USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 671 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 16 GLN : amide:sc= -3.37! C(o=-4.8!,f=-8.3!) USER MOD Set 1.2: A 60 CYS SG : rot -170:sc= -1.44 USER MOD Single : A 1 GLY N :NH3+ 154:sc= 0.00223 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.028 USER MOD Single : A 3 SER OG : rot 180:sc=-0.00614 USER MOD Single : A 5 SER OG : rot 180:sc= -0.043 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 7:sc= 0.208 USER MOD Single : A 11 SER OG : rot 140:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.342 USER MOD Single : A 14 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0343) USER MOD Single : A 25 ASN : amide:sc= 0.411 K(o=0.41,f=-0.33) USER MOD Single : A 26 SER OG : rot 42:sc= 0.389 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot -110:sc= -1.54 USER MOD Single : A 32 MET CE :methyl 151:sc= 0 (180deg=-0.84) USER MOD Single : A 36 LYS NZ :NH3+ -159:sc= -0.0661 (180deg=-0.437) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= 0.0578 X(o=0.058,f=-0.049) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 HIS : no HD1:sc= -4.56! C(o=-4.6!,f=-11!) USER MOD Single : A 59 LYS NZ :NH3+ -153:sc= -0.671 (180deg=-1.7!) USER MOD Single : A 65 SER OG : rot 167:sc= 1.21 USER MOD Single : A 70 LYS NZ :NH3+ 166:sc=-0.00775 (180deg=-0.197) USER MOD Single : A 74 ASN : amide:sc= -0.178 X(o=-0.18,f=0) USER MOD Single : A 77 THR OG1 : rot 80:sc= 0.0169 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= -0.0466 X(o=-0.047,f=0) USER MOD Single : A 84 LYS NZ :NH3+ -128:sc= 0 (180deg=-0.643) USER MOD Single : A 85 SER OG : rot 77:sc= 0.451 USER MOD Single : A 88 SER OG : rot 140:sc= -0.062 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -35.720 -28.634 -7.196 1.00 0.00 N ATOM 2 CA GLY A 1 -36.744 -27.917 -6.459 1.00 0.00 C ATOM 3 C GLY A 1 -36.916 -26.492 -6.943 1.00 0.00 C ATOM 4 O GLY A 1 -35.939 -25.816 -7.265 1.00 0.00 O ATOM 0 H1 GLY A 1 -35.329 -29.391 -6.600 1.00 0.00 H new ATOM 0 H2 GLY A 1 -36.136 -29.050 -8.054 1.00 0.00 H new ATOM 0 H3 GLY A 1 -34.960 -27.976 -7.464 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -37.692 -28.446 -6.553 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -36.487 -27.909 -5.400 1.00 0.00 H new ATOM 8 N SER A 2 -38.163 -26.033 -6.998 1.00 0.00 N ATOM 9 CA SER A 2 -38.461 -24.680 -7.452 1.00 0.00 C ATOM 10 C SER A 2 -37.447 -23.685 -6.896 1.00 0.00 C ATOM 11 O SER A 2 -36.929 -22.838 -7.624 1.00 0.00 O ATOM 12 CB SER A 2 -39.874 -24.277 -7.028 1.00 0.00 C ATOM 13 OG SER A 2 -40.016 -24.321 -5.619 1.00 0.00 O ATOM 0 H SER A 2 -38.983 -26.579 -6.734 1.00 0.00 H new ATOM 0 HA SER A 2 -38.398 -24.666 -8.540 1.00 0.00 H new ATOM 0 HB2 SER A 2 -40.092 -23.271 -7.387 1.00 0.00 H new ATOM 0 HB3 SER A 2 -40.600 -24.945 -7.491 1.00 0.00 H new ATOM 0 HG SER A 2 -40.927 -24.057 -5.374 1.00 0.00 H new ATOM 19 N SER A 3 -37.170 -23.793 -5.601 1.00 0.00 N ATOM 20 CA SER A 3 -36.222 -22.901 -4.944 1.00 0.00 C ATOM 21 C SER A 3 -34.916 -23.627 -4.637 1.00 0.00 C ATOM 22 O SER A 3 -34.898 -24.843 -4.448 1.00 0.00 O ATOM 23 CB SER A 3 -36.824 -22.343 -3.654 1.00 0.00 C ATOM 24 OG SER A 3 -35.853 -21.634 -2.903 1.00 0.00 O ATOM 0 H SER A 3 -37.589 -24.490 -4.985 1.00 0.00 H new ATOM 0 HA SER A 3 -36.008 -22.076 -5.623 1.00 0.00 H new ATOM 0 HB2 SER A 3 -37.657 -21.682 -3.894 1.00 0.00 H new ATOM 0 HB3 SER A 3 -37.227 -23.159 -3.054 1.00 0.00 H new ATOM 0 HG SER A 3 -36.263 -21.286 -2.084 1.00 0.00 H new ATOM 30 N GLY A 4 -33.823 -22.872 -4.589 1.00 0.00 N ATOM 31 CA GLY A 4 -32.527 -23.459 -4.305 1.00 0.00 C ATOM 32 C GLY A 4 -31.422 -22.866 -5.156 1.00 0.00 C ATOM 33 O GLY A 4 -30.599 -23.593 -5.713 1.00 0.00 O ATOM 0 H GLY A 4 -33.812 -21.864 -4.742 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -32.288 -23.312 -3.252 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -32.574 -24.535 -4.474 1.00 0.00 H new ATOM 37 N SER A 5 -31.403 -21.541 -5.258 1.00 0.00 N ATOM 38 CA SER A 5 -30.394 -20.850 -6.053 1.00 0.00 C ATOM 39 C SER A 5 -29.365 -20.172 -5.153 1.00 0.00 C ATOM 40 O SER A 5 -29.529 -20.118 -3.934 1.00 0.00 O ATOM 41 CB SER A 5 -31.053 -19.813 -6.963 1.00 0.00 C ATOM 42 OG SER A 5 -30.141 -19.335 -7.937 1.00 0.00 O ATOM 0 H SER A 5 -32.074 -20.924 -4.800 1.00 0.00 H new ATOM 0 HA SER A 5 -29.883 -21.590 -6.669 1.00 0.00 H new ATOM 0 HB2 SER A 5 -31.918 -20.256 -7.457 1.00 0.00 H new ATOM 0 HB3 SER A 5 -31.420 -18.980 -6.364 1.00 0.00 H new ATOM 0 HG SER A 5 -30.588 -18.675 -8.507 1.00 0.00 H new ATOM 48 N SER A 6 -28.303 -19.656 -5.763 1.00 0.00 N ATOM 49 CA SER A 6 -27.244 -18.984 -5.018 1.00 0.00 C ATOM 50 C SER A 6 -26.930 -17.622 -5.629 1.00 0.00 C ATOM 51 O SER A 6 -27.438 -17.275 -6.695 1.00 0.00 O ATOM 52 CB SER A 6 -25.982 -19.848 -4.995 1.00 0.00 C ATOM 53 OG SER A 6 -26.031 -20.795 -3.941 1.00 0.00 O ATOM 0 H SER A 6 -28.153 -19.690 -6.771 1.00 0.00 H new ATOM 0 HA SER A 6 -27.592 -18.833 -3.996 1.00 0.00 H new ATOM 0 HB2 SER A 6 -25.874 -20.365 -5.948 1.00 0.00 H new ATOM 0 HB3 SER A 6 -25.104 -19.212 -4.876 1.00 0.00 H new ATOM 0 HG SER A 6 -25.214 -21.336 -3.949 1.00 0.00 H new ATOM 59 N GLY A 7 -26.089 -16.853 -4.944 1.00 0.00 N ATOM 60 CA GLY A 7 -25.721 -15.537 -5.433 1.00 0.00 C ATOM 61 C GLY A 7 -26.929 -14.674 -5.740 1.00 0.00 C ATOM 62 O GLY A 7 -27.103 -14.217 -6.870 1.00 0.00 O ATOM 0 H GLY A 7 -25.656 -17.118 -4.059 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -25.101 -15.037 -4.689 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -25.116 -15.643 -6.333 1.00 0.00 H new ATOM 66 N SER A 8 -27.767 -14.452 -4.732 1.00 0.00 N ATOM 67 CA SER A 8 -28.968 -13.642 -4.902 1.00 0.00 C ATOM 68 C SER A 8 -28.617 -12.253 -5.426 1.00 0.00 C ATOM 69 O SER A 8 -29.105 -11.832 -6.475 1.00 0.00 O ATOM 70 CB SER A 8 -29.720 -13.524 -3.575 1.00 0.00 C ATOM 71 OG SER A 8 -30.933 -12.811 -3.738 1.00 0.00 O ATOM 0 H SER A 8 -27.637 -14.821 -3.790 1.00 0.00 H new ATOM 0 HA SER A 8 -29.609 -14.135 -5.633 1.00 0.00 H new ATOM 0 HB2 SER A 8 -29.929 -14.519 -3.182 1.00 0.00 H new ATOM 0 HB3 SER A 8 -29.093 -13.017 -2.842 1.00 0.00 H new ATOM 0 HG SER A 8 -31.395 -12.751 -2.876 1.00 0.00 H new ATOM 77 N SER A 9 -27.768 -11.546 -4.688 1.00 0.00 N ATOM 78 CA SER A 9 -27.354 -10.202 -5.076 1.00 0.00 C ATOM 79 C SER A 9 -25.925 -9.922 -4.622 1.00 0.00 C ATOM 80 O SER A 9 -25.574 -10.145 -3.464 1.00 0.00 O ATOM 81 CB SER A 9 -28.304 -9.161 -4.479 1.00 0.00 C ATOM 82 OG SER A 9 -29.547 -9.156 -5.160 1.00 0.00 O ATOM 0 H SER A 9 -27.353 -11.881 -3.818 1.00 0.00 H new ATOM 0 HA SER A 9 -27.391 -10.136 -6.163 1.00 0.00 H new ATOM 0 HB2 SER A 9 -28.465 -9.375 -3.422 1.00 0.00 H new ATOM 0 HB3 SER A 9 -27.849 -8.172 -4.538 1.00 0.00 H new ATOM 0 HG SER A 9 -29.574 -9.901 -5.796 1.00 0.00 H new ATOM 88 N ALA A 10 -25.103 -9.432 -5.545 1.00 0.00 N ATOM 89 CA ALA A 10 -23.712 -9.119 -5.240 1.00 0.00 C ATOM 90 C ALA A 10 -23.482 -7.611 -5.211 1.00 0.00 C ATOM 91 O ALA A 10 -23.869 -6.897 -6.136 1.00 0.00 O ATOM 92 CB ALA A 10 -22.789 -9.776 -6.256 1.00 0.00 C ATOM 0 H ALA A 10 -25.376 -9.243 -6.509 1.00 0.00 H new ATOM 0 HA ALA A 10 -23.485 -9.514 -4.250 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -21.753 -9.534 -6.017 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -22.925 -10.857 -6.226 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -23.026 -9.408 -7.254 1.00 0.00 H new ATOM 98 N SER A 11 -22.851 -7.134 -4.143 1.00 0.00 N ATOM 99 CA SER A 11 -22.574 -5.711 -3.992 1.00 0.00 C ATOM 100 C SER A 11 -21.236 -5.347 -4.628 1.00 0.00 C ATOM 101 O SER A 11 -21.131 -4.364 -5.362 1.00 0.00 O ATOM 102 CB SER A 11 -22.570 -5.325 -2.511 1.00 0.00 C ATOM 103 OG SER A 11 -22.079 -4.008 -2.329 1.00 0.00 O ATOM 0 H SER A 11 -22.522 -7.712 -3.370 1.00 0.00 H new ATOM 0 HA SER A 11 -23.361 -5.157 -4.503 1.00 0.00 H new ATOM 0 HB2 SER A 11 -23.581 -5.398 -2.110 1.00 0.00 H new ATOM 0 HB3 SER A 11 -21.953 -6.027 -1.950 1.00 0.00 H new ATOM 0 HG SER A 11 -22.611 -3.552 -1.643 1.00 0.00 H new ATOM 109 N PHE A 12 -20.215 -6.147 -4.341 1.00 0.00 N ATOM 110 CA PHE A 12 -18.882 -5.911 -4.883 1.00 0.00 C ATOM 111 C PHE A 12 -18.671 -6.700 -6.172 1.00 0.00 C ATOM 112 O PHE A 12 -19.535 -7.471 -6.590 1.00 0.00 O ATOM 113 CB PHE A 12 -17.815 -6.295 -3.856 1.00 0.00 C ATOM 114 CG PHE A 12 -18.004 -7.669 -3.280 1.00 0.00 C ATOM 115 CD1 PHE A 12 -17.877 -8.794 -4.080 1.00 0.00 C ATOM 116 CD2 PHE A 12 -18.310 -7.837 -1.939 1.00 0.00 C ATOM 117 CE1 PHE A 12 -18.052 -10.059 -3.552 1.00 0.00 C ATOM 118 CE2 PHE A 12 -18.485 -9.100 -1.406 1.00 0.00 C ATOM 119 CZ PHE A 12 -18.355 -10.212 -2.214 1.00 0.00 C ATOM 0 H PHE A 12 -20.285 -6.965 -3.736 1.00 0.00 H new ATOM 0 HA PHE A 12 -18.792 -4.849 -5.110 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -16.833 -6.239 -4.326 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -17.823 -5.566 -3.046 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -17.639 -8.681 -5.127 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -18.413 -6.970 -1.303 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -17.952 -10.928 -4.186 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -18.723 -9.217 -0.359 1.00 0.00 H new ATOM 0 HZ PHE A 12 -18.490 -11.200 -1.800 1.00 0.00 H new ATOM 129 N THR A 13 -17.516 -6.500 -6.799 1.00 0.00 N ATOM 130 CA THR A 13 -17.191 -7.190 -8.040 1.00 0.00 C ATOM 131 C THR A 13 -16.238 -8.353 -7.790 1.00 0.00 C ATOM 132 O THR A 13 -15.769 -8.555 -6.670 1.00 0.00 O ATOM 133 CB THR A 13 -16.556 -6.232 -9.066 1.00 0.00 C ATOM 134 OG1 THR A 13 -15.338 -5.691 -8.542 1.00 0.00 O ATOM 135 CG2 THR A 13 -17.511 -5.101 -9.414 1.00 0.00 C ATOM 0 H THR A 13 -16.790 -5.865 -6.467 1.00 0.00 H new ATOM 0 HA THR A 13 -18.129 -7.573 -8.443 1.00 0.00 H new ATOM 0 HB THR A 13 -16.342 -6.797 -9.973 1.00 0.00 H new ATOM 0 HG1 THR A 13 -14.939 -5.084 -9.201 1.00 0.00 H new ATOM 0 HG21 THR A 13 -17.040 -4.438 -10.140 1.00 0.00 H new ATOM 0 HG22 THR A 13 -18.425 -5.515 -9.840 1.00 0.00 H new ATOM 0 HG23 THR A 13 -17.753 -4.539 -8.512 1.00 0.00 H new ATOM 143 N LYS A 14 -15.954 -9.116 -8.840 1.00 0.00 N ATOM 144 CA LYS A 14 -15.055 -10.259 -8.735 1.00 0.00 C ATOM 145 C LYS A 14 -13.643 -9.809 -8.373 1.00 0.00 C ATOM 146 O LYS A 14 -13.005 -10.386 -7.493 1.00 0.00 O ATOM 147 CB LYS A 14 -15.031 -11.038 -10.053 1.00 0.00 C ATOM 148 CG LYS A 14 -16.395 -11.554 -10.479 1.00 0.00 C ATOM 149 CD LYS A 14 -16.286 -12.511 -11.654 1.00 0.00 C ATOM 150 CE LYS A 14 -16.141 -11.762 -12.970 1.00 0.00 C ATOM 151 NZ LYS A 14 -17.434 -11.181 -13.424 1.00 0.00 N ATOM 0 H LYS A 14 -16.334 -8.963 -9.774 1.00 0.00 H new ATOM 0 HA LYS A 14 -15.425 -10.909 -7.942 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -14.633 -10.395 -10.838 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -14.347 -11.881 -9.955 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -16.872 -12.060 -9.640 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -17.034 -10.714 -10.751 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -15.428 -13.168 -11.511 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -17.171 -13.146 -11.691 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -15.406 -10.966 -12.855 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -15.760 -12.440 -13.