USER MOD reduce.3.24.130724 H: found=0, std=0, add=488, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 490 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 7 ASN : amide:sc= -1.45! C(o=-0.13!,f=-11!) USER MOD Set 1.2: A 14 TYR OH : rot -3:sc= 1.32 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl 173:sc=-0.00383 (180deg=-0.0793) USER MOD Single : A 26 THR OG1 : rot -87:sc= -0.764 USER MOD Single : A 33 GLN :FLIP amide:sc= -0.56 F(o=-2.3!,f=-0.56) USER MOD Single : A 36 CYS SG : rot -10:sc= -5.74! USER MOD Single : A 40 LYS NZ :NH3+ 144:sc= -4.28! (180deg=-6.25!) USER MOD Single : A 41 THR OG1 : rot 50:sc= 1.18 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc= -7.56! C(o=-7.6!,f=-12!) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot -15:sc= -0.229 USER MOD Single : A 59 SER OG : rot 41:sc= 1.79 USER MOD Single : A 61 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.121) USER MOD Single : A 66 LYS NZ :NH3+ 157:sc= 0.506 (180deg=0.144) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 2 -11.506 2.574 -5.298 1.00 0.00 N ATOM 2 CA ASP A 2 -11.012 1.278 -5.763 1.00 0.00 C ATOM 3 C ASP A 2 -9.501 1.346 -5.923 1.00 0.00 C ATOM 4 O ASP A 2 -8.969 1.750 -6.958 1.00 0.00 O ATOM 5 CB ASP A 2 -11.700 0.788 -7.053 1.00 0.00 C ATOM 6 CG ASP A 2 -10.848 -0.178 -7.873 1.00 0.00 C ATOM 7 OD1 ASP A 2 -10.473 -1.244 -7.354 1.00 0.00 O ATOM 8 OD2 ASP A 2 -10.569 0.119 -9.053 1.00 0.00 O ATOM 0 HA ASP A 2 -11.266 0.535 -5.007 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -12.638 0.299 -6.791 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -11.952 1.650 -7.670 1.00 0.00 H new ATOM 13 N LEU A 3 -8.834 0.987 -4.845 1.00 0.00 N ATOM 14 CA LEU A 3 -7.403 0.994 -4.757 1.00 0.00 C ATOM 15 C LEU A 3 -6.906 -0.432 -4.946 1.00 0.00 C ATOM 16 O LEU A 3 -7.566 -1.375 -4.486 1.00 0.00 O ATOM 17 CB LEU A 3 -7.044 1.559 -3.381 1.00 0.00 C ATOM 18 CG LEU A 3 -5.914 0.870 -2.652 1.00 0.00 C ATOM 19 CD1 LEU A 3 -4.577 1.370 -3.153 1.00 0.00 C ATOM 20 CD2 LEU A 3 -6.044 1.090 -1.162 1.00 0.00 C ATOM 0 H LEU A 3 -9.292 0.676 -3.988 1.00 0.00 H new ATOM 0 HA LEU A 3 -6.933 1.610 -5.524 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -6.784 2.611 -3.500 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -7.933 1.519 -2.751 1.00 0.00 H new ATOM 0 HG LEU A 3 -5.971 -0.200 -2.850 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -3.775 0.863 -2.617 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -4.488 1.164 -4.220 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -4.504 2.444 -2.984 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -5.224 0.589 -0.647 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -6.008 2.158 -0.947 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -6.993 0.682 -0.815 1.00 0.00 H new ATOM 32 N THR A 4 -5.777 -0.613 -5.626 1.00 0.00 N ATOM 33 CA THR A 4 -5.352 -1.947 -5.983 1.00 0.00 C ATOM 34 C THR A 4 -4.139 -2.346 -5.200 1.00 0.00 C ATOM 35 O THR A 4 -3.073 -1.782 -5.381 1.00 0.00 O ATOM 36 CB THR A 4 -4.981 -2.027 -7.462 1.00 0.00 C ATOM 37 OG1 THR A 4 -6.056 -1.531 -8.273 1.00 0.00 O ATOM 38 CG2 THR A 4 -4.653 -3.463 -7.857 1.00 0.00 C ATOM 0 H THR A 4 -5.156 0.136 -5.932 1.00 0.00 H new ATOM 0 HA THR A 4 -6.187 -2.612 -5.764 1.00 0.00 H new ATOM 0 HB THR A 4 -4.098 -1.409 -7.626 1.00 0.00 H new ATOM 0 HG1 THR A 4 -5.805 -1.586 -9.219 1.00 0.00 H new ATOM 0 HG21 THR A 4 -4.391 -3.499 -8.914 1.00 0.00 H new ATOM 0 HG22 THR A 4 -3.812 -3.821 -7.263 1.00 0.00 H new ATOM 0 HG23 THR A 4 -5.521 -4.097 -7.676 1.00 0.00 H new ATOM 46 N ILE A 5 -4.251 -3.316 -4.342 1.00 0.00 N ATOM 47 CA ILE A 5 -3.053 -3.797 -3.718 1.00 0.00 C ATOM 48 C ILE A 5 -2.619 -5.080 -4.367 1.00 0.00 C ATOM 49 O ILE A 5 -3.439 -5.891 -4.779 1.00 0.00 O ATOM 50 CB ILE A 5 -3.175 -4.003 -2.209 1.00 0.00 C ATOM 51 CG1 ILE A 5 -3.555 -2.703 -1.538 1.00 0.00 C ATOM 52 CG2 ILE A 5 -1.854 -4.498 -1.649 1.00 0.00 C ATOM 53 CD1 ILE A 5 -5.019 -2.359 -1.641 1.00 0.00 C ATOM 0 H ILE A 5 -5.119 -3.774 -4.066 1.00 0.00 H new ATOM 0 HA ILE A 5 -2.305 -3.017 -3.862 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.950 -4.745 -2.015 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -3.279 -2.757 -0.485 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -2.972 -1.895 -1.980 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -1.947 -4.643 -0.573 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -1.590 -5.444 -2.121 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -1.075 -3.763 -1.850 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -5.207 -1.412 -1.134 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -5.299 -2.270 -2.691 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -5.611 -3.145 -1.173 1.00 0.00 H new ATOM 65 N SER A 6 -1.331 -5.256 -4.471 1.00 0.00 N ATOM 66 CA SER A 6 -0.809 -6.467 -5.024 1.00 0.00 C ATOM 67 C SER A 6 0.276 -6.986 -4.140 1.00 0.00 C ATOM 68 O SER A 6 1.163 -6.252 -3.712 1.00 0.00 O ATOM 69 CB SER A 6 -0.283 -6.250 -6.429 1.00 0.00 C ATOM 70 OG SER A 6 -0.582 -4.940 -6.894 1.00 0.00 O ATOM 0 H SER A 6 -0.628 -4.576 -4.180 1.00 0.00 H new ATOM 0 HA SER A 6 -1.616 -7.198 -5.083 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.796 -6.407 -6.444 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.722 -6.987 -7.102 1.00 0.00 H new ATOM 0 HG SER A 6 -0.230 -4.827 -7.802 1.00 0.00 H new ATOM 76 N ASN A 7 0.187 -8.246 -3.865 1.00 0.00 N ATOM 77 CA ASN A 7 1.175 -8.899 -3.052 1.00 0.00 C ATOM 78 C ASN A 7 2.297 -9.317 -3.955 1.00 0.00 C ATOM 79 O ASN A 7 2.244 -10.369 -4.572 1.00 0.00 O ATOM 80 CB ASN A 7 0.594 -10.103 -2.324 1.00 0.00 C ATOM 81 CG ASN A 7 1.511 -10.594 -1.227 1.00 0.00 C ATOM 82 OD1 ASN A 7 2.728 -10.660 -1.398 1.00 0.00 O ATOM 83 ND2 ASN A 7 0.935 -10.902 -0.083 1.00 0.00 N ATOM 0 H ASN A 7 -0.565 -8.853 -4.192 1.00 0.00 H new ATOM 0 HA ASN A 7 1.533 -8.214 -2.284 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -0.373 -9.837 -1.897 1.00 0.00 H new ATOM 0 HB3 ASN A 7 0.417 -10.908 -3.037 1.00 0.00 H new ATOM 0 HD21 ASN A 7 1.502 -11.210 0.707 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -0.078 -10.832 0.013 1.00 0.00 H new ATOM 90 N GLU A 8 3.305 -8.484 -4.032 1.00 0.00 N ATOM 91 CA GLU A 8 4.365 -8.681 -5.040 1.00 0.00 C ATOM 92 C GLU A 8 5.218 -9.904 -4.739 1.00 0.00 C ATOM 93 O GLU A 8 6.060 -10.306 -5.541 1.00 0.00 O ATOM 94 CB GLU A 8 5.255 -7.453 -5.190 1.00 0.00 C ATOM 95 CG GLU A 8 4.700 -6.425 -6.151 1.00 0.00 C ATOM 96 CD GLU A 8 4.512 -6.986 -7.547 1.00 0.00 C ATOM 97 OE1 GLU A 8 5.502 -7.070 -8.299 1.00 0.00 O ATOM 98 OE2 GLU A 8 3.373 -7.355 -7.894 1.00 0.00 O ATOM 0 H GLU A 8 3.431 -7.671 -3.429 1.00 0.00 H new ATOM 0 HA GLU A 8 3.849 -8.845 -5.986 1.00 0.00 H new ATOM 0 HB2 GLU A 8 5.391 -6.990 -4.213 1.00 0.00 H new ATOM 0 HB3 GLU A 8 6.240 -7.767 -5.534 1.00 0.00 H new ATOM 0 HG2 GLU A 8 3.744 -6.060 -5.777 1.00 0.00 H new ATOM 0 HG3 GLU A 8 5.374 -5.569 -6.193 1.00 0.00 H new ATOM 105 N LEU A 9 4.996 -10.478 -3.580 1.00 0.00 N ATOM 106 CA LEU A 9 5.730 -11.640 -3.140 1.00 0.00 C ATOM 107 C LEU A 9 4.941 -12.911 -3.399 1.00 0.00 C ATOM 108 O LEU A 9 5.477 -13.906 -3.886 1.00 0.00 O ATOM 109 CB LEU A 9 5.975 -11.502 -1.655 1.00 0.00 C ATOM 110 CG LEU A 9 6.953 -10.409 -1.254 1.00 0.00 C ATOM 111 CD1 LEU A 9 6.724 -10.056 0.190 1.00 0.00 C ATOM 112 CD2 LEU A 9 8.395 -10.856 -1.487 1.00 0.00 C ATOM 0 H LEU A 9 4.298 -10.150 -2.913 1.00 0.00 H new ATOM 0 HA LEU A 9 6.669 -11.704 -3.690 1.00 0.00 H new ATOM 0 HB2 LEU A 9 5.021 -11.311 -1.163 1.00 0.00 H new ATOM 0 HB3 LEU A 9 6.345 -12.454 -1.275 1.00 0.00 H new ATOM 0 HG LEU A 9 6.784 -9.527 -1.872 1.00 0.00 H new ATOM 0 HD11 LEU A 9 7.421 -9.273 0.488 1.00 0.00 H new ATOM 0 HD12 LEU A 9 5.702 -9.701 0.320 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.883 -10.938 0.810 1.00 0.00 H new ATOM 0 HD21 LEU A 9 9.076 -10.057 -1.193 1.00 0.00 H new ATOM 0 HD22 LEU A 9 8.601 -11.746 -0.892 1.00 0.00 H new ATOM 0 HD23 LEU A 9 8.539 -11.085 -2.543 1.00 0.00 H new ATOM 124 N THR A 10 3.665 -12.874 -3.058 1.00 0.00 N ATOM 125 CA THR A 10 2.837 -14.013 -3.099 1.00 0.00 C ATOM 126 C THR A 10 2.029 -14.044 -4.393 1.00 0.00 C ATOM 127 O THR A 10 1.519 -15.081 -4.820 1.00 0.00 O ATOM 128 CB THR A 10 1.972 -13.969 -1.842 1.00 0.00 C ATOM 129 OG1 THR A 10 2.658 -14.578 -0.738 1.00 0.00 O ATOM 130 CG2 THR A 10 0.688 -14.634 -2.097 1.00 0.00 C ATOM 0 H THR A 10 3.191 -12.028 -2.743 1.00 0.00 H new ATOM 0 HA THR A 10 3.413 -14.938 -3.104 1.00 0.00 H new ATOM 0 HB THR A 10 1.777 -12.929 -1.580 1.00 0.00 H new ATOM 0 HG1 THR A 10 2.091 -14.540 0.060 1.00 0.00 H new ATOM 0 HG21 THR A 10 0.075 -14.599 -1.196 1.00 0.00 H new ATOM 0 HG22 THR A 10 0.169 -14.124 -2.909 1.00 0.00 H new ATOM 0 HG23 THR A 10 0.865 -15.673 -2.375 1.00 0.00 H new ATOM 138 N GLY A 11 1.963 -12.896 -5.027 1.00 0.00 N ATOM 139 CA GLY A 11 1.361 -12.797 -6.345 1.00 0.00 C ATOM 140 C GLY A 11 -0.138 -12.603 -6.292 1.00 0.00 C ATOM 141 O GLY A 11 -0.829 -12.748 -7.299 1.00 0.00 O ATOM 0 H GLY A 11 2.318 -12.015 -4.655 1.00 0.00 H new ATOM 0 HA2 GLY A 11 1.812 -11.963 -6.884 1.00 0.00 H new ATOM 0 HA3 GLY A 11 1.586 -13.701 -6.911 1.00 0.00 H new ATOM 145 N GLU A 12 -0.636 -12.281 -5.112 1.00 0.00 N ATOM 146 CA GLU A 12 -2.029 -12.044 -4.933 1.00 0.00 C ATOM 147 C GLU A 12 -2.361 -10.672 -5.373 1.00 0.00 C ATOM 148 O GLU A 12 -1.527 -9.771 -5.404 1.00 0.00 O ATOM 149 CB GLU A 12 -2.472 -12.166 -3.493 1.00 0.00 C ATOM 150 CG GLU A 12 -2.165 -13.503 -2.868 1.00 0.00 C ATOM 151 CD GLU A 12 -2.867 -13.701 -1.546 1.00 0.00 C ATOM 152 OE1 GLU A 12 -2.377 -13.181 -0.527 1.00 0.00 O ATOM 153 OE2 GLU A 12 -3.912 -14.376 -1.523 1.00 0.00 O ATOM 0 H GLU A 12 -0.077 -12.181 -4.264 1.00 0.00 H new ATOM 0 HA GLU A 12 -2.542 -12.803 -5.523 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -1.989 -11.383 -2.908 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -3.546 -11.989 -3.438 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -2.460 -14.297 -3.554 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -1.089 -13.592 -2.721 1.00 0.00 H new ATOM 160 N ILE A 13 -3.609 -10.533 -5.611 1.00 0.00 N ATOM 161 CA ILE A 13 -4.183 -9.304 -6.083 1.00 0.00 C ATOM 162 C ILE A 13 -5.389 -8.974 -5.243 1.00 0.00 C ATOM 163 O ILE A 13 -6.392 -9.684 -5.240 1.00 0.00 O ATOM 164 CB ILE A 13 -4.577 -9.345 -7.573 1.00 0.00 C ATOM 165 CG1 ILE A 13 -3.367 -9.711 -8.436 1.00 0.00 C ATOM 166 CG2 ILE A 13 -5.123 -7.993 -7.991 1.00 0.00 C ATOM 167 CD1 ILE A 13 -2.142 -8.884 -8.113 1.00 0.00 C ATOM 0 H ILE A 13 -4.289 -11.282 -5.484 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.419 -8.532 -5.990 1.00 0.00 H new ATOM 0 HB ILE A 13 -5.345 -10.105 -7.715 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -3.134 -10.767 -8.297 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -3.623 -9.577 -9.487 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -5.401 -8.023 -9.044 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -6.001 -7.754 -7.391 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -4.360 -7.230 -7.839 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.317 -9.189 -8.757 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -2.361 -7.829 -8.279 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -1.864 -9.037 -7.070 1.00 0.00 H new ATOM 179 N TYR A 14 -5.253 -7.909 -4.513 1.00 0.00 N ATOM 180 CA TYR A 14 -6.256 -7.478 -3.570 1.00 0.00 C ATOM 181 C TYR A 14 -7.141 -6.440 -4.211 1.00 0.00 C ATOM 182 O TYR A 14 -6.663 -5.545 -4.924 1.00 0.00 O ATOM 183 CB TYR A 14 -5.519 -6.965 -2.364 1.00 0.00 C ATOM 184 CG TYR A 14 -4.650 -7.985 -1.840 1.00 0.00 C ATOM 185 CD1 TYR A 14 -5.055 -9.291 -1.592 1.00 0.00 C ATOM 186 CD2 TYR A 14 -3.414 -7.630 -1.619 1.00 0.00 C ATOM 187 CE1 TYR A 14 -4.149 -10.206 -1.114 1.00 0.00 C ATOM 188 CE2 TYR A 14 -2.533 -8.475 -1.178 1.00 0.00 C ATOM 189 CZ TYR A 14 -2.862 -9.783 -0.902 1.00 0.00 C ATOM 190 OH TYR A 14 -1.907 -10.649 -0.422 1.00 0.00 O ATOM 0 H TYR A 14 -4.434 -7.303 -4.551 1.00 0.00 H new ATOM 0 HA TYR A 14 -6.918 -8.288 -3.263 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -4.936 -6.084 -2.633 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -6.231 -6.655 -1.599 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -6.078 -9.585 -1.774 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -3.117 -6.609 -1.807 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -4.441 -11.226 -0.912 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -1.517 -8.144 -1.024 1.00 0.00 H new ATOM 0 HH TYR A 14 -2.317 -11.520 -0.240 1.00 0.00 H new ATOM 200 N GLY A 15 -8.406 -6.508 -3.861 1.00 0.00 N ATOM 201 CA GLY A 15 -9.443 -6.013 -4.721 1.00 0.00 C ATOM 202 C GLY A 15 -9.865 -4.616 -4.407 1.00 0.00 C ATOM 203 O GLY A 15 -9.272 -3.966 -3.546 1.00 0.00 O ATOM 0 H GLY A 15 -8.737 -6.904 -2.981 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -9.098 -6.056 -5.754 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -10.309 -6.670 -4.647 1.00 0.00 H new ATOM 207 N PRO A 16 -10.898 -4.135 -5.110 1.00 0.00 N ATOM 208 CA PRO A 16 -11.308 -2.737 -5.090 1.00 0.00 C ATOM 209 C PRO A 16 -11.590 -2.251 -3.695 1.00 0.00 C ATOM 210 O PRO A 16 -12.672 -2.452 -3.131 1.00 0.00 O ATOM 211 CB PRO A 16 -12.603 -2.732 -5.885 1.00 0.00 C ATOM 212 CG PRO A 16 -13.066 -4.127 -5.751 1.00 0.00 C ATOM 213 CD PRO A 16 -11.820 -4.928 -5.925 1.00 0.00 C ATOM 0 HA PRO A 16 -10.530 -2.087 -5.491 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -13.326 -2.024 -5.479 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -12.438 -2.457 -6.927 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -13.525 -4.306 -4.779 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -13.812 -4.376 -6.506 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -11.926 -5.950 -5.561 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -11.507 -4.992 -6.967 1.00 0.00 H new ATOM 221 N ILE A 17 -10.607 -1.618 -3.151 1.00 0.00 N ATOM 222 CA ILE A 17 -10.743 -1.006 -1.873 1.00 0.00 C ATOM 223 C ILE A 17 -11.225 0.406 -2.023 1.00 0.00 C ATOM 224 O ILE A 17 -10.664 1.204 -2.765 1.00 0.00 O ATOM 225 CB ILE A 17 -9.440 -1.056 -1.081 1.00 0.00 C ATOM 226 CG1 ILE A 17 -9.296 -2.463 -0.512 1.00 0.00 C ATOM 227 CG2 ILE A 17 -9.423 0.009 0.012 1.00 0.00 C ATOM 228 CD1 ILE A 17 -8.135 -2.619 0.433 1.00 0.00 C ATOM 0 H ILE A 17 -9.687 -1.510 -3.579 1.00 0.00 H new ATOM 0 HA ILE A 17 -11.484 -1.571 -1.308 1.00 0.00 H new ATOM 0 HB ILE A 17 -8.591 -0.838 -1.728 