USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 833 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 80 ASN : amide:sc= -1.88 K(o=-2.9,f=-9.8!) USER MOD Set 1.2: A 83 MET CE :methyl 169:sc= -0.985 (180deg=-1.3) USER MOD Set 2.1: A 58 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 63 LYS NZ :NH3+ -152:sc= -0.105 (180deg=-1.07) USER MOD Set 3.1: A 49 ASN : amide:sc= -2.37! C(o=-1.8!,f=-10!) USER MOD Set 3.2: A 50 SER OG : rot 85:sc= 0.528 USER MOD Single : A 1 GLY N :NH3+ -108:sc= 0.0514 (180deg=0) USER MOD Single : A 2 SER OG : rot -56:sc= 0.145 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 CYS SG : rot 15:sc= 0.0119 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.0798 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.0095) USER MOD Single : A 18 SER OG : rot 38:sc= 0.341 USER MOD Single : A 20 HIS : no HD1:sc= -0.0494 X(o=-0.049,f=0) USER MOD Single : A 23 LYS NZ :NH3+ -179:sc= -1.29 (180deg=-1.3) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 167:sc= 0.101 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 148:sc= 0.405 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot -133:sc= 1.01 USER MOD Single : A 52 LYS NZ :NH3+ -113:sc= 0 (180deg=-0.028) USER MOD Single : A 54 THR OG1 : rot 61:sc= 0.112 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= -0.877 X(o=-0.88,f=-0.84) USER MOD Single : A 73 ASN : amide:sc= -0.299 K(o=-0.3,f=-2.2!) USER MOD Single : A 81 SER OG : rot 180:sc=-0.00139 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= 1.04 K(o=1,f=-0.16) USER MOD Single : A 92 SER OG : rot 13:sc= 0.639! USER MOD Single : A 99 THR OG1 : rot 180:sc= -0.225 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 13:sc= 0.56! USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -31.846 -7.555 -29.977 1.00 0.00 N ATOM 2 CA GLY A 1 -31.221 -8.100 -28.786 1.00 0.00 C ATOM 3 C GLY A 1 -31.539 -7.293 -27.543 1.00 0.00 C ATOM 4 O GLY A 1 -31.922 -6.127 -27.633 1.00 0.00 O ATOM 0 H1 GLY A 1 -32.624 -8.176 -30.276 1.00 0.00 H new ATOM 0 H2 GLY A 1 -32.220 -6.607 -29.770 1.00 0.00 H new ATOM 0 H3 GLY A 1 -31.142 -7.491 -30.740 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -31.554 -9.128 -28.643 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -30.141 -8.132 -28.928 1.00 0.00 H new ATOM 8 N SER A 2 -31.383 -7.916 -26.379 1.00 0.00 N ATOM 9 CA SER A 2 -31.662 -7.250 -25.112 1.00 0.00 C ATOM 10 C SER A 2 -33.149 -6.934 -24.980 1.00 0.00 C ATOM 11 O SER A 2 -33.528 -5.844 -24.554 1.00 0.00 O ATOM 12 CB SER A 2 -30.844 -5.962 -24.997 1.00 0.00 C ATOM 13 OG SER A 2 -30.839 -5.478 -23.666 1.00 0.00 O ATOM 0 H SER A 2 -31.065 -8.881 -26.287 1.00 0.00 H new ATOM 0 HA SER A 2 -31.378 -7.926 -24.305 1.00 0.00 H new ATOM 0 HB2 SER A 2 -29.821 -6.147 -25.324 1.00 0.00 H new ATOM 0 HB3 SER A 2 -31.259 -5.204 -25.661 1.00 0.00 H new ATOM 0 HG SER A 2 -31.761 -5.346 -23.362 1.00 0.00 H new ATOM 19 N SER A 3 -33.987 -7.898 -25.350 1.00 0.00 N ATOM 20 CA SER A 3 -35.433 -7.723 -25.278 1.00 0.00 C ATOM 21 C SER A 3 -36.074 -8.837 -24.456 1.00 0.00 C ATOM 22 O SER A 3 -35.495 -9.908 -24.283 1.00 0.00 O ATOM 23 CB SER A 3 -36.036 -7.698 -26.683 1.00 0.00 C ATOM 24 OG SER A 3 -37.284 -7.027 -26.691 1.00 0.00 O ATOM 0 H SER A 3 -33.689 -8.808 -25.702 1.00 0.00 H new ATOM 0 HA SER A 3 -35.635 -6.771 -24.788 1.00 0.00 H new ATOM 0 HB2 SER A 3 -35.349 -7.202 -27.368 1.00 0.00 H new ATOM 0 HB3 SER A 3 -36.166 -8.718 -27.045 1.00 0.00 H new ATOM 0 HG SER A 3 -37.648 -7.023 -27.601 1.00 0.00 H new ATOM 30 N GLY A 4 -37.276 -8.575 -23.952 1.00 0.00 N ATOM 31 CA GLY A 4 -37.978 -9.564 -23.154 1.00 0.00 C ATOM 32 C GLY A 4 -37.563 -9.533 -21.697 1.00 0.00 C ATOM 33 O GLY A 4 -38.219 -8.899 -20.871 1.00 0.00 O ATOM 0 H GLY A 4 -37.776 -7.696 -24.082 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -39.052 -9.390 -23.227 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -37.788 -10.557 -23.562 1.00 0.00 H new ATOM 37 N SER A 5 -36.471 -10.222 -21.379 1.00 0.00 N ATOM 38 CA SER A 5 -35.973 -10.276 -20.010 1.00 0.00 C ATOM 39 C SER A 5 -35.380 -8.933 -19.594 1.00 0.00 C ATOM 40 O SER A 5 -34.663 -8.294 -20.364 1.00 0.00 O ATOM 41 CB SER A 5 -34.920 -11.377 -19.871 1.00 0.00 C ATOM 42 OG SER A 5 -33.830 -11.153 -20.748 1.00 0.00 O ATOM 0 H SER A 5 -35.915 -10.750 -22.051 1.00 0.00 H new ATOM 0 HA SER A 5 -36.813 -10.502 -19.353 1.00 0.00 H new ATOM 0 HB2 SER A 5 -34.562 -11.414 -18.842 1.00 0.00 H new ATOM 0 HB3 SER A 5 -35.371 -12.346 -20.086 1.00 0.00 H new ATOM 0 HG SER A 5 -33.170 -11.869 -20.639 1.00 0.00 H new ATOM 48 N SER A 6 -35.684 -8.512 -18.371 1.00 0.00 N ATOM 49 CA SER A 6 -35.185 -7.244 -17.853 1.00 0.00 C ATOM 50 C SER A 6 -34.576 -7.425 -16.466 1.00 0.00 C ATOM 51 O SER A 6 -34.705 -8.484 -15.852 1.00 0.00 O ATOM 52 CB SER A 6 -36.313 -6.212 -17.796 1.00 0.00 C ATOM 53 OG SER A 6 -36.463 -5.550 -19.039 1.00 0.00 O ATOM 0 H SER A 6 -36.274 -9.031 -17.720 1.00 0.00 H new ATOM 0 HA SER A 6 -34.408 -6.885 -18.528 1.00 0.00 H new ATOM 0 HB2 SER A 6 -37.248 -6.705 -17.528 1.00 0.00 H new ATOM 0 HB3 SER A 6 -36.102 -5.482 -17.015 1.00 0.00 H new ATOM 0 HG SER A 6 -37.191 -4.897 -18.976 1.00 0.00 H new ATOM 59 N GLY A 7 -33.910 -6.383 -15.977 1.00 0.00 N ATOM 60 CA GLY A 7 -33.290 -6.446 -14.667 1.00 0.00 C ATOM 61 C GLY A 7 -32.108 -5.507 -14.538 1.00 0.00 C ATOM 62 O GLY A 7 -32.264 -4.355 -14.134 1.00 0.00 O ATOM 0 H GLY A 7 -33.789 -5.496 -16.466 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -34.030 -6.199 -13.906 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -32.961 -7.467 -14.473 1.00 0.00 H new ATOM 66 N GLU A 8 -30.922 -6.000 -14.882 1.00 0.00 N ATOM 67 CA GLU A 8 -29.708 -5.195 -14.801 1.00 0.00 C ATOM 68 C GLU A 8 -29.846 -3.918 -15.624 1.00 0.00 C ATOM 69 O GLU A 8 -30.709 -3.819 -16.497 1.00 0.00 O ATOM 70 CB GLU A 8 -28.502 -6.001 -15.288 1.00 0.00 C ATOM 71 CG GLU A 8 -28.542 -6.320 -16.773 1.00 0.00 C ATOM 72 CD GLU A 8 -29.741 -7.165 -17.156 1.00 0.00 C ATOM 73 OE1 GLU A 8 -29.738 -8.375 -16.845 1.00 0.00 O ATOM 74 OE2 GLU A 8 -30.682 -6.617 -17.766 1.00 0.00 O ATOM 0 H GLU A 8 -30.776 -6.952 -15.219 1.00 0.00 H new ATOM 0 HA GLU A 8 -29.554 -4.919 -13.758 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -27.591 -5.444 -15.069 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -28.448 -6.933 -14.726 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -28.562 -5.389 -17.340 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -27.628 -6.844 -17.053 1.00 0.00 H new ATOM 81 N ILE A 9 -28.990 -2.942 -15.338 1.00 0.00 N ATOM 82 CA ILE A 9 -29.016 -1.671 -16.051 1.00 0.00 C ATOM 83 C ILE A 9 -27.654 -1.355 -16.660 1.00 0.00 C ATOM 84 O ILE A 9 -27.250 -0.195 -16.732 1.00 0.00 O ATOM 85 CB ILE A 9 -29.433 -0.514 -15.125 1.00 0.00 C ATOM 86 CG1 ILE A 9 -28.478 -0.415 -13.934 1.00 0.00 C ATOM 87 CG2 ILE A 9 -30.865 -0.707 -14.648 1.00 0.00 C ATOM 88 CD1 ILE A 9 -28.536 0.917 -13.221 1.00 0.00 C ATOM 0 H ILE A 9 -28.271 -3.007 -14.618 1.00 0.00 H new ATOM 0 HA ILE A 9 -29.753 -1.771 -16.847 1.00 0.00 H new ATOM 0 HB ILE A 9 -29.380 0.418 -15.687 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -28.712 -1.208 -13.224 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -27.459 -0.588 -14.281 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -31.145 0.119 -13.994 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -31.535 -0.733 -15.508 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -30.942 -1.646 -14.100 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -27.833 0.915 -12.388 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -28.272 1.714 -13.916 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -29.545 1.084 -12.844 1.00 0.00 H new ATOM 100 N GLU A 10 -26.951 -2.395 -17.097 1.00 0.00 N ATOM 101 CA GLU A 10 -25.634 -2.227 -17.700 1.00 0.00 C ATOM 102 C GLU A 10 -25.326 -3.371 -18.662 1.00 0.00 C ATOM 103 O GLU A 10 -26.022 -4.387 -18.677 1.00 0.00 O ATOM 104 CB GLU A 10 -24.557 -2.154 -16.616 1.00 0.00 C ATOM 105 CG GLU A 10 -24.523 -3.373 -15.709 1.00 0.00 C ATOM 106 CD GLU A 10 -24.367 -4.670 -16.481 1.00 0.00 C ATOM 107 OE1 GLU A 10 -23.260 -4.920 -17.003 1.00 0.00 O ATOM 108 OE2 GLU A 10 -25.351 -5.434 -16.563 1.00 0.00 O ATOM 0 H GLU A 10 -27.271 -3.362 -17.045 1.00 0.00 H new ATOM 0 HA GLU A 10 -25.637 -1.293 -18.262 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -23.583 -2.038 -17.091 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -24.724 -1.264 -16.009 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -23.699 -3.273 -15.003 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -25.441 -3.411 -15.123 1.00 0.00 H new ATOM 115 N ILE A 11 -24.280 -3.198 -19.463 1.00 0.00 N ATOM 116 CA ILE A 11 -23.880 -4.215 -20.427 1.00 0.00 C ATOM 117 C ILE A 11 -22.779 -5.106 -19.861 1.00 0.00 C ATOM 118 O ILE A 11 -22.762 -6.314 -20.098 1.00 0.00 O ATOM 119 CB ILE A 11 -23.388 -3.582 -21.742 1.00 0.00 C ATOM 120 CG1 ILE A 11 -24.332 -2.459 -22.177 1.00 0.00 C ATOM 121 CG2 ILE A 11 -23.277 -4.640 -22.830 1.00 0.00 C ATOM 122 CD1 ILE A 11 -23.723 -1.519 -23.194 1.00 0.00 C ATOM 0 H ILE A 11 -23.694 -2.363 -19.463 1.00 0.00 H new ATOM 0 HA ILE A 11 -24.763 -4.819 -20.633 1.00 0.00 H new ATOM 0 HB ILE A 11 -22.399 -3.155 -21.575 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -25.237 -2.898 -22.596 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -24.632 -1.887 -21.299 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -22.928 -4.177 -23.753 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -22.569 -5.409 -22.519 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -24.254 -5.093 -22.998 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -24.448 -0.748 -23.457 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -22.834 -1.052 -22.771 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -23.448 -2.079 -24.088 1.00 0.00 H new ATOM 134 N CYS A 12 -21.863 -4.501 -19.113 1.00 0.00 N ATOM 135 CA CYS A 12 -20.758 -5.240 -18.512 1.00 0.00 C ATOM 136 C CYS A 12 -20.498 -4.764 -17.086 1.00 0.00 C ATOM 137 O CYS A 12 -20.819 -3.635 -16.714 1.00 0.00 O ATOM 138 CB CYS A 12 -19.492 -5.080 -19.355 1.00 0.00 C ATOM 139 SG CYS A 12 -19.457 -6.114 -20.838 1.00 0.00 S ATOM 0 H CYS A 12 -21.863 -3.502 -18.908 1.00 0.00 H new ATOM 0 HA CYS A 12 -21.033 -6.294 -18.479 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -19.395 -4.035 -19.651 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -18.625 -5.318 -18.738 1.00 0.00 H new ATOM 0 HG CYS A 12 -20.650 -6.571 -21.077 1.00 0.00 H new ATOM 145 N PRO A 13 -19.903 -5.644 -16.268 1.00 0.00 N ATOM 146 CA PRO A 13 -19.588 -5.337 -14.869 1.00 0.00 C ATOM 147 C PRO A 13 -18.467 -4.311 -14.740 1.00 0.00 C ATOM 148 O PRO A 13 -18.058 -3.695 -15.724 1.00 0.00 O ATOM 149 CB PRO A 13 -19.145 -6.687 -14.301 1.00 0.00 C ATOM 150 CG PRO A 13 -18.650 -7.451 -15.480 1.00 0.00 C ATOM 151 CD PRO A 13 -19.493 -7.007 -16.644 1.00 0.00 C ATOM 0 HA PRO A 13 -20.438 -4.898 -14.346 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -18.362 -6.564 -13.552 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -19.973 -7.203 -13.815 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -17.595 -7.247 -15.662 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -18.744 -8.525 -15.317 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -18.927 -7.014 -17.576 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -20.354 -7.660 -16.789 1.00 0.00 H new ATOM 159 N LYS A 14 -17.974 -4.131 -13.519 1.00 0.00 N ATOM 160 CA LYS A 14 -16.899 -3.181 -13.260 1.00 0.00 C ATOM 161 C LYS A 14 -15.728 -3.412 -14.210 1.00 0.00 C ATOM 162 O LYS A 14 -15.506 -4.529 -14.677 1.00 0.00 O ATOM 163 CB LYS A 14 -16.425 -3.299 -11.810 1.00 0.00 C ATOM 164 CG LYS A 14 -17.416 -2.750 -10.799 1.00 0.00 C ATOM 165 CD LYS A 14 -18.617 -3.667 -10.641 1.00 0.00 C ATOM 166 CE LYS A 14 -19.345 -3.412 -9.330 1.00 0.00 C ATOM 167 NZ LYS A 14 -20.384 -4.444 -9.062 1.00 0.00 N ATOM 0 H LYS A 14 -18.302 -4.631 -12.693 1.00 0.00 H new ATOM 0 HA LYS A 14 -17.287 -2.176 -13.428 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -16.232 -4.348 -11.584 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -15.478 -2.770 -11.702 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -16.923 -2.626 -9.835 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -17.751 -1.762 -11.116 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -19.303 -3.516 -11.475 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -18.290 -4.706 -10.681 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -18.625 -3.400 -8.511 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -19.811 -2.427 -9.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -20.857 -4.234 -8.