USER MOD reduce.3.24.130724 H: found=0, std=0, add=553, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 553 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 21 SER OG : rot -121:sc= 0.533 USER MOD Set 1.2: A 57 SER OG : rot -155:sc= -0.251 USER MOD Single : A 1 ALA N :NH3+ -112:sc= 0.0879 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc=-0.00378 X(o=-0.0038,f=-0.023) USER MOD Single : A 8 THR OG1 : rot 140:sc= 0 USER MOD Single : A 10 SER OG : rot -66:sc= 0.435 USER MOD Single : A 14 TYR OH : rot 180:sc= -0.676 USER MOD Single : A 15 LYS NZ :NH3+ -146:sc= 1.23 (180deg=0.0993!) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.267 X(o=-0.27,f=-0.11) USER MOD Single : A 22 MET CE :methyl 166:sc= -0.183 (180deg=-0.635) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -1.46 X(o=-1.5,f=-1.9!) USER MOD Single : A 40 SER OG : rot 180:sc=-0.00242 USER MOD Single : A 42 SER OG : rot 90:sc= 1.19 USER MOD Single : A 52 SER OG : rot -170:sc= -0.361 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 135:sc= 1.28 (180deg=0.85) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.148 USER MOD Single : A 70 ASN : amide:sc= 0.243 K(o=0.24,f=-0.86) USER MOD Single : A 71 SER OG : rot 180:sc= 0.0936 USER MOD Single : A 76 ASN : amide:sc= -0.0364 X(o=-0.036,f=-0.43) USER MOD Single : A 79 ASN : amide:sc= 1.08 K(o=1.1,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -10.283 6.669 6.693 1.00 0.00 N ATOM 2 CA ALA A 1 -9.153 5.877 6.164 1.00 0.00 C ATOM 3 C ALA A 1 -9.462 4.388 6.234 1.00 0.00 C ATOM 4 O ALA A 1 -10.345 3.966 6.982 1.00 0.00 O ATOM 5 CB ALA A 1 -7.879 6.197 6.936 1.00 0.00 C ATOM 0 H1 ALA A 1 -10.727 7.201 5.918 1.00 0.00 H new ATOM 0 H2 ALA A 1 -10.984 6.031 7.121 1.00 0.00 H new ATOM 0 H3 ALA A 1 -9.934 7.333 7.413 1.00 0.00 H new ATOM 0 HA ALA A 1 -9.002 6.144 5.118 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -7.054 5.607 6.537 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -7.649 7.258 6.835 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -8.021 5.955 7.989 1.00 0.00 H new ATOM 13 N THR A 2 -8.719 3.594 5.475 1.00 0.00 N ATOM 14 CA THR A 2 -8.951 2.162 5.413 1.00 0.00 C ATOM 15 C THR A 2 -8.361 1.453 6.628 1.00 0.00 C ATOM 16 O THR A 2 -7.148 1.274 6.736 1.00 0.00 O ATOM 17 CB THR A 2 -8.344 1.570 4.127 1.00 0.00 C ATOM 18 OG1 THR A 2 -8.455 2.527 3.064 1.00 0.00 O ATOM 19 CG2 THR A 2 -9.058 0.282 3.737 1.00 0.00 C ATOM 0 H THR A 2 -7.948 3.921 4.893 1.00 0.00 H new ATOM 0 HA THR A 2 -10.030 2.005 5.408 1.00 0.00 H new ATOM 0 HB THR A 2 -7.294 1.340 4.308 1.00 0.00 H new ATOM 0 HG1 THR A 2 -8.068 2.153 2.245 1.00 0.00 H new ATOM 0 HG21 THR A 2 -8.613 -0.119 2.826 1.00 0.00 H new ATOM 0 HG22 THR A 2 -8.958 -0.447 4.541 1.00 0.00 H new ATOM 0 HG23 THR A 2 -10.114 0.489 3.564 1.00 0.00 H new ATOM 27 N THR A 3 -9.232 1.080 7.552 1.00 0.00 N ATOM 28 CA THR A 3 -8.826 0.351 8.739 1.00 0.00 C ATOM 29 C THR A 3 -8.919 -1.152 8.498 1.00 0.00 C ATOM 30 O THR A 3 -9.896 -1.631 7.921 1.00 0.00 O ATOM 31 CB THR A 3 -9.710 0.734 9.940 1.00 0.00 C ATOM 32 OG1 THR A 3 -10.129 2.099 9.811 1.00 0.00 O ATOM 33 CG2 THR A 3 -8.963 0.545 11.252 1.00 0.00 C ATOM 0 H THR A 3 -10.232 1.273 7.500 1.00 0.00 H new ATOM 0 HA THR A 3 -7.792 0.616 8.961 1.00 0.00 H new ATOM 0 HB THR A 3 -10.582 0.080 9.949 1.00 0.00 H new ATOM 0 HG1 THR A 3 -10.693 2.342 10.575 1.00 0.00 H new ATOM 0 HG21 THR A 3 -9.611 0.823 12.083 1.00 0.00 H new ATOM 0 HG22 THR A 3 -8.668 -0.499 11.356 1.00 0.00 H new ATOM 0 HG23 THR A 3 -8.074 1.176 11.259 1.00 0.00 H new ATOM 41 N ILE A 4 -7.902 -1.886 8.921 1.00 0.00 N ATOM 42 CA ILE A 4 -7.883 -3.329 8.731 1.00 0.00 C ATOM 43 C ILE A 4 -8.654 -4.029 9.846 1.00 0.00 C ATOM 44 O ILE A 4 -8.378 -3.818 11.031 1.00 0.00 O ATOM 45 CB ILE A 4 -6.442 -3.881 8.681 1.00 0.00 C ATOM 46 CG1 ILE A 4 -5.628 -3.145 7.613 1.00 0.00 C ATOM 47 CG2 ILE A 4 -6.454 -5.378 8.406 1.00 0.00 C ATOM 48 CD1 ILE A 4 -4.310 -2.601 8.120 1.00 0.00 C ATOM 0 H ILE A 4 -7.082 -1.509 9.396 1.00 0.00 H new ATOM 0 HA ILE A 4 -8.362 -3.531 7.773 1.00 0.00 H new ATOM 0 HB ILE A 4 -5.972 -3.714 9.650 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -5.435 -3.825 6.783 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -6.223 -2.321 7.219 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -5.430 -5.750 8.374 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -7.001 -5.889 9.198 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -6.939 -5.568 7.449 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -3.790 -2.093 7.308 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.495 -1.895 8.930 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.695 -3.422 8.488 1.00 0.00 H new ATOM 60 N GLY A 5 -9.628 -4.840 9.462 1.00 0.00 N ATOM 61 CA GLY A 5 -10.404 -5.591 10.426 1.00 0.00 C ATOM 62 C GLY A 5 -10.113 -7.078 10.349 1.00 0.00 C ATOM 63 O GLY A 5 -9.168 -7.485 9.674 1.00 0.00 O ATOM 0 H GLY A 5 -9.897 -4.992 8.490 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -10.184 -5.229 11.430 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -11.466 -5.419 10.251 1.00 0.00 H new ATOM 67 N PRO A 6 -10.926 -7.918 11.014 1.00 0.00 N ATOM 68 CA PRO A 6 -10.720 -9.375 11.037 1.00 0.00 C ATOM 69 C PRO A 6 -11.081 -10.036 9.708 1.00 0.00 C ATOM 70 O PRO A 6 -10.958 -11.252 9.549 1.00 0.00 O ATOM 71 CB PRO A 6 -11.667 -9.845 12.144 1.00 0.00 C ATOM 72 CG PRO A 6 -12.755 -8.826 12.164 1.00 0.00 C ATOM 73 CD PRO A 6 -12.110 -7.515 11.796 1.00 0.00 C ATOM 0 HA PRO A 6 -9.676 -9.638 11.207 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -12.059 -10.840 11.934 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -11.157 -9.900 13.106 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -13.543 -9.084 11.457 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -13.217 -8.769 13.150 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -12.782 -6.888 11.211 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -11.830 -6.943 12.681 1.00 0.00 H new ATOM 81 N ASN A 7 -11.530 -9.225 8.763 1.00 0.00 N ATOM 82 CA ASN A 7 -11.908 -9.704 7.444 1.00 0.00 C ATOM 83 C ASN A 7 -11.512 -8.685 6.390 1.00 0.00 C ATOM 84 O ASN A 7 -11.422 -7.491 6.672 1.00 0.00 O ATOM 85 CB ASN A 7 -13.418 -9.970 7.363 1.00 0.00 C ATOM 86 CG ASN A 7 -14.227 -9.087 8.296 1.00 0.00 C ATOM 87 OD1 ASN A 7 -14.122 -7.860 8.262 1.00 0.00 O ATOM 88 ND2 ASN A 7 -15.041 -9.708 9.133 1.00 0.00 N ATOM 0 H ASN A 7 -11.642 -8.219 8.889 1.00 0.00 H new ATOM 0 HA ASN A 7 -11.384 -10.642 7.262 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -13.755 -9.811 6.339 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -13.611 -11.016 7.603 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -15.612 -9.169 9.783 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -15.098 -10.726 9.128 1.00 0.00 H new ATOM 95 N THR A 8 -11.251 -9.171 5.189 1.00 0.00 N ATOM 96 CA THR A 8 -10.907 -8.315 4.063 1.00 0.00 C ATOM 97 C THR A 8 -11.205 -9.043 2.760 1.00 0.00 C ATOM 98 O THR A 8 -12.146 -8.705 2.043 1.00 0.00 O ATOM 99 CB THR A 8 -9.416 -7.913 4.087 1.00 0.00 C ATOM 100 OG1 THR A 8 -8.728 -8.637 5.116 1.00 0.00 O ATOM 101 CG2 THR A 8 -9.259 -6.419 4.321 1.00 0.00 C ATOM 0 H THR A 8 -11.271 -10.166 4.965 1.00 0.00 H new ATOM 0 HA THR A 8 -11.507 -7.408 4.138 1.00 0.00 H new ATOM 0 HB THR A 8 -8.983 -8.159 3.118 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.845 -8.910 4.789 1.00 0.00 H new ATOM 0 HG21 THR A 8 -8.200 -6.162 4.334 1.00 0.00 H new ATOM 0 HG22 THR A 8 -9.756 -5.871 3.520 1.00 0.00 H new ATOM 0 HG23 THR A 8 -9.709 -6.151 5.277 1.00 0.00 H new ATOM 109 N CYS A 9 -10.396 -10.053 2.477 1.00 0.00 N ATOM 110 CA CYS A 9 -10.568 -10.901 1.305 1.00 0.00 C ATOM 111 C CYS A 9 -9.832 -12.218 1.528 1.00 0.00 C ATOM 112 O CYS A 9 -9.157 -12.735 0.636 1.00 0.00 O ATOM 113 CB CYS A 9 -10.035 -10.205 0.045 1.00 0.00 C ATOM 114 SG CYS A 9 -8.907 -8.808 0.375 1.00 0.00 S ATOM 0 H CYS A 9 -9.597 -10.309 3.057 1.00 0.00 H new ATOM 0 HA CYS A 9 -11.631 -11.094 1.159 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -9.514 -10.940 -0.568 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -10.880 -9.843 -0.541 1.00 0.00 H new ATOM 119 N SER A 10 -9.966 -12.755 2.733 1.00 0.00 N ATOM 120 CA SER A 10 -9.219 -13.933 3.137 1.00 0.00 C ATOM 121 C SER A 10 -9.845 -15.217 