USER MOD reduce.3.24.130724 H: found=0, std=0, add=851, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 848 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 59 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 61 SER OG : rot 180:sc= 0 USER MOD Set 1.3: A 63 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Set 2.1: A 33 THR OG1 : rot 171:sc= 1.04 USER MOD Set 2.2: A 75 THR OG1 : rot -49:sc= 1.22 USER MOD Single : A 1 GLY N :NH3+ -113:sc= 0.885 (180deg=-0.0068) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 26:sc= 0.0566 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 78:sc= 1.22 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -0.17 K(o=-0.17,f=-2.1) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc=0.000483 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.23 USER MOD Single : A 28 THR OG1 : rot -47:sc= 1.35 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.0968 K(o=-0.097,f=-1.5) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot -101:sc= 0.0145 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 160:sc= 0.456 USER MOD Single : A 56 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.0015) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.0286 USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=-0.0079) USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.0728 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.00189 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 83 THR OG1 : rot 70:sc= 1.19 USER MOD Single : A 85 TYR OH : rot 180:sc= 0.409 USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= 0.286 K(o=0.29,f=-6.5!) USER MOD Single : A 95 GLN : amide:sc= -0.0397 X(o=-0.04,f=-0.48) USER MOD Single : A 98 SER OG : rot 70:sc= 0.472 USER MOD Single : A 101 SER OG : rot 77:sc= 1.87 USER MOD Single : A 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 104 SER OG : rot -70:sc= 0.133 USER MOD Single : A 109 THR OG1 : rot -145:sc= 1.71 USER MOD Single : A 110 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 112 SER OG : rot -44:sc= 0.145 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 16.044 12.688 3.365 1.00 0.00 N ATOM 2 CA GLY A 1 15.898 14.028 2.784 1.00 0.00 C ATOM 3 C GLY A 1 15.433 14.983 3.861 1.00 0.00 C ATOM 4 O GLY A 1 16.148 15.173 4.843 1.00 0.00 O ATOM 0 H1 GLY A 1 17.049 12.419 3.370 1.00 0.00 H new ATOM 0 H2 GLY A 1 15.682 12.691 4.340 1.00 0.00 H new ATOM 0 H3 GLY A 1 15.505 12.003 2.798 1.00 0.00 H new ATOM 0 HA2 GLY A 1 16.848 14.363 2.368 1.00 0.00 H new ATOM 0 HA3 GLY A 1 15.180 14.007 1.964 1.00 0.00 H new ATOM 8 N SER A 2 14.246 15.579 3.716 1.00 0.00 N ATOM 9 CA SER A 2 13.704 16.525 4.695 1.00 0.00 C ATOM 10 C SER A 2 13.257 15.864 6.011 1.00 0.00 C ATOM 11 O SER A 2 12.835 16.557 6.936 1.00 0.00 O ATOM 12 CB SER A 2 12.569 17.317 4.049 1.00 0.00 C ATOM 13 OG SER A 2 13.030 17.913 2.848 1.00 0.00 O ATOM 0 H SER A 2 13.634 15.419 2.916 1.00 0.00 H new ATOM 0 HA SER A 2 14.510 17.201 4.982 1.00 0.00 H new ATOM 0 HB2 SER A 2 11.726 16.659 3.840 1.00 0.00 H new ATOM 0 HB3 SER A 2 12.212 18.085 4.735 1.00 0.00 H new ATOM 0 HG SER A 2 12.301 18.420 2.433 1.00 0.00 H new ATOM 19 N SER A 3 13.390 14.544 6.134 1.00 0.00 N ATOM 20 CA SER A 3 13.612 13.887 7.406 1.00 0.00 C ATOM 21 C SER A 3 14.746 12.884 7.225 1.00 0.00 C ATOM 22 O SER A 3 15.074 12.471 6.104 1.00 0.00 O ATOM 23 CB SER A 3 12.322 13.233 7.914 1.00 0.00 C ATOM 24 OG SER A 3 11.543 14.189 8.612 1.00 0.00 O ATOM 0 H SER A 3 13.345 13.902 5.343 1.00 0.00 H new ATOM 0 HA SER A 3 13.900 14.610 8.169 1.00 0.00 H new ATOM 0 HB2 SER A 3 11.754 12.829 7.076 1.00 0.00 H new ATOM 0 HB3 SER A 3 12.561 12.396 8.570 1.00 0.00 H new ATOM 0 HG SER A 3 11.762 15.088 8.289 1.00 0.00 H new ATOM 30 N GLY A 4 15.348 12.505 8.344 1.00 0.00 N ATOM 31 CA GLY A 4 16.504 11.637 8.444 1.00 0.00 C ATOM 32 C GLY A 4 16.478 10.808 9.720 1.00 0.00 C ATOM 33 O GLY A 4 17.508 10.234 10.074 1.00 0.00 O ATOM 0 H GLY A 4 15.020 12.816 9.258 1.00 0.00 H new ATOM 0 HA2 GLY A 4 16.536 10.974 7.580 1.00 0.00 H new ATOM 0 HA3 GLY A 4 17.413 12.238 8.419 1.00 0.00 H new ATOM 37 N SER A 5 15.335 10.725 10.410 1.00 0.00 N ATOM 38 CA SER A 5 15.117 9.796 11.501 1.00 0.00 C ATOM 39 C SER A 5 13.676 9.287 11.444 1.00 0.00 C ATOM 40 O SER A 5 12.777 9.945 10.908 1.00 0.00 O ATOM 41 CB SER A 5 15.433 10.489 12.839 1.00 0.00 C ATOM 42 OG SER A 5 16.022 9.565 13.740 1.00 0.00 O ATOM 0 H SER A 5 14.527 11.316 10.215 1.00 0.00 H new ATOM 0 HA SER A 5 15.782 8.937 11.411 1.00 0.00 H new ATOM 0 HB2 SER A 5 16.109 11.327 12.672 1.00 0.00 H new ATOM 0 HB3 SER A 5 14.519 10.897 13.271 1.00 0.00 H new ATOM 0 HG SER A 5 16.221 10.016 14.587 1.00 0.00 H new ATOM 48 N SER A 6 13.469 8.107 12.015 1.00 0.00 N ATOM 49 CA SER A 6 12.184 7.471 12.247 1.00 0.00 C ATOM 50 C SER A 6 12.361 6.503 13.423 1.00 0.00 C ATOM 51 O SER A 6 13.477 6.359 13.934 1.00 0.00 O ATOM 52 CB SER A 6 11.687 6.781 10.963 1.00 0.00 C ATOM 53 OG SER A 6 12.733 6.157 10.232 1.00 0.00 O ATOM 0 H SER A 6 14.245 7.535 12.348 1.00 0.00 H new ATOM 0 HA SER A 6 11.415 8.199 12.504 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.937 6.034 11.224 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.195 7.517 10.327 1.00 0.00 H new ATOM 0 HG SER A 6 12.963 5.303 10.655 1.00 0.00 H new ATOM 59 N GLY A 7 11.289 5.846 13.871 1.00 0.00 N ATOM 60 CA GLY A 7 11.359 4.872 14.950 1.00 0.00 C ATOM 61 C GLY A 7 12.262 3.724 14.516 1.00 0.00 C ATOM 62 O GLY A 7 13.283 3.439 15.148 1.00 0.00 O ATOM 0 H GLY A 7 10.351 5.978 13.493 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.749 5.338 15.855 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.363 4.500 15.188 1.00 0.00 H new ATOM 66 N LYS A 8 11.896 3.057 13.421 1.00 0.00 N ATOM 67 CA LYS A 8 12.779 2.121 12.732 1.00 0.00 C ATOM 68 C LYS A 8 13.772 2.898 11.867 1.00 0.00 C ATOM 69 O LYS A 8 13.603 4.097 11.635 1.00 0.00 O ATOM 70 CB LYS A 8 11.936 1.154 11.886 1.00 0.00 C ATOM 71 CG LYS A 8 11.184 0.169 12.789 1.00 0.00 C ATOM 72 CD LYS A 8 10.379 -0.818 11.944 1.00 0.00 C ATOM 73 CE LYS A 8 9.614 -1.782 12.851 1.00 0.00 C ATOM 74 NZ LYS A 8 8.767 -2.703 12.080 1.00 0.00 N ATOM 0 H LYS A 8 10.977 3.152 12.988 1.00 0.00 H new ATOM 0 HA LYS A 8 13.346 1.536 13.456 1.00 0.00 H new ATOM 0 HB2 LYS A 8 11.226 1.716 11.280 1.00 0.00 H new ATOM 0 HB3 LYS A 8 12.580 0.607 11.198 1.00 0.00 H new ATOM 0 HG2 LYS A 8 11.892 -0.372 13.417 1.00 0.00 H new ATOM 0 HG3 LYS A 8 10.517 0.714 13.457 1.00 0.00 H new ATOM 0 HD2 LYS A 8 9.682 -0.277 11.304 1.00 0.00 H new ATOM 0 HD3 LYS A 8 11.047 -1.376 11.288 1.00 0.00 H new ATOM 0 HE2 LYS A 8 10.321 -2.355 13.451 1.00 0.00 H new ATOM 0 HE3 LYS A 8 8.995 -1.214 13.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 8.265 -3.340 12.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 8.075 -2.158 11.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 9.361 -3.264 11.436 1.00 0.00 H new ATOM 88 N ASN A 9 14.792 2.200 11.377 1.00 0.00 N ATOM 89 CA ASN A 9 15.813 2.696 10.463 1.00 0.00 C ATOM 90 C ASN A 9 15.898 1.670 9.339 1.00 0.00 C ATOM 91 O ASN A 9 16.127 0.491 9.623 1.00 0.00 O ATOM 92 CB ASN A 9 17.155 2.846 11.206 1.00 0.00 C ATOM 93 CG ASN A 9 18.352 3.139 10.300 1.00 0.00 C ATOM 94 OD1 ASN A 9 18.233 3.436 9.110 1.00 0.00 O ATOM 95 ND2 ASN A 9 19.554 3.070 10.843 1.00 0.00 N ATOM 0 H ASN A 9 14.935 1.220 11.621 1.00 0.00 H new ATOM 0 HA ASN A 9 15.570 3.681 10.063 1.00 0.00 H new ATOM 0 HB2 ASN A 9 17.063 3.649 11.937 1.00 0.00 H new ATOM 0 HB3 ASN A 9 17.352 1.930 11.762 1.00 0.00 H new ATOM 0 HD21 ASN A 9 20.381 3.262 10.278 1.00 0.00 H new ATOM 0 HD22 ASN A 9 19.655 2.824 11.828 1.00 0.00 H new ATOM 102 N TYR A 10 15.701 2.119 8.095 1.00 0.00 N ATOM 103 CA TYR A 10 15.616 1.312 6.879 1.00 0.00 C ATOM 104 C TYR A 10 14.511 0.250 6.926 1.00 0.00 C ATOM 105 O TYR A 10 13.741 0.159 7.887 1.00 0.00 O ATOM 106 CB TYR A 10 16.998 0.732 6.520 1.00 0.00 C ATOM 107 CG TYR A 10 17.554 1.238 5.202 1.00 0.00 C ATOM 108 CD1 TYR A 10 17.870 2.603 5.058 1.00 0.00 C ATOM 109 CD2 TYR A 10 17.776 0.351 4.130 1.00 0.00 C ATOM 110 CE1 TYR A 10 18.417 3.082 3.856 1.00 0.00 C ATOM 111 CE2 TYR A 10 18.341 0.819 2.930 1.00 0.00 C ATOM 112 CZ TYR A 10 18.669 2.186 2.793 1.00 0.00 C ATOM 113 OH TYR A 10 19.194 2.659 1.633 1.00 0.00 O ATOM 0 H TYR A 10 15.590 3.114 7.902 1.00 0.00 H new ATOM 0 HA TYR A 10 15.315 1.977 6.069 1.00 0.00 H new ATOM 0 HB2 TYR A 10 17.701 0.975 7.317 1.00 0.00 H new ATOM 0 HB3 TYR A 10 16.925 -0.355 6.479 1.00 0.00 H new ATOM 0 HD1 TYR A 10 17.691 3.285 5.876 1.00 0.00 H new ATOM 0 HD2 TYR A 10 17.512 -0.691 4.230 1.00 0.00 H new ATOM 0 HE1 TYR A 10 18.644 4.132 3.745 1.00 0.00 H new ATOM 0 HE2 TYR A 10 18.524 0.134 2.115 1.00 0.00 H new ATOM 0 HH TYR A 10 19.309 1.919 1.001 1.00 0.00 H new ATOM 123 N ASP A 11 14.399 -0.508 5.838 1.00 0.00 N ATOM 124 CA ASP A 11 13.581 -1.703 5.710 1.00 0.00 C ATOM 125 C ASP A 11 14.227 -2.574 4.637 1.00 0.00 C ATOM 126 O ASP A 11 15.018 -2.086 3.818 1.00 0.00 O ATOM 127 CB ASP A 11 12.141 -1.346 5.293 1.00 0.00 C ATOM 128 CG ASP A 11 11.150 -1.617 6.418 1.00 0.00 C ATOM 129 OD1 ASP A 11 11.025 -2.790 6.824 1.00 0.00 O ATOM 130 OD2 ASP A 11 10.478 -0.660 6.889 1.00 0.00 O ATOM 0 H ASP A 11 14.904 -0.291 4.979 1.00 0.00 H new ATOM 0 HA ASP A 11 13.525 -2.224 6.666 1.00 0.00 H new ATOM 0 HB2 ASP A 11 12.093 -0.294 5.010 1.00 0.00 H new ATOM 0 HB3 ASP A 11 11.862 -1.926 4.413 1.00 0.00 H new ATOM 135 N LEU A 12 13.834 -3.847 4.579 1.00 0.00 N ATOM 136 CA LEU A 12 14.120 -4.721 3.449 1.00 0.00 C ATOM 137 C LEU A 12 13.000 -4.517 2.421 1.00 0.00 C ATOM 138 O LEU A 12 12.181 -5.413 2.211 1.00 0.00 O ATOM 139 CB LEU A 12 14.241 -6.191 3.907 1.00 0.00 C ATOM 140 CG LEU A 12 15.344 -6.498 4.944 1.00 0.00 C ATOM 141 CD1 LEU A 12 15.523 -8.018 5.084 1.00 0.00 C ATOM 142 CD2 LEU A 12 16.706 -5.899 4.579 1.00 0.00 C ATOM 0 H LEU A 12 13.304 -4.301 5.323 1.00 0.00 H new ATOM 0 HA LEU A 12 15.079 -4.473 2.994 1.00 0.00 H new ATOM 0 HB2 LEU A 12 13.283 -6.498 4.326 1.00 0.00 H new ATOM 0 HB3 LEU A 12 14.417 -6.810 3.027 1.00 0.00 H new ATOM 0 HG LEU A 12 15.012 -6.043 5.877 1.00 0.00 H new ATOM 0 HD11 LEU A 12 16.302 -8.227 5.817 1.00 0.00 H new ATOM 0 HD12 LEU A 12 14.586 -8.466 5.414 1.00 0.00 H new ATOM 0 HD13 LEU A 12 15.808 -8.441 4.121 1.00 0.00 H new ATOM 0 HD21 LEU A 12 17.434 -6.153 5.350 1.00 0.00 H new ATOM 0 HD22 LEU A 12 17.036 -6.302 3.622 1.00 0.00 H new ATOM 0 HD23 LEU A 12 16.619 -4.815 4.506 1.00 0.00 H new ATOM 154 N SER A 13 12.916 -3.317 1.835 1.00 0.00 N ATOM 155 CA SER A 13 11.816 -2.927 0.965 1.00 0.00 C ATOM 156 C SER A 13 12.319 -2.081 -0.200 1.00 0.00 C ATOM 157 O SER A 13 13.205 -1.240 -0.022 1.00 0.00 O ATOM 158 CB SER A 13 10.770 -2.153 1.782 1.00 0.00 C ATOM 159 OG SER A 13 9.571 -2.011 1.041 1.00 0.00 O ATOM 0 H SER A 13 13.619 -2.588 1.956 1.00 0.00 H new ATOM 0 HA SER A 13 11.357 -3.824 0.550 1.00 0.00 H new ATOM 0 HB2 SER A 13 10.568 -2.677 2.716 1.00 0.00 H new ATOM 0 HB3 SER A 13 11.160 -1.170 2.046 1.00 0.00 H new ATOM 0 HG SER A 13 8.913 -1.518 1.574 1.00 0.00 H new ATOM 165 N ASP A 14 11.679 -2.250 -1.360 1.00 0.00 N ATOM 166 CA ASP A 14 11.858 -1.444 -2.564 1.00 0.00 C ATOM 167 C ASP A 14 10.527 -0.776 -2.968 1.00 0.00 C ATOM 168 O ASP A 14 10.341 -0.385 -4.126 1.00 0.00 O ATOM 169 CB ASP A 14 12.422 -2.292 -3.716 1.00 0.00 C ATOM 170 CG ASP A 14 13.846 -2.813 -3.508 1.00 0.00 C ATOM 171 OD1 ASP A 14 14.805 -2.010 -3.412 1.00 0.00 O ATOM 172 OD2 ASP A 14 14.056 -4.045 -3.576 1.00 0.00 O ATOM 0 H ASP A 14 10.989 -2.990 -1.488 1.00 0.00 H new ATOM 0 HA ASP A 14 12.582 -0.659 -2.346 1.00 0.00 H new ATOM 0 HB2 ASP A 14 11.761 -3.144 -3.876 1.00 0.00 H new ATOM 0 HB3 ASP A 14 12.400 -1.696 -4.628 1.00 0.00 H new ATOM 177 N LEU A 15 9.581 -0.662 -2.033 1.00 0.00 N ATOM 178 CA LEU A 15 8.213 -0.186 -2.238 1.00 0.00 C ATOM 179 C LEU A 15 8.038 1.218 -1.639 1.00 0.00 C ATOM 180 O LEU A 15 8.805 1.566 -0.738 1.00 0.00 O ATOM 181 CB LEU A 15 7.251 -1.166 -1.546 1.00 0.00 C ATOM 182 CG LEU A 15 7.318 -2.603 -2.083 1.00 0.00 C ATOM 183 CD1 LEU A 15 6.576 -3.508 -1.102 1.00 0.00 C ATOM 184 CD2 LEU A 15 6.705 -2.714 -3.484 1.00 0.00 C ATOM 0 H LEU A 15 9.759 -0.913 -1.061 1.00 0.00 H new ATOM 0 HA LEU A 15 8.000 -0.133 -3.306 1.00 0.00 H new ATOM 0 HB2 LEU A 15 7.470 -1.179 -0.478 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.232 -0.796 -1.658 1.00 0.00 H new ATOM 0 HG LEU A 15 8.361 -2.907 -2.171 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.608 -4.537 -1.460 1.00 0.00 H new ATOM 0 HD12 LEU A 15 7.051 -3.450 -0.123 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.538 -3.184 -1.022 1.00 0.00 H new ATOM 0 HD21 LEU A 15 6.771 -3.746 -3.829 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.659 -2.410 -3.449 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.248 -2.066 -4.171 1.00 0.00 H new ATOM 196 N PRO A 16 7.030 2.007 -2.066 1.00 0.00 N ATOM 197 CA PRO A 16 6.722 3.299 -1.463 