 0 HG3 ARG A 53 1.108 2.314 -7.364 1.00 13.10 H new ATOM 0 HD2 ARG A 53 -1.038 1.143 -7.129 1.00 10.53 H new ATOM 0 HD3 ARG A 53 -1.925 2.650 -7.240 1.00 10.53 H new ATOM 0 HE ARG A 53 -1.703 2.627 -9.564 1.00 30.15 H new ATOM 0 HH11 ARG A 53 0.541 0.215 -8.206 1.00 41.21 H new ATOM 0 HH12 ARG A 53 0.936 -0.448 -9.795 1.00 41.21 H new ATOM 0 HH21 ARG A 53 -1.184 1.757 -11.547 1.00 54.22 H new ATOM 0 HH22 ARG A 53 -0.035 0.421 -11.673 1.00 54.22 H new ATOM 854 N ALA A 54 1.675 3.492 -2.667 1.00 4.51 N ATOM 855 CA ALA A 54 1.660 3.895 -1.245 1.00 33.43 C ATOM 856 C ALA A 54 2.819 4.855 -0.956 1.00 20.33 C ATOM 857 O ALA A 54 2.611 5.954 -0.434 1.00 73.31 O ATOM 858 CB ALA A 54 1.748 2.659 -0.331 1.00 31.34 C ATOM 0 H ALA A 54 1.846 2.497 -2.809 1.00 4.51 H new ATOM 0 HA ALA A 54 0.720 4.407 -1.040 1.00 33.43 H new ATOM 0 HB1 ALA A 54 1.736 2.976 0.712 1.00 31.34 H new ATOM 0 HB2 ALA A 54 0.898 2.004 -0.521 1.00 31.34 H new ATOM 0 HB3 ALA A 54 2.673 2.120 -0.536 1.00 31.34 H new ATOM 864 N LYS A 55 4.025 4.432 -1.378 1.00 71.14 N ATOM 865 CA LYS A 55 5.272 5.199 -1.226 1.00 20.35 C ATOM 866 C LYS A 55 5.173 6.541 -1.955 1.00 30.04 C ATOM 867 O LYS A 55 5.606 7.565 -1.437 1.00 63.43 O ATOM 868 CB LYS A 55 6.464 4.379 -1.789 1.00 50.31 C ATOM 869 CG LYS A 55 7.830 5.086 -1.693 1.00 52.03 C ATOM 870 CD LYS A 55 8.988 4.228 -2.233 1.00 65.21 C ATOM 871 CE LYS A 55 10.352 4.916 -2.069 1.00 13.32 C ATOM 872 NZ LYS A 55 10.375 6.284 -2.666 1.00 74.32 N ATOM 0 H LYS A 55 4.161 3.533 -1.841 1.00 71.14 H new ATOM 0 HA LYS A 55 5.434 5.393 -0.166 1.00 20.35 H new ATOM 0 HB2 LYS A 55 6.521 3.431 -1.253 1.00 50.31 H new ATOM 0 HB3 LYS A 55 6.264 4.143 -2.834 1.00 50.31 H new ATOM 0 HG2 LYS A 55 7.789 6.023 -2.249 1.00 52.03 H new ATOM 0 HG3 LYS A 55 8.029 5.342 -0.652 1.00 52.03 H new ATOM 0 HD2 LYS A 55 9.002 3.271 -1.711 1.00 65.21 H new ATOM 0 HD3 LYS A 55 8.817 4.014 -3.288 1.00 65.21 H new ATOM 0 HE2 LYS A 55 10.598 4.981 -1.009 1.00 13.32 H new ATOM 0 HE3 LYS A 55 11.123 4.305 -2.538 1.00 13.32 H new ATOM 0 HZ1 LYS A 55 11.350 6.646 -2.667 1.00 74.32 H new ATOM 0 HZ2 LYS A 55 10.020 6.243 -3.643 1.00 74.32 H new ATOM 0 HZ3 LYS A 55 9.771 6.918 -2.105 1.00 74.32 H new ATOM 886 N LYS A 56 4.581 6.490 -3.157 1.00 43.41 N ATOM 887 CA LYS A 56 4.381 7.645 -4.040 1.00 2.23 C ATOM 888 C LYS A 56 3.523 8.729 -3.365 1.00 20.14 C ATOM 889 O LYS A 56 3.845 9.923 -3.434 1.00 5.15 O ATOM 890 CB LYS A 56 3.703 7.154 -5.343 1.00 30.22 C ATOM 891 CG LYS A 56 3.374 8.248 -6.374 1.00 20.43 C ATOM 892 CD LYS A 56 2.590 7.688 -7.586 1.00 31.44 C ATOM 893 CE LYS A 56 2.290 8.754 -8.645 1.00 40.32 C ATOM 894 NZ LYS A 56 1.633 8.179 -9.848 1.00 32.54 N ATOM 0 H LYS A 56 4.219 5.621 -3.551 1.00 43.41 H new ATOM 0 HA LYS A 56 5.348 8.095 -4.264 1.00 2.23 H new ATOM 0 HB2 LYS A 56 4.354 6.419 -5.815 1.00 30.22 H new ATOM 0 HB3 LYS A 56 2.779 6.639 -5.079 1.00 30.22 H new ATOM 0 HG2 LYS A 56 2.788 9.033 -5.895 1.00 20.43 H new ATOM 0 HG3 LYS A 56 4.299 8.708 -6.722 1.00 20.43 H new ATOM 0 HD2 LYS A 56 3.164 6.881 -8.042 1.00 31.44 H new ATOM 0 HD3 LYS A 56 1.652 7.255 -7.237 1.00 31.44 H new ATOM 0 HE2 LYS A 56 1.647 9.522 -8.214 1.00 40.32 H new ATOM 0 HE3 LYS A 56 3.218 9.244 -8.939 1.00 40.32 H new ATOM 0 HZ1 LYS A 56 1.449 8.935 -10.538 1.00 32.54 H new ATOM 0 HZ2 LYS A 56 2.256 7.465 -10.276 1.00 32.54 H new ATOM 0 HZ3 LYS A 56 0.734 7.734 -9.573 1.00 32.54 H new ATOM 908 N VAL A 57 2.431 8.285 -2.718 1.00 12.21 N ATOM 909 CA VAL A 57 1.488 9.175 -2.029 1.00 62.33 C ATOM 910 C VAL A 57 2.173 9.856 -0.824 1.00 73.41 C ATOM 911 O VAL A 57 2.158 11.088 -0.721 1.00 55.30 O ATOM 912 CB VAL A 57 0.196 8.389 -1.591 1.00 35.41 C ATOM 913 CG1 VAL A 57 -0.703 9.244 -0.691 1.00 60.45 C ATOM 914 CG2 VAL A 57 -0.606 7.903 -2.825 1.00 15.34 C ATOM 0 H VAL A 57 2.180 7.298 -2.660 1.00 12.21 H new ATOM 0 HA VAL A 57 1.176 9.956 -2.722 1.00 62.33 H new ATOM 0 HB VAL A 57 0.527 7.520 -1.022 1.00 35.41 H new ATOM 0 HG11 VAL A 57 -1.585 8.670 -0.408 1.00 60.45 H new ATOM 0 HG12 VAL A 57 -0.153 9.531 0.205 1.00 60.45 H new ATOM 0 HG13 VAL A 57 -1.011 10.140 -1.230 1.00 60.45 H new ATOM 0 HG21 VAL A 57 -1.493 7.363 -2.493 1.00 15.34 H new ATOM 0 HG22 VAL A 57 -0.907 8.762 -3.425 1.00 15.34 H new ATOM 0 HG23 VAL A 57 0.017 7.241 -3.426 1.00 15.34 H new ATOM 924 N PHE A 58 2.803 9.040 0.049 1.00 2.32 N ATOM 925 CA PHE A 58 3.557 9.542 1.220 1.00 70.01 C ATOM 926 C PHE A 58 4.703 10.490 0.789 1.00 1.31 C ATOM 927 O PHE A 58 4.973 11.483 1.457 1.00 11.13 O ATOM 928 CB PHE A 58 4.127 8.370 2.067 1.00 63.33 C ATOM 929 CG PHE A 58 3.085 7.550 2.840 1.00 5.34 C ATOM 930 CD1 PHE A 58 2.358 8.121 3.884 1.00 34.13 C ATOM 931 CD2 PHE A 58 2.859 6.202 2.549 1.00 11.51 C ATOM 932 CE1 PHE A 58 1.439 7.372 4.602 1.00 23.33 C ATOM 933 CE2 PHE A 58 1.947 5.457 3.269 1.00 12.01 C ATOM 934 CZ PHE A 58 1.236 6.044 4.295 1.00 21.43 C ATOM 0 H PHE A 58 2.804 8.024 -0.036 1.00 2.32 H new ATOM 0 HA PHE A 58 2.856 10.106 1.835 1.00 70.01 H new ATOM 0 HB2 PHE A 58 4.675 7.699 1.406 1.00 63.33 H new ATOM 0 HB3 PHE A 58 