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -21.085 -4.438 -9.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -19.937 -5.381 -9.009 1.00 0.00 H new ATOM 181 N VAL A 15 -14.981 -2.349 -14.491 1.00 0.00 N ATOM 182 CA VAL A 15 -13.831 -2.437 -15.382 1.00 0.00 C ATOM 183 C VAL A 15 -12.540 -2.088 -14.650 1.00 0.00 C ATOM 184 O VAL A 15 -12.478 -1.106 -13.910 1.00 0.00 O ATOM 185 CB VAL A 15 -13.989 -1.502 -16.596 1.00 0.00 C ATOM 186 CG1 VAL A 15 -15.092 -2.001 -17.515 1.00 0.00 C ATOM 187 CG2 VAL A 15 -14.268 -0.078 -16.138 1.00 0.00 C ATOM 0 H VAL A 15 -15.152 -1.417 -14.114 1.00 0.00 H new ATOM 0 HA VAL A 15 -13.779 -3.468 -15.731 1.00 0.00 H new ATOM 0 HB VAL A 15 -13.055 -1.503 -17.157 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -15.189 -1.328 -18.367 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -14.845 -3.002 -17.870 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -16.035 -2.032 -16.968 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -14.377 0.569 -17.008 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -15.188 -0.057 -15.553 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -13.440 0.276 -15.524 1.00 0.00 H new ATOM 197 N THR A 16 -11.508 -2.900 -14.862 1.00 0.00 N ATOM 198 CA THR A 16 -10.218 -2.678 -14.222 1.00 0.00 C ATOM 199 C THR A 16 -9.380 -1.674 -15.006 1.00 0.00 C ATOM 200 O THR A 16 -8.965 -1.945 -16.133 1.00 0.00 O ATOM 201 CB THR A 16 -9.426 -3.992 -14.084 1.00 0.00 C ATOM 202 OG1 THR A 16 -9.749 -4.875 -15.164 1.00 0.00 O ATOM 203 CG2 THR A 16 -9.733 -4.671 -12.757 1.00 0.00 C ATOM 0 H THR A 16 -11.541 -3.717 -15.472 1.00 0.00 H new ATOM 0 HA THR A 16 -10.423 -2.279 -13.229 1.00 0.00 H new ATOM 0 HB THR A 16 -8.363 -3.755 -14.116 1.00 0.00 H new ATOM 0 HG1 THR A 16 -9.240 -5.707 -15.070 1.00 0.00 H new ATOM 0 HG21 THR A 16 -9.163 -5.597 -12.681 1.00 0.00 H new ATOM 0 HG22 THR A 16 -9.458 -4.008 -11.937 1.00 0.00 H new ATOM 0 HG23 THR A 16 -10.798 -4.896 -12.701 1.00 0.00 H new ATOM 211 N GLN A 17 -9.135 -0.516 -14.403 1.00 0.00 N ATOM 212 CA GLN A 17 -8.346 0.529 -15.047 1.00 0.00 C ATOM 213 C GLN A 17 -6.917 0.536 -14.516 1.00 0.00 C ATOM 214 O GLN A 17 -6.693 0.492 -13.307 1.00 0.00 O ATOM 215 CB GLN A 17 -8.993 1.897 -14.822 1.00 0.00 C ATOM 216 CG GLN A 17 -8.891 2.390 -13.388 1.00 0.00 C ATOM 217 CD GLN A 17 -9.470 3.779 -13.206 1.00 0.00 C ATOM 218 OE1 GLN A 17 -8.821 4.780 -13.511 1.00 0.00 O ATOM 219 NE2 GLN A 17 -10.699 3.847 -12.707 1.00 0.00 N ATOM 0 H GLN A 17 -9.471 -0.277 -13.470 1.00 0.00 H new ATOM 0 HA GLN A 17 -8.316 0.321 -16.116 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -8.522 2.625 -15.482 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -10.044 1.843 -15.105 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -9.412 1.694 -12.731 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -7.845 2.394 -13.083 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -11.200 2.992 -12.468 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -11.141 4.755 -12.563 1.00 0.00 H new ATOM 228 N SER A 18 -5.952 0.590 -15.429 1.00 0.00 N ATOM 229 CA SER A 18 -4.543 0.599 -15.053 1.00 0.00 C ATOM 230 C SER A 18 -4.102 1.997 -14.631 1.00 0.00 C ATOM 231 O SER A 18 -4.126 2.934 -15.429 1.00 0.00 O ATOM 232 CB SER A 18 -3.680 0.109 -16.218 1.00 0.00 C ATOM 233 OG SER A 18 -3.945 0.851 -17.396 1.00 0.00 O ATOM 0 H SER A 18 -6.120 0.628 -16.434 1.00 0.00 H new ATOM 0 HA SER A 18 -4.414 -0.074 -14.206 1.00 0.00 H new ATOM 0 HB2 SER A 18 -2.626 0.199 -15.957 1.00 0.00 H new ATOM 0 HB3 SER A 18 -3.874 -0.948 -16.399 1.00 0.00 H new ATOM 0 HG SER A 18 -4.098 1.791 -17.163 1.00 0.00 H new ATOM 239 N ILE A 19 -3.700 2.128 -13.371 1.00 0.00 N ATOM 240 CA ILE A 19 -3.253 3.410 -12.842 1.00 0.00 C ATOM 241 C ILE A 19 -1.733 3.528 -12.898 1.00 0.00 C ATOM 242 O ILE A 19 -1.014 2.633 -12.453 1.00 0.00 O ATOM 243 CB ILE A 19 -3.719 3.613 -11.388 1.00 0.00 C ATOM 244 CG1 ILE A 19 -5.227 3.380 -11.276 1.00 0.00 C ATOM 245 CG2 ILE A 19 -3.356 5.009 -10.906 1.00 0.00 C ATOM 246 CD1 ILE A 19 -6.053 4.612 -11.576 1.00 0.00 C ATOM 0 H ILE A 19 -3.675 1.362 -12.698 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.699 4.182 -13.469 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.210 2.887 -10.754 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -5.515 2.583 -11.962 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -5.459 3.033 -10.269 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -3.692 5.137 -9.877 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.275 5.141 -10.954 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.841 5.751 -11.541 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -7.112 4.373 -11.477 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -5.793 5.404 -10.874 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.850 4.947 -12.593 1.00 0.00 H new ATOM 258 N HIS A 20 -1.251 4.638 -13.446 1.00 0.00 N ATOM 259 CA HIS A 20 0.184 4.875 -13.558 1.00 0.00 C ATOM 260 C HIS A 20 0.544 6.273 -13.065 1.00 0.00 C ATOM 261 O HIS A 20 0.241 7.270 -13.721 1.00 0.00 O ATOM 262 CB HIS A 20 0.639 4.700 -15.007 1.00 0.00 C ATOM 263 CG HIS A 20 2.088 4.342 -15.141 1.00 0.00 C ATOM 264 ND1 HIS A 20 2.580 3.570 -16.172 1.00 0.00 N ATOM 265 CD2 HIS A 20 3.152 4.656 -14.366 1.00 0.00 C ATOM 266 CE1 HIS A 20 3.885 3.424 -16.025 1.00 0.00 C ATOM 267 NE2 HIS A 20 4.257 4.074 -14.937 1.00 0.00 N ATOM 0 H HIS A 20 -1.833 5.388 -13.820 1.00 0.00 H new ATOM 0 HA HIS A 20 0.698 4.145 -12.933 1.00 0.00 H new ATOM 0 HB2 HIS A 20 0.036 3.923 -15.477 1.00 0.00 H new ATOM 0 HB3 HIS A 20 0.450 5.624 -15.553 1.00 0.00 H new ATOM 0 HD2 HIS A 20 3.135 5.253 -13.466 1.00 0.00 H new ATOM 0 HE1 HIS A 20 4.537 2.868 -16.683 1.00 0.00 H new ATOM 0 HE2 HIS A 20 5.210 4.134 -14.579 1.00 0.00 H new ATOM 276 N ILE A 21 1.191 6.338 -11.906 1.00 0.00 N ATOM 277 CA ILE A 21 1.592 7.613 -11.326 1.00 0.00 C ATOM 278 C ILE A 21 3.106 7.787 -11.373 1.00 0.00 C ATOM 279 O ILE A 21 3.855 6.815 -11.273 1.00 0.00 O ATOM 280 CB ILE A 21 1.117 7.742 -9.866 1.00 0.00 C ATOM 281 CG1 ILE A 21 -0.330 7.261 -9.734 1.00 0.00 C ATOM 282 CG2 ILE A 21 1.247 9.182 -9.392 1.00 0.00 C ATOM 283 CD1 ILE A 21 -0.744 6.977 -8.307 1.00 0.00 C ATOM 0 H ILE A 21 1.448 5.522 -11.350 1.00 0.00 H new ATOM 0 HA ILE A 21 1.120 8.393 -11.923 1.00 0.00 H new ATOM 0 HB ILE A 21 1.748 7.114 -9.237 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -0.995 8.016 -10.153 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -0.459 6.356 -10.328 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.908 9.257 -8.359 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.290 9.493 -9.455 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.637 9.829 -10.022 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -1.781 6.641 -8.289 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.103 6.200 -7.890 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.647 7.885 -7.712 1.00 0.00 H new ATOM 295 N GLU A 22 3.550 9.031 -11.523 1.00 0.00 N ATOM 296 CA GLU A 22 4.975 9.331 -11.582 1.00 0.00 C ATOM 297 C GLU A 22 5.266 10.707 -10.990 1.00 0.00 C ATOM 298 O GLU A 22 4.820 11.728 -11.512 1.00 0.00 O ATOM 299 CB GLU A 22 5.473 9.270 -13.028 1.00 0.00 C ATOM 300 CG GLU A 22 5.576 7.857 -13.577 1.00 0.00 C ATOM 301 CD GLU A 22 5.611 7.822 -15.093 1.00 0.00 C ATOM 302 OE1 GLU A 22 6.660 8.179 -15.669 1.00 0.00 O ATOM 303 OE2 GLU A 22 4.591 7.438 -15.702 1.00 0.00 O ATOM 0 H GLU A 22 2.943 9.847 -11.606 1.00 0.00 H new ATOM 0 HA GLU A 22 5.502 8.581 -10.992 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.799 9.848 -13.660 1.00 0.00 H new ATOM 0 HB3 GLU A 22 6.452 9.746 -13.087 1.00 0.00 H new ATOM 0 HG2 GLU A 22 6.476 7.384 -13.185 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.728 7.271 -13.223 1.00 0.00 H new ATOM 310 N LYS A 23 6.019 10.726 -9.894 1.00 0.00 N ATOM 311 CA LYS A 23 6.371 11.974 -9.229 1.00 0.00 C ATOM 312 C LYS A 23 7.668 12.545 -9.796 1.00 0.00 C ATOM 313 O LYS A 23 8.325 11.914 -10.623 1.00 0.00 O ATOM 314 CB LYS A 23 6.516 11.751 -7.722 1.00 0.00 C ATOM 315 CG LYS A 23 5.491 10.786 -7.150 1.00 0.00 C ATOM 316 CD LYS A 23 5.157 11.120 -5.706 1.00 0.00 C ATOM 317 CE LYS A 23 3.974 12.073 -5.614 1.00 0.00 C ATOM 318 NZ LYS A 23 4.354 13.466 -5.978 1.00 0.00 N ATOM 0 H LYS A 23 6.397 9.890 -9.448 1.00 0.00 H new ATOM 0 HA LYS A 23 5.569 12.690 -9.408 1.00 0.00 H new ATOM 0 HB2 LYS A 23 7.516 11.371 -7.514 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.426 12.709 -7.211 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.583 10.819 -7.752 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.875 9.768 -7.209 1.00 0.00 H new ATOM 0 HD2 LYS A 23 4.930 10.203 -5.162 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.026 11.569 -5.225 1.00 0.00 H new ATOM 0 HE2 LYS A 23 3.178 11.729 -6.275 1.00 0.00 H new ATOM 0 HE3 LYS A 23 3.574 12.059 -4.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 3.525 14.087 -5.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.107 13.798 -5.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 4.696 13.487 -6.960 1.00 0.00 H new ATOM 332 N SER A 24 8.030 13.741 -9.343 1.00 0.00 N ATOM 333 CA SER A 24 9.247 14.397 -9.806 1.00 0.00 C ATOM 334 C SER A 24 10.474 13.827 -9.102 1.00 0.00 C ATOM 335 O SER A 24 11.378 13.290 -9.742 1.00 0.00 O ATOM 336 CB SER A 24 9.162 15.906 -9.566 1.00 0.00 C ATOM 337 OG SER A 24 8.395 16.541 -10.574 1.00 0.00 O ATOM 0 H SER A 24 7.498 14.275 -8.656 1.00 0.00 H new ATOM 0 HA SER A 24 9.345 14.211 -10.876 1.00 0.00 H new ATOM 0 HB2 SER A 24 8.715 16.097 -8.590 1.00 0.00 H new ATOM 0 HB3 SER A 24 10.165 16.331 -9.546 1.00 0.00 H new ATOM 0 HG SER A 24 8.355 17.504 -10.397 1.00 0.00 H new ATOM 343 N ASP A 25 10.498 13.948 -7.779 1.00 0.00 N ATOM 344 CA ASP A 25 11.613 13.444 -6.985 1.00 0.00 C ATOM 345 C ASP A 25 11.124 12.469 -5.919 1.00 0.00 C ATOM 346 O ASP A 25 10.542 12.874 -4.911 1.00 0.00 O ATOM 347 CB ASP A 25 12.364 14.603 -6.328 1.00 0.00 C ATOM 348 CG ASP A 25 13.138 15.434 -7.332 1.00 0.00 C ATOM 349 OD1 ASP A 25 12.516 15.936 -8.292 1.00 0.00 O ATOM 350 OD2 ASP A 25 14.366 15.582 -7.159 1.00 0.00 O ATOM 0 H ASP A 25 9.758 14.391 -7.234 1.00 0.00 H new ATOM 0 HA ASP A 25 12.292 12.914 -7.653 1.00 0.00 H new ATOM 0 HB2 ASP A 25 11.653 15.241 -5.803 1.00 0.00 H new ATOM 0 HB3 ASP A 25 13.052 14.209 -5.580 1.00 0.00 H new ATOM 355 N THR A 26 11.362 11.181 -6.147 1.00 0.00 N ATOM 356 CA THR A 26 10.945 10.148 -5.207 1.00 0.00 C ATOM 357 C THR A 26 11.267 10.547 -3.772 1.00 0.00 C ATOM 358 O THR A 26 10.558 10.171 -2.839 1.00 0.00 O ATOM 359 CB THR A 26 11.621 8.800 -5.518 1.00 0.00 C ATOM 360 OG1 THR A 26 11.190 7.808 -4.579 1.00 0.00 O ATOM 361 CG2 THR A 26 13.136 8.930 -5.467 1.00 0.00 C ATOM 0 H THR A 26 11.842 10.828 -6.975 1.00 0.00 H new ATOM 0 HA THR A 26 9.866 10.038 -5.316 1.00 0.00 H new ATOM 0 HB THR A 26 11.332 8.497 -6.524 1.00 0.00 H new ATOM 0 HG1 THR A 26 11.453 6.919 -4.898 1.00 0.00 H new ATOM 0 HG21 THR A 26 13.592 7.965 -5.690 1.00 0.00 H new ATOM 0 HG22 THR A 26 13.463 9.665 -6.203 1.00 0.00 H new ATOM 0 HG23 THR A 26 13.440 9.254 -4.472 1.00 0.00 H new ATOM 369 N ALA A 27 12.341 11.312 -3.603 1.00 0.00 N ATOM 370 CA ALA A 27 12.756 11.764 -2.280 1.00 0.00 C ATOM 371 C ALA A 27 12.111 13.100 -1.930 1.00 0.00 C ATOM 372 O ALA A 27 11.548 13.264 -0.848 1.00 0.00 O ATOM 373 CB ALA A 27 14.272 11.873 -2.212 1.00 0.00 C ATOM 0 H ALA A 27 12.939 11.632 -4.365 1.00 0.00 H new ATOM 0 HA ALA A 27 12.423 11.027 -1.549 1.00 0.00 H new ATOM 0 HB1 ALA A 27 14.568 12.211 -1.219 1.00 0.00 H new ATOM 0 HB2 ALA A 27 14.716 10.898 -2.411 1.00 0.00 H new ATOM 0 HB3 ALA A 27 14.619 12.588 -2.958 1.00 0.00 H new ATOM 379 N ALA A 28 12.197 14.053 -2.852 1.00 0.00 N ATOM 380 CA ALA A 28 11.620 15.375 -2.640 1.00 0.00 C ATOM 381 C ALA A 28 10.096 15.313 -2.623 1.00 0.00 C ATOM 382 O ALA A 28 9.464 15.616 -1.611 1.00 0.00 O ATOM 383 CB ALA A 28 12.099 16.339 -3.716 1.00 0.00 C ATOM 0 H ALA A 28 12.661 13.934 -3.753 1.00 0.00 H new ATOM 0 HA ALA A 28 11.954 15.738 -1.668 1.00 0.00 H new ATOM 0 HB1 ALA A 28 11.660 17.322 -3.545 1.00 0.00 H new ATOM 0 HB2 ALA A 28 13.186 16.415 -3.679 1.00 0.00 H new ATOM 0 HB3 ALA A 28 11.795 15.971 -4.696 1.00 0.00 H new ATOM 389 N ASP A 29 9.513 14.919 -3.750 1.00 0.00 N ATOM 390 CA ASP A 29 8.062 14.817 -3.864 1.00 0.00 C ATOM 391 C ASP A 29 7.604 13.372 -3.692 1.00 0.00 C ATOM 392 O ASP A 29 8.093 12.468 -4.371 1.00 0.00 O ATOM 393 CB ASP A 29 7.597 15.354 -5.218 1.00 0.00 C ATOM 394 CG ASP A 29 7.406 16.858 -5.210 1.00 0.00 C ATOM 395 OD1 ASP A 29 8.292 17.566 -4.687 1.00 0.00 O ATOM 396 OD2 ASP A 29 6.369 17.328 -5.724 1.00 0.00 O ATOM 0 H