1.00 0.00 C ATOM 198 C PRO A 16 6.342 3.156 0.012 1.00 0.00 C ATOM 199 O PRO A 16 5.886 2.095 0.446 1.00 0.00 O ATOM 200 CB PRO A 16 5.555 3.905 -2.257 1.00 0.00 C ATOM 201 CG PRO A 16 5.231 2.907 -3.368 1.00 0.00 C ATOM 202 CD PRO A 16 6.023 1.645 -3.040 1.00 0.00 C ATOM 0 HA PRO A 16 7.600 3.943 -1.500 1.00 0.00 H new ATOM 0 HB2 PRO A 16 4.689 4.067 -1.614 1.00 0.00 H new ATOM 0 HB3 PRO A 16 5.829 4.875 -2.673 1.00 0.00 H new ATOM 0 HG2 PRO A 16 4.162 2.698 -3.406 1.00 0.00 H new ATOM 0 HG3 PRO A 16 5.513 3.303 -4.343 1.00 0.00 H new ATOM 0 HD2 PRO A 16 5.366 0.872 -2.643 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.487 1.239 -3.939 1.00 0.00 H new ATOM 210 N GLY A 17 6.420 4.259 0.752 1.00 0.00 N ATOM 211 CA GLY A 17 5.772 4.391 2.041 1.00 0.00 C ATOM 212 C GLY A 17 4.261 4.554 1.837 1.00 0.00 C ATOM 213 O GLY A 17 3.857 5.247 0.897 1.00 0.00 O ATOM 0 H GLY A 17 6.940 5.089 0.466 1.00 0.00 H new ATOM 0 HA2 GLY A 17 5.975 3.513 2.654 1.00 0.00 H new ATOM 0 HA3 GLY A 17 6.173 5.252 2.575 1.00 0.00 H new ATOM 217 N PRO A 18 3.413 3.960 2.693 1.00 0.00 N ATOM 218 CA PRO A 18 1.978 3.867 2.436 1.00 0.00 C ATOM 219 C PRO A 18 1.263 5.225 2.519 1.00 0.00 C ATOM 220 O PRO A 18 1.779 6.161 3.138 1.00 0.00 O ATOM 221 CB PRO A 18 1.430 2.900 3.490 1.00 0.00 C ATOM 222 CG PRO A 18 2.474 2.942 4.597 1.00 0.00 C ATOM 223 CD PRO A 18 3.785 3.189 3.864 1.00 0.00 C ATOM 0 HA PRO A 18 1.801 3.517 1.419 1.00 0.00 H new ATOM 0 HB2 PRO A 18 0.451 3.214 3.851 1.00 0.00 H new ATOM 0 HB3 PRO A 18 1.313 1.894 3.088 1.00 0.00 H new ATOM 0 HG2 PRO A 18 2.263 3.736 5.314 1.00 0.00 H new ATOM 0 HG3 PRO A 18 2.500 2.006 5.156 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.491 3.735 4.489 1.00 0.00 H new ATOM 0 HD3 PRO A 18 4.265 2.251 3.584 1.00 0.00 H new ATOM 231 N PRO A 19 0.044 5.326 1.959 1.00 0.00 N ATOM 232 CA PRO A 19 -0.838 6.470 2.166 1.00 0.00 C ATOM 233 C PRO A 19 -1.254 6.646 3.642 1.00 0.00 C ATOM 234 O PRO A 19 -1.059 5.758 4.481 1.00 0.00 O ATOM 235 CB PRO A 19 -2.044 6.244 1.241 1.00 0.00 C ATOM 236 CG PRO A 19 -1.881 4.857 0.606 1.00 0.00 C ATOM 237 CD PRO A 19 -0.588 4.283 1.162 1.00 0.00 C ATOM 0 HA PRO A 19 -0.325 7.401 1.924 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -2.976 6.301 1.804 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -2.088 7.015 0.472 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -2.728 4.216 0.850 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.839 4.929 -0.481 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -0.790 3.403 1.772 1.00 0.00 H new ATOM 0 HD3 PRO A 19 0.070 3.966 0.353 1.00 0.00 H new ATOM 245 N SER A 20 -1.858 7.797 3.957 1.00 0.00 N ATOM 246 CA SER A 20 -2.532 8.034 5.234 1.00 0.00 C ATOM 247 C SER A 20 -3.879 7.293 5.269 1.00 0.00 C ATOM 248 O SER A 20 -4.353 6.814 4.235 1.00 0.00 O ATOM 249 CB SER A 20 -2.760 9.543 5.383 1.00 0.00 C ATOM 250 OG SER A 20 -1.584 10.216 5.801 1.00 0.00 O ATOM 0 H SER A 20 -1.892 8.597 3.325 1.00 0.00 H new ATOM 0 HA SER A 20 -1.917 7.663 6.054 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.096 9.955 4.431 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.556 9.720 6.106 1.00 0.00 H new ATOM 0 HG SER A 20 -1.768 11.175 5.883 1.00 0.00 H new ATOM 256 N LYS A 21 -4.536 7.231 6.439 1.00 0.00 N ATOM 257 CA LYS A 21 -5.930 6.797 6.513 1.00 0.00 C ATOM 258 C LYS A 21 -6.764 7.691 5.594 1.00 0.00 C ATOM 259 O LYS A 21 -6.632 8.920 5.686 1.00 0.00 O ATOM 260 CB LYS A 21 -6.492 6.932 7.938 1.00 0.00 C ATOM 261 CG LYS A 21 -7.861 6.230 8.078 1.00 0.00 C ATOM 262 CD LYS A 21 -8.571 6.718 9.336 1.00 0.00 C ATOM 263 CE LYS A 21 -9.960 6.118 9.579 1.00 0.00 C ATOM 264 NZ LYS A 21 -10.708 6.933 10.560 1.00 0.00 N ATOM 0 H LYS A 21 -4.122 7.476 7.339 1.00 0.00 H new ATOM 0 HA LYS A 21 -5.976 5.749 6.216 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -5.787 6.502 8.650 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -6.596 7.987 8.190 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -8.475 6.435 7.201 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -7.722 5.150 8.125 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.942 6.496 10.198 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -8.666 7.802 9.282 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.512 6.070 8.640 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.863 5.096 9.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -11.647 6.514 10.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -10.187 6.957 11.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -10.816 7.901 10.196 1.00 0.00 H new ATOM 278 N PRO A 22 -7.661 7.133 4.772 1.00 0.00 N ATOM 279 CA PRO A 22 -8.649 7.949 4.102 1.00 0.00 C ATOM 280 C PRO A 22 -9.595 8.662 5.084 1.00 0.00 C ATOM 281 O PRO A 22 -9.703 8.366 6.278 1.00 0.00 O ATOM 282 CB PRO A 22 -9.363 7.018 3.110 1.00 0.00 C ATOM 283 CG PRO A 22 -9.143 5.621 3.694 1.00 0.00 C ATOM 284 CD PRO A 22 -7.802 5.728 4.415 1.00 0.00 C ATOM 0 HA PRO A 22 -8.184 8.778 3.568 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -10.424 7.256 3.031 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -8.942 7.103 2.108 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -9.944 5.345 4.380 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -9.116 4.862 2.913 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -7.782 5.094 5.302 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -6.984 5.403 3.772 1.00 0.00 H new ATOM 292 N GLN A 23 -10.283 9.639 4.523 1.00 0.00 N ATOM 293 CA GLN A 23 -11.481 10.290 4.994 1.00 0.00 C ATOM 294 C GLN A 23 -12.618 9.770 4.146 1.00 0.00 C ATOM 295 O GLN A 23 -12.440 9.104 3.122 1.00 0.00 O ATOM 296 CB GLN A 23 -11.419 11.815 4.792 1.00 0.00 C ATOM 297 CG GLN A 23 -10.362 12.445 5.678 1.00 0.00 C ATOM 298 CD GLN A 23 -10.810 12.754 7.105 1.00 0.00 C ATOM 299 OE1 GLN A 23 -11.816 13.426 7.331 1.00 0.00 O ATOM 300 NE2 GLN A 23 -10.059 12.296 8.092 1.00 0.00 N ATOM 0 H GLN A 23 -9.980 10.034 3.633 1.00 0.00 H new ATOM 0 HA GLN A 23 -11.604 10.086 6.058 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -11.201 12.037 3.747 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -12.392 12.253 5.015 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -9.502 11.777 5.721 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -10.024 13.371 5.212 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -9.229 11.741 7.886 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -10.310 12.498 9.060 1.00 0.00 H new ATOM 309 N VAL A 24 -13.787 10.165 4.587 1.00 0.00 N ATOM 310 CA VAL A 24 -15.052 9.972 3.897 1.00 0.00 C ATOM 311 C VAL A 24 -15.683 11.348 3.724 1.00 0.00 C ATOM 312 O VAL A 24 -15.628 12.143 4.668 1.00 0.00 O ATOM 313 CB VAL A 24 -15.943 8.989 4.684 1.00 0.00 C ATOM 314 CG1 VAL A 24 -17.212 8.687 3.880 1.00 0.00 C ATOM 315 CG2 VAL A 24 -15.198 7.678 4.995 1.00 0.00 C ATOM 0 H VAL A 24 -13.894 10.653 5.477 1.00 0.00 H new ATOM 0 HA VAL A 24 -14.915 9.522 2.914 1.00 0.00 H new ATOM 0 HB VAL A 24 -16.209 9.457 5.632 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -17.840 7.992 4.438 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -17.761 9.612 3.706 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -16.939 8.241 2.923 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -15.855 7.009 5.550 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -14.898 7.200 4.062 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -14.313 7.895 5.593 1.00 0.00 H new ATOM 325 N THR A 25 -16.254 11.630 2.550 1.00 0.00 N ATOM 326 CA THR A 25 -16.848 12.927 2.253 1.00 0.00 C ATOM 327 C THR A 25 -18.314 12.765 1.817 1.00 0.00 C ATOM 328 O THR A 25 -19.211 12.759 2.663 1.00 0.00 O ATOM 329 CB THR A 25 -15.934 13.731 1.295 1.00 0.00 C ATOM 330 OG1 THR A 25 -15.790 13.127 0.025 1.00 0.00 O ATOM 331 CG2 THR A 25 -14.508 13.906 1.837 1.00 0.00 C ATOM 0 H THR A 25 -16.315 10.962 1.781 1.00 0.00 H new ATOM 0 HA THR A 25 -16.905 13.541 3.152 1.00 0.00 H new ATOM 0 HB THR A 25 -16.442 14.692 1.211 1.00 0.00 H new ATOM 0 HG1 THR A 25 -15.205 13.679 -0.535 1.00 0.00 H new ATOM 0 HG21 THR A 25 -13.915 14.477 1.123 1.00 0.00 H new ATOM 0 HG22 THR A 25 -14.543 14.439 2.787 1.00 0.00 H new ATOM 0 HG23 THR A 25 -14.053 12.927 1.986 1.00 0.00 H new ATOM 339 N ASP A 26 -18.574 12.613 0.518 1.00 0.00 N ATOM 340 CA ASP A 26 -19.897 12.411 -0.059 1.00 0.00 C ATOM 341 C ASP A 26 -20.321 10.975 0.231 1.00 0.00 C ATOM 342 O ASP A 26 -19.501 10.072 0.086 1.00 0.00 O ATOM 343 CB ASP A 26 -19.831 12.634 -1.581 1.00 0.00 C ATOM 344 CG ASP A 26 -21.193 13.003 -2.157 1.00 0.00 C ATOM 345 OD1 ASP A 26 -22.066 12.123 -2.347 1.00 0.00 O ATOM 346 OD2 ASP A 26 -21.427 14.212 -2.357 1.00 0.00 O ATOM 0 H ASP A 26 -17.837 12.628 -0.187 1.00 0.00 H new ATOM 0 HA ASP A 26 -20.613 13.112 0.370 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -19.116 13.426 -1.802 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -19.464 11.729 -2.066 1.00 0.00 H new ATOM 351 N VAL A 27 -21.574 10.724 0.595 1.00 0.00 N ATOM 352 CA VAL A 27 -22.144 9.377 0.544 1.00 0.00 C ATOM 353 C VAL A 27 -23.587 9.438 0.052 1.00 0.00 C ATOM 354 O VAL A 27 -24.274 10.458 0.169 1.00 0.00 O ATOM 355 CB VAL A 27 -21.944 8.625 1.885 1.00 0.00 C ATOM 356 CG1 VAL A 27 -22.674 9.250 3.069 1.00 0.00 C ATOM 357 CG2 VAL A 27 -22.364 7.146 1.829 1.00 0.00 C ATOM 0 H VAL A 27 -22.220 11.439 0.931 1.00 0.00 H new ATOM 0 HA VAL A 27 -21.603 8.775 -0.187 1.00 0.00 H new ATOM 0 HB VAL A 27 -20.868 8.706 2.038 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -22.481 8.663 3.967 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -22.318 10.269 3.219 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -23.745 9.265 2.869 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -22.196 6.683 2.802 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -23.421 7.077 1.572 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -21.773 6.628 1.074 1.00 0.00 H new ATOM 367 N THR A 28 -24.044 8.331 -0.522 1.00 0.00 N ATOM 368 CA THR A 28 -25.393 8.150 -1.043 1.00 0.00 C ATOM 369 C THR A 28 -25.878 6.760 -0.629 1.00 0.00 C ATOM 370 O THR A 28 -25.353 6.141 0.304 1.00 0.00 O ATOM 371 CB THR A 28 -25.407 8.346 -2.574 1.00 0.00 C ATOM 372 OG1 THR A 28 -24.513 7.424 -3.149 1.00 0.00 O ATOM 373 CG2 THR A 28 -24.970 9.737 -3.035 1.00 0.00 C ATOM 0 H THR A 28 -23.461 7.502 -0.642 1.00 0.00 H new ATOM 0 HA THR A 28 -26.073 8.896 -0.631 1.00 0.00 H new ATOM 0 HB THR A 28 -26.441 8.204 -2.887 1.00 0.00 H new ATOM 0 HG1 THR A 28 -23.664 7.443 -2.660 1.00 0.00 H new ATOM 0 HG21 THR A 28 -25.009 9.789 -4.123 1.00 0.00 H new ATOM 0 HG22 THR A 28 -25.638 10.487 -2.612 1.00 0.00 H new ATOM 0 HG23 THR A 28 -23.951 9.928 -2.699 1.00 0.00 H new ATOM 381 N LYS A 29 -26.885 6.247 -1.332 1.00 0.00 N ATOM 382 CA LYS A 29 -27.273 4.856 -1.233 1.00 0.00 C ATOM 383 C LYS A 29 -26.183 3.903 -1.744 1.00 0.00 C ATOM 384 O LYS A 29 -26.130 2.782 -1.254 1.00 0.00 O ATOM 385 CB LYS A 29 -28.613 4.698 -1.964 1.00 0.00 C ATOM 386 CG LYS A 29 -28.518 4.465 -3.477 1.00 0.00 C ATOM 387 CD LYS A 29 -29.921 4.505 -4.084 1.00 0.00 C ATOM 388 CE LYS A 29 -29.934 4.949 -5.541 1.00 0.00 C ATOM 389 NZ LYS A 29 -31.270 4.847 -6.167 1.00 0.00 N ATOM 0 H LYS A 29 -27.451 6.790 -1.984 1.00 0.00 H new ATOM 0 HA LYS A 29 -27.398 4.573 -0.188 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -29.153 3.862 -1.519 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -29.210 5.593 -1.789 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -27.889 5.228 -3.935 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -28.049 3.502 -3.679 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -30.370 3.515 -4.009 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -30.543 5.182 -3.499 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -29.588 5.981 -5.603 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -29.227 4.341 -6.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -31.215 5.163 -7.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -31.593 3.859 -6.