4.847 8.775 2.778 1.00 63.33 H new ATOM 0 HD1 PHE A 58 2.513 9.160 4.136 1.00 34.13 H new ATOM 0 HD2 PHE A 58 3.408 5.734 1.745 1.00 11.51 H new ATOM 0 HE1 PHE A 58 0.880 7.831 5.405 1.00 23.33 H new ATOM 0 HE2 PHE A 58 1.790 4.416 3.029 1.00 12.01 H new ATOM 0 HZ PHE A 58 0.520 5.463 4.858 1.00 21.43 H new ATOM 944 N ASP A 59 5.337 10.182 -0.360 1.00 25.14 N ATOM 945 CA ASP A 59 6.459 10.976 -0.910 1.00 31.44 C ATOM 946 C ASP A 59 5.979 12.372 -1.333 1.00 22.30 C ATOM 947 O ASP A 59 6.676 13.371 -1.102 1.00 44.42 O ATOM 948 CB ASP A 59 7.113 10.247 -2.115 1.00 54.01 C ATOM 949 CG ASP A 59 8.334 10.993 -2.700 1.00 32.02 C ATOM 950 OD1 ASP A 59 9.444 10.865 -2.139 1.00 53.45 O ATOM 951 OD2 ASP A 59 8.187 11.711 -3.717 1.00 23.31 O ATOM 0 H ASP A 59 5.087 9.377 -0.934 1.00 25.14 H new ATOM 0 HA ASP A 59 7.208 11.088 -0.126 1.00 31.44 H new ATOM 0 HB2 ASP A 59 7.423 9.250 -1.801 1.00 54.01 H new ATOM 0 HB3 ASP A 59 6.367 10.117 -2.899 1.00 54.01 H new ATOM 956 N ALA A 60 4.777 12.422 -1.933 1.00 72.24 N ATOM 957 CA ALA A 60 4.128 13.688 -2.344 1.00 50.32 C ATOM 958 C ALA A 60 3.934 14.632 -1.145 1.00 63.11 C ATOM 959 O ALA A 60 4.110 15.845 -1.256 1.00 51.33 O ATOM 960 CB ALA A 60 2.767 13.403 -3.003 1.00 64.23 C ATOM 0 H ALA A 60 4.226 11.591 -2.148 1.00 72.24 H new ATOM 0 HA ALA A 60 4.784 14.177 -3.064 1.00 50.32 H new ATOM 0 HB1 ALA A 60 2.302 14.343 -3.300 1.00 64.23 H new ATOM 0 HB2 ALA A 60 2.913 12.777 -3.883 1.00 64.23 H new ATOM 0 HB3 ALA A 60 2.120 12.887 -2.294 1.00 64.23 H new ATOM 966 N GLU A 61 3.602 14.028 0.002 1.00 33.32 N ATOM 967 CA GLU A 61 3.325 14.736 1.267 1.00 42.32 C ATOM 968 C GLU A 61 4.612 14.979 2.078 1.00 21.43 C ATOM 969 O GLU A 61 4.586 15.696 3.089 1.00 52.01 O ATOM 970 CB GLU A 61 2.339 13.881 2.084 1.00 63.11 C ATOM 971 CG GLU A 61 1.069 13.501 1.310 1.00 65.32 C ATOM 972 CD GLU A 61 0.233 12.476 2.063 1.00 50.23 C ATOM 973 OE1 GLU A 61 0.518 11.267 1.939 1.00 22.13 O ATOM 974 OE2 GLU A 61 -0.686 12.877 2.811 1.00 74.24 O ATOM 0 H GLU A 61 3.516 13.015 0.083 1.00 33.32 H new ATOM 0 HA GLU A 61 2.898 15.714 1.044 1.00 42.32 H new ATOM 0 HB2 GLU A 61 2.843 12.971 2.409 1.00 63.11 H new ATOM 0 HB3 GLU A 61 2.056 14.427 2.984 1.00 63.11 H new ATOM 0 HG2 GLU A 61 0.472 14.395 1.130 1.00 65.32 H new ATOM 0 HG3 GLU A 61 1.344 13.100 0.335 1.00 65.32 H new ATOM 981 N HIS A 62 5.723 14.355 1.625 1.00 62.31 N ATOM 982 CA HIS A 62 7.044 14.400 2.284 1.00 24.31 C ATOM 983 C HIS A 62 7.010 13.671 3.651 1.00 41.23 C ATOM 984 O HIS A 62 7.789 13.981 4.556 1.00 4.34 O ATOM 985 CB HIS A 62 7.589 15.861 2.414 1.00 3.20 C ATOM 986 CG HIS A 62 7.803 16.572 1.094 1.00 40.41 C ATOM 987 ND1 HIS A 62 9.044 16.978 0.642 1.00 44.24 N ATOM 988 CD2 HIS A 62 6.918 16.999 0.159 1.00 40.42 C ATOM 989 CE1 HIS A 62 8.910 17.601 -0.513 1.00 2.32 C ATOM 990 NE2 HIS A 62 7.632 17.631 -0.823 1.00 35.02 N ATOM 0 H HIS A 62 5.724 13.795 0.773 1.00 62.31 H new ATOM 0 HA HIS A 62 7.745 13.866 1.643 1.00 24.31 H new ATOM 0 HB2 HIS A 62 6.892 16.443 3.017 1.00 3.20 H new ATOM 0 HB3 HIS A 62 8.534 15.836 2.956 1.00 3.20 H new ATOM 0 HD2 HIS A 62 5.847 16.865 0.185 1.00 40.42 H new ATOM 0 HE1 HIS A 62 9.713 18.016 -1.104 1.00 2.32 H new ATOM 0 HE2 HIS A 62 7.236 18.057 -1.661 1.00 35.02 H new ATOM 999 N ASP A 63 6.118 12.661 3.756 1.00 73.13 N ATOM 1000 CA ASP A 63 6.020 11.765 4.927 1.00 0.54 C ATOM 1001 C ASP A 63 7.150 10.730 4.811 1.00 11.13 C ATOM 1002 O ASP A 63 7.048 9.753 4.049 1.00 12.20 O ATOM 1003 CB ASP A 63 4.620 11.069 4.978 1.00 31.12 C ATOM 1004 CG ASP A 63 4.328 10.294 6.294 1.00 13.43 C ATOM 1005 OD1 ASP A 63 5.071 9.356 6.639 1.00 62.32 O ATOM 1006 OD2 ASP A 63 3.348 10.622 6.998 1.00 24.14 O ATOM 0 H ASP A 63 5.441 12.444 3.024 1.00 73.13 H new ATOM 0 HA ASP A 63 6.123 12.332 5.852 1.00 0.54 H new ATOM 0 HB2 ASP A 63 3.848 11.826 4.839 1.00 31.12 H new ATOM 0 HB3 ASP A 63 4.543 10.377 4.140 1.00 31.12 H new ATOM 1011 N THR A 64 8.245 11.001 5.541 1.00 3.03 N ATOM 1012 CA THR A 64 9.481 10.219 5.466 1.00 64.42 C ATOM 1013 C THR A 64 9.272 8.767 5.943 1.00 40.12 C ATOM 1014 O THR A 64 9.771 7.836 5.306 1.00 63.32 O ATOM 1015 CB THR A 64 10.645 10.908 6.265 1.00 62.42 C ATOM 1016 OG1 THR A 64 11.847 10.122 6.188 1.00 70.33 O ATOM 1017 CG2 THR A 64 10.293 11.156 7.740 1.00 65.43 C ATOM 0 H THR A 64 8.293 11.775 6.203 1.00 3.03 H new ATOM 0 HA THR A 64 9.769 10.181 4.416 1.00 64.42 H new ATOM 0 HB THR A 64 10.803 11.879 5.796 1.00 62.42 H new ATOM 0 HG1 THR A 64 12.522 10.497 6.791 1.00 70.33 H new ATOM 0 HG21 THR A 64 11.136 11.634 8.240 1.00 65.43 H new ATOM 0 HG22 THR A 64 9.419 11.805 7.801 1.00 65.43 H new ATOM 0 HG23 THR A 64 10.074 10.206 8.227 1.00 65.43 H new ATOM 1025 N ASP A 65 8.492 8.579 7.031 1.00 20.40 N ATOM 1026 CA ASP A 65 8.254 7.250 7.621 1.00 21.30 C ATOM 1027 C ASP A 65 7.576 6.326 6.607 1.00 44.12 C ATOM 1028 O ASP A 65 8.125 5.288 6.285 1.00 72.11 O ATOM 1029 CB ASP A 65 7.391 7.336 8.909 1.00 11.54 C ATOM 1030 CG ASP A 65 7.074 5.944 9.516 1.00 70.43 C ATOM 1031 OD1 ASP A 65 7.964 5.367 10.184 1.00 2.53 O ATOM 1032 