ASP A 29 10.022 14.665 -4.597 1.00 0.00 H new ATOM 0 HA ASP A 29 7.617 15.418 -3.071 1.00 0.00 H new ATOM 0 HB2 ASP A 29 8.328 15.088 -5.982 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.658 14.873 -5.493 1.00 0.00 H new ATOM 401 N THR A 30 6.663 13.160 -2.777 1.00 0.00 N ATOM 402 CA THR A 30 6.140 11.825 -2.514 1.00 0.00 C ATOM 403 C THR A 30 4.619 11.840 -2.418 1.00 0.00 C ATOM 404 O THR A 30 4.021 12.839 -2.018 1.00 0.00 O ATOM 405 CB THR A 30 6.719 11.243 -1.211 1.00 0.00 C ATOM 406 OG1 THR A 30 6.243 9.906 -1.018 1.00 0.00 O ATOM 407 CG2 THR A 30 6.333 12.101 -0.015 1.00 0.00 C ATOM 0 H THR A 30 6.248 13.896 -2.206 1.00 0.00 H new ATOM 0 HA THR A 30 6.442 11.196 -3.351 1.00 0.00 H new ATOM 0 HB THR A 30 7.806 11.234 -1.295 1.00 0.00 H new ATOM 0 HG1 THR A 30 6.617 9.542 -0.188 1.00 0.00 H new ATOM 0 HG21 THR A 30 6.754 11.669 0.893 1.00 0.00 H new ATOM 0 HG22 THR A 30 6.721 13.110 -0.151 1.00 0.00 H new ATOM 0 HG23 THR A 30 5.247 12.139 0.070 1.00 0.00 H new ATOM 415 N TYR A 31 3.997 10.725 -2.787 1.00 0.00 N ATOM 416 CA TYR A 31 2.544 10.610 -2.745 1.00 0.00 C ATOM 417 C TYR A 31 2.007 11.003 -1.372 1.00 0.00 C ATOM 418 O TYR A 31 2.756 11.446 -0.503 1.00 0.00 O ATOM 419 CB TYR A 31 2.115 9.182 -3.084 1.00 0.00 C ATOM 420 CG TYR A 31 2.894 8.570 -4.227 1.00 0.00 C ATOM 421 CD1 TYR A 31 2.634 8.931 -5.543 1.00 0.00 C ATOM 422 CD2 TYR A 31 3.891 7.632 -3.989 1.00 0.00 C ATOM 423 CE1 TYR A 31 3.344 8.374 -6.589 1.00 0.00 C ATOM 424 CE2 TYR A 31 4.606 7.071 -5.029 1.00 0.00 C ATOM 425 CZ TYR A 31 4.329 7.445 -6.327 1.00 0.00 C ATOM 426 OH TYR A 31 5.038 6.889 -7.367 1.00 0.00 O ATOM 0 H TYR A 31 4.477 9.888 -3.119 1.00 0.00 H new ATOM 0 HA TYR A 31 2.128 11.292 -3.487 1.00 0.00 H new ATOM 0 HB2 TYR A 31 2.233 8.557 -2.199 1.00 0.00 H new ATOM 0 HB3 TYR A 31 1.055 9.180 -3.336 1.00 0.00 H new ATOM 0 HD1 TYR A 31 1.864 9.659 -5.752 1.00 0.00 H new ATOM 0 HD2 TYR A 31 4.111 7.337 -2.974 1.00 0.00 H new ATOM 0 HE1 TYR A 31 3.129 8.665 -7.607 1.00 0.00 H new ATOM 0 HE2 TYR A 31 5.378 6.343 -4.827 1.00 0.00 H new ATOM 0 HH TYR A 31 5.951 6.690 -7.071 1.00 0.00 H new ATOM 436 N GLY A 32 0.701 10.836 -1.186 1.00 0.00 N ATOM 437 CA GLY A 32 0.083 11.176 0.083 1.00 0.00 C ATOM 438 C GLY A 32 -1.131 10.321 0.385 1.00 0.00 C ATOM 439 O GLY A 32 -1.947 10.667 1.239 1.00 0.00 O ATOM 0 H GLY A 32 0.060 10.472 -1.891 1.00 0.00 H new ATOM 0 HA2 GLY A 32 0.814 11.058 0.883 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -0.210 12.226 0.071 1.00 0.00 H new ATOM 443 N PHE A 33 -1.252 9.200 -0.319 1.00 0.00 N ATOM 444 CA PHE A 33 -2.378 8.293 -0.123 1.00 0.00 C ATOM 445 C PHE A 33 -1.957 7.071 0.688 1.00 0.00 C ATOM 446 O PHE A 33 -0.958 6.422 0.380 1.00 0.00 O ATOM 447 CB PHE A 33 -2.945 7.852 -1.474 1.00 0.00 C ATOM 448 CG PHE A 33 -2.158 6.749 -2.124 1.00 0.00 C ATOM 449 CD1 PHE A 33 -0.929 7.009 -2.708 1.00 0.00 C ATOM 450 CD2 PHE A 33 -2.647 5.453 -2.149 1.00 0.00 C ATOM 451 CE1 PHE A 33 -0.203 5.997 -3.307 1.00 0.00 C ATOM 452 CE2 PHE A 33 -1.925 4.437 -2.746 1.00 0.00 C ATOM 453 CZ PHE A 33 -0.702 4.709 -3.325 1.00 0.00 C ATOM 0 H PHE A 33 -0.585 8.898 -1.029 1.00 0.00 H new ATOM 0 HA PHE A 33 -3.150 8.826 0.431 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -3.974 7.521 -1.336 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -2.974 8.711 -2.145 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -0.534 8.014 -2.695 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -3.603 5.234 -1.697 1.00 0.00 H new ATOM 0 HE1 PHE A 33 0.753 6.213 -3.760 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -2.317 3.431 -2.759 1.00 0.00 H new ATOM 0 HZ PHE A 33 -0.136 3.916 -3.791 1.00 0.00 H new ATOM 463 N SER A 34 -2.727 6.764 1.727 1.00 0.00 N ATOM 464 CA SER A 34 -2.433 5.623 2.586 1.00 0.00 C ATOM 465 C SER A 34 -3.270 4.412 2.186 1.00 0.00 C ATOM 466 O SER A 34 -4.356 4.552 1.621 1.00 0.00 O ATOM 467 CB SER A 34 -2.697 5.979 4.050 1.00 0.00 C ATOM 468 OG SER A 34 -2.240 4.953 4.915 1.00 0.00 O ATOM 0 H SER A 34 -3.559 7.290 1.994 1.00 0.00 H new ATOM 0 HA SER A 34 -1.380 5.370 2.465 1.00 0.00 H new ATOM 0 HB2 SER A 34 -2.197 6.916 4.296 1.00 0.00 H new ATOM 0 HB3 SER A 34 -3.765 6.138 4.202 1.00 0.00 H new ATOM 0 HG SER A 34 -2.419 5.205 5.845 1.00 0.00 H new ATOM 474 N LEU A 35 -2.758 3.223 2.484 1.00 0.00 N ATOM 475 CA LEU A 35 -3.458 1.985 2.157 1.00 0.00 C ATOM 476 C LEU A 35 -3.784 1.193 3.419 1.00 0.00 C ATOM 477 O LEU A 35 -2.901 0.900 4.225 1.00 0.00 O ATOM 478 CB LEU A 35 -2.610 1.132 1.211 1.00 0.00 C ATOM 479 CG LEU A 35 -2.449 1.667 -0.213 1.00 0.00 C ATOM 480 CD1 LEU A 35 -1.380 0.885 -0.959 1.00 0.00 C ATOM 481 CD2 LEU A 35 -3.775 1.607 -0.958 1.00 0.00 C ATOM 0 H LEU A 35 -1.861 3.090 2.951 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.394 2.246 1.663 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.618 1.016 1.649 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.052 0.137 1.156 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.134 2.709 -0.156 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.279 1.280 -1.970 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.428 0.980 -0.436 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.665 -0.166 -1.006 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.642 1.991 -1.969 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.120 0.574 -1.005 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -4.514 2.213 -0.434 1.00 0.00 H new ATOM 493 N SER A 36 -5.057 0.849 3.583 1.00 0.00 N ATOM 494 CA SER A 36 -5.500 0.092 4.748 1.00 0.00 C ATOM 495 C SER A 36 -5.769 -1.364 4.380 1.00 0.00 C ATOM 496 O SER A 36 -6.508 -1.651 3.438 1.00 0.00 O ATOM 497 CB SER A 36 -6.762 0.722 5.341 1.00 0.00 C ATOM 498 OG SER A 36 -7.241 -0.035 6.440 1.00 0.00 O ATOM 0 H SER A 36 -5.800 1.082 2.924 1.00 0.00 H new ATOM 0 HA SER A 36 -4.704 0.119 5.493 1.00 0.00 H new ATOM 0 HB2 SER A 36 -6.547 1.741 5.663 1.00 0.00 H new ATOM 0 HB3 SER A 36 -7.535 0.786 4.575 1.00 0.00 H new ATOM 0 HG SER A 36 -8.047 0.389 6.803 1.00 0.00 H new ATOM 504 N SER A 37 -5.163 -2.279 5.130 1.00 0.00 N ATOM 505 CA SER A 37 -5.333 -3.705 4.882 1.00 0.00 C ATOM 506 C SER A 37 -6.562 -4.241 5.610 1.00 0.00 C ATOM 507 O SER A 37 -6.808 -3.902 6.768 1.00 0.00 O ATOM 508 CB SER A 37 -4.087 -4.474 5.326 1.00 0.00 C ATOM 509 OG SER A 37 -4.310 -5.873 5.287 1.00 0.00 O ATOM 0 H SER A 37 -4.550 -2.058 5.914 1.00 0.00 H new ATOM 0 HA SER A 37 -5.476 -3.847 3.811 1.00 0.00 H new ATOM 0 HB2 SER A 37 -3.248 -4.218 4.679 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.812 -4.174 6.337 1.00 0.00 H new ATOM 0 HG SER A 37 -3.498 -6.342 5.573 1.00 0.00 H new ATOM 515 N VAL A 38 -7.330 -5.081 4.924 1.00 0.00 N ATOM 516 CA VAL A 38 -8.533 -5.665 5.505 1.00 0.00 C ATOM 517 C VAL A 38 -8.614 -7.159 5.211 1.00 0.00 C ATOM 518 O VAL A 38 -8.844 -7.566 4.073 1.00 0.00 O ATOM 519 CB VAL A 38 -9.804 -4.979 4.972 1.00 0.00 C ATOM 520 CG1 VAL A 38 -11.017 -5.386 5.795 1.00 0.00 C ATOM 521 CG2 VAL A 38 -9.633 -3.467 4.972 1.00 0.00 C ATOM 0 H VAL A 38 -7.141 -5.372 3.965 1.00 0.00 H new ATOM 0 HA VAL A 38 -8.471 -5.511 6.582 1.00 0.00 H new ATOM 0 HB VAL A 38 -9.967 -5.304 3.944 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -11.905 -4.891 5.403 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -11.149 -6.467 5.739 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -10.867 -5.093 6.834 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -10.541 -2.998 4.592 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -9.445 -3.122 5.989 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -8.791 -3.196 4.335 1.00 0.00 H new ATOM 531 N GLU A 39 -8.425 -7.971 6.247 1.00 0.00 N ATOM 532 CA GLU A 39 -8.477 -9.421 6.099 1.00 0.00 C ATOM 533 C GLU A 39 -9.885 -9.945 6.364 1.00 0.00 C ATOM 534 O GLU A 39 -10.358 -9.936 7.500 1.00 0.00 O ATOM 535 CB GLU A 39 -7.485 -10.089 7.054 1.00 0.00 C ATOM 536 CG GLU A 39 -6.939 -11.410 6.539 1.00 0.00 C ATOM 537 CD GLU A 39 -6.562 -12.362 7.657 1.00 0.00 C ATOM 538 OE1 GLU A 39 -7.409 -12.602 8.543 1.00 0.00 O ATOM 539 OE2 GLU A 39 -5.420 -12.867 7.646 1.00 0.00 O ATOM 0 H GLU A 39 -8.235 -7.650 7.196 1.00 0.00 H new ATOM 0 HA GLU A 39 -8.204 -9.666 5.072 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.654 -9.408 7.235 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -7.974 -10.257 8.013 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -7.685 -11.883 5.901 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -6.063 -11.220 5.919 1.00 0.00 H new ATOM 546 N GLU A 40 -10.550 -10.399 5.306 1.00 0.00 N ATOM 547 CA GLU A 40 -11.905 -10.925 5.424 1.00 0.00 C ATOM 548 C GLU A 40 -11.909 -12.447 5.315 1.00 0.00 C ATOM 549 O GLU A 40 -11.706 -13.004 4.236 1.00 0.00 O ATOM 550 CB GLU A 40 -12.805 -10.324 4.342 1.00 0.00 C ATOM 551 CG GLU A 40 -14.260 -10.200 4.761 1.00 0.00 C ATOM 552 CD GLU A 40 -14.895 -11.543 5.068 1.00 0.00 C ATOM 553 OE1 GLU A 40 -14.762 -12.465 4.237 1.00 0.00 O ATOM 554 OE2 GLU A 40 -15.524 -11.671 6.139 1.00 0.00 O ATOM 0 H GLU A 40 -10.173 -10.413 4.358 1.00 0.00 H new ATOM 0 HA GLU A 40 -12.291 -10.647 6.405 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -12.427 -9.337 4.074 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -12.745 -10.942 3.446 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -14.328 -9.561 5.641 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -14.822 -9.709 3.967 1.00 0.00 H new ATOM 561 N ASP A 41 -12.141 -13.114 6.441 1.00 0.00 N ATOM 562 CA ASP A 41 -12.172 -14.572 6.473 1.00 0.00 C ATOM 563 C ASP A 41 -10.845 -15.154 5.997 1.00 0.00 C ATOM 564 O ASP A 41 -10.794 -16.274 5.490 1.00 0.00 O ATOM 565 CB ASP A 41 -13.316 -15.098 5.605 1.00 0.00 C ATOM 566 CG ASP A 41 -14.663 -14.545 6.025 1.00 0.00 C ATOM 567 OD1 ASP A 41 -14.759 -14.006 7.148 1.00 0.00 O ATOM 568 OD2 ASP A 41 -15.622 -14.651 5.232 1.00 0.00 O ATOM 0 H ASP A 41 -12.310 -12.669 7.343 1.00 0.00 H new ATOM 0 HA ASP A 41 -12.336 -14.885 7.504 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -13.128 -14.836 4.564 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -13.340 -16.186 5.661 1.00 0.00 H new ATOM 573 N GLY A 42 -9.773 -14.386 6.163 1.00 0.00 N ATOM 574 CA GLY A 42 -8.461 -14.842 5.743 1.00 0.00 C ATOM 575 C GLY A 42 -8.005 -14.188 4.454 1.00 0.00 C ATOM 576 O GLY A 42 -6.817 -14.205 4.128 1.00 0.00 O ATOM 0 H GLY A 42 -9.790 -13.456 6.581 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.737 -14.630 6.530 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -8.481 -15.924 5.611 1.00 0.00 H new ATOM 580 N ILE A 43 -8.949 -13.612 3.718 1.00 0.00 N ATOM 581 CA ILE A 43 -8.637 -12.951 2.457 1.00 0.00 C ATOM 582 C ILE A 43 -8.107 -11.541 2.692 1.00 0.00 C ATOM 583 O ILE A 43 -8.847 -10.650 3.108 1.00 0.00 O ATOM 584 CB ILE A 43 -9.872 -12.877 1.539 1.00 0.00 C ATOM 585 CG1 ILE A 43 -10.363 -14.284 1.193 1.00 0.00 C ATOM 586 CG2 ILE A 43 -9.546 -12.097 0.274 1.00 0.00 C ATOM 587 CD1 ILE A 43 -11.846 -14.353 0.905 1.00 0.00 C ATOM 0 H ILE A 43 -9.936 -13.590 3.973 1.00 0.00 H new ATOM 0 HA ILE A 43 -7.867 -13.549 1.969 1.00 0.00 H new ATOM 0 HB ILE A 43 -10.669 -12.355 2.069 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -9.815 -14.648 0.324 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -10.130 -14.955 2.020 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -10.429 -12.054 -0.364 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -9.240 -11.085 0.539 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -8.736 -12.593 -0.261 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -12.123 -15.380 0.668 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -12.403 -14.020 1.781 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -12.083 -13.708 0.058 1.00 0.00 H new ATOM 599 N ARG A 44 -6.820 -11.346 2.421 1.00 0.00 N ATOM 600 CA ARG A 44 -6.190 -10.044 2.603 1.00 0.00 C ATOM 601 C ARG A 44 -6.532 -9.108 1.447 1.00 0.00 C ATOM 602 O ARG A 44 -6.576 -9.526 0.289 1.00 0.00 O ATOM 603 CB ARG A 44 -4.673 -10.199 2.716 1.00 0.00 C ATOM 604 CG ARG A 44 -4.002 -9.076 3.491 1.00 0.00 C ATOM 605 CD ARG A 44 -2.578 -8.842 3.013 1.00 0.00 C ATOM 606 NE ARG A 44 -1.738 -8.260 4.056 1.00 0.00 N ATOM 607 CZ ARG A 44 -1.353 -8.920 5.143 1.00 0.00 C ATOM 608 NH1 ARG A 44 -1.729 -10.178 5.327 1.00 0.00 N ATOM 609 NH2 ARG A 44 -0.589 -8.321 6.048 1.00 0.00 N ATOM 0 H ARG A 44 -6.194 -12.073 2.075 1.00 0.00 H new ATOM 0 HA ARG A 44 -6.573 -9.609 3.526 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -4.448 -11.149 3.201 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -4.245 -10.244 1.714 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -4.580 -8.159 3.378 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -3.995 -9.320 4.553 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -2.146 -9.788 2.685 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -2.591 -8.180 2.147 1.00 0.00 H new ATOM 0 HE ARG A 44 -1.430 -7.294 3.944 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -2.315 -10.642 4.633 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -1.432 -10.682 6.162 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -0.297 -7.354 5.909 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -0.294 -8.828 6.882 1.00 0.00 H new ATOM 623 N ARG A 45 -6.774 -7.842 1.768 1.00 0.00 N ATOM 624 CA ARG A 45 -7.113 -6.848 0.757 1.00 0.00 C ATOM 625 C ARG A 45 -6.552 -5.479 1.130 1.00 0.00 C ATOM 626 O ARG A 45 -6.141 -5.254 2.269 1.00 0.00 O ATOM 627 CB ARG A 45 -8.631 -6.760 0.587 1.00 0.00 C ATOM 628 CG ARG A 45 -9.237 -7.967 -0.110 1.00 0.00 C ATOM 629 CD ARG A 45 -8.909 -7.976 -1.595 1.00 0.00 C ATOM 630 NE ARG A 45 -9.089 -9.299 -2.188 1.00 0.00 N ATOM 631 CZ ARG A 45 -8.811 -9.580 -3.456 1.00 0.00 C ATOM 632 NH1 ARG A 45 -8.341 -8.637 -4.260 1.00 0.00 N ATOM 633 NH2 ARG A 45 -9.002 -10.808 -3.921 1.00 0.00 N ATOM 0 H ARG A 45 -6.742 -7.480 2.721 1.00 0.00 H new ATOM 0 HA ARG A 45 -6.666 -7.160 -0.187 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -9.092 -6.648 1.568 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -8.873 -5.863 0.017 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -8.863 -8.881 0.352 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -10.319 -7.961 0.025 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -9.546 -7.258 -2.111 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -7.879 -7.651 -1.741 1.00 0.00 H new ATOM 0 HE ARG A 45 -9.448 -10.048 -1.596 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -8.192 -7.692 -3.905 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -8.128 -8.856 -5.233 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -9.362 -11.536 -3.305 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -8.788 -11.024 -4.895 1.00 0.00 H new ATOM 647 N LEU A 46 -6.538 -4.568 0.163 1.00 0.00 N ATOM 648 CA LEU A 46 -6.027 -3.220 0.389 1.00 0.00 C ATOM 649 C LEU A 46 -6.986 -2.174 -0.168 1.00 0.00 C ATOM 650 O LEU A 46 -7.588 -2.369 -1.224 1.00 0.00 O ATOM 651 CB LEU A 46 -4.649 -3.061 -0.256 1.00 0.00 C ATOM 652 CG LEU A 46 -3.451 -3.440 0.616 1.00 0.00 C ATOM 653 CD1 LEU A 46 -3.432 -2.606 1.888 1.00 0.00 C ATOM 654 CD2 LEU A 46 -3.484 -4.924 0.951 1.00 0.00 C ATOM 0 H LEU A 46 -6.874 -4.738 -0.785 1.00 0.00 H new ATOM 0 HA LEU A 46 -5.937 -3.067 1.465 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.621 -3.669 -1.160 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -4.533 -2.023 -0.566 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.539 -3.234 0.056 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.573 -2.889 2.496 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.361 -1.550 1.629 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.349 -2.781 2.451 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.624 -5.176 1.572 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.402 -5.155 1.491 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -3.449 -5.506 0.030 1.00 0.00 H new ATOM 666 N TYR A 47 -7.121 -1.062 0.547 1.00 0.00 N ATOM 667 CA TYR A 47 -8.007 0.016 0.124 1.00 0.00 C ATOM 668 C TYR A 47 -7.387 1.378 0.420 1.00 0.00 C ATOM 669 O TYR A 47 -6.606 1.527 1.360 1.00 0.00 O ATOM 670 CB TYR A 47 -9.361 -0.104 0.825 1.00 0.00 C ATOM 671 CG TYR A 47 -10.000 -1.467 0.680 1.00 0.00 C ATOM 672 CD1 TYR A 47 -9.667 -2.506 1.540 1.00 0.00 C ATOM 673 CD2 TYR A 47 -10.935 -1.715 -0.317 1.00 0.00 C ATOM 674 CE1 TYR A 47 -10.248 -3.753 1.411 1.00 0.00 C ATOM 675 CE2 TYR A 47 -11.521 -2.958 -0.452 1.00 0.00 C ATOM 676 CZ TYR A 47 -11.174 -3.974 0.414 1.00 0.00 C ATOM 677 OH TYR A 47 -11.755 -5.215 0.281 1.00 0.00 O ATOM 0 H TYR A 47 -6.628 -0.884 1.422 1.00 0.00 H new ATOM 0 HA TYR A 47 -8.154 -0.070 -0.953 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -9.233 0.117 1.885 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -10.037 0.650 0.422 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -8.942 -2.336 2.322 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -11.208 -0.922 -0.998 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -9.978 -4.550 2.088 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -12.247 -3.134 -1.232 1.00 0.00 H new ATOM 0 HH TYR A 47 -11.730 -5.489 -0.660 1.00 0.00 H new ATOM 687 N VAL A 48 -7.741 2.370 -0.391 1.00 0.00 N ATOM 688 CA VAL A 48 -7.222 3.722 -0.217 1.00 0.00 C ATOM 689 C VAL A 48 -8.076 4.516 0.765 1.00 0.00 C ATOM 690 O VAL A 48 -9.215 4.871 0.466 1.00 0.00 O ATOM 691 CB VAL A 48 -7.164 4.478 -1.557 1.00 0.00 C ATOM 692 CG1 VAL A 48 -6.792 5.935 -1.333 1.00 0.00 C ATOM 693 CG2 VAL A 48 -6.179 3.807 -2.504 1.00 0.00 C ATOM 0 H VAL A 48 -8.385 2.263 -1.175 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.212 3.624 0.180 1.00 0.00 H new ATOM 0 HB VAL A 48 -8.153 4.447 -2.015 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -6.756 6.453 -2.291 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -7.538 6.407 -0.693 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.815 5.991 -0.853 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -6.150 4.354 -3.446 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.186 3.805 -2.055 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -6.495 2.780 -2.690 1.00 0.00 H new ATOM 703 N ASN A 49 -7.517 4.792 1.939 1.00 0.00 N ATOM 704 CA ASN A 49 -8.227 5.545 2.966 1.00 0.00 C ATOM 705 C ASN A 49 -8.467 6.984 2.518 1.00 0.00 C ATOM 706 O ASN A 49 -9.609 7.437 2.435 1.00 0.00 O ATOM 707 CB ASN A 49 -7.437 5.533 4.276 1.00 0.00 C ATOM 708 CG ASN A 49 -7.762 6.722 5.159 1.00 0.00 C ATOM 709 OD1 ASN A 49 -7.441 7.863 4.826 1.00 0.00 O ATOM 710 ND2 ASN A 49 -8.402 6.459 6.292 1.00 0.00 N ATOM 0 H ASN A 49 -6.574 4.505 2.203 1.00 0.00 H new ATOM 0 HA ASN A 49 -9.193 5.067 3.128 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -7.652 4.612 4.818 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -6.370 5.530 4.053 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -8.648 7.218 6.927 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -8.648 5.498 6.527 1.00 0.00 H new ATOM 717 N SER A 50 -7.383 7.696 2.228 1.00 0.00 N ATOM 718 CA SER A 50 -7.475 9.085 1.791 1.00 0.00 C ATOM 719 C SER A 50 -6.386 9.406 0.772 1.00 0.00 C ATOM 720 O SER A 50 -5.308 8.811 0.788 1.00 0.00 O ATOM 721 CB SER A 50 -7.361 10.028 2.991 1.00 0.00 C ATOM 722 OG SER A 50 -8.591 10.113 3.690 1.00 0.00 O ATOM 0 H SER A 50 -6.431 7.335 2.288 1.00 0.00 H new ATOM 0 HA SER A 50 -8.446 9.228 1.317 1.00 0.00 H new ATOM 0 HB2 SER A 50 -6.580 9.673 3.664 1.00 0.00 H new ATOM 0 HB3 SER A 50 -7.063 11.020 2.651 1.00 0.00 H new ATOM 0 HG SER A 50 -8.653 9.377 4.334 1.00 0.00 H new ATOM 728 N VAL A 51 -6.676 10.353 -0.115 1.00 0.00 N ATOM 729 CA VAL A 51 -5.722 10.756 -1.142 1.00 0.00 C ATOM 730 C VAL A 51 -5.513 12.266 -1.135 1.00 0.00 C ATOM 731 O VAL A 51 -6.472 13.037 -1.123 1.00 0.00 O ATOM 732 CB VAL A 51 -6.189 10.320 -2.544 1.00 0.00 C ATOM 733 CG1 VAL A 51 -5.170 10.726 -3.597 1.00 0.00 C ATOM 734 CG2 VAL A 51 -6.436 8.819 -2.580 1.00 0.00 C ATOM 0 H VAL A 51 -7.563 10.855 -0.143 1.00 0.00 H new ATOM 0 HA VAL A 51 -4.779 10.260 -0.911 1.00 0.00 H new ATOM 0 HB VAL A 51 -7.128 10.826 -2.768 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.517 10.410 -4.581 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.048 11.809 -3.586 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -4.213 10.251 -3.380 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -6.765 8.528 -3.578 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -5.514 8.293 -2.334 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.206 8.559 -1.854 1.00 0.00 H new ATOM 744 N LYS A 52 -4.251 12.682 -1.143 1.00 0.00 N ATOM 745 CA LYS A 52 -3.913 14.101 -1.139 1.00 0.00 C ATOM 746 C LYS A 52 -4.700 14.850 -2.210 1.00 0.00 C ATOM 747 O LYS A 52 -4.574 14.563 -3.400 1.00 0.00 O ATOM 748 CB LYS A 52 -2.412 14.289 -1.369 1.00 0.00 C ATOM 749 CG LYS A 52 -1.823 13.312 -2.371 1.00 0.00 C ATOM 750 CD LYS A 52 -0.677 13.935 -3.151 1.00 0.00 C ATOM 751 CE LYS A 52 0.625 13.883 -2.366 1.00 0.00 C ATOM 752 NZ LYS A 52 0.814 15.097 -1.525 1.00 0.00 N ATOM 0 H LYS A 52 -3.445 12.057 -1.152 1.00 0.00 H new ATOM 0 HA LYS A 52 -4.179 14.510 -0.164 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -2.231 15.306 -1.716 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -1.891 14.179 -0.418 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.468 12.424 -1.849 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -2.600 12.986 -3.062 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.553 13.411 -4.099 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.918 14.971 -3.389 1.00 0.00 H new ATOM 0 HE2 LYS A 52 0.631 12.997 -1.731 1.00 0.00 H new ATOM 0 HE3 LYS A 52 1.462 13.786 -3.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 1.620 15.647 -1.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -0.046 15.680 -1.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 1.001 14.813 -0.542 1.00 0.00 H new ATOM 766 N GLU A 53 -5.510 15.812 -1.778 1.00 0.00 N ATOM 767 CA GLU A 53 -6.316 16.603 -2.701 1.00 0.00 C ATOM 768 C GLU A 53 -5.576 16.823 -4.018 1.00 0.00 C ATOM 769 O GLU A 53 -5.900 16.209 -5.036 1.00 0.00 O ATOM 770 CB GLU A 53 -6.674 17.951 -2.074 1.00 0.00 C ATOM 771 CG GLU A 53 -7.588 18.802 -2.940 1.00 0.00 C ATOM 772 CD GLU A 53 -8.330 19.857 -2.144 1.00 0.00 C ATOM 773 OE1 GLU A 53 -7.671 20.786 -1.631 1.00 0.00 O ATOM 774 OE2 GLU A 53 -9.570 19.756 -2.033 1.00 0.00 O ATOM 0 H GLU A 53 -5.625 16.062 -0.796 1.00 0.00 H new ATOM 0 HA GLU A 53 -7.233 16.051 -2.907 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -7.157 17.778 -1.112 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.756 18.505 -1.875 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -6.998 19.287 -3.717 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -8.309 18.158 -3.443 1.00 0.00 H new ATOM 781 N THR A 54 -4.581 17.704 -3.991 1.00 0.00 N ATOM 782 CA THR A 54 -3.796 18.007 -5.181 1.00 0.00 C ATOM 783 C THR A 54 -2.661 17.005 -5.361 1.00 0.00 C ATOM 784 O THR A 54 -1.487 17.358 -5.261 1.00 0.00 O ATOM 785 CB THR A 54 -3.206 19.428 -5.118 1.00 0.00 C ATOM 786 OG1 THR A 54 -2.532 19.624 -3.870 1.00 0.00 O ATOM 787 CG2 THR A 54 -4.298 20.475 -5.279 1.00 0.00 C ATOM 0 H THR A 54 -4.300 18.220 -3.158 1.00 0.00 H new ATOM 0 HA THR A 54 -4.474 17.941 -6.032 1.00 0.00 H new ATOM 0 HB THR A 54 -2.495 19.538 -5.936 1.00 0.00 H new ATOM 0 HG1 THR A 54 -1.797 18.981 -3.791 1.00 0.00 H new ATOM 0 HG21 THR A 54 -3.857 21.471 -5.231 1.00 0.00 H new ATOM 0 HG22 THR A 54 -4.790 20.342 -6.242 1.00 0.00 H new ATOM 0 HG23 THR A 54 -5.030 20.363 -4.479 1.00 0.00 H new ATOM 795 N GLY A 55 -3.020 15.753 -5.629 1.00 0.00 N ATOM 796 CA GLY A 55 -2.019 14.720 -5.820 1.00 0.00 C ATOM 797 C GLY A 55 -2.078 14.103 -7.204 1.00 0.00 C ATOM 798 O GLY A 55 -3.021 14.345 -7.959 1.00 0.00 O ATOM 0 H GLY A 55 -3.986 15.436 -5.717 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -1.028 15.144 -5.657 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -2.159 13.940 -5.072 1.00 0.00 H new ATOM 802 N LEU A 56 -1.070 13.307 -7.538 1.00 0.00 N ATOM 803 CA LEU A 56 -1.009 12.655 -8.842 1.00 0.00 C ATOM 804 C LEU A 56 -1.996 11.494 -8.916 1.00 0.00 C ATOM 805 O LEU A 56 -2.565 11.216 -9.971 1.00 0.00 O ATOM 806 CB LEU A 56 0.409 12.152 -9.118 1.00 0.00 C ATOM 807 CG LEU A 56 1.535 13.160 -8.887 1.00 0.00 C ATOM 808 CD1 LEU A 56 2.890 12.476 -8.979 1.00 0.00 C ATOM 809 CD2 LEU A 56 1.442 14.301 -9.889 1.00 0.00 C ATOM 0 H LEU A 56 -0.283 13.097 -6.924 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.281 13.389 -9.601 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.593 11.281 -8.489 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.458 11.813 -10.153 1.00 0.00 H new ATOM 0 HG LEU A 56 1.427 13.574 -7.884 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.680 13.209 -8.812 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.955 11.694 -8.223 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.008 12.034 -9.969 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.251 15.009 -9.710 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.524 13.904 -10.901 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.484 14.808 -9.775 1.00 0.00 H new ATOM 821 N ALA A 57 -2.196 10.821 -7.788 1.00 0.00 N ATOM 822 CA ALA A 57 -3.118 9.693 -7.724 1.00 0.00 C ATOM 823 C ALA A 57 -4.556 10.146 -7.951 1.00 0.00 C ATOM 824 O ALA A 57 -5.275 