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -10.215 -2.730 0.009 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -9.180 -3.168 -1.335 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -8.483 -0.048 0.561 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -9.519 0.996 -0.440 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -10.254 -0.159 0.697 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -8.097 -3.646 0.797 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -7.207 -2.384 -0.089 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -8.259 -1.940 1.277 1.00 0.00 H new ATOM 240 N GLU A 18 -12.282 0.697 -1.328 1.00 0.00 N ATOM 241 CA GLU A 18 -12.851 2.017 -1.385 1.00 0.00 C ATOM 242 C GLU A 18 -12.041 2.920 -0.489 1.00 0.00 C ATOM 243 O GLU A 18 -12.104 2.806 0.735 1.00 0.00 O ATOM 244 CB GLU A 18 -14.316 2.010 -0.943 1.00 0.00 C ATOM 245 CG GLU A 18 -14.988 3.369 -1.071 1.00 0.00 C ATOM 246 CD GLU A 18 -16.386 3.394 -0.490 1.00 0.00 C ATOM 247 OE1 GLU A 18 -17.230 2.585 -0.922 1.00 0.00 O ATOM 248 OE2 GLU A 18 -16.649 4.242 0.391 1.00 0.00 O ATOM 0 H GLU A 18 -12.770 0.044 -0.715 1.00 0.00 H new ATOM 0 HA GLU A 18 -12.823 2.377 -2.413 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -14.865 1.283 -1.541 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -14.374 1.680 0.094 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -14.378 4.119 -0.568 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -15.033 3.649 -2.124 1.00 0.00 H new ATOM 255 N VAL A 19 -11.264 3.807 -1.083 1.00 0.00 N ATOM 256 CA VAL A 19 -10.512 4.728 -0.278 1.00 0.00 C ATOM 257 C VAL A 19 -11.142 6.088 -0.287 1.00 0.00 C ATOM 258 O VAL A 19 -11.550 6.622 -1.319 1.00 0.00 O ATOM 259 CB VAL A 19 -9.035 4.855 -0.702 1.00 0.00 C ATOM 260 CG1 VAL A 19 -8.439 3.501 -0.939 1.00 0.00 C ATOM 261 CG2 VAL A 19 -8.834 5.743 -1.915 1.00 0.00 C ATOM 0 H VAL A 19 -11.144 3.903 -2.091 1.00 0.00 H new ATOM 0 HA VAL A 19 -10.529 4.311 0.729 1.00 0.00 H new ATOM 0 HB VAL A 19 -8.517 5.340 0.125 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -7.396 3.610 -1.237 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -8.495 2.913 -0.023 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -8.992 2.994 -1.730 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -7.773 5.789 -2.160 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -9.384 5.333 -2.762 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -9.200 6.746 -1.696 1.00 0.00 H new ATOM 271 N SER A 20 -11.289 6.590 0.902 1.00 0.00 N ATOM 272 CA SER A 20 -11.707 7.948 1.113 1.00 0.00 C ATOM 273 C SER A 20 -10.477 8.725 1.508 1.00 0.00 C ATOM 274 O SER A 20 -9.648 8.220 2.249 1.00 0.00 O ATOM 275 CB SER A 20 -12.768 8.002 2.218 1.00 0.00 C ATOM 276 OG SER A 20 -13.265 9.318 2.402 1.00 0.00 O ATOM 0 H SER A 20 -11.122 6.067 1.761 1.00 0.00 H new ATOM 0 HA SER A 20 -12.153 8.373 0.214 1.00 0.00 H new ATOM 0 HB2 SER A 20 -13.591 7.334 1.965 1.00 0.00 H new ATOM 0 HB3 SER A 20 -12.339 7.641 3.153 1.00 0.00 H new ATOM 0 HG SER A 20 -13.940 9.316 3.112 1.00 0.00 H new ATOM 282 N GLU A 21 -10.363 9.947 1.030 1.00 0.00 N ATOM 283 CA GLU A 21 -9.142 10.713 1.215 1.00 0.00 C ATOM 284 C GLU A 21 -8.975 11.077 2.680 1.00 0.00 C ATOM 285 O GLU A 21 -7.887 11.434 3.136 1.00 0.00 O ATOM 286 CB GLU A 21 -9.187 11.964 0.351 1.00 0.00 C ATOM 287 CG GLU A 21 -10.134 13.037 0.861 1.00 0.00 C ATOM 288 CD GLU A 21 -10.106 14.283 0.008 1.00 0.00 C ATOM 289 OE1 GLU A 21 -10.864 14.350 -0.982 1.00 0.00 O ATOM 290 OE2 GLU A 21 -9.329 15.206 0.325 1.00 0.00 O ATOM 0 H GLU A 21 -11.096 10.432 0.512 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.286 10.110 0.912 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -8.183 12.383 0.284 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.483 11.684 -0.660 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -11.149 12.640 0.886 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.868 13.296 1.886 1.00 0.00 H new ATOM 297 N ASP A 22 -10.078 10.997 3.397 1.00 0.00 N ATOM 298 CA ASP A 22 -10.101 11.283 4.819 1.00 0.00 C ATOM 299 C ASP A 22 -9.903 10.022 5.664 1.00 0.00 C ATOM 300 O ASP A 22 -10.137 10.046 6.876 1.00 0.00 O ATOM 301 CB ASP A 22 -11.418 11.965 5.189 1.00 0.00 C ATOM 302 CG ASP A 22 -11.719 13.154 4.298 1.00 0.00 C ATOM 303 OD1 ASP A 22 -11.056 14.203 4.452 1.00 0.00 O ATOM 304 OD2 ASP A 22 -12.613 13.040 3.429 1.00 0.00 O ATOM 0 H ASP A 22 -10.984 10.732 3.011 1.00 0.00 H new ATOM 0 HA ASP A 22 -9.268 11.951 5.036 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -12.232 11.243 5.116 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -11.376 12.293 6.228 1.00 0.00 H new ATOM 309 N MET A 23 -9.490 8.912 5.043 1.00 0.00 N ATOM 310 CA MET A 23 -9.086 7.757 5.770 1.00 0.00 C ATOM 311 C MET A 23 -7.683 8.007 6.257 1.00 0.00 C ATOM 312 O MET A 23 -7.037 8.988 5.881 1.00 0.00 O ATOM 313 CB MET A 23 -9.104 6.548 4.833 1.00 0.00 C ATOM 314 CG MET A 23 -9.242 5.223 5.520 1.00 0.00 C ATOM 315 SD MET A 23 -9.658 3.900 4.365 1.00 0.00 S ATOM 316 CE MET A 23 -9.661 2.476 5.447 1.00 0.00 C ATOM 0 H MET A 23 -9.435 8.813 4.029 1.00 0.00 H new ATOM 0 HA MET A 23 -9.753 7.561 6.609 1.00 0.00 H new ATOM 0 HB2 MET A 23 -9.928 6.664 4.129 1.00 0.00 H new ATOM 0 HB3 MET A 23 -8.184 6.545 4.249 1.00 0.00 H new ATOM 0 HG2 MET A 23 -8.309 4.980 6.028 1.00 0.00 H new ATOM 0 HG3 MET A 23 -10.014 5.291 6.286 1.00 0.00 H new ATOM 0 HE1 MET A 23 -10.023 1.605 4.901 1.00 0.00 H new ATOM 0 HE2 MET A 23 -8.648 2.287 5.802 1.00 0.00 H new ATOM 0 HE3 MET A 23 -10.314 2.667 6.298 1.00 0.00 H new ATOM 326 N ALA A 24 -7.210 7.128 7.070 1.00 0.00 N ATOM 327 CA ALA A 24 -5.841 7.181 7.487 1.00 0.00 C ATOM 328 C ALA A 24 -5.063 6.232 6.611 1.00 0.00 C ATOM 329 O ALA A 24 -5.441 5.072 6.463 1.00 0.00 O ATOM 330 CB ALA A 24 -5.710 6.813 8.958 1.00 0.00 C ATOM 0 H ALA A 24 -7.749 6.357 7.465 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.447 8.192 7.382 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.662 6.860 9.253 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -6.288 7.513 9.561 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -6.086 5.802 9.115 1.00 0.00 H new ATOM 336 N LEU A 25 -4.000 6.732 5.993 1.00 0.00 N ATOM 337 CA LEU A 25 -3.151 5.908 5.170 1.00 0.00 C ATOM 338 C LEU A 25 -2.640 4.757 6.012 1.00 0.00 C ATOM 339 O LEU A 25 -2.375 3.671 5.518 1.00 0.00 O ATOM 340 CB LEU A 25 -1.986 6.728 4.637 1.00 0.00 C ATOM 341 CG LEU A 25 -1.032 7.239 5.713 1.00 0.00 C ATOM 342 CD1 LEU A 25 0.277 7.645 5.102 1.00 0.00 C ATOM 343 CD2 LEU A 25 -1.627 8.400 6.495 1.00 0.00 C ATOM 0 H LEU A 25 -3.712 7.709 6.052 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.714 5.524 4.320 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.423 6.120 3.928 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.380 7.580 4.083 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.863 6.421 6.413 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.946 8.007 5.883 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.729 6.786 4.606 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.108 8.437 4.373 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.915 8.733 7.250 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.845 