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -31.943 5.448 -5.649 1.00 0.00 H new ATOM 403 N ASN A 30 -25.357 4.268 -2.735 1.00 0.00 N ATOM 404 CA ASN A 30 -24.436 3.296 -3.344 1.00 0.00 C ATOM 405 C ASN A 30 -23.157 3.880 -3.941 1.00 0.00 C ATOM 406 O ASN A 30 -22.335 3.112 -4.444 1.00 0.00 O ATOM 407 CB ASN A 30 -25.137 2.413 -4.388 1.00 0.00 C ATOM 408 CG ASN A 30 -25.885 3.184 -5.450 1.00 0.00 C ATOM 409 OD1 ASN A 30 -25.537 4.297 -5.819 1.00 0.00 O ATOM 410 ND2 ASN A 30 -26.974 2.619 -5.932 1.00 0.00 N ATOM 0 H ASN A 30 -25.307 5.209 -3.126 1.00 0.00 H new ATOM 0 HA ASN A 30 -24.119 2.690 -2.495 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -24.392 1.780 -4.871 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -25.835 1.750 -3.877 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -27.540 3.111 -6.623 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -27.250 1.690 -5.614 1.00 0.00 H new ATOM 417 N SER A 31 -22.938 5.186 -3.850 1.00 0.00 N ATOM 418 CA SER A 31 -21.632 5.794 -4.031 1.00 0.00 C ATOM 419 C SER A 31 -21.177 6.394 -2.703 1.00 0.00 C ATOM 420 O SER A 31 -22.006 6.788 -1.872 1.00 0.00 O ATOM 421 CB SER A 31 -21.715 6.907 -5.078 1.00 0.00 C ATOM 422 OG SER A 31 -22.255 6.495 -6.318 1.00 0.00 O ATOM 0 H SER A 31 -23.676 5.860 -3.645 1.00 0.00 H new ATOM 0 HA SER A 31 -20.924 5.036 -4.366 1.00 0.00 H new ATOM 0 HB2 SER A 31 -22.324 7.720 -4.681 1.00 0.00 H new ATOM 0 HB3 SER A 31 -20.716 7.309 -5.245 1.00 0.00 H new ATOM 0 HG SER A 31 -22.278 7.257 -6.934 1.00 0.00 H new ATOM 428 N VAL A 32 -19.871 6.484 -2.493 1.00 0.00 N ATOM 429 CA VAL A 32 -19.264 7.216 -1.391 1.00 0.00 C ATOM 430 C VAL A 32 -17.937 7.747 -1.908 1.00 0.00 C ATOM 431 O VAL A 32 -17.321 7.107 -2.756 1.00 0.00 O ATOM 432 CB VAL A 32 -19.140 6.333 -0.125 1.00 0.00 C ATOM 433 CG1 VAL A 32 -18.391 5.029 -0.326 1.00 0.00 C ATOM 434 CG2 VAL A 32 -18.482 7.025 1.066 1.00 0.00 C ATOM 0 H VAL A 32 -19.186 6.037 -3.102 1.00 0.00 H new ATOM 0 HA VAL A 32 -19.884 8.052 -1.068 1.00 0.00 H new ATOM 0 HB VAL A 32 -20.190 6.129 0.086 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -18.356 4.481 0.615 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -18.902 4.428 -1.078 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -17.375 5.241 -0.660 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -18.436 6.335 1.908 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -17.473 7.334 0.795 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -19.067 7.901 1.346 1.00 0.00 H new ATOM 444 N THR A 33 -17.488 8.895 -1.426 1.00 0.00 N ATOM 445 CA THR A 33 -16.247 9.508 -1.847 1.00 0.00 C ATOM 446 C THR A 33 -15.262 9.420 -0.691 1.00 0.00 C ATOM 447 O THR A 33 -15.605 9.656 0.471 1.00 0.00 O ATOM 448 CB THR A 33 -16.536 10.914 -2.386 1.00 0.00 C ATOM 449 OG1 THR A 33 -17.353 10.764 -3.537 1.00 0.00 O ATOM 450 CG2 THR A 33 -15.265 11.648 -2.814 1.00 0.00 C ATOM 0 H THR A 33 -17.988 9.433 -0.719 1.00 0.00 H new ATOM 0 HA THR A 33 -15.772 8.989 -2.680 1.00 0.00 H new ATOM 0 HB THR A 33 -17.011 11.494 -1.595 1.00 0.00 H new ATOM 0 HG1 THR A 33 -17.678 11.643 -3.825 1.00 0.00 H new ATOM 0 HG21 THR A 33 -15.525 12.638 -3.188 1.00 0.00 H new ATOM 0 HG22 THR A 33 -14.597 11.747 -1.959 1.00 0.00 H new ATOM 0 HG23 THR A 33 -14.766 11.083 -3.601 1.00 0.00 H new ATOM 458 N LEU A 34 -14.047 9.006 -1.035 1.00 0.00 N ATOM 459 CA LEU A 34 -12.916 8.831 -0.147 1.00 0.00 C ATOM 460 C LEU A 34 -11.884 9.868 -0.535 1.00 0.00 C ATOM 461 O LEU A 34 -11.666 10.076 -1.727 1.00 0.00 O ATOM 462 CB LEU A 34 -12.335 7.425 -0.351 1.00 0.00 C ATOM 463 CG LEU A 34 -13.238 6.301 0.163 1.00 0.00 C ATOM 464 CD1 LEU A 34 -12.657 4.955 -0.260 1.00 0.00 C ATOM 465 CD2 LEU A 34 -13.352 6.334 1.683 1.00 0.00 C ATOM 0 H LEU A 34 -13.818 8.771 -2.001 1.00 0.00 H new ATOM 0 HA LEU A 34 -13.207 8.946 0.897 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -12.148 7.270 -1.414 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -11.371 7.364 0.155 1.00 0.00 H new ATOM 0 HG LEU A 34 -14.232 6.441 -0.263 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -13.297 4.152 0.104 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -12.600 4.909 -1.348 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -11.658 4.842 0.161 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -14.000 5.524 2.017 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -12.363 6.213 2.125 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -13.775 7.289 1.995 1.00 0.00 H new ATOM 477 N SER A 35 -11.224 10.475 0.446 1.00 0.00 N ATOM 478 CA SER A 35 -10.124 11.413 0.241 1.00 0.00 C ATOM 479 C SER A 35 -8.967 10.926 1.095 1.00 0.00 C ATOM 480 O SER A 35 -9.206 10.586 2.248 1.00 0.00 O ATOM 481 CB SER A 35 -10.601 12.837 0.595 1.00 0.00 C ATOM 482 OG SER A 35 -9.917 13.474 1.662 1.00 0.00 O ATOM 0 H SER A 35 -11.444 10.325 1.431 1.00 0.00 H new ATOM 0 HA SER A 35 -9.790 11.458 -0.796 1.00 0.00 H new ATOM 0 HB2 SER A 35 -10.509 13.461 -0.294 1.00 0.00 H new ATOM 0 HB3 SER A 35 -11.661 12.792 0.844 1.00 0.00 H new ATOM 0 HG SER A 35 -10.293 14.368 1.804 1.00 0.00 H new ATOM 488 N TRP A 36 -7.735 10.885 0.603 1.00 0.00 N ATOM 489 CA TRP A 36 -6.574 10.585 1.438 1.00 0.00 C ATOM 490 C TRP A 36 -5.436 11.512 1.039 1.00 0.00 C ATOM 491 O TRP A 36 -5.534 12.235 0.038 1.00 0.00 O ATOM 492 CB TRP A 36 -6.193 9.096 1.358 1.00 0.00 C ATOM 493 CG TRP A 36 -6.010 8.561 -0.020 1.00 0.00 C ATOM 494 CD1 TRP A 36 -4.820 8.397 -0.627 1.00 0.00 C ATOM 495 CD2 TRP A 36 -7.024 8.187 -1.004 1.00 0.00 C ATOM 496 NE1 TRP A 36 -5.024 8.024 -1.935 1.00 0.00 N ATOM 497 CE2 TRP A 36 -6.360 7.902 -2.231 1.00 0.00 C ATOM 498 CE3 TRP A 36 -8.433 8.093 -1.001 1.00 0.00 C ATOM 499 CZ2 TRP A 36 -7.048 7.597 -3.409 1.00 0.00 C ATOM 500 CZ3 TRP A 36 -9.138 7.771 -2.173 1.00 0.00 C ATOM 501 CH2 TRP A 36 -8.448 7.543 -3.376 1.00 0.00 C ATOM 0 H TRP A 36 -7.511 11.057 -0.377 1.00 0.00 H new ATOM 0 HA TRP A 36 -6.812 10.766 2.486 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -5.269 8.944 1.915 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -6.966 8.512 1.857 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -3.856 8.536 -0.160 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -4.273 7.858 -2.605 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -8.976 8.271 -0.085 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -6.511 7.407 -4.327 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -10.215 7.698 -2.149 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -8.999 7.325 -4.279 1.00 0.00 H new ATOM 512 N GLN A 37 -4.351 11.501 1.809 1.00 0.00 N ATOM 513 CA GLN A 37 -3.085 12.120 1.459 1.00 0.00 C ATOM 514 C GLN A 37 -2.078 11.015 1.103 1.00 0.00 C ATOM 515 O GLN A 37 -2.145 9.921 1.679 1.00 0.00 O ATOM 516 CB GLN A 37 -2.627 13.057 2.581 1.00 0.00 C ATOM 517 CG GLN A 37 -3.681 14.159 2.789 1.00 0.00 C ATOM 518 CD GLN A 37 -3.274 15.232 3.787 1.00 0.00 C ATOM 519 OE1 GLN A 37 -2.163 15.230 4.309 1.00 0.00 O ATOM 520 NE2 GLN A 37 -4.180 16.147 4.082 1.00 0.00 N ATOM 0 H GLN A 37 -4.333 11.046 2.721 1.00 0.00 H new ATOM 0 HA GLN A 37 -3.183 12.754 0.578 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.486 12.495 3.504 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -1.665 13.502 2.328 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -3.890 14.632 1.829 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -4.610 13.699 3.126 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -5.095 16.123 3.632 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -3.965 16.878 4.760 1.00 0.00 H new ATOM 529 N PRO A 38 -1.212 11.253 0.103 1.00 0.00 N ATOM 530 CA PRO A 38 -0.491 10.190 -0.586 1.00 0.00 C ATOM 531 C PRO A 38 0.643 9.604 0.256 1.00 0.00 C ATOM 532 O PRO A 38 1.032 10.153 1.293 1.00 0.00 O ATOM 533 CB PRO A 38 0.009 10.811 -1.901 1.00 0.00 C ATOM 534 CG PRO A 38 -0.050 12.320 -1.694 1.00 0.00 C ATOM 535 CD PRO A 38 -1.085 12.517 -0.601 1.00 0.00 C ATOM 0 HA PRO A 38 -1.142 9.337 -0.777 1.00 0.00 H new ATOM 0 HB2 PRO A 38 1.025 10.486 -2.126 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -0.616 10.506 -2.740 1.00 0.00 H new ATOM 0 HG2 PRO A 38 0.921 12.718 -1.397 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -0.338 12.835 -2.610 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -0.777 13.309 0.082 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -2.042 12.818 -1.027 1.00 0.00 H new ATOM 543 N GLY A 39 1.211 8.502 -0.234 1.00 0.00 N ATOM 544 CA GLY A 39 2.484 7.989 0.231 1.00 0.00 C ATOM 545 C GLY A 39 3.630 8.888 -0.234 1.00 0.00 C ATOM 546 O GLY A 39 3.424 9.917 -0.892 1.00 0.00 O ATOM 0 H GLY A 39 0.789 7.940 -0.973 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.482 7.928 1.319 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.633 6.977 -0.145 1.00 0.00 H new ATOM 550 N THR A 40 4.853 8.468 0.056 1.00 0.00 N ATOM 551 CA THR A 40 6.075 9.066 -0.459 1.00 0.00 C ATOM 552 C THR A 40 6.931 7.943 -1.057 1.00 0.00 C ATOM 553 O THR A 40 6.882 6.808 -0.571 1.00 0.00 O ATOM 554 CB THR A 40 6.786 9.858 0.663 1.00 0.00 C ATOM 555 OG1 THR A 40 6.483 11.232 0.534 1.00 0.00 O ATOM 556 CG2 THR A 40 8.312 9.728 0.685 1.00 0.00 C ATOM 0 H THR A 40 5.027 7.677 0.676 1.00 0.00 H new ATOM 0 HA THR A 40 5.871 9.789 -1.249 1.00 0.00 H new ATOM 0 HB THR A 40 6.414 9.424 1.591 1.00 0.00 H new ATOM 0 HG1 THR A 40 6.932 11.734 1.246 1.00 0.00 H new ATOM 0 HG21 THR A 40 8.716 10.319 1.507 1.00 0.00 H new ATOM 0 HG22 THR A 40 8.586 8.682 0.822 1.00 0.00 H new ATOM 0 HG23 THR A 40 8.722 10.090 -0.258 1.00 0.00 H new ATOM 564 N PRO A 41 7.723 8.263 -2.090 1.00 0.00 N ATOM 565 CA PRO A 41 8.684 7.351 -2.678 1.00 0.00 C ATOM 566 C PRO A 41 9.947 7.174 -1.825 1.00 0.00 C ATOM 567 O PRO A 41 10.179 7.807 -0.791 1.00 0.00 O ATOM 568 CB PRO A 41 9.052 7.993 -4.014 1.00 0.00 C ATOM 569 CG PRO A 41 8.903 9.478 -3.751 1.00 0.00 C ATOM 570 CD PRO A 41 7.713 9.531 -2.810 1.00 0.00 C ATOM 0 HA PRO A 41 8.255 6.353 -2.771 1.00 0.00 H new ATOM 0 HB2 PRO A 41 10.069 7.739 -4.314 1.00 0.00 H new ATOM 0 HB3 PRO A 41 8.391 7.660 -4.814 1.00 0.00 H new ATOM 0 HG2 PRO A 41 9.799 9.901 -3.296 1.00 0.00 H new ATOM 0 HG3 PRO A 41 8.719 10.036 -4.669 1.00 0.00 H new ATOM 0 HD2 PRO A 41 7.795 10.373 -2.122 1.00 0.00 H new ATOM 0 HD3 PRO A 41 6.782 9.660 -3.362 1.00 0.00 H new ATOM 578 N GLY A 42 10.829 6.347 -2.357 1.00 0.00 N ATOM 579 CA GLY A 42 12.114 5.996 -1.801 1.00 0.00 C ATOM 580 C GLY A 42 12.964 5.467 -2.936 1.00 0.00 C ATOM 581 O GLY A 42 13.464 6.267 -3.731 1.00 0.00 O ATOM 0 H GLY A 42 10.651 5.876 -3.244 1.00 0.00 H new ATOM 0 HA2 GLY A 42 12.584 6.865 -1.341 1.00 0.00 H new ATOM 0 HA3 GLY A 42 12.003 5.243 -1.021 1.00 0.00 H new ATOM 585 N THR A 43 13.064 4.150 -3.068 1.00 0.00 N ATOM 586 CA THR A 43 13.786 3.443 -4.101 1.00 0.00 C ATOM 587 C THR A 43 13.270 3.838 -5.482 1.00 0.00 C ATOM 588 O THR A 43 14.053 4.242 -6.347 1.00 0.00 O ATOM 589 CB THR A 43 13.592 1.945 -3.812 1.00 0.00 C ATOM 590 OG1 THR A 43 12.233 1.683 -3.509 1.00 0.00 O ATOM 591 CG2 THR A 43 14.438 1.528 -2.608 1.00 0.00 C ATOM 0 H THR A 43 12.612 3.514 -2.411 1.00 0.00 H new ATOM 0 HA THR A 43 14.847 3.692 -4.099 1.00 0.00 H new ATOM 0 HB THR A 43 13.896 1.384 -4.696 1.00 0.00 H new ATOM 0 HG1 THR A 43 12.125 1.598 -2.539 1.00 0.00 H new ATOM 0 HG21 THR A 43 14.293 0.466 -2.412 1.00 0.00 H new ATOM 0 HG22 THR A 43 15.490 1.718 -2.819 1.00 0.00 H new ATOM 0 HG23 THR A 43 14.134 2.103 -1.733 1.00 0.00 H new ATOM 599 N LEU A 44 11.954 3.755 -5.683 1.00 0.00 N ATOM 600 CA LEU A 44 11.308 3.941 -6.976 1.00 0.00 C ATOM 601 C LEU A 44 10.173 4.961 -6.860 1.00 0.00 C ATOM 602 O LEU A 44 9.773 5.303 -5.740 1.00 0.00 O ATOM 603 CB LEU A 44 10.779 2.576 -7.445 1.00 0.00 C ATOM 604 CG LEU A 44 11.875 1.633 -7.970 1.00 0.00 C ATOM 605 CD1 LEU A 44 11.289 0.232 -8.122 1.00 0.00 C ATOM 606 CD2 LEU A 44 12.414 2.096 -9.328 1.00 0.00 C ATOM 0 H LEU A 44 11.295 3.552 -4.931 1.00 0.00 H new ATOM 0 HA LEU A 44 12.020 4.328 -7.705 1.00 0.00 H new ATOM 0 HB2 LEU A 44 10.263 2.092 -6.616 1.00 0.00 H new ATOM 0 HB3 LEU A 44 10.041 2.733 -8.231 1.00 0.00 H new ATOM 0 HG LEU A 44 12.699 1.636 -7.257 1.00 0.00 H new ATOM 0 HD11 LEU A 44 12.058 -0.446 -8.494 1.00 0.00 H new ATOM 0 HD12 LEU A 44 10.932 -0.120 -7.154 1.00 0.00 H new ATOM 0 HD13 LEU A 44 10.458 0.260 -8.827 1.00 0.00 H new ATOM 0 HD21 LEU A 44 13.186 1.406 -9.667 1.00 0.00 H new ATOM 0 HD22 LEU A 44 11.601 2.117 -10.054 1.00 0.00 H new ATOM 0 HD23 LEU A 44 12.838 3.095 -9.230 1.00 0.00 H new ATOM 618 N PRO A 45 9.657 5.462 -7.992 1.00 0.00 N ATOM 619 CA PRO A 45 8.445 6.259 -8.056 1.00 0.00 C ATOM 620 C PRO A 45 7.228 5.343 -7.926 1.00 0.00 C ATOM 621 O PRO A 45 7.331 4.115 -8.000 1.00 0.00 O ATOM 622 CB PRO A 45 8.517 6.969 -9.416 1.00 0.00 C ATOM 623 CG PRO A 45 9.310 6.005 -10.298 1.00 0.00 C ATOM 624 CD PRO A 45 10.202 5.253 -9.318 1.00 0.00 C ATOM 0 HA PRO A 45 8.354 6.989 -7.251 1.00 0.00 H new ATOM 0 HB2 PRO A 45 7.523 7.155 -9.822 1.00 0.00 H new ATOM 0 HB3 PRO A 45 9.014 7.936 -9.335 1.00 0.00 H new ATOM 0 HG2 PRO A 45 8.651 5.326 -10.839 1.00 0.00 H new ATOM 0 HG3 PRO A 45 9.899 6.539 -11.044 1.00 0.00 H new ATOM 0 HD2 PRO A 45 10.228 4.190 -9.560 1.00 0.00 H new ATOM 0 HD3 PRO A 45 11.228 5.618 -9.374 1.00 0.00 H new ATOM 632 N ALA A 46 6.070 5.949 -7.710 1.00 0.00 N ATOM 633 CA ALA A 46 4.776 5.305 -7.626 1.00 0.00 C ATOM 634 C ALA A 46 4.145 5.279 -9.007 1.00 0.00 C ATOM 635 O ALA A 46 4.262 6.222 -9.799 1.00 0.00 O ATOM 636 CB ALA A 46 3.936 6.129 -6.661 1.00 0.00 C ATOM 0 H ALA A 46 6.009 6.959 -7.582 1.00 0.00 H new ATOM 0 HA ALA A 46 4.854 4.277 -7.272 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.947 5.680 -6.565 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.421 6.152 -5.685 1.00 0.00 H new ATOM 0 HB3 ALA A 46 3.838 7.146 -7.041 1.00 0.00 H new ATOM 642 