2.593 1.00 0.00 C ATOM 122 O SER A 10 -10.507 -15.963 3.320 1.00 0.00 O ATOM 123 CB SER A 10 -9.127 -13.981 4.658 1.00 0.00 C ATOM 124 OG SER A 10 -8.667 -12.740 5.164 1.00 0.00 O ATOM 0 H SER A 10 -10.591 -12.388 3.451 1.00 0.00 H new ATOM 0 HA SER A 10 -8.216 -13.863 2.715 1.00 0.00 H new ATOM 0 HB2 SER A 10 -10.104 -14.214 5.081 1.00 0.00 H new ATOM 0 HB3 SER A 10 -8.450 -14.779 4.963 1.00 0.00 H new ATOM 0 HG SER A 10 -7.745 -12.588 4.870 1.00 0.00 H new ATOM 130 N ILE A 11 -9.633 -15.457 1.304 1.00 0.00 N ATOM 131 CA ILE A 11 -10.074 -16.695 0.673 1.00 0.00 C ATOM 132 C ILE A 11 -9.081 -17.817 0.970 1.00 0.00 C ATOM 133 O ILE A 11 -9.181 -18.476 2.004 1.00 0.00 O ATOM 134 CB ILE A 11 -10.237 -16.539 -0.859 1.00 0.00 C ATOM 135 CG1 ILE A 11 -10.719 -15.128 -1.209 1.00 0.00 C ATOM 136 CG2 ILE A 11 -11.209 -17.581 -1.391 1.00 0.00 C ATOM 137 CD1 ILE A 11 -10.144 -14.599 -2.503 1.00 0.00 C ATOM 0 H ILE A 11 -9.158 -14.810 0.675 1.00 0.00 H new ATOM 0 HA ILE A 11 -11.050 -16.943 1.090 1.00 0.00 H new ATOM 0 HB ILE A 11 -9.266 -16.694 -1.329 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -11.807 -15.131 -1.278 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -10.453 -14.450 -0.398 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -11.316 -17.462 -2.469 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -10.829 -18.579 -1.172 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -12.180 -17.450 -0.913 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -10.528 -13.596 -2.689 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -9.057 -14.564 -2.431 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -10.432 -15.255 -3.324 1.00 0.00 H new ATOM 149 N ASP A 12 -8.110 -18.016 0.080 1.00 0.00 N ATOM 150 CA ASP A 12 -7.095 -19.048 0.276 1.00 0.00 C ATOM 151 C ASP A 12 -5.873 -18.485 0.998 1.00 0.00 C ATOM 152 O ASP A 12 -4.926 -18.016 0.358 1.00 0.00 O ATOM 153 CB ASP A 12 -6.678 -19.661 -1.064 1.00 0.00 C ATOM 154 CG ASP A 12 -5.672 -20.785 -0.901 1.00 0.00 C ATOM 155 OD1 ASP A 12 -5.933 -21.714 -0.111 1.00 0.00 O ATOM 156 OD2 ASP A 12 -4.611 -20.743 -1.562 1.00 0.00 O ATOM 0 H ASP A 12 -8.005 -17.478 -0.780 1.00 0.00 H new ATOM 0 HA ASP A 12 -7.532 -19.830 0.897 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -7.562 -20.040 -1.577 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -6.250 -18.884 -1.698 1.00 0.00 H new ATOM 161 N ASP A 13 -5.918 -18.535 2.331 1.00 0.00 N ATOM 162 CA ASP A 13 -4.834 -18.037 3.192 1.00 0.00 C ATOM 163 C ASP A 13 -4.422 -16.617 2.806 1.00 0.00 C ATOM 164 O ASP A 13 -3.245 -16.261 2.831 1.00 0.00 O ATOM 165 CB ASP A 13 -3.621 -18.973 3.134 1.00 0.00 C ATOM 166 CG ASP A 13 -2.670 -18.774 4.300 1.00 0.00 C ATOM 167 OD1 ASP A 13 -3.122 -18.828 5.463 1.00 0.00 O ATOM 168 OD2 ASP A 13 -1.463 -18.557 4.061 1.00 0.00 O ATOM 0 H ASP A 13 -6.707 -18.922 2.848 1.00 0.00 H new ATOM 0 HA ASP A 13 -5.212 -18.014 4.214 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -3.966 -20.007 3.124 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -3.084 -18.807 2.200 1.00 0.00 H new ATOM 173 N TYR A 14 -5.407 -15.810 2.455 1.00 0.00 N ATOM 174 CA TYR A 14 -5.149 -14.454 2.004 1.00 0.00 C ATOM 175 C TYR A 14 -5.110 -13.494 3.176 1.00 0.00 C ATOM 176 O TYR A 14 -6.124 -13.248 3.828 1.00 0.00 O ATOM 177 CB TYR A 14 -6.208 -14.020 0.997 1.00 0.00 C ATOM 178 CG TYR A 14 -5.904 -14.479 -0.404 1.00 0.00 C ATOM 179 CD1 TYR A 14 -4.694 -14.168 -1.002 1.00 0.00 C ATOM 180 CD2 TYR A 14 -6.820 -15.226 -1.124 1.00 0.00 C ATOM 181 CE1 TYR A 14 -4.403 -14.589 -2.281 1.00 0.00 C ATOM 182 CE2 TYR A 14 -6.538 -15.654 -2.405 1.00 0.00 C ATOM 183 CZ TYR A 14 -5.330 -15.327 -2.984 1.00 0.00 C ATOM 184 OH TYR A 14 -5.057 -15.747 -4.265 1.00 0.00 O ATOM 0 H TYR A 14 -6.393 -16.070 2.473 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.174 -14.436 1.517 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -7.177 -14.416 1.302 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -6.290 -12.933 1.009 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -3.966 -13.586 -0.456 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -7.770 -15.478 -0.676 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -3.453 -14.342 -2.731 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -7.260 -16.242 -2.952 1.00 0.00 H new ATOM 0 HH TYR A 14 -5.819 -16.256 -4.612 1.00 0.00 H new ATOM 194 N LYS A 15 -3.932 -12.964 3.436 1.00 0.00 N ATOM 195 CA LYS A 15 -3.733 -12.060 4.552 1.00 0.00 C ATOM 196 C LYS A 15 -3.817 -10.616 4.081 1.00 0.00 C ATOM 197 O LYS A 15 -3.441 -10.308 2.948 1.00 0.00 O ATOM 198 CB LYS A 15 -2.373 -12.319 5.207 1.00 0.00 C ATOM 199 CG LYS A 15 -2.393 -13.436 6.234 1.00 0.00 C ATOM 200 CD LYS A 15 -2.294 -14.805 5.573 1.00 0.00 C ATOM 201 CE LYS A 15 -0.848 -15.211 5.332 1.00 0.00 C ATOM 202 NZ LYS A 15 -0.604 -16.635 5.677 1.00 0.00 N ATOM 0 H LYS A 15 -3.092 -13.145 2.886 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.518 -12.237 5.287 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -1.647 -12.563 4.432 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -2.030 -11.402 5.687 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -1.564 -13.306 6.930 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -3.312 -13.378 6.818 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -2.781 -15.549 6.203 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -2.831 -14.791 4.624 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -0.594 -15.043 4.285 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -0.190 -14.576 5.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 0.359 -16.740 6.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -1.293 -16.942 6.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -0.707 -17.221 4.824 1.00 0.00 H new ATOM 216 N PRO A 16 -4.335 -9.723 4.931 1.00 0.00 N ATOM 217 CA PRO A 16 -4.372 -8.291 4.642 1.00 0.00 C ATOM 218 C PRO A 16 -2.968 -7.696 4.588 1.00 0.00 C ATOM 219 O PRO A 16 -2.206 -7.766 5.554 1.00 0.00 O ATOM 220 CB PRO A 16 -5.172 -7.698 5.806 1.00 0.00 C ATOM 221 CG PRO A 16 -5.057 -8.697 6.904 1.00 0.00 C ATOM 222 CD PRO A 16 -4.944 -10.039 6.236 1.00 0.00 C ATOM 0 HA PRO A 16 -4.818 -8.077 3.671 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -4.770 -6.731 6.109 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -6.213 -7.537 5.527 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -4.184 -8.496 7.524 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -5.928 -8.659 7.558 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -4.323 -10.724 6.813 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -5.919 -10.513 6.120 1.00 0.00 H new ATOM 230 N TYR A 17 -2.626 -7.130 3.448 1.00 0.00 N ATOM 231 CA TYR A 17 -1.312 -6.556 3.238 1.00 0.00 C ATOM 232 C TYR A 17 -1.425 -5.051 3.065 1.00 0.00 C ATOM 233 O TYR A 17 -2.251 -4.567 2.289 1.00 0.00 O ATOM 234 CB TYR A 17 -0.647 -7.168 1.998 1.00 0.00 C ATOM 235 CG TYR A 17 0.044 -8.492 2.249 1.00 0.00 C ATOM 236 CD1 TYR A 17 -0.535 -9.463 3.053 1.00 0.00 C ATOM 237 CD2 TYR A 17 1.275 -8.772 1.673 1.00 0.00 C ATOM 238 CE1 TYR A 17 0.091 -10.674 3.278 1.00 0.00 C ATOM 239 CE2 TYR A 17 1.908 -9.979 1.892 1.00 0.00 C ATOM 240 CZ TYR A 17 1.311 -10.927 2.697 1.00 0.00 C ATOM 241 OH TYR A 17 1.936 -12.136 2.917 1.00 0.00 O ATOM 0 H TYR A 17 -3.249 -7.055 2.644 1.00 0.00 H new ATOM 0 HA TYR A 17 -0.697 -6.776 4.111 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -1.404 -7.307 1.226 1.00 0.00 H new ATOM 0 HB3 TYR A 17 0.082 -6.460 1.605 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -1.493 -9.269 3.512 1.00 0.00 H new ATOM 0 HD2 TYR A 17 1.746 -8.033 1.042 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -0.376 -11.418 3.907 1.00 0.00 H new ATOM 0 HE2 TYR A 17 2.866 -10.180 1.435 1.00 0.00 H new ATOM 0 HH TYR A 17 2.789 -12.156 2.434 1.00 0.00 H new ATOM 251 N CYS A 18 -0.607 -4.320 3.794 1.00 0.00 N ATOM 252 CA CYS A 18 -0.593 -2.872 3.710 1.00 0.00 C ATOM 253 C CYS A 18 0.618 -2.423 2.909 1.00 0.00 C ATOM 254 O CYS A 18 1.760 -2.718 3.280 1.00 0.00 O ATOM 255 CB CYS A 18 -0.563 -2.257 5.111 1.00 0.00 C ATOM 256 SG CYS A 18 -0.617 -0.434 5.128 1.00 0.00 S ATOM 0 H CYS A 18 0.063 -4.708 4.458 1.00 0.00 H new ATOM 0 HA CYS A 18 -1.500 -2.534 3.208 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -1.409 -2.640 5.682 1.00 0.00 H new ATOM 0 HB3 CYS A 18 0.342 -2.587 5.621 1.00 0.00 H new ATOM 261 N CYS A 19 0.371 -1.753 1.793 1.00 0.00 N ATOM 262 CA CYS A 19 1.451 -1.245 0.963 1.00 0.00 C ATOM 263 C CYS A 19 1.075 0.092 0.340 1.00 0.00 C ATOM 264 O CYS A 19 -0.070 0.546 0.451 1.00 0.00 O ATOM 265 CB CYS A 19 1.807 -2.243 -0.144 1.00 0.00 C ATOM 266 SG CYS A 19 0.786 -3.752 -0.170 1.00 0.00 S ATOM 0 H CYS A 19 -0.565 -1.549 1.443 1.00 0.00 H new ATOM 0 HA CYS A 19 2.320 -1.105 1.606 1.00 0.00 H new ATOM 0 HB2 CYS A 19 1.715 -1.743 -1.108 1.00 0.00 H new ATOM 0 HB3 CYS A 19 2.852 -2.530 -0.032 1.00 0.00 H new ATOM 271 N GLN A 20 2.048 0.708 -0.319 1.00 0.00 N ATOM 272 CA GLN A 20 1.840 1.972 -1.004 1.00 0.00 C ATOM 273 C GLN A 20 1.172 1.742 -2.356 1.00 0.00 C ATOM 274 O GLN A 20 1.234 0.642 -2.912 1.00 0.00 O ATOM 275 CB GLN A 20 3.181 2.679 -1.189 1.00 0.00 C ATOM 276 CG GLN A 20 3.098 4.188 -1.063 1.00 0.00 C ATOM 277 CD GLN A 20 3.133 4.877 -2.409 1.00 0.00 C ATOM 278 OE1 GLN A 20 2.258 5.683 -2.734 1.00 0.00 O ATOM 279 NE2 GLN A 20 4.136 4.555 -3.204 1.00 0.00 N ATOM 0 H GLN A 20 2.999 0.345 -0.392 1.00 0.00 H new ATOM 0 HA GLN A 20 1.184 2.600 -0.401 1.00 0.00 H new ATOM 0 HB2 GLN A 20 3.886 2.300 -0.450 1.00 0.00 H new ATOM 0 HB3 GLN A 20 3.582 2.427 -2.171 1.00 0.00 H new ATOM 0 HG2 GLN A 20 2.179 4.457 -0.543 1.00 0.00 H new ATOM 0 HG3 GLN A 20 3.927 4.546 -0.452 1.00 0.00 H new ATOM 0 HE21 GLN A 20 4.838 3.883 -2.893 1.00 0.00 H new ATOM 0 HE22 GLN A 20 4.210 4.978 -4.129 1.00 0.00 H new ATOM 288 N SER A 21 0.539 2.780 -2.884 1.00 0.00 N ATOM 289 CA SER A 21 -0.239 2.653 -4.106 1.00 0.00 C ATOM 290 C SER A 21 0.289 3.552 -5.217 1.00 0.00 C ATOM 291 O SER A 21 0.061 4.763 -5.214 1.00 0.00 O ATOM 292 CB SER A 21 -1.700 2.991 -3.822 1.00 0.00 C ATOM 293 OG SER A 21 -1.913 3.220 -2.435 1.00 0.00 O ATOM 0 H SER A 21 0.549 3.719 -2.485 1.00 0.00 H new ATOM 0 HA SER A 21 -0.152 1.621 -4.447 1.00 0.00 H new ATOM 0 HB2 SER A 21 -1.988 3.877 -4.388 1.00 0.00 H new ATOM 0 HB3 SER A 21 -2.338 2.175 -4.161 1.00 0.00 H new ATOM 0 HG SER A 21 -2.578 2.585 -2.097 1.00 0.00 H new ATOM 299 N MET A 22 0.990 2.957 -6.169 1.00 0.00 N ATOM 300 CA MET A 22 1.431 3.680 -7.349 1.00 0.00 C ATOM 301 C MET A 22 0.284 3.785 -8.347 1.00 0.00 C ATOM 302 O MET A 22 -0.118 2.795 -8.962 1.00 0.00 O ATOM 303 CB MET A 22 2.627 2.984 -7.998 1.00 0.00 C ATOM 304 CG MET A 22 3.538 3.928 -8.769 1.00 0.00 C ATOM 305 SD MET A 22 5.088 3.151 -9.270 1.00 0.00 S ATOM 306 CE MET A 22 4.519 1.527 -9.779 1.00 0.00 C ATOM 0 H MET A 22 1.265 1.975 -6.147 1.00 0.00 H new ATOM 0 HA MET A 22 1.741 4.680 -7.047 1.00 0.00 H new ATOM 0 HB2 MET A 22 3.209 2.483 -7.224 1.00 0.00 H new ATOM 0 HB3 MET A 22 2.263 2.211 -8.675 1.00 0.00 H new ATOM 0 HG2 MET A 22 3.015 4.288 -9.655 1.00 0.00 H new ATOM 0 HG3 MET A 22 3.757 4.799 -8.152 1.00 0.00 H new ATOM 0 HE1 MET A 22 5.307 1.024 -10.340 1.00 0.00 H new ATOM 0 HE2 MET A 22 4.268 0.937 -8.898 1.00 0.00 H new ATOM 0 HE3 MET A 22 3.636 1.632 -10.409 1.00 0.00 H new ATOM 316 N SER A 23 -0.244 4.983 -8.498 1.00 0.00 N ATOM 317 CA SER A 23 -1.403 5.199 -9.349 1.00 0.00 C ATOM 318 C SER A 23 -1.020 5.953 -10.618 1.00 0.00 C ATOM 319 O SER A 23 -0.355 6.991 -10.561 1.00 0.00 O ATOM 320 CB SER A 23 -2.478 5.963 -8.574 1.00 0.00 C ATOM 321 OG SER A 23 -2.493 5.564 -7.211 1.00 0.00 O ATOM 0 H SER A 23 0.110 5.825 -8.043 1.00 0.00 H new ATOM 0 HA SER A 23 -1.800 4.229 -9.647 1.00 0.00 H new ATOM 0 HB2 SER A 23 -2.290 7.035 -8.642 1.00 0.00 H new ATOM 0 HB3 SER A 23 -3.455 5.781 -9.022 1.00 0.00 H new ATOM 0 HG SER A 23 -3.186 6.065 -6.731 1.00 0.00 H new ATOM 327 N GLY A 24 -1.437 5.421 -11.756 1.00 0.00 N ATOM 328 CA GLY A 24 -1.139 6.046 -13.026 1.00 0.00 C ATOM 329 C GLY A 24 -2.309 6.862 -13.536 1.00 0.00 C ATOM 330 O GLY A 24 -3.454 6.588 -13.171 1.00 0.00 O ATOM 0 H GLY A 24 -1.981 4.561 -11.822 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -0.266 6.689 -12.919 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.883 5.280 -13.758 1.00 0.00 H new ATOM 334 N PRO A 25 -2.049 7.880 -14.368 1.00 0.00 N ATOM 335 CA PRO A 25 -3.093 8.745 -14.922 1.00 0.00 C ATOM 336 C PRO A 25 -4.103 7.965 -15.755 1.00 0.00 C ATOM 337 O PRO A 25 -3.745 7.308 -16.736 1.00 0.00 O ATOM 338 CB PRO A 25 -2.323 9.733 -15.811 1.00 0.00 C ATOM 339 CG PRO A 25 -0.919 9.676 -15.315 1.00 0.00 C ATOM 340 CD PRO A 25 -0.712 8.272 -14.833 1.00 0.00 C ATOM 0 HA PRO A 25 -3.673 9.228 -14.136 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -2.383 9.450 -16.862 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -2.731 10.740 -15.729 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -0.214 9.925 -16.108 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -0.759 10.393 -14.510 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -0.355 7.620 -15.631 1.00 0.00 H new ATOM 0 HD3 PRO A 25 0.024 8.226 -14.030 1.00 0.00 H new ATOM 348 N ALA A 26 -5.359 8.022 -15.344 1.00 0.00 N ATOM 349 CA ALA A 26 -6.425 7.357 -16.072 1.00 0.00 C ATOM 350 C ALA A 26 -7.059 8.316 -17.071 1.00 0.00 C ATOM 351 O ALA A 26 -6.697 9.495 -17.126 1.00 0.00 O ATOM 352 CB ALA A 26 -7.472 6.822 -15.106 1.00 0.00 C ATOM 0 H ALA A 26 -5.665 8.522 -14.509 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.002 6.516 -16.621 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -8.265 6.326 -15.666 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -7.008 6.108 -14.425 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -7.894 7.648 -14.533 1.00 0.00 H new ATOM 358 N GLY A 27 -8.006 7.820 -17.850 1.00 0.00 N ATOM 359 CA GLY A 27 -8.651 8.647 -18.849 1.00 0.00 C ATOM 360 C GLY A 27 -7.865 8.670 -20.142 1.00 0.00 C ATOM 361 O GLY A 27 -7.989 7.760 -20.965 1.00 0.00 O ATOM 0 H GLY A 27 -8.341 6.857 -17.809 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -9.656 8.271 -19.040 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.757 9.663 -18.468 1.00 0.00 H new ATOM 365 N SER A 28 -7.046 9.693 -20.319 1.00 0.00 N ATOM 366 CA SER A 28 -6.213 9.806 -21.506 1.00 0.00 C ATOM 367 C SER A 28 -4.747 9.966 -21.114 1.00 0.00 C ATOM 368 O SER A 28 -4.243 11.084 -20.998 1.00 0.00 O ATOM 369 CB SER A 28 -6.666 10.990 -22.362 1.00 0.00 C ATOM 370 OG SER A 28 -7.833 11.595 -21.826 1.00 0.00 O ATOM 0 H SER A 28 -6.939 10.459 -19.654 1.00 0.00 H new ATOM 0 HA SER A 28 -6.318 8.892 -22.091 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.865 11.727 -22.420 1.00 0.00 H new ATOM 0 HB3 SER A 28 -6.863 10.652 -23.379 1.00 0.00 H new ATOM 0 HG SER A 28 -8.099 12.350 -22.392 1.00 0.00 H new ATOM 376 N PRO A 29 -4.046 8.844 -20.894 1.00 0.00 N ATOM 377 CA PRO A 29 -2.628 8.845 -20.532 1.00 0.00 C ATOM 378 C PRO A 29 -1.730 9.147 -21.733 1.00 0.00 C ATOM 379 O PRO A 29 -0.855 8.355 -22.082 1.00 0.00 O ATOM 380 CB PRO A 29 -2.379 7.414 -20.019 1.00 0.00 C ATOM 381 CG PRO A 29 -3.718 6.747 -19.985 1.00 0.00 C ATOM 382 CD PRO A 29 -4.574 7.481 -20.970 1.00 0.00 C ATOM 0 HA PRO A 29 -2.396 9.615 -19.796 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -1.693 6.878 -20.675 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -1.925 7.429 -19.028 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -3.635 5.693 -20.250 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -4.150 6.791 -18.985 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -4.484 7.066 -21.974 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -5.629 7.439 -20.701 1.00 0.00 H new ATOM 390 N GLY A 30 -1.953 10.300 -22.355 1.00 0.00 N ATOM 391 CA GLY A 30 -1.193 10.678 -23.530 1.00 0.00 C ATOM 392 C GLY A 30 0.206 11.142 -23.186 1.00 0.00 C ATOM 393 O GLY A 30 1.111 11.093 -24.022 1.00 0.00 O ATOM 0 H GLY A 30 -2.652 10.983 -22.063 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -1.134 9.829 -24.211 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -1.718 11.474 -24.058 1.00 0.00 H new ATOM 397 N LEU A 31 0.381 11.605 -21.957 1.00 0.00 N ATOM 398 CA LEU A 31 1.690 12.026 -21.486 1.00 0.00 C ATOM 399 C LEU A 31 2.409 10.847 -20.849 1.00 0.00 C ATOM 400 O LEU A 31 3.533 10.515 -21.222 1.00 0.00 O ATOM 401 CB LEU A 31 1.559 13.171 -20.478 1.00 0.00 C ATOM 402 CG LEU A 31 2.379 14.425 -20.798 1.00 0.00 C ATOM 403 CD1 LEU A 31 2.153 15.484 -19.733 1.00 0.00 C ATOM 404 CD2 LEU A 31 3.859 14.089 -20.903 1.00 0.00 C ATOM 0 H LEU A 31 -0.367 11.698 -21.269 1.00 0.00 H new ATOM 0 HA LEU A 31 2.270 12.384 -22.337 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.508 13.453 -20.408 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.857 12.804 -19.496 1.00 0.00 H new ATOM 0 HG LEU A 31 2.049 14.816 -21.760 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.741 16.371 -19.971 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.096 15.748 -19.700 1.00 0.00 H new ATOM 0 HD13 LEU A 31 2.460 15.095 -18.762 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.422 14.994 -21.131 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.206 13.674 -19.957 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.011 13.358 -21.697 1.00 0.00 H new ATOM 416 N LEU A 32 1.742 10.213 -19.897 1.00 0.00 N ATOM 417 CA LEU A 32 2.292 9.057 -19.209 1.00 0.00 C ATOM 418 C LEU A 32 1.178 8.107 -18.794 1.00 0.00 C ATOM 419 O LEU A 32 0.139 8.533 -18.293 1.00 0.00 O ATOM 420 CB LEU A 32 3.115 9.495 -17.990 1.00 0.00 C ATOM 421 CG LEU A 32 2.336 10.222 -16.891 1.00 0.00 C ATOM 422 CD1 LEU A 32 2.790 9.746 -15.520 1.00 0.00 C ATOM 423 CD2 LEU A 32 2.512 11.728 -17.015 1.00 0.00 C ATOM 0 H LEU A 32 0.810 10.483 -19.582 1.00 0.00 H new ATOM 0 HA LEU A 32 2.955 8.530 -19.895 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.584 8.612 -17.555 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.919 10.147 -18.332 1.00 0.00 H new ATOM 0 HG LEU A 32 1.277 9.990 -17.008 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.228 10.271 -14.748 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.615 8.674 -15.431 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.853 9.951 -15.397 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.950 12.226 -16.225 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.569 11.980 -16.923 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.143 12.059 -17.986 1.00 0.00 H new ATOM 435 N ASN A 33 1.392 6.822 -19.024 1.00 0.00 N ATOM 436 CA ASN A 33 0.410 5.806 -18.670 1.00 0.00 C ATOM 437 C ASN A 33 0.739 5.219 -17.307 1.00 0.00 C ATOM 438 O ASN A 33 -0.151 4.795 -16.567 1.00 0.00 O ATOM 439 CB ASN A 33 0.379 4.701 -19.732 1.00 0.00 C ATOM 440 CG ASN A 33 -0.507 3.531 -19.343 1.00 0.00 C ATOM 441 OD1 ASN A 33 -0.025 2.482 -18.916 1.00 0.00 O ATOM 442 ND2 ASN A 33 -1.809 3.698 -19.497 1.00 0.00 N ATOM 0 H ASN A 33 2.240 6.455 -19.456 1.00 0.00 H new ATOM 0 HA ASN A 33 -0.575 6.270 -18.626 1.00 0.00 H new ATOM 0 HB2 ASN A 33 0.026 5.120 -20.674 1.00 0.00 H new ATOM 0 HB3 ASN A 33 1.393 4.341 -19.904 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -2.452 2.943 -19.259 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -2.171 4.582 -19.854 1.00 0.00 H new ATOM 449 N LEU A 34 2.031 5.226 -16.989 1.00 0.00 N ATOM 450 CA LEU A 34 2.545 4.691 -15.738 1.00 0.00 C ATOM 451 C LEU A 34 2.290 3.193 -15.641 1.00 0.00 C ATOM 452 O LEU A 34 1.508 2.725 -14.811 1.00 0.00 O ATOM 453 CB LEU A 34 1.951 5.413 -14.525 1.00 0.00 C ATOM 454 CG LEU A 34 2.858 5.449 -13.294 1.00 0.00 C ATOM 455 CD1 LEU A 34 3.275 6.876 -12.981 1.00 0.00 C ATOM 456 CD2 LEU A 34 2.165 4.817 -12.097 1.00 0.00 C ATOM 0 H LEU A 34 2.754 5.607 -17.600 1.00 0.00 H new ATOM 0 HA LEU A 34 3.621 4.862 -15.733 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.709 6.437 -14.811 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.013 4.928 -14.254 1.00 0.00 H new ATOM 0 HG LEU A 34 3.755 4.870 -13.512 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.920 6.882 -12.102 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.816 7.292 -13.831 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.389 7.479 -12.785 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.828 4.853 -11.232 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.249 5.365 -11.876 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.921 3.779 -12.324 1.00 0.00 H new ATOM 468 N ILE A 35 2.948 2.447 -16.510 1.00 0.00 N ATOM 469 CA ILE A 35 2.924 0.998 -16.443 1.00 0.00 C ATOM 470 C ILE A 35 4.077 0.539 -15.568 1.00 0.00 C ATOM 471 O ILE A 35 5.183 1.070 -15.681 1.00 0.00 O ATOM 472 CB ILE A 35 3.047 0.340 -17.840 1.00 0.00 C ATOM 473 CG1 ILE A 35 3.538 1.350 -18.880 1.00 0.00 C ATOM 474 CG2 ILE A 35 1.714 -0.253 -18.268 1.00 0.00 C ATOM 475 CD1 ILE A 35 4.861 0.978 -19.511 1.00 0.00 C ATOM 0 H ILE A 35 3.508 2.824 -17.274 1.00 0.00 H new ATOM 0 HA ILE A 35 1.964 0.693 -16.026 1.00 0.00 H new ATOM 0 HB ILE A 35 3.781 -0.463 -17.772 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.786 1.446 -19.663 1.00 0.00 H new ATOM 0 HG13 ILE A 35 3.633 2.328 -18.408 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.819 -0.711 -19.252 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.404 -1.009 -17.547 1.00 0.00 H new ATOM 0 HG23 ILE A 35 0.963 0.535 -18.313 1.00 0.00 H new ATOM 0 HD11 ILE A 35 5.145 1.740 -20.237 1.00 0.00 H new ATOM 0 HD12 ILE A 35 5.627 0.910 -18.738 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.767 0.015 -20.013 1.00 0.00 H new ATOM 487 N PRO A 36 3.837 -0.422 -14.662 1.00 0.00 N ATOM 488 CA PRO A 36 4.869 -0.890 -13.733 1.00 0.00 C ATOM 489 C PRO A 36 6.120 -1.373 -14.465 1.00 0.00 C ATOM 490 O PRO A 36 6.063 -2.282 -15.296 1.00 0.00 O ATOM 491 CB PRO A 36 4.193 -2.048 -12.984 1.00 0.00 C ATOM 492 CG PRO A 36 2.976 -2.387 -13.779 1.00 0.00 C ATOM 493 CD PRO A 36 2.563 -1.119 -14.468 1.00 0.00 C ATOM 0 HA PRO A 36 5.214 -0.096 -13.071 1.00 0.00 H new ATOM 0 HB2 PRO A 36 4.861 -2.906 -12.905 1.00 0.00 H new ATOM 0 HB3 PRO A 36 3.928 -1.756 -11.968 1.00 0.00 H new ATOM 0 HG2 PRO A 36 3.190 -3.172 -14.504 1.00 0.00 H new ATOM 0 HG3 PRO A 36 2.179 -2.757 -13.134 1.00 0.00 H new ATOM 0 HD2 PRO A 36 2.063 -1.319 -15.416 1.00 0.00 H new ATOM 0 HD3 PRO A 36 1.872 -0.535 -13.860 1.00 0.00 H new ATOM 501 N VAL A 37 7.247 -0.760 -14.141 1.00 0.00 N ATOM 502 CA VAL A 37 8.517 -1.101 -14.763 1.00 0.00 C ATOM 503 C VAL A 37 9.282 -2.089 -13.895 1.00 0.00 C ATOM 504 O VAL A 37 10.066 -1.696 -13.031 1.00 0.00 O ATOM 505 CB VAL A 37 9.395 0.146 -15.007 1.00 0.00 C ATOM 506 CG1 VAL A 37 10.208 -0.018 -16.279 1.00 0.00 C ATOM 507 CG2 VAL A 37 8.550 1.409 -15.076 1.00 0.00 C ATOM 0 H VAL A 37 7.308 -0.017 -13.445 1.00 0.00 H new ATOM 0 HA VAL A 37 8.289 -1.552 -15.729 1.00 0.00 H new ATOM 0 HB VAL A 37 10.079 0.245 -14.164 1.00 0.00 H new ATOM 0 HG11 VAL A 37 10.821 0.870 -16.436 1.00 0.00 H new ATOM 0 HG12 VAL A 37 10.852 -0.893 -16.189 1.00 0.00 H new ATOM 0 HG13 VAL A 37 9.535 -0.149 -17.127 1.00 0.00 H new ATOM 0 HG21 VAL A 37 9.196 2.270 -15.249 1.00 0.00 H new ATOM 0 HG22 VAL A 37 7.834 1.323 -15.893 1.00 0.00 H new ATOM 0 HG23 VAL A 37 8.014 1.540 -14.136 1.00 0.00 H new ATOM 517 N ASP A 38 9.032 -3.367 -14.113 1.00 0.00 N ATOM 518 CA ASP A 38 9.674 -4.415 -13.336 1.00 0.00 C ATOM 519 C ASP A 38 9.962 -5.619 -14.217 1.00 0.00 C ATOM 520 O ASP A 38 9.490 -5.694 -15.354 1.00 0.00 O ATOM 521 CB ASP A 38 8.786 -4.828 -12.158 1.00 0.00 C ATOM 522 CG ASP A 38 9.569 -5.508 -11.052 1.00 0.00 C ATOM 523 OD1 ASP A 38 9.769 -6.736 -11.130 1.00 0.00 O ATOM 524 OD2 ASP A 38 9.993 -4.813 -10.107 1.00 0.00 O ATOM 0 H ASP A 38 8.386 -3.707 -14.825 1.00 0.00 H new ATOM 0 HA ASP A 38 10.615 -4.029 -12.945 1.00 0.00 H new ATOM 0 HB2 ASP A 38 8.287 -3.946 -11.756 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.006 -5.501 -12.514 1.00 0.00 H new ATOM 529 N LEU A 39 10.727 -6.560 -13.692 1.00 0.00 N ATOM 530 CA LEU A 39 11.055 -7.768 -14.424 1.00 0.00 C ATOM 531 C LEU A 39 10.087 -8.886 -14.064 1.00 0.00 C ATOM 532 O LEU A 39 9.930 -9.849 -14.811 1.00 0.00 O ATOM 533 CB LEU A 39 12.490 -8.201 -14.126 1.00 0.00 C ATOM 534 CG LEU A 39 13.399 -8.309 -15.349 1.00 0.00 C ATOM 535 CD1 LEU A 39 14.447 -7.210 -15.328 1.00 0.00 C ATOM 536 CD2 LEU A 39 14.060 -9.676 -15.398 1.00 0.00 C ATOM 0 H LEU A 39 11.133 -6.509 -12.758 1.00 0.00 H new ATOM 0 HA LEU A 39 10.968 -7.558 -15.490 1.00 0.00 H new ATOM 0 HB2 LEU A 39 12.930 -7.490 -13.427 1.00 0.00 H new ATOM 0 HB3 LEU A 39 12.465 -9.168 -13.624 1.00 0.00 H new ATOM 0 HG LEU A 39 12.791 -8.188 -16.246 1.00 0.00 H new ATOM 0 HD11 LEU A 39 15.087 -7.301 -16.206 1.00 0.00 H new ATOM 0 HD12 LEU A 39 13.955 -6.238 -15.337 1.00 0.00 H new ATOM 0 HD13 LEU A 39 15.053 -7.302 -14.426 1.00 0.00 H new ATOM 0 HD21 LEU A 39 14.704 -9.737 -16.275 1.00 0.00 H new ATOM 0 HD22 LEU A 39 14.657 -9.824 -14.498 1.00 0.00 H new ATOM 0 HD23 LEU A 39 13.294 -10.449 -15.456 1.00 0.00 H new ATOM 548 N SER A 40 9.445 -8.759 -12.911 1.00 0.00 N ATOM 549 CA SER A 40 8.482 -9.747 -12.464 1.00 0.00 C ATOM 550 C SER A 40 7.336 -9.092 -11.688 1.00 0.00 C ATOM 551 O SER A 40 6.208 -9.039 -12.181 1.00 0.00 O ATOM 552 CB SER A 40 9.177 -10.812 -11.613 1.00 0.00 C ATOM 553 OG SER A 40 10.203 -11.459 -12.354 1.00 0.00 O ATOM 0 H SER A 40 9.577 -7.978 -12.269 1.00 0.00 H new ATOM 0 HA SER A 40 8.052 -10.228 -13.342 1.00 0.00 H new ATOM 0 HB2 SER A 40 9.602 -10.351 -10.721 1.00 0.00 H new ATOM 0 HB3 SER A 40 8.447 -11.548 -11.275 1.00 0.00 H new ATOM 0 HG SER A 40 10.636 -12.135 -11.792 1.00 0.00 H new ATOM 559 N ALA A 41 7.622 -8.569 -10.498 1.00 0.00 N ATOM 560 CA ALA A 41 6.581 -7.992 -9.653 1.00 0.00 C ATOM 561 C ALA A 41 7.161 -7.114 -8.549 1.00 0.00 C ATOM 562 O ALA A 41 7.751 -7.611 -7.585 1.00 0.00 O ATOM 563 CB ALA A 41 5.723 -9.090 -9.039 1.00 0.00 C ATOM 0 H ALA A 41 8.560 -8.533 -10.099 1.00 0.00 H new ATOM 0 HA ALA A 41 5.963 -7.362 -10.292 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.952 -8.642 -8.412 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.253 -9.671 -9.832 1.00 0.00 H new ATOM 0 HB3 ALA A 41 6.349 -9.744 -8.432 1.00 0.00 H new ATOM 569 N SER A 42 6.982 -5.808 -8.692 1.00 0.00 N ATOM 570 CA SER A 42 7.394 -4.862 -7.665 1.00 0.00 C ATOM 571 C SER A 42 6.332 -4.766 -6.577 1.00 0.00 C ATOM 572 O SER A 42 5.399 -3.965 -6.678 1.00 0.00 O ATOM 573 CB SER A 42 7.617 -3.478 -8.275 1.00 0.00 C ATOM 574 OG SER A 42 8.997 -3.186 -8.402 1.00 0.00 O ATOM 0 H SER A 42 6.553 -5.379 -9.512 1.00 0.00 H new ATOM 0 HA SER A 42 8.327 -5.218 -7.228 1.00 0.00 H new ATOM 0 HB2 SER A 42 7.142 -3.430 -9.255 1.00 0.00 H new ATOM 0 HB3 SER A 42 7.139 -2.722 -7.651 1.00 0.00 H new ATOM 0 HG SER A 42 9.318 -3.498 -9.274 1.00 0.00 H new ATOM 580 N LEU A 43 6.470 -5.575 -5.541 1.00 0.00 N ATOM 581 CA LEU A 43 5.519 -5.559 -4.447 1.00 0.00 C ATOM 582 C LEU A 43 6.231 -5.674 -3.108 1.00 0.00 C ATOM 583 O LEU A 43 6.697 -6.748 -2.727 1.00 0.00 O ATOM 584 CB LEU A 43 4.504 -6.693 -4.599 1.00 0.00 C ATOM 585 CG LEU A 43 3.062 -6.253 -4.892 1.00 0.00 C ATOM 586 CD1 LEU A 43 2.767 -4.903 -4.249 1.00 0.00 C ATOM 587 CD2 LEU A 43 2.816 -6.192 -6.393 1.00 0.00 C ATOM 0 H LEU A 43 7.229 -6.248 -5.436 1.00 0.00 H new ATOM 0 HA LEU A 43 4.989 -4.607 -4.477 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.836 -7.349 -5.404 1.00 0.00 H new ATOM 0 HB3 LEU A 43 4.506 -7.285 -3.684 1.00 0.00 H new ATOM 0 HG LEU A 43 2.387 -6.992 -4.460 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.740 -4.611 -4.470 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.899 -4.978 -3.170 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.451 -4.153 -4.647 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.789 -5.878 -6.581 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.502 -5.476 -6.845 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.980 -7.177 -6.829 1.00 0.00 H new ATOM 599 N GLY A 44 6.316 -4.557 -2.406 1.00 0.00 N ATOM 600 CA GLY A 44 6.895 -4.547 -1.081 1.00 0.00 C ATOM 601 C GLY A 44 5.830 -4.337 -0.030 1.00 0.00 C ATOM 602 O GLY A 44 5.691 -3.246 0.522 1.00 0.00 O ATOM 0 H GLY A 44 5.991 -3.648 -2.734 1.00 0.00 H new ATOM 0 HA2 GLY A 44 7.412 -5.489 -0.898 1.00 0.00 H new ATOM 0 HA3 GLY A 44 7.641 -3.756 -1.012 1.00 0.00 H new ATOM 606 N CYS A 45 5.064 -5.379 0.227 1.00 0.00 N ATOM 607 CA CYS A 45 3.946 -5.295 1.149 1.00 0.00 C ATOM 608 C CYS A 45 4.281 -5.951 2.477 1.00 0.00 C ATOM 609 O CYS A 45 5.160 -6.809 2.558 1.00 0.00 O ATOM 610 CB CYS A 45 2.718 -5.973 0.545 1.00 0.00 C ATOM 611 SG CYS A 45 2.043 -5.149 -0.934 1.00 0.00 S ATOM 0 H CYS A 45 5.196 -6.300 -0.192 1.00 0.00 H new ATOM 0 HA CYS A 45 3.735 -4.240 1.325 1.00 0.00 H new ATOM 0 HB2 CYS A 45 2.977 -6.999 0.286 1.00 0.00 H new ATOM 0 HB3 CYS A 45 1.937 -6.023 1.304 1.00 0.00 H new ATOM 616 N VAL A 46 3.576 -5.540 3.518 1.00 0.00 N ATOM 617 CA VAL A 46 3.716 -6.152 4.825 1.00 0.00 C ATOM 618 C VAL A 46 2.336 -6.462 5.394 1.00 0.00 C ATOM 619 O VAL A 46 1.337 -5.900 4.941 1.00 0.00 O ATOM 620 CB VAL A 46 4.527 -5.250 5.792 1.00 0.00 C ATOM 621 CG1 VAL A 46 3.624 -4.376 6.653 1.00 0.00 C ATOM 622 CG2 VAL A 46 5.453 -6.094 6.656 1.00 0.00 C ATOM 0 H VAL A 46 2.897 -4.780 3.480 1.00 0.00 H new ATOM 0 HA VAL A 46 4.273 -7.082 4.714 1.00 0.00 H new ATOM 0 HB VAL A 46 5.133 -4.578 5.183 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.235 -3.762 7.314 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.023 -3.731 6.012 1.00 0.00 H new ATOM 0 HG13 VAL A 46 2.967 -5.009 7.250 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.015 -5.446 7.329 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.863 -6.799 7.241 1.00 0.00 H new ATOM 0 HG23 VAL A 46 6.146 -6.643 6.018 1.00 0.00 H new ATOM 632 N VAL A 47 2.280 -7.365 6.360 1.00 0.00 N ATOM 633 CA VAL A 47 1.012 -7.770 6.951 1.00 0.00 C ATOM 634 C VAL A 47 0.402 -6.630 7.757 1.00 0.00 C ATOM 635 O VAL A 47 1.012 -6.127 8.704 1.00 0.00 O ATOM 636 CB VAL A 47 1.170 -9.010 7.859 1.00 0.00 C ATOM 637 CG1 VAL A 47 -0.179 -9.447 8.416 1.00 0.00 C ATOM 638 CG2 VAL A 47 1.825 -10.148 7.093 1.00 0.00 C ATOM 0 H VAL A 47 3.097 -7.832 6.752 1.00 0.00 H new ATOM 0 HA VAL A 47 0.348 -8.029 6.126 1.00 0.00 H new ATOM 0 HB VAL A 47 1.813 -8.741 8.697 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.044 -10.322 9.052 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.611 -8.635 9.002 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -0.849 -9.697 7.593 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.929 -11.014 7.747 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.206 -10.413 6.236 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.810 -9.834 6.747 1.00 0.00 H new ATOM 648 N GLY A 48 -0.794 -6.220 7.362 1.00 0.00 N ATOM 649 CA GLY A 48 -1.501 -5.182 8.077 1.00 0.00 C ATOM 650 C GLY A 48 -2.368 -5.770 9.165 1.00 0.00 C ATOM 651 O GLY A 48 -3.343 -6.465 8.881 1.00 0.00 O ATOM 0 H GLY A 48 -1.290 -6.592 6.552 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.786 -4.484 8.514 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -2.119 -4.613 7.382 1.00 0.00 H new ATOM 655 N VAL A 49 -2.007 -5.509 10.411 1.00 0.00 N ATOM 656 CA VAL A 49 -2.703 -6.109 11.536 1.00 0.00 C ATOM 657 C VAL A 49 -4.032 -5.407 11.814 1.00 0.00 C ATOM 658 O VAL A 49 -4.205 -4.220 11.519 1.00 0.00 O ATOM 659 CB VAL A 49 -1.823 -6.131 12.809 1.00 0.00 C ATOM 660 CG1 VAL A 49 -2.019 -4.882 13.662 1.00 0.00 C ATOM 661 CG2 VAL A 49 -2.103 -7.388 13.618 1.00 0.00 C ATOM 0 H VAL A 49 -1.239 -4.888 10.668 1.00 0.00 H new ATOM 0 HA VAL A 49 -2.917 -7.141 11.259 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.780 -6.139 12.491 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.382 -4.941 14.545 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.753 -3.999 13.081 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -3.062 -4.813 13.971 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -1.478 -7.393 14.511 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -3.153 -7.407 13.910 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -1.879 -8.267 13.014 1.00 0.00 H new ATOM 671 N ILE A 50 -4.965 -6.169 12.359 1.00 0.00 N ATOM 672 CA ILE A 50 -6.280 -5.664 12.718 1.00 0.00 C ATOM 673 C ILE A 50 -6.166 -4.517 13.714 1.00 0.00 C ATOM 674 O ILE A 50 -5.550 -4.656 14.771 1.00 0.00 O ATOM 675 CB ILE A 50 -7.153 -6.788 13.320 1.00 0.00 C ATOM 676 CG1 ILE A 50 -7.239 -7.967 12.349 1.00 0.00 C ATOM 677 CG2 ILE A 50 -8.545 -6.273 13.657 1.00 0.00 C ATOM 678 CD1 ILE A 50 -6.196 -9.036 12.596 1.00 0.00 C ATOM 0 H ILE A 50 -4.832 -7.159 12.566 1.00 0.00 H new ATOM 0 HA ILE A 50 -6.754 -5.296 11.808 1.00 0.00 H new ATOM 0 HB ILE A 50 -6.686 -7.128 14.244 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -8.230 -8.415 12.422 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -7.132 -7.596 11.330 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -9.140 -7.083 14.079 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -8.468 -5.463 14.382 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -9.026 -5.904 12.751 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -6.319 -9.839 11.870 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -5.201 -8.604 12.494 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -6.316 -9.436 13.603 1.00 0.00 H new ATOM 690 N GLY A 51 -6.745 -3.382 13.363 1.00 0.00 N ATOM 691 CA GLY A 51 -6.703 -2.232 14.234 1.00 0.00 C ATOM 692 C GLY A 51 -5.917 -1.088 13.633 1.00 0.00 C ATOM 693 O GLY A 51 -6.129 0.070 13.988 1.00 0.00 O ATOM 0 H GLY A 51 -7.245 -3.237 12.486 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -7.720 -1.901 14.445 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.256 -2.516 15.187 1.00 0.00 H new ATOM 697 N SER A 52 -5.014 -1.410 12.717 1.00 0.00 N ATOM 698 CA SER A 52 -4.205 -0.393 12.065 1.00 0.00 C ATOM 699 C SER A 52 -4.963 0.238 10.902 1.00 0.00 C ATOM 700 O SER A 52 -5.804 -0.410 10.267 1.00 0.00 O ATOM 701 CB SER A 52 -2.892 -1.002 11.579 1.00 0.00 C ATOM 702 OG SER A 52 -2.258 -1.731 12.618 1.00 0.00 O ATOM 0 H SER A 52 -4.825 -2.364 12.410 1.00 0.00 H new ATOM 0 HA SER A 52 -3.983 0.391 12.789 1.00 0.00 H new ATOM 0 HB2 SER A 52 -3.083 -1.660 10.732 1.00 0.00 H new ATOM 0 HB3 SER A 52 -2.229 -0.212 11.226 1.00 0.00 H new ATOM 0 HG SER A 52 -1.352 -1.978 12.338 1.00 0.00 H new ATOM 708 N GLN A 53 -4.672 1.502 10.634 1.00 0.00 N ATOM 709 CA GLN A 53 -5.320 2.233 9.558 1.00 0.00 C ATOM 710 C GLN A 53 -4.304 2.583 8.483 1.00 0.00 C ATOM 711 O GLN A 53 -3.322 3.276 8.749 1.00 0.00 O ATOM 712 CB GLN A 53 -5.975 3.511 10.090 1.00 0.00 C ATOM 713 CG GLN A 53 -6.714 3.321 11.405 1.00 0.00 C ATOM 714 CD GLN A 53 -6.456 4.443 12.389 1.00 0.00 C ATOM 715 OE1 GLN A 53 -5.624 4.321 13.291 1.00 0.00 O ATOM 716 NE2 GLN A 53 -7.170 5.545 12.224 1.00 0.00 N ATOM 0 H GLN A 53 -3.984 2.047 11.154 1.00 0.00 H new ATOM 0 HA GLN A 53 -6.095 1.599 9.128 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -5.207 4.273 10.222 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -6.673 3.888 9.343 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.784 3.254 11.209 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -6.412 2.374 11.853 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -7.848 5.604 11.464 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -7.042 6.335 12.856 1.00 0.00 H new ATOM 725 N CYS A 54 -4.537 2.109 7.278 1.00 0.00 N ATOM 726 CA CYS A 54 -3.619 2.350 6.179 1.00 0.00 C ATOM 727 C CYS A 54 -4.238 3.303 5.165 1.00 0.00 C ATOM 728 O CYS A 54 -5.194 2.948 4.476 1.00 0.00 O ATOM 729 CB CYS A 54 -3.237 1.033 5.499 1.00 0.00 C ATOM 730 SG CYS A 54 -2.084 0.001 6.461 1.00 0.00 S ATOM 0 H CYS A 54 -5.356 1.553 7.031 1.00 0.00 H new ATOM 0 HA CYS A 54 -2.716 2.808 6.583 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -4.144 0.461 5.306 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -2.787 1.254 4.531 1.00 0.00 H new ATOM 735 N GLY A 55 -3.699 4.514 5.084 1.00 0.00 N ATOM 736 CA GLY A 55 -4.173 5.481 4.112 1.00 0.00 C ATOM 737 C GLY A 55 -3.526 5.282 2.756 1.00 0.00 C ATOM 738 O GLY A 55 -2.967 6.216 2.181 1.00 0.00 O ATOM 0 H GLY A 55 -2.938 4.845 5.678 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -5.255 5.397 4.014 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.963 6.489 4.470 1.00 0.00 H new ATOM 742 N ALA A 56 -3.600 4.059 2.254 1.00 0.00 N ATOM 743 CA ALA A 56 -2.994 3.707 0.980 1.00 0.00 C ATOM 744 C ALA A 56 -3.803 2.604 0.303 1.00 0.00 C ATOM 745 O ALA A 56 -4.953 2.825 -0.081 1.00 0.00 O ATOM 746 CB ALA A 56 -1.545 3.281 1.186 1.00 0.00 C ATOM 0 H ALA A 56 -4.079 3.286 2.716 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.998 4.580 0.328 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.102 3.020 0.225 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.984 4.102 1.633 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.511 2.416 1.848 1.00 0.00 H new ATOM 752 N SER A 57 -3.219 1.420 0.172 1.00 0.00 N ATOM 753 CA SER A 57 -3.923 0.300 -0.429 1.00 0.00 C ATOM 754 C SER A 57 -3.804 -0.949 0.432 1.00 0.00 C ATOM 755 O SER A 57 -2.702 -1.430 0.705 1.00 0.00 O ATOM 756 CB SER A 57 -3.381 0.024 -1.832 1.00 0.00 C ATOM 757 OG SER A 57 -3.730 1.070 -2.720 1.00 0.00 O ATOM 0 H SER A 57 -2.266 1.213 0.472 1.00 0.00 H new ATOM 0 HA SER A 57 -4.978 0.565 -0.500 1.00 0.00 H new ATOM 0 HB2 SER A 57 -2.297 -0.080 -1.794 1.00 0.00 H new ATOM 0 HB3 SER A 57 -3.779 -0.921 -2.201 1.00 0.00 H new ATOM 0 HG SER A 57 -3.744 0.728 -3.638 1.00 0.00 H new ATOM 763 N VAL A 58 -4.948 -1.451 0.875 1.00 0.00 N ATOM 764 CA VAL A 58 -4.995 -2.702 1.609 1.00 0.00 C ATOM 765 C VAL A 58 -5.492 -3.808 0.691 1.00 0.00 C ATOM 766 O VAL A 58 -6.630 -3.775 0.220 1.00 0.00 O ATOM 767 CB VAL A 58 -5.907 -2.618 2.850 1.00 0.00 C ATOM 768 CG1 VAL A 58 -5.822 -3.900 3.665 1.00 0.00 C ATOM 769 CG2 VAL A 58 -5.537 -1.423 3.708 1.00 0.00 C ATOM 0 H VAL A 58 -5.856 -1.008 0.737 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.985 -2.918 1.957 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.934 -2.492 2.508 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -6.472 -3.821 4.536 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -6.139 -4.743 3.051 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -4.794 -4.055 3.993 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -6.193 -1.383 4.578 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.502 -1.518 4.038 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -5.650 -0.508 3.126 1.00 0.00 H new ATOM 779 N LYS A 59 -4.628 -4.767 0.421 1.00 0.00 N ATOM 780 CA LYS A 59 -4.957 -5.866 -0.472 1.00 0.00 C ATOM 781 C LYS A 59 -4.734 -7.190 0.238 1.00 0.00 C ATOM 782 O LYS A 59 -4.169 -7.222 1.323 1.00 0.00 O ATOM 783 CB LYS A 59 -4.102 -5.801 -1.737 1.00 0.00 C ATOM 784 CG LYS A 59 -2.617 -5.690 -1.456 1.00 0.00 C ATOM 785 CD LYS A 59 -1.971 -4.632 -2.332 1.00 0.00 C ATOM 786 CE LYS A 59 -1.387 -5.244 -3.592 1.00 0.00 C ATOM 787 NZ LYS A 59 -1.005 -4.213 -4.592 1.00 0.00 N ATOM 0 H LYS A 59 -3.686 -4.809 0.809 1.00 0.00 H new ATOM 0 HA LYS A 59 -6.006 -5.784 -0.758 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.285 -6.693 -2.336 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.416 -4.945 -2.335 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.460 -5.442 -0.406 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.138 -6.653 -1.631 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -2.710 -3.877 -2.600 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -1.185 -4.124 -1.773 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -0.511 -5.838 -3.333 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -2.115 -5.925 -4.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -0.611 -4.677 -5.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -1.845 -3.662 -4.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -0.291 -3.578 -4.181 1.00 0.00 H new ATOM 801 N CYS A 60 -5.178 -8.273 -0.364 1.00 0.00 N ATOM 802 CA CYS A 60 -4.972 -9.586 0.218 1.00 0.00 C ATOM 803 C CYS A 60 -3.976 -10.363 -0.621 1.00 0.00 C ATOM 804 O CYS A 60 -4.182 -10.568 -1.816 1.00 0.00 O ATOM 805 CB CYS A 60 -6.295 -10.338 0.323 1.00 0.00 C ATOM 806 SG CYS A 60 -7.449 -9.618 1.531 1.00 0.00 S ATOM 0 H CYS A 60 -5.681 -8.273 -1.251 1.00 0.00 H new ATOM 0 HA CYS A 60 -4.571 -9.472 1.225 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -6.772 -10.355 -0.657 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -6.094 -11.373 0.598 1.00 0.00 H new ATOM 811 N CYS A 61 -2.886 -10.768 -0.004 1.00 0.00 N ATOM 812 CA CYS A 61 -1.845 -11.473 -0.720 1.00 0.00 C ATOM 813 C CYS A 61 -1.469 -12.755 0.000 1.00 0.00 C ATOM 814 O CYS A 61 -1.548 -12.843 1.228 1.00 0.00 O ATOM 815 CB CYS A 61 -0.616 -10.579 -0.890 1.00 0.00 C ATOM 816 SG CYS A 61 0.146 -10.655 -2.546 1.00 0.00 S ATOM 0 H CYS A 61 -2.698 -10.622 0.988 1.00 0.00 H new ATOM 0 HA CYS A 61 -2.227 -11.734 -1.707 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -0.900 -9.548 -0.681 1.00 0.00 H new ATOM 0 HB3 CYS A 61 0.130 -10.861 -0.147 1.00 0.00 H new ATOM 821 N LYS A 62 -1.095 -13.750 -0.781 1.00 0.00 N ATOM 822 CA LYS A 62 -0.611 -15.003 -0.263 1.00 0.00 C ATOM 823 C LYS A 62 0.642 -15.417 -1.017 1.00 0.00 C ATOM 824 O LYS A 62 0.689 -15.384 -2.254 1.00 0.00 O ATOM 825 CB LYS A 62 -1.673 -16.094 -0.375 1.00 0.00 C ATOM 826 CG LYS A 62 -1.370 -17.313 0.475 1.00 0.00 C ATOM 827 CD LYS A 62 -1.112 -18.542 -0.376 1.00 0.00 C ATOM 828 CE LYS A 62 -1.662 -19.787 0.290 1.00 0.00 C ATOM 829 NZ LYS A 62 -2.083 -20.808 -0.702 1.00 0.00 N ATOM 0 H LYS A 62 -1.121 -13.705 -1.800 1.00 0.00 H new ATOM 0 HA LYS A 62 -0.375 -14.870 0.793 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.639 -15.684 -0.079 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.762 -16.399 -1.418 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -0.499 -17.114 1.099 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -2.207 -17.505 1.147 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -1.574 -18.415 -1.355 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.041 -18.656 -0.541 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -0.904 -20.212 0.948 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -2.512 -19.518 0.