9.223 5.815 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.548 8.077 6.981 1.00 0.00 H new ATOM 355 N THR A 26 -2.514 5.032 7.302 1.00 0.00 N ATOM 356 CA THR A 26 -2.170 4.045 8.279 1.00 0.00 C ATOM 357 C THR A 26 -3.207 2.934 8.375 1.00 0.00 C ATOM 358 O THR A 26 -2.859 1.769 8.362 1.00 0.00 O ATOM 359 CB THR A 26 -2.066 4.708 9.640 1.00 0.00 C ATOM 360 OG1 THR A 26 -2.609 6.036 9.565 1.00 0.00 O ATOM 361 CG2 THR A 26 -0.625 4.761 10.117 1.00 0.00 C ATOM 0 H THR A 26 -2.653 5.965 7.691 1.00 0.00 H new ATOM 0 HA THR A 26 -1.222 3.604 7.971 1.00 0.00 H new ATOM 0 HB THR A 26 -2.634 4.117 10.358 1.00 0.00 H new ATOM 0 HG1 THR A 26 -1.909 6.660 9.279 1.00 0.00 H new ATOM 0 HG21 THR A 26 -0.583 5.241 11.095 1.00 0.00 H new ATOM 0 HG22 THR A 26 -0.229 3.748 10.193 1.00 0.00 H new ATOM 0 HG23 THR A 26 -0.027 5.332 9.406 1.00 0.00 H new ATOM 369 N ASP A 27 -4.473 3.319 8.518 1.00 0.00 N ATOM 370 CA ASP A 27 -5.579 2.364 8.574 1.00 0.00 C ATOM 371 C ASP A 27 -5.631 1.558 7.289 1.00 0.00 C ATOM 372 O ASP A 27 -6.134 0.438 7.249 1.00 0.00 O ATOM 373 CB ASP A 27 -6.903 3.095 8.800 1.00 0.00 C ATOM 374 CG ASP A 27 -8.024 2.161 9.212 1.00 0.00 C ATOM 375 OD1 ASP A 27 -8.038 1.725 10.382 1.00 0.00 O ATOM 376 OD2 ASP A 27 -8.915 1.886 8.384 1.00 0.00 O ATOM 0 H ASP A 27 -4.761 4.294 8.598 1.00 0.00 H new ATOM 0 HA ASP A 27 -5.416 1.684 9.410 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -6.767 3.855 9.570 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -7.187 3.615 7.885 1.00 0.00 H new ATOM 381 N LEU A 28 -5.079 2.138 6.245 1.00 0.00 N ATOM 382 CA LEU A 28 -4.971 1.477 4.973 1.00 0.00 C ATOM 383 C LEU A 28 -3.883 0.405 5.050 1.00 0.00 C ATOM 384 O LEU A 28 -4.113 -0.762 4.744 1.00 0.00 O ATOM 385 CB LEU A 28 -4.636 2.522 3.920 1.00 0.00 C ATOM 386 CG LEU A 28 -5.392 2.381 2.615 1.00 0.00 C ATOM 387 CD1 LEU A 28 -5.426 0.929 2.197 1.00 0.00 C ATOM 388 CD2 LEU A 28 -6.795 2.938 2.751 1.00 0.00 C ATOM 0 H LEU A 28 -4.694 3.082 6.260 1.00 0.00 H new ATOM 0 HA LEU A 28 -5.909 0.989 4.707 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.837 3.510 4.334 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -3.567 2.475 3.710 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.878 2.953 1.843 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.971 0.833 1.258 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.407 0.565 2.064 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.924 0.340 2.967 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.323 2.828 1.804 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -7.329 2.393 3.530 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.743 3.994 3.017 1.00 0.00 H new ATOM 400 N ILE A 29 -2.699 0.831 5.480 1.00 0.00 N ATOM 401 CA ILE A 29 -1.608 -0.046 5.850 1.00 0.00 C ATOM 402 C ILE A 29 -2.064 -1.120 6.845 1.00 0.00 C ATOM 403 O ILE A 29 -1.552 -2.233 6.847 1.00 0.00 O ATOM 404 CB ILE A 29 -0.496 0.797 6.514 1.00 0.00 C ATOM 405 CG1 ILE A 29 0.015 1.910 5.591 1.00 0.00 C ATOM 406 CG2 ILE A 29 0.631 -0.076 6.965 1.00 0.00 C ATOM 407 CD1 ILE A 29 0.094 1.523 4.139 1.00 0.00 C ATOM 0 H ILE A 29 -2.473 1.820 5.581 1.00 0.00 H new ATOM 0 HA ILE A 29 -1.245 -0.540 4.949 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.935 1.280 7.387 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -0.639 2.776 5.689 1.00 0.00 H new ATOM 0 HG13 ILE A 29 1.005 2.219 5.927 1.00 0.00 H new ATOM 0 HG21 ILE A 29 1.403 0.537 7.430 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.261 -0.803 7.688 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.052 -0.600 6.107 1.00 0.00 H new ATOM 0 HD11 ILE A 29 0.464 2.367 3.557 1.00 0.00 H new ATOM 0 HD12 ILE A 29 0.772 0.678 4.024 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.897 1.244 3.782 1.00 0.00 H new ATOM 419 N ALA A 30 -3.010 -0.767 7.695 1.00 0.00 N ATOM 420 CA ALA A 30 -3.586 -1.691 8.654 1.00 0.00 C ATOM 421 C ALA A 30 -4.209 -2.889 7.938 1.00 0.00 C ATOM 422 O ALA A 30 -3.875 -4.036 8.224 1.00 0.00 O ATOM 423 CB ALA A 30 -4.613 -0.960 9.514 1.00 0.00 C ATOM 0 H ALA A 30 -3.402 0.173 7.740 1.00 0.00 H new ATOM 0 HA ALA A 30 -2.800 -2.073 9.305 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -5.045 -1.655 10.234 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -4.126 -0.142 10.046 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -5.402 -0.560 8.877 1.00 0.00 H new ATOM 429 N LEU A 31 -5.073 -2.601 6.967 1.00 0.00 N ATOM 430 CA LEU A 31 -5.729 -3.635 6.161 1.00 0.00 C ATOM 431 C LEU A 31 -4.717 -4.306 5.281 1.00 0.00 C ATOM 432 O LEU A 31 -4.832 -5.474 4.936 1.00 0.00 O ATOM 433 CB LEU A 31 -6.807 -3.031 5.284 1.00 0.00 C ATOM 434 CG LEU A 31 -7.595 -1.979 5.999 1.00 0.00 C ATOM 435 CD1 LEU A 31 -8.276 -1.044 5.008 1.00 0.00 C ATOM 436 CD2 LEU A 31 -8.613 -2.603 6.943 1.00 0.00 C ATOM 0 H LEU A 31 -5.339 -1.649 6.715 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.182 -4.358 6.839 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.349 -2.598 4.395 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.480 -3.818 4.944 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.900 -1.390 6.598 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -8.843 -0.288 5.551 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -7.522 -0.557 4.390 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -8.952 -1.617 4.373 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -9.171 -1.815 7.449 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -9.302 -3.227 6.374 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -8.096 -3.214 7.683 1.00 0.00 H new ATOM 448 N LEU A 32 -3.741 -3.528 4.898 1.00 0.00 N ATOM 449 CA LEU A 32 -2.679 -3.966 4.085 1.00 0.00 C ATOM 450 C LEU A 32 -1.883 -5.061 4.807 1.00 0.00 C ATOM 451 O LEU A 32 -1.576 -6.099 4.236 1.00 0.00 O ATOM 452 CB LEU A 32 -1.887 -2.710 3.826 1.00 0.00 C ATOM 453 CG LEU A 32 -0.860 -2.763 2.753 1.00 0.00 C ATOM 454 CD1 LEU A 32 -1.430 -3.200 1.429 1.00 0.00 C ATOM 455 CD2 LEU A 32 -0.226 -1.430 2.645 1.00 0.00 C ATOM 0 H LEU A 32 -3.677 -2.544 5.160 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.989 -4.427 3.147 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.589 -1.912 3.583 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.391 -2.426 4.754 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.116 -3.513 3.020 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.637 -3.221 0.681 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.861 -4.196 1.529 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.204 -2.499 1.117 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.531 -1.450 1.861 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.983 -0.686 2.399 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.241 -1.171 3.595 1.00 0.00 H new ATOM 467 N GLN A 33 -1.583 -4.853 6.078 1.00 0.00 N ATOM 468 CA GLN A 33 -0.884 -5.818 6.865 1.00 0.00 C ATOM 469 C GLN A 33 -1.797 -6.977 7.221 1.00 0.00 C ATOM 470 O GLN A 33 -1.413 -8.144 7.166 1.00 0.00 O ATOM 471 CB GLN A 33 -0.392 -5.110 8.103 1.00 0.00 C ATOM 472 CG GLN A 33 0.710 -4.136 7.779 1.00 0.00 C ATOM 473 CD GLN A 33 1.307 -3.458 8.993 1.00 0.00 C ATOM 474 OE1 GLN A 33 0.747 -2.322 9.370 1.00 0.00 O