N SER A 47 3.427 4.198 -9.275 1.00 0.00 N ATOM 643 CA SER A 47 2.699 3.989 -10.502 1.00 0.00 C ATOM 644 C SER A 47 1.253 4.435 -10.324 1.00 0.00 C ATOM 645 O SER A 47 0.815 5.313 -11.067 1.00 0.00 O ATOM 646 CB SER A 47 2.849 2.528 -10.940 1.00 0.00 C ATOM 647 OG SER A 47 3.972 2.391 -11.791 1.00 0.00 O ATOM 0 H SER A 47 3.337 3.422 -8.619 1.00 0.00 H new ATOM 0 HA SER A 47 3.108 4.598 -11.308 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.965 1.888 -10.066 1.00 0.00 H new ATOM 0 HB3 SER A 47 1.948 2.201 -11.458 1.00 0.00 H new ATOM 0 HG SER A 47 4.062 1.455 -12.065 1.00 0.00 H new ATOM 653 N ALA A 48 0.516 3.888 -9.355 1.00 0.00 N ATOM 654 CA ALA A 48 -0.903 4.211 -9.164 1.00 0.00 C ATOM 655 C ALA A 48 -1.324 3.780 -7.765 1.00 0.00 C ATOM 656 O ALA A 48 -0.480 3.379 -6.968 1.00 0.00 O ATOM 657 CB ALA A 48 -1.735 3.538 -10.264 1.00 0.00 C ATOM 0 H ALA A 48 0.881 3.213 -8.684 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.072 5.285 -9.246 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.789 3.778 -10.122 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.409 3.899 -11.239 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.599 2.458 -10.213 1.00 0.00 H new ATOM 663 N TYR A 49 -2.615 3.826 -7.465 1.00 0.00 N ATOM 664 CA TYR A 49 -3.193 3.318 -6.235 1.00 0.00 C ATOM 665 C TYR A 49 -4.240 2.253 -6.575 1.00 0.00 C ATOM 666 O TYR A 49 -4.703 2.141 -7.715 1.00 0.00 O ATOM 667 CB TYR A 49 -3.776 4.482 -5.406 1.00 0.00 C ATOM 668 CG TYR A 49 -2.736 5.453 -4.874 1.00 0.00 C ATOM 669 CD1 TYR A 49 -2.095 5.191 -3.649 1.00 0.00 C ATOM 670 CD2 TYR A 49 -2.390 6.606 -5.607 1.00 0.00 C ATOM 671 CE1 TYR A 49 -1.061 6.025 -3.193 1.00 0.00 C ATOM 672 CE2 TYR A 49 -1.373 7.462 -5.146 1.00 0.00 C ATOM 673 CZ TYR A 49 -0.672 7.145 -3.958 1.00 0.00 C ATOM 674 OH TYR A 49 0.373 7.914 -3.545 1.00 0.00 O ATOM 0 H TYR A 49 -3.308 4.232 -8.094 1.00 0.00 H new ATOM 0 HA TYR A 49 -2.427 2.846 -5.620 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -4.487 5.031 -6.023 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -4.335 4.070 -4.566 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -2.400 4.342 -3.055 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -2.908 6.834 -6.527 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -0.565 5.809 -2.258 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -1.128 8.358 -5.697 1.00 0.00 H new ATOM 0 HH TYR A 49 0.514 8.645 -4.183 1.00 0.00 H new ATOM 684 N ILE A 50 -4.630 1.482 -5.574 1.00 0.00 N ATOM 685 CA ILE A 50 -5.845 0.679 -5.511 1.00 0.00 C ATOM 686 C ILE A 50 -6.662 1.221 -4.342 1.00 0.00 C ATOM 687 O ILE A 50 -6.116 1.854 -3.435 1.00 0.00 O ATOM 688 CB ILE A 50 -5.466 -0.821 -5.379 1.00 0.00 C ATOM 689 CG1 ILE A 50 -5.226 -1.380 -6.794 1.00 0.00 C ATOM 690 CG2 ILE A 50 -6.478 -1.707 -4.627 1.00 0.00 C ATOM 691 CD1 ILE A 50 -4.480 -2.708 -6.772 1.00 0.00 C ATOM 0 H ILE A 50 -4.070 1.393 -4.726 1.00 0.00 H new ATOM 0 HA ILE A 50 -6.451 0.746 -6.414 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.570 -0.855 -4.759 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -6.184 -1.512 -7.297 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -4.657 -0.656 -7.377 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -6.111 -2.733 -4.596 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -6.602 -1.335 -3.610 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -7.438 -1.681 -5.143 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -4.335 -3.061 -7.793 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -3.510 -2.572 -6.294 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.060 -3.442 -6.213 1.00 0.00 H new ATOM 703 N ILE A 51 -7.961 0.926 -4.355 1.00 0.00 N ATOM 704 CA ILE A 51 -8.786 0.941 -3.165 1.00 0.00 C ATOM 705 C ILE A 51 -9.403 -0.454 -3.096 1.00 0.00 C ATOM 706 O ILE A 51 -9.899 -0.970 -4.107 1.00 0.00 O ATOM 707 CB ILE A 51 -9.836 2.068 -3.234 1.00 0.00 C ATOM 708 CG1 ILE A 51 -9.198 3.457 -3.465 1.00 0.00 C ATOM 709 CG2 ILE A 51 -10.654 2.112 -1.933 1.00 0.00 C ATOM 710 CD1 ILE A 51 -10.230 4.493 -3.912 1.00 0.00 C ATOM 0 H ILE A 51 -8.467 0.669 -5.202 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.218 1.154 -2.259 1.00 0.00 H new ATOM 0 HB ILE A 51 -10.480 1.843 -4.084 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -8.720 3.794 -2.545 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -8.415 3.376 -4.219 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -11.392 2.912 -1.994 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -11.163 1.159 -1.791 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -9.988 2.297 -1.090 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -9.739 5.454 -4.063 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -10.689 4.170 -4.846 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -10.999 4.595 -3.146 1.00 0.00 H new ATOM 722 N GLU A 52 -9.381 -1.053 -1.912 1.00 0.00 N ATOM 723 CA GLU A 52 -10.148 -2.239 -1.593 1.00 0.00 C ATOM 724 C GLU A 52 -11.270 -1.845 -0.653 1.00 0.00 C ATOM 725 O GLU A 52 -11.189 -0.818 0.018 1.00 0.00 O ATOM 726 CB GLU A 52 -9.301 -3.335 -0.939 1.00 0.00 C ATOM 727 CG GLU A 52 -8.231 -3.847 -1.890 1.00 0.00 C ATOM 728 CD GLU A 52 -7.754 -5.245 -1.497 1.00 0.00 C ATOM 729 OE1 GLU A 52 -6.809 -5.377 -0.683 1.00 0.00 O ATOM 730 OE2 GLU A 52 -8.303 -6.233 -2.031 1.00 0.00 O ATOM 0 H GLU A 52 -8.815 -0.716 -1.133 1.00 0.00 H new ATOM 0 HA GLU A 52 -10.534 -2.649 -2.526 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -8.832 -2.945 -0.036 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -9.944 -4.160 -0.633 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -8.626 -3.868 -2.906 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -7.385 -3.160 -1.891 1.00 0.00 H new ATOM 737 N ALA A 53 -12.279 -2.702 -0.574 1.00 0.00 N ATOM 738 CA ALA A 53 -13.356 -2.670 0.389 1.00 0.00 C ATOM 739 C ALA A 53 -13.596 -4.092 0.843 1.00 0.00 C ATOM 740 O ALA A 53 -13.231 -5.063 0.167 1.00 0.00 O ATOM 741 CB ALA A 53 -14.641 -2.148 -0.257 1.00 0.00 C ATOM 0 H ALA A 53 -12.367 -3.484 -1.223 1.00 0.00 H new ATOM 0 HA ALA A 53 -13.089 -2.016 1.219 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -15.440 -2.131 0.484 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -14.475 -1.139 -0.634 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -14.925 -2.801 -1.082 1.00 0.00 H new ATOM 747 N PHE A 54 -14.278 -4.191 1.966 1.00 0.00 N ATOM 748 CA PHE A 54 -14.656 -5.426 2.598 1.00 0.00 C ATOM 749 C PHE A 54 -15.978 -5.144 3.284 1.00 0.00 C ATOM 750 O PHE A 54 -16.135 -4.078 3.883 1.00 0.00 O ATOM 751 CB PHE A 54 -13.546 -5.789 3.583 1.00 0.00 C ATOM 752 CG PHE A 54 -13.851 -6.882 4.571 1.00 0.00 C ATOM 753 CD1 PHE A 54 -14.741 -6.635 5.629 1.00 0.00 C ATOM 754 CD2 PHE A 54 -13.193 -8.119 4.482 1.00 0.00 C ATOM 755 CE1 PHE A 54 -14.968 -7.604 6.606 1.00 0.00 C ATOM 756 CE2 PHE A 54 -13.441 -9.108 5.441 1.00 0.00 C ATOM 757 CZ PHE A 54 -14.317 -8.846 6.506 1.00 0.00 C ATOM 0 H PHE A 54 -14.596 -3.371 2.482 1.00 0.00 H new ATOM 0 HA PHE A 54 -14.778 -6.266 1.914 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -12.666 -6.083 3.011 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -13.278 -4.891 4.140 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -15.254 -5.686 5.687 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -12.498 -8.307 3.677 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -15.636 -7.403 7.430 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -12.959 -10.071 5.362 1.00 0.00 H new ATOM 0 HZ PHE A 54 -14.492 -9.605 7.255 1.00 0.00 H new ATOM 767 N SER A 55 -16.890 -6.107 3.240 1.00 0.00 N ATOM 768 CA SER A 55 -18.182 -6.009 3.878 1.00 0.00 C ATOM 769 C SER A 55 -18.696 -7.405 4.149 1.00 0.00 C ATOM 770 O SER A 55 -18.899 -8.189 3.222 1.00 0.00 O ATOM 771 CB SER A 55 -19.152 -5.355 2.923 1.00 0.00 C ATOM 772 OG SER A 55 -19.007 -3.971 2.892 1.00 0.00 O ATOM 0 H SER A 55 -16.743 -6.990 2.750 1.00 0.00 H new ATOM 0 HA SER A 55 -18.092 -5.434 4.800 1.00 0.00 H new ATOM 0 HB2 SER A 55 -19.000 -5.757 1.921 1.00 0.00 H new ATOM 0 HB3 SER A 55 -20.172 -5.605 3.215 1.00 0.00 H new ATOM 0 HG SER A 55 -19.399 -3.620 2.065 1.00 0.00 H new ATOM 778 N GLN A 56 -18.960 -7.704 5.411 1.00 0.00 N ATOM 779 CA GLN A 56 -19.366 -9.028 5.827 1.00 0.00 C ATOM 780 C GLN A 56 -20.676 -9.457 5.154 1.00 0.00 C ATOM 781 O GLN A 56 -20.851 -10.618 4.777 1.00 0.00 O ATOM 782 CB GLN A 56 -19.426 -9.023 7.361 1.00 0.00 C ATOM 783 CG GLN A 56 -19.368 -10.430 7.943 1.00 0.00 C ATOM 784 CD GLN A 56 -19.262 -10.446 9.474 1.00 0.00 C ATOM 785 OE1 GLN A 56 -18.891 -9.462 10.118 1.00 0.00 O ATOM 786 NE2 GLN A 56 -19.598 -11.554 10.110 1.00 0.00 N ATOM 0 H GLN A 56 -18.897 -7.030 6.174 1.00 0.00 H new ATOM 0 HA GLN A 56 -18.645 -9.780 5.506 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -18.597 -8.435 7.754 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -20.345 -8.535 7.686 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -20.260 -10.978 7.641 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -18.512 -10.956 7.520 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -19.906 -12.371 9.583 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -19.550 -11.592 11.128 1.00 0.00 H new ATOM 795 N SER A 57 -21.556 -8.482 4.946 1.00 0.00 N ATOM 796 CA SER A 57 -22.858 -8.569 4.298 1.00 0.00 C ATOM 797 C SER A 57 -22.804 -8.449 2.759 1.00 0.00 C ATOM 798 O SER A 57 -23.835 -8.150 2.148 1.00 0.00 O ATOM 799 CB SER A 57 -23.737 -7.470 4.920 1.00 0.00 C ATOM 800 OG SER A 57 -24.931 -7.969 5.484 1.00 0.00 O ATOM 0 H SER A 57 -21.358 -7.530 5.253 1.00 0.00 H new ATOM 0 HA SER A 57 -23.274 -9.562 4.470 1.00 0.00 H new ATOM 0 HB2 SER A 57 -23.168 -6.950 5.691 1.00 0.00 H new ATOM 0 HB3 SER A 57 -23.984 -6.734 4.155 1.00 0.00 H new ATOM 0 HG SER A 57 -25.447 -7.228 5.865 1.00 0.00 H new ATOM 806 N VAL A 58 -21.645 -8.627 2.118 1.00 0.00 N ATOM 807 CA VAL A 58 -21.470 -8.509 0.667 1.00 0.00 C ATOM 808 C VAL A 58 -20.826 -9.814 0.228 1.00 0.00 C ATOM 809 O VAL A 58 -21.520 -10.677 -0.308 1.00 0.00 O ATOM 810 CB VAL A 58 -20.642 -7.244 0.343 1.00 0.00 C ATOM 811 CG1 VAL A 58 -20.036 -7.139 -1.067 1.00 0.00 C ATOM 812 CG2 VAL A 58 -21.493 -5.987 0.596 1.00 0.00 C ATOM 0 H VAL A 58 -20.781 -8.863 2.606 1.00 0.00 H new ATOM 0 HA VAL A 58 -22.404 -8.375 0.121 1.00 0.00 H new ATOM 0 HB VAL A 58 -19.786 -7.327 1.012 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -19.482 -6.204 -1.156 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -19.361 -7.978 -1.236 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -20.834 -7.160 -1.809 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -20.906 -5.098 0.367 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -22.377 -6.012 -0.041 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -21.799 -5.959 1.642 1.00 0.00 H new ATOM 822 N SER A 59 -19.542 -9.967 0.534 1.00 0.00 N ATOM 823 CA SER A 59 -18.759 -11.165 0.373 1.00 0.00 C ATOM 824 C SER A 59 -17.750 -11.129 1.517 1.00 0.00 C ATOM 825 O SER A 59 -17.294 -10.064 1.940 1.00 0.00 O ATOM 826 CB SER A 59 -18.099 -11.161 -1.012 1.00 0.00 C ATOM 827 OG SER A 59 -17.173 -12.221 -1.160 1.00 0.00 O ATOM 0 H SER A 59 -18.994 -9.201 0.926 1.00 0.00 H new ATOM 0 HA SER A 59 -19.345 -12.083 0.417 1.00 0.00 H new ATOM 0 HB2 SER A 59 -18.868 -11.241 -1.780 1.00 0.00 H new ATOM 0 HB3 SER A 59 -17.590 -10.210 -1.168 1.00 0.00 H new ATOM 0 HG SER A 59 -16.775 -12.185 -2.055 1.00 0.00 H new ATOM 833 N ASN A 60 -17.400 -12.302 2.026 1.00 0.00 N ATOM 834 CA ASN A 60 -16.538 -12.490 3.183 1.00 0.00 C ATOM 835 C ASN A 60 -15.079 -12.041 2.949 1.00 0.00 C ATOM 836 O ASN A 60 -14.260 -12.121 3.870 1.00 0.00 O ATOM 837 CB ASN A 60 -16.653 -13.937 3.681 1.00 0.00 C ATOM 838 CG ASN A 60 -18.046 -14.198 4.247 1.00 0.00 C ATOM 839 OD1 ASN A 60 -18.988 -14.490 3.511 1.00 0.00 O ATOM 840 ND2 ASN A 60 -18.247 -14.014 5.543 1.00 0.00 N ATOM 0 H ASN A 60 -17.722 -13.184 1.627 1.00 0.00 H new ATOM 0 HA ASN A 60 -16.890 -11.826 3.973 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -16.452 -14.627 2.862 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -15.901 -14.125 4.448 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -19.184 -14.114 5.933 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -17.465 -13.772 6.151 1.00 0.00 H new ATOM 847 N SER A 61 -14.753 -11.547 1.752 1.00 0.00 N ATOM 848 CA SER A 61 -13.422 -11.231 1.243 1.00 0.00 C ATOM 849 C SER A 61 -13.139 -9.716 1.276 1.00 0.00 C ATOM 850 O SER A 61 -14.062 -8.908 1.169 1.00 0.00 O ATOM 851 CB SER A 61 -13.405 -11.713 -0.221 1.00 0.00 C ATOM 852 OG SER A 61 -13.948 -13.017 -0.347 1.00 0.00 O ATOM 0 H SER A 61 -15.474 -11.342 1.060 1.00 0.00 H new ATOM 0 HA SER A 61 -12.661 -11.712 1.858 1.00 0.00 H new ATOM 0 HB2 SER A 61 -13.975 -11.020 -0.840 1.00 0.00 H new ATOM 0 HB3 SER A 61 -12.381 -11.707 -0.595 1.00 0.00 H new ATOM 0 HG SER A 61 -13.924 -13.292 -1.287 