9.572 -8.769 1.00 0.00 O ATOM 825 CB ALA A 57 -2.991 8.983 -6.384 1.00 0.00 C ATOM 0 H ALA A 57 -1.732 11.037 -6.906 1.00 0.00 H new ATOM 0 HA ALA A 57 -2.855 8.995 -8.519 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -3.685 8.143 -6.350 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.972 8.617 -6.261 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.225 9.680 -5.579 1.00 0.00 H new ATOM 831 N SER A 58 -4.969 11.178 -7.222 1.00 0.00 N ATOM 832 CA SER A 58 -6.323 11.704 -7.341 1.00 0.00 C ATOM 833 C SER A 58 -6.653 12.031 -8.794 1.00 0.00 C ATOM 834 O SER A 58 -7.559 11.444 -9.385 1.00 0.00 O ATOM 835 CB SER A 58 -6.485 12.956 -6.476 1.00 0.00 C ATOM 836 OG SER A 58 -7.714 13.607 -6.745 1.00 0.00 O ATOM 0 H SER A 58 -4.385 11.666 -6.543 1.00 0.00 H new ATOM 0 HA SER A 58 -7.015 10.938 -6.992 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.438 12.682 -5.422 1.00 0.00 H new ATOM 0 HB3 SER A 58 -5.658 13.641 -6.664 1.00 0.00 H new ATOM 0 HG SER A 58 -7.794 14.403 -6.178 1.00 0.00 H new ATOM 842 N LYS A 59 -5.911 12.974 -9.365 1.00 0.00 N ATOM 843 CA LYS A 59 -6.121 13.381 -10.749 1.00 0.00 C ATOM 844 C LYS A 59 -6.446 12.176 -11.627 1.00 0.00 C ATOM 845 O LYS A 59 -7.499 12.123 -12.263 1.00 0.00 O ATOM 846 CB LYS A 59 -4.880 14.096 -11.287 1.00 0.00 C ATOM 847 CG LYS A 59 -4.531 15.363 -10.525 1.00 0.00 C ATOM 848 CD LYS A 59 -3.245 15.987 -11.040 1.00 0.00 C ATOM 849 CE LYS A 59 -3.433 16.588 -12.425 1.00 0.00 C ATOM 850 NZ LYS A 59 -2.308 17.489 -12.796 1.00 0.00 N ATOM 0 H LYS A 59 -5.158 13.471 -8.890 1.00 0.00 H new ATOM 0 HA LYS A 59 -6.968 14.067 -10.774 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.032 13.413 -11.248 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.040 14.345 -12.336 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -5.347 16.080 -10.617 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -4.426 15.134 -9.465 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -2.912 16.761 -10.348 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -2.460 15.231 -11.074 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -3.515 15.787 -13.160 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.369 17.145 -12.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -2.474 17.878 -13.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -2.246 18.267 -12.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -1.417 16.952 -12.792 1.00 0.00 H new ATOM 864 N LYS A 60 -5.536 11.208 -11.656 1.00 0.00 N ATOM 865 CA LYS A 60 -5.726 10.002 -12.453 1.00 0.00 C ATOM 866 C LYS A 60 -7.119 9.421 -12.236 1.00 0.00 C ATOM 867 O LYS A 60 -7.914 9.323 -13.170 1.00 0.00 O ATOM 868 CB LYS A 60 -4.664 8.959 -12.097 1.00 0.00 C ATOM 869 CG LYS A 60 -3.253 9.373 -12.476 1.00 0.00 C ATOM 870 CD LYS A 60 -3.127 9.623 -13.969 1.00 0.00 C ATOM 871 CE LYS A 60 -1.670 9.689 -14.402 1.00 0.00 C ATOM 872 NZ LYS A 60 -1.516 10.341 -15.732 1.00 0.00 N ATOM 0 H LYS A 60 -4.659 11.235 -11.136 1.00 0.00 H new ATOM 0 HA LYS A 60 -5.624 10.271 -13.504 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -4.701 8.766 -11.025 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -4.905 8.022 -12.598 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -2.979 10.276 -11.931 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -2.552 8.594 -12.176 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -3.635 8.829 -14.516 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -3.627 10.557 -14.226 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -1.095 10.240 -13.658 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -1.257 8.681 -14.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -0.509 10.367 -15.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -2.044 9.801 -16.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -1.887 11.312 -15.688 1.00 0.00 H new ATOM 886 N GLY A 61 -7.409 9.037 -10.997 1.00 0.00 N ATOM 887 CA GLY A 61 -8.707 8.471 -10.680 1.00 0.00 C ATOM 888 C GLY A 61 -8.819 8.054 -9.227 1.00 0.00 C ATOM 889 O GLY A 61 -9.912 8.036 -8.660 1.00 0.00 O ATOM 0 H GLY A 61 -6.768 9.108 -10.207 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -9.483 9.202 -10.906 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -8.888 7.606 -11.318 1.00 0.00 H new ATOM 893 N LEU A 62 -7.686 7.716 -8.621 1.00 0.00 N ATOM 894 CA LEU A 62 -7.660 7.295 -7.225 1.00 0.00 C ATOM 895 C LEU A 62 -8.476 8.246 -6.355 1.00 0.00 C ATOM 896 O LEU A 62 -8.593 9.434 -6.655 1.00 0.00 O ATOM 897 CB LEU A 62 -6.219 7.230 -6.717 1.00 0.00 C ATOM 898 CG LEU A 62 -5.491 5.902 -6.929 1.00 0.00 C ATOM 899 CD1 LEU A 62 -3.990 6.126 -7.029 1.00 0.00 C ATOM 900 CD2 LEU A 62 -5.814 4.932 -5.802 1.00 0.00 C ATOM 0 H LEU A 62 -6.773 7.725 -9.075 1.00 0.00 H new ATOM 0 HA LEU A 62 -8.105 6.302 -7.162 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.646 8.017 -7.207 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.221 7.454 -5.650 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.835 5.466 -7.867 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.489 5.170 -7.180 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.776 6.785 -7.871 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.628 6.584 -6.108 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -5.288 3.992 -5.969 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -5.498 5.361 -4.851 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -6.888 4.747 -5.778 1.00 0.00 H new ATOM 912 N LYS A 63 -9.038 7.715 -5.273 1.00 0.00 N ATOM 913 CA LYS A 63 -9.840 8.516 -4.356 1.00 0.00 C ATOM 914 C LYS A 63 -10.257 7.696 -3.140 1.00 0.00 C ATOM 915 O LYS A 63 -10.479 6.489 -3.240 1.00 0.00 O ATOM 916 CB LYS A 63 -11.081 9.057 -5.070 1.00 0.00 C ATOM 917 CG LYS A 63 -11.841 10.096 -4.265 1.00 0.00 C ATOM 918 CD LYS A 63 -11.140 11.444 -4.291 1.00 0.00 C ATOM 919 CE LYS A 63 -11.599 12.288 -5.469 1.00 0.00 C ATOM 920 NZ LYS A 63 -10.787 12.025 -6.690 1.00 0.00 N ATOM 0 H LYS A 63 -8.952 6.733 -5.010 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.230 9.353 -4.016 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -10.780 9.496 -6.021 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -11.749 8.227 -5.299 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -12.849 10.202 -4.665 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -11.941 9.757 -3.234 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -11.339 11.977 -3.361 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -10.062 11.294 -4.348 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -12.648 12.079 -5.679 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -11.530 13.344 -5.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -10.775 12.875 -7.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -9.814 11.782 -6.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -11.204 11.234 -7.221 1.00 0.00 H new ATOM 934 N ALA A 64 -10.364 8.358 -1.993 1.00 0.00 N ATOM 935 CA ALA A 64 -10.759 7.691 -0.759 1.00 0.00 C ATOM 936 C ALA A 64 -11.934 6.748 -0.996 1.00 0.00 C ATOM 937 O ALA A 64 -13.065 7.189 -1.193 1.00 0.00 O ATOM 938 CB ALA A 64 -11.110 8.718 0.307 1.00 0.00 C ATOM 0 H ALA A 64 -10.182 9.357 -1.893 1.00 0.00 H new ATOM 0 HA ALA A 64 -9.915 7.096 -0.410 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -11.403 8.206 1.223 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -10.243 9.348 0.505 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -11.936 9.337 -0.043 1.00 0.00 H new ATOM 944 N GLY A 65 -11.657 5.448 -0.977 1.00 0.00 N ATOM 945 CA GLY A 65 -12.701 4.464 -1.192 1.00 0.00 C ATOM 946 C GLY A 65 -12.472 3.639 -2.443 1.00 0.00 C ATOM 947 O GLY A 65 -13.392 3.431 -3.235 1.00 0.00 O ATOM 0 H GLY A 65 -10.728 5.059 -0.816 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -12.755 3.801 -0.328 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -13.663 4.970 -1.266 1.00 0.00 H new ATOM 951 N ASP A 66 -11.243 3.169 -2.622 1.00 0.00 N ATOM 952 CA ASP A 66 -10.895 2.362 -3.786 1.00 0.00 C ATOM 953 C ASP A 66 -10.456 0.963 -3.367 1.00 0.00 C ATOM 954 O ASP A 66 -10.258 0.694 -2.182 1.00 0.00 O ATOM 955 CB ASP A 66 -9.783 3.040 -4.589 1.00 0.00 C ATOM 956 CG ASP A 66 -8.400 2.611 -4.139 1.00 0.00 C ATOM 957 OD1 ASP A 66 -8.241 2.280 -2.945 1.00 0.00 O ATOM 958 OD2 ASP A 66 -7.477 2.606 -4.980 1.00 0.00 O ATOM 0 H ASP A 66 -10.471 3.333 -1.976 1.00 0.00 H new ATOM 0 HA ASP A 66 -11.782 2.272 -4.413 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -9.907 2.805 -5.646 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -9.875 4.122 -4.490 1.00 0.00 H new ATOM 963 N GLU A 67 -10.307 0.076 -4.346 1.00 0.00 N ATOM 964 CA GLU A 67 -9.894 -1.296 -4.076 1.00 0.00 C ATOM 965 C GLU A 67 -8.744 -1.708 -4.992 1.00 0.00 C ATOM 966 O GLU A 67 -8.913 -1.815 -6.207 1.00 0.00 O ATOM 967 CB GLU A 67 -11.074 -2.253 -4.259 1.00 0.00 C ATOM 968 CG GLU A 67 -10.674 -3.719 -4.262 1.00 0.00 C ATOM 969 CD GLU A 67 -10.436 -4.262 -2.867 1.00 0.00 C ATOM 970 OE1 GLU A 67 -9.408 -3.900 -2.257 1.00 0.00 O ATOM 971 OE2 GLU A 67 -11.277 -5.049 -2.385 1.00 0.00 O ATOM 0 H GLU A 67 -10.466 0.283 -5.332 1.00 0.00 H new ATOM 0 HA GLU A 67 -9.550 -1.348 -3.043 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -11.796 -2.084 -3.460 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -11.577 -2.020 -5.197 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -11.456 -4.304 -4.747 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -9.768 -3.843 -4.856 1.00 0.00 H new ATOM 978 N ILE A 68 -7.577 -1.936 -4.400 1.00 0.00 N ATOM 979 CA ILE A 68 -6.400 -2.336 -5.162 1.00 0.00 C ATOM 980 C ILE A 68 -6.456 -3.817 -5.522 1.00 0.00 C ATOM 981 O ILE A 68 -6.924 -4.642 -4.736 1.00 0.00 O ATOM 982 CB ILE A 68 -5.103 -2.058 -4.381 1.00 0.00 C ATOM 983 CG1 ILE A 68 -5.148 -0.663 -3.753 1.00 0.00 C ATOM 984 CG2 ILE A 68 -3.894 -2.194 -5.295 1.00 0.00 C ATOM 985 CD1 ILE A 68 -4.798 0.446 -4.720 1.00 0.00 C ATOM 0 H ILE A 68 -7.421 -1.851 -3.396 1.00 0.00 H new ATOM 0 HA ILE A 68 -6.398 -1.742 -6.076 1.00 0.00 H new ATOM 0 HB ILE A 68 -5.014 -2.793 -3.581 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -6.147 -0.485 -3.354 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -4.458 -0.630 -2.910 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -2.985 -1.994 -4.728 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -3.855 -3.206 -5.699 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -3.975 -1.479 -6.114 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -4.850 1.406 -4.207 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -3.788 0.292 -5.100 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -5.503 0.440 -5.551 1.00 0.00 H new ATOM 997 N LEU A 69 -5.975 -4.148 -6.715 1.00 0.00 N ATOM 998 CA LEU A 69 -5.967 -5.531 -7.180 1.00 0.00 C ATOM 999 C LEU A 69 -4.540 -6.043 -7.343 1.00 0.00 C ATOM 1000 O LEU A 69 -4.264 -7.221 -7.118 1.00 0.00 O ATOM 1001 CB LEU A 69 -6.717 -5.647 -8.508 1.00 0.00 C ATOM 1002 CG LEU A 69 -8.153 -5.121 -8.516 1.00 0.00 C ATOM 1003 CD1 LEU A 69 -8.602 -4.817 -9.937 1.00 0.00 C ATOM 1004 CD2 LEU A 69 -9.092 -6.124 -7.862 1.00 0.00 C ATOM 0 H LEU A 69 -5.585 -3.478 -7.378 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.469 -6.143 -6.431 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.151 -5.111 -9.270 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.734 -6.696 -8.802 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.184 -4.196 -7.941 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -9.626 -4.444 -9.923 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.947 -4.062 -10.372 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.555 -5.727 -10.536 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.109 -5.733 -7.877 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.057 -7.066 -8.410 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -8.783 -6.293 -6.830 1.00 0.00 H new ATOM 1016 N GLU A 70 -3.637 -5.150 -7.733 1.00 0.00 N ATOM 1017 CA GLU A 70 -2.237 -5.512 -7.923 1.00 0.00 C ATOM 1018 C GLU A 70 -1.356 -4.268 -7.985 1.00 0.00 C ATOM 1019 O GLU A 70 -1.808 -3.194 -8.385 1.00 0.00 O ATOM 1020 CB GLU A 70 -2.070 -6.333 -9.204 1.00 0.00 C ATOM 1021 CG GLU A 70 -2.336 -7.817 -9.015 1.00 0.00 C ATOM 1022 CD GLU A 70 -1.550 -8.678 -9.983 1.00 0.00 C ATOM 1023 OE1 GLU A 70 -0.391 -9.020 -9.666 1.00 0.00 O ATOM 1024 OE2 GLU A 70 -2.092 -9.011 -11.058 1.00 0.00 O ATOM 0 H GLU A 70 -3.849 -4.171 -7.924 1.00 0.00 H new ATOM 0 HA GLU A 70 -1.925 -6.114 -7.070 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -2.747 -5.945 -9.965 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -1.056 -6.199 -9.582 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -2.082 -8.101 -7.994 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -3.401 -8.011 -9.144 1.00 0.00 H new ATOM 1031 N ILE A 71 -0.098 -4.420 -7.586 1.00 0.00 N ATOM 1032 CA ILE A 71 0.846 -3.310 -7.596 1.00 0.00 C ATOM 1033 C ILE A 71 2.160 -3.711 -8.258 1.00 0.00 C ATOM 1034 O ILE A 71 2.928 -4.499 -7.708 1.00 0.00 O ATOM 1035 CB ILE A 71 1.136 -2.804 -6.170 1.00 0.00 C ATOM 1036 CG1 ILE A 71 -0.148 -2.290 -5.517 1.00 0.00 C ATOM 1037 CG2 ILE A 71 2.195 -1.713 -6.200 1.00 0.00 C ATOM 1038 CD1 ILE A 71 -0.046 -2.143 -4.015 1.00 0.00 C ATOM 0 H ILE A 71 0.291 -5.302 -7.252 1.00 0.00 H new ATOM 0 HA ILE A 71 0.383 -2.508 -8.170 1.00 0.00 H new ATOM 0 HB ILE A 71 1.516 -3.635 -5.576 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.405 -1.324 -5.952 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.964 -2.973 -5.752 1.00 0.00 H new ATOM 0 HG21 ILE A 71 2.389 -1.366 -5.185 1.00 0.00 H new ATOM 0 HG22 ILE A 71 3.115 -2.110 -6.629 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.842 -0.880 -6.807 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -0.993 -1.774 -3.620 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.181 -3.112 -3.569 1.00 0.00 H new ATOM 0 HD13 ILE A 71 0.748 -1.437 -3.772 1.00 0.00 H new ATOM 1050 N ASN A 72 2.411 -3.162 -9.442 1.00 0.00 N ATOM 1051 CA ASN A 72 3.633 -3.462 -10.179 1.00 0.00 C ATOM 1052 C ASN A 72 3.707 -4.945 -10.530 1.00 0.00 C ATOM 1053 O ASN A 72 4.770 -5.559 -10.453 1.00 0.00 O ATOM 1054 CB ASN A 72 4.860 -3.059 -9.359 1.00 0.00 C ATOM 1055 CG ASN A 72 5.221 -1.597 -9.538 1.00 0.00 C ATOM 1056 OD1 ASN A 72 5.188 -1.069 -10.650 1.00 0.00 O ATOM 1057 ND2 ASN A 72 5.568 -0.934 -8.441 1.00 0.00 N ATOM 0 H ASN A 72 1.785 -2.508 -9.911 1.00 0.00 H new ATOM 0 HA ASN A 72 3.619 -2.888 -11.105 1.00 0.00 H new ATOM 0 HB2 ASN A 72 4.669 -3.257 -8.304 1.00 0.00 H new ATOM 0 HB3 ASN A 72 5.708 -3.678 -9.651 1.00 0.00 H new ATOM 0 HD21 ASN A 72 5.821 0.052 -8.500 1.00 0.00 H new ATOM 0 HD22 ASN A 72 5.582 -1.411 -7.540 1.00 0.00 H new ATOM 1064 N ASN A 73 2.569 -5.513 -10.916 1.00 0.00 N ATOM 1065 CA ASN A 73 2.505 -6.924 -11.279 1.00 0.00 C ATOM 1066 C ASN A 73 2.772 -7.811 -10.066 1.00 0.00 C ATOM 1067 O ASN A 73 3.456 -8.829 -10.168 1.00 0.00 O ATOM 1068 CB ASN A 73 3.515 -7.235 -12.385 1.00 0.00 C ATOM 1069 CG ASN A 73 3.400 -6.280 -13.558 1.00 0.00 C ATOM 1070 OD1 ASN A 73 2.480 -5.465 -13.621 1.00 0.00 O ATOM 1071 ND2 ASN A 73 4.338 -6.377 -14.493 1.00 0.00 N ATOM 0 H ASN A 73 1.680 -5.018 -10.985 1.00 0.00 H new ATOM 0 HA ASN A 73 1.500 -7.133 -11.646 1.00 0.00 H new ATOM 0 HB2 ASN A 73 4.524 -7.184 -11.976 1.00 0.00 H new ATOM 0 HB3 ASN A 73 3.364 -8.256 -12.735 1.00 0.00 H new ATOM 0 HD21 ASN A 73 4.314 -5.760 -15.305 1.00 0.00 H new ATOM 0 HD22 ASN A 73 5.082 -7.068 -14.399 1.00 0.00 H new ATOM 1078 N ARG A 74 2.228 -7.416 -8.920 1.00 0.00 N ATOM 1079 CA ARG A 74 2.408 -8.174 -7.688 1.00 0.00 C ATOM 1080 C ARG A 74 1.099 -8.266 -6.909 1.00 0.00 C ATOM 1081 O ARG A 74 0.313 -7.319 -6.884 1.00 0.00 O ATOM 1082 CB ARG A 74 3.487 -7.525 -6.818 1.00 0.00 C ATOM 1083 CG ARG A 74 4.896 -7.712 -7.356 1.00 0.00 C ATOM 1084 CD ARG A 74 5.496 -9.032 -6.899 1.00 0.00 C ATOM 1085 NE ARG A 74 6.723 -9.355 -7.623 1.00 0.00 N ATOM 1086 CZ ARG A 74 6.740 -9.914 -8.828 1.00 0.00 C ATOM 1087 NH1 ARG A 74 5.602 -10.210 -9.441 1.00 0.00 N ATOM 1088 NH2 ARG A 74 7.897 -10.178 -9.422 1.00 0.00 N ATOM 0 H ARG A 74 1.659 -6.576 -8.819 1.00 0.00 H new ATOM 0 HA ARG A 74 2.723 -9.183 -7.955 1.00 0.00 H new ATOM 0 HB2 ARG A 74 3.279 -6.459 -6.731 1.00 0.00 H new ATOM 0 HB3 ARG A 74 3.432 -7.944 -5.813 1.00 0.00 H new ATOM 0 HG2 ARG A 74 4.878 -7.677 -8.445 1.00 0.00 H new ATOM 0 HG3 ARG A 74 5.527 -6.889 -7.021 1.00 0.00 H new ATOM 0 HD2 ARG A 74 5.707 -8.984 -5.831 1.00 0.00 H new ATOM 0 HD3 ARG A 74 4.768 -9.831 -7.044 1.00 0.00 H new ATOM 0 HE ARG A 74 7.616 -9.140 -7.179 1.00 0.00 H new ATOM 0 HH11 ARG A 74 4.711 -10.008 -8.987 1.00 0.00 H new ATOM 0 HH12 ARG A 74 5.618 -10.639 -10.366 1.00 0.00 H new ATOM 0 HH21 ARG A 74 8.774 -9.952 -8.953 1.00 0.00 H new ATOM 0 HH22 ARG A 74 7.909 -10.607 -10.347 1.00 0.00 H new ATOM 1102 N ALA A 75 0.872 -9.412 -6.277 1.00 0.00 N ATOM 1103 CA ALA A 75 -0.340 -9.627 -5.497 1.00 0.00 C ATOM 1104 C ALA A 75 -0.339 -8.773 -4.233 1.00 0.00 C ATOM 1105 O ALA A 75 0.590 -8.840 -3.429 1.00 0.00 O ATOM 1106 CB ALA A 75 -0.485 -11.099 -5.141 1.00 0.00 C ATOM 0 H ALA A 75 1.512 -10.206 -6.290 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.192 -9.326 -6.107 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -1.395 -11.245 -4.558 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.541 -11.691 -6.055 1.00 0.00 H new ATOM 0 HB3 ALA A 75 0.376 -11.418 -4.554 1.00 0.00 H new ATOM 1112 N ALA A 76 -1.385 -7.971 -4.066 1.00 0.00 N ATOM 1113 CA ALA A 76 -1.505 -7.105 -2.899 1.00 0.00 C ATOM 1114 C ALA A 76 -1.324 -7.896 -1.608 1.00 0.00 C ATOM 1115 O ALA A 76 -0.569 -7.492 -0.723 1.00 0.00 O ATOM 1116 CB ALA A 76 -2.852 -6.398 -2.903 1.00 0.00 C ATOM 0 H ALA A 76 -2.162 -7.903 -4.724 1.00 0.00 H new ATOM 0 HA ALA A 76 -0.714 -6.356 -2.949 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -2.928 -5.755 -2.026 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -2.943 -5.793 -3.805 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -3.652 -7.138 -2.880 1.00 0.00 H new ATOM 1122 N ASP A 77 -2.021 -9.022 -1.506 1.00 0.00 N ATOM 1123 CA ASP A 77 -1.936 -9.870 -0.323 1.00 0.00 C ATOM 1124 C ASP A 77 -0.516 -10.391 -0.128 1.00 0.00 C ATOM 1125 O ASP A 77 -0.083 -10.635 0.998 1.00 0.00 O ATOM 1126 CB ASP A 77 -2.912 -11.042 -0.438 1.00 0.00 C ATOM 1127 CG ASP A 77 -2.622 -11.920 -1.640 1.00 0.00 C ATOM 1128 OD1 ASP A 77 -2.857 -11.463 -2.779 1.00 0.00 O ATOM 1129 OD2 ASP A 77 -2.160 -13.063 -1.442 1.00 0.00 O ATOM 0 H ASP A 77 -2.652 -9.369 -2.229 1.00 0.00 H new ATOM 0 HA ASP A 77 -2.205 -9.268 0.545 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -2.861 -11.644 0.469 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -3.930 -10.658 -0.509 1.00 0.00 H new ATOM 1134 N ALA A 78 0.204 -10.560 -1.232 1.00 0.00 N ATOM 1135 CA ALA A 78 1.575 -11.051 -1.182 1.00 0.00 C ATOM 1136 C ALA A 78 2.522 -9.984 -0.642 1.00 0.00 C ATOM 1137 O ALA A 78 3.513 -10.295 0.019 1.00 0.00 O ATOM 1138 CB ALA A 78 2.023 -11.506 -2.563 1.00 0.00 C ATOM 0 H ALA A 78 -0.140 -10.364 -2.172 1.00 0.00 H new ATOM 0 HA ALA A 78 1.605 -11.903 -0.503 1.00 0.00 H new ATOM 0 HB1 ALA A 78 3.049 -11.870 -2.511 1.00 0.00 H new ATOM 0 HB2 ALA A 78 1.371 -12.307 -2.912 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.971 -10.667 -3.257 1.00 0.00 H new ATOM 1144 N LEU A 79 2.210 -8.724 -0.929 1.00 0.00 N ATOM 1145 CA LEU A 79 3.034 -7.610 -0.472 1.00 0.00 C ATOM 1146 C LEU A 79 2.815 -7.344 1.014 1.00 0.00 C ATOM 1147 O LEU A 79 1.684 -7.154 1.460 1.00 0.00 O ATOM 1148 CB LEU A 79 2.715 -6.350 -1.280 1.00 0.00 C ATOM 1149 CG LEU A 79 2.990 -6.429 -2.782 1.00 0.00 C ATOM 1150 CD1 LEU A 79 2.269 -5.310 -3.516 1.00 0.00 C ATOM 1151 CD2 LEU A 79 4.486 -6.370 -3.054 1.00 0.00 C ATOM 0 H LEU A 79 1.394 -8.449 -1.475 1.00 0.00 H new ATOM 0 HA LEU A 79 4.080 -7.877 -0.624 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.662 -6.107 -1.136 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.293 -5.522 -0.868 1.00 0.00 H new ATOM 0 HG LEU A 79 2.611 -7.382 -3.152 1.00 0.00 H new ATOM 0 HD11 LEU A 79 2.476 -5.382 -4.584 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.196 -5.397 -3.348 1.00 0.00 H new ATOM 0 HD13 LEU A 79 2.617 -4.347 -3.143 1.00 0.00 H new ATOM 0 HD21 LEU A 79 4.663 -6.428 -4.128 1.00 0.00 H new ATOM 0 HD22 LEU A 79 4.889 -5.433 -2.669 1.00 0.00 H new ATOM 0 HD23 LEU A 79 4.979 -7.207 -2.560 1.00 0.00 H new ATOM 1163 N ASN A 80 3.905 -7.329 1.774 1.00 0.00 N ATOM 1164 CA ASN A 80 3.832 -7.085 3.210 1.00 0.00 C ATOM 1165 C ASN A 80 4.236 -5.651 3.539 1.00 0.00 C ATOM 1166 O ASN A 80 4.887 -4.979 2.738 1.00 0.00 O ATOM 1167 CB ASN A 80 4.733 -8.065 3.962 1.00 0.00 C ATOM 1168 CG ASN A 80 6.206 -7.820 3.694 1.00 0.00 C ATOM 1169 OD1 ASN A 80 6.845 -7.012 4.368 1.00 0.00 O ATOM 1170 ND2 ASN A 80 6.751 -8.517 2.704 1.00 0.00 N ATOM 0 H ASN A 80 4.849 -7.483 1.420 1.00 0.00 H new ATOM 0 HA ASN A 80 2.800 -7.235 3.526 1.00 0.00 H new ATOM 0 HB2 ASN A 80 4.543 -7.981 5.032 1.00 0.00 H new ATOM 0 HB3 ASN A 80 4.478 -9.084 3.672 1.00 0.00 H new ATOM 0 HD21 ASN A 80 7.737 -8.393 2.476 1.00 0.00 H new ATOM 0 HD22 ASN A 80 6.183 -9.176 2.172 1.00 0.00 H new ATOM 1177 N SER A 81 3.845 -5.188 4.722 1.00 0.00 N ATOM 1178 CA SER A 81 4.164 -3.833 5.156 1.00 0.00 C ATOM 1179 C SER A 81 5.542 -3.411 4.654 1.00 0.00 C ATOM 1180 O SER A 81 5.683 -2.396 3.973 1.00 0.00 O ATOM 1181 CB SER A 81 4.113 -3.738 6.682 1.00 0.00 C ATOM 1182 OG SER A 81 4.815 -4.812 7.283 1.00 0.00 O ATOM 0 H SER A 81 3.307 -5.731 5.397 1.00 0.00 H new ATOM 0 HA SER A 81 3.420 -3.158 4.732 1.00 0.00 H new ATOM 0 HB2 SER A 81 4.545 -2.791 7.005 1.00 0.00 H new ATOM 0 HB3 SER A 81 3.075 -3.746 7.016 1.00 0.00 H new ATOM 0 HG SER A 81 4.769 -4.728 8.258 1.00 0.00 H new ATOM 1188 N SER A 82 6.556 -4.199 4.997 1.00 0.00 N ATOM 1189 CA SER A 82 7.924 -3.907 4.586 1.00 0.00 C ATOM 1190 C SER A 82 7.979 -3.538 3.106 1.00 0.00 C ATOM 1191 O SER A 82 8.255 -2.393 2.751 1.00 0.00 O ATOM 1192 CB SER A 82 8.828 -5.111 4.857 1.00 0.00 C ATOM 1193 OG SER A 82 10.183 -4.713 4.982 1.00 0.00 O ATOM 0 H SER A 82 6.456 -5.045 5.559 1.00 0.00 H new ATOM 0 HA SER A 82 8.279 -3.057 5.168 1.00 0.00 H new ATOM 0 HB2 SER A 82 8.507 -5.613 5.770 1.00 0.00 H new ATOM 0 HB3 SER A 82 8.731 -5.833 4.046 1.00 0.00 H new ATOM 0 HG SER A 82 10.740 -5.500 5.157 1.00 0.00 H new ATOM 1199 N MET A 83 7.715 -4.518 2.248 1.00 0.00 N ATOM 1200 CA MET A 83 7.733 -4.296 0.807 1.00 0.00 C ATOM 1201 C MET A 83 6.906 -3.070 0.435 1.00 0.00 C ATOM 1202 O MET A 83 7.372 -2.192 -0.293 1.00 0.00 O ATOM 1203 CB MET A 83 7.199 -5.528 0.073 1.00 0.00 C ATOM 1204 CG MET A 83 8.266 -6.568 -0.225 1.00 0.00 C ATOM 1205 SD MET A 83 7.727 -7.787 -1.440 1.00 0.00 S ATOM 1206 CE MET A 83 6.746 -8.878 -0.414 1.00 0.00 C ATOM 0 H MET A 83 7.486 -5.473 2.525 1.00 0.00 H new ATOM 0 HA MET A 83 8.765 -4.121 0.505 1.00 0.00 H new ATOM 0 HB2 MET A 83 6.414 -5.987 0.674 1.00 0.00 H new ATOM 0 HB3 MET A 83 6.740 -5.212 -0.864 1.00 0.00 H new ATOM 0 HG2 MET A 83 9.163 -6.068 -0.591 1.00 0.00 H new ATOM 0 HG3 MET A 83 8.539 -7.078 0.699 1.00 0.00 H new ATOM 0 HE1 MET A 83 6.187 -9.567 -1.047 1.00 0.00 H new ATOM 0 HE2 MET A 83 7.403 -9.443 0.247 1.00 0.00 H new ATOM 0 HE3 MET A 83 6.050 -8.288 0.183 1.00 0.00 H new ATOM 1216 N LEU A 84 5.678 -3.015 0.938 1.00 0.00 N ATOM 1217 CA LEU A 84 4.786 -1.895 0.658 1.00 0.00 C ATOM 1218 C LEU A 84 5.501 -0.564 0.866 1.00 0.00 C ATOM 1219 O LEU A 84 5.390 0.348 0.046 1.00 0.00 O ATOM 1220 CB LEU A 84 3.548 -1.968 1.554 1.00 0.00 C ATOM 1221 CG LEU A 84 2.423 -2.884 1.071 1.00 0.00 C ATOM 1222 CD1 LEU A 84 1.465 -3.198 2.210 1.00 0.00 C ATOM 1223 CD2 LEU A 84 1.679 -2.247 -0.094 1.00 0.00 C ATOM 0 H LEU A 84 5.277 -3.733 1.542 1.00 0.00 H new ATOM 0 HA LEU A 84 4.477 -1.960 -0.385 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.860 -2.300 2.544 1.00 0.00 H new ATOM 0 HB3 LEU A 84 3.146 -0.961 1.667 1.00 0.00 H new ATOM 0 HG LEU A 84 2.864 -3.819 0.726 1.00 0.00 H new ATOM 0 HD11 LEU A 84 0.671 -3.851 1.848 1.00 0.00 H new ATOM 0 HD12 LEU A 84 2.007 -3.697 3.014 1.00 0.00 H new ATOM 0 HD13 LEU A 84 1.030 -2.272 2.586 1.00 0.00 H new ATOM 0 HD21 LEU A 84 0.882 -2.913 -0.425 1.00 0.00 H new ATOM 0 HD22 LEU A 84 1.249 -1.297 0.224 1.00 0.00 H new ATOM 0 HD23 LEU A 84 2.372 -2.074 -0.917 1.00 0.00 H new ATOM 1235 N LYS A 85 6.237 -0.459 1.967 1.00 0.00 N ATOM 1236 CA LYS A 85 6.974 0.759 2.283 1.00 0.00 C ATOM 1237 C LYS A 85 7.973 1.091 1.179 1.00 0.00 C ATOM 1238 O LYS A 85 8.158 2.256 0.827 1.00 0.00 O ATOM 1239 CB LYS A 85 7.706 0.605 3.618 1.00 0.00 C ATOM 1240 CG LYS A 85 6.871 1.014 4.819 1.00 0.00 C ATOM 1241 CD LYS A 85 7.705 1.059 6.089 1.00 0.00 C ATOM 1242 CE LYS A 85 7.898 -0.330 6.678 1.00 0.00 C ATOM 1243 NZ LYS A 85 8.268 -0.274 8.120 1.00 0.00 N ATOM 0 H LYS A 85 6.339 -1.204 2.656 1.00 0.00 H new ATOM 0 HA LYS A 85 6.258 1.578 2.361 1.00 0.00 H new ATOM 0 HB2 LYS A 85 8.014 -0.434 3.737 1.00 0.00 H new ATOM 0 HB3 LYS A 85 8.615 1.206 3.596 1.00 0.00 H new ATOM 0 HG2 LYS A 85 6.428 1.993 4.639 1.00 0.00 H new ATOM 0 HG3 LYS A 85 6.048 0.311 4.948 1.00 0.00 H new ATOM 0 HD2 LYS A 85 8.677 1.502 5.872 1.00 0.00 H new ATOM 0 HD3 LYS A 85 7.219 1.702 6.822 1.00 0.00 H new ATOM 0 HE2 LYS A 85 6.980 -0.905 6.561 1.00 0.00 H new ATOM 0 HE3 LYS A 85 8.676 -0.855 6.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 8.391 -1.240 8.