OD2 ASP A 65 5.945 5.417 9.322 1.00 62.10 O ATOM 0 H ASP A 65 8.016 9.338 7.518 1.00 20.40 H new ATOM 0 HA ASP A 65 9.227 6.839 7.892 1.00 21.30 H new ATOM 0 HB2 ASP A 65 7.913 7.940 9.651 1.00 11.54 H new ATOM 0 HB3 ASP A 65 6.457 7.849 8.681 1.00 11.54 H new ATOM 1037 N GLY A 66 6.422 6.777 6.086 1.00 5.22 N ATOM 1038 CA GLY A 66 5.533 5.954 5.266 1.00 20.21 C ATOM 1039 C GLY A 66 6.084 5.599 3.895 1.00 53.12 C ATOM 1040 O GLY A 66 5.806 4.507 3.379 1.00 34.44 O ATOM 0 H GLY A 66 6.083 7.729 6.226 1.00 5.22 H new ATOM 0 HA2 GLY A 66 5.314 5.032 5.805 1.00 20.21 H new ATOM 0 HA3 GLY A 66 4.587 6.481 5.138 1.00 20.21 H new ATOM 1044 N ALA A 67 6.847 6.524 3.292 1.00 24.03 N ATOM 1045 CA ALA A 67 7.479 6.292 1.984 1.00 54.24 C ATOM 1046 C ALA A 67 8.598 5.241 2.121 1.00 45.24 C ATOM 1047 O ALA A 67 8.690 4.307 1.322 1.00 34.03 O ATOM 1048 CB ALA A 67 8.005 7.612 1.408 1.00 41.21 C ATOM 0 H ALA A 67 7.042 7.442 3.691 1.00 24.03 H new ATOM 0 HA ALA A 67 6.738 5.902 1.286 1.00 54.24 H new ATOM 0 HB1 ALA A 67 8.470 7.427 0.440 1.00 41.21 H new ATOM 0 HB2 ALA A 67 7.177 8.311 1.285 1.00 41.21 H new ATOM 0 HB3 ALA A 67 8.742 8.038 2.089 1.00 41.21 H new ATOM 1054 N ARG A 68 9.415 5.396 3.172 1.00 22.53 N ATOM 1055 CA ARG A 68 10.488 4.443 3.527 1.00 14.42 C ATOM 1056 C ARG A 68 9.897 3.104 4.044 1.00 52.01 C ATOM 1057 O ARG A 68 10.505 2.054 3.887 1.00 51.45 O ATOM 1058 CB ARG A 68 11.450 5.099 4.559 1.00 2.42 C ATOM 1059 CG ARG A 68 12.302 6.263 3.966 1.00 11.52 C ATOM 1060 CD ARG A 68 12.874 7.222 5.032 1.00 61.44 C ATOM 1061 NE ARG A 68 13.680 6.542 6.061 1.00 40.22 N ATOM 1062 CZ ARG A 68 13.831 6.955 7.334 1.00 5.52 C ATOM 1063 NH1 ARG A 68 13.229 8.064 7.777 1.00 74.53 N ATOM 1064 NH2 ARG A 68 14.606 6.261 8.154 1.00 63.32 N ATOM 0 H ARG A 68 9.353 6.191 3.808 1.00 22.53 H new ATOM 0 HA ARG A 68 11.065 4.202 2.634 1.00 14.42 H new ATOM 0 HB2 ARG A 68 10.866 5.478 5.398 1.00 2.42 H new ATOM 0 HB3 ARG A 68 12.119 4.336 4.956 1.00 2.42 H new ATOM 0 HG2 ARG A 68 13.126 5.841 3.391 1.00 11.52 H new ATOM 0 HG3 ARG A 68 11.687 6.833 3.270 1.00 11.52 H new ATOM 0 HD2 ARG A 68 13.489 7.975 4.539 1.00 61.44 H new ATOM 0 HD3 ARG A 68 12.051 7.748 5.515 1.00 61.44 H new ATOM 0 HE ARG A 68 14.164 5.687 5.786 1.00 40.22 H new ATOM 0 HH11 ARG A 68 12.644 8.613 7.147 1.00 74.53 H new ATOM 0 HH12 ARG A 68 13.355 8.361 8.745 1.00 74.53 H new ATOM 0 HH21 ARG A 68 15.081 5.423 7.819 1.00 63.32 H new ATOM 0 HH22 ARG A 68 14.727 6.565 9.120 1.00 63.32 H new ATOM 1078 N ARG A 69 8.703 3.176 4.648 1.00 52.02 N ATOM 1079 CA ARG A 69 7.959 2.021 5.214 1.00 41.14 C ATOM 1080 C ARG A 69 7.452 1.106 4.092 1.00 13.24 C ATOM 1081 O ARG A 69 7.520 -0.129 4.188 1.00 13.04 O ATOM 1082 CB ARG A 69 6.771 2.583 6.030 1.00 43.02 C ATOM 1083 CG ARG A 69 5.935 1.595 6.856 1.00 14.43 C ATOM 1084 CD ARG A 69 4.816 2.335 7.620 1.00 14.21 C ATOM 1085 NE ARG A 69 4.203 1.514 8.672 1.00 61.23 N ATOM 1086 CZ ARG A 69 3.770 1.980 9.856 1.00 20.50 C ATOM 1087 NH1 ARG A 69 3.880 3.276 10.165 1.00 31.43 N ATOM 1088 NH2 ARG A 69 3.240 1.142 10.732 1.00 33.42 N ATOM 0 H ARG A 69 8.207 4.059 4.764 1.00 52.02 H new ATOM 0 HA ARG A 69 8.612 1.427 5.853 1.00 41.14 H new ATOM 0 HB2 ARG A 69 7.161 3.341 6.710 1.00 43.02 H new ATOM 0 HB3 ARG A 69 6.100 3.091 5.337 1.00 43.02 H new ATOM 0 HG2 ARG A 69 5.498 0.843 6.199 1.00 14.43 H new ATOM 0 HG3 ARG A 69 6.577 1.068 7.562 1.00 14.43 H new ATOM 0 HD2 ARG A 69 5.226 3.241 8.066 1.00 14.21 H new ATOM 0 HD3 ARG A 69 4.046 2.647 6.914 1.00 14.21 H new ATOM 0 HE ARG A 69 4.098 0.516 8.491 1.00 61.23 H new ATOM 0 HH11 ARG A 69 4.297 3.926 9.498 1.00 31.43 H new ATOM 0 HH12 ARG A 69 3.547 3.615 11.067 1.00 31.43 H new ATOM 0 HH21 ARG A 69 3.162 0.150 10.507 1.00 33.42 H new ATOM 0 HH22 ARG A 69 2.909 1.488 11.633 1.00 33.42 H new ATOM 1102 N ALA A 70 6.939 1.747 3.028 1.00 21.21 N ATOM 1103 CA ALA A 70 6.500 1.064 1.808 1.00 53.33 C ATOM 1104 C ALA A 70 7.710 0.512 1.053 1.00 30.41 C ATOM 1105 O ALA A 70 7.662 -0.599 0.537 1.00 3.14 O ATOM 1106 CB ALA A 70 5.669 2.013 0.942 1.00 65.40 C ATOM 0 H ALA A 70 6.818 2.759 2.994 1.00 21.21 H new ATOM 0 HA ALA A 70 5.863 0.220 2.072 1.00 53.33 H new ATOM 0 HB1 ALA A 70 5.348 1.494 0.038 1.00 65.40 H new ATOM 0 HB2 ALA A 70 4.793 2.343 1.501 1.00 65.40 H new ATOM 0 HB3 ALA A 70 6.272 2.879 0.669 1.00 65.40 H new ATOM 1112 N ALA A 71 8.805 1.299 1.051 1.00 13.10 N ATOM 1113 CA ALA A 71 10.099 0.903 0.467 1.00 2.21 C ATOM 1114 C ALA A 71 10.729 -0.290 1.228 1.00 25.33 C ATOM 1115 O ALA A 71 11.444 -1.095 0.637 1.00 13.40 O ATOM 1116 CB ALA A 71 11.059 2.103 0.470 1.00 24.34 C ATOM 0 H ALA A 71 8.814 2.234 1.458 1.00 13.10 H new ATOM 0 HA ALA A 71 9.922 0.581 -0.559 1.00 2.21 H new ATOM 0 HB1 ALA A 71 12.014 1.806 0.037 1.00 24.34 H new ATOM 0 HB2 ALA A 71 10.630 2.913 -0.119 1.00 24.34 H new ATOM 0 HB3 ALA A 71 11.214 2.442 1.494 1.00 24.34 H new ATOM 1122 N LYS A 72 10.440 -0.378 2.539 1.00 42.44 N ATOM 1123 CA LYS A 72 10.956 -1.434 3.438 1.00 54.32 C ATOM 1124 C LYS A 72 10.279 -2.783 3.134 1.00 24.51 C ATOM 1125 O LYS