1.00 0.00 H new ATOM 858 N TRP A 62 -11.859 -9.315 1.325 1.00 0.00 N ATOM 859 CA TRP A 62 -11.431 -8.009 0.810 1.00 0.00 C ATOM 860 C TRP A 62 -11.434 -8.104 -0.713 1.00 0.00 C ATOM 861 O TRP A 62 -10.909 -9.093 -1.238 1.00 0.00 O ATOM 862 CB TRP A 62 -10.002 -7.671 1.279 1.00 0.00 C ATOM 863 CG TRP A 62 -9.882 -7.097 2.656 1.00 0.00 C ATOM 864 CD1 TRP A 62 -9.516 -7.764 3.775 1.00 0.00 C ATOM 865 CD2 TRP A 62 -10.141 -5.723 3.076 1.00 0.00 C ATOM 866 NE1 TRP A 62 -9.531 -6.899 4.852 1.00 0.00 N ATOM 867 CE2 TRP A 62 -10.000 -5.654 4.492 1.00 0.00 C ATOM 868 CE3 TRP A 62 -10.546 -4.545 2.410 1.00 0.00 C ATOM 869 CZ2 TRP A 62 -10.323 -4.499 5.218 1.00 0.00 C ATOM 870 CZ3 TRP A 62 -10.894 -3.385 3.131 1.00 0.00 C ATOM 871 CH2 TRP A 62 -10.817 -3.375 4.536 1.00 0.00 C ATOM 0 H TRP A 62 -11.104 -9.878 1.716 1.00 0.00 H new ATOM 0 HA TRP A 62 -12.103 -7.232 1.174 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -9.401 -8.579 1.232 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -9.567 -6.964 0.573 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -9.253 -8.811 3.819 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -9.233 -7.150 5.795 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -10.590 -4.533 1.331 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -10.193 -4.474 6.290 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -11.221 -2.501 2.603 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -11.137 -2.504 5.089 1.00 0.00 H new ATOM 882 N GLN A 63 -11.949 -7.100 -1.425 1.00 0.00 N ATOM 883 CA GLN A 63 -11.907 -7.058 -2.885 1.00 0.00 C ATOM 884 C GLN A 63 -11.448 -5.694 -3.365 1.00 0.00 C ATOM 885 O GLN A 63 -11.681 -4.684 -2.703 1.00 0.00 O ATOM 886 CB GLN A 63 -13.274 -7.336 -3.527 1.00 0.00 C ATOM 887 CG GLN A 63 -14.134 -8.379 -2.805 1.00 0.00 C ATOM 888 CD GLN A 63 -15.182 -9.025 -3.707 1.00 0.00 C ATOM 889 OE1 GLN A 63 -15.590 -8.452 -4.718 1.00 0.00 O ATOM 890 NE2 GLN A 63 -15.664 -10.202 -3.345 1.00 0.00 N ATOM 0 H GLN A 63 -12.407 -6.292 -1.003 1.00 0.00 H new ATOM 0 HA GLN A 63 -11.208 -7.839 -3.185 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -13.831 -6.400 -3.577 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -13.115 -7.667 -4.553 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -13.486 -9.156 -2.398 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -14.634 -7.906 -1.960 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -15.313 -10.660 -2.504 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -16.387 -10.652 -3.907 1.00 0.00 H new ATOM 899 N THR A 64 -10.890 -5.685 -4.567 1.00 0.00 N ATOM 900 CA THR A 64 -10.551 -4.490 -5.329 1.00 0.00 C ATOM 901 C THR A 64 -11.860 -3.822 -5.759 1.00 0.00 C ATOM 902 O THR A 64 -12.745 -4.499 -6.289 1.00 0.00 O ATOM 903 CB THR A 64 -9.695 -4.882 -6.553 1.00 0.00 C ATOM 904 OG1 THR A 64 -8.915 -6.033 -6.273 1.00 0.00 O ATOM 905 CG2 THR A 64 -8.728 -3.767 -6.961 1.00 0.00 C ATOM 0 H THR A 64 -10.651 -6.546 -5.059 1.00 0.00 H new ATOM 0 HA THR A 64 -9.968 -3.793 -4.727 1.00 0.00 H new ATOM 0 HB THR A 64 -10.398 -5.073 -7.364 1.00 0.00 H new ATOM 0 HG1 THR A 64 -8.381 -6.266 -7.061 1.00 0.00 H new ATOM 0 HG21 THR A 64 -8.147 -4.088 -7.826 1.00 0.00 H new ATOM 0 HG22 THR A 64 -9.293 -2.870 -7.216 1.00 0.00 H new ATOM 0 HG23 THR A 64 -8.054 -3.548 -6.132 1.00 0.00 H new ATOM 913 N VAL A 65 -11.987 -2.517 -5.529 1.00 0.00 N ATOM 914 CA VAL A 65 -13.180 -1.719 -5.836 1.00 0.00 C ATOM 915 C VAL A 65 -12.829 -0.401 -6.544 1.00 0.00 C ATOM 916 O VAL A 65 -13.733 0.315 -6.988 1.00 0.00 O ATOM 917 CB VAL A 65 -13.994 -1.477 -4.548 1.00 0.00 C ATOM 918 CG1 VAL A 65 -14.808 -2.715 -4.141 1.00 0.00 C ATOM 919 CG2 VAL A 65 -13.093 -1.086 -3.380 1.00 0.00 C ATOM 0 H VAL A 65 -11.239 -1.964 -5.110 1.00 0.00 H new ATOM 0 HA VAL A 65 -13.796 -2.284 -6.536 1.00 0.00 H new ATOM 0 HB VAL A 65 -14.676 -0.658 -4.775 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -15.366 -2.500 -3.229 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -15.504 -2.972 -4.940 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -14.133 -3.552 -3.965 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -13.701 -0.924 -2.490 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -12.377 -1.885 -3.189 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -12.557 -0.169 -3.625 1.00 0.00 H new ATOM 929 N ALA A 66 -11.537 -0.077 -6.666 1.00 0.00 N ATOM 930 CA ALA A 66 -10.986 0.697 -7.766 1.00 0.00 C ATOM 931 C ALA A 66 -9.545 0.232 -7.985 1.00 0.00 C ATOM 932 O ALA A 66 -8.882 -0.222 -7.049 1.00 0.00 O ATOM 933 CB ALA A 66 -11.038 2.197 -7.473 1.00 0.00 C ATOM 0 H ALA A 66 -10.834 -0.356 -5.981 1.00 0.00 H new ATOM 0 HA ALA A 66 -11.578 0.535 -8.667 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -10.618 2.747 -8.315 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -12.073 2.502 -7.320 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -10.460 2.413 -6.575 1.00 0.00 H new ATOM 939 N ASN A 67 -9.047 0.364 -9.213 1.00 0.00 N ATOM 940 CA ASN A 67 -7.760 -0.158 -9.657 1.00 0.00 C ATOM 941 C ASN A 67 -7.062 0.917 -10.476 1.00 0.00 C ATOM 942 O ASN A 67 -7.715 1.605 -11.260 1.00 0.00 O ATOM 943 CB ASN A 67 -7.992 -1.433 -10.486 1.00 0.00 C ATOM 944 CG ASN A 67 -6.756 -1.960 -11.202 1.00 0.00 C ATOM 945 OD1 ASN A 67 -6.518 -1.597 -12.350 1.00 0.00 O ATOM 946 ND2 ASN A 67 -5.975 -2.832 -10.587 1.00 0.00 N ATOM 0 H ASN A 67 -9.549 0.856 -9.952 1.00 0.00 H new ATOM 0 HA ASN A 67 -7.128 -0.417 -8.807 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -8.374 -2.213 -9.828 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -8.766 -1.233 -11.226 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -5.160 -3.214 -11.067 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -6.188 -3.123 -9.633 1.00 0.00 H new ATOM 953 N HIS A 68 -5.743 1.037 -10.302 1.00 0.00 N ATOM 954 CA HIS A 68 -4.892 1.980 -11.024 1.00 0.00 C ATOM 955 C HIS A 68 -5.402 3.426 -10.896 1.00 0.00 C ATOM 956 O HIS A 68 -5.405 4.201 -11.855 1.00 0.00 O ATOM 957 CB HIS A 68 -4.683 1.480 -12.465 1.00 0.00 C ATOM 958 CG HIS A 68 -3.598 0.437 -12.581 1.00 0.00 C ATOM 959 ND1 HIS A 68 -2.570 0.449 -13.495 1.00 0.00 N ATOM 960 CD2 HIS A 68 -3.445 -0.684 -11.810 1.00 0.00 C ATOM 961 CE1 HIS A 68 -1.791 -0.617 -13.259 1.00 0.00 C ATOM 962 NE2 HIS A 68 -2.286 -1.344 -12.240 1.00 0.00 N ATOM 0 H HIS A 68 -5.226 0.464 -9.636 1.00 0.00 H new ATOM 0 HA HIS A 68 -3.903 2.019 -10.568 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -5.619 1.064 -12.838 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -4.434 2.327 -13.104 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -4.100 -1.003 -11.013 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -0.893 -0.858 -13.809 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -1.895 -2.205 -11.857 1.00 0.00 H new ATOM 970 N VAL A 69 -5.792 3.808 -9.682 1.00 0.00 N ATOM 971 CA VAL A 69 -6.308 5.118 -9.320 1.00 0.00 C ATOM 972 C VAL A 69 -5.136 6.090 -9.362 1.00 0.00 C ATOM 973 O VAL A 69 -4.097 5.822 -8.764 1.00 0.00 O ATOM 974 CB VAL A 69 -6.999 5.046 -7.941 1.00 0.00 C ATOM 975 CG1 VAL A 69 -7.531 6.410 -7.482 1.00 0.00 C ATOM 976 CG2 VAL A 69 -8.179 4.068 -7.990 1.00 0.00 C ATOM 0 H VAL A 69 -5.753 3.174 -8.884 1.00 0.00 H new ATOM 0 HA VAL A 69 -7.071 5.467 -10.015 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.242 4.709 -7.233 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.008 6.305 -6.507 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -6.704 7.117 -7.408 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -8.259 6.778 -8.204 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -8.658 4.026 -7.012 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -8.901 4.406 -8.733 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -7.818 3.076 -8.260 1.00 0.00 H new ATOM 986 N LYS A 70 -5.274 7.184 -10.111 1.00 0.00 N ATOM 987 CA LYS A 70 -4.218 8.180 -10.300 1.00 0.00 C ATOM 988 C LYS A 70 -4.519 9.491 -9.560 1.00 0.00 C ATOM 989 O LYS A 70 -3.897 10.515 -9.849 1.00 0.00 O ATOM 990 CB LYS A 70 -4.025 8.369 -11.808 1.00 0.00 C ATOM 991 CG LYS A 70 -3.371 7.137 -12.452 1.00 0.00 C ATOM 992 CD LYS A 70 -3.689 7.043 -13.949 1.00 0.00 C ATOM 993 CE LYS A 70 -5.010 6.293 -14.172 1.00 0.00 C ATOM 994 NZ LYS A 70 -5.432 6.216 -15.584 1.00 0.00 N ATOM 0 H LYS A 70 -6.135 7.407 -10.611 1.00 0.00 H new ATOM 0 HA LYS A 70 -3.284 7.830 -9.860 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -4.990 8.557 -12.278 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -3.405 9.247 -11.989 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -2.291 7.183 -12.312 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.720 6.235 -11.949 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -3.755 8.044 -14.376 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -2.880 6.528 -14.467 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -4.911 5.281 -13.779 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -5.795 6.784 -13.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -6.330 5.696 -15.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -5.560 7.177 -15.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -4.704 5.721 -16.137 1.00 0.00 H new ATOM 1008 N THR A 71 -5.473 9.471 -8.628 1.00 0.00 N ATOM 1009 CA THR A 71 -5.927 10.615 -7.850 1.00 0.00 C ATOM 1010 C THR A 71 -5.922 10.252 -6.371 1.00 0.00 C ATOM 1011 O THR A 71 -5.664 9.109 -5.993 1.00 0.00 O ATOM 1012 CB THR A 71 -7.296 11.103 -8.365 1.00 0.00 C ATOM 1013 OG1 THR A 71 -7.781 12.255 -7.697 1.00 0.00 O ATOM 1014 CG2 THR A 71 -8.376 10.016 -8.359 1.00 0.00 C ATOM 0 H THR A 71 -5.971 8.614 -8.387 1.00 0.00 H new ATOM 0 HA THR A 71 -5.246 11.457 -7.972 1.00 0.00 H new ATOM 0 HB THR A 71 -7.092 11.376 -9.401 1.00 0.00 H new ATOM 0 HG1 THR A 71 -8.649 12.510 -8.073 1.00 0.00 H new ATOM 0 HG21 THR A 71 -9.312 10.431 -8.734 1.00 0.00 H new ATOM 0 HG22 THR A 71 -8.064 9.190 -8.997 1.00 0.00 H new ATOM 0 HG23 THR A 71 -8.522 9.653 -7.341 1.00 0.00 H new ATOM 1022 N THR A 72 -6.226 11.257 -5.565 1.00 0.00 N ATOM 1023 CA THR A 72 -6.212 11.262 -4.117 1.00 0.00 C ATOM 1024 C THR A 72 -7.631 11.392 -3.539 1.00 0.00 C ATOM 1025 O THR A 72 -7.798 11.332 -2.318 1.00 0.00 O ATOM 1026 CB THR A 72 -5.325 12.440 -3.686 1.00 0.00 C ATOM 1027 OG1 THR A 72 -5.826 13.653 -4.226 1.00 0.00 O ATOM 1028 CG2 THR A 72 -3.877 12.274 -4.175 1.00 0.00 C ATOM 0 H THR A 72 -6.511 12.161 -5.941 1.00 0.00 H new ATOM 0 HA THR A 72 -5.818 10.320 -3.735 1.00 0.00 H new ATOM 0 HB THR A 72 -5.338 12.462 -2.596 1.00 0.00 H new ATOM 0 HG1 THR A 72 -5.254 14.397 -3.944 1.00 0.00 H new ATOM 0 HG21 THR A 72 -3.283 13.128 -3.849 1.00 0.00 H new ATOM 0 HG22 THR A 72 -3.455 11.359 -3.759 1.00 0.00 H new ATOM 0 HG23 THR A 72 -3.865 12.217 -5.263 1.00 0.00 H new ATOM 1036 N LEU A 73 -8.641 11.598 -4.398 1.00 0.00 N ATOM 1037 CA LEU A 73 -10.045 11.751 -4.038 1.00 0.00 C ATOM 1038 C LEU A 73 -10.816 10.900 -5.040 1.00 0.00 C ATOM 1039 O LEU A 73 -10.611 11.079 -6.244 1.00 0.00 O ATOM 1040 CB LEU A 73 -10.438 13.236 -4.123 1.00 0.00 C ATOM 1041 CG LEU A 73 -11.925 13.512 -3.821 1.00 0.00 C ATOM 1042 CD1 LEU A 73 -12.223 13.515 -2.324 1.00 0.00 C ATOM 1043 CD2 LEU A 73 -12.309 14.887 -4.358 1.00 0.00 C ATOM 0 H LEU A 73 -8.487 11.664 -5.404 1.00 0.00 H new ATOM 0 HA LEU A 73 -10.260 11.430 -3.019 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -9.825 13.804 -3.423 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -10.207 13.605 -5.122 1.00 0.00 H new ATOM 0 HG LEU A 73 -12.495 12.714 -4.298 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -13.283 13.714 -2.164 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -11.968 12.544 -1.900 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -11.631 14.290 -1.837 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -13.360 15.081 -4.144 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -11.695 15.649 -3.879 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -12.147 14.915 -5.436 1.00 0.00 H new ATOM 1055 N TYR A 74 -11.621 9.940 -4.584 1.00 0.00 N ATOM 1056 CA TYR A 74 -12.302 9.004 -5.467 1.00 0.00 C ATOM 1057 C TYR A 74 -13.680 8.606 -4.939 1.00 0.00 C ATOM 1058 O TYR A 74 -13.797 8.037 -3.853 1.00 0.00 O ATOM 1059 CB TYR A 74 -11.387 7.792 -5.673 1.00 0.00 C ATOM 1060 CG TYR A 74 -11.863 6.855 -6.756 1.00 0.00 C ATOM 1061 CD1 TYR A 74 -12.789 5.851 -6.439 1.00 0.00 C ATOM 1062 CD2 TYR A 74 -11.406 7.004 -8.079 1.00 0.00 C ATOM 1063 CE1 TYR A 74 -13.296 5.020 -7.445 1.00 0.00 C ATOM 1064 CE2 TYR A 74 -11.888 6.155 -9.090 1.00 0.00 C ATOM 1065 CZ TYR A 74 -12.856 5.171 -8.779 1.00 0.00 C ATOM 1066 OH TYR A 74 -13.414 4.437 -9.776 1.00 0.00 O ATOM 0 H TYR A 74 -11.816 9.793 -3.594 1.00 0.00 H new ATOM 0 HA TYR A 74 -12.494 9.483 -6.427 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -10.385 8.141 -5.921 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -11.310 7.241 -4.735 