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 9.158 0.253 8.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 7.514 0.204 8.653 1.00 0.00 H new ATOM 1257 N ASP A 86 8.612 0.061 0.636 1.00 0.00 N ATOM 1258 CA ASP A 86 9.590 0.244 -0.430 1.00 0.00 C ATOM 1259 C ASP A 86 8.903 0.617 -1.740 1.00 0.00 C ATOM 1260 O ASP A 86 9.432 1.399 -2.530 1.00 0.00 O ATOM 1261 CB ASP A 86 10.416 -1.029 -0.618 1.00 0.00 C ATOM 1262 CG ASP A 86 11.808 -0.744 -1.148 1.00 0.00 C ATOM 1263 OD1 ASP A 86 12.672 -0.324 -0.350 1.00 0.00 O ATOM 1264 OD2 ASP A 86 12.032 -0.941 -2.360 1.00 0.00 O ATOM 0 H ASP A 86 8.470 -0.909 0.916 1.00 0.00 H new ATOM 0 HA ASP A 86 10.254 1.060 -0.144 1.00 0.00 H new ATOM 0 HB2 ASP A 86 10.494 -1.552 0.335 1.00 0.00 H new ATOM 0 HB3 ASP A 86 9.898 -1.696 -1.307 1.00 0.00 H new ATOM 1269 N PHE A 87 7.722 0.052 -1.964 1.00 0.00 N ATOM 1270 CA PHE A 87 6.963 0.323 -3.179 1.00 0.00 C ATOM 1271 C PHE A 87 6.491 1.774 -3.214 1.00 0.00 C ATOM 1272 O PHE A 87 6.376 2.376 -4.282 1.00 0.00 O ATOM 1273 CB PHE A 87 5.760 -0.618 -3.276 1.00 0.00 C ATOM 1274 CG PHE A 87 6.073 -1.925 -3.946 1.00 0.00 C ATOM 1275 CD1 PHE A 87 7.360 -2.437 -3.926 1.00 0.00 C ATOM 1276 CD2 PHE A 87 5.081 -2.641 -4.596 1.00 0.00 C ATOM 1277 CE1 PHE A 87 7.652 -3.639 -4.543 1.00 0.00 C ATOM 1278 CE2 PHE A 87 5.366 -3.843 -5.215 1.00 0.00 C ATOM 1279 CZ PHE A 87 6.653 -4.344 -5.187 1.00 0.00 C ATOM 0 H PHE A 87 7.269 -0.597 -1.320 1.00 0.00 H new ATOM 0 HA PHE A 87 7.619 0.152 -4.032 1.00 0.00 H new ATOM 0 HB2 PHE A 87 5.381 -0.815 -2.273 1.00 0.00 H new ATOM 0 HB3 PHE A 87 4.962 -0.119 -3.826 1.00 0.00 H new ATOM 0 HD1 PHE A 87 8.144 -1.891 -3.423 1.00 0.00 H new ATOM 0 HD2 PHE A 87 4.073 -2.255 -4.619 1.00 0.00 H new ATOM 0 HE1 PHE A 87 8.660 -4.027 -4.522 1.00 0.00 H new ATOM 0 HE2 PHE A 87 4.584 -4.390 -5.720 1.00 0.00 H new ATOM 0 HZ PHE A 87 6.878 -5.285 -5.667 1.00 0.00 H new ATOM 1289 N LEU A 88 6.220 2.330 -2.038 1.00 0.00 N ATOM 1290 CA LEU A 88 5.761 3.710 -1.932 1.00 0.00 C ATOM 1291 C LEU A 88 6.927 4.684 -2.069 1.00 0.00 C ATOM 1292 O LEU A 88 6.735 5.856 -2.395 1.00 0.00 O ATOM 1293 CB LEU A 88 5.052 3.931 -0.595 1.00 0.00 C ATOM 1294 CG LEU A 88 3.634 3.369 -0.485 1.00 0.00 C ATOM 1295 CD1 LEU A 88 3.135 3.454 0.949 1.00 0.00 C ATOM 1296 CD2 LEU A 88 2.693 4.108 -1.425 1.00 0.00 C ATOM 0 H LEU A 88 6.310 1.846 -1.145 1.00 0.00 H new ATOM 0 HA LEU A 88 5.058 3.896 -2.744 1.00 0.00 H new ATOM 0 HB2 LEU A 88 5.659 3.486 0.193 1.00 0.00 H new ATOM 0 HB3 LEU A 88 5.012 5.003 -0.401 1.00 0.00 H new ATOM 0 HG LEU A 88 3.656 2.319 -0.777 1.00 0.00 H new ATOM 0 HD11 LEU A 88 2.125 3.049 1.007 1.00 0.00 H new ATOM 0 HD12 LEU A 88 3.794 2.878 1.598 1.00 0.00 H new ATOM 0 HD13 LEU A 88 3.128 4.495 1.271 1.00 0.00 H new ATOM 0 HD21 LEU A 88 1.689 3.695 -1.333 1.00 0.00 H new ATOM 0 HD22 LEU A 88 2.675 5.166 -1.164 1.00 0.00 H new ATOM 0 HD23 LEU A 88 3.040 3.993 -2.452 1.00 0.00 H new ATOM 1308 N SER A 89 8.136 4.191 -1.821 1.00 0.00 N ATOM 1309 CA SER A 89 9.333 5.018 -1.915 1.00 0.00 C ATOM 1310 C SER A 89 9.851 5.062 -3.350 1.00 0.00 C ATOM 1311 O SER A 89 10.993 5.448 -3.596 1.00 0.00 O ATOM 1312 CB SER A 89 10.422 4.484 -0.984 1.00 0.00 C ATOM 1313 OG SER A 89 11.270 5.528 -0.539 1.00 0.00 O ATOM 0 H SER A 89 8.312 3.223 -1.553 1.00 0.00 H new ATOM 0 HA SER A 89 9.070 6.031 -1.610 1.00 0.00 H new ATOM 0 HB2 SER A 89 9.963 3.994 -0.126 1.00 0.00 H new ATOM 0 HB3 SER A 89 11.012 3.729 -1.504 1.00 0.00 H new ATOM 0 HG SER A 89 11.957 5.161 0.056 1.00 0.00 H new ATOM 1319 N GLN A 90 9.002 4.662 -4.291 1.00 0.00 N ATOM 1320 CA GLN A 90 9.374 4.655 -5.701 1.00 0.00 C ATOM 1321 C GLN A 90 8.817 5.881 -6.418 1.00 0.00 C ATOM 1322 O GLN A 90 7.732 6.373 -6.105 1.00 0.00 O ATOM 1323 CB GLN A 90 8.867 3.380 -6.378 1.00 0.00 C ATOM 1324 CG GLN A 90 9.320 2.104 -5.687 1.00 0.00 C ATOM 1325 CD GLN A 90 10.827 1.937 -5.699 1.00 0.00 C ATOM 1326 OE1 GLN A 90 11.477 2.138 -6.725 1.00 0.00 O ATOM 1327 NE2 GLN A 90 11.391 1.567 -4.555 1.00 0.00 N ATOM 0 H GLN A 90 8.053 4.339 -4.103 1.00 0.00 H new ATOM 0 HA GLN A 90 10.462 4.683 -5.763 1.00 0.00 H new ATOM 0 HB2 GLN A 90 7.778 3.402 -6.405 1.00 0.00 H new ATOM 0 HB3 GLN A 90 9.212 3.366 -7.412 1.00 0.00 H new ATOM 0 HG2 GLN A 90 8.967 2.109 -4.656 1.00 0.00 H new ATOM 0 HG3 GLN A 90 8.859 1.247 -6.178 1.00 0.00 H new ATOM 0 HE21 GLN A 90 10.814 1.411 -3.729 1.00 0.00 H new ATOM 0 HE22 GLN A 90 12.402 1.439 -4.503 1.00 0.00 H new ATOM 1336 N PRO A 91 9.575 6.387 -7.402 1.00 0.00 N ATOM 1337 CA PRO A 91 9.176 7.562 -8.183 1.00 0.00 C ATOM 1338 C PRO A 91 7.999 7.272 -9.106 1.00 0.00 C ATOM 1339 O PRO A 91 7.247 8.175 -9.473 1.00 0.00 O ATOM 1340 CB PRO A 91 10.430 7.886 -9.000 1.00 0.00 C ATOM 1341 CG PRO A 91 11.157 6.591 -9.107 1.00 0.00 C ATOM 1342 CD PRO A 91 10.879 5.852 -7.828 1.00 0.00 C ATOM 0 HA PRO A 91 8.842 8.381 -7.546 1.00 0.00 H new ATOM 0 HB2 PRO A 91 10.171 8.277 -9.984 1.00 0.00 H new ATOM 0 HB3 PRO A 91 11.040 8.643 -8.506 1.00 0.00 H new ATOM 0 HG2 PRO A 91 10.813 6.021 -9.970 1.00 0.00 H new ATOM 0 HG3 PRO A 91 12.227 6.754 -9.239 1.00 0.00 H new ATOM 0 HD2 PRO A 91 10.839 4.774 -7.987 1.00 0.00 H new ATOM 0 HD3 PRO A 91 11.652 6.035 -7.082 1.00 0.00 H new ATOM 1350 N SER A 92 7.843 6.005 -9.479 1.00 0.00 N ATOM 1351 CA SER A 92 6.757 5.597 -10.363 1.00 0.00 C ATOM 1352 C SER A 92 6.118 4.300 -9.875 1.00 0.00 C ATOM 1353 O SER A 92 6.797 3.287 -9.699 1.00 0.00 O ATOM 1354 CB SER A 92 7.275 5.417 -11.792 1.00 0.00 C ATOM 1355 OG SER A 92 7.956 4.183 -11.936 1.00 0.00 O ATOM 0 H SER A 92 8.454 5.244 -9.183 1.00 0.00 H new ATOM 0 HA SER A 92 6.000 6.381 -10.354 1.00 0.00 H new ATOM 0 HB2 SER A 92 6.441 5.460 -12.492 1.00 0.00 H new ATOM 0 HB3 SER A 92 7.946 6.238 -12.045 1.00 0.00 H new ATOM 0 HG SER A 92 7.778 3.618 -11.155 1.00 0.00 H new ATOM 1361 N LEU A 93 4.808 4.339 -9.658 1.00 0.00 N ATOM 1362 CA LEU A 93 4.075 3.168 -9.191 1.00 0.00 C ATOM 1363 C LEU A 93 2.904 2.853 -10.116 1.00 0.00 C ATOM 1364 O LEU A 93 2.356 3.743 -10.765 1.00 0.00 O ATOM 1365 CB LEU A 93 3.568 3.395 -7.766 1.00 0.00 C ATOM 1366 CG LEU A 93 4.527 3.005 -6.641 1.00 0.00 C ATOM 1367 CD1 LEU A 93 4.278 3.858 -5.407 1.00 0.00 C ATOM 1368 CD2 LEU A 93 4.386 1.527 -6.307 1.00 0.00 C ATOM 0 H LEU A 93 4.232 5.169 -9.798 1.00 0.00 H new ATOM 0 HA LEU A 93 4.756 2.317 -9.197 1.00 0.00 H new ATOM 0 HB2 LEU A 93 3.319 4.450 -7.654 1.00 0.00 H new ATOM 0 HB3 LEU A 93 2.642 2.834 -7.638 1.00 0.00 H new ATOM 0 HG LEU A 93 5.547 3.184 -6.982 1.00 0.00 H new ATOM 0 HD11 LEU A 93 4.970 3.566 -4.617 1.00 0.00 H new ATOM 0 HD12 LEU A 93 4.432 4.909 -5.654 1.00 0.00 H new ATOM 0 HD13 LEU A 93 3.254 3.712 -5.064 1.00 0.00 H new ATOM 0 HD21 LEU A 93 5.076 1.268 -5.504 1.00 0.00 H new ATOM 0 HD22 LEU A 93 3.364 1.322 -5.987 1.00 0.00 H new ATOM 0 HD23 LEU A 93 4.616 0.931 -7.190 1.00 0.00 H new ATOM 1380 N GLY A 94 2.524 1.580 -10.169 1.00 0.00 N ATOM 1381 CA GLY A 94 1.419 1.171 -11.016 1.00 0.00 C ATOM 1382 C GLY A 94 0.363 0.392 -10.256 1.00 0.00 C ATOM 1383 O GLY A 94 0.558 -0.781 -9.934 1.00 0.00 O ATOM 0 H GLY A 94 2.962 0.825 -9.641 1.00 0.00 H new ATOM 0 HA2 GLY A 94 0.963 2.054 -11.464 1.00 0.00 H new ATOM 0 HA3 GLY A 94 1.799 0.559 -11.834 1.00 0.00 H new ATOM 1387 N LEU A 95 -0.757 1.044 -9.966 1.00 0.00 N ATOM 1388 CA LEU A 95 -1.847 0.406 -9.236 1.00 0.00 C ATOM 1389 C LEU A 95 -2.904 -0.131 -10.197 1.00 0.00 C ATOM 1390 O LEU A 95 -3.034 0.348 -11.324 1.00 0.00 O ATOM 1391 CB LEU A 95 -2.484 1.398 -8.262 1.00 0.00 C ATOM 1392 CG LEU A 95 -1.529 2.094 -7.292 1.00 0.00 C ATOM 1393 CD1 LEU A 95 -2.256 3.178 -6.511 1.00 0.00 C ATOM 1394 CD2 LEU A 95 -0.900 1.083 -6.345 1.00 0.00 C ATOM 0 H LEU A 95 -0.935 2.014 -10.225 1.00 0.00 H new ATOM 0 HA LEU A 95 -1.434 -0.431 -8.673 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -3.003 2.162 -8.841 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -3.240 0.871 -7.680 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.734 2.564 -7.871 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -1.560 3.662 -5.826 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -2.657 3.918 -7.203 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -3.073 2.732 -5.943 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -0.223 1.596 -5.662 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.683 0.584 -5.774 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -0.343 0.343 -6.920 1.00 0.00 H new ATOM 1406 N LEU A 96 -3.658 -1.125 -9.742 1.00 0.00 N ATOM 1407 CA LEU A 96 -4.706 -1.726 -10.560 1.00 0.00 C ATOM 1408 C LEU A 96 -6.045 -1.705 -9.831 1.00 0.00 C ATOM 1409 O LEU A 96 -6.318 -2.558 -8.986 1.00 0.00 O ATOM 1410 CB LEU A 96 -4.334 -3.165 -10.925 1.00 0.00 C ATOM 1411 CG LEU A 96 -5.399 -3.964 -11.676 1.00 0.00 C ATOM 1412 CD1 LEU A 96 -5.778 -3.263 -12.971 1.00 0.00 C ATOM 1413 CD2 LEU A 96 -4.908 -5.376 -11.956 1.00 0.00 C ATOM 0 H LEU A 96 -3.564 -1.532 -8.812 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.801 -1.139 -11.473 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -3.430 -3.142 -11.533 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.088 -3.699 -10.007 1.00 0.00 H new ATOM 0 HG LEU A 96 -6.288 -4.028 -11.048 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -6.537 -3.846 -13.492 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -6.173 -2.272 -12.746 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -4.896 -3.167 -13.604 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -5.679 -5.930 -12.491 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -4.004 -5.333 -12.564 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -4.688 -5.878 -11.014 1.00 0.00 H new ATOM 1425 N VAL A 97 -6.879 -0.725 -10.165 1.00 0.00 N ATOM 1426 CA VAL A 97 -8.192 -0.594 -9.545 1.00 0.00 C ATOM 1427 C VAL A 97 -9.305 -0.740 -10.577 1.00 0.00 C ATOM 1428 O VAL A 97 -9.069 -0.621 -11.779 1.00 0.00 O ATOM 1429 CB VAL A 97 -8.343 0.762 -8.831 1.00 0.00 C ATOM 1430 CG1 VAL A 97 -7.283 0.919 -7.751 1.00 0.00 C ATOM 1431 CG2 VAL A 97 -8.267 1.903 -9.834 1.00 0.00 C ATOM 0 H VAL A 97 -6.668 -0.010 -10.862 1.00 0.00 H new ATOM 0 HA VAL A 97 -8.276 -1.394 -8.810 1.00 0.00 H new ATOM 0 HB VAL A 97 -9.322 0.794 -8.352 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -7.406 1.883 -7.258 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -7.390 0.120 -7.017 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -6.293 0.866 -8.203 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -8.376 2.854 -9.312 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -7.304 1.876 -10.343 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -9.067 1.798 -10.566 1.00 0.00 H new ATOM 1441 N ARG A 98 -10.518 -0.996 -10.099 1.00 0.00 N ATOM 1442 CA ARG A 98 -11.668 -1.159 -10.980 1.00 0.00 C ATOM 1443 C ARG A 98 -12.735 -0.110 -10.680 1.00 0.00 C ATOM 1444 O ARG A 98 -12.862 0.357 -9.548 1.00 0.00 O ATOM 1445 CB ARG A 98 -12.259 -2.562 -10.830 1.00 0.00 C ATOM 1446 CG ARG A 98 -12.609 -2.924 -9.396 1.00 0.00 C ATOM 1447 CD ARG A 98 -13.085 -4.364 -9.285 1.00 0.00 C ATOM 1448 NE ARG A 98 -13.638 -4.658 -7.966 1.00 0.00 N ATOM 1449 CZ ARG A 98 -14.369 -5.735 -7.699 1.00 0.00 C ATOM 1450 NH1 ARG A 98 -14.633 -6.615 -8.655 1.00 0.00 N ATOM 1451 NH2 ARG A 98 -14.837 -5.933 -6.474 1.00 0.00 N ATOM 0 H ARG A 98 -10.730 -1.095 -9.106 1.00 0.00 H new ATOM 0 HA ARG A 98 -11.329 -1.024 -12.007 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -13.156 -2.637 -11.444 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -11.546 -3.291 -11.216 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -11.736 -2.778 -8.759 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -13.386 -2.253 -9.030 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -13.842 -4.555 -10.046 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -12.252 -5.038 -9.487 1.00 0.00 H new ATOM 0 HE ARG A 98 -13.453 -4.001 -7.208 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -14.275 -6.466 -9.598 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -15.194 -7.441 -8.447 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -14.636 -5.258 -5.736 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -15.398 -6.760 -6.270 1.00 0.00 H new ATOM 1465 N THR A 99 -13.501 0.257 -11.703 1.00 0.00 N ATOM 1466 CA THR A 99 -14.556 1.250 -11.550 1.00 0.00 C ATOM 1467 C THR A 99 -15.775 0.893 -12.392 1.00 0.00 C ATOM 1468 O THR A 99 -15.710 0.018 -13.256 1.00 0.00 O ATOM 1469 CB THR A 99 -14.066 2.656 -11.948 1.00 0.00 C ATOM 1470 OG1 THR A 99 -15.072 3.629 -11.646 1.00 0.00 O ATOM 1471 CG2 THR A 99 -13.728 2.711 -13.430 1.00 0.00 C ATOM 0 H THR A 99 -13.410 -0.119 -12.647 1.00 0.00 H new ATOM 