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -17.324 -10.798 -14.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -18.165 -11.921 -13.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -17.718 -10.418 -12.777 1.00 0.00 H new ATOM 165 N GLU A 15 -13.163 -8.775 -9.057 1.00 0.00 N ATOM 166 CA GLU A 15 -11.827 -8.248 -8.805 1.00 0.00 C ATOM 167 C GLU A 15 -11.595 -8.044 -7.311 1.00 0.00 C ATOM 168 O GLU A 15 -10.667 -8.611 -6.734 1.00 0.00 O ATOM 169 CB GLU A 15 -11.627 -6.926 -9.549 1.00 0.00 C ATOM 170 CG GLU A 15 -11.067 -7.095 -10.951 1.00 0.00 C ATOM 171 CD GLU A 15 -12.089 -7.647 -11.925 1.00 0.00 C ATOM 172 OE1 GLU A 15 -12.222 -8.885 -12.008 1.00 0.00 O ATOM 173 OE2 GLU A 15 -12.757 -6.839 -12.605 1.00 0.00 O ATOM 0 H GLU A 15 -13.679 -8.286 -9.789 1.00 0.00 H new ATOM 0 HA GLU A 15 -11.103 -8.976 -9.171 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -12.582 -6.405 -9.609 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -10.954 -6.292 -8.972 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -10.709 -6.132 -11.314 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -10.206 -7.763 -10.916 1.00 0.00 H new ATOM 180 N GLN A 16 -12.444 -7.231 -6.692 1.00 0.00 N ATOM 181 CA GLN A 16 -12.331 -6.952 -5.265 1.00 0.00 C ATOM 182 C GLN A 16 -12.247 -8.245 -4.462 1.00 0.00 C ATOM 183 O GLN A 16 -11.228 -8.532 -3.834 1.00 0.00 O ATOM 184 CB GLN A 16 -13.524 -6.120 -4.791 1.00 0.00 C ATOM 185 CG GLN A 16 -13.747 -4.856 -5.606 1.00 0.00 C ATOM 186 CD GLN A 16 -14.771 -3.930 -4.979 1.00 0.00 C ATOM 187 OE1 GLN A 16 -15.924 -4.310 -4.772 1.00 0.00 O ATOM 188 NE2 GLN A 16 -14.354 -2.707 -4.672 1.00 0.00 N ATOM 0 H GLN A 16 -13.217 -6.754 -7.155 1.00 0.00 H new ATOM 0 HA GLN A 16 -11.414 -6.385 -5.103 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -14.424 -6.733 -4.834 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -13.374 -5.847 -3.746 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -12.801 -4.326 -5.713 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -14.075 -5.128 -6.609 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -13.389 -2.435 -4.861 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -14.998 -2.040 -4.247 1.00 0.00 H new ATOM 197 N ALA A 17 -13.325 -9.022 -4.485 1.00 0.00 N ATOM 198 CA ALA A 17 -13.372 -10.286 -3.760 1.00 0.00 C ATOM 199 C ALA A 17 -12.101 -11.097 -3.988 1.00 0.00 C ATOM 200 O ALA A 17 -11.539 -11.665 -3.051 1.00 0.00 O ATOM 201 CB ALA A 17 -14.595 -11.089 -4.178 1.00 0.00 C ATOM 0 H ALA A 17 -14.178 -8.798 -4.998 1.00 0.00 H new ATOM 0 HA ALA A 17 -13.444 -10.063 -2.695 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -14.617 -12.030 -3.629 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -15.497 -10.519 -3.958 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -14.548 -11.294 -5.247 1.00 0.00 H new ATOM 207 N ASP A 18 -11.653 -11.147 -5.238 1.00 0.00 N ATOM 208 CA ASP A 18 -10.447 -11.889 -5.589 1.00 0.00 C ATOM 209 C ASP A 18 -9.226 -11.304 -4.887 1.00 0.00 C ATOM 210 O ASP A 18 -8.254 -12.010 -4.619 1.00 0.00 O ATOM 211 CB ASP A 18 -10.236 -11.874 -7.104 1.00 0.00 C ATOM 212 CG ASP A 18 -11.144 -12.851 -7.824 1.00 0.00 C ATOM 213 OD1 ASP A 18 -10.933 -14.073 -7.681 1.00 0.00 O ATOM 214 OD2 ASP A 18 -12.066 -12.393 -8.532 1.00 0.00 O ATOM 0 H ASP A 18 -12.107 -10.683 -6.025 1.00 0.00 H new ATOM 0 HA ASP A 18 -10.575 -12.920 -5.258 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -10.416 -10.868 -7.483 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -9.197 -12.117 -7.326 1.00 0.00 H new ATOM 219 N ALA A 19 -9.282 -10.009 -4.592 1.00 0.00 N ATOM 220 CA ALA A 19 -8.181 -9.330 -3.921 1.00 0.00 C ATOM 221 C ALA A 19 -8.081 -9.757 -2.461 1.00 0.00 C ATOM 222 O ALA A 19 -7.007 -10.129 -1.986 1.00 0.00 O ATOM 223 CB ALA A 19 -8.353 -7.821 -4.021 1.00 0.00 C ATOM 0 H ALA A 19 -10.079 -9.409 -4.807 1.00 0.00 H new ATOM 0 HA ALA A 19 -7.254 -9.613 -4.419 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.524 -7.326 -3.516 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -8.367 -7.525 -5.070 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -9.291 -7.530 -3.549 1.00 0.00 H new ATOM 229 N ILE A 20 -9.205 -9.701 -1.754 1.00 0.00 N ATOM 230 CA ILE A 20 -9.242 -10.084 -0.348 1.00 0.00 C ATOM 231 C ILE A 20 -8.793 -11.528 -0.159 1.00 0.00 C ATOM 232 O ILE A 20 -7.921 -11.815 0.662 1.00 0.00 O ATOM 233 CB ILE A 20 -10.655 -9.916 0.243 1.00 0.00 C ATOM 234 CG1 ILE A 20 -11.089 -8.450 0.173 1.00 0.00 C ATOM 235 CG2 ILE A 20 -10.690 -10.416 1.679 1.00 0.00 C ATOM 236 CD1 ILE A 20 -11.824 -8.098 -1.101 1.00 0.00 C ATOM 0 H ILE A 20 -10.101 -9.394 -2.132 1.00 0.00 H new ATOM 0 HA ILE A 20 -8.555 -9.421 0.178 1.00 0.00 H new ATOM 0 HB ILE A 20 -11.353 -10.511 -0.346 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -11.730 -8.228 1.026 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -10.208 -7.814 0.262 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -11.694 -10.291 2.083 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -10.418 -11.471 1.704 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -9.983 -9.845 2.281 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -12.101 -7.044 -1.082 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -11.178 -8.288 -1.958 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -12.723 -8.708 -1.183 1.00 0.00 H new ATOM 248 N ARG A 21 -9.392 -12.434 -0.925 1.00 0.00 N ATOM 249 CA ARG A 21 -9.053 -13.849 -0.842 1.00 0.00 C ATOM 250 C ARG A 21 -7.557 -14.063 -1.054 1.00 0.00 C ATOM 251 O ARG A 21 -6.947 -14.924 -0.420 1.00 0.00 O ATOM 252 CB ARG A 21 -9.845 -14.647 -1.880 1.00 0.00 C ATOM 253 CG ARG A 21 -9.116 -14.819 -3.202 1.00 0.00 C ATOM 254 CD ARG A 21 -9.993 -15.506 -4.237 1.00 0.00 C ATOM 255 NE ARG A 21 -9.212 -16.041 -5.349 1.00 0.00 N ATOM 256 CZ ARG A 21 -8.586 -17.212 -5.310 1.00 0.00 C ATOM 257 NH1 ARG A 21 -8.650 -17.966 -4.221 1.00 0.00 N ATOM 258 NH2 ARG A 21 -7.895 -17.631 -6.362 1.00 0.00 N ATOM 0 H ARG A 21 -10.115 -12.213 -1.610 1.00 0.00 H new ATOM 0 HA ARG A 21 -9.316 -14.202 0.155 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -10.075 -15.631 -1.471 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -10.796 -14.147 -2.062 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -8.805 -13.844 -3.577 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -8.210 -15.404 -3.045 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -10.548 -16.315 -3.762 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -10.727 -14.796 -4.618 1.00 0.00 H new ATOM 0 HE ARG A 21 -9.143 -15.485 -6.202 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -9.181 -17.647 -3.410 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -8.168 -18.865 -4.194 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -7.844 -17.054 -7.202 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -7.415 -18.530 -6.331 1.00 0.00 H new ATOM 272 N ARG A 22 -6.973 -13.275 -1.951 1.00 0.00 N ATOM 273 CA ARG A 22 -5.550 -13.379 -2.248 1.00 0.00 C ATOM 274 C ARG A 22 -4.713 -12.821 -1.100 1.00 0.00 C ATOM 275 O ARG A 22 -3.678 -13.386 -0.742 1.00 0.00 O ATOM 276 CB ARG A 22 -5.221 -12.634 -3.542 1.00 0.00 C ATOM 277 CG ARG A 22 -5.545 -13.424 -4.799 1.00 0.00 C ATOM 278 CD ARG A 22 -4.427 -14.394 -5.151 1.00 0.00 C ATOM 279 NE ARG A 22 -4.539 -14.885 -6.522 1.00 0.00 N ATOM 280 CZ ARG A 22 -3.681 -15.737 -7.070 1.00 0.00 C ATOM 281 NH1 ARG A 22 -2.652 -16.191 -6.367 1.00 0.00 N ATOM 282 NH2 ARG A 22 -3.850 -16.138 -8.323 1.00 0.00 N ATOM 0 H ARG A 22 -7.464 -12.558 -2.485 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.307 -14.434 -2.373 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -5.774 -11.695 -3.561 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -4.161 -12.380 -3.546 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -6.474 -13.975 -4.654 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -5.708 -12.737 -5.630 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -3.464 -13.900 -5.021 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -4.449 -15.238 -4.461 1.00 0.00 H new ATOM 0 HE ARG A 22 -5.320 -14.555 -7.090 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -2.518 -15.886 -5.403 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -1.994 -16.846 -6.790 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -4.640 -15.792 -8.867 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -3.190 -16.793 -8.742 1.00 0.00 H new ATOM 296 N ILE A 23 -5.167 -11.711 -0.529 1.00 0.00 N ATOM 297 CA ILE A 23 -4.460 -11.078 0.578 1.00 0.00 C ATOM 298 C ILE A 23 -4.281 -12.047 1.742 1.00 0.00 C ATOM 299 O ILE A 23 -3.200 -12.142 2.322 1.00 0.00 O ATOM 300 CB ILE A 23 -5.204 -9.825 1.077 1.00 0.00 C ATOM 301 CG1 ILE A 23 -5.082 -8.692 0.056 1.00 0.00 C ATOM 302 CG2 