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -1.737 -21.743 -0.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -3.121 -20.826 -0.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -1.686 -20.571 -1.634 1.00 0.00 H new ATOM 843 N ASP A 63 1.652 -15.772 -0.257 1.00 0.00 N ATOM 844 CA ASP A 63 2.915 -16.257 -0.788 1.00 0.00 C ATOM 845 C ASP A 63 3.708 -16.874 0.347 1.00 0.00 C ATOM 846 O ASP A 63 3.253 -16.866 1.491 1.00 0.00 O ATOM 847 CB ASP A 63 3.711 -15.123 -1.433 1.00 0.00 C ATOM 848 CG ASP A 63 4.014 -15.396 -2.890 1.00 0.00 C ATOM 849 OD1 ASP A 63 4.301 -16.566 -3.230 1.00 0.00 O ATOM 850 OD2 ASP A 63 3.966 -14.445 -3.698 1.00 0.00 O ATOM 0 H ASP A 63 1.624 -15.733 0.762 1.00 0.00 H new ATOM 0 HA ASP A 63 2.720 -17.002 -1.559 1.00 0.00 H new ATOM 0 HB2 ASP A 63 3.149 -14.193 -1.348 1.00 0.00 H new ATOM 0 HB3 ASP A 63 4.645 -14.982 -0.889 1.00 0.00 H new ATOM 855 N ASP A 64 4.879 -17.406 0.052 1.00 0.00 N ATOM 856 CA ASP A 64 5.677 -18.050 1.081 1.00 0.00 C ATOM 857 C ASP A 64 7.003 -17.338 1.272 1.00 0.00 C ATOM 858 O ASP A 64 7.927 -17.491 0.475 1.00 0.00 O ATOM 859 CB ASP A 64 5.911 -19.520 0.749 1.00 0.00 C ATOM 860 CG ASP A 64 5.959 -20.377 1.994 1.00 0.00 C ATOM 861 OD1 ASP A 64 5.064 -20.233 2.856 1.00 0.00 O ATOM 862 OD2 ASP A 64 6.888 -21.202 2.120 1.00 0.00 O ATOM 0 H ASP A 64 5.296 -17.406 -0.879 1.00 0.00 H new ATOM 0 HA ASP A 64 5.119 -17.990 2.015 1.00 0.00 H new ATOM 0 HB2 ASP A 64 5.116 -19.875 0.094 1.00 0.00 H new ATOM 0 HB3 ASP A 64 6.847 -19.624 0.200 1.00 0.00 H new ATOM 867 N VAL A 65 7.085 -16.544 2.327 1.00 0.00 N ATOM 868 CA VAL A 65 8.315 -15.846 2.664 1.00 0.00 C ATOM 869 C VAL A 65 8.904 -16.429 3.936 1.00 0.00 C ATOM 870 O VAL A 65 8.176 -16.983 4.762 1.00 0.00 O ATOM 871 CB VAL A 65 8.098 -14.333 2.873 1.00 0.00 C ATOM 872 CG1 VAL A 65 9.270 -13.544 2.310 1.00 0.00 C ATOM 873 CG2 VAL A 65 6.787 -13.871 2.251 1.00 0.00 C ATOM 0 H VAL A 65 6.311 -16.366 2.967 1.00 0.00 H new ATOM 0 HA VAL A 65 8.995 -15.978 1.822 1.00 0.00 H new ATOM 0 HB VAL A 65 8.039 -14.147 3.945 1.00 0.00 H new ATOM 0 HG11 VAL A 65 9.100 -12.479 2.466 1.00 0.00 H new ATOM 0 HG12 VAL A 65 10.187 -13.843 2.817 1.00 0.00 H new ATOM 0 HG13 VAL A 65 9.364 -13.744 1.243 1.00 0.00 H new ATOM 0 HG21 VAL A 65 6.664 -12.801 2.415 1.00 0.00 H new ATOM 0 HG22 VAL A 65 6.801 -14.074 1.180 1.00 0.00 H new ATOM 0 HG23 VAL A 65 5.957 -14.407 2.712 1.00 0.00 H new ATOM 883 N THR A 66 10.206 -16.307 4.095 1.00 0.00 N ATOM 884 CA THR A 66 10.874 -16.821 5.274 1.00 0.00 C ATOM 885 C THR A 66 11.338 -15.688 6.179 1.00 0.00 C ATOM 886 O THR A 66 12.121 -14.829 5.771 1.00 0.00 O ATOM 887 CB THR A 66 12.081 -17.698 4.897 1.00 0.00 C ATOM 888 OG1 THR A 66 11.976 -18.109 3.526 1.00 0.00 O ATOM 889 CG2 THR A 66 12.151 -18.920 5.796 1.00 0.00 C ATOM 0 H THR A 66 10.824 -15.855 3.421 1.00 0.00 H new ATOM 0 HA THR A 66 10.148 -17.432 5.810 1.00 0.00 H new ATOM 0 HB THR A 66 12.991 -17.113 5.030 1.00 0.00 H new ATOM 0 HG1 THR A 66 12.748 -18.665 3.291 1.00 0.00 H new ATOM 0 HG21 THR A 66 13.010 -19.529 5.516 1.00 0.00 H new ATOM 0 HG22 THR A 66 12.254 -18.603 6.834 1.00 0.00 H new ATOM 0 HG23 THR A 66 11.239 -19.506 5.685 1.00 0.00 H new ATOM 897 N ASN A 67 10.844 -15.685 7.405 1.00 0.00 N ATOM 898 CA ASN A 67 11.253 -14.688 8.385 1.00 0.00 C ATOM 899 C ASN A 67 12.415 -15.220 9.211 1.00 0.00 C ATOM 900 O ASN A 67 12.358 -15.275 10.441 1.00 0.00 O ATOM 901 CB ASN A 67 10.083 -14.298 9.289 1.00 0.00 C ATOM 902 CG ASN A 67 10.116 -12.827 9.661 1.00 0.00 C ATOM 903 OD1 ASN A 67 10.097 -11.954 8.794 1.00 0.00 O ATOM 904 ND2 ASN A 67 10.171 -12.549 10.951 1.00 0.00 N ATOM 0 H ASN A 67 10.160 -16.360 7.747 1.00 0.00 H new ATOM 0 HA ASN A 67 11.577 -13.793 7.855 1.00 0.00 H new ATOM 0 HB2 ASN A 67 9.144 -14.523 8.783 1.00 0.00 H new ATOM 0 HB3 ASN A 67 10.109 -14.902 10.196 1.00 0.00 H new ATOM 0 HD21 ASN A 67 10.200 -11.578 11.263 1.00 0.00 H new ATOM 0 HD22 ASN A 67 10.185 -13.305 11.636 1.00 0.00 H new ATOM 911 N THR A 68 13.468 -15.615 8.514 1.00 0.00 N ATOM 912 CA THR A 68 14.655 -16.177 9.136 1.00 0.00 C ATOM 913 C THR A 68 15.539 -15.078 9.710 1.00 0.00 C ATOM 914 O THR A 68 16.352 -15.306 10.604 1.00 0.00 O ATOM 915 CB THR A 68 15.450 -16.983 8.098 1.00 0.00 C ATOM 916 OG1 THR A 68 14.923 -16.711 6.787 1.00 0.00 O ATOM 917 CG2 THR A 68 15.362 -18.473 8.386 1.00 0.00 C ATOM 0 H THR A 68 13.523 -15.554 7.497 1.00 0.00 H new ATOM 0 HA THR A 68 14.340 -16.830 9.950 1.00 0.00 H new ATOM 0 HB THR A 68 16.498 -16.687 8.149 1.00 0.00 H new ATOM 0 HG1 THR A 68 15.427 -17.221 6.119 1.00 0.00 H new ATOM 0 HG21 THR A 68 15.933 -19.023 7.638 1.00 0.00 H new ATOM 0 HG22 THR A 68 15.770 -18.677 9.376 1.00 0.00 H new ATOM 0 HG23 THR A 68 14.319 -18.789 8.352 1.00 0.00 H new ATOM 925 N GLY A 69 15.354 -13.883 9.183 1.00 0.00 N ATOM 926 CA GLY A 69 16.128 -12.737 9.611 1.00 0.00 C ATOM 927 C GLY A 69 15.934 -11.571 8.670 1.00 0.00 C ATOM 928 O GLY A 69 16.897 -11.002 8.162 1.00 0.00 O ATOM 0 H GLY A 69 14.670 -13.681 8.454 1.00 0.00 H new ATOM 0 HA2 GLY A 69 15.831 -12.449 10.619 1.00 0.00 H new ATOM 0 HA3 GLY A 69 17.184 -13.003 9.654 1.00 0.00 H new ATOM 932 N ASN A 70 14.677 -11.226 8.439 1.00 0.00 N ATOM 933 CA ASN A 70 14.329 -10.199 7.469 1.00 0.00 C ATOM 934 C ASN A 70 13.684 -9.008 8.157 1.00 0.00 C ATOM 935 O ASN A 70 13.262 -9.103 9.312 1.00 0.00 O ATOM 936 CB ASN A 70 13.362 -10.773 6.426 1.00 0.00 C ATOM 937 CG ASN A 70 14.075 -11.420 5.254 1.00 0.00 C ATOM 938 OD1 ASN A 70 15.099 -10.927 4.784 1.00 0.00 O ATOM 939 ND2 ASN A 70 13.534 -12.532 4.773 1.00 0.00 N ATOM 0 H ASN A 70 13.877 -11.645 8.913 1.00 0.00 H new ATOM 0 HA ASN A 70 15.243 -9.867 6.977 1.00 0.00 H new ATOM 0 HB2 ASN A 70 12.716 -11.510 6.903 1.00 0.00 H new ATOM 0 HB3 ASN A 70 12.718 -9.975 6.057 1.00 0.00 H new ATOM 0 HD21 ASN A 70 13.969 -13.011 3.984 1.00 0.00 H new ATOM 0 HD22 ASN A 70 12.683 -12.908 5.192 1.00 0.00 H new ATOM 946 N SER A 71 13.610 -7.893 7.448 1.00 0.00 N ATOM 947 CA SER A 71 12.964 -6.699 7.963 1.00 0.00 C ATOM 948 C SER A 71 11.467 -6.747 7.663 1.00 0.00 C ATOM 949 O SER A 71 10.636 -6.426 8.514 1.00 0.00 O ATOM 950 CB SER A 71 13.597 -5.459 7.332 1.00 0.00 C ATOM 951 OG SER A 71 14.589 -5.827 6.387 1.00 0.00 O ATOM 0 H SER A 71 13.993 -7.791 6.508 1.00 0.00 H new ATOM 0 HA SER A 71 13.100 -6.651 9.043 1.00 0.00 H new ATOM 0 HB2 SER A 71 12.828 -4.860 6.844 1.00 0.00 H new ATOM 0 HB3 SER A 71 14.041 -4.836 8.109 1.00 0.00 H new ATOM 0 HG SER A 71 14.981 -5.020 5.993 1.00 0.00 H new ATOM 957 N PHE A 72 11.136 -7.166 6.447 1.00 0.00 N ATOM 958 CA PHE A 72 9.751 -7.310 6.033 1.00 0.00 C ATOM 959 C PHE A 72 9.615 -8.501 5.088 1.00 0.00 C ATOM 960 O PHE A 72 10.612 -9.012 4.576 1.00 0.00 O ATOM 961 CB PHE A 72 9.245 -6.018 5.367 1.00 0.00 C ATOM 962 CG PHE A 72 9.474 -5.943 3.883 1.00 0.00 C ATOM 963 CD1 PHE A 72 10.745 -5.746 3.367 1.00 0.00 C ATOM 964 CD2 PHE A 72 8.409 -6.064 3.007 1.00 0.00 C ATOM 965 CE1 PHE A 72 10.948 -5.671 2.003 1.00 0.00 C ATOM 966 CE2 PHE A 72 8.602 -5.991 1.644 1.00 0.00 C ATOM 967 CZ PHE A 72 9.876 -5.795 1.140 1.00 0.00 C ATOM 0 H PHE A 72 11.816 -7.413 5.728 1.00 0.00 H new ATOM 0 HA PHE A 72 9.136 -7.492 6.914 1.00 0.00 H new ATOM 0 HB2 PHE A 72 8.177 -5.920 5.561 1.00 0.00 H new ATOM 0 HB3 PHE A 72 9.734 -5.166 5.840 1.00 0.00 H new ATOM 0 HD1 PHE A 72 11.585 -5.650 4.038 1.00 0.00 H new ATOM 0 HD2 PHE A 72 7.414 -6.218 3.397 1.00 0.00 H new ATOM 0 HE1 PHE A 72 11.943 -5.516 1.612 1.00 0.00 H new ATOM 0 HE2 PHE A 72 