A 72 10.946 -3.823 3.030 1.00 73.53 O ATOM 1126 CB LYS A 72 10.692 -1.014 4.907 1.00 24.31 C ATOM 1127 CG LYS A 72 11.213 -1.983 5.995 1.00 30.03 C ATOM 1128 CD LYS A 72 10.817 -1.524 7.423 1.00 41.03 C ATOM 1129 CE LYS A 72 11.344 -0.122 7.781 1.00 24.45 C ATOM 1130 NZ LYS A 72 10.880 0.320 9.127 1.00 71.51 N ATOM 0 H LYS A 72 9.833 0.291 3.013 1.00 42.44 H new ATOM 0 HA LYS A 72 12.027 -1.555 3.279 1.00 54.32 H new ATOM 0 HB2 LYS A 72 11.146 -0.037 5.072 1.00 24.31 H new ATOM 0 HB3 LYS A 72 9.617 -0.893 5.042 1.00 24.31 H new ATOM 0 HG2 LYS A 72 10.815 -2.981 5.812 1.00 30.03 H new ATOM 0 HG3 LYS A 72 12.298 -2.055 5.926 1.00 30.03 H new ATOM 0 HD2 LYS A 72 9.731 -1.529 7.510 1.00 41.03 H new ATOM 0 HD3 LYS A 72 11.199 -2.244 8.147 1.00 41.03 H new ATOM 0 HE2 LYS A 72 12.434 -0.127 7.756 1.00 24.45 H new ATOM 0 HE3 LYS A 72 11.011 0.594 7.029 1.00 24.45 H new ATOM 0 HZ1 LYS A 72 11.256 1.268 9.330 1.00 71.51 H new ATOM 0 HZ2 LYS A 72 9.841 0.349 9.144 1.00 71.51 H new ATOM 0 HZ3 LYS A 72 11.219 -0.349 9.848 1.00 71.51 H new ATOM 1144 N SER A 73 8.940 -2.737 2.987 1.00 23.12 N ATOM 1145 CA SER A 73 8.130 -3.912 2.629 1.00 24.31 C ATOM 1146 C SER A 73 8.413 -4.328 1.164 1.00 42.05 C ATOM 1147 O SER A 73 8.328 -5.509 0.818 1.00 43.15 O ATOM 1148 CB SER A 73 6.630 -3.614 2.858 1.00 5.33 C ATOM 1149 OG SER A 73 5.852 -4.796 2.784 1.00 23.43 O ATOM 0 H SER A 73 8.393 -1.885 3.113 1.00 23.12 H new ATOM 0 HA SER A 73 8.404 -4.749 3.271 1.00 24.31 H new ATOM 0 HB2 SER A 73 6.495 -3.148 3.834 1.00 5.33 H new ATOM 0 HB3 SER A 73 6.281 -2.899 2.112 1.00 5.33 H new ATOM 0 HG SER A 73 5.210 -4.719 2.048 1.00 23.43 H new ATOM 1155 N LEU A 74 8.762 -3.325 0.322 1.00 21.44 N ATOM 1156 CA LEU A 74 9.262 -3.542 -1.055 1.00 31.40 C ATOM 1157 C LEU A 74 10.633 -4.231 -1.048 1.00 72.43 C ATOM 1158 O LEU A 74 10.902 -5.049 -1.917 1.00 63.22 O ATOM 1159 CB LEU A 74 9.353 -2.200 -1.841 1.00 64.50 C ATOM 1160 CG LEU A 74 8.018 -1.674 -2.429 1.00 72.05 C ATOM 1161 CD1 LEU A 74 8.147 -0.237 -2.962 1.00 75.21 C ATOM 1162 CD2 LEU A 74 7.484 -2.624 -3.517 1.00 52.33 C ATOM 0 H LEU A 74 8.704 -2.340 0.581 1.00 21.44 H new ATOM 0 HA LEU A 74 8.546 -4.193 -1.556 1.00 31.40 H new ATOM 0 HB2 LEU A 74 9.762 -1.438 -1.177 1.00 64.50 H new ATOM 0 HB3 LEU A 74 10.064 -2.326 -2.658 1.00 64.50 H new ATOM 0 HG LEU A 74 7.295 -1.648 -1.614 1.00 72.05 H new ATOM 0 HD11 LEU A 74 7.188 0.089 -3.364 1.00 75.21 H new ATOM 0 HD12 LEU A 74 8.445 0.427 -2.150 1.00 75.21 H new ATOM 0 HD13 LEU A 74 8.900 -0.207 -3.750 1.00 75.21 H new ATOM 0 HD21 LEU A 74 6.547 -2.233 -3.914 1.00 52.33 H new ATOM 0 HD22 LEU A 74 8.214 -2.702 -4.322 1.00 52.33 H new ATOM 0 HD23 LEU A 74 7.312 -3.610 -3.086 1.00 52.33 H new ATOM 1174 N SER A 75 11.497 -3.884 -0.075 1.00 24.25 N ATOM 1175 CA SER A 75 12.849 -4.466 0.031 1.00 74.13 C ATOM 1176 C SER A 75 12.777 -5.978 0.314 1.00 41.45 C ATOM 1177 O SER A 75 13.616 -6.745 -0.161 1.00 4.15 O ATOM 1178 CB SER A 75 13.675 -3.731 1.111 1.00 3.42 C ATOM 1179 OG SER A 75 13.896 -2.376 0.755 1.00 1.42 O ATOM 0 H SER A 75 11.282 -3.201 0.651 1.00 24.25 H new ATOM 0 HA SER A 75 13.355 -4.334 -0.926 1.00 74.13 H new ATOM 0 HB2 SER A 75 13.153 -3.778 2.066 1.00 3.42 H new ATOM 0 HB3 SER A 75 14.632 -4.235 1.246 1.00 3.42 H new ATOM 0 HG SER A 75 13.036 -1.910 0.691 1.00 1.42 H new ATOM 1185 N GLU A 76 11.753 -6.389 1.084 1.00 54.21 N ATOM 1186 CA GLU A 76 11.419 -7.810 1.281 1.00 14.34 C ATOM 1187 C GLU A 76 10.830 -8.413 -0.007 1.00 22.21 C ATOM 1188 O GLU A 76 11.275 -9.472 -0.456 1.00 60.51 O ATOM 1189 CB GLU A 76 10.432 -7.980 2.473 1.00 24.02 C ATOM 1190 CG GLU A 76 11.087 -7.854 3.863 1.00 22.21 C ATOM 1191 CD GLU A 76 12.137 -8.953 4.135 1.00 63.14 C ATOM 1192 OE1 GLU A 76 11.761 -10.149 4.197 1.00 13.33 O ATOM 1193 OE2 GLU A 76 13.339 -8.638 4.291 1.00 32.41 O ATOM 0 H GLU A 76 11.137 -5.748 1.585 1.00 54.21 H new ATOM 0 HA GLU A 76 12.336 -8.349 1.519 1.00 14.34 H new ATOM 0 HB2 GLU A 76 9.644 -7.232 2.387 1.00 24.02 H new ATOM 0 HB3 GLU A 76 9.954 -8.957 2.397 1.00 24.02 H new ATOM 0 HG2 GLU A 76 11.561 -6.876 3.948 1.00 22.21 H new ATOM 0 HG3 GLU A 76 10.313 -7.900 4.629 1.00 22.21 H new ATOM 1200 N ALA A 77 9.858 -7.686 -0.600 1.00 21.00 N ATOM 1201 CA ALA A 77 9.084 -8.139 -1.770 1.00 42.45 C ATOM 1202 C ALA A 77 9.991 -8.498 -2.963 1.00 34.31 C ATOM 1203 O ALA A 77 9.890 -9.593 -3.504 1.00 43.20 O ATOM 1204 CB ALA A 77 8.070 -7.051 -2.173 1.00 72.55 C ATOM 0 H ALA A 77 9.588 -6.758 -0.274 1.00 21.00 H new ATOM 0 HA ALA A 77 8.553 -9.048 -1.488 1.00 42.45 H new ATOM 0 HB1 ALA A 77 7.499 -7.388 -3.038 1.00 72.55 H new ATOM 0 HB2 ALA A 77 7.391 -6.861 -1.342 1.00 72.55 H new ATOM 0 HB3 ALA A 77 8.602 -6.133 -2.424 1.00 72.55 H new ATOM 1210 N TYR A 78 10.915 -7.576 -3.304 1.00 31.51 N ATOM 1211 CA TYR A 78 11.806 -7.688 -4.478 1.00 1.32 C ATOM 1212 C TYR A 78 12.740 -8.899 -4.390 1.00 51.50 C ATOM 1213 O TYR A 78 13.073 -9.501 -5.418 1.00 1.02 O ATOM 1214 CB TYR A 78 12.634 -6.386 -4.656 1.00 65.35 C ATOM 1215 CG TYR A 78 11.814 -5.162 -5.077 1.00 4.30 C ATOM 1216 