ILE A 23 -4.657 -9.388 2.428 1.00 0.00 C ATOM 303 CD1 ILE A 23 -5.887 -7.464 0.417 1.00 0.00 C ATOM 0 H ILE A 23 -6.021 -11.231 -0.814 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.481 -10.783 0.200 1.00 0.00 H new ATOM 0 HB ILE A 23 -6.259 -10.070 1.195 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -4.033 -8.413 -0.041 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -5.407 -9.056 -0.919 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -5.192 -8.501 2.768 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -4.790 -10.192 3.152 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.596 -9.157 2.333 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -5.753 -6.702 -0.351 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.942 -7.728 0.486 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -5.547 -7.075 1.377 1.00 0.00 H new ATOM 315 N ARG A 24 -5.348 -12.765 2.076 1.00 0.00 N ATOM 316 CA ARG A 24 -5.309 -13.727 3.171 1.00 0.00 C ATOM 317 C ARG A 24 -4.585 -15.002 2.748 1.00 0.00 C ATOM 318 O ARG A 24 -3.939 -15.659 3.562 1.00 0.00 O ATOM 319 CB ARG A 24 -6.728 -14.063 3.634 1.00 0.00 C ATOM 320 CG ARG A 24 -7.726 -12.941 3.400 1.00 0.00 C ATOM 321 CD ARG A 24 -8.809 -12.928 4.468 1.00 0.00 C ATOM 322 NE ARG A 24 -8.273 -12.604 5.787 1.00 0.00 N ATOM 323 CZ ARG A 24 -8.864 -12.948 6.926 1.00 0.00 C ATOM 324 NH1 ARG A 24 -10.005 -13.623 6.907 1.00 0.00 N ATOM 325 NH2 ARG A 24 -8.314 -12.617 8.087 1.00 0.00 N ATOM 0 H ARG A 24 -6.250 -12.699 1.604 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.762 -13.276 3.999 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -7.070 -14.957 3.112 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -6.707 -14.304 4.697 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.205 -11.984 3.397 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.183 -13.058 2.418 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.575 -12.200 4.199 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.295 -13.903 4.504 1.00 0.00 H new ATOM 0 HE ARG A 24 -7.396 -12.085 5.837 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -10.431 -13.879 6.016 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -10.457 -13.886 7.783 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -7.436 -12.098 8.106 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -8.769 -12.882 8.961 1.00 0.00 H new ATOM 339 N ASN A 25 -4.699 -15.345 1.469 1.00 0.00 N ATOM 340 CA ASN A 25 -4.057 -16.541 0.938 1.00 0.00 C ATOM 341 C ASN A 25 -2.713 -16.200 0.302 1.00 0.00 C ATOM 342 O ASN A 25 -2.152 -16.995 -0.452 1.00 0.00 O ATOM 343 CB ASN A 25 -4.964 -17.219 -0.092 1.00 0.00 C ATOM 344 CG ASN A 25 -6.166 -17.887 0.548 1.00 0.00 C ATOM 345 OD1 ASN A 25 -6.263 -19.113 0.581 1.00 0.00 O ATOM 346 ND2 ASN A 25 -7.089 -17.080 1.058 1.00 0.00 N ATOM 0 H ASN A 25 -5.230 -14.811 0.781 1.00 0.00 H new ATOM 0 HA ASN A 25 -3.883 -17.228 1.767 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -5.305 -16.478 -0.815 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -4.390 -17.963 -0.644 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -7.921 -17.471 1.500 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -6.966 -16.069 1.008 1.00 0.00 H new ATOM 353 N SER A 26 -2.202 -15.013 0.612 1.00 0.00 N ATOM 354 CA SER A 26 -0.925 -14.565 0.068 1.00 0.00 C ATOM 355 C SER A 26 0.239 -15.179 0.840 1.00 0.00 C ATOM 356 O SER A 26 0.088 -15.594 1.989 1.00 0.00 O ATOM 357 CB SER A 26 -0.834 -13.038 0.115 1.00 0.00 C ATOM 358 OG SER A 26 -1.431 -12.457 -1.031 1.00 0.00 O ATOM 0 H SER A 26 -2.652 -14.344 1.237 1.00 0.00 H new ATOM 0 HA SER A 26 -0.864 -14.894 -0.969 1.00 0.00 H new ATOM 0 HB2 SER A 26 -1.328 -12.668 1.013 1.00 0.00 H new ATOM 0 HB3 SER A 26 0.211 -12.734 0.178 1.00 0.00 H new ATOM 0 HG SER A 26 -2.265 -12.928 -1.240 1.00 0.00 H new ATOM 364 N LYS A 27 1.402 -15.233 0.200 1.00 0.00 N ATOM 365 CA LYS A 27 2.595 -15.794 0.824 1.00 0.00 C ATOM 366 C LYS A 27 3.556 -14.690 1.251 1.00 0.00 C ATOM 367 O LYS A 27 4.472 -14.922 2.039 1.00 0.00 O ATOM 368 CB LYS A 27 3.297 -16.752 -0.141 1.00 0.00 C ATOM 369 CG LYS A 27 2.346 -17.481 -1.075 1.00 0.00 C ATOM 370 CD LYS A 27 1.713 -18.685 -0.398 1.00 0.00 C ATOM 371 CE LYS A 27 0.892 -19.508 -1.379 1.00 0.00 C ATOM 372 NZ LYS A 27 0.340 -20.737 -0.745 1.00 0.00 N ATOM 0 H LYS A 27 1.544 -14.895 -0.752 1.00 0.00 H new ATOM 0 HA LYS A 27 2.286 -16.345 1.712 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.018 -16.191 -0.736 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.861 -17.486 0.435 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.565 -16.797 -1.407 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.886 -17.805 -1.965 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.492 -19.309 0.039 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.076 -18.350 0.420 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.074 -18.901 -1.767 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.514 -19.786 -2.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.213 -21.271 -1.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.121 -21.329 -0.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.274 -20.471 0.051 1.00 0.00 H new ATOM 386 N ASP A 28 3.341 -13.489 0.726 1.00 0.00 N ATOM 387 CA ASP A 28 4.187 -12.347 1.055 1.00 0.00 C ATOM 388 C ASP A 28 3.561 -11.047 0.562 1.00 0.00 C ATOM 389 O ASP A 28 2.705 -11.054 -0.323 1.00 0.00 O ATOM 390 CB ASP A 28 5.577 -12.523 0.443 1.00 0.00 C ATOM 391 CG ASP A 28 6.467 -13.426 1.275 1.00 0.00 C ATOM 392 OD1 ASP A 28 6.921 -12.983 2.352 1.00 0.00 O ATOM 393 OD2 ASP A 28 6.708 -14.575 0.851 1.00 0.00 O ATOM 0 H ASP A 28 2.588 -13.281 0.070 1.00 0.00 H new ATOM 0 HA ASP A 28 4.280 -12.295 2.140 1.00 0.00 H new ATOM 0 HB2 ASP A 28 5.479 -12.939 -0.560 1.00 0.00 H new ATOM 0 HB3 ASP A 28 6.051 -11.547 0.339 1.00 0.00 H new ATOM 398 N SER A 29 3.993 -9.931 1.141 1.00 0.00 N ATOM 399 CA SER A 29 3.472 -8.622 0.764 1.00 0.00 C ATOM 400 C SER A 29 3.386 -8.488 -0.753 1.00 0.00 C ATOM 401 O SER A 29 2.375 -8.039 -1.291 1.00 0.00 O ATOM 402 CB SER A 29 4.357 -7.513 1.337 1.00 0.00 C ATOM 403 OG SER A 29 5.729 -7.791 1.117 1.00 0.00 O ATOM 0 H SER A 29 4.703 -9.907 1.873 1.00 0.00 H new ATOM 0 HA SER A 29 2.468 -8.525 1.177 1.00 0.00 H new ATOM 0 HB2 SER A 29 4.097 -6.561 0.875 1.00 0.00 H new ATOM 0 HB3 SER A 29 4.170 -7.410 2.406 1.00 0.00 H new ATOM 0 HG SER A 29 6.160 -8.005 1.971 1.00 0.00 H new ATOM 409 N TRP A 30 4.455 -8.881 -1.436 1.00 0.00 N ATOM 410 CA TRP A 30 4.502 -8.805 -2.892 1.00 0.00 C ATOM 411 C TRP A 30 3.216 -9.346 -3.507 1.00 0.00 C ATOM 412 O TRP A 30 2.730 -8.824 -4.511 1.00 0.00 O ATOM 413 CB TRP A 30 5.704 -9.586 -3.426 1.00 0.00 C ATOM 414 CG TRP A 30 6.956 -9.365 -2.631 1.00 0.00 C ATOM 415 CD1 TRP A 30 7.705 -10.317 -2.001 1.00 0.00 C ATOM 416 CD2 TRP A 30 7.603 -8.113 -2.382 1.00 0.00 C ATOM 417 NE1 TRP A 30 8.779 -9.732 -1.374 1.00 0.00 N ATOM 418 CE2 TRP A 30 8.739 -8.380 -1.594 1.00 0.00 C ATOM 419 CE3 TRP A 30 7.334 -6.791 -2.750 1.00 0.00 C ATOM 420 CZ2 TRP A 30 9.602 -7.374 -1.167 1.00 0.00 C ATOM 421 CZ3 TRP A 30 8.192 -5.794 -2.325 1.00 0.00 C ATOM 422 CH2 TRP A 30 9.315 -6.090 -1.542 1.00 0.00 C ATOM 0 H TRP A 30 5.301 -9.255 -1.006 1.00 0.00 H new ATOM 0 HA TRP A 30 4.605 -7.757 -3.173 1.00 0.00 H new ATOM 0 HB2 TRP A 30 5.466 -10.650 -3.427 1.00 0.00 H new ATOM 0 HB3 TRP A 30 5.884 -9.298 -4.462 1.00 0.00 H new ATOM 0 HD1 TRP A 30 7.486 -11.374 -1.996 1.00 0.00 H new ATOM 0 HE1 TRP A 30 9.490 -10.224 -0.833 1.00 0.00 H new ATOM 0 HE3 TRP A 30 6.472 -6.553 -3.355 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 10.467 -7.599 -0.561 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 7.993 -4.769 -2.601 1.00 0.00 H new ATOM 0 HH2 TRP A 30 9.967 -5.289 -1.228 1.00 0.00 H new ATOM 433 N ASP A 31 2.669 -10.392 -2.899 1.00 0.00 N ATOM 434 CA ASP A 31 1.437 -11.002 -3.387 1.00 0.00 C ATOM 435 C ASP A 31 0.243 -10.084 -3.145 1.00 0.00 C ATOM 436 O ASP A 31 -0.605 -9.910 -4.019 1.00 0.00 O ATOM 437 CB ASP A 31 1.206 -12.351 -2.704 1.00 0.00 C ATOM 438 CG ASP A 31 0.403 -13.306 -3.566 1.00 0.00 C ATOM 439 OD1 ASP A 31 -0.520 -12.840 -4.265 1.00 0.00 O ATOM 440 OD2 ASP A 31 0.698 -14.520 -3.540 1.00 0.00 O ATOM 0 H ASP A 31 3.059 -10.836 -2.067 1.00 0.00 H new ATOM 0 HA ASP A 31 1.539 -11.160 -4.461 1.00 0.00 H new ATOM 0 HB2 ASP A 31 2.168 -12.804 -2.465 1.00 0.00 H new ATOM 0 HB3 ASP A 31 0.685 -12.193 -1.760 1.00 0.00 H new ATOM 445 N MET A 32 0.184 -9.501 -1.952 1.00 0.00 N ATOM 446 CA MET A 32 -0.906 -8.600 -1.596 1.00 0.00 C ATOM 447 C MET A 32 -0.929 -7.383 -2.515 1.00 0.00 C ATOM 448 O MET A 32 -1.866 -7.198 -3.293 1.00 0.00 O ATOM 449 CB MET A 32 -0.770 -8.152 -0.140 1.00 0.00 C ATOM 450 CG MET A 32 -1.321 -9.156 0.860 1.00 0.00 C ATOM 451 SD MET A 32 -0.925 -8.727 2.566 1.00 0.00 S ATOM 452 CE MET A 32 0.393 -9.890 2.910 1.00 0.00 C ATOM 0 H MET A 32 0.877 -9.636 -1.216 1.00 0.00 H new ATOM 0 HA MET A 32 -1.845 -9.141 -1.716 1.00 0.00 H new ATOM 0 HB2 MET A 32 0.283 -7.973 0.080 1.00 0.00 H new ATOM 0 HB3 MET A 32 -1.288 -7.202 -0.011 1.00 0.00 H new ATOM 0 HG2 MET A 32 -2.403 -9.219 0.747 1.00 0.00 H new ATOM 0 HG3 MET A 32 -0.919 -10.144 0.635 1.00 0.00 H new ATOM 0 HE1 MET A 32 1.069 -9.465 3.651 1.00 0.00 H new ATOM 0 HE2 MET A 32 -0.031 -10.817 3.296 1.00 0.00 H new ATOM 0 HE3 MET A 32 0.944 -10.097 1.993 1.00 0.00 H new ATOM 462 N LEU A 33 0.107 -6.557 -2.421 1.00 0.00 N ATOM 463 CA LEU A 33 0.205 -5.357 -3.245 1.00 0.00 C ATOM 464 C LEU A 33 0.340 -5.719 -4.720 1.00 0.00 C ATOM 465 O LEU A 33 -0.083 -4.965 -5.596 1.00 0.00 O ATOM 466 CB LEU A 33 1.401 -4.509 -2.805 1.00 0.00 C ATOM 467 CG LEU A 33 1.528 -4.258 -1.302 1.00 0.00 C ATOM 468 CD1 LEU A 33 2.815 -3.509 -0.993 1.00 0.00 C ATOM 469 CD2 LEU A 33 0.323 -3.486 -0.786 1.00 0.00 C ATOM 0 H LEU A 33 0.891 -6.696 -1.783 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.710 -4.780 -3.114 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.313 -4.996 -3.150 