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -13.112 5.719 -5.417 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -10.684 7.771 -8.317 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -14.025 4.262 -7.201 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -11.521 6.253 -10.101 1.00 0.00 H new ATOM 0 HH TYR A 74 -12.992 4.670 -10.629 1.00 0.00 H new ATOM 1076 N THR A 75 -14.712 8.874 -5.737 1.00 0.00 N ATOM 1077 CA THR A 75 -16.057 8.337 -5.626 1.00 0.00 C ATOM 1078 C THR A 75 -16.064 6.842 -5.984 1.00 0.00 C ATOM 1079 O THR A 75 -16.000 6.459 -7.162 1.00 0.00 O ATOM 1080 CB THR A 75 -16.976 9.146 -6.545 1.00 0.00 C ATOM 1081 OG1 THR A 75 -16.928 10.529 -6.254 1.00 0.00 O ATOM 1082 CG2 THR A 75 -18.439 8.705 -6.476 1.00 0.00 C ATOM 0 H THR A 75 -14.620 9.513 -6.527 1.00 0.00 H new ATOM 0 HA THR A 75 -16.419 8.421 -4.601 1.00 0.00 H new ATOM 0 HB THR A 75 -16.596 8.956 -7.549 1.00 0.00 H new ATOM 0 HG1 THR A 75 -17.044 10.665 -5.290 1.00 0.00 H new ATOM 0 HG21 THR A 75 -19.036 9.318 -7.151 1.00 0.00 H new ATOM 0 HG22 THR A 75 -18.518 7.659 -6.771 1.00 0.00 H new ATOM 0 HG23 THR A 75 -18.807 8.823 -5.457 1.00 0.00 H new ATOM 1090 N VAL A 76 -16.146 6.004 -4.961 1.00 0.00 N ATOM 1091 CA VAL A 76 -16.594 4.621 -4.998 1.00 0.00 C ATOM 1092 C VAL A 76 -18.045 4.608 -5.492 1.00 0.00 C ATOM 1093 O VAL A 76 -18.791 5.551 -5.221 1.00 0.00 O ATOM 1094 CB VAL A 76 -16.516 4.048 -3.566 1.00 0.00 C ATOM 1095 CG1 VAL A 76 -16.672 2.521 -3.589 1.00 0.00 C ATOM 1096 CG2 VAL A 76 -15.219 4.452 -2.839 1.00 0.00 C ATOM 0 H VAL A 76 -15.883 6.293 -4.019 1.00 0.00 H new ATOM 0 HA VAL A 76 -15.974 4.019 -5.662 1.00 0.00 H new ATOM 0 HB VAL A 76 -17.342 4.481 -3.002 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -16.615 2.134 -2.572 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -17.638 2.260 -4.022 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -15.875 2.083 -4.189 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -15.215 4.023 -1.837 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -14.359 4.081 -3.396 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -15.164 5.538 -2.769 1.00 0.00 H new ATOM 1106 N ARG A 77 -18.469 3.555 -6.196 1.00 0.00 N ATOM 1107 CA ARG A 77 -19.826 3.386 -6.723 1.00 0.00 C ATOM 1108 C ARG A 77 -20.272 1.934 -6.565 1.00 0.00 C ATOM 1109 O ARG A 77 -19.483 1.076 -6.177 1.00 0.00 O ATOM 1110 CB ARG A 77 -19.842 3.785 -8.207 1.00 0.00 C ATOM 1111 CG ARG A 77 -19.582 5.278 -8.413 1.00 0.00 C ATOM 1112 CD ARG A 77 -19.425 5.626 -9.893 1.00 0.00 C ATOM 1113 NE ARG A 77 -19.174 7.065 -10.062 1.00 0.00 N ATOM 1114 CZ ARG A 77 -20.074 8.038 -10.242 1.00 0.00 C ATOM 1115 NH1 ARG A 77 -21.362 7.775 -10.439 1.00 0.00 N ATOM 1116 NH2 ARG A 77 -19.662 9.295 -10.234 1.00 0.00 N ATOM 0 H ARG A 77 -17.857 2.771 -6.422 1.00 0.00 H new ATOM 0 HA ARG A 77 -20.515 4.022 -6.168 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -19.087 3.210 -8.743 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -20.808 3.524 -8.640 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -20.406 5.853 -7.990 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -18.680 5.568 -7.873 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -18.601 5.055 -10.321 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -20.326 5.342 -10.437 1.00 0.00 H new ATOM 0 HE ARG A 77 -18.197 7.356 -10.039 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -21.688 6.809 -10.456 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -22.024 8.539 -10.573 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -18.674 9.507 -10.092 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -20.332 10.052 -10.369 1.00 0.00 H new ATOM 1130 N GLY A 78 -21.528 1.652 -6.915 1.00 0.00 N ATOM 1131 CA GLY A 78 -22.032 0.294 -7.112 1.00 0.00 C ATOM 1132 C GLY A 78 -22.328 -0.460 -5.826 1.00 0.00 C ATOM 1133 O GLY A 78 -22.627 -1.653 -5.876 1.00 0.00 O ATOM 0 H GLY A 78 -22.233 2.372 -7.072 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -22.943 0.341 -7.709 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -21.301 -0.271 -7.690 1.00 0.00 H new ATOM 1137 N LEU A 79 -22.258 0.213 -4.682 1.00 0.00 N ATOM 1138 CA LEU A 79 -22.364 -0.389 -3.360 1.00 0.00 C ATOM 1139 C LEU A 79 -23.822 -0.750 -3.093 1.00 0.00 C ATOM 1140 O LEU A 79 -24.685 -0.674 -3.971 1.00 0.00 O ATOM 1141 CB LEU A 79 -21.809 0.578 -2.292 1.00 0.00 C ATOM 1142 CG LEU A 79 -20.368 1.018 -2.579 1.00 0.00 C ATOM 1143 CD1 LEU A 79 -20.070 2.339 -1.887 1.00 0.00 C ATOM 1144 CD2 LEU A 79 -19.325 -0.019 -2.173 1.00 0.00 C ATOM 0 H LEU A 79 -22.122 1.223 -4.650 1.00 0.00 H new ATOM 0 HA LEU A 79 -21.769 -1.301 -3.314 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -22.449 1.459 -2.238 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -21.849 0.095 -1.316 1.00 0.00 H new ATOM 0 HG LEU A 79 -20.297 1.135 -3.660 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -19.044 2.638 -2.100 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -20.754 3.104 -2.253 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -20.198 2.223 -0.811 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -18.329 0.357 -2.404 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -19.401 -0.212 -1.103 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -19.499 -0.945 -2.722 1.00 0.00 H new ATOM 1156 N ARG A 80 -24.113 -1.151 -1.865 1.00 0.00 N ATOM 1157 CA ARG A 80 -25.449 -1.522 -1.420 1.00 0.00 C ATOM 1158 C ARG A 80 -25.906 -0.492 -0.405 1.00 0.00 C ATOM 1159 O ARG A 80 -25.135 -0.177 0.501 1.00 0.00 O ATOM 1160 CB ARG A 80 -25.476 -2.923 -0.807 1.00 0.00 C ATOM 1161 CG ARG A 80 -25.098 -3.950 -1.872 1.00 0.00 C ATOM 1162 CD ARG A 80 -25.127 -5.367 -1.296 1.00 0.00 C ATOM 1163 NE ARG A 80 -26.429 -6.030 -1.472 1.00 0.00 N ATOM 1164 CZ ARG A 80 -26.635 -7.354 -1.434 1.00 0.00 C ATOM 1165 NH1 ARG A 80 -25.613 -8.198 -1.330 1.00 0.00 N ATOM 1166 NH2 ARG A 80 -27.869 -7.833 -1.495 1.00 0.00 N ATOM 0 H ARG A 80 -23.409 -1.230 -1.131 1.00 0.00 H new ATOM 0 HA ARG A 80 -26.121 -1.542 -2.278 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -24.781 -2.979 0.031 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -26.469 -3.140 -0.413 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -25.789 -3.880 -2.712 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -24.103 -3.730 -2.258 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -24.353 -5.965 -1.776 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -24.886 -5.327 -0.234 1.00 0.00 H new ATOM 0 HE ARG A 80 -27.240 -5.434 -1.636 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -24.659 -7.840 -1.278 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -25.783 -9.203 -1.302 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -28.661 -7.194 -1.571 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -28.027 -8.840 -1.466 1.00 0.00 H new ATOM 1180 N PRO A 81 -27.131 0.026 -0.523 1.00 0.00 N ATOM 1181 CA PRO A 81 -27.728 0.870 0.505 1.00 0.00 C ATOM 1182 C PRO A 81 -27.836 0.149 1.863 1.00 0.00 C ATOM 1183 O PRO A 81 -27.808 -1.085 1.911 1.00 0.00 O ATOM 1184 CB PRO A 81 -29.067 1.317 -0.082 1.00 0.00 C ATOM 1185 CG PRO A 81 -28.979 1.029 -1.582 1.00 0.00 C ATOM 1186 CD PRO A 81 -27.996 -0.119 -1.679 1.00 0.00 C ATOM 0 HA PRO A 81 -27.112 1.737 0.744 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -29.895 0.773 0.373 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -29.241 2.377 0.104 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -29.951 0.758 -1.994 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -28.630 1.901 -2.136 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -28.510 -1.080 -1.669 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -27.426 -0.072 -2.607 1.00 0.00 H new ATOM 1194 N ASN A 82 -27.898 0.936 2.951 1.00 0.00 N ATOM 1195 CA ASN A 82 -27.958 0.544 4.369 1.00 0.00 C ATOM 1196 C ASN A 82 -27.023 -0.622 4.730 1.00 0.00 C ATOM 1197 O ASN A 82 -27.338 -1.446 5.587 1.00 0.00 O ATOM 1198 CB ASN A 82 -29.421 0.287 4.764 1.00 0.00 C ATOM 1199 CG ASN A 82 -29.668 0.505 6.250 1.00 0.00 C ATOM 1200 OD1 ASN A 82 -29.499 1.615 6.744 1.00 0.00 O ATOM 1201 ND2 ASN A 82 -30.129 -0.493 6.979 1.00 0.00 N ATOM 0 H ASN A 82 -27.908 1.951 2.851 1.00 0.00 H new ATOM 0 HA ASN A 82 -27.576 1.375 4.963 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -30.071 0.947 4.190 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -29.692 -0.735 4.500 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -30.349 -0.346 7.964 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -30.266 -1.412 6.558 1.00 0.00 H new ATOM 1208 N THR A 83 -25.862 -0.706 4.078 1.00 0.00 N ATOM 1209 CA THR A 83 -24.868 -1.763 4.215 1.00 0.00 C ATOM 1210 C THR A 83 -23.570 -1.094 4.672 1.00 0.00 C ATOM 1211 O THR A 83 -23.209 -0.005 4.213 1.00 0.00 O ATOM 1212 CB THR A 83 -24.787 -2.547 2.878 1.00 0.00 C ATOM 1213 OG1 THR A 83 -26.052 -3.127 2.585 1.00 0.00 O ATOM 1214 CG2 THR A 83 -23.746 -3.658 2.869 1.00 0.00 C ATOM 0 H THR A 83 -25.578 0.004 3.403 1.00 0.00 H new ATOM 0 HA THR A 83 -25.117 -2.514 4.965 1.00 0.00 H new ATOM 0 HB THR A 83 -24.489 -1.816 2.127 1.00 0.00 H new ATOM 0 HG1 THR A 83 -26.688 -2.421 2.346 1.00 0.00 H new ATOM 0 HG21 THR A 83 -23.754 -4.156 1.899 1.00 0.00 H new ATOM 0 HG22 THR A 83 -22.759 -3.233 3.051 1.00 0.00 H new ATOM 0 HG23 THR A 83 -23.979 -4.381 3.650 1.00 0.00 H new ATOM 1222 N ILE A 84 -22.915 -1.715 5.650 1.00 0.00 N ATOM 1223 CA ILE A 84 -21.616 -1.297 6.145 1.00 0.00 C ATOM 1224 C ILE A 84 -20.553 -1.651 5.114 1.00 0.00 C ATOM 1225 O ILE A 84 -20.666 -2.687 4.449 1.00 0.00 O ATOM 1226 CB ILE A 84 -21.341 -1.971 7.506 1.00 0.00 C ATOM 1227 CG1 ILE A 84 -22.252 -1.426 8.626 1.00 0.00 C ATOM 1228 CG2 ILE A 84 -19.860 -1.886 7.948 1.00 0.00 C ATOM 1229 CD1 ILE A 84 -22.236 0.087 8.843 1.00 0.00 C ATOM 0 H ILE A 84 -23.284 -2.538 6.126 1.00 0.00 H new ATOM 0 HA ILE A 84 -21.595 -0.218 6.299 1.00 0.00 H new ATOM 0 HB ILE A 84 -21.575 -3.023 7.345 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -23.277 -1.729 8.410 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -21.968 -1.908 9.562 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -19.739 -2.380 8.912 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -19.230 -2.378 7.207 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -19.566 -0.840 8.037 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -22.915 0.345 9.655 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -21.226 0.407 9.099 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -22.555 0.589 7.930 1.00 0.00 H new ATOM 1241 N TYR A 85 -19.497 -0.841 5.050 1.00 0.00 N ATOM 1242 CA TYR A 85 -18.296 -1.102 4.265 1.00 0.00 C ATOM 1243 C TYR A 85 -17.065 -0.660 5.015 1.00 0.00 C ATOM 1244 O TYR A 85 -17.083 0.341 5.729 1.00 0.00 O ATOM 1245 CB TYR A 85 -18.327 -0.356 2.919 1.00 0.00 C ATOM 1246 CG TYR A 85 -19.371 -0.858 1.954 1.00 0.00 C ATOM 1247 CD1 TYR A 85 -20.708 -0.438 2.075 1.00 0.00 C ATOM 1248 CD2 TYR A 85 -19.014 -1.816 0.991 1.00 0.00 C ATOM 1249 CE1 TYR A 85 -21.700 -1.032 1.281 1.00 0.00 C ATOM 1250 CE2 TYR A 85 -20.005 -2.432 0.213 1.00 0.00 C ATOM 1251 CZ TYR A 85 -21.352 -2.061 0.382 1.00 0.00 C ATOM 1252 OH TYR A 85 -22.317 -2.713 -0.308 1.00 0.00 O ATOM 0 H TYR A 85 -19.455 0.042 5.560 1.00 0.00 H new ATOM 0 HA TYR A 85 -18.265 -2.176 4.084 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -18.503 0.703 3.108 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -17.347 -0.437 2.450 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -20.970 0.340 2.777 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -17.976 -2.078 0.850 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -22.726 -0.703 1.358 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -19.736 -3.187 -0.511 1.00 0.00 H new ATOM 0 HH TYR A 85 -21.906 -3.391 -0.884 1.00 0.00 H new ATOM 1262 N LEU A 86 -15.974 -1.367 4.751 1.00 0.00 N ATOM 1263 CA LEU A 86 -14.625 -0.916 5.046 1.00 0.00 C ATOM 1264 C LEU A 86 -13.949 -0.562 3.749 1.00 0.00 C ATOM 1265 O LEU A 86 -14.404 -0.994 2.697 1.00 0.00 O ATOM 1266 CB LEU A 86 -13.841 -1.980 5.827 1.00 0.00 C ATOM 1267 CG LEU A 86 -14.456 -2.275 7.199 1.00 0.00 C ATOM 1268 CD1 LEU A 86 -14.023 -3.623 7.749 1.00 0.00 C ATOM 1269 CD2 LEU A 86 -14.102 -1.187 8.211 1.00 0.00 C ATOM 0 H LEU A 86 -16.006 -2.289 4.317 1.00 0.00 H new ATOM 0 HA LEU A 86 -14.661 -0.034 5.685 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -13.804 -2.900 5.244 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -12.812 -1.645 5.958 1.00 0.00 H new ATOM 0 HG LEU A 86 -15.535 -2.295 7.047 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -14.486 -3.784 8.723 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -14.334 -4.412 7.064 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -12.938 -3.641 7.855 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -14.553 -1.425 9.174 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -13.019 -1.131 8.321 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -14.481 -0.227 7.861 1.00 0.00 H new ATOM 1281 N PHE A 87 -12.879 0.227 3.847 1.00 0.00 N ATOM 1282 CA PHE A 87 -12.018 0.577 2.736 1.00 0.00 C ATOM 1283 C PHE A 87 -10.576 0.613 3.233 1.00 0.00 C ATOM 1284 O PHE A 87 -10.347 1.076 4.358 1.00 0.00 O ATOM 1285 CB PHE A 87 -12.412 1.948 2.168 1.00 0.00 C ATOM 1286 CG PHE A 87 -13.797 2.018 1.551 1.00 0.00 C ATOM 1287 CD1 PHE A 87 -14.084 1.301 0.376 1.00 0.00 C ATOM 1288 CD2 PHE A 87 -14.793 2.827 2.124 1.00 0.00 C ATOM 1289 CE1 PHE A 87 -15.359 1.387 -0.218 1.00 0.00 C ATOM 1290 CE2 PHE A 87 -16.047 2.937 1.502 1.00 0.00 C ATOM 1291 CZ PHE A 87 -16.341 2.227 0.333 1.00 0.00 C ATOM 0 H PHE A 87 -12.586 0.648 4.729 1.00 0.00 H new ATOM 0 HA PHE A 87 -12.121 -0.164 1.943 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -12.350 2.686 2.968 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -11.680 2.234 1.413 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -13.323 0.681 -0.074 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -14.594 3.363 3.040 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -15.582 0.805 -1.100 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -16.798 3.582 1.934 1.00 0.00 H new ATOM 0 HZ PHE A 87 -17.308 2.323 -0.139 1.00 0.00 H new ATOM 1301 N MET A 88 -9.613 0.200 2.401 1.00 0.00 N ATOM 1302 CA MET A 88 -8.212 0.578 2.556 1.00 0.00 C ATOM 1303 C MET A 88 -7.738 1.075 1.199 1.00 0.00 C ATOM 1304 O MET A 88 -8.260 0.637 0.171 1.00 0.00 O ATOM 1305 CB MET A 88 -7.338 -0.604 3.005 1.00 0.00 C ATOM 1306 CG MET A 88 -7.778 -1.185 4.346 1.00 0.00 C ATOM 1307 SD MET A 88 -6.533 -2.183 5.197 1.00 0.00 S ATOM 1308 CE MET A 88 -6.554 -3.664 4.161 1.00 0.00 C ATOM 0 H MET A 88 -9.788 -0.407 1.600 1.00 0.00 H new ATOM 0 HA MET A 88 -8.125 1.343 3.327 1.00 0.00 H new ATOM 0 HB2 MET A 88 -7.373 -1.385 2.246 1.00 0.00 H new ATOM 0 HB3 MET A 88 -6.301 -0.277 3.078 1.00 0.00 H new ATOM 0 HG2 MET A 88 -8.073 -0.365 5.000 1.00 0.00 H new ATOM 0 HG3 MET A 88 -8.665 -1.798 4.185 1.00 0.00 H new ATOM 0 HE1 MET A 88 -5.838 -4.389 4.548 1.00 0.00 H new ATOM 0 HE2 MET A 88 -7.553 -4.100 4.170 1.00 0.00 H new ATOM 0 HE3 MET A 88 -6.284 -3.397 3.139 1.00 0.00 H new ATOM 1318 N VAL A 89 -6.736 1.944 1.187 1.00 0.00 N ATOM 1319 CA VAL A 89 -6.045 2.396 -0.008 1.00 0.00 C ATOM 1320 C VAL A 89 -4.725 1.622 -0.043 1.00 0.00 C ATOM 1321 O VAL A 89 -4.137 1.324 1.002 1.00 0.00 O ATOM 1322 CB VAL A 89 -5.835 3.924 0.066 1.00 0.00 C ATOM 1323 CG1 VAL A 89 -5.134 4.472 -1.186 1.00 0.00 C ATOM 1324 CG2 VAL A 89 -7.169 4.675 0.219 1.00 0.00 C ATOM 0 H VAL A 89 -6.371 2.367 2.040 1.00 0.00 H new ATOM 0 HA VAL A 89 -6.609 2.210 -0.922 1.00 0.00 H new ATOM 0 HB VAL A 89 -5.208 4.090 0.942 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -5.007 5.550 -1.090 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -4.157 4.000 -1.292 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -5.739 4.255 -2.066 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -6.979 5.747 0.268 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -7.809 4.458 -0.636 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -7.665 4.353 1.134 1.00 0.00 H new ATOM 1334 N ARG A 90 -4.227 1.335 -1.241 1.00 0.00 N ATOM 1335 CA ARG A 90 -2.954 0.676 -1.472 1.00 0.00 C ATOM 1336 C ARG A 90 -2.195 1.464 -2.522 1.00 0.00 C ATOM 1337 O ARG A 90 -2.804 1.865 -3.511 1.00 0.00 O ATOM 1338 CB ARG A 90 -3.209 -0.777 -1.922 1.00 0.00 C ATOM 1339 CG ARG A 90 -3.123 -1.751 -0.731 1.00 0.00 C ATOM 1340 CD ARG A 90 -2.725 -3.152 -1.206 1.00 0.00 C ATOM 1341 NE ARG A 90 -2.029 -3.910 -0.154 1.00 0.00 N ATOM 1342 CZ ARG A 90 -2.229 -5.188 0.184 1.00 0.00 C ATOM 1343 NH1 ARG A 90 -3.202 -5.906 -0.380 1.00 0.00 N ATOM 1344 NH2 ARG A 90 -1.452 -5.740 1.103 1.00 0.00 N ATOM 0 H ARG A 90 -4.718 1.564 -2.105 1.00 0.00 H new ATOM 0 HA ARG A 90 -2.356 0.641 -0.561 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -4.193 -0.850 -2.385 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -2.478 -1.060 -2.680 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -2.394 -1.386 -0.008 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -4.085 -1.794 -0.220 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -3.616 -3.697 -1.517 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -2.080 -3.069 -2.081 1.00 0.00 H new ATOM 0 HE ARG A 90 -1.317 -3.406 0.374 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -3.808 -5.481 -1.082 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -3.340 -6.880 -0.109 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -0.713 -5.191 1.543 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -1.592 -6.714 1.371 1.00 0.00 H new ATOM 1358 N ALA A 91 -0.896 1.703 -2.338 1.00 0.00 N ATOM 1359 CA ALA A 91 -0.057 2.251 -3.393 1.00 0.00 C ATOM 1360 C ALA A 91 0.477 1.099 -4.242 1.00 0.00 C ATOM 1361 O ALA A 91 0.660 -0.020 -3.753 1.00 0.00 O ATOM 1362 CB ALA A 91 1.089 3.085 -2.811 1.00 0.00 C ATOM 0 H ALA A 91 -0.405 1.523 -1.462 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.650 2.919 -4.018 1.00 0.00 H new ATOM 0 HB1 ALA A 91 1.699 3.482 -3.623 1.00 0.00 H new ATOM 0 HB2 ALA A 91 0.679 3.910 -2.229 1.00 0.00 H new ATOM 0 HB3 ALA A 91 1.705 2.457 -2.167 1.00 0.00 H new ATOM 1368 N ILE A 92 0.749 1.399 -5.506 1.00 0.00 N ATOM 1369 CA ILE A 92 1.354 0.529 -6.501 1.00 0.00 C ATOM 1370 C ILE A 92 2.614 1.190 -7.042 1.00 0.00 C ATOM 1371 O ILE A 92 2.672 2.410 -7.225 1.00 0.00 O ATOM 1372 CB ILE A 92 0.308 0.201 -7.602 1.00 0.00 C ATOM 1373 CG1 ILE A 92 -0.270 -1.168 -7.236 1.00 0.00 C ATOM 1374 CG2 ILE A 92 0.836 0.228 -9.047 1.00 0.00 C ATOM 1375 CD1 ILE A 92 -1.333 -1.673 -8.204 1.00 0.00 C ATOM 0 H ILE A 92 0.537 2.321 -5.887 1.00 0.00 H new ATOM 0 HA ILE A 92 1.657 -0.422 -6.062 1.00 0.00 H new ATOM 0 HB ILE A 92 -0.447 0.988 -7.612 1.00 0.00 H new ATOM 0 HG12 ILE A 92 0.542 -1.894 -7.194 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -0.701 -1.113 -6.236 1.00 0.00 H new ATOM 0 HG21 ILE A 92 0.026 -0.015 -9.735 1.00 0.00 H new ATOM 0 HG22 ILE A 92 1.221 1.222 -9.275 1.00 0.00 H new ATOM 0 HG23 ILE A 92 1.636 -0.504 -9.156 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -1.692 -2.648 -7.874 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -2.165 -0.970 -8.229 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -0.903 -1.763 -9.202 1.00 0.00 H new ATOM 1387 N ASN A 93 3.586 0.358 -7.405 1.00 0.00 N ATOM 1388 CA ASN A 93 4.866 0.751 -7.982 1.00 0.00 C ATOM 1389 C ASN A 93 5.348 -0.350 -8.945 1.00 0.00 C ATOM 1390 O ASN A 93 4.653 -1.359 -9.108 1.00 0.00 O ATOM 1391 CB ASN A 93 5.868 1.107 -6.860 1.00 0.00 C ATOM 1392 CG ASN A 93 6.805 -0.008 -6.397 1.00 0.00 C ATOM 1393 OD1 ASN A 93 6.470 -1.184 -6.469 1.00 0.00 O ATOM 1394 ND2 ASN A 93 7.985 0.349 -5.917 1.00 0.00 N ATOM 0 H ASN A 93 3.498 -0.653 -7.300 1.00 0.00 H new ATOM 0 HA ASN A 93 4.766 1.658 -8.579 1.00 0.00 H new ATOM 0 HB2 ASN A 93 6.477 1.944 -7.201 1.00 0.00 H new ATOM 0 HB3 ASN A 93 5.302 1.456 -5.996 1.00 0.00 H new ATOM 0 HD21 ASN A 93 8.641 -0.363 -5.596 1.00 0.00 H new ATOM 0 HD22 ASN A 93 8.238 1.336 -5.868 1.00 0.00 H new ATOM 1401 N PRO A 94 6.495 -0.182 -9.625 1.00 0.00 N ATOM 1402 CA PRO A 94 7.038 -1.173 -10.554 1.00 0.00 C ATOM 1403 C PRO A 94 7.400 -2.554 -9.975 1.00 0.00 C ATOM 1404 O PRO A 94 7.854 -3.401 -10.744 1.00 0.00 O ATOM 1405 CB PRO A 94 8.288 -0.523 -11.147 1.00 0.00 C ATOM 1406 CG PRO A 94 8.034 0.971 -11.015 1.00 0.00 C ATOM 1407 CD PRO A 94 7.266 1.052 -9.704 1.00 0.00 C ATOM 0 HA PRO A 94 6.253 -1.411 -11.272 1.00 0.00 H new ATOM 0 HB2 PRO A 94 9.186 -0.823 -10.607 1.00 0.00 H new ATOM 0 HB3 PRO A 94 8.430 -0.812 -12.188 1.00 0.00 H new ATOM 0 HG2 PRO A 94 8.963 1.540 -10.979 1.00 0.00 H new ATOM 0 HG3 PRO A 94 7.454 1.361 -11.851 1.00 0.00 H new ATOM 0 HD2 PRO A 94 7.945 1.145 -8.857 1.00 0.00 H new ATOM 0 HD3 PRO A 94 6.613 1.924 -9.686 1.00 0.00 H new ATOM 1415 N GLN A 95 7.267 -2.795 -8.666 1.00 0.00 N ATOM 1416 CA GLN A 95 7.812 -3.967 -7.978 1.00 0.00 C ATOM 1417 C GLN A 95 6.786 -4.700 -7.111 1.00 0.00 C ATOM 1418 O GLN A 95 7.031 -5.851 -6.754 1.00 0.00 O ATOM 1419 CB GLN A 95 9.017 -3.546 -7.115 1.00 0.00 C ATOM 1420 CG GLN A 95 10.172 -2.934 -7.920 1.00 0.00 C ATOM 1421 CD GLN A 95 10.769 -3.874 -8.963 1.00 0.00 C ATOM 1422 OE1 GLN A 95 10.716 -5.093 -8.836 1.00 0.00 O ATOM 1423 NE2 GLN A 95 11.380 -3.330 -10.002 1.00 0.00 N ATOM 0 H GLN A 95 6.765 -2.164 -8.042 1.00 0.00 H new ATOM 0 HA GLN A 95 8.120 -4.669 -8.753 1.00 0.00 H new ATOM 0 HB2 GLN A 95 8.684 -2.824 -6.370 1.00 0.00 H new ATOM 0 HB3 GLN A 95 9.386 -4.417 -6.573 1.00 0.00 H new ATOM 0 HG2 GLN A 95 9.816 -2.033 -8.420 1.00 0.00 H new ATOM 0 HG3 GLN A 95 10.958 -2.626 -7.231 1.00 0.00 H new ATOM 0 HE21 GLN A 95 11.418 -2.315 -10.097 1.00 0.00 H new ATOM 0 HE22 GLN A 95 11.813 -3.925 -10.708 1.00 0.00 H new ATOM 1432 N GLY A 96 5.660 -4.081 -6.762 1.00 0.00 N ATOM 1433 CA GLY A 96 4.698 -4.650 -5.834 1.00 0.00 C ATOM 1434 C GLY A 96 3.602 -3.657 -5.503 1.00 0.00 C ATOM 1435 O GLY A 96 3.586 -2.528 -6.010 1.00 0.00 O ATOM 0 H GLY A 96 5.392 -3.164 -7.120 1.00 0.00 H new ATOM 0 HA2 GLY A 96 4.259 -5.549 -6.267 1.00 0.00 H new ATOM 0 HA3 GLY A 96 5.207 -4.953 -4.919 1.00 0.00 H new ATOM 1439 N LEU A 97 2.703 -4.055 -4.608 1.00 0.00 N ATOM 1440 CA LEU A 97 1.905 -3.119 -3.828 1.00 0.00 C ATOM 1441 C LEU A 97 2.725 -2.735 -2.596 1.00 0.00 C ATOM 1442 O LEU A 97 3.490 -3.558 -2.095 1.00 0.00 O ATOM 1443 CB LEU A 97 0.582 -3.768 -3.388 1.00 0.00 C ATOM 1444 CG LEU A 97 -0.225 -4.406 -4.536 1.00 0.00 C ATOM 1445 CD1 LEU A 97 -0.409 -5.906 -4.290 1.00 0.00 C ATOM 1446 CD2 LEU A 97 -1.614 -3.790 -4.699 1.00 0.00 C ATOM 0 H LEU A 97 2.508 -5.035 -4.404 1.00 0.00 H new ATOM 0 HA LEU A 97 1.663 -2.242 -4.428 1.00 0.00 H new ATOM 0 HB2 LEU A 97 0.797 -4.533 -2.642 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -0.035 -3.013 -2.902 1.00 0.00 H new ATOM 0 HG LEU A 97 0.350 -4.221 -5.444 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.981 -6.342 -5.109 1.00 0.00 H new ATOM 0 HD12 LEU A 97 0.567 -6.388 -4.232 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -0.945 -6.058 -3.353 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -2.135 -4.279 -5.522 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -2.182 -3.925 -3.779 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -1.517 -2.726 -4.913 1.00 0.00 H new ATOM 1458 N SER A 98 2.508 -1.535 -2.063 1.00 0.00 N ATOM 1459 CA SER A 98 3.012 -1.094 -0.762 1.00 0.00 C ATOM 1460 C SER A 98 2.262 -1.812 0.364 1.00 0.00 C ATOM 1461 O SER A 98 1.226 -2.451 0.137 1.00 0.00 O ATOM 1462 CB SER A 98 2.913 0.439 -0.595 1.00 0.00 C ATOM 1463 OG SER A 98 1.582 0.934 -0.483 1.00 0.00 O ATOM 0 H SER A 98 1.959 -0.819 -2.539 1.00 0.00 H new ATOM 0 HA SER A 98 4.069 -1.355 -0.708 1.00 0.00 H new ATOM 0 HB2 SER A 98 3.473 0.732 0.293 1.00 0.00 H new ATOM 0 HB3 SER A 98 3.395 0.917 -1.448 1.00 0.00 H new ATOM 0 HG SER A 98 1.202 0.660 0.378 1.00 0.00 H new ATOM 1469 N ASP A 99 2.774 -1.679 1.586 1.00 0.00 N ATOM 1470 CA ASP A 99 1.951 -1.787 2.792 1.00 0.00 C ATOM 1471 C ASP A 99 0.615 -1.047 2.582 1.00 0.00 C ATOM 1472 O ASP A 99 0.588 -0.039 1.858 1.00 0.00 O ATOM 1473 CB ASP A 99 2.657 -1.152 4.003 1.00 0.00 C ATOM 1474 CG ASP A 99 4.018 -1.751 4.338 1.00 0.00 C ATOM 1475 OD1 ASP A 99 4.107 -2.985 4.512 1.00 0.00 O ATOM 1476 OD2 ASP A 99 5.017 -0.990 4.391 1.00 0.00 O ATOM 0 H ASP A 99 3.760 -1.495 1.769 1.00 0.00 H new ATOM 0 HA ASP A 99 1.782 -2.847 2.982 1.00 0.00 H new ATOM 0 HB2 ASP A 99 2.782 -0.086 3.815 1.00 0.00 H new ATOM 0 HB3 ASP A 99 2.009 -1.248 4.874 1.00 0.00 H new ATOM 1481 N PRO A 100 -0.491 -1.486 3.205 1.00 0.00 N ATOM 1482 CA PRO A 100 -1.767 -0.792 3.085 1.00 0.00 C ATOM 1483 C PRO A 100 -1.749 0.528 3.866 1.00 0.00 C ATOM 1484 O PRO A 100 -0.903 0.748 4.746 1.00 0.00 O ATOM 1485 CB PRO A 100 -2.804 -1.778 3.637 1.00 0.00 C ATOM 1486 CG PRO A 100 -2.016 -2.541 4.703 1.00 0.00 C ATOM 1487 CD PRO A 100 -0.620 -2.644 4.084 1.00 0.00 C ATOM 0 HA PRO A 100 -1.995 -0.513 2.056 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -3.665 -1.263 4.063 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -3.182 -2.443 2.861 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -1.999 -2.007 5.653 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -2.446 -3.524 4.898 1.00 0.00 H new ATOM 0 HD2 PRO A 100 0.151 -2.639 4.854 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -0.507 -3.574 3.526 1.00 0.00 H new ATOM 1495 N SER A 101 -2.719 1.398 3.576 1.00 0.00 N ATOM 1496 CA SER A 101 -3.100 2.457 4.494 1.00 0.00 C ATOM 1497 C SER A 101 -3.741 1.837 5.746 1.00 0.00 C ATOM 1498 O SER A 101 -4.215 0.700 5.706 1.00 0.00 O ATOM 1499 CB SER A 101 -4.091 3.413 3.806 1.00 0.00 C ATOM 1500 OG SER A 101 -5.368 2.833 3.575 1.00 0.00 O ATOM 0 H SER A 101 -3.253 1.384 2.707 1.00 0.00 H new