CD1 TYR A 78 10.756 -5.287 -5.977 1.00 15.32 C ATOM 1217 CD2 TYR A 78 12.091 -3.889 -4.575 1.00 31.01 C ATOM 1218 CE1 TYR A 78 10.014 -4.200 -6.364 1.00 43.04 C ATOM 1219 CE2 TYR A 78 11.343 -2.792 -4.959 1.00 41.35 C ATOM 1220 CZ TYR A 78 10.306 -2.954 -5.852 1.00 74.14 C ATOM 1221 OH TYR A 78 9.546 -1.867 -6.223 1.00 41.41 O ATOM 0 H TYR A 78 11.065 -6.723 -2.766 1.00 31.51 H new ATOM 0 HA TYR A 78 11.168 -7.834 -5.349 1.00 1.32 H new ATOM 0 HB2 TYR A 78 13.141 -6.162 -3.717 1.00 65.35 H new ATOM 0 HB3 TYR A 78 13.408 -6.563 -5.402 1.00 65.35 H new ATOM 0 HD1 TYR A 78 10.516 -6.261 -6.378 1.00 15.32 H new ATOM 0 HD2 TYR A 78 12.903 -3.759 -3.875 1.00 31.01 H new ATOM 0 HE1 TYR A 78 9.204 -4.320 -7.068 1.00 43.04 H new ATOM 0 HE2 TYR A 78 11.570 -1.814 -4.562 1.00 41.35 H new ATOM 0 HH TYR A 78 9.882 -1.064 -5.773 1.00 41.41 H new ATOM 1231 N GLN A 79 13.166 -9.242 -3.160 1.00 53.11 N ATOM 1232 CA GLN A 79 13.980 -10.441 -2.925 1.00 33.22 C ATOM 1233 C GLN A 79 13.147 -11.690 -3.247 1.00 35.41 C ATOM 1234 O GLN A 79 13.589 -12.558 -3.996 1.00 75.12 O ATOM 1235 CB GLN A 79 14.474 -10.502 -1.457 1.00 3.05 C ATOM 1236 CG GLN A 79 15.345 -9.321 -1.016 1.00 62.42 C ATOM 1237 CD GLN A 79 15.805 -9.428 0.439 1.00 52.54 C ATOM 1238 OE1 GLN A 79 16.865 -9.986 0.734 1.00 22.34 O ATOM 1239 NE2 GLN A 79 14.998 -8.919 1.364 1.00 12.20 N ATOM 0 H GLN A 79 12.959 -8.705 -2.318 1.00 53.11 H new ATOM 0 HA GLN A 79 14.855 -10.400 -3.574 1.00 33.22 H new ATOM 0 HB2 GLN A 79 13.606 -10.559 -0.800 1.00 3.05 H new ATOM 0 HB3 GLN A 79 15.040 -11.423 -1.318 1.00 3.05 H new ATOM 0 HG2 GLN A 79 16.219 -9.260 -1.664 1.00 62.42 H new ATOM 0 HG3 GLN A 79 14.785 -8.395 -1.147 1.00 62.42 H new ATOM 0 HE21 GLN A 79 14.128 -8.464 1.087 1.00 12.20 H new ATOM 0 HE22 GLN A 79 15.248 -8.984 2.351 1.00 12.20 H new ATOM 1248 N LYS A 80 11.899 -11.718 -2.731 1.00 62.24 N ATOM 1249 CA LYS A 80 10.980 -12.872 -2.881 1.00 55.43 C ATOM 1250 C LYS A 80 10.512 -13.034 -4.343 1.00 43.40 C ATOM 1251 O LYS A 80 10.077 -14.114 -4.750 1.00 14.03 O ATOM 1252 CB LYS A 80 9.766 -12.723 -1.916 1.00 54.32 C ATOM 1253 CG LYS A 80 10.165 -12.477 -0.439 1.00 14.41 C ATOM 1254 CD LYS A 80 8.957 -12.367 0.526 1.00 40.24 C ATOM 1255 CE LYS A 80 9.321 -11.684 1.867 1.00 41.22 C ATOM 1256 NZ LYS A 80 10.472 -12.325 2.565 1.00 13.21 N ATOM 0 H LYS A 80 11.499 -10.944 -2.200 1.00 62.24 H new ATOM 0 HA LYS A 80 11.525 -13.778 -2.614 1.00 55.43 H new ATOM 0 HB2 LYS A 80 9.143 -11.896 -2.256 1.00 54.32 H new ATOM 0 HB3 LYS A 80 9.157 -13.625 -1.972 1.00 54.32 H new ATOM 0 HG2 LYS A 80 10.811 -13.290 -0.107 1.00 14.41 H new ATOM 0 HG3 LYS A 80 10.751 -11.560 -0.379 1.00 14.41 H new ATOM 0 HD2 LYS A 80 8.160 -11.803 0.041 1.00 40.24 H new ATOM 0 HD3 LYS A 80 8.565 -13.364 0.726 1.00 40.24 H new ATOM 0 HE2 LYS A 80 9.557 -10.636 1.680 1.00 41.22 H new ATOM 0 HE3 LYS A 80 8.451 -11.703 2.524 1.00 41.22 H new ATOM 0 HZ1 LYS A 80 10.837 -11.681 3.296 1.00 13.21 H new ATOM 0 HZ2 LYS A 80 10.158 -13.211 3.009 1.00 13.21 H new ATOM 0 HZ3 LYS A 80 11.225 -12.530 1.877 1.00 13.21 H new ATOM 1270 N VAL A 81 10.626 -11.943 -5.114 1.00 33.14 N ATOM 1271 CA VAL A 81 10.288 -11.893 -6.549 1.00 20.10 C ATOM 1272 C VAL A 81 11.446 -12.435 -7.416 1.00 51.14 C ATOM 1273 O VAL A 81 11.235 -13.305 -8.275 1.00 72.25 O ATOM 1274 CB VAL A 81 9.909 -10.407 -6.942 1.00 41.43 C ATOM 1275 CG1 VAL A 81 9.866 -10.155 -8.465 1.00 53.43 C ATOM 1276 CG2 VAL A 81 8.556 -10.032 -6.303 1.00 44.55 C ATOM 0 H VAL A 81 10.963 -11.051 -4.752 1.00 33.14 H new ATOM 0 HA VAL A 81 9.429 -12.537 -6.739 1.00 20.10 H new ATOM 0 HB VAL A 81 10.705 -9.771 -6.555 1.00 41.43 H new ATOM 0 HG11 VAL A 81 9.600 -9.115 -8.654 1.00 53.43 H new ATOM 0 HG12 VAL A 81 10.845 -10.363 -8.896 1.00 53.43 H new ATOM 0 HG13 VAL A 81 9.123 -10.809 -8.921 1.00 53.43 H new ATOM 0 HG21 VAL A 81 8.297 -9.009 -6.574 1.00 44.55 H new ATOM 0 HG22 VAL A 81 7.783 -10.710 -6.664 1.00 44.55 H new ATOM 0 HG23 VAL A 81 8.631 -10.112 -5.219 1.00 44.55 H new ATOM 1286 N GLU A 82 12.667 -11.946 -7.164 1.00 63.12 N ATOM 1287 CA GLU A 82 13.853 -12.251 -8.004 1.00 20.12 C ATOM 1288 C GLU A 82 14.540 -13.563 -7.587 1.00 41.54 C ATOM 1289 O GLU A 82 14.716 -14.465 -8.418 1.00 32.13 O ATOM 1290 CB GLU A 82 14.843 -11.057 -7.953 1.00 31.44 C ATOM 1291 CG GLU A 82 14.280 -9.769 -8.585 1.00 4.32 C ATOM 1292 CD GLU A 82 15.175 -8.537 -8.378 1.00 31.45 C ATOM 1293 OE1 GLU A 82 16.151 -8.358 -9.140 1.00 42.31 O ATOM 1294 OE2 GLU A 82 14.907 -7.744 -7.448 1.00 40.02 O ATOM 0 H GLU A 82 12.870 -11.329 -6.377 1.00 63.12 H new ATOM 0 HA GLU A 82 13.516 -12.395 -9.030 1.00 20.12 H new ATOM 0 HB2 GLU A 82 15.108 -10.858 -6.915 1.00 31.44 H new ATOM 0 HB3 GLU A 82 15.762 -11.334 -8.469 1.00 31.44 H new ATOM 0 HG2 GLU A 82 14.141 -9.930 -9.654 1.00 4.32 H new ATOM 0 HG3 GLU A 82 13.296 -9.567 -8.162 1.00 4.32 H new ATOM 1301 N GLY A 83 14.920 -13.669 -6.302 1.00 1.00 N ATOM 1302 CA GLY A 83 15.652 -14.838 -5.807 1.00 64.14 C ATOM 1303 C GLY A 83 15.562 -14.987 -4.296 1.00 42.31 C ATOM 1304 O GLY A 83 16.550 -14.757 -3.586 1.00 31.05 O ATOM 0 H GLY A 83 14.731 -12.960 -5.593 1.00 1.00 H new ATOM 0 HA2 GLY A 83 15.258 -15.737 -6.281 1.00 64.14 H new ATOM 0 HA3 GLY A 83 16.699 -14.757 -6.099 1.00 64.14 H new ATOM 1308 N SER A 84 14.355 -15.349 -3.812 1.00 12.20 N ATOM 1309 CA SER A 84 14.085 -15.677 -2.393 1.00 43.52 C ATOM 1310 C SER A 84 12.634 -16.195 -2.277 1.00 51.24 C ATOM 1311 O SER A 84 11.835 -15.709 -1.464 1.00 74.30 O ATOM 1312 CB SER A 84 14.340 -14.453 -1.452 1.00 51.23 C ATOM 1313 OG SER A 84 14.188 -14.789 -0.084 1.00 51.45 O ATOM 0 H SER A 84 13.527 -15.423 -4.404 1.00 12.20 H new ATOM 0 HA SER A 84 14.776 -16.454 -2.066 1.00 43.52 H new ATOM 0 HB2 SER A 84 15.347 -14.071 -1.621 1.00 51.23 H new ATOM 0 HB3 SER A 84 13.647 -13.651 -1.706 1.00 51.23 H new ATOM 0 HG SER A 84 13.360 -15.299 0.037 1.00 51.45 H new ATOM 1319 N GLY A 85 12.297 -17.181 -3.124 1.00 15.02 N ATOM 1320 CA GLY A 85 10.985 -17.833 -3.093 1.00 72.40 C ATOM 1321 C GLY A 85 10.920 -18.896 -2.008 1.00 11.55 C ATOM 1322 O GLY A 85 11.051 -20.095 -2.295 1.00 43.44 O ATOM 0 H GLY A 85 12.923 -17.544 -3.843 1.00 15.02 H new ATOM 0 HA2 GLY A 85 10.210 -17.086 -2.920 1.00 72.40 H new ATOM 0 HA3 GLY A 85 10.780 -18.287 -4.062 1.00 72.40 H new ATOM 1326 N ASP A 86 10.750 -18.441 -0.753 1.00 10.02 N ATOM 1327 CA ASP A 86 10.742 -19.310 0.437 1.00 42.33 C ATOM 1328 C ASP A 86 9.489 -20.202 0.461 1.00 42.21 C ATOM 1329 O ASP A 86 8.352 -19.705 0.408 1.00 33.31 O ATOM 1330 CB ASP A 86 10.836 -18.465 1.731 1.00 30.13 C ATOM 1331 CG ASP A 86 12.157 -17.678 1.830 1.00 54.02 C ATOM 1332 OD1 ASP A 86 12.225 -16.539 1.321 1.00 40.32 O ATOM 1333 OD2 ASP A 86 13.138 -18.194 2.410 1.00 71.34 O ATOM 0 H ASP A 86 10.614 -17.454 -0.535 1.00 10.02 H new ATOM 0 HA ASP A 86 11.616 -19.959 0.386 1.00 42.33 H new ATOM 0 HB2 ASP A 86 9.999 -17.768 1.767 1.00 30.13 H new ATOM 0 HB3 ASP A 86 10.742 -19.121 2.596 1.00 30.13 H new ATOM 1338 N LYS A 87 9.725 -21.523 0.544 1.00 1.44 N ATOM 1339 CA LYS A 87 8.671 -22.552 0.495 1.00 64.35 C ATOM 1340 C LYS A 87 7.927 -22.624 1.838 1.00 70.42 C ATOM 1341 O LYS A 87 8.487 -22.293 2.890 1.00 4.35 O ATOM 1342 CB LYS A 87 9.287 -23.940 0.131 1.00 62.22 C ATOM 1343 CG LYS A 87 10.192 -23.939 -1.124 1.00 14.45 C ATOM 1344 CD LYS A 87 9.507 -23.321 -2.368 1.00 44.42 C ATOM 1345 CE LYS A 87 10.420 -23.316 -3.600 1.00 54.22 C ATOM 1346 NZ LYS A 87 9.798 -22.614 -4.755 1.00 35.40 N ATOM 0 H LYS A 87 10.663 -21.911 0.648 1.00 1.44 H new ATOM 0 HA LYS A 87 7.953 -22.279 -0.278 1.00 64.35 H new ATOM 0 HB2 LYS A 87 9.868 -24.298 0.981 1.00 62.22 H new ATOM 0 HB3 LYS A 87 8.477 -24.652 -0.023 1.00 62.22 H new ATOM 0 HG2 LYS A 87 11.104 -23.384 -0.906 1.00 14.45 H new ATOM 0 HG3 LYS A 87 10.489 -24.963 -1.351 1.00 14.45 H new ATOM 0 HD2 LYS A 87 8.600 -23.881 -2.595 1.00 44.42 H new ATOM 0 HD3 LYS A 87 9.203 -22.299 -2.141 1.00 44.42 H new ATOM 0 HE2 LYS A 87 11.364 -22.833 -3.349 1.00 54.22 H new ATOM 0 HE3 LYS A 87 10.652 -24.343 -3.883 1.00 54.22 H new ATOM 0 HZ1 LYS A 87 10.449 -22.635 -5.566 1.00 35.40 H new ATOM 0 HZ2 LYS A 87 8.910 -23.089 -5.013 1.00 35.40 H new ATOM 0 HZ3 LYS A 87 9.600 -21.627 -4.495 1.00 35.40 H new ATOM 1360 N GLY A 88 6.654 -23.040 1.786 1.00 10.52 N ATOM 1361 CA GLY A 88 5.808 -23.127 2.974 1.00 52.53 C ATOM 1362 C GLY A 88 4.929 -21.890 3.158 1.00 22.11 C ATOM 1363 O GLY A 88 3.754 -22.018 3.526 1.00 11.24 O ATOM 0 H GLY A 88 6.189 -23.323 0.923 1.00 10.52 H new ATOM 0 HA2 GLY A 88 5.175 -24.011 2.901 1.00 52.53 H new ATOM 0 HA3 GLY A 88 6.437 -23.257 3.855 1.00 52.53 H new ATOM 1367 N LYS A 89 5.511 -20.684 2.893 1.00 15.32 N ATOM 1368 CA LYS A 89 4.839 -19.365 3.071 1.00 44.31 C ATOM 1369 C LYS A 89 4.504 -19.093 4.557 1.00 55.12 C ATOM 1370 O LYS A 89 4.849 -19.886 5.442 1.00 21.13 O ATOM 1371 CB LYS A 89 3.553 -19.238 2.189 1.00 65.04 C ATOM 1372 CG LYS A 89 3.786 -19.271 0.657 1.00 72.44 C ATOM 1373 CD LYS A 89 2.453 -19.329 -0.141 1.00 15.40 C ATOM 1374 CE LYS A 89 1.493 -18.170 0.193 1.00 10.51 C ATOM 1375 NZ LYS A 89 0.169 -18.328 -0.470 1.00 72.42 N ATOM 0 H LYS A 89 6.467 -20.602 2.547 1.00 15.32 H new ATOM 0 HA LYS A 89 5.548 -18.608 2.737 1.00 44.31 H new ATOM 0 HB2 LYS A 89 2.872 -20.047 2.452 1.00 65.04 H new ATOM 0 HB3 LYS A 89 3.051 -18.304 2.442 1.00 65.04 H new ATOM 0 HG2 LYS A 89 4.348 -18.386 0.358 1.00 72.44 H new ATOM 0 HG3 LYS A 89 4.397 -20.137 0.403 1.00 72.44 H new ATOM 0 HD2 LYS A 89 2.675 -19.312 -1.208 1.00 15.40 H new ATOM 0 HD3 LYS A 89 1.954 -20.276 0.066 1.00 15.40 H new ATOM 0 HE2 LYS A 89 1.353 -18.116 1.273 1.00 10.51 H new ATOM 0 HE3 LYS A 89 1.943 -17.227 -0.117 1.00 10.51 H new ATOM 0 HZ1 LYS A 89 -0.586 -18.058 0.193 1.00 72.42 H new ATOM 0 HZ2 LYS A 89 0.126 -17.717 -1.310 1.00 72.42 H new ATOM 0 HZ3 LYS A 89 0.040 -19.319 -0.756 1.00 72.42 H new ATOM 1389 N ILE A 90 3.856 -17.941 4.824 1.00 24.34 N ATOM 1390 CA ILE A 90 3.418 -17.559 6.178 1.00 62.25 C ATOM 1391 C ILE A 90 1.914 -17.215 6.172 1.00 70.20 C ATOM 1392 O ILE A 90 1.461 -16.328 5.436 1.00 12.45 O ATOM 1393 CB ILE A 90 4.275 -16.360 6.767 