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.343 -3.545 -3.311 1.00 0.00 H new ATOM 0 HG LEU A 33 1.561 -5.222 -0.794 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.888 -3.339 0.081 1.00 0.00 H new ATOM 0 HD12 LEU A 33 3.669 -4.099 -1.326 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.812 -2.551 -1.512 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.431 -3.317 0.285 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.258 -2.527 -1.300 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.584 -4.060 -0.973 1.00 0.00 H new ATOM 481 N GLY A 34 0.930 -6.880 -4.988 1.00 0.00 N ATOM 482 CA GLY A 34 1.108 -7.322 -6.359 1.00 0.00 C ATOM 483 C GLY A 34 2.294 -6.662 -7.033 1.00 0.00 C ATOM 484 O GLY A 34 2.235 -6.318 -8.213 1.00 0.00 O ATOM 0 H GLY A 34 1.288 -7.522 -4.281 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.241 -8.404 -6.374 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.204 -7.104 -6.928 1.00 0.00 H new ATOM 488 N VAL A 35 3.375 -6.481 -6.280 1.00 0.00 N ATOM 489 CA VAL A 35 4.581 -5.857 -6.811 1.00 0.00 C ATOM 490 C VAL A 35 5.812 -6.711 -6.530 1.00 0.00 C ATOM 491 O VAL A 35 5.911 -7.352 -5.484 1.00 0.00 O ATOM 492 CB VAL A 35 4.796 -4.453 -6.214 1.00 0.00 C ATOM 493 CG1 VAL A 35 3.819 -3.459 -6.822 1.00 0.00 C ATOM 494 CG2 VAL A 35 4.656 -4.493 -4.699 1.00 0.00 C ATOM 0 H VAL A 35 3.440 -6.758 -5.300 1.00 0.00 H new ATOM 0 HA VAL A 35 4.443 -5.768 -7.889 1.00 0.00 H new ATOM 0 HB VAL A 35 5.807 -4.125 -6.455 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.986 -2.473 -6.388 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.972 -3.412 -7.900 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.798 -3.779 -6.614 1.00 0.00 H new ATOM 0 HG21 VAL A 35 4.811 -3.493 -4.293 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.658 -4.841 -4.435 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.399 -5.173 -4.283 1.00 0.00 H new ATOM 504 N LYS A 36 6.750 -6.714 -7.471 1.00 0.00 N ATOM 505 CA LYS A 36 7.977 -7.488 -7.325 1.00 0.00 C ATOM 506 C LYS A 36 8.746 -7.060 -6.079 1.00 0.00 C ATOM 507 O LYS A 36 8.639 -5.925 -5.614 1.00 0.00 O ATOM 508 CB LYS A 36 8.860 -7.320 -8.564 1.00 0.00 C ATOM 509 CG LYS A 36 9.249 -5.879 -8.843 1.00 0.00 C ATOM 510 CD LYS A 36 9.505 -5.647 -10.323 1.00 0.00 C ATOM 511 CE LYS A 36 10.895 -6.110 -10.728 1.00 0.00 C ATOM 512 NZ LYS A 36 11.961 -5.282 -10.100 1.00 0.00 N ATOM 0 H LYS A 36 6.684 -6.189 -8.343 1.00 0.00 H new ATOM 0 HA LYS A 36 7.704 -8.538 -7.219 1.00 0.00 H new ATOM 0 HB2 LYS A 36 9.765 -7.914 -8.438 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.335 -7.720 -9.431 1.00 0.00 H new ATOM 0 HG2 LYS A 36 8.455 -5.214 -8.502 1.00 0.00 H new ATOM 0 HG3 LYS A 36 10.144 -5.626 -8.274 1.00 0.00 H new ATOM 0 HD2 LYS A 36 8.757 -6.180 -10.910 1.00 0.00 H new ATOM 0 HD3 LYS A 36 9.393 -4.587 -10.551 1.00 0.00 H new ATOM 0 HE2 LYS A 36 11.028 -7.153 -10.440 1.00 0.00 H new ATOM 0 HE3 LYS A 36 10.991 -6.064 -11.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 12.841 -5.376 -10.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 11.665 -4.285 -10.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 12.123 -5.606 -9.125 1.00 0.00 H new ATOM 526 N PRO A 37 9.540 -7.988 -5.524 1.00 0.00 N ATOM 527 CA PRO A 37 10.343 -7.729 -4.326 1.00 0.00 C ATOM 528 C PRO A 37 11.493 -6.765 -4.596 1.00 0.00 C ATOM 529 O PRO A 37 12.161 -6.306 -3.670 1.00 0.00 O ATOM 530 CB PRO A 37 10.881 -9.113 -3.953 1.00 0.00 C ATOM 531 CG PRO A 37 10.886 -9.875 -5.234 1.00 0.00 C ATOM 532 CD PRO A 37 9.715 -9.362 -6.025 1.00 0.00 C ATOM 0 HA PRO A 37 9.757 -7.258 -3.537 1.00 0.00 H new ATOM 0 HB2 PRO A 37 11.882 -9.047 -3.528 1.00 0.00 H new ATOM 0 HB3 PRO A 37 10.249 -9.596 -3.208 1.00 0.00 H new ATOM 0 HG2 PRO A 37 11.820 -9.722 -5.775 1.00 0.00 H new ATOM 0 HG3 PRO A 37 10.795 -10.946 -5.052 1.00 0.00 H new ATOM 0 HD2 PRO A 37 9.916 -9.376 -7.096 1.00 0.00 H new ATOM 0 HD3 PRO A 37 8.823 -9.966 -5.860 1.00 0.00 H new ATOM 540 N GLY A 38 11.719 -6.463 -5.871 1.00 0.00 N ATOM 541 CA GLY A 38 12.789 -5.555 -6.239 1.00 0.00 C ATOM 542 C GLY A 38 12.273 -4.207 -6.701 1.00 0.00 C ATOM 543 O GLY A 38 12.924 -3.521 -7.488 1.00 0.00 O ATOM 0 H GLY A 38 11.180 -6.831 -6.655 1.00 0.00 H new ATOM 0 HA2 GLY A 38 13.451 -5.414 -5.385 1.00 0.00 H new ATOM 0 HA3 GLY A 38 13.385 -6.004 -7.033 1.00 0.00 H new ATOM 547 N ALA A 39 11.097 -3.826 -6.212 1.00 0.00 N ATOM 548 CA ALA A 39 10.493 -2.551 -6.579 1.00 0.00 C ATOM 549 C ALA A 39 11.017 -1.422 -5.699 1.00 0.00 C ATOM 550 O ALA A 39 11.817 -1.649 -4.792 1.00 0.00 O ATOM 551 CB ALA A 39 8.977 -2.638 -6.483 1.00 0.00 C ATOM 0 H ALA A 39 10.544 -4.383 -5.560 1.00 0.00 H new ATOM 0 HA ALA A 39 10.768 -2.330 -7.610 1.00 0.00 H new ATOM 0 HB1 ALA A 39 8.539 -1.679 -6.760 1.00 0.00 H new ATOM 0 HB2 ALA A 39 8.613 -3.412 -7.159 1.00 0.00 H new ATOM 0 HB3 ALA A 39 8.691 -2.886 -5.461 1.00 0.00 H new ATOM 557 N SER A 40 10.562 -0.204 -5.974 1.00 0.00 N ATOM 558 CA SER A 40 10.989 0.962 -5.210 1.00 0.00 C ATOM 559 C SER A 40 9.814 1.578 -4.456 1.00 0.00 C ATOM 560 O SER A 40 8.657 1.239 -4.704 1.00 0.00 O ATOM 561 CB SER A 40 11.617 2.005 -6.138 1.00 0.00 C ATOM 562 OG SER A 40 10.732 2.353 -7.187 1.00 0.00 O ATOM 0 H SER A 40 9.898 0.001 -6.720 1.00 0.00 H new ATOM 0 HA SER A 40 11.734 0.636 -4.484 1.00 0.00 H new ATOM 0 HB2 SER A 40 11.876 2.896 -5.566 1.00 0.00 H new ATOM 0 HB3 SER A 40 12.545 1.613 -6.556 1.00 0.00 H new ATOM 0 HG SER A 40 11.156 3.022 -7.764 1.00 0.00 H new ATOM 568 N ARG A 41 10.121 2.486 -3.535 1.00 0.00 N ATOM 569 CA ARG A 41 9.092 3.149 -2.743 1.00 0.00 C ATOM 570 C ARG A 41 7.965 3.661 -3.636 1.00 0.00 C ATOM 571 O ARG A 41 6.787 3.528 -3.305 1.00 0.00 O ATOM 572 CB ARG A 41 9.696 4.308 -1.950 1.00 0.00 C ATOM 573 CG ARG A 41 8.713 4.976 -1.003 1.00 0.00 C ATOM 574 CD ARG A 41 9.417 5.554 0.215 1.00 0.00 C ATOM 575 NE ARG A 41 8.474 5.938 1.262 1.00 0.00 N ATOM 576 CZ ARG A 41 7.828 7.099 1.279 1.00 0.00 C ATOM 577 NH1 ARG A 41 8.024 7.984 0.311 1.00 0.00 N ATOM 578 NH2 ARG A 41 6.985 7.377 2.265 1.00 0.00 N ATOM 0 H ARG A 41 11.074 2.779 -3.319 1.00 0.00 H new ATOM 0 HA ARG A 41 8.678 2.419 -2.047 1.00 0.00 H new ATOM 0 HB2 ARG A 41 10.547 3.940 -1.377 1.00 0.00 H new ATOM 0 HB3 ARG A 41 10.079 5.053 -2.647 1.00 0.00 H new ATOM 0 HG2 ARG A 41 8.182 5.770 -1.529 1.00 0.00 H new ATOM 0 HG3 ARG A 41 7.965 4.251 -0.682 1.00 0.00 H new ATOM 0 HD2 ARG A 41 10.118 4.819 0.611 1.00 0.00 H new ATOM 0 HD3 ARG A 41 10.001 6.424 -0.083 1.00 0.00 H new ATOM 0 HE ARG A 41 8.302 5.279 2.021 1.00 0.00 H new ATOM 0 HH11 ARG A 41 8.672 7.774 -0.449 1.00 0.00 H new ATOM 0 HH12 ARG A 41 7.527 8.875 0.326 1.00 0.00 H new ATOM 0 HH21 ARG A 41 6.832 6.699 3.012 1.00 0.00 H new ATOM 0 HH22 ARG A 41 6.490 8.269 2.277 1.00 0.00 H new ATOM 592 N ASP A 42 8.336 4.248 -4.769 1.00 0.00 N ATOM 593 CA ASP A 42 7.358 4.781 -5.710 1.00 0.00 C ATOM 594 C ASP A 42 6.406 3.686 -6.182 1.00 0.00 C ATOM 595 O ASP A 42 5.196 3.896 -6.263 1.00 0.00 O ATOM 596 CB ASP A 42 8.064 5.412 -6.910 1.00 0.00 C ATOM 597 CG ASP A 42 7.151 5.551 -8.112 1.00 0.00 C ATOM 598 OD1 ASP A 42 6.123 6.252 -7.999 1.00 0.00 O ATOM 599 OD2 ASP A 42 7.464 4.960 -9.167 1.00 0.00 O ATOM 0 H ASP A 42 9.307 4.367 -5.058 1.00 0.00 H new ATOM 0 HA ASP A 42 6.777 5.547 -5.197 1.00 0.00 H new ATOM 0 HB2 ASP A 42 8.443 6.395 -6.629 1.00 0.00 H new ATOM 0 HB3 ASP A 42 8.927 4.804 -7.181 1.00 0.00 H new ATOM 604 N GLU A 43 6.962 2.519 -6.493 1.00 0.00 N ATOM 605 CA GLU A 43 6.161 1.393 -6.959 1.00 0.00 C ATOM 606 C GLU A 43 5.198 0.924 -5.873 1.00 0.00 C ATOM 607 O GLU A 43 3.981 0.934 -6.059 1.00 0.00 O ATOM 608 CB GLU A 43 7.068 0.237 -7.386 1.00 0.00 C ATOM 609 CG GLU A 43 7.722 0.445 -8.742 1.00 0.00 C ATOM 610 CD GLU A 43 6.882 -0.095 -9.883 1.00 0.00 C ATOM 611 OE1 GLU A 43 5.648 -0.196 -9.715 1.00 0.00 O ATOM 612 OE2 GLU A 43 7.457 -0.417 -10.944 1.00 0.00 O ATOM 0 H GLU A 43 7.962 2.329 -6.431 1.00 0.00 H new ATOM 0 HA GLU A 43 5.578 1.725 -7.818 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.845 0.100 -6.634 1.00 0.00 H new ATOM 0 HB3 GLU A 43 6.483 -0.682 -7.411 1.00 0.00 H new ATOM 0 HG2 GLU A 43 7.898 1.510 -8.897 1.00 0.00 H new ATOM 0 HG3 GLU A 43 8.696 -0.043 -8.750 1.00 0.00 H new ATOM 619 N VAL A 44 5.752 0.512 -4.737 1.00 0.00 N ATOM 620 CA VAL A 44 4.943 0.039 -3.619 1.00 0.00 C ATOM 621 C VAL A 44 3.767 0.973 -3.358 1.00 0.00 C ATOM 622 O VAL A 44 2.632 0.527 -3.191 1.00 0.00 O ATOM 623 CB VAL A 44 5.781 -0.085 -2.333 1.00 0.00 C ATOM 624 CG1 VAL A 44 4.918 -0.573 -1.179 1.00 0.00 C ATOM 625 CG2 VAL A 44 6.963 -1.016 -2.555 1.00 0.00 C ATOM 0 H VAL A 44 6.758 0.496 -4.566 1.00 0.00 H new ATOM 0 HA VAL A 44 4.567 -0.946 -3.895 1.00 0.00 H new ATOM 0 HB VAL A 44 6.168 0.901 -2.076 1.00 0.00 H new ATOM 0 HG11 VAL A 44 5.527 -0.655 -0.279 1.00 0.00 H new ATOM 0 HG12 VAL A 44 4.108 0.135 -1.006 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.500 -1.549 -1.424 1.00 0.00 H new ATOM 0 HG21 VAL A 44 7.544 -1.092 -1.636 1.00 0.00 H new ATOM 0 HG22 VAL A 44 6.600 -2.004 -2.837 1.00 0.00 H new ATOM 0 HG23 VAL A 44 7.593 -0.620 -3.351 1.00 0.00 H new ATOM 635 N ASN A 45 4.046 2.272 -3.326 1.00 0.00 N ATOM 636 CA ASN A 45 3.010 3.270 -3.086 1.00 0.00 C ATOM 637 C ASN A 45 1.976 3.263 -4.207 1.00 0.00 C ATOM 638 O ASN A 45 0.771 3.281 -3.956 1.00 0.00 O ATOM 639 CB ASN A 45 3.633 4.662 -2.961 1.00 0.00 C ATOM 640 CG ASN A 45 4.214 4.914 -1.583 1.00 0.00 C ATOM 641 OD1 ASN A 45 3.509 4.840 -0.576 1.00 0.00 O ATOM 642 ND2 ASN A 45 5.506 5.215 -1.532 1.00 0.00 N ATOM 0 H ASN A 45 4.980 2.658 -3.463 1.00 0.00 H new ATOM 0 HA ASN A 45 2.508 3.018 -2.152 1.00 0.00 H new ATOM 0 HB2 ASN A 45 4.418 4.774 -3.709 1.00 0.00 H new ATOM 0 HB3 ASN A 45 2.876 5.416 -3.177 1.00 0.00 H new ATOM 0 HD21 ASN A 45 5.952 5.396 -0.633 1.00 0.00 H new ATOM 0 HD22 ASN A 45 6.052 5.265 -2.392 1.00 0.00 H new ATOM 649 N LYS A 46 2.455 3.235 -5.446 1.00 0.00 N ATOM 650 CA LYS A 46 1.574 3.222 -6.608 1.00 0.00 C ATOM 651 C LYS A 46 0.602 2.049 -6.541 1.00 0.00 C ATOM 652 O LYS A 46 -0.600 2.214 -6.750 1.00 0.00 O ATOM 653 CB LYS A 46 2.396 3.144 -7.896 1.00 0.00 C ATOM 654 CG LYS A 46 1.708 3.772 -9.096 1.00 0.00 C ATOM 655 CD LYS A 46 1.655 5.286 -8.979 1.00 0.00 C ATOM 656 CE LYS A 46 0.465 5.862 -9.732 1.00 0.00 C ATOM 657 NZ LYS A 46 0.560 7.342 -9.871 1.00 0.00 N ATOM 0 H LYS A 46 3.450 3.221 -5.672 1.00 0.00 H new ATOM 0 HA LYS A 46 0.999 4.148 -6.607 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.354 3.640 -7.736 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.611 2.099 -8.117 1.00 0.00 H new ATOM 0 HG2 LYS A 46 2.239 3.495 -10.007 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.696 3.377 -9.184 1.00 0.00 H new ATOM 0 HD2 LYS A 46 1.593 5.569 -7.928 1.00 0.00 H new ATOM 0 HD3 LYS A 46 2.577 5.715 -9.371 1.00 0.00 H new ATOM 0 HE2 LYS A 46 0.406 5.407 -10.721 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.455 5.605 -9.