0 HA THR A 99 -14.835 1.254 -10.496 1.00 0.00 H new ATOM 0 HB THR A 99 -13.164 2.878 -11.377 1.00 0.00 H new ATOM 0 HG1 THR A 99 -14.752 4.520 -11.900 1.00 0.00 H new ATOM 0 HG21 THR A 99 -13.384 3.713 -13.688 1.00 0.00 H new ATOM 0 HG22 THR A 99 -12.941 1.990 -13.651 1.00 0.00 H new ATOM 0 HG23 THR A 99 -14.616 2.470 -14.015 1.00 0.00 H new ATOM 1479 N TYR A 100 -16.886 1.574 -12.136 1.00 0.00 N ATOM 1480 CA TYR A 100 -18.122 1.326 -12.870 1.00 0.00 C ATOM 1481 C TYR A 100 -18.082 1.991 -14.242 1.00 0.00 C ATOM 1482 O TYR A 100 -17.752 3.169 -14.381 1.00 0.00 O ATOM 1483 CB TYR A 100 -19.323 1.841 -12.076 1.00 0.00 C ATOM 1484 CG TYR A 100 -19.190 1.647 -10.582 1.00 0.00 C ATOM 1485 CD1 TYR A 100 -18.578 2.609 -9.788 1.00 0.00 C ATOM 1486 CD2 TYR A 100 -19.677 0.501 -9.965 1.00 0.00 C ATOM 1487 CE1 TYR A 100 -18.454 2.436 -8.424 1.00 0.00 C ATOM 1488 CE2 TYR A 100 -19.559 0.320 -8.600 1.00 0.00 C ATOM 1489 CZ TYR A 100 -18.946 1.290 -7.834 1.00 0.00 C ATOM 1490 OH TYR A 100 -18.825 1.114 -6.475 1.00 0.00 O ATOM 0 H TYR A 100 -16.957 2.302 -11.426 1.00 0.00 H new ATOM 0 HA TYR A 100 -18.223 0.250 -13.010 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -19.458 2.902 -12.285 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -20.222 1.331 -12.422 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -18.193 3.508 -10.246 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -20.156 -0.261 -10.562 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -17.974 3.194 -7.822 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -19.944 -0.576 -8.136 1.00 0.00 H new ATOM 0 HH TYR A 100 -19.224 0.256 -6.219 1.00 0.00 H new ATOM 1500 N PRO A 101 -18.428 1.218 -15.283 1.00 0.00 N ATOM 1501 CA PRO A 101 -18.442 1.710 -16.664 1.00 0.00 C ATOM 1502 C PRO A 101 -19.564 2.713 -16.910 1.00 0.00 C ATOM 1503 O PRO A 101 -20.620 2.643 -16.284 1.00 0.00 O ATOM 1504 CB PRO A 101 -18.669 0.441 -17.490 1.00 0.00 C ATOM 1505 CG PRO A 101 -19.369 -0.493 -16.564 1.00 0.00 C ATOM 1506 CD PRO A 101 -18.833 -0.195 -15.191 1.00 0.00 C ATOM 0 HA PRO A 101 -17.525 2.242 -16.917 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -19.271 0.647 -18.375 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -17.725 0.021 -17.838 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -20.448 -0.344 -16.602 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -19.180 -1.530 -16.840 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -19.591 -0.347 -14.422 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -17.990 -0.839 -14.940 1.00 0.00 H new ATOM 1514 N GLU A 102 -19.325 3.646 -17.827 1.00 0.00 N ATOM 1515 CA GLU A 102 -20.316 4.665 -18.155 1.00 0.00 C ATOM 1516 C GLU A 102 -20.794 4.514 -19.596 1.00 0.00 C ATOM 1517 O GLU A 102 -20.103 3.933 -20.434 1.00 0.00 O ATOM 1518 CB GLU A 102 -19.733 6.063 -17.943 1.00 0.00 C ATOM 1519 CG GLU A 102 -19.838 6.556 -16.510 1.00 0.00 C ATOM 1520 CD GLU A 102 -19.276 7.953 -16.331 1.00 0.00 C ATOM 1521 OE1 GLU A 102 -18.060 8.135 -16.548 1.00 0.00 O ATOM 1522 OE2 GLU A 102 -20.051 8.864 -15.973 1.00 0.00 O ATOM 0 H GLU A 102 -18.455 3.717 -18.355 1.00 0.00 H new ATOM 0 HA GLU A 102 -21.170 4.532 -17.491 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -18.685 6.059 -18.241 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -20.248 6.765 -18.598 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -20.884 6.547 -16.202 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -19.306 5.868 -15.853 1.00 0.00 H new ATOM 1529 N LEU A 103 -21.981 5.040 -19.878 1.00 0.00 N ATOM 1530 CA LEU A 103 -22.554 4.964 -21.217 1.00 0.00 C ATOM 1531 C LEU A 103 -21.691 5.721 -22.222 1.00 0.00 C ATOM 1532 O LEU A 103 -21.103 6.752 -21.896 1.00 0.00 O ATOM 1533 CB LEU A 103 -23.974 5.531 -21.219 1.00 0.00 C ATOM 1534 CG LEU A 103 -25.057 4.631 -20.624 1.00 0.00 C ATOM 1535 CD1 LEU A 103 -26.226 5.463 -20.120 1.00 0.00 C ATOM 1536 CD2 LEU A 103 -25.529 3.613 -21.653 1.00 0.00 C ATOM 0 H LEU A 103 -22.566 5.524 -19.197 1.00 0.00 H new ATOM 0 HA LEU A 103 -22.588 3.915 -21.512 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -23.969 6.472 -20.669 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -24.249 5.765 -22.248 1.00 0.00 H new ATOM 0 HG LEU A 103 -24.630 4.092 -19.778 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -26.987 4.805 -19.700 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -25.877 6.152 -19.351 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -26.653 6.029 -20.948 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -26.300 2.981 -21.212 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -25.938 4.134 -22.519 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -24.688 2.995 -21.966 1.00 0.00 H new ATOM 1548 N GLU A 104 -21.621 5.203 -23.444 1.00 0.00 N ATOM 1549 CA GLU A 104 -20.831 5.831 -24.496 1.00 0.00 C ATOM 1550 C GLU A 104 -19.518 6.374 -23.939 1.00 0.00 C ATOM 1551 O GLU A 104 -19.108 7.488 -24.264 1.00 0.00 O ATOM 1552 CB GLU A 104 -21.625 6.962 -25.154 1.00 0.00 C ATOM 1553 CG GLU A 104 -21.930 8.118 -24.217 1.00 0.00 C ATOM 1554 CD GLU A 104 -23.139 7.855 -23.341 1.00 0.00 C ATOM 1555 OE1 GLU A 104 -24.120 7.268 -23.843 1.00 0.00 O ATOM 1556 OE2 GLU A 104 -23.104 8.237 -22.152 1.00 0.00 O ATOM 0 H GLU A 104 -22.102 4.350 -23.730 1.00 0.00 H new ATOM 0 HA GLU A 104 -20.602 5.073 -25.245 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -21.064 7.338 -26.010 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -22.562 6.560 -25.538 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -21.062 8.307 -23.585 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -22.100 9.021 -24.803 1.00 0.00 H new ATOM 1563 N GLU A 105 -18.865 5.579 -23.098 1.00 0.00 N ATOM 1564 CA GLU A 105 -17.599 5.980 -22.495 1.00 0.00 C ATOM 1565 C GLU A 105 -16.529 4.914 -22.716 1.00 0.00 C ATOM 1566 O GLU A 105 -16.730 3.743 -22.399 1.00 0.00 O ATOM 1567 CB GLU A 105 -17.780 6.235 -20.998 1.00 0.00 C ATOM 1568 CG GLU A 105 -18.399 7.586 -20.680 1.00 0.00 C ATOM 1569 CD GLU A 105 -17.404 8.724 -20.793 1.00 0.00 C ATOM 1570 OE1 GLU A 105 -16.602 8.907 -19.853 1.00 0.00 O ATOM 1571 OE2 GLU A 105 -17.428 9.433 -21.821 1.00 0.00 O ATOM 0 H GLU A 105 -19.191 4.654 -22.819 1.00 0.00 H new ATOM 0 HA GLU A 105 -17.273 6.902 -22.976 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -18.408 5.449 -20.578 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -16.810 6.165 -20.506 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -19.233 7.768 -21.358 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -18.809 7.565 -19.670 1.00 0.00 H new ATOM 1578 N GLY A 106 -15.390 5.331 -23.261 1.00 0.00 N ATOM 1579 CA GLY A 106 -14.306 4.401 -23.515 1.00 0.00 C ATOM 1580 C GLY A 106 -13.084 5.081 -24.101 1.00 0.00 C ATOM 1581 O GLY A 106 -11.970 4.904 -23.609 1.00 0.00 O ATOM 0 H GLY A 106 -15.199 6.296 -23.531 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -14.031 3.905 -22.584 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -14.650 3.625 -24.199 1.00 0.00 H new ATOM 1585 N VAL A 107 -13.293 5.861 -25.157 1.00 0.00 N ATOM 1586 CA VAL A 107 -12.199 6.569 -25.812 1.00 0.00 C ATOM 1587 C VAL A 107 -12.323 8.076 -25.611 1.00 0.00 C ATOM 1588 O VAL A 107 -13.415 8.635 -25.694 1.00 0.00 O ATOM 1589 CB VAL A 107 -12.158 6.265 -27.322 1.00 0.00 C ATOM 1590 CG1 VAL A 107 -13.453 6.699 -27.990 1.00 0.00 C ATOM 1591 CG2 VAL A 107 -10.961 6.946 -27.969 1.00 0.00 C ATOM 0 H VAL A 107 -14.209 6.019 -25.577 1.00 0.00 H new ATOM 0 HA VAL A 107 -11.274 6.218 -25.353 1.00 0.00 H new ATOM 0 HB VAL A 107 -12.052 5.188 -27.456 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -13.405 6.476 -29.056 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -14.290 6.162 -27.544 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -13.594 7.771 -27.849 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -10.947 6.721 -29.035 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -11.035 8.024 -27.827 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -10.042 6.581 -27.509 1.00 0.00 H new ATOM 1601 N GLU A 108 -11.194 8.726 -25.348 1.00 0.00 N ATOM 1602 CA GLU A 108 -11.176 10.169 -25.135 1.00 0.00 C ATOM 1603 C GLU A 108 -9.784 10.739 -25.390 1.00 0.00 C ATOM 1604 O GLU A 108 -8.844 10.469 -24.642 1.00 0.00 O ATOM 1605 CB GLU A 108 -11.623 10.502 -23.710 1.00 0.00 C ATOM 1606 CG GLU A 108 -11.976 11.966 -23.510 1.00 0.00 C ATOM 1607 CD GLU A 108 -11.716 12.440 -22.094 1.00 0.00 C ATOM 1608 OE1 GLU A 108 -10.531 12.592 -21.728 1.00 0.00 O ATOM 1609 OE2 GLU A 108 -12.696 12.660 -21.351 1.00 0.00 O ATOM 0 H GLU A 108 -10.281 8.277 -25.277 1.00 0.00 H new ATOM 0 HA GLU A 108 -11.871 10.624 -25.841 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -12.489 9.890 -23.458 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -10.828 10.230 -23.016 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -11.397 12.574 -24.205 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -13.027 12.119 -23.753 1.00 0.00 H new ATOM 1616 N SER A 109 -9.660 11.530 -26.451 1.00 0.00 N ATOM 1617 CA SER A 109 -8.382 12.135 -26.808 1.00 0.00 C ATOM 1618 C SER A 109 -8.253 13.529 -26.202 1.00 0.00 C ATOM 1619 O SER A 109 -9.171 14.020 -25.545 1.00 0.00 O ATOM 1620 CB SER A 109 -8.237 12.213 -28.329 1.00 0.00 C ATOM 1621 OG SER A 109 -9.206 13.082 -28.890 1.00 0.00 O ATOM 0 H SER A 109 -10.429 11.767 -27.078 1.00 0.00 H new ATOM 0 HA SER A 109 -7.587 11.507 -26.406 1.00 0.00 H new ATOM 0 HB2 SER A 109 -7.237 12.565 -28.585 1.00 0.00 H new ATOM 0 HB3 SER A 109 -8.344 11.217 -28.759 1.00 0.00 H new ATOM 0 HG SER A 109 -9.091 13.116 -29.863 1.00 0.00 H new ATOM 1627 N GLY A 110 -7.106 14.163 -26.427 1.00 0.00 N ATOM 1628 CA GLY A 110 -6.877 15.494 -25.897 1.00 0.00 C ATOM 1629 C GLY A 110 -6.680 15.493 -24.394 1.00 0.00 C ATOM 1630 O GLY A 110 -7.629 15.637 -23.622 1.00 0.00 O ATOM 0 H GLY A 110 -6.331 13.778 -26.967 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -5.998 15.926 -26.375 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -7.723 16.133 -26.149 1.00 0.00 H new ATOM 1634 N PRO A 111 -5.423 15.327 -23.957 1.00 0.00 N ATOM 1635 CA PRO A 111 -5.076 15.303 -22.533 1.00 0.00 C ATOM 1636 C PRO A 111 -5.227 16.671 -21.877 1.00 0.00 C ATOM 1637 O PRO A 111 -5.128 17.703 -22.540 1.00 0.00 O ATOM 1638 CB PRO A 111 -3.608 14.869 -22.533 1.00 0.00 C ATOM 1639 CG PRO A 111 -3.089 15.287 -23.866 1.00 0.00 C ATOM 1640 CD PRO A 111 -4.243 15.150 -24.821 1.00 0.00 C ATOM 0 HA PRO A 111 -5.730 14.642 -21.965 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -3.054 15.347 -21.725 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -3.513 13.792 -22.391 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -2.725 16.314 -23.839 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -2.252 14.660 -24.173 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -4.205 15.903 -25.608 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -4.246 14.176 -25.311 1.00 0.00 H new ATOM 1648 N SER A 112 -5.467 16.671 -20.569 1.00 0.00 N ATOM 1649 CA SER A 112 -5.636 17.913 -19.823 1.00 0.00 C ATOM 1650 C SER A 112 -4.706 18.998 -20.359 1.00 0.00 C ATOM 1651 O SER A 112 -3.485 18.842 -20.356 1.00 0.00 O ATOM 1652 CB SER A 112 -5.363 17.680 -18.336 1.00 0.00 C ATOM 1653 OG SER A 112 -3.976 17.530 -18.089 1.00 0.00 O ATOM 0 H SER A 112 -5.549 15.825 -20.005 1.00 0.00 H new ATOM 0 HA SER A 112 -6.666 18.247 -19.948 1.00 0.00 H new ATOM 0 HB2 SER A 112 -5.750 18.518 -17.756 1.00 0.00 H new ATOM 0 HB3 SER A 112 -5.894 16.789 -18.001 1.00 0.00 H new ATOM 0 HG SER A 112 -3.470 17.816 -18.878 1.00 0.00 H new ATOM 1659 N SER A 113 -5.294 20.099 -20.817 1.00 0.00 N ATOM 1660 CA SER A 113 -4.520 21.209 -21.359 1.00 0.00 C ATOM 1661 C SER A 113 -3.931 22.059 -20.238 1.00 0.00 C ATOM 1662 O SER A 113 -4.107 21.759 -19.058 1.00 0.00 O ATOM 1663 CB SER A 113 -5.398 22.076 -22.264 1.00 0.00 C ATOM 1664 OG SER A 113 -6.440 22.692 -21.527 1.00 0.00 O ATOM 0 H SER A 113 -6.303 20.246 -20.823 1.00 0.00 H new ATOM 0 HA SER A 113 -3.700 20.796 -21.947 1.00 0.00 H new ATOM 0 HB2 SER A 113 -4.787 22.840 -22.744 1.00 0.00 H new ATOM 0 HB3 SER A 113 -5.824 21.463 -23.058 1.00 0.00 H new ATOM 0 HG SER A 113 -6.985 23.241 -22.128 1.00 0.00 H new ATOM 1670 N GLY A 114 -3.229 23.124 -20.617 1.00 0.00 N ATOM 1671 CA GLY A 114 -2.624 24.002 -19.632 1.00 0.00 C ATOM 1672 C GLY A 114 -3.633 24.925 -18.980 1.00 0.00 C ATOM 1673 O GLY A 114 -3.405 25.427 -17.879 1.00 0.00 O ATOM 0 H GLY A 114 -3.069 23.394 -21.588 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -2.137 23.401 -18.864 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -1.847 24.598 -20.110 1.00 0.00 H new TER 1677 GLY A 114