flip ATOM 475 NE2 GLN A 33 2.270 -3.946 9.580 1.00 0.00 N flip ATOM 0 H GLN A 33 -1.825 -4.000 6.583 1.00 0.00 H new ATOM 0 HA GLN A 33 -0.044 -6.237 6.311 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -1.220 -4.581 8.574 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -0.031 -5.843 8.824 1.00 0.00 H new ATOM 0 HG2 GLN A 33 1.500 -4.662 7.244 1.00 0.00 H new ATOM 0 HG3 GLN A 33 0.321 -3.374 7.104 1.00 0.00 H new ATOM 0 HE21 GLN A 33 2.673 -4.825 9.256 1.00 0.00 H new ATOM 0 HE22 GLN A 33 2.667 -3.472 10.391 1.00 0.00 H new ATOM 484 N ALA A 34 -3.013 -6.609 7.570 1.00 0.00 N ATOM 485 CA ALA A 34 -4.049 -7.529 7.977 1.00 0.00 C ATOM 486 C ALA A 34 -4.393 -8.555 6.891 1.00 0.00 C ATOM 487 O ALA A 34 -4.323 -9.764 7.119 1.00 0.00 O ATOM 488 CB ALA A 34 -5.276 -6.710 8.336 1.00 0.00 C ATOM 0 H ALA A 34 -3.313 -5.634 7.578 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.692 -8.104 8.831 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -6.080 -7.377 8.649 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -5.033 -6.028 9.151 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -5.598 -6.137 7.467 1.00 0.00 H new ATOM 494 N ASP A 35 -4.744 -8.061 5.715 1.00 0.00 N ATOM 495 CA ASP A 35 -5.260 -8.900 4.634 1.00 0.00 C ATOM 496 C ASP A 35 -4.209 -9.129 3.550 1.00 0.00 C ATOM 497 O ASP A 35 -4.065 -10.242 3.042 1.00 0.00 O ATOM 498 CB ASP A 35 -6.502 -8.241 4.024 1.00 0.00 C ATOM 499 CG ASP A 35 -7.224 -9.124 3.019 1.00 0.00 C ATOM 500 OD1 ASP A 35 -8.105 -9.909 3.439 1.00 0.00 O ATOM 501 OD2 ASP A 35 -6.946 -9.015 1.809 1.00 0.00 O ATOM 0 H ASP A 35 -4.681 -7.071 5.478 1.00 0.00 H new ATOM 0 HA ASP A 35 -5.522 -9.871 5.053 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -7.193 -7.975 4.824 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -6.208 -7.312 3.535 1.00 0.00 H new ATOM 506 N CYS A 36 -3.458 -8.085 3.209 1.00 0.00 N ATOM 507 CA CYS A 36 -2.479 -8.187 2.140 1.00 0.00 C ATOM 508 C CYS A 36 -1.214 -8.880 2.624 1.00 0.00 C ATOM 509 O CYS A 36 -0.415 -9.375 1.830 1.00 0.00 O ATOM 510 CB CYS A 36 -2.146 -6.797 1.594 1.00 0.00 C ATOM 511 SG CYS A 36 -0.656 -6.732 0.575 1.00 0.00 S ATOM 0 H CYS A 36 -3.510 -7.169 3.655 1.00 0.00 H new ATOM 0 HA CYS A 36 -2.910 -8.788 1.339 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -2.990 -6.440 1.004 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -2.029 -6.110 2.432 1.00 0.00 H new ATOM 0 HG CYS A 36 -0.014 -7.858 0.672 1.00 0.00 H new ATOM 517 N GLY A 37 -1.026 -8.907 3.930 1.00 0.00 N ATOM 518 CA GLY A 37 0.140 -9.557 4.483 1.00 0.00 C ATOM 519 C GLY A 37 1.316 -8.616 4.551 1.00 0.00 C ATOM 520 O GLY A 37 2.456 -9.039 4.749 1.00 0.00 O ATOM 0 H GLY A 37 -1.657 -8.492 4.616 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -0.088 -9.928 5.482 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.400 -10.422 3.873 1.00 0.00 H new ATOM 524 N PHE A 38 1.034 -7.334 4.342 1.00 0.00 N ATOM 525 CA PHE A 38 1.996 -6.279 4.499 1.00 0.00 C ATOM 526 C PHE A 38 2.750 -6.392 5.808 1.00 0.00 C ATOM 527 O PHE A 38 2.194 -6.735 6.850 1.00 0.00 O ATOM 528 CB PHE A 38 1.260 -4.958 4.450 1.00 0.00 C ATOM 529 CG PHE A 38 2.128 -3.776 4.268 1.00 0.00 C ATOM 530 CD1 PHE A 38 3.281 -3.947 3.634 1.00 0.00 C ATOM 531 CD2 PHE A 38 1.820 -2.534 4.761 1.00 0.00 C ATOM 532 CE1 PHE A 38 4.151 -2.971 3.427 1.00 0.00 C ATOM 533 CE2 PHE A 38 2.700 -1.500 4.551 1.00 0.00 C ATOM 534 CZ PHE A 38 3.876 -1.750 3.866 1.00 0.00 C ATOM 0 H PHE A 38 0.112 -7.007 4.054 1.00 0.00 H new ATOM 0 HA PHE A 38 2.729 -6.350 3.695 1.00 0.00 H new ATOM 0 HB2 PHE A 38 0.537 -4.990 3.635 1.00 0.00 H new ATOM 0 HB3 PHE A 38 0.694 -4.838 5.374 1.00 0.00 H new ATOM 0 HD1 PHE A 38 3.522 -4.934 3.268 1.00 0.00 H new ATOM 0 HD2 PHE A 38 0.901 -2.371 5.305 1.00 0.00 H new ATOM 0 HE1 PHE A 38 5.076 -3.167 2.905 1.00 0.00 H new ATOM 0 HE2 PHE A 38 2.477 -0.508 4.915 1.00 0.00 H new ATOM 0 HZ PHE A 38 4.574 -0.946 3.688 1.00 0.00 H new ATOM 544 N ASP A 39 4.022 -6.117 5.717 1.00 0.00 N ATOM 545 CA ASP A 39 4.900 -6.119 6.839 1.00 0.00 C ATOM 546 C ASP A 39 6.034 -5.184 6.528 1.00 0.00 C ATOM 547 O ASP A 39 7.006 -5.569 5.903 1.00 0.00 O ATOM 548 CB ASP A 39 5.453 -7.500 7.119 1.00 0.00 C ATOM 549 CG ASP A 39 6.244 -7.539 8.406 1.00 0.00 C ATOM 550 OD1 ASP A 39 5.632 -7.683 9.485 1.00 0.00 O ATOM 551 OD2 ASP A 39 7.482 -7.415 8.341 1.00 0.00 O ATOM 0 H ASP A 39 4.481 -5.881 4.837 1.00 0.00 H new ATOM 0 HA ASP A 39 4.349 -5.803 7.725 1.00 0.00 H new ATOM 0 HB2 ASP A 39 4.632 -8.215 7.175 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.091 -7.811 6.291 1.00 0.00 H new ATOM 556 N LYS A 40 5.896 -3.967 6.956 1.00 0.00 N ATOM 557 CA LYS A 40 6.862 -2.927 6.719 1.00 0.00 C ATOM 558 C LYS A 40 8.258 -3.314 7.193 1.00 0.00 C ATOM 559 O LYS A 40 9.261 -2.837 6.666 1.00 0.00 O ATOM 560 CB LYS A 40 6.419 -1.725 7.526 1.00 0.00 C ATOM 561 CG LYS A 40 4.995 -1.334 7.246 1.00 0.00 C ATOM 562 CD LYS A 40 4.949 -0.232 6.251 1.00 0.00 C ATOM 563 CE LYS A 40 5.610 1.068 6.720 1.00 0.00 C ATOM 564 NZ LYS A 40 7.096 1.004 6.715 1.00 0.00 N ATOM 0 H LYS A 40 5.088 -3.656 7.495 1.00 0.00 H new ATOM 0 HA LYS A 40 6.913 -2.733 5.648 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.530 -1.944 8.588 1.00 0.00 H new ATOM 0 HB3 LYS A 40 7.074 -0.882 7.305 1.00 0.00 H new ATOM 0 HG2 LYS A 40 4.441 -2.195 6.871 1.00 0.00 H new ATOM 0 HG3 LYS A 40 4.509 -1.020 8.170 1.00 0.00 H new ATOM 0 HD2 LYS A 40 5.437 -0.564 5.335 1.00 0.00 H new ATOM 0 HD3 LYS A 40 3.908 -0.027 6.001 1.00 0.00 H new ATOM 0 HE2 LYS A 40 5.286 1.886 6.076 1.00 0.00 H new ATOM 0 HE3 LYS A 40 5.266 1.300 7.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 7.482 1.928 6.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 7.436 0.760 7.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 7.410 0.279 6.038 1.00 0.00 H new ATOM 578 N THR A 41 8.300 -4.187 8.183 1.00 0.00 N ATOM 579 CA THR A 41 9.530 -4.526 8.867 1.00 0.00 C ATOM 580 C THR A 41 10.334 -5.513 8.053 1.00 0.00 C ATOM 581 O THR A 41 11.513 -5.760 8.323 1.00 0.00 O ATOM 582 CB THR A 41 9.262 -5.063 10.282 1.00 0.00 C ATOM 583 OG1 THR A 41 8.173 -5.990 10.286 1.00 0.00 O ATOM 584 CG2 THR A 41 8.947 -3.918 11.216 1.00 0.00 C ATOM 0 H THR A 41 7.479 -4.681 8.534 1.00 0.00 H new ATOM 0 HA THR A 41 10.115 -3.612 8.975 1.00 0.00 H new ATOM 0 HB THR A 41 10.160 -5.581 10.620 1.00 0.00 H new ATOM 0 HG1 THR A 41 8.307 -6.656 9.579 1.00 0.00 H new ATOM 0 HG21 THR A 41 8.758 -4.306 12.217 1.00 0.00 H new ATOM 0 HG22 THR A 41 9.792 -3.231 11.247 1.00 0.00 H new ATOM 0 HG23 THR A 41 8.063 -3.390 10.859 1.00 0.00 H new ATOM 592 N LYS A 42 9.686 -6.059 7.043 1.00 0.00 N ATOM 593 CA LYS A 42 10.388 -6.663 5.956 1.00 0.00 C ATOM 594 C LYS A 42 9.408 -6.760 4.835 1.00 0.00 C ATOM 595 O LYS A 42 8.890 -7.786 4.474 1.00 0.00 O ATOM 596 CB LYS A 42 10.823 -8.044 6.413 1.00 0.00 C ATOM 597 CG LYS A 42 9.591 -8.869 6.639 1.00 0.00 C ATOM 598 CD LYS A 42 9.727 -10.010 7.615 1.00 0.00 C ATOM 599 CE LYS A 42 8.349 -10.362 8.156 1.00 0.00 C ATOM 600 NZ LYS A 42 8.332 -11.665 8.867 1.00 0.00 N ATOM 0 H LYS A 42 8.670 -6.091 6.963 1.00 0.00 H new ATOM 0 HA LYS A 42 11.266 -6.101 5.639 1.00 0.00 H new ATOM 0 HB2 LYS A 42 11.461 -8.510 5.662 1.00 0.00 H new ATOM 0 HB3 LYS A 42 11.408 -7.975 7.330 1.00 0.00 H new ATOM 0 HG2 LYS A 42 8.797 -8.210 6.990 1.00 0.00 H new ATOM 0 HG3 LYS A 42 9.269 -9.274 5.680 1.00 0.00 H new ATOM 0 HD2 LYS A 42 10.172 -10.875 7.124 1.00 0.00 H new ATOM 0 HD3 LYS A 42 10.393 -9.730 8.432 1.00 0.00 H new ATOM 0 HE2 LYS A 42 8.018 -9.577 8.836 1.00 0.00 H new ATOM 0 HE3 LYS A 42 7.636 -10.392 7.