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -0.269 7.696 -10.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 0.590 7.778 -8.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 1.425 7.587 -10.393 1.00 0.00 H new ATOM 671 N ALA A 47 1.129 0.865 -6.247 1.00 0.00 N ATOM 672 CA ALA A 47 0.307 -0.334 -6.149 1.00 0.00 C ATOM 673 C ALA A 47 -0.575 -0.296 -4.905 1.00 0.00 C ATOM 674 O ALA A 47 -1.745 -0.676 -4.950 1.00 0.00 O ATOM 675 CB ALA A 47 1.186 -1.577 -6.136 1.00 0.00 C ATOM 0 H ALA A 47 2.122 0.711 -6.073 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.343 -0.370 -7.023 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.559 -2.465 -6.062 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.769 -1.620 -7.056 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.860 -1.537 -5.280 1.00 0.00 H new ATOM 681 N TYR A 48 -0.006 0.166 -3.797 1.00 0.00 N ATOM 682 CA TYR A 48 -0.740 0.251 -2.540 1.00 0.00 C ATOM 683 C TYR A 48 -1.973 1.137 -2.688 1.00 0.00 C ATOM 684 O TYR A 48 -2.969 0.957 -1.987 1.00 0.00 O ATOM 685 CB TYR A 48 0.164 0.797 -1.433 1.00 0.00 C ATOM 686 CG TYR A 48 -0.578 1.593 -0.383 1.00 0.00 C ATOM 687 CD1 TYR A 48 -1.207 0.959 0.681 1.00 0.00 C ATOM 688 CD2 TYR A 48 -0.650 2.979 -0.456 1.00 0.00 C ATOM 689 CE1 TYR A 48 -1.887 1.682 1.643 1.00 0.00 C ATOM 690 CE2 TYR A 48 -1.326 3.710 0.502 1.00 0.00 C ATOM 691 CZ TYR A 48 -1.943 3.057 1.549 1.00 0.00 C ATOM 692 OH TYR A 48 -2.618 3.781 2.504 1.00 0.00 O ATOM 0 H TYR A 48 0.961 0.487 -3.744 1.00 0.00 H new ATOM 0 HA TYR A 48 -1.067 -0.753 -2.271 1.00 0.00 H new ATOM 0 HB2 TYR A 48 0.677 -0.035 -0.951 1.00 0.00 H new ATOM 0 HB3 TYR A 48 0.932 1.428 -1.881 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -1.164 -0.117 0.758 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -0.170 3.493 -1.275 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.372 1.173 2.463 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -1.371 4.787 0.432 1.00 0.00 H new ATOM 0 HH TYR A 48 -2.561 4.736 2.291 1.00 0.00 H new ATOM 702 N ARG A 49 -1.899 2.095 -3.607 1.00 0.00 N ATOM 703 CA ARG A 49 -3.007 3.010 -3.848 1.00 0.00 C ATOM 704 C ARG A 49 -4.132 2.314 -4.609 1.00 0.00 C ATOM 705 O ARG A 49 -5.223 2.110 -4.076 1.00 0.00 O ATOM 706 CB ARG A 49 -2.527 4.232 -4.634 1.00 0.00 C ATOM 707 CG ARG A 49 -1.754 5.233 -3.791 1.00 0.00 C ATOM 708 CD ARG A 49 -1.233 6.386 -4.634 1.00 0.00 C ATOM 709 NE ARG A 49 -0.777 7.503 -3.811 1.00 0.00 N ATOM 710 CZ ARG A 49 0.109 8.404 -4.220 1.00 0.00 C ATOM 711 NH1 ARG A 49 0.631 8.320 -5.436 1.00 0.00 N ATOM 712 NH2 ARG A 49 0.475 9.391 -3.413 1.00 0.00 N ATOM 0 H ARG A 49 -1.083 2.257 -4.197 1.00 0.00 H new ATOM 0 HA ARG A 49 -3.392 3.336 -2.882 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -1.895 3.899 -5.457 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -3.389 4.731 -5.076 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -2.398 5.620 -3.002 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -0.919 4.731 -3.303 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -0.411 6.036 -5.258 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -2.020 6.728 -5.306 1.00 0.00 H new ATOM 0 HE ARG A 49 -1.160 7.596 -2.870 1.00 0.00 H new ATOM 0 HH11 ARG A 49 0.352 7.562 -6.059 1.00 0.00 H new ATOM 0 HH12 ARG A 49 1.311 9.013 -5.748 1.00 0.00 H new ATOM 0 HH21 ARG A 49 0.076 9.459 -2.477 1.00 0.00 H new ATOM 0 HH22 ARG A 49 1.156 10.082 -3.729 1.00 0.00 H new ATOM 726 N LYS A 50 -3.859 1.950 -5.857 1.00 0.00 N ATOM 727 CA LYS A 50 -4.846 1.276 -6.692 1.00 0.00 C ATOM 728 C LYS A 50 -5.552 0.170 -5.913 1.00 0.00 C ATOM 729 O LYS A 50 -6.725 -0.120 -6.153 1.00 0.00 O ATOM 730 CB LYS A 50 -4.177 0.690 -7.937 1.00 0.00 C ATOM 731 CG LYS A 50 -3.245 -0.471 -7.637 1.00 0.00 C ATOM 732 CD LYS A 50 -3.162 -1.436 -8.808 1.00 0.00 C ATOM 733 CE LYS A 50 -1.893 -2.273 -8.752 1.00 0.00 C ATOM 734 NZ LYS A 50 -1.485 -2.752 -10.102 1.00 0.00 N ATOM 0 H LYS A 50 -2.961 2.111 -6.313 1.00 0.00 H new ATOM 0 HA LYS A 50 -5.589 2.012 -6.999 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.949 0.356 -8.631 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -3.614 1.476 -8.441 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.250 -0.090 -7.407 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -3.596 -1.001 -6.752 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -4.032 -2.092 -8.802 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -3.190 -0.878 -9.744 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -1.087 -1.682 -8.317 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -2.051 -3.129 -8.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -0.616 -3.318 -10.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -2.244 -3.337 -10.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -1.310 -1.935 -10.722 1.00 0.00 H new ATOM 748 N LEU A 51 -4.832 -0.443 -4.981 1.00 0.00 N ATOM 749 CA LEU A 51 -5.390 -1.517 -4.166 1.00 0.00 C ATOM 750 C LEU A 51 -6.251 -0.954 -3.040 1.00 0.00 C ATOM 751 O LEU A 51 -7.428 -1.292 -2.916 1.00 0.00 O ATOM 752 CB LEU A 51 -4.268 -2.378 -3.584 1.00 0.00 C ATOM 753 CG LEU A 51 -4.615 -3.843 -3.317 1.00 0.00 C ATOM 754 CD1 LEU A 51 -5.153 -4.502 -4.577 1.00 0.00 C ATOM 755 CD2 LEU A 51 -3.398 -4.594 -2.798 1.00 0.00 C ATOM 0 H LEU A 51 -3.860 -0.215 -4.770 1.00 0.00 H new ATOM 0 HA LEU A 51 -6.019 -2.136 -4.805 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.420 -2.345 -4.268 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -3.940 -1.927 -2.648 1.00 0.00 H new ATOM 0 HG LEU A 51 -5.392 -3.879 -2.553 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -5.394 -5.544 -4.368 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -6.052 -3.980 -4.905 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -4.399 -4.455 -5.363 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.664 -5.635 -2.614 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.600 -4.549 -3.539 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.057 -4.137 -1.869 1.00 0.00 H new ATOM 767 N ALA A 52 -5.657 -0.091 -2.222 1.00 0.00 N ATOM 768 CA ALA A 52 -6.370 0.522 -1.109 1.00 0.00 C ATOM 769 C ALA A 52 -7.749 1.008 -1.542 1.00 0.00 C ATOM 770 O ALA A 52 -8.740 0.804 -0.840 1.00 0.00 O ATOM 771 CB ALA A 52 -5.560 1.673 -0.532 1.00 0.00 C ATOM 0 H ALA A 52 -4.683 0.199 -2.310 1.00 0.00 H new ATOM 0 HA ALA A 52 -6.506 -0.235 -0.336 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -6.105 2.121 0.299 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -4.600 1.300 -0.176 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.394 2.424 -1.304 1.00 0.00 H new ATOM 777 N VAL A 53 -7.806 1.653 -2.703 1.00 0.00 N ATOM 778 CA VAL A 53 -9.064 2.168 -3.230 1.00 0.00 C ATOM 779 C VAL A 53 -10.030 1.034 -3.555 1.00 0.00 C ATOM 780 O VAL A 53 -11.235 1.145 -3.326 1.00 0.00 O ATOM 781 CB VAL A 53 -8.838 3.014 -4.498 1.00 0.00 C ATOM 782 CG1 VAL A 53 -10.166 3.469 -5.081 1.00 0.00 C ATOM 783 CG2 VAL A 53 -7.945 4.207 -4.189 1.00 0.00 C ATOM 0 H VAL A 53 -6.996 1.831 -3.296 1.00 0.00 H new ATOM 0 HA VAL A 53 -9.497 2.799 -2.454 1.00 0.00 H new ATOM 0 HB VAL A 53 -8.336 2.395 -5.242 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -9.986 4.065 -5.976 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -10.767 2.598 -5.341 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -10.699 4.071 -4.345 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.795 4.794 -5.095 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.418 4.828 -3.428 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -6.981 3.855 -3.822 1.00 0.00 H new ATOM 793 N LEU A 54 -9.493 -0.057 -4.090 1.00 0.00 N ATOM 794 CA LEU A 54 -10.307 -1.214 -4.446 1.00 0.00 C ATOM 795 C LEU A 54 -10.839 -1.911 -3.198 1.00 0.00 C ATOM 796 O LEU A 54 -11.960 -2.421 -3.189 1.00 0.00 O ATOM 797 CB LEU A 54 -9.490 -2.198 -5.285 1.00 0.00 C ATOM 798 CG LEU A 54 -10.207 -3.484 -5.699 1.00 0.00 C ATOM 799 CD1 LEU A 54 -10.953 -3.281 -7.008 1.00 0.00 C ATOM 800 CD2 LEU A 54 -9.215 -4.632 -5.821 1.00 0.00 C ATOM 0 H LEU A 54 -8.498 -0.165 -4.287 1.00 0.00 H new ATOM 0 HA LEU A 54 -11.156 -0.863 -5.033 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -9.156 -1.685 -6.187 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -8.596 -2.469 -4.723 1.00 0.00 H new ATOM 0 HG LEU A 54 -10.933 -3.738 -4.926 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -11.457 -4.206 -7.287 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -11.691 -2.488 -6.887 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -10.247 -3.003 -7.790 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -9.743 -5.539 -6.116 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -8.466 -4.387 -6.574 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -8.725 -4.793 -4.861 1.00 0.00 H new ATOM 812 N LEU A 55 -10.028 -1.928 -2.146 1.00 0.00 N ATOM 813 CA LEU A 55 -10.418 -2.561 -0.890 1.00 0.00 C ATOM 814 C LEU A 55 -11.002 -1.536 0.077 1.00 0.00 C ATOM 815 O LEU A 55 -11.518 -1.892 1.138 1.00 0.00 O ATOM 816 CB LEU A 55 -9.213 -3.254 -0.251 1.00 0.00 C ATOM 817 CG