ATOM 0 HA SER A 101 -2.216 3.023 4.787 1.00 0.00 H new ATOM 0 HB2 SER A 101 -4.211 4.304 4.422 1.00 0.00 H new ATOM 0 HB3 SER A 101 -3.670 3.737 2.854 1.00 0.00 H new ATOM 0 HG SER A 101 -5.872 2.806 4.415 1.00 0.00 H new ATOM 1506 N PRO A 102 -3.918 2.621 6.817 1.00 0.00 N ATOM 1507 CA PRO A 102 -4.984 2.389 7.783 1.00 0.00 C ATOM 1508 C PRO A 102 -6.349 2.152 7.105 1.00 0.00 C ATOM 1509 O PRO A 102 -6.633 2.747 6.055 1.00 0.00 O ATOM 1510 CB PRO A 102 -5.022 3.688 8.585 1.00 0.00 C ATOM 1511 CG PRO A 102 -3.597 4.225 8.528 1.00 0.00 C ATOM 1512 CD PRO A 102 -3.184 3.844 7.112 1.00 0.00 C ATOM 0 HA PRO A 102 -4.799 1.498 8.384 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -5.729 4.397 8.155 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -5.336 3.509 9.613 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -3.558 5.302 8.691 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -2.955 3.766 9.280 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -3.433 4.634 6.403 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -2.108 3.683 7.045 1.00 0.00 H new ATOM 1520 N MET A 103 -7.229 1.362 7.730 1.00 0.00 N ATOM 1521 CA MET A 103 -8.635 1.277 7.360 1.00 0.00 C ATOM 1522 C MET A 103 -9.359 2.600 7.611 1.00 0.00 C ATOM 1523 O MET A 103 -9.185 3.227 8.657 1.00 0.00 O ATOM 1524 CB MET A 103 -9.328 0.162 8.167 1.00 0.00 C ATOM 1525 CG MET A 103 -9.496 -1.119 7.364 1.00 0.00 C ATOM 1526 SD MET A 103 -10.510 -2.368 8.186 1.00 0.00 S ATOM 1527 CE MET A 103 -9.212 -3.372 8.947 1.00 0.00 C ATOM 0 H MET A 103 -6.977 0.760 8.514 1.00 0.00 H new ATOM 0 HA MET A 103 -8.683 1.051 6.295 1.00 0.00 H new ATOM 0 HB2 MET A 103 -8.745 -0.049 9.064 1.00 0.00 H new ATOM 0 HB3 MET A 103 -10.306 0.511 8.497 1.00 0.00 H new ATOM 0 HG2 MET A 103 -9.945 -0.877 6.401 1.00 0.00 H new ATOM 0 HG3 MET A 103 -8.512 -1.540 7.160 1.00 0.00 H new ATOM 0 HE1 MET A 103 -9.665 -4.195 9.499 1.00 0.00 H new ATOM 0 HE2 MET A 103 -8.559 -3.771 8.171 1.00 0.00 H new ATOM 0 HE3 MET A 103 -8.628 -2.755 9.630 1.00 0.00 H new ATOM 1537 N SER A 104 -10.290 2.930 6.712 1.00 0.00 N ATOM 1538 CA SER A 104 -11.270 4.014 6.810 1.00 0.00 C ATOM 1539 C SER A 104 -12.113 3.967 8.092 1.00 0.00 C ATOM 1540 O SER A 104 -12.642 4.999 8.514 1.00 0.00 O ATOM 1541 CB SER A 104 -12.166 3.887 5.552 1.00 0.00 C ATOM 1542 OG SER A 104 -13.445 4.484 5.642 1.00 0.00 O ATOM 0 H SER A 104 -10.385 2.412 5.838 1.00 0.00 H new ATOM 0 HA SER A 104 -10.755 4.973 6.859 1.00 0.00 H new ATOM 0 HB2 SER A 104 -11.638 4.330 4.707 1.00 0.00 H new ATOM 0 HB3 SER A 104 -12.295 2.828 5.327 1.00 0.00 H new ATOM 0 HG SER A 104 -14.002 3.972 6.265 1.00 0.00 H new ATOM 1548 N ASP A 105 -12.230 2.788 8.705 1.00 0.00 N ATOM 1549 CA ASP A 105 -13.230 2.409 9.706 1.00 0.00 C ATOM 1550 C ASP A 105 -14.636 2.350 9.061 1.00 0.00 C ATOM 1551 O ASP A 105 -14.845 2.974 8.011 1.00 0.00 O ATOM 1552 CB ASP A 105 -13.122 3.320 10.947 1.00 0.00 C ATOM 1553 CG ASP A 105 -13.189 2.621 12.308 1.00 0.00 C ATOM 1554 OD1 ASP A 105 -12.877 1.413 12.405 1.00 0.00 O ATOM 1555 OD2 ASP A 105 -13.498 3.289 13.320 1.00 0.00 O ATOM 0 H ASP A 105 -11.587 2.022 8.503 1.00 0.00 H new ATOM 0 HA ASP A 105 -13.037 1.401 10.074 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -12.181 3.867 10.889 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -13.923 4.058 10.901 1.00 0.00 H new ATOM 1560 N PRO A 106 -15.586 1.556 9.597 1.00 0.00 N ATOM 1561 CA PRO A 106 -16.759 1.096 8.859 1.00 0.00 C ATOM 1562 C PRO A 106 -17.719 2.244 8.560 1.00 0.00 C ATOM 1563 O PRO A 106 -18.338 2.782 9.483 1.00 0.00 O ATOM 1564 CB PRO A 106 -17.411 -0.006 9.703 1.00 0.00 C ATOM 1565 CG PRO A 106 -16.870 0.215 11.108 1.00 0.00 C ATOM 1566 CD PRO A 106 -15.523 0.891 10.884 1.00 0.00 C ATOM 0 HA PRO A 106 -16.474 0.701 7.884 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -18.498 0.069 9.681 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -17.152 -0.997 9.330 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -17.538 0.842 11.698 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -16.759 -0.727 11.645 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -15.316 1.608 11.678 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -14.717 0.157 10.899 1.00 0.00 H new ATOM 1574 N VAL A 107 -17.831 2.644 7.295 1.00 0.00 N ATOM 1575 CA VAL A 107 -18.894 3.552 6.861 1.00 0.00 C ATOM 1576 C VAL A 107 -20.193 2.746 6.791 1.00 0.00 C ATOM 1577 O VAL A 107 -20.157 1.520 6.664 1.00 0.00 O ATOM 1578 CB VAL A 107 -18.535 4.209 5.506 1.00 0.00 C ATOM 1579 CG1 VAL A 107 -18.323 3.185 4.387 1.00 0.00 C ATOM 1580 CG2 VAL A 107 -19.564 5.245 5.028 1.00 0.00 C ATOM 0 H VAL A 107 -17.198 2.354 6.550 1.00 0.00 H new ATOM 0 HA VAL A 107 -19.018 4.371 7.569 1.00 0.00 H new ATOM 0 HB VAL A 107 -17.596 4.724 5.711 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -18.074 3.704 3.461 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -17.508 2.514 4.657 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -19.236 2.607 4.245 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -19.244 5.662 4.073 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -20.535 4.765 4.907 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -19.644 6.045 5.764 1.00 0.00 H new ATOM 1590 N ARG A 108 -21.335 3.431 6.761 1.00 0.00 N ATOM 1591 CA ARG A 108 -22.618 2.882 6.355 1.00 0.00 C ATOM 1592 C ARG A 108 -23.110 3.719 5.189 1.00 0.00 C ATOM 1593 O ARG A 108 -23.096 4.951 5.282 1.00 0.00 O ATOM 1594 CB ARG A 108 -23.583 3.002 7.536 1.00 0.00 C ATOM 1595 CG ARG A 108 -24.873 2.171 7.403 1.00 0.00 C ATOM 1596 CD ARG A 108 -26.035 3.001 7.948 1.00 0.00 C ATOM 1597 NE ARG A 108 -27.007 2.225 8.722 1.00 0.00 N ATOM 1598 CZ ARG A 108 -28.093 2.744 9.303 1.00 0.00 C ATOM 1599 NH1 ARG A 108 -28.314 4.056 9.312 1.00 0.00 N ATOM 1600 NH2 ARG A 108 -28.965 1.937 9.885 1.00 0.00 N ATOM 0 H ARG A 108 -21.389 4.414 7.028 1.00 0.00 H new ATOM 0 HA ARG A 108 -22.543 1.835 6.061 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -23.063 2.697 8.444 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -23.854 4.050 7.661 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -25.050 1.908 6.360 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -24.782 1.236 7.956 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -25.636 3.797 8.577 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -26.549 3.480 7.115 1.00 0.00 H new ATOM 0 HE ARG A 108 -26.844 1.223 8.824 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -27.647 4.689 8.869 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -29.150 4.429 9.762 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -28.805 0.930 9.887 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -29.797 2.322 10.331 1.00 0.00 H new ATOM 1614 N THR A 109 -23.581 3.082 4.125 1.00 0.00 N ATOM 1615 CA THR A 109 -24.336 3.766 3.084 1.00 0.00 C ATOM 1616 C THR A 109 -25.631 4.333 3.679 1.00 0.00 C ATOM 1617 O THR A 109 -25.951 4.069 4.841 1.00 0.00 O ATOM 1618 CB THR A 109 -24.555 2.782 1.926 1.00 0.00 C ATOM 1619 OG1 THR A 109 -25.182 1.607 2.388 1.00 0.00 O ATOM 1620 CG2 THR A 109 -23.223 2.342 1.327 1.00 0.00 C ATOM 0 H THR A 109 -23.452 2.084 3.960 1.00 0.00 H new ATOM 0 HA THR A 109 -23.795 4.622 2.681 1.00 0.00 H new ATOM 0 HB THR A 109 -25.168 3.298 1.187 1.00 0.00 H new ATOM 0 HG1 THR A 109 -24.841 0.836 1.889 1.00 0.00 H new ATOM 0 HG21 THR A 109 -23.405 1.645 0.509 1.00 0.00 H new ATOM 0 HG22 THR A 109 -22.688 3.214 0.950 1.00 0.00 H new ATOM 0 HG23 THR A 109 -22.623 1.852 2.094 1.00 0.00 H new ATOM 1628 N GLN A 110 -26.354 5.177 2.939 1.00 0.00 N ATOM 1629 CA GLN A 110 -27.597 5.767 3.432 1.00 0.00 C ATOM 1630 C GLN A 110 -28.717 4.748 3.227 1.00 0.00 C ATOM 1631 O GLN A 110 -28.677 3.666 3.805 1.00 0.00 O ATOM 1632 CB GLN A 110 -27.853 7.130 2.770 1.00 0.00 C ATOM 1633 CG GLN A 110 -26.709 8.105 3.070 1.00 0.00 C ATOM 1634 CD GLN A 110 -26.964 9.485 2.477 1.00 0.00 C ATOM 1635 OE1 GLN A 110 -27.567 9.610 1.415 1.00 0.00 O ATOM 1636 NE2 GLN A 110 -26.470 10.534 3.109 1.00 0.00 N ATOM 0 H GLN A 110 -26.098 5.466 1.995 1.00 0.00 H new ATOM 0 HA GLN A 110 -27.539 5.984 4.499 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -27.955 7.002 1.692 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -28.794 7.544 3.132 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -26.581 8.192 4.149 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -25.777 7.705 2.670 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -25.972 10.410 3.990 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -26.587 11.468 2.716 1.00 0.00 H new ATOM 1645 N ASP A 111 -29.703 5.054 2.396 1.00 0.00 N ATOM 1646 CA ASP A 111 -30.766 4.139 1.990 1.00 0.00 C ATOM 1647 C ASP A 111 -31.202 4.582 0.596 1.00 0.00 C ATOM 1648 O ASP A 111 -30.845 5.670 0.134 1.00 0.00 O ATOM 1649 CB ASP A 111 -31.926 4.155 3.004 1.00 0.00 C ATOM 1650 CG ASP A 111 -32.811 2.904 2.998 1.00 0.00 C ATOM 1651 OD1 ASP A 111 -33.084 2.325 1.922 1.00 0.00 O ATOM 1652 OD2 ASP A 111 -33.243 2.489 4.094 1.00 0.00 O ATOM 0 H ASP A 111 -29.790 5.977 1.970 1.00 0.00 H new ATOM 0 HA ASP A 111 -30.420 3.106 1.965 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -31.512 4.284 4.004 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -32.552 5.025 2.803 1.00 0.00 H new ATOM 1657 N SER A 112 -31.950 3.737 -0.092 1.00 0.00 N ATOM 1658 CA SER A 112 -32.453 3.946 -1.432 1.00 0.00 C ATOM 1659 C SER A 112 -33.771 4.741 -1.415 1.00 0.00 C ATOM 1660 O SER A 112 -34.530 4.657 -2.383 1.00 0.00 O ATOM 1661 CB SER A 112 -32.600 2.552 -2.046 1.00 0.00 C ATOM 1662 OG SER A 112 -32.748 2.605 -3.448 1.00 0.00 O ATOM 0 H SER A 112 -32.237 2.837 0.294 1.00 0.00 H new ATOM 0 HA SER A 112 -31.775 4.551 -2.034 1.00 0.00 H new ATOM 0 HB2 SER A 112 -31.725 1.952 -1.796 1.00 0.00 H new ATOM 0 HB3 SER A 112 -33.465 2.053 -1.609 1.00 0.00 H new ATOM 0 HG SER A 112 -33.385 3.312 -3.683 1.00 0.00 H new ATOM 1668 N GLY A 113 -34.082 5.486 -0.349 1.00 0.00 N ATOM 1669 CA GLY A 113 -35.111 6.522 -0.390 1.00 0.00 C ATOM 1670 C GLY A 113 -34.578 7.762 -1.122 1.00 0.00 C ATOM 1671 O GLY A 113 -33.397 7.788 -1.489 1.00 0.00 O ATOM 0 H GLY A 113 -33.629 5.386 0.559 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -35.999 6.144 -0.896 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -35.411 6.789 0.623 1.00 0.00 H new ATOM 1675 N PRO A 114 -35.407 8.791 -1.360 1.00 0.00 N ATOM 1676 CA PRO A 114 -34.948 10.046 -1.942 1.00 0.00 C ATOM 1677 C PRO A 114 -34.278 10.967 -0.908 1.00 0.00 C ATOM 1678 O PRO A 114 -33.490 11.828 -1.303 1.00 0.00 O ATOM 1679 CB PRO A 114 -36.204 10.684 -2.541 1.00 0.00 C ATOM 1680 CG PRO A 114 -37.329 10.182 -1.636 1.00 0.00 C ATOM 1681 CD PRO A 114 -36.853 8.794 -1.194 1.00 0.00 C ATOM 0 HA PRO A 114 -34.176 9.876 -2.692 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -36.142 11.772 -2.537 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -36.355 10.377 -3.576 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -37.481 10.843 -0.783 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -38.278 10.128 -2.170 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -37.127 8.600 -0.157 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -37.316 8.013 -1.797 1.00 0.00 H new ATOM 1689 N SER A 115 -34.547 10.790 0.390 1.00 0.00 N ATOM 1690 CA SER A 115 -34.223 11.738 1.453 1.00 0.00 C ATOM 1691 C SER A 115 -34.780 13.145 1.180 1.00 0.00 C ATOM 1692 O SER A 115 -34.083 14.146 1.354 1.00 0.00 O ATOM 1693 CB SER A 115 -32.726 11.713 1.792 1.00 0.00 C ATOM 1694 OG SER A 115 -32.393 10.464 2.374 1.00 0.00 O ATOM 0 H SER A 115 -35.013 9.952 0.738 1.00 0.00 H new ATOM 0 HA SER A 115 -34.739 11.409 2.355 1.00 0.00 H new ATOM 0 HB2 SER A 115 -32.135 11.875 0.890 1.00 0.00 H new ATOM 0 HB3 SER A 115 -32.485 12.523 2.481 1.00 0.00 H new ATOM 0 HG SER A 115 -31.437 10.448 2.589 1.00 0.00 H new ATOM 1700 N SER A 116 -36.061 13.235 0.806 1.00 0.00 N ATOM 1701 CA SER A 116 -36.796 14.484 0.960 1.00 0.00 C ATOM 1702 C SER A 116 -37.109 14.653 2.448 1.00 0.00 C ATOM 1703 O SER A 116 -37.945 13.949 3.014 1.00 0.00 O ATOM 1704 CB SER A 116 -38.064 14.514 0.096 1.00 0.00 C ATOM 1705 OG SER A 116 -37.907 15.475 -0.939 1.00 0.00 O ATOM 0 H SER A 116 -36.599 12.468 0.401 1.00 0.00 H new ATOM 0 HA SER A 116 -36.190 15.320 0.610 1.00 0.00 H new ATOM 0 HB2 SER A 116 -38.249 13.529 -0.332 1.00 0.00 H new ATOM 0 HB3 SER A 116 -38.930 14.762 0.710 1.00 0.00 H new ATOM 0 HG SER A 116 -38.715 15.494 -1.493 1.00 0.00 H new ATOM 1711 N GLY A 117 -36.405 15.574 3.091 1.00 0.00 N ATOM 1712 CA GLY A 117 -36.583 16.013 4.458 1.00 0.00 C ATOM 1713 C GLY A 117 -35.448 16.977 4.701 1.00 0.00 C ATOM 1714 O GLY A 117 -34.819 16.902 5.777 1.00 0.00 O ATOM 0 H GLY A 117 -35.639 16.067 2.632 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -37.550 16.497 4.596 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -36.545 15.173 5.152 1.00 0.00 H new TER 1718 GLY A 117