1.00 72.43 C ATOM 1394 CG1 ILE A 90 4.308 -15.139 5.783 1.00 73.10 C ATOM 1395 CG2 ILE A 90 5.710 -16.825 7.129 1.00 14.24 C ATOM 1396 CD1 ILE A 90 5.108 -13.938 6.272 1.00 73.55 C ATOM 0 H ILE A 90 3.623 -17.253 4.108 1.00 24.34 H new ATOM 0 HA ILE A 90 3.582 -18.414 6.834 1.00 62.25 H new ATOM 0 HB ILE A 90 3.788 -16.028 7.684 1.00 72.43 H new ATOM 0 HG12 ILE A 90 4.724 -15.470 4.831 1.00 73.10 H new ATOM 0 HG13 ILE A 90 3.284 -14.820 5.590 1.00 73.10 H new ATOM 0 HG21 ILE A 90 6.275 -15.983 7.530 1.00 14.24 H new ATOM 0 HG22 ILE A 90 5.658 -17.617 7.877 1.00 14.24 H new ATOM 0 HG23 ILE A 90 6.207 -17.202 6.235 1.00 14.24 H new ATOM 0 HD11 ILE A 90 5.071 -13.147 5.523 1.00 73.55 H new ATOM 0 HD12 ILE A 90 4.682 -13.573 7.207 1.00 73.55 H new ATOM 0 HD13 ILE A 90 6.144 -14.234 6.436 1.00 73.55 H new ATOM 1408 N PHE A 91 1.142 -17.982 6.950 1.00 50.12 N ATOM 1409 CA PHE A 91 -0.275 -17.699 7.227 1.00 61.14 C ATOM 1410 C PHE A 91 -0.368 -16.573 8.279 1.00 14.13 C ATOM 1411 O PHE A 91 -1.346 -15.810 8.305 1.00 11.22 O ATOM 1412 CB PHE A 91 -0.957 -18.994 7.736 1.00 35.10 C ATOM 1413 CG PHE A 91 -2.465 -18.887 7.945 1.00 61.32 C ATOM 1414 CD1 PHE A 91 -3.336 -18.965 6.861 1.00 22.45 C ATOM 1415 CD2 PHE A 91 -3.013 -18.715 9.220 1.00 14.55 C ATOM 1416 CE1 PHE A 91 -4.700 -18.869 7.041 1.00 42.00 C ATOM 1417 CE2 PHE A 91 -4.378 -18.621 9.398 1.00 40.32 C ATOM 1418 CZ PHE A 91 -5.221 -18.701 8.310 1.00 73.44 C ATOM 0 H PHE A 91 1.485 -18.825 7.410 1.00 50.12 H new ATOM 0 HA PHE A 91 -0.785 -17.370 6.322 1.00 61.14 H new ATOM 0 HB2 PHE A 91 -0.760 -19.795 7.024 1.00 35.10 H new ATOM 0 HB3 PHE A 91 -0.494 -19.285 8.679 1.00 35.10 H new ATOM 0 HD1 PHE A 91 -2.938 -19.102 5.866 1.00 22.45 H new ATOM 0 HD2 PHE A 91 -2.359 -18.655 10.077 1.00 14.55 H new ATOM 0 HE1 PHE A 91 -5.362 -18.925 6.189 1.00 42.00 H new ATOM 0 HE2 PHE A 91 -4.786 -18.485 10.389 1.00 40.32 H new ATOM 0 HZ PHE A 91 -6.290 -18.632 8.450 1.00 73.44 H new ATOM 1428 N GLN A 92 0.691 -16.500 9.130 1.00 62.04 N ATOM 1429 CA GLN A 92 0.808 -15.584 10.284 1.00 42.14 C ATOM 1430 C GLN A 92 -0.189 -15.957 11.402 1.00 23.50 C ATOM 1431 O GLN A 92 -0.918 -16.961 11.291 1.00 21.22 O ATOM 1432 CB GLN A 92 0.686 -14.084 9.867 1.00 63.13 C ATOM 1433 CG GLN A 92 1.767 -13.601 8.882 1.00 12.31 C ATOM 1434 CD GLN A 92 1.608 -12.131 8.493 1.00 63.41 C ATOM 1435 OE1 GLN A 92 0.935 -11.801 7.523 1.00 43.12 O ATOM 1436 NE2 GLN A 92 2.205 -11.228 9.264 1.00 5.14 N ATOM 0 H GLN A 92 1.510 -17.099 9.023 1.00 62.04 H new ATOM 0 HA GLN A 92 1.812 -15.708 10.689 1.00 42.14 H new ATOM 0 HB2 GLN A 92 -0.294 -13.924 9.417 1.00 63.13 H new ATOM 0 HB3 GLN A 92 0.729 -13.467 10.764 1.00 63.13 H new ATOM 0 HG2 GLN A 92 2.750 -13.748 9.329 1.00 12.31 H new ATOM 0 HG3 GLN A 92 1.731 -14.215 7.982 1.00 12.31 H new ATOM 0 HE21 GLN A 92 2.760 -11.528 10.066 1.00 5.14 H new ATOM 0 HE22 GLN A 92 2.109 -10.234 9.054 1.00 5.14 H new ATOM 1445 N LYS A 93 -0.144 -15.180 12.513 1.00 4.04 N ATOM 1446 CA LYS A 93 -1.045 -15.340 13.683 1.00 14.54 C ATOM 1447 C LYS A 93 -0.776 -16.690 14.427 1.00 52.40 C ATOM 1448 O LYS A 93 -1.581 -17.148 15.247 1.00 23.21 O ATOM 1449 CB LYS A 93 -2.532 -15.185 13.223 1.00 12.10 C ATOM 1450 CG LYS A 93 -3.590 -15.073 14.351 1.00 31.53 C ATOM 1451 CD LYS A 93 -5.035 -15.069 13.800 1.00 13.54 C ATOM 1452 CE LYS A 93 -5.389 -16.363 13.041 1.00 32.34 C ATOM 1453 NZ LYS A 93 -6.748 -16.299 12.437 1.00 63.01 N ATOM 0 H LYS A 93 0.525 -14.418 12.623 1.00 4.04 H new ATOM 0 HA LYS A 93 -0.839 -14.554 14.409 1.00 14.54 H new ATOM 0 HB2 LYS A 93 -2.605 -14.297 12.595 1.00 12.10 H new ATOM 0 HB3 LYS A 93 -2.788 -16.040 12.597 1.00 12.10 H new ATOM 0 HG2 LYS A 93 -3.470 -15.906 15.043 1.00 31.53 H new ATOM 0 HG3 LYS A 93 -3.417 -14.159 14.919 1.00 31.53 H new ATOM 0 HD2 LYS A 93 -5.733 -14.935 14.626 1.00 13.54 H new ATOM 0 HD3 LYS A 93 -5.162 -14.216 13.134 1.00 13.54 H new ATOM 0 HE2 LYS A 93 -4.652 -16.537 12.258 1.00 32.34 H new ATOM 0 HE3 LYS A 93 -5.335 -17.211 13.724 1.00 32.34 H new ATOM 0 HZ1 LYS A 93 -6.947 -17.188 11.936 1.00 63.01 H new ATOM 0 HZ2 LYS A 93 -7.455 -16.158 13.187 1.00 63.01 H new ATOM 0 HZ3 LYS A 93 -6.793 -15.506 11.766 1.00 63.01 H new ATOM 1467 N GLU A 94 0.403 -17.282 14.164 1.00 44.13 N ATOM 1468 CA GLU A 94 0.834 -18.563 14.756 1.00 61.42 C ATOM 1469 C GLU A 94 1.188 -18.355 16.249 1.00 75.34 C ATOM 1470 O GLU A 94 2.249 -17.808 16.579 1.00 1.02 O ATOM 1471 CB GLU A 94 2.043 -19.111 13.944 1.00 5.14 C ATOM 1472 CG GLU A 94 2.560 -20.507 14.361 1.00 32.45 C ATOM 1473 CD GLU A 94 3.760 -20.976 13.514 1.00 22.32 C ATOM 1474 OE1 GLU A 94 3.579 -21.236 12.300 1.00 51.33 O ATOM 1475 OE2 GLU A 94 4.891 -21.087 14.045 1.00 61.14 O ATOM 0 H GLU A 94 1.091 -16.880 13.527 1.00 44.13 H new ATOM 0 HA GLU A 94 0.029 -19.297 14.710 1.00 61.42 H new ATOM 0 HB2 GLU A 94 1.762 -19.149 12.892 1.00 5.14 H new ATOM 0 HB3 GLU A 94 2.865 -18.400 14.029 1.00 5.14 H new ATOM 0 HG2 GLU A 94 2.849 -20.484 15.412 1.00 32.45 H new ATOM 0 HG3 GLU A 94 1.751 -21.232 14.269 1.00 32.45 H new ATOM 1482 N GLY A 