LEU A 55 -8.365 -4.121 -1.183 1.00 0.00 C ATOM 818 CD1 LEU A 55 -7.036 -4.465 -0.529 1.00 0.00 C ATOM 819 CD2 LEU A 55 -9.118 -5.387 -1.564 1.00 0.00 C ATOM 0 H LEU A 55 -9.097 -1.511 -2.137 1.00 0.00 H new ATOM 0 HA LEU A 55 -11.184 -3.305 -1.108 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.570 -2.490 0.187 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -9.570 -3.878 0.568 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.163 -3.555 -2.092 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.446 -5.082 -1.207 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.491 -3.547 -0.307 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -7.217 -5.012 0.396 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.500 -5.992 -2.227 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -9.350 -5.957 -0.664 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -10.044 -5.120 -2.074 1.00 0.00 H new ATOM 831 N HIS A 56 -10.919 -0.263 -0.296 1.00 0.00 N ATOM 832 CA HIS A 56 -11.443 0.813 0.538 1.00 0.00 C ATOM 833 C HIS A 56 -12.892 0.541 0.930 1.00 0.00 C ATOM 834 O HIS A 56 -13.698 0.065 0.131 1.00 0.00 O ATOM 835 CB HIS A 56 -11.343 2.150 -0.197 1.00 0.00 C ATOM 836 CG HIS A 56 -11.168 3.324 0.717 1.00 0.00 C ATOM 837 ND1 HIS A 56 -12.199 4.175 1.056 1.00 0.00 N ATOM 838 CD2 HIS A 56 -10.072 3.786 1.364 1.00 0.00 C ATOM 839 CE1 HIS A 56 -11.745 5.110 1.871 1.00 0.00 C ATOM 840 NE2 HIS A 56 -10.457 4.896 2.074 1.00 0.00 N ATOM 0 H HIS A 56 -10.494 0.049 -1.169 1.00 0.00 H new ATOM 0 HA HIS A 56 -10.843 0.860 1.447 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -10.503 2.112 -0.891 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -12.243 2.296 -0.794 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -9.080 3.361 1.328 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -12.327 5.913 2.299 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -9.848 5.464 2.663 1.00 0.00 H new ATOM 848 N PRO A 57 -13.232 0.849 2.191 1.00 0.00 N ATOM 849 CA PRO A 57 -14.585 0.646 2.717 1.00 0.00 C ATOM 850 C PRO A 57 -15.596 1.609 2.105 1.00 0.00 C ATOM 851 O PRO A 57 -16.791 1.534 2.391 1.00 0.00 O ATOM 852 CB PRO A 57 -14.427 0.918 4.215 1.00 0.00 C ATOM 853 CG PRO A 57 -13.247 1.822 4.314 1.00 0.00 C ATOM 854 CD PRO A 57 -12.323 1.420 3.198 1.00 0.00 C ATOM 0 HA PRO A 57 -14.966 -0.349 2.488 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -15.320 1.386 4.629 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -14.265 -0.006 4.770 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -13.546 2.866 4.217 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -12.757 1.720 5.282 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -11.773 2.275 2.804 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -11.584 0.691 3.531 1.00 0.00 H new ATOM 862 N ASP A 58 -15.110 2.513 1.261 1.00 0.00 N ATOM 863 CA ASP A 58 -15.972 3.490 0.607 1.00 0.00 C ATOM 864 C ASP A 58 -16.438 2.979 -0.753 1.00 0.00 C ATOM 865 O ASP A 58 -17.460 3.423 -1.277 1.00 0.00 O ATOM 866 CB ASP A 58 -15.236 4.821 0.441 1.00 0.00 C ATOM 867 CG ASP A 58 -14.490 4.909 -0.877 1.00 0.00 C ATOM 868 OD1 ASP A 58 -13.544 4.118 -1.078 1.00 0.00 O ATOM 869 OD2 ASP A 58 -14.853 5.768 -1.707 1.00 0.00 O ATOM 0 H ASP A 58 -14.123 2.589 1.014 1.00 0.00 H new ATOM 0 HA ASP A 58 -16.848 3.644 1.237 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -15.953 5.640 0.505 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -14.532 4.949 1.263 1.00 0.00 H new ATOM 874 N LYS A 59 -15.682 2.045 -1.319 1.00 0.00 N ATOM 875 CA LYS A 59 -16.017 1.473 -2.618 1.00 0.00 C ATOM 876 C LYS A 59 -16.373 -0.004 -2.486 1.00 0.00 C ATOM 877 O LYS A 59 -17.211 -0.519 -3.227 1.00 0.00 O ATOM 878 CB LYS A 59 -14.847 1.642 -3.589 1.00 0.00 C ATOM 879 CG LYS A 59 -14.501 3.092 -3.878 1.00 0.00 C ATOM 880 CD LYS A 59 -13.918 3.260 -5.272 1.00 0.00 C ATOM 881 CE LYS A 59 -15.012 3.419 -6.317 1.00 0.00 C ATOM 882 NZ LYS A 59 -15.589 2.107 -6.720 1.00 0.00 N ATOM 0 H LYS A 59 -14.833 1.668 -0.899 1.00 0.00 H new ATOM 0 HA LYS A 59 -16.885 2.004 -3.009 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -13.970 1.143 -3.178 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -15.089 1.141 -4.526 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -15.396 3.707 -3.780 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -13.786 3.451 -3.138 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -13.265 4.132 -5.292 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -13.302 2.395 -5.517 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -15.802 4.057 -5.921 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -14.606 3.922 -7.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -15.961 2.174 -7.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -14.850 1.376 -6.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -16.360 1.853 -6.070 1.00 0.00 H new ATOM 896 N CYS A 60 -15.733 -0.680 -1.538 1.00 0.00 N ATOM 897 CA CYS A 60 -15.983 -2.099 -1.309 1.00 0.00 C ATOM 898 C CYS A 60 -16.541 -2.333 0.092 1.00 0.00 C ATOM 899 O CYS A 60 -15.801 -2.323 1.076 1.00 0.00 O ATOM 900 CB CYS A 60 -14.696 -2.902 -1.499 1.00 0.00 C ATOM 901 SG CYS A 60 -14.946 -4.691 -1.576 1.00 0.00 S ATOM 0 H CYS A 60 -15.037 -0.269 -0.916 1.00 0.00 H new ATOM 0 HA CYS A 60 -16.722 -2.435 -2.036 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -14.208 -2.574 -2.417 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -14.015 -2.676 -0.678 1.00 0.00 H new ATOM 0 HG CYS A 60 -13.795 -5.293 -1.527 1.00 0.00 H new ATOM 907 N VAL A 61 -17.851 -2.542 0.174 1.00 0.00 N ATOM 908 CA VAL A 61 -18.508 -2.778 1.453 1.00 0.00 C ATOM 909 C VAL A 61 -18.466 -4.256 1.829 1.00 0.00 C ATOM 910 O VAL A 61 -19.091 -4.677 2.801 1.00 0.00 O ATOM 911 CB VAL A 61 -19.975 -2.309 1.426 1.00 0.00 C ATOM 912 CG1 VAL A 61 -20.052 -0.814 1.158 1.00 0.00 C ATOM 913 CG2 VAL A 61 -20.764 -3.087 0.383 1.00 0.00 C ATOM 0 H VAL A 61 -18.478 -2.553 -0.631 1.00 0.00 H new ATOM 0 HA VAL A 61 -17.963 -2.200 2.199 1.00 0.00 H new ATOM 0 HB VAL A 61 -20.418 -2.503 2.403 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -21.096 -0.500 1.142 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -19.523 -0.276 1.944 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -19.592 -0.593 0.195 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -21.798 -2.743 0.378 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -20.323 -2.927 -0.601 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -20.737 -4.150 0.624 1.00 0.00 H new ATOM 923 N ALA A 62 -17.724 -5.037 1.050 1.00 0.00 N ATOM 924 CA ALA A 62 -17.598 -6.467 1.302 1.00 0.00 C ATOM 925 C ALA A 62 -17.183 -6.736 2.745 1.00 0.00 C ATOM 926 O ALA A 62 -16.571 -5.897 3.407 1.00 0.00 O ATOM 927 CB ALA A 62 -16.596 -7.086 0.339 1.00 0.00 C ATOM 0 H ALA A 62 -17.202 -4.703 0.240 1.00 0.00 H new ATOM 0 HA ALA A 62 -18.573 -6.927 1.140 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -16.512 -8.154 0.538 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -16.935 -6.934 -0.686 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -15.623 -6.614 0.473 1.00 0.00 H new ATOM 933 N PRO A 63 -17.523 -7.933 3.246 1.00 0.00 N ATOM 934 CA PRO A 63 -17.196 -8.339 4.616 1.00 0.00 C ATOM 935 C PRO A 63 -15.701 -8.573 4.810 1.00 0.00 C ATOM 936 O PRO A 63 -15.175 -8.411 5.910 1.00 0.00 O ATOM 937 CB PRO A 63 -17.969 -9.648 4.792 1.00 0.00 C ATOM 938 CG PRO A 63 -18.129 -10.182 3.410 1.00 0.00 C ATOM 939 CD PRO A 63 -18.253 -8.981 2.514 1.00 0.00 C ATOM 0 HA PRO A 63 -17.460 -7.571 5.343 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -17.424 -10.347 5.426 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -18.936 -9.476 5.265 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -17.273 -10.794 3.126 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -19.012 -10.817 3.337 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -17.816 -9.165 1.533 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -19.295 -8.706 2.352 1.00 0.00 H new ATOM 947 N GLY A 64 -15.022 -8.955 3.732 1.00 0.00 N ATOM 948 CA GLY A 64 -13.594 -9.204 3.806 1.00 0.00 C ATOM 949 C GLY A 64 -12.773 -7.992 3.415 1.00 0.00 C ATOM 950 O GLY A 64 -11.621 -7.855 3.827 1.00 0.00 O ATOM 0 H GLY A 64 -15.435 -9.096 2.810 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -13.333 -9.504 4.821 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -13.339 -10.038 3.152 1.00 0.00 H new ATOM 954 N SER A 65 -13.366 -7.109 2.617 1.00 0.00 N ATOM 955 CA SER A 65 -12.679 -5.905 2.166 1.00 0.00 C ATOM 956 C SER A 65 -11.979 -5.210 3.330 1.00 0.00 C ATOM 957 O SER A 65 -10.900 -4.641 3.167 1.00 0.00 O ATOM 958 CB SER A 65 -13.671 -4.944 1.506 1.00 0.00 C ATOM 959 OG SER A 65 -14.459 -4.279 2.478 1.00 0.00 O ATOM 0 H SER A 65 -14.320 -7.205 2.270 1.00 0.00 H new ATOM 0 HA SER A 65 -11.926 -6.199 1.435 1.00 0.00 H new ATOM 0 HB2 SER A 65 -13.129 -4.211 0.908 1.00 0.00 H new ATOM 0 HB3 SER A 65 -14.318 -5.496 0.824 1.00 0.00 H new ATOM 0 HG SER A 65 -14.933 -3.531 2.059 1.00 0.00 H new ATOM 965 N GLU A 66 -12.601 -5.263 4.503 1.00 0.00 N ATOM 966 CA GLU A 66 -12.037 -4.639 5.694 1.00 0.00 C ATOM 967 C GLU A 66 -10.658 -5.211 6.008 1.00 0.00 C ATOM 968 O GLU A 66 -9.650 -4.508 5.929 1.00 0.00 O ATOM 969 CB GLU A 66 -12.969 -4.840 6.892 1.00 0.00 C ATOM 970 CG GLU A 66 -12.362 -4.405 8.215 1.00 0.00 C ATOM 971 CD GLU A 66 -12.918 -5.179 9.394 1.00 0.00 C ATOM 972 OE1 GLU A 66 -14.158 -5.295 9.495 1.00 0.00 O ATOM 973 OE2 GLU A 66 -12.115 -5.668 10.216 1.00 0.00 O ATOM 0 H GLU A 66 -13.495 -5.731 4.654 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.932 -3.572 5.498 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -13.890 -4.281 6.723 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -13.242 -5.893 6.956 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -11.281 -4.537 8.175 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -12.548 -3.341 8.363 1.00 0.00 H new ATOM 980 N ASP A 67 -10.621 -6.490 6.364 1.00 0.00 N