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 7.371 -11.858 9.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 8.621 -12.421 8.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 8.991 -11.631 9.670 1.00 0.00 H new ATOM 614 N HIS A 43 9.358 -5.674 4.195 1.00 0.00 N ATOM 615 CA HIS A 43 8.746 -5.479 2.944 1.00 0.00 C ATOM 616 C HIS A 43 9.173 -4.175 2.403 1.00 0.00 C ATOM 617 O HIS A 43 9.800 -3.364 3.082 1.00 0.00 O ATOM 618 CB HIS A 43 7.253 -5.445 3.045 1.00 0.00 C ATOM 619 CG HIS A 43 6.669 -6.778 3.067 1.00 0.00 C ATOM 620 ND1 HIS A 43 5.503 -7.059 3.677 1.00 0.00 N ATOM 621 CD2 HIS A 43 7.169 -7.930 2.619 1.00 0.00 C ATOM 622 CE1 HIS A 43 5.287 -8.333 3.638 1.00 0.00 C ATOM 623 NE2 HIS A 43 6.278 -8.909 2.987 1.00 0.00 N ATOM 0 H HIS A 43 9.779 -4.819 4.558 1.00 0.00 H new ATOM 0 HA HIS A 43 9.041 -6.311 2.305 1.00 0.00 H new ATOM 0 HB2 HIS A 43 6.965 -4.910 3.950 1.00 0.00 H new ATOM 0 HB3 HIS A 43 6.847 -4.887 2.201 1.00 0.00 H new ATOM 0 HD2 HIS A 43 8.092 -8.067 2.075 1.00 0.00 H new ATOM 0 HE1 HIS A 43 4.436 -8.841 4.067 1.00 0.00 H new ATOM 0 HE2 HIS A 43 6.368 -9.906 2.791 1.00 0.00 H new ATOM 632 N ASP A 44 8.782 -3.984 1.200 1.00 0.00 N ATOM 633 CA ASP A 44 8.727 -2.703 0.647 1.00 0.00 C ATOM 634 C ASP A 44 7.402 -2.587 -0.015 1.00 0.00 C ATOM 635 O ASP A 44 7.069 -3.369 -0.861 1.00 0.00 O ATOM 636 CB ASP A 44 9.795 -2.452 -0.418 1.00 0.00 C ATOM 637 CG ASP A 44 11.139 -3.123 -0.174 1.00 0.00 C ATOM 638 OD1 ASP A 44 11.848 -2.744 0.779 1.00 0.00 O ATOM 639 OD2 ASP A 44 11.514 -4.008 -0.976 1.00 0.00 O ATOM 0 H ASP A 44 8.489 -4.730 0.569 1.00 0.00 H new ATOM 0 HA ASP A 44 8.892 -1.980 1.446 1.00 0.00 H new ATOM 0 HB2 ASP A 44 9.410 -2.790 -1.380 1.00 0.00 H new ATOM 0 HB3 ASP A 44 9.956 -1.377 -0.499 1.00 0.00 H new ATOM 644 N LEU A 45 6.689 -1.583 0.296 1.00 0.00 N ATOM 645 CA LEU A 45 5.494 -1.333 -0.304 1.00 0.00 C ATOM 646 C LEU A 45 5.727 -0.318 -1.415 1.00 0.00 C ATOM 647 O LEU A 45 6.474 0.639 -1.228 1.00 0.00 O ATOM 648 CB LEU A 45 4.644 -0.836 0.805 1.00 0.00 C ATOM 649 CG LEU A 45 3.428 -0.186 0.348 1.00 0.00 C ATOM 650 CD1 LEU A 45 2.755 -1.026 -0.677 1.00 0.00 C ATOM 651 CD2 LEU A 45 2.493 -0.025 1.449 1.00 0.00 C ATOM 0 H LEU A 45 6.952 -0.899 1.006 1.00 0.00 H new ATOM 0 HA LEU A 45 5.015 -2.187 -0.784 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.380 -1.671 1.454 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.219 -0.133 1.408 1.00 0.00 H new ATOM 0 HG LEU A 45 3.707 0.784 -0.063 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.844 -0.530 -1.013 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.424 -1.171 -1.525 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.502 -1.994 -0.245 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.588 0.464 1.089 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.240 -1.003 1.857 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.950 0.586 2.228 1.00 0.00 H new ATOM 663 N TYR A 46 5.167 -0.566 -2.591 1.00 0.00 N ATOM 664 CA TYR A 46 5.323 0.339 -3.691 1.00 0.00 C ATOM 665 C TYR A 46 4.044 1.034 -3.959 1.00 0.00 C ATOM 666 O TYR A 46 2.960 0.465 -4.037 1.00 0.00 O ATOM 667 CB TYR A 46 5.791 -0.323 -4.985 1.00 0.00 C ATOM 668 CG TYR A 46 7.190 -0.686 -4.965 1.00 0.00 C ATOM 669 CD1 TYR A 46 7.530 -1.245 -3.860 1.00 0.00 C ATOM 670 CD2 TYR A 46 8.110 -0.529 -5.987 1.00 0.00 C ATOM 671 CE1 TYR A 46 8.741 -1.695 -3.619 1.00 0.00 C ATOM 672 CE2 TYR A 46 9.406 -0.977 -5.796 1.00 0.00 C ATOM 673 CZ TYR A 46 9.723 -1.574 -4.586 1.00 0.00 C ATOM 674 OH TYR A 46 10.998 -2.048 -4.352 1.00 0.00 O ATOM 0 H TYR A 46 4.602 -1.391 -2.795 1.00 0.00 H new ATOM 0 HA TYR A 46 6.103 1.036 -3.386 1.00 0.00 H new ATOM 0 HB2 TYR A 46 5.193 -1.216 -5.165 1.00 0.00 H new ATOM 0 HB3 TYR A 46 5.610 0.355 -5.819 1.00 0.00 H new ATOM 0 HD1 TYR A 46 6.782 -1.351 -3.088 1.00 0.00 H new ATOM 0 HD2 TYR A 46 7.822 -0.065 -6.918 1.00 0.00 H new ATOM 0 HE1 TYR A 46 8.969 -2.157 -2.670 1.00 0.00 H new ATOM 0 HE2 TYR A 46 10.151 -0.864 -6.570 1.00 0.00 H new ATOM 0 HH TYR A 46 11.559 -1.881 -5.138 1.00 0.00 H new ATOM 684 N TYR A 47 4.232 2.266 -4.072 1.00 0.00 N ATOM 685 CA TYR A 47 3.247 3.196 -4.385 1.00 0.00 C ATOM 686 C TYR A 47 3.517 3.776 -5.751 1.00 0.00 C ATOM 687 O TYR A 47 4.548 4.410 -5.981 1.00 0.00 O ATOM 688 CB TYR A 47 3.267 4.219 -3.295 1.00 0.00 C ATOM 689 CG TYR A 47 2.388 5.287 -3.580 1.00 0.00 C ATOM 690 CD1 TYR A 47 1.180 4.883 -3.892 1.00 0.00 C ATOM 691 CD2 TYR A 47 2.686 6.634 -3.481 1.00 0.00 C ATOM 692 CE1 TYR A 47 0.229 5.723 -4.129 1.00 0.00 C ATOM 693 CE2 TYR A 47 1.699 7.556 -3.740 1.00 0.00 C ATOM 694 CZ TYR A 47 0.447 7.083 -4.066 1.00 0.00 C ATOM 695 OH TYR A 47 -0.577 7.956 -4.328 1.00 0.00 O ATOM 0 H TYR A 47 5.150 2.691 -3.939 1.00 0.00 H new ATOM 0 HA TYR A 47 2.252 2.754 -4.439 1.00 0.00 H new ATOM 0 HB2 TYR A 47 2.984 3.754 -2.351 1.00 0.00 H new ATOM 0 HB3 TYR A 47 4.280 4.602 -3.171 1.00 0.00 H new ATOM 0 HD1 TYR A 47 0.976 3.824 -3.952 1.00 0.00 H new ATOM 0 HD2 TYR A 47 3.679 6.957 -3.204 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -0.754 5.354 -4.381 1.00 0.00 H new ATOM 0 HE2 TYR A 47 1.899 8.616 -3.689 1.00 0.00 H new ATOM 0 HH TYR A 47 -1.310 7.478 -4.769 1.00 0.00 H new ATOM 878 N SER A 59 -0.473 11.065 4.068 1.00 0.00 N ATOM 879 CA SER A 59 -1.615 10.213 3.992 1.00 0.00 C ATOM 880 C SER A 59 -2.055 9.907 2.582 1.00 0.00 C ATOM 881 O SER A 59 -1.445 10.341 1.624 1.00 0.00 O ATOM 882 CB SER A 59 -2.736 10.923 4.697 1.00 0.00 C ATOM 883 OG SER A 59 -2.270 11.656 5.821 1.00 0.00 O ATOM 0 HA SER A 59 -1.353 9.257 4.447 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.232 11.600 4.002 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.481 10.196 5.020 1.00 0.00 H new ATOM 0 HG SER A 59 -1.425 12.099 5.595 1.00 0.00 H new ATOM 889 N LEU A 60 -3.148 9.176 2.492 1.00 0.00 N ATOM 890 CA LEU A 60 -3.802 8.912 1.207 1.00 0.00 C ATOM 891 C LEU A 60 -3.895 10.183 0.381 1.00 0.00 C ATOM 892 O LEU A 60 -3.430 10.249 -0.759 1.00 0.00 O ATOM 893 CB LEU A 60 -5.248 8.484 1.408 1.00 0.00 C ATOM 894 CG LEU A 60 -5.537 7.495 2.515 1.00 0.00 C ATOM 895 CD1 LEU A 60 -6.931 7.712 2.999 1.00 0.00 C ATOM 896 CD2 LEU A 60 -5.382 6.093 2.025 1.00 0.00 C ATOM 0 H LEU A 60 -3.611 8.748 3.294 1.00 0.00 H new ATOM 0 HA LEU A 60 -3.208 8.139 0.719 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.841 9.380 1.594 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -5.605 8.054 0.472 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.829 7.649 3.329 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -7.153 7.005 3.798 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -7.031 8.730 3.377 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -7.630 7.560 2.176 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.595 5.398 2.837 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.077 