7.762 -6.086 0.972 1.00 0.00 H new ATOM 0 HZ PHE A 72 10.032 -5.739 0.073 1.00 0.00 H new ATOM 977 N LEU A 73 8.389 -8.939 4.865 1.00 0.00 N ATOM 978 CA LEU A 73 8.141 -10.091 4.013 1.00 0.00 C ATOM 979 C LEU A 73 8.018 -9.673 2.553 1.00 0.00 C ATOM 980 O LEU A 73 6.942 -9.294 2.094 1.00 0.00 O ATOM 981 CB LEU A 73 6.868 -10.817 4.463 1.00 0.00 C ATOM 982 CG LEU A 73 5.885 -9.964 5.268 1.00 0.00 C ATOM 983 CD1 LEU A 73 4.553 -9.863 4.543 1.00 0.00 C ATOM 984 CD2 LEU A 73 5.695 -10.541 6.663 1.00 0.00 C ATOM 0 H LEU A 73 7.550 -8.516 5.261 1.00 0.00 H new ATOM 0 HA LEU A 73 8.989 -10.770 4.103 1.00 0.00 H new ATOM 0 HB2 LEU A 73 6.355 -11.199 3.581 1.00 0.00 H new ATOM 0 HB3 LEU A 73 7.154 -11.680 5.065 1.00 0.00 H new ATOM 0 HG LEU A 73 6.299 -8.961 5.367 1.00 0.00 H new ATOM 0 HD11 LEU A 73 3.865 -9.253 5.129 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.704 -9.403 3.566 1.00 0.00 H new ATOM 0 HD13 LEU A 73 4.133 -10.860 4.413 1.00 0.00 H new ATOM 0 HD21 LEU A 73 4.993 -9.921 7.221 1.00 0.00 H new ATOM 0 HD22 LEU A 73 5.303 -11.555 6.587 1.00 0.00 H new ATOM 0 HD23 LEU A 73 6.653 -10.561 7.182 1.00 0.00 H new ATOM 996 N ILE A 74 9.131 -9.729 1.833 1.00 0.00 N ATOM 997 CA ILE A 74 9.126 -9.448 0.408 1.00 0.00 C ATOM 998 C ILE A 74 8.409 -10.572 -0.339 1.00 0.00 C ATOM 999 O ILE A 74 8.880 -11.710 -0.391 1.00 0.00 O ATOM 1000 CB ILE A 74 10.564 -9.252 -0.146 1.00 0.00 C ATOM 1001 CG1 ILE A 74 10.555 -9.216 -1.676 1.00 0.00 C ATOM 1002 CG2 ILE A 74 11.504 -10.342 0.361 1.00 0.00 C ATOM 1003 CD1 ILE A 74 11.416 -8.119 -2.264 1.00 0.00 C ATOM 0 H ILE A 74 10.047 -9.966 2.214 1.00 0.00 H new ATOM 0 HA ILE A 74 8.590 -8.512 0.250 1.00 0.00 H new ATOM 0 HB ILE A 74 10.934 -8.294 0.219 1.00 0.00 H new ATOM 0 HG12 ILE A 74 10.899 -10.178 -2.055 1.00 0.00 H new ATOM 0 HG13 ILE A 74 9.529 -9.085 -2.021 1.00 0.00 H new ATOM 0 HG21 ILE A 74 12.503 -10.178 -0.044 1.00 0.00 H new ATOM 0 HG22 ILE A 74 11.544 -10.311 1.450 1.00 0.00 H new ATOM 0 HG23 ILE A 74 11.138 -11.317 0.039 1.00 0.00 H new ATOM 0 HD11 ILE A 74 11.360 -8.156 -3.352 1.00 0.00 H new ATOM 0 HD12 ILE A 74 11.059 -7.150 -1.915 1.00 0.00 H new ATOM 0 HD13 ILE A 74 12.450 -8.260 -1.949 1.00 0.00 H new ATOM 1015 N ILE A 75 7.256 -10.250 -0.894 1.00 0.00 N ATOM 1016 CA ILE A 75 6.415 -11.246 -1.531 1.00 0.00 C ATOM 1017 C ILE A 75 6.702 -11.341 -3.019 1.00 0.00 C ATOM 1018 O ILE A 75 7.144 -10.376 -3.644 1.00 0.00 O ATOM 1019 CB ILE A 75 4.912 -10.948 -1.337 1.00 0.00 C ATOM 1020 CG1 ILE A 75 4.673 -9.447 -1.141 1.00 0.00 C ATOM 1021 CG2 ILE A 75 4.357 -11.735 -0.159 1.00 0.00 C ATOM 1022 CD1 ILE A 75 3.416 -8.940 -1.811 1.00 0.00 C ATOM 0 H ILE A 75 6.879 -9.302 -0.917 1.00 0.00 H new ATOM 0 HA ILE A 75 6.652 -12.194 -1.049 1.00 0.00 H new ATOM 0 HB ILE A 75 4.386 -11.261 -2.239 1.00 0.00 H new ATOM 0 HG12 ILE A 75 4.617 -9.233 -0.074 1.00 0.00 H new ATOM 0 HG13 ILE A 75 5.529 -8.897 -1.532 1.00 0.00 H new ATOM 0 HG21 ILE A 75 3.297 -11.511 -0.039 1.00 0.00 H new ATOM 0 HG22 ILE A 75 4.484 -12.802 -0.342 1.00 0.00 H new ATOM 0 HG23 ILE A 75 4.892 -11.456 0.749 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.313 -7.870 -1.629 1.00 0.00 H new ATOM 0 HD12 ILE A 75 3.477 -9.121 -2.884 1.00 0.00 H new ATOM 0 HD13 ILE A 75 2.550 -9.462 -1.403 1.00 0.00 H new ATOM 1034 N ASN A 76 6.439 -12.514 -3.575 1.00 0.00 N ATOM 1035 CA ASN A 76 6.621 -12.756 -5.001 1.00 0.00 C ATOM 1036 C ASN A 76 5.423 -12.213 -5.772 1.00 0.00 C ATOM 1037 O ASN A 76 5.445 -12.113 -7.000 1.00 0.00 O ATOM 1038 CB ASN A 76 6.782 -14.261 -5.252 1.00 0.00 C ATOM 1039 CG ASN A 76 7.130 -14.594 -6.688 1.00 0.00 C ATOM 1040 OD1 ASN A 76 7.907 -13.893 -7.335 1.00 0.00 O ATOM 1041 ND2 ASN A 76 6.573 -15.684 -7.186 1.00 0.00 N ATOM 0 H ASN A 76 6.095 -13.322 -3.055 1.00 0.00 H new ATOM 0 HA ASN A 76 7.520 -12.244 -5.346 1.00 0.00 H new ATOM 0 HB2 ASN A 76 7.561 -14.650 -4.597 1.00 0.00 H new ATOM 0 HB3 ASN A 76 5.856 -14.769 -4.983 1.00 0.00 H new ATOM 0 HD21 ASN A 76 6.782 -15.973 -8.142 1.00 0.00 H new ATOM 0 HD22 ASN A 76 5.934 -16.237 -6.615 1.00 0.00 H new ATOM 1048 N ALA A 77 4.384 -11.858 -5.016 1.00 0.00 N ATOM 1049 CA ALA A 77 3.144 -11.324 -5.565 1.00 0.00 C ATOM 1050 C ALA A 77 2.456 -12.363 -6.435 1.00 0.00 C ATOM 1051 O ALA A 77 1.801 -12.033 -7.429 1.00 0.00 O ATOM 1052 CB ALA A 77 3.389 -10.035 -6.340 1.00 0.00 C ATOM 0 H ALA A 77 4.382 -11.935 -3.999 1.00 0.00 H new ATOM 0 HA ALA A 77 2.483 -11.083 -4.732 1.00 0.00 H new ATOM 0 HB1 ALA A 77 2.444 -9.663 -6.736 1.00 0.00 H new ATOM 0 HB2 ALA A 77 3.823 -9.288 -5.676 1.00 0.00 H new ATOM 0 HB3 ALA A 77 4.076 -10.231 -7.164 1.00 0.00 H new ATOM 1058 N ALA A 78 2.611 -13.626 -6.055 1.00 0.00 N ATOM 1059 CA ALA A 78 2.011 -14.724 -6.789 1.00 0.00 C ATOM 1060 C ALA A 78 0.502 -14.713 -6.613 1.00 0.00 C ATOM 1061 O ALA A 78 -0.246 -14.602 -7.586 1.00 0.00 O ATOM 1062 CB ALA A 78 2.595 -16.050 -6.330 1.00 0.00 C ATOM 0 H ALA A 78 3.151 -13.912 -5.238 1.00 0.00 H new ATOM 0 HA ALA A 78 2.235 -14.600 -7.848 1.00 0.00 H new ATOM 0 HB1 ALA A 78 2.135 -16.864 -6.890 1.00 0.00 H new ATOM 0 HB2 ALA A 78 3.671 -16.053 -6.504 1.00 0.00 H new ATOM 0 HB3 ALA A 78 2.399 -16.185 -5.266 1.00 0.00 H new ATOM 1068 N ASN A 79 0.056 -14.804 -5.371 1.00 0.00 N ATOM 1069 CA ASN A 79 -1.368 -14.817 -5.083 1.00 0.00 C ATOM 1070 C ASN A 79 -1.792 -13.493 -4.467 1.00 0.00 C ATOM 1071 O ASN A 79 -1.847 -13.361 -3.253 1.00 0.00 O ATOM 1072 CB ASN A 79 -1.715 -15.963 -4.124 1.00 0.00 C ATOM 1073 CG ASN A 79 -1.060 -17.281 -4.498 1.00 0.00 C ATOM 1074 OD1 ASN A 79 -1.603 -18.061 -5.278 1.00 0.00 O ATOM 1075 ND2 ASN A 79 0.111 -17.545 -3.934 1.00 0.00 N ATOM 0 H ASN A 79 0.657 -14.870 -4.549 1.00 0.00 H new ATOM 0 HA ASN A 79 -1.903 -14.966 -6.021 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -1.410 -15.687 -3.115 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -2.797 -16.096 -4.105 1.00 0.00 H new ATOM 0 HD21 ASN A 79 0.592 -18.420 -4.143 1.00 0.00 H new ATOM 0 HD22 ASN A 79 0.531 -16.873 -3.292 1.00 0.00 H new ATOM 1082 N CYS A 80 -2.077 -12.505 -5.295 1.00 0.00 N ATOM 1083 CA CYS A 80 -2.496 -11.210 -4.783 1.00 0.00 C ATOM 1084 C CYS A 80 -3.842 -10.806 -5.368 1.00 0.00 C ATOM 1085 O CYS A 80 -4.041 -10.840 -6.585 1.00 0.00 O ATOM 1086 CB CYS A 80 -1.442 -10.143 -5.092 1.00 0.00 C ATOM 1087 SG CYS A 80 -0.842 -9.241 -3.621 1.00 0.00 S ATOM 0 H CYS A 80 -2.028 -12.570 -6.312 1.00 0.00 H new ATOM 0 HA CYS A 80 -2.602 -11.293 -3.701 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -0.594 -10.617 -5.585 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -1.862 -9.427 -5.798 1.00 0.00 H new ATOM 1092 N VAL A 81 -4.764 -10.422 -4.496 1.00 0.00 N ATOM 1093 CA VAL A 81 -6.092 -10.006 -4.918 1.00 0.00 C ATOM 1094 C VAL A 81 -6.493 -8.699 -4.250 1.00 0.00 C ATOM 1095 O VAL A 81 -6.516 -8.589 -3.020 1.00 0.00 O ATOM 1096 CB VAL A 81 -7.164 -11.078 -4.613 1.00 0.00 C ATOM 1097 CG1 VAL A 81 -7.281 -12.054 -5.770 1.00 0.00 C ATOM 1098 CG2 VAL A 81 -6.856 -11.820 -3.320 1.00 0.00 C ATOM 0 H VAL A 81 -4.614 -10.390 -3.488 1.00 0.00 H new ATOM 0 HA VAL A 81 -6.041 -9.866 -5.998 1.00 0.00 H new ATOM 0 HB VAL A 81 -8.119 -10.568 -4.485 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -8.040 -12.802 -5.540 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -7.566 -11.515 -6.673 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -6.322 -12.547 -5.929 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -7.629 -12.566 -3.136 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -5.888 -12.314 -3.406 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -6.830 -11.112 -2.492 1.00 0.00 H new ATOM 1108 N ALA A 82 -6.781 -7.706 -5.070 1.00 0.00 N ATOM 1109 CA ALA A 82 -7.252 -6.421 -4.587 1.00 0.00 C ATOM 1110 C ALA A 82 -8.645 -6.146 -5.134 1.00 0.00 C ATOM 1111 O ALA A 82 -9.624 -6.283 -4.375 1.00 0.00 O ATOM 1112 CB ALA A 82 -6.288 -5.311 -4.980 1.00 0.00 C ATOM 1113 OXT ALA A 82 -8.760 -5.819 -6.332 1.00 0.00 O ATOM 0 H ALA A 82 -6.696 -7.766 -6.085 1.00 0.00 H new ATOM 0 HA ALA A 82 -7.301 -6.449 -3.498 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -6.661 -4.357 -4.608 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -5.307 -5.511 -4.548 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -6.204 -5.269 -6.066 1.00 0.00 H new TER 1119 ALA A 82