ATOM 981 CA ASP A 67 -9.366 -7.158 6.689 1.00 0.00 C ATOM 982 C ASP A 67 -8.345 -6.969 5.571 1.00 0.00 C ATOM 983 O ASP A 67 -7.152 -6.813 5.828 1.00 0.00 O ATOM 984 CB ASP A 67 -9.605 -8.649 6.931 1.00 0.00 C ATOM 985 CG ASP A 67 -10.611 -8.902 8.037 1.00 0.00 C ATOM 986 OD1 ASP A 67 -11.825 -8.926 7.742 1.00 0.00 O ATOM 987 OD2 ASP A 67 -10.185 -9.076 9.198 1.00 0.00 O ATOM 0 H ASP A 67 -11.446 -7.086 6.435 1.00 0.00 H new ATOM 0 HA ASP A 67 -8.969 -6.709 7.600 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -9.958 -9.112 6.010 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -8.660 -9.129 7.186 1.00 0.00 H new ATOM 992 N ALA A 68 -8.822 -6.985 4.331 1.00 0.00 N ATOM 993 CA ALA A 68 -7.951 -6.815 3.175 1.00 0.00 C ATOM 994 C ALA A 68 -7.186 -5.498 3.254 1.00 0.00 C ATOM 995 O ALA A 68 -5.957 -5.478 3.180 1.00 0.00 O ATOM 996 CB ALA A 68 -8.762 -6.880 1.889 1.00 0.00 C ATOM 0 H ALA A 68 -9.807 -7.114 4.101 1.00 0.00 H new ATOM 0 HA ALA A 68 -7.225 -7.628 3.175 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -8.099 -6.751 1.034 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -9.259 -7.848 1.821 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -9.510 -6.087 1.890 1.00 0.00 H new ATOM 1002 N PHE A 69 -7.919 -4.400 3.403 1.00 0.00 N ATOM 1003 CA PHE A 69 -7.309 -3.079 3.490 1.00 0.00 C ATOM 1004 C PHE A 69 -6.257 -3.037 4.595 1.00 0.00 C ATOM 1005 O PHE A 69 -5.209 -2.409 4.447 1.00 0.00 O ATOM 1006 CB PHE A 69 -8.379 -2.016 3.748 1.00 0.00 C ATOM 1007 CG PHE A 69 -7.838 -0.614 3.768 1.00 0.00 C ATOM 1008 CD1 PHE A 69 -7.004 -0.164 2.758 1.00 0.00 C ATOM 1009 CD2 PHE A 69 -8.164 0.253 4.799 1.00 0.00 C ATOM 1010 CE1 PHE A 69 -6.506 1.125 2.773 1.00 0.00 C ATOM 1011 CE2 PHE A 69 -7.668 1.543 4.820 1.00 0.00 C ATOM 1012 CZ PHE A 69 -6.837 1.979 3.806 1.00 0.00 C ATOM 0 H PHE A 69 -8.937 -4.399 3.466 1.00 0.00 H new ATOM 0 HA PHE A 69 -6.820 -2.869 2.539 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -9.147 -2.090 2.978 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -8.864 -2.224 4.702 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -6.740 -0.829 1.949 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -8.813 -0.083 5.595 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -5.859 1.464 1.978 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -7.930 2.210 5.628 1.00 0.00 H new ATOM 0 HZ PHE A 69 -6.447 2.986 3.821 1.00 0.00 H new ATOM 1022 N LYS A 70 -6.546 -3.710 5.704 1.00 0.00 N ATOM 1023 CA LYS A 70 -5.627 -3.752 6.835 1.00 0.00 C ATOM 1024 C LYS A 70 -4.330 -4.461 6.457 1.00 0.00 C ATOM 1025 O LYS A 70 -3.240 -3.927 6.657 1.00 0.00 O ATOM 1026 CB LYS A 70 -6.281 -4.462 8.023 1.00 0.00 C ATOM 1027 CG LYS A 70 -7.143 -3.549 8.877 1.00 0.00 C ATOM 1028 CD LYS A 70 -8.230 -4.326 9.602 1.00 0.00 C ATOM 1029 CE LYS A 70 -7.653 -5.179 10.721 1.00 0.00 C ATOM 1030 NZ LYS A 70 -7.134 -4.347 11.841 1.00 0.00 N ATOM 0 H LYS A 70 -7.410 -4.234 5.843 1.00 0.00 H new ATOM 0 HA LYS A 70 -5.390 -2.726 7.117 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -6.893 -5.284 7.652 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -5.502 -4.901 8.647 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -6.517 -3.032 9.604 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -7.599 -2.784 8.248 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -8.963 -3.631 10.013 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -8.758 -4.963 8.893 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -8.422 -5.854 11.096 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -6.848 -5.800 10.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -6.970 -4.949 12.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -6.240 -3.900 11.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -7.829 -3.611 12.078 1.00 0.00 H new ATOM 1044 N ALA A 71 -4.457 -5.664 5.908 1.00 0.00 N ATOM 1045 CA ALA A 71 -3.296 -6.444 5.498 1.00 0.00 C ATOM 1046 C ALA A 71 -2.401 -5.643 4.558 1.00 0.00 C ATOM 1047 O ALA A 71 -1.184 -5.596 4.733 1.00 0.00 O ATOM 1048 CB ALA A 71 -3.737 -7.740 4.834 1.00 0.00 C ATOM 0 H ALA A 71 -5.353 -6.120 5.737 1.00 0.00 H new ATOM 0 HA ALA A 71 -2.718 -6.685 6.390 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.859 -8.312 4.533 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -4.328 -8.326 5.537 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -4.340 -7.512 3.955 1.00 0.00 H new ATOM 1054 N VAL A 72 -3.013 -5.014 3.559 1.00 0.00 N ATOM 1055 CA VAL A 72 -2.272 -4.215 2.590 1.00 0.00 C ATOM 1056 C VAL A 72 -1.304 -3.266 3.288 1.00 0.00 C ATOM 1057 O VAL A 72 -0.101 -3.285 3.025 1.00 0.00 O ATOM 1058 CB VAL A 72 -3.221 -3.396 1.695 1.00 0.00 C ATOM 1059 CG1 VAL A 72 -2.429 -2.553 0.707 1.00 0.00 C ATOM 1060 CG2 VAL A 72 -4.190 -4.315 0.967 1.00 0.00 C ATOM 0 H VAL A 72 -4.020 -5.042 3.400 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.710 -4.912 1.968 1.00 0.00 H new ATOM 0 HB VAL A 72 -3.799 -2.723 2.328 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.116 -1.981 0.083 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -1.779 -1.869 1.252 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -1.823 -3.204 0.077 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -4.853 -3.720 0.339 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -3.631 -5.014 0.345 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -4.781 -4.871 1.695 1.00 0.00 H new ATOM 1070 N VAL A 73 -1.836 -2.435 4.179 1.00 0.00 N ATOM 1071 CA VAL A 73 -1.019 -1.479 4.916 1.00 0.00 C ATOM 1072 C VAL A 73 0.158 -2.170 5.594 1.00 0.00 C ATOM 1073 O VAL A 73 1.314 -1.813 5.369 1.00 0.00 O ATOM 1074 CB VAL A 73 -1.848 -0.736 5.981 1.00 0.00 C ATOM 1075 CG1 VAL A 73 -0.963 0.202 6.787 1.00 0.00 C ATOM 1076 CG2 VAL A 73 -2.993 0.024 5.330 1.00 0.00 C ATOM 0 H VAL A 73 -2.830 -2.405 4.408 1.00 0.00 H new ATOM 0 HA VAL A 73 -0.644 -0.757 4.190 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.273 -1.471 6.664 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.566 0.718 7.534 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -0.182 -0.373 7.285 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -0.506 0.934 6.121 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.568 0.543 6.097 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -2.592 0.751 4.623 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -3.641 -0.676 4.802 1.00 0.00 H new ATOM 1086 N ASN A 74 -0.144 -3.161 6.426 1.00 0.00 N ATOM 1087 CA ASN A 74 0.890 -3.903 7.138 1.00 0.00 C ATOM 1088 C ASN A 74 1.963 -4.403 6.174 1.00 0.00 C ATOM 1089 O ASN A 74 3.102 -4.647 6.570 1.00 0.00 O ATOM 1090 CB ASN A 74 0.274 -5.085 7.889 1.00 0.00 C ATOM 1091 CG ASN A 74 -0.247 -4.692 9.258 1.00 0.00 C ATOM 1092 OD1 ASN A 74 0.237 -5.176 10.281 1.00 0.00 O ATOM 1093 ND2 ASN A 74 -1.239 -3.810 9.282 1.00 0.00 N ATOM 0 H ASN A 74 -1.096 -3.469 6.624 1.00 0.00 H new ATOM 0 HA ASN A 74 1.357 -3.228 7.856 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -0.542 -5.502 7.299 1.00 0.00 H new ATOM 0 HB3 ASN A 74 1.021 -5.871 7.999 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -1.631 -3.507 10.174 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -1.609 -3.435 8.409 1.00 0.00 H new ATOM 1100 N ALA A 75 1.590 -4.551 4.907 1.00 0.00 N ATOM 1101 CA ALA A 75 2.520 -5.018 3.887 1.00 0.00 C ATOM 1102 C ALA A 75 3.342 -3.863 3.323 1.00 0.00 C ATOM 1103 O ALA A 75 4.570 -3.929 3.274 1.00 0.00 O ATOM 1104 CB ALA A 75 1.767 -5.726 2.771 1.00 0.00 C ATOM 0 H ALA A 75 0.650 -4.354 4.563 1.00 0.00 H new ATOM 0 HA ALA A 75 3.207 -5.725 4.353 1.00 0.00 H new ATOM 0 HB1 ALA A 75 2.474 -6.070 2.016 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.229 -6.581 3.180 1.00 0.00 H new ATOM 0 HB3 ALA A 75 1.057 -5.035 2.316 1.00 0.00 H new ATOM 1110 N ARG A 76 2.656 -2.807 2.898 1.00 0.00 N ATOM 1111 CA ARG A 76 3.323 -1.639 2.336 1.00 0.00 C ATOM 1112 C ARG A 76 4.206 -0.963 3.380 1.00 0.00 C ATOM 1113 O ARG A 76 5.425 -0.882 3.220 1.00 0.00 O ATOM 1114 CB ARG A 76 2.290 -0.643 1.804 1.00 0.00 C ATOM 1115 CG ARG A 76 2.877 0.717 1.460 1.00 0.00 C ATOM 1116 CD ARG A 76 1.876 1.834 1.711 1.00 0.00 C ATOM 1117 NE ARG A 76 2.060 2.450 3.022 1.00 0.00 N ATOM 1118 CZ ARG A 76 1.619 3.664 3.332 1.00 0.00 C ATOM 1119 NH1 ARG A 76 0.971 4.388 2.430 1.00 0.00 N ATOM 1120 NH2 ARG A 76 1.826 4.156 4.547 1.00 0.00 N ATOM 0 H ARG A 76 1.639 -2.736 2.932 1.00 0.00 H new ATOM 0 HA ARG A 76 3.954 -1.973 1.512 1.00 0.00 H new ATOM 0 HB2 ARG A 76 1.819 -1.061 0.915 1.00 0.00 H new ATOM 0 HB3 ARG A 76 1.505 -0.513 2.549 1.00 0.00 H new ATOM 0 HG2 ARG A 76 3.773 0.889 2.056 1.00 0.00 H new ATOM 0 HG3 ARG A 76 3.183 0.729 0.414 1.00 0.00 H new ATOM 0 HD2 ARG A 76 1.979 2.594 0.936 1.00 0.00 H new ATOM 0 HD3 ARG A 76 0.864 1.437 1.636 1.00 0.00 H new ATOM 0 HE ARG A 76 2.554 1.919 3.739 1.00 0.00 H new ATOM 0 HH11 ARG A 76 0.810 4.013 1.495 1.00 0.00 H new ATOM 0 HH12 ARG A 76 0.633 5.320 2.671 1.00 0.00 H new ATOM 0 HH21 ARG A 76 2.324 3.602 5.244 1.00 0.00 H new ATOM 0 HH22 ARG A 76 1.487 5.088 4.784 1.00 0.00 H new ATOM 1134 N THR A 77 3.584 -0.476 4.449 1.00 0.00 N ATOM 1135 CA THR A 77 4.313 0.195 5.518 1.00 0.00 C ATOM 1136 C THR A 77 5.581 -0.570 5.883 1.00 0.00 C ATOM 1137 O THR A 77 6.659 0.013 5.992 1.00 0.00 O ATOM 1138 CB THR A 77 3.442 0.353 6.779 1.00 0.00 C ATOM 1139 OG1 THR A 77 2.213 1.009 6.446 1.00 0.00 O ATOM 1140 CG2 THR A 77 4.175 1.151 7.846 1.00 0.00 C ATOM 0 H THR A 77 2.577 -0.534 4.597 1.00 0.00 H new ATOM 0 HA THR A 77 4.582 1.183 5.145 1.00 0.00 H new ATOM 0 HB THR A 77 3.228 -0.640 7.173 1.00 0.00 H new ATOM 0 HG1 THR A 77 1.594 0.362 6.048 1.00 0.00 H new ATOM 0 HG21 THR A 77 3.540 1.250 8.727 1.00 0.00 H new ATOM 0 HG22 THR A 77 5.096 0.635 8.118 1.00 0.00 H new ATOM 0 HG23 THR A 77 4.415 2.141 7.459 1.00 0.00 H new ATOM 1148 N ALA A 78 5.444 -1.878 6.071 1.00 0.00 N ATOM 1149 CA ALA A 78 6.579 -2.723 6.421 1.00 0.00 C ATOM 1150 C ALA A 78 7.650 -2.680 5.336 1.00 0.00 C ATOM 1151 O ALA A 78 8.824 -2.435 5.618 1.00 0.00 O