5.915 1.204 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.361 5.941 1.675 1.00 0.00 H new ATOM 908 N LYS A 61 -4.483 11.198 0.994 1.00 0.00 N ATOM 909 CA LYS A 61 -4.726 12.454 0.327 1.00 0.00 C ATOM 910 C LYS A 61 -3.435 13.215 0.045 1.00 0.00 C ATOM 911 O LYS A 61 -3.381 14.043 -0.863 1.00 0.00 O ATOM 912 CB LYS A 61 -5.805 13.279 1.023 1.00 0.00 C ATOM 913 CG LYS A 61 -5.256 14.229 2.004 1.00 0.00 C ATOM 914 CD LYS A 61 -4.367 13.494 2.943 1.00 0.00 C ATOM 915 CE LYS A 61 -4.492 13.991 4.380 1.00 0.00 C ATOM 916 NZ LYS A 61 -4.338 15.469 4.488 1.00 0.00 N ATOM 0 H LYS A 61 -4.801 11.169 1.963 1.00 0.00 H new ATOM 0 HA LYS A 61 -5.139 12.227 -0.656 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.376 13.828 0.274 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.501 12.607 1.525 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -4.699 15.016 1.495 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.064 14.714 2.552 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -4.607 12.431 2.908 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -3.333 13.598 2.615 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -5.464 13.700 4.778 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -3.736 13.504 4.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -4.193 15.731 5.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -3.517 15.774 3.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -5.196 15.935 4.129 1.00 0.00 H new ATOM 930 N GLU A 62 -2.398 12.939 0.825 1.00 0.00 N ATOM 931 CA GLU A 62 -1.118 13.589 0.614 1.00 0.00 C ATOM 932 C GLU A 62 -0.301 12.845 -0.435 1.00 0.00 C ATOM 933 O GLU A 62 0.304 13.465 -1.307 1.00 0.00 O ATOM 934 CB GLU A 62 -0.365 13.691 1.920 1.00 0.00 C ATOM 935 CG GLU A 62 -1.212 14.283 3.025 1.00 0.00 C ATOM 936 CD GLU A 62 -0.475 14.460 4.334 1.00 0.00 C ATOM 937 OE1 GLU A 62 0.165 15.512 4.527 1.00 0.00 O ATOM 938 OE2 GLU A 62 -0.554 13.548 5.180 1.00 0.00 O ATOM 0 H GLU A 62 -2.420 12.277 1.600 1.00 0.00 H new ATOM 0 HA GLU A 62 -1.295 14.598 0.241 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -0.023 12.700 2.218 1.00 0.00 H new ATOM 0 HB3 GLU A 62 0.524 14.305 1.778 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -1.592 15.251 2.699 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.077 13.641 3.190 1.00 0.00 H new ATOM 945 N LEU A 63 -0.304 11.514 -0.350 1.00 0.00 N ATOM 946 CA LEU A 63 0.406 10.675 -1.323 1.00 0.00 C ATOM 947 C LEU A 63 -0.038 10.991 -2.728 1.00 0.00 C ATOM 948 O LEU A 63 0.781 11.126 -3.638 1.00 0.00 O ATOM 949 CB LEU A 63 0.163 9.172 -1.111 1.00 0.00 C ATOM 950 CG LEU A 63 0.680 8.581 0.193 1.00 0.00 C ATOM 951 CD1 LEU A 63 0.272 7.120 0.306 1.00 0.00 C ATOM 952 CD2 LEU A 63 2.191 8.714 0.273 1.00 0.00 C ATOM 0 H LEU A 63 -0.789 10.992 0.380 1.00 0.00 H new ATOM 0 HA LEU A 63 1.463 10.897 -1.175 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -0.910 8.988 -1.168 1.00 0.00 H new ATOM 0 HB3 LEU A 63 0.624 8.631 -1.938 1.00 0.00 H new ATOM 0 HG LEU A 63 0.240 9.133 1.024 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.648 6.709 1.243 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.815 7.043 0.286 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.691 6.560 -0.530 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.545 8.287 1.211 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.648 8.183 -0.562 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.466 9.768 0.228 1.00 0.00 H new ATOM 964 N GLY A 64 -1.340 11.125 -2.894 1.00 0.00 N ATOM 965 CA GLY A 64 -1.905 11.213 -4.210 1.00 0.00 C ATOM 966 C GLY A 64 -2.723 9.980 -4.520 1.00 0.00 C ATOM 967 O GLY A 64 -2.836 9.581 -5.675 1.00 0.00 O ATOM 0 H GLY A 64 -2.017 11.174 -2.132 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -2.533 12.101 -4.284 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -1.109 11.323 -4.947 1.00 0.00 H new ATOM 971 N LEU A 65 -3.288 9.374 -3.474 1.00 0.00 N ATOM 972 CA LEU A 65 -4.090 8.160 -3.623 1.00 0.00 C ATOM 973 C LEU A 65 -5.488 8.528 -4.109 1.00 0.00 C ATOM 974 O LEU A 65 -5.930 9.667 -3.945 1.00 0.00 O ATOM 975 CB LEU A 65 -4.158 7.383 -2.301 1.00 0.00 C ATOM 976 CG LEU A 65 -2.900 6.623 -1.889 1.00 0.00 C ATOM 977 CD1 LEU A 65 -3.013 6.133 -0.460 1.00 0.00 C ATOM 978 CD2 LEU A 65 -2.632 5.449 -2.796 1.00 0.00 C ATOM 0 H LEU A 65 -3.204 9.706 -2.513 1.00 0.00 H new ATOM 0 HA LEU A 65 -3.617 7.512 -4.361 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -4.407 8.085 -1.506 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.980 6.670 -2.367 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.067 7.321 -1.972 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.106 5.594 -0.187 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.144 6.985 0.207 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.871 5.467 -0.371 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.728 4.935 -2.469 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -3.475 4.760 -2.758 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.498 5.802 -3.818 1.00 0.00 H new ATOM 990 N LYS A 66 -6.172 7.558 -4.688 1.00 0.00 N ATOM 991 CA LYS A 66 -7.369 7.889 -5.482 1.00 0.00 C ATOM 992 C LYS A 66 -8.145 6.723 -6.073 1.00 0.00 C ATOM 993 O LYS A 66 -8.113 5.609 -5.588 1.00 0.00 O ATOM 994 CB LYS A 66 -6.989 8.854 -6.628 1.00 0.00 C ATOM 995 CG LYS A 66 -6.118 8.239 -7.724 1.00 0.00 C ATOM 996 CD LYS A 66 -4.714 7.945 -7.236 1.00 0.00 C ATOM 997 CE LYS A 66 -3.861 7.276 -8.299 1.00 0.00 C ATOM 998 NZ LYS A 66 -3.621 8.161 -9.468 1.00 0.00 N ATOM 0 H LYS A 66 -5.941 6.566 -4.635 1.00 0.00 H new ATOM 0 HA LYS A 66 -8.043 8.341 -4.754 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -7.904 9.234 -7.082 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -6.464 9.710 -6.204 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -6.579 7.317 -8.079 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -6.071 8.919 -8.574 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -4.238 8.875 -6.924 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -4.765 7.302 -6.357 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -2.905 6.985 -7.864 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -4.351 6.362 -8.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -2.761 7.854 -9.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -4.433 8.108 -10.