95 0.258 -18.755 17.134 1.00 44.15 N ATOM 1483 CA GLY A 95 0.385 -18.554 18.581 1.00 21.31 C ATOM 1484 C GLY A 95 -0.199 -19.721 19.361 1.00 51.22 C ATOM 1485 O GLY A 95 -1.265 -20.241 19.002 1.00 63.01 O ATOM 0 H GLY A 95 -0.604 -19.228 16.861 1.00 44.15 H new ATOM 0 HA2 GLY A 95 1.436 -18.431 18.841 1.00 21.31 H new ATOM 0 HA3 GLY A 95 -0.124 -17.633 18.867 1.00 21.31 H new ATOM 1489 N GLU A 96 0.507 -20.132 20.430 1.00 44.24 N ATOM 1490 CA GLU A 96 0.144 -21.295 21.251 1.00 35.01 C ATOM 1491 C GLU A 96 -1.054 -20.973 22.168 1.00 64.22 C ATOM 1492 O GLU A 96 -0.960 -20.077 23.023 1.00 73.22 O ATOM 1493 CB GLU A 96 1.360 -21.755 22.093 1.00 65.13 C ATOM 1494 CG GLU A 96 1.098 -23.001 22.965 1.00 14.35 C ATOM 1495 CD GLU A 96 2.357 -23.514 23.678 1.00 75.23 C ATOM 1496 OE1 GLU A 96 2.695 -22.995 24.762 1.00 31.25 O ATOM 1497 OE2 GLU A 96 3.026 -24.429 23.144 1.00 14.02 O ATOM 0 H GLU A 96 1.353 -19.660 20.749 1.00 44.24 H new ATOM 0 HA GLU A 96 -0.150 -22.105 20.584 1.00 35.01 H new ATOM 0 HB2 GLU A 96 2.193 -21.965 21.422 1.00 65.13 H new ATOM 0 HB3 GLU A 96 1.671 -20.934 22.739 1.00 65.13 H new ATOM 0 HG2 GLU A 96 0.338 -22.763 23.709 1.00 14.35 H new ATOM 0 HG3 GLU A 96 0.693 -23.796 22.339 1.00 14.35 H new ATOM 1504 N SER A 97 -2.166 -21.700 21.947 1.00 61.40 N ATOM 1505 CA SER A 97 -3.389 -21.637 22.776 1.00 42.32 C ATOM 1506 C SER A 97 -4.129 -20.284 22.610 1.00 3.24 C ATOM 1507 O SER A 97 -3.957 -19.354 23.412 1.00 1.01 O ATOM 1508 CB SER A 97 -3.083 -21.961 24.265 1.00 54.00 C ATOM 1509 OG SER A 97 -2.406 -23.207 24.387 1.00 52.25 O ATOM 0 H SER A 97 -2.243 -22.360 21.173 1.00 61.40 H new ATOM 0 HA SER A 97 -4.069 -22.409 22.415 1.00 42.32 H new ATOM 0 HB2 SER A 97 -2.472 -21.167 24.695 1.00 54.00 H new ATOM 0 HB3 SER A 97 -4.013 -21.991 24.833 1.00 54.00 H new ATOM 0 HG SER A 97 -2.223 -23.388 25.332 1.00 52.25 H new ATOM 1515 N ILE A 98 -4.907 -20.177 21.514 1.00 44.53 N ATOM 1516 CA ILE A 98 -5.777 -19.013 21.243 1.00 53.21 C ATOM 1517 C ILE A 98 -7.201 -19.282 21.779 1.00 73.24 C ATOM 1518 O ILE A 98 -7.602 -20.446 21.917 1.00 44.15 O ATOM 1519 CB ILE A 98 -5.817 -18.651 19.705 1.00 41.43 C ATOM 1520 CG1 ILE A 98 -6.340 -19.853 18.846 1.00 12.33 C ATOM 1521 CG2 ILE A 98 -4.424 -18.183 19.218 1.00 70.35 C ATOM 1522 CD1 ILE A 98 -6.469 -19.567 17.354 1.00 34.50 C ATOM 0 H ILE A 98 -4.950 -20.895 20.791 1.00 44.53 H new ATOM 0 HA ILE A 98 -5.356 -18.153 21.763 1.00 53.21 H new ATOM 0 HB ILE A 98 -6.519 -17.828 19.574 1.00 41.43 H new ATOM 0 HG12 ILE A 98 -5.666 -20.699 18.982 1.00 12.33 H new ATOM 0 HG13 ILE A 98 -7.314 -20.157 19.228 1.00 12.33 H new ATOM 0 HG21 ILE A 98 -4.473 -17.939 18.157 1.00 70.35 H new ATOM 0 HG22 ILE A 98 -4.120 -17.300 19.780 1.00 70.35 H new ATOM 0 HG23 ILE A 98 -3.697 -18.980 19.374 1.00 70.35 H new ATOM 0 HD11 ILE A 98 -6.837 -20.457 16.843 1.00 34.50 H new ATOM 0 HD12 ILE A 98 -7.168 -18.745 17.200 1.00 34.50 H new ATOM 0 HD13 ILE A 98 -5.494 -19.295 16.950 1.00 34.50 H new ATOM 1534 N LEU A 99 -7.942 -18.193 22.076 1.00 61.23 N ATOM 1535 CA LEU A 99 -9.307 -18.234 22.664 1.00 25.44 C ATOM 1536 C LEU A 99 -9.287 -18.882 24.068 1.00 62.30 C ATOM 1537 O LEU A 99 -9.482 -20.091 24.212 1.00 41.24 O ATOM 1538 CB LEU A 99 -10.364 -18.923 21.729 1.00 41.33 C ATOM 1539 CG LEU A 99 -10.851 -18.100 20.489 1.00 1.02 C ATOM 1540 CD1 LEU A 99 -9.729 -17.852 19.467 1.00 73.44 C ATOM 1541 CD2 LEU A 99 -12.075 -18.768 19.828 1.00 51.00 C ATOM 0 H LEU A 99 -7.607 -17.243 21.913 1.00 61.23 H new ATOM 0 HA LEU A 99 -9.629 -17.198 22.768 1.00 25.44 H new ATOM 0 HB2 LEU A 99 -9.940 -19.861 21.369 1.00 41.33 H new ATOM 0 HB3 LEU A 99 -11.236 -19.178 22.332 1.00 41.33 H new ATOM 0 HG LEU A 99 -11.155 -17.121 20.859 1.00 1.02 H new ATOM 0 HD11 LEU A 99 -10.122 -17.277 18.628 1.00 73.44 H new ATOM 0 HD12 LEU A 99 -8.921 -17.295 19.942 1.00 73.44 H new ATOM 0 HD13 LEU A 99 -9.348 -18.807 19.106 1.00 73.44 H new ATOM 0 HD21 LEU A 99 -12.393 -18.176 18.970 1.00 51.00 H new ATOM 0 HD22 LEU A 99 -11.808 -19.772 19.498 1.00 51.00 H new ATOM 0 HD23 LEU A 99 -12.890 -18.828 20.549 1.00 51.00 H new ATOM 1553 N GLU A 100 -9.007 -18.063 25.089 1.00 34.22 N ATOM 1554 CA GLU A 100 -8.961 -18.493 26.504 1.00 74.45 C ATOM 1555 C GLU A 100 -9.774 -17.519 27.404 1.00 11.12 C ATOM 1556 O GLU A 100 -9.419 -17.336 28.594 1.00 5.13 O ATOM 1557 CB GLU A 100 -7.463 -18.648 26.953 1.00 35.44 C ATOM 1558 CG GLU A 100 -6.461 -17.601 26.385 1.00 50.52 C ATOM 1559 CD GLU A 100 -6.722 -16.144 26.825 1.00 43.03 C ATOM 1560 OE1 GLU A 100 -7.509 -15.431 26.158 1.00 34.24 O ATOM 1561 OE2 GLU A 100 -6.153 -15.703 27.843 1.00 74.52 O ATOM 1562 OXT GLU A 100 -10.769 -16.937 26.915 1.00 37.44 O ATOM 0 H GLU A 100 -8.803 -17.072 24.961 1.00 34.22 H new ATOM 0 HA GLU A 100 -9.437 -19.468 26.614 1.00 74.45 H new ATOM 0 HB2 GLU A 100 -7.426 -18.602 28.041 1.00 35.44 H new ATOM 0 HB3 GLU A 100 -7.120 -19.642 26.664 1.00 35.44 H new ATOM 0 HG2 GLU A 100 -5.453 -17.882 26.690 1.00 50.52 H new ATOM 0 HG3 GLU A 100 -6.489 -17.647 25.296 1.00 50.52 H new TER 1569 GLU A 100