ATOM 1152 CB ALA A 78 6.119 -4.154 6.656 1.00 0.00 C ATOM 0 H ALA A 78 4.558 -2.376 5.987 1.00 0.00 H new ATOM 0 HA ALA A 78 7.017 -2.338 7.342 1.00 0.00 H new ATOM 0 HB1 ALA A 78 6.977 -4.774 6.917 1.00 0.00 H new ATOM 0 HB2 ALA A 78 5.396 -4.174 7.471 1.00 0.00 H new ATOM 0 HB3 ALA A 78 5.654 -4.540 5.749 1.00 0.00 H new ATOM 1158 N LEU A 79 7.239 -2.922 4.096 1.00 0.00 N ATOM 1159 CA LEU A 79 8.164 -2.911 2.968 1.00 0.00 C ATOM 1160 C LEU A 79 8.895 -1.576 2.875 1.00 0.00 C ATOM 1161 O LEU A 79 10.125 -1.528 2.866 1.00 0.00 O ATOM 1162 CB LEU A 79 7.413 -3.187 1.665 1.00 0.00 C ATOM 1163 CG LEU A 79 6.851 -4.600 1.499 1.00 0.00 C ATOM 1164 CD1 LEU A 79 5.835 -4.641 0.369 1.00 0.00 C ATOM 1165 CD2 LEU A 79 7.975 -5.594 1.245 1.00 0.00 C ATOM 0 H LEU A 79 6.272 -3.128 3.846 1.00 0.00 H new ATOM 0 HA LEU A 79 8.902 -3.697 3.128 1.00 0.00 H new ATOM 0 HB2 LEU A 79 6.588 -2.478 1.588 1.00 0.00 H new ATOM 0 HB3 LEU A 79 8.086 -2.985 0.832 1.00 0.00 H new ATOM 0 HG LEU A 79 6.346 -4.881 2.423 1.00 0.00 H new ATOM 0 HD11 LEU A 79 5.446 -5.654 0.266 1.00 0.00 H new ATOM 0 HD12 LEU A 79 5.015 -3.959 0.592 1.00 0.00 H new ATOM 0 HD13 LEU A 79 6.314 -4.340 -0.562 1.00 0.00 H new ATOM 0 HD21 LEU A 79 7.557 -6.594 1.129 1.00 0.00 H new ATOM 0 HD22 LEU A 79 8.508 -5.316 0.336 1.00 0.00 H new ATOM 0 HD23 LEU A 79 8.666 -5.585 2.088 1.00 0.00 H new ATOM 1177 N LEU A 80 8.129 -0.492 2.808 1.00 0.00 N ATOM 1178 CA LEU A 80 8.703 0.846 2.717 1.00 0.00 C ATOM 1179 C LEU A 80 9.716 1.080 3.833 1.00 0.00 C ATOM 1180 O LEU A 80 10.861 1.455 3.579 1.00 0.00 O ATOM 1181 CB LEU A 80 7.598 1.902 2.786 1.00 0.00 C ATOM 1182 CG LEU A 80 6.526 1.824 1.698 1.00 0.00 C ATOM 1183 CD1 LEU A 80 5.488 2.918 1.892 1.00 0.00 C ATOM 1184 CD2 LEU A 80 7.159 1.926 0.318 1.00 0.00 C ATOM 0 H LEU A 80 7.109 -0.514 2.815 1.00 0.00 H new ATOM 0 HA LEU A 80 9.218 0.930 1.760 1.00 0.00 H new ATOM 0 HB2 LEU A 80 7.108 1.824 3.757 1.00 0.00 H new ATOM 0 HB3 LEU A 80 8.062 2.888 2.741 1.00 0.00 H new ATOM 0 HG LEU A 80 6.026 0.859 1.776 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.733 2.847 1.109 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.013 2.800 2.866 1.00 0.00 H new ATOM 0 HD13 LEU A 80 5.973 3.893 1.841 1.00 0.00 H new ATOM 0 HD21 LEU A 80 6.382 1.869 -0.444 1.00 0.00 H new ATOM 0 HD22 LEU A 80 7.685 2.876 0.229 1.00 0.00 H new ATOM 0 HD23 LEU A 80 7.864 1.106 0.180 1.00 0.00 H new ATOM 1196 N LYS A 81 9.288 0.855 5.071 1.00 0.00 N ATOM 1197 CA LYS A 81 10.157 1.038 6.227 1.00 0.00 C ATOM 1198 C LYS A 81 11.575 0.565 5.922 1.00 0.00 C ATOM 1199 O LYS A 81 12.550 1.185 6.343 1.00 0.00 O ATOM 1200 CB LYS A 81 9.603 0.277 7.433 1.00 0.00 C ATOM 1201 CG LYS A 81 8.475 1.004 8.145 1.00 0.00 C ATOM 1202 CD LYS A 81 7.812 0.119 9.188 1.00 0.00 C ATOM 1203 CE LYS A 81 8.485 0.258 10.545 1.00 0.00 C ATOM 1204 NZ LYS A 81 7.633 -0.278 11.643 1.00 0.00 N ATOM 0 H LYS A 81 8.343 0.545 5.299 1.00 0.00 H new ATOM 0 HA LYS A 81 10.190 2.102 6.460 1.00 0.00 H new ATOM 0 HB2 LYS A 81 9.245 -0.698 7.103 1.00 0.00 H new ATOM 0 HB3 LYS A 81 10.412 0.097 8.141 1.00 0.00 H new ATOM 0 HG2 LYS A 81 8.865 1.902 8.623 1.00 0.00 H new ATOM 0 HG3 LYS A 81 7.732 1.328 7.416 1.00 0.00 H new ATOM 0 HD2 LYS A 81 6.758 0.383 9.274 1.00 0.00 H new ATOM 0 HD3 LYS A 81 7.854 -0.921 8.864 1.00 0.00 H new ATOM 0 HE2 LYS A 81 9.438 -0.271 10.534 1.00 0.00 H new ATOM 0 HE3 LYS A 81 8.705 1.308 10.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 8.126 -0.165 12.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 6.733 0.243 11.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 7.444 -1.287 11.475 1.00 0.00 H new ATOM 1218 N ASN A 82 11.680 -0.536 5.185 1.00 0.00 N ATOM 1219 CA ASN A 82 12.979 -1.092 4.823 1.00 0.00 C ATOM 1220 C ASN A 82 13.566 -0.362 3.618 1.00 0.00 C ATOM 1221 O ASN A 82 14.777 -0.156 3.534 1.00 0.00 O ATOM 1222 CB ASN A 82 12.851 -2.585 4.516 1.00 0.00 C ATOM 1223 CG ASN A 82 14.141 -3.341 4.773 1.00 0.00 C ATOM 1224 OD1 ASN A 82 14.739 -3.901 3.853 1.00 0.00 O ATOM 1225 ND2 ASN A 82 14.576 -3.360 6.027 1.00 0.00 N ATOM 0 H ASN A 82 10.882 -1.061 4.827 1.00 0.00 H new ATOM 0 HA ASN A 82 13.652 -0.959 5.670 1.00 0.00 H new ATOM 0 HB2 ASN A 82 12.055 -3.012 5.126 1.00 0.00 H new ATOM 0 HB3 ASN A 82 12.558 -2.715 3.474 1.00 0.00 H new ATOM 0 HD21 ASN A 82 15.438 -3.852 6.260 1.00 0.00 H new ATOM 0 HD22 ASN A 82 14.048 -2.882 6.757 1.00 0.00 H new ATOM 1232 N ILE A 83 12.699 0.025 2.688 1.00 0.00 N ATOM 1233 CA ILE A 83 13.131 0.733 1.489 1.00 0.00 C ATOM 1234 C ILE A 83 13.765 2.074 1.841 1.00 0.00 C ATOM 1235 O ILE A 83 14.818 2.433 1.314 1.00 0.00 O ATOM 1236 CB ILE A 83 11.956 0.971 0.523 1.00 0.00 C ATOM 1237 CG1 ILE A 83 11.444 -0.360 -0.031 1.00 0.00 C ATOM 1238 CG2 ILE A 83 12.380 1.894 -0.610 1.00 0.00 C ATOM 1239 CD1 ILE A 83 10.153 -0.234 -0.809 1.00 0.00 C ATOM 0 H ILE A 83 11.694 -0.140 2.742 1.00 0.00 H new ATOM 0 HA ILE A 83 13.872 0.101 0.999 1.00 0.00 H new ATOM 0 HB ILE A 83 11.146 1.450 1.072 1.00 0.00 H new ATOM 0 HG12 ILE A 83 12.207 -0.793 -0.677 1.00 0.00 H new ATOM 0 HG13 ILE A 83 11.294 -1.055 0.795 1.00 0.00 H new ATOM 0 HG21 ILE A 83 11.538 2.053 -1.284 1.00 0.00 H new ATOM 0 HG22 ILE A 83 12.701 2.851 -0.199 1.00 0.00 H new ATOM 0 HG23 ILE A 83 13.205 1.440 -1.160 1.00 0.00 H new ATOM 0 HD11 ILE A 83 9.849 -1.216 -1.172 1.00 0.00 H new ATOM 0 HD12 ILE A 83 9.375 0.170 -0.161 1.00 0.00 H new ATOM 0 HD13 ILE A 83 10.303 0.435 -1.656 1.00 0.00 H new ATOM 1251 N LYS A 84 13.119 2.811 2.738 1.00 0.00 N ATOM 1252 CA LYS A 84 13.620 4.112 3.164 1.00 0.00 C ATOM 1253 C LYS A 84 15.132 4.074 3.362 1.00 0.00 C ATOM 1254 O LYS A 84 15.856 4.930 2.852 1.00 0.00 O ATOM 1255 CB LYS A 84 12.936 4.545 4.463 1.00 0.00 C ATOM 1256 CG LYS A 84 13.162 6.006 4.812 1.00 0.00 C ATOM 1257 CD LYS A 84 12.590 6.347 6.178 1.00 0.00 C ATOM 1258 CE LYS A 84 11.120 6.730 6.086 1.00 0.00 C ATOM 1259 NZ LYS A 84 10.229 5.547 6.239 1.00 0.00 N ATOM 0 H LYS A 84 12.246 2.529 3.184 1.00 0.00 H new ATOM 0 HA LYS A 84 13.391 4.835 2.381 1.00 0.00 H new ATOM 0 HB2 LYS A 84 11.865 4.362 4.378 1.00 0.00 H new ATOM 0 HB3 LYS A 84 13.302 3.924 5.281 1.00 0.00 H new ATOM 0 HG2 LYS A 84 14.230 6.223 4.799 1.00 0.00 H new ATOM 0 HG3 LYS A 84 12.699 6.638 4.054 1.00 0.00 H new ATOM 0 HD2 LYS A 84 12.704 5.492 6.845 1.00 0.00 H new ATOM 0 HD3 LYS A 84 13.155 7.170 6.615 1.00 0.00 H new ATOM 0 HE2 LYS A 84 10.887 7.463 6.858 1.00 0.00 H new ATOM 0 HE3 LYS A 84 10.928 7.207 5.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 9.556 5.514 5.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 10.802 4.679 6.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 9.705 5.620 7.135 1.00 0.00 H new ATOM 1273 N SER A 85 15.603 3.077 4.104 1.00 0.00 N ATOM 1274 CA SER A 85 17.029 2.929 4.370 1.00 0.00 C ATOM 1275 C SER A 85 17.565 4.132 5.141 1.00 0.00 C ATOM 1276 O SER A 85 18.623 4.670 4.817 1.00 0.00 O ATOM 1277 CB SER A 85 17.800 2.764 3.059 1.00 0.00 C ATOM 1278 OG SER A 85 17.449 1.554 2.410 1.00 0.00 O ATOM 0 H SER A 85 15.018 2.359 4.532 1.00 0.00 H new ATOM 0 HA SER A 85 17.169 2.036 4.980 1.00 0.00 H new ATOM 0 HB2 SER A 85 17.590 3.607 2.401 1.00 0.00 H new ATOM 0 HB3 SER A 85 18.871 2.775 3.260 1.00 0.00 H new ATOM 0 HG SER A 85 16.576 1.656 1.977 1.00 0.00 H new ATOM 1284 N GLY A 86 16.825 4.550 6.163 1.00 0.00 N ATOM 1285 CA GLY A 86 17.241 5.686 6.965 1.00 0.00 C ATOM 1286 C GLY A 86 17.312 5.358 8.443 1.00 0.00 C ATOM 1287 O GLY A 86 16.834 4.317 8.893 1.00 0.00 O ATOM 0 H GLY A 86 15.945 4.122 6.450 1.00 0.00 H new ATOM 0 HA2 GLY A 86 18.218 6.028 6.625 1.00 0.00 H new ATOM 0 HA3 GLY A 86 16.544 6.510 6.812 1.00 0.00 H new ATOM 1291 N PRO A 87 17.923 6.261 9.224 1.00 0.00 N ATOM 1292 CA PRO A 87 18.071 6.084 10.672 1.00 0.00 C ATOM 1293 C PRO A 87 16.741 6.201 11.409 1.00 0.00 C ATOM 1294 O PRO A 87 16.692 6.120 12.636 1.00 0.00 O ATOM 1295 CB PRO A 87 19.008 7.225 11.075 1.00 0.00 C ATOM 1296 CG PRO A 87 18.808 8.267 10.030 1.00 0.00 C ATOM 1297 CD PRO A 87 18.517 7.524 8.755 1.00 0.00 C ATOM 0 HA PRO A 87 18.450 5.094 10.925 1.00 0.00 H new ATOM 0 HB2 PRO A 87 18.763 7.607 12.066 1.00 0.00 H new ATOM 0 HB3 PRO A 87 20.045 6.892 11.109 1.00 0.00 H new ATOM 0 HG2 PRO A 87 17.983 8.930 10.292 1.00 0.00 H new ATOM 0 HG3 PRO A 87 19.696 8.890 9.925 1.00 0.00 H new ATOM 0 HD2 PRO A 87 17.830 8.078 8.115 1.00 0.00 H new ATOM 0 HD3 PRO A 87 19.423 7.351 8.175 1.00 0.00 H new ATOM 1305 N SER A 88 15.665 6.392 10.652 1.00 0.00 N ATOM 1306 CA SER A 88 14.335 6.523 11.235 1.00 0.00 C ATOM 1307 C SER A 88 14.005 5.320 12.113 1.00 0.00 C ATOM 1308 O SER A 88 14.620 4.261 11.990 1.00 0.00 O ATOM 1309 CB SER A 88 13.284 6.668 10.132 1.00 0.00 C ATOM 1310 OG SER A 88 13.303 5.551 9.260 1.00 0.00 O ATOM 0 H SER A 88 15.688 6.459 9.634 1.00 0.00 H new ATOM 0 HA SER A 88 14.325 7.418 11.857 1.00 0.00 H new ATOM 0 HB2 SER A 88 12.295 6.768 10.579 1.00 0.00 H new ATOM 0 HB3 SER A 88 13.471 7.580 9.565 1.00 0.00 H new ATOM 0 HG SER A 88 12.384 5.304 9.025 1.00 0.00 H new ATOM 1316 N SER A 89 13.029 5.492 12.999 1.00 0.00 N ATOM 1317 CA SER A 89 12.618 4.422 13.901 1.00 0.00 C ATOM 1318 C SER A 89 11.582 3.520 13.238 1.00 0.00 C ATOM 1319 O SER A 89 11.638 2.298 13.360 1.00 0.00 O ATOM 1320 CB SER A 89 12.049 5.008 15.194 1.00 0.00 C ATOM 1321 OG SER A 89 13.001 5.832 15.844 1.00 0.00 O ATOM 0 H SER A 89 12.508 6.362 13.112 1.00 0.00 H new ATOM 0 HA SER A 89 13.497 3.822 14.138 1.00 0.00 H new ATOM 0 HB2 SER A 89 11.154 5.588 14.971 1.00 0.00 H new ATOM 0 HB3 SER A 89 11.747 4.200 15.861 1.00 0.00 H new ATOM 0 HG SER A 89 12.612 6.195 16.667 1.00 0.00 H new ATOM 1327 N GLY A 90 10.635 4.135 12.534 1.00 0.00 N ATOM 1328 CA GLY A 90 9.599 3.373 11.862 1.00 0.00 C ATOM 1329 C GLY A 90 8.488 4.254 11.326 1.00 0.00 C ATOM 1330 O GLY A 90 7.410 4.333 11.916 1.00 0.00 O ATOM 0 H GLY A 90 10.568 5.146 12.418 1.00 0.00 H new ATOM 0 HA2 GLY A 90 10.041 2.810 11.040 1.00 0.00 H new ATOM 0 HA3 GLY A 90 9.179 2.645 12.556 1.00 0.00 H new TER 1334 GLY A 90