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -3.501 9.141 -9.142 1.00 0.00 H new ATOM 1012 N THR A 67 -8.872 7.041 -7.133 1.00 0.00 N ATOM 1013 CA THR A 67 -9.754 6.110 -7.811 1.00 0.00 C ATOM 1014 C THR A 67 -8.974 5.020 -8.551 1.00 0.00 C ATOM 1015 O THR A 67 -9.507 3.949 -8.828 1.00 0.00 O ATOM 1016 CB THR A 67 -10.635 6.887 -8.808 1.00 0.00 C ATOM 1017 OG1 THR A 67 -11.146 8.069 -8.174 1.00 0.00 O ATOM 1018 CG2 THR A 67 -11.797 6.045 -9.303 1.00 0.00 C ATOM 0 H THR A 67 -8.864 7.971 -7.552 1.00 0.00 H new ATOM 0 HA THR A 67 -10.372 5.618 -7.060 1.00 0.00 H new ATOM 0 HB THR A 67 -10.017 7.152 -9.666 1.00 0.00 H new ATOM 0 HG1 THR A 67 -11.705 8.565 -8.808 1.00 0.00 H new ATOM 0 HG21 THR A 67 -12.395 6.627 -10.004 1.00 0.00 H new ATOM 0 HG22 THR A 67 -11.415 5.156 -9.804 1.00 0.00 H new ATOM 0 HG23 THR A 67 -12.417 5.747 -8.457 1.00 0.00 H new ATOM 1026 N ASP A 68 -7.714 5.286 -8.866 1.00 0.00 N ATOM 1027 CA ASP A 68 -6.906 4.332 -9.617 1.00 0.00 C ATOM 1028 C ASP A 68 -5.599 4.031 -8.900 1.00 0.00 C ATOM 1029 O ASP A 68 -4.607 3.659 -9.529 1.00 0.00 O ATOM 1030 CB ASP A 68 -6.610 4.858 -11.029 1.00 0.00 C ATOM 1031 CG ASP A 68 -5.658 6.042 -11.040 1.00 0.00 C ATOM 1032 OD1 ASP A 68 -6.092 7.167 -10.716 1.00 0.00 O ATOM 1033 OD2 ASP A 68 -4.467 5.863 -11.380 1.00 0.00 O ATOM 0 H ASP A 68 -7.230 6.148 -8.616 1.00 0.00 H new ATOM 0 HA ASP A 68 -7.481 3.409 -9.694 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -6.185 4.053 -11.628 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -7.546 5.149 -11.505 1.00 0.00 H new ATOM 1038 N ASP A 69 -5.592 4.164 -7.585 1.00 0.00 N ATOM 1039 CA ASP A 69 -4.365 3.986 -6.823 1.00 0.00 C ATOM 1040 C ASP A 69 -4.110 2.516 -6.498 1.00 0.00 C ATOM 1041 O ASP A 69 -4.852 1.633 -6.921 1.00 0.00 O ATOM 1042 CB ASP A 69 -4.385 4.819 -5.548 1.00 0.00 C ATOM 1043 CG ASP A 69 -5.559 4.497 -4.660 1.00 0.00 C ATOM 1044 OD1 ASP A 69 -6.418 3.719 -5.090 1.00 0.00 O ATOM 1045 OD2 ASP A 69 -5.630 5.048 -3.550 1.00 0.00 O ATOM 0 H ASP A 69 -6.414 4.393 -7.025 1.00 0.00 H new ATOM 0 HA ASP A 69 -3.544 4.335 -7.450 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -3.460 4.652 -4.995 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -4.413 5.877 -5.810 1.00 0.00 H new ATOM 1050 N LEU A 70 -3.019 2.270 -5.781 1.00 0.00 N ATOM 1051 CA LEU A 70 -2.474 0.937 -5.602 1.00 0.00 C ATOM 1052 C LEU A 70 -1.396 0.913 -4.530 1.00 0.00 C ATOM 1053 O LEU A 70 -0.671 1.894 -4.360 1.00 0.00 O ATOM 1054 CB LEU A 70 -1.915 0.394 -6.907 1.00 0.00 C ATOM 1055 CG LEU A 70 -0.727 1.105 -7.499 1.00 0.00 C ATOM 1056 CD1 LEU A 70 -0.933 2.583 -7.413 1.00 0.00 C ATOM 1057 CD2 LEU A 70 0.594 0.683 -6.872 1.00 0.00 C ATOM 0 H LEU A 70 -2.487 2.999 -5.305 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.295 0.298 -5.278 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -1.639 -0.648 -6.748 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -2.716 0.402 -7.646 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.656 0.814 -8.547 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.072 3.096 -7.842 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.832 2.858 -7.965 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.046 2.874 -6.369 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.411 1.231 -7.342 1.00 0.00 H new ATOM 0 HD22 LEU A 70 0.576 0.902 -5.804 1.00 0.00 H new ATOM 0 HD23 LEU A 70 0.742 -0.387 -7.020 1.00 0.00 H new ATOM 1069 N LEU A 71 -1.302 -0.188 -3.802 1.00 0.00 N ATOM 1070 CA LEU A 71 -0.079 -0.520 -3.088 1.00 0.00 C ATOM 1071 C LEU A 71 0.477 -1.817 -3.604 1.00 0.00 C ATOM 1072 O LEU A 71 -0.248 -2.686 -4.088 1.00 0.00 O ATOM 1073 CB LEU A 71 -0.262 -0.696 -1.586 1.00 0.00 C ATOM 1074 CG LEU A 71 -0.230 0.564 -0.723 1.00 0.00 C ATOM 1075 CD1 LEU A 71 0.064 1.783 -1.557 1.00 0.00 C ATOM 1076 CD2 LEU A 71 -1.517 0.717 0.049 1.00 0.00 C ATOM 0 H LEU A 71 -2.056 -0.866 -3.690 1.00 0.00 H new ATOM 0 HA LEU A 71 0.587 0.326 -3.259 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.217 -1.195 -1.419 1.00 0.00 H new ATOM 0 HB3 LEU A 71 0.517 -1.370 -1.228 1.00 0.00 H new ATOM 0 HG LEU A 71 0.579 0.462 0.000 1.00 0.00 H new ATOM 0 HD11 LEU A 71 0.081 2.666 -0.918 1.00 0.00 H new ATOM 0 HD12 LEU A 71 1.033 1.667 -2.042 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -0.709 1.900 -2.316 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -1.472 1.621 0.657 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.353 0.789 -0.647 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.658 -0.149 0.696 1.00 0.00 H new ATOM 1088 N LEU A 72 1.762 -1.933 -3.487 1.00 0.00 N ATOM 1089 CA LEU A 72 2.421 -3.234 -3.756 1.00 0.00 C ATOM 1090 C LEU A 72 3.313 -3.721 -2.660 1.00 0.00 C ATOM 1091 O LEU A 72 4.125 -3.003 -2.120 1.00 0.00 O ATOM 1092 CB LEU A 72 3.242 -3.232 -5.005 1.00 0.00 C ATOM 1093 CG LEU A 72 2.409 -3.051 -6.235 1.00 0.00 C ATOM 1094 CD1 LEU A 72 2.828 -1.819 -7.015 1.00 0.00 C ATOM 1095 CD2 LEU A 72 2.476 -4.290 -7.097 1.00 0.00 C ATOM 0 H LEU A 72 2.391 -1.178 -3.215 1.00 0.00 H new ATOM 0 HA LEU A 72 1.568 -3.906 -3.852 1.00 0.00 H new ATOM 0 HB2 LEU A 72 3.981 -2.433 -4.949 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.792 -4.170 -5.077 1.00 0.00 H new ATOM 0 HG LEU A 72 1.375 -2.899 -5.925 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.202 -1.719 -7.901 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.713 -0.935 -6.388 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.871 -1.917 -7.317 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.866 -4.146 -7.989 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.510 -4.474 -7.390 1.00 0.00 H new ATOM 0 HD23 LEU A 72 2.101 -5.145 -6.535 1.00 0.00 H new ATOM 1107 N ILE A 73 3.226 -4.988 -2.432 1.00 0.00 N ATOM 1108 CA ILE A 73 4.013 -5.601 -1.343 1.00 0.00 C ATOM 1109 C ILE A 73 5.232 -6.313 -1.806 1.00 0.00 C ATOM 1110 O ILE A 73 5.183 -7.404 -2.348 1.00 0.00 O ATOM 1111 CB ILE A 73 3.217 -6.515 -0.408 1.00 0.00 C ATOM 1112 CG1 ILE A 73 2.383 -5.634 0.449 1.00 0.00 C ATOM 1113 CG2 ILE A 73 4.108 -7.371 0.478 1.00 0.00 C ATOM 1114 CD1 ILE A 73 3.051 -4.311 0.730 1.00 0.00 C ATOM 0 H ILE A 73 2.638 -5.634 -2.958 1.00 0.00 H new ATOM 0 HA ILE A 73 4.319 -4.729 -0.765 1.00 0.00 H new ATOM 0 HB ILE A 73 2.621 -7.202 -1.009 1.00 0.00 H new ATOM 0 HG12 ILE A 73 1.424 -5.458 -0.039 1.00 0.00 H new ATOM 0 HG13 ILE A 73 2.173 -6.140 1.391 1.00 0.00 H new ATOM 0 HG21 ILE A 73 3.489 -7.998 1.119 1.00 0.00 H new ATOM 0 HG22 ILE A 73 4.741 -8.003 -0.145 1.00 0.00 H new ATOM 0 HG23 ILE A 73 4.734 -6.727 1.096 1.00 0.00 H new ATOM 0 HD11 ILE A 73 2.402 -3.702 1.360 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.997 -4.483 1.243 1.00 0.00 H new ATOM 0 HD13 ILE A 73 3.237 -3.790 -0.209 1.00 0.00 H new ATOM 1126 N ARG A 74 6.336 -5.704 -1.503 1.00 0.00 N ATOM 1127 CA ARG A 74 7.604 -6.223 -1.931 1.00 0.00 C ATOM 1128 C ARG A 74 8.480 -6.454 -0.732 1.00 0.00 C ATOM 1129 O ARG A 74 8.010 -6.403 0.381 1.00 0.00 O ATOM 1130 CB ARG A 74 8.272 -5.231 -2.868 1.00 0.00 C ATOM 1131 CG ARG A 74 7.366 -4.736 -3.978 1.00 0.00 C ATOM 1132 CD ARG A 74 8.073 -4.719 -5.322 1.00 0.00 C ATOM 1133 NE ARG A 74 8.454 -6.066 -5.753 1.00 0.00 N ATOM 1134 CZ ARG A 74 8.363 -6.505 -7.008 1.00 0.00 C ATOM 1135 NH1 ARG A 74 8.019 -5.679 -7.989 1.00 0.00 N ATOM 1136 NH2 ARG A 74 8.643 -7.773 -7.282 1.00 0.00 N ATOM 0 H ARG A 74 6.388 -4.843 -0.959 1.00 0.00 H new ATOM 0 HA ARG A 74 7.451 -7.166 -2.456 1.00 0.00 H new ATOM 0 HB2 ARG A 74 8.622 -4.377 -2.289 1.00 0.00 H new ATOM 0 HB3 ARG A 74 9.152 -5.698 -3.310 1.00 0.00 H new ATOM 0 HG2 ARG A 74 6.485 -5.375 -4.039 1.00 0.00 H new ATOM 0 HG3 ARG A 74 7.015 -3.732 -3.740 1.00 0.00 H new ATOM 0 HD2 ARG A 74 7.421 -4.269 -6.070 1.00 0.00 H new ATOM 0 HD3 ARG A 74 8.963 -4.093 -5.257 1.00 0.00 H new ATOM 0 HE ARG A 74 8.812 -6.709 -5.047 1.00 0.00 H new ATOM 0 HH11 ARG A 74 7.822 -4.699 -7.785 1.00 0.00 H new ATOM 0 HH12 ARG A 74 7.952 -6.024 -8.946 1.00 0.00 H new ATOM 0 HH21 ARG A 74 8.926 -8.406 -6.534 1.00 0.00 H new ATOM 0 HH22 ARG A 74 8.575 -8.115 -8.241 1.00 0.00 H new