USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 603 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 53 THR OG1 : rot 171:sc= 0.434 USER MOD Set 1.2: A 70 THR OG1 : rot -19:sc= 0.944 USER MOD Set 2.1: A 16 LYS NZ :NH3+ 152:sc= 0.0354 (180deg=0) USER MOD Set 2.2: A 33 TYR OH : rot 152:sc= 1.01 USER MOD Set 3.1: A 8 ASN :FLIP amide:sc= -1.95 F(o=-13!,f=-8.1) USER MOD Set 3.2: A 10 GLN : amide:sc= -6.2! C(o=-8.1!,f=-10!) USER MOD Set 4.1: A 5 THR OG1 : rot 180:sc= -0.477 USER MOD Set 4.2: A 9 SER OG : rot 180:sc= -1.64! USER MOD Single : A 1 ASP N :NH3+ 151:sc= 0.587 (180deg=0.105) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 ASN : amide:sc= -6.7! C(o=-6.7!,f=-12!) USER MOD Single : A 7 THR OG1 : rot -100:sc= -2! USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 ASN :FLIP amide:sc= -2.18! C(o=-5.4!,f=-2.2!) USER MOD Single : A 15 SER OG : rot -50:sc= -4.2! USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot -130:sc= -0.0907 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot -43:sc= 0.194! USER MOD Single : A 24 ASN : amide:sc= -0.0654 K(o=-0.065,f=-2.8!) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 106:sc= -1.69! USER MOD Single : A 35 THR OG1 : rot 42:sc= 0.628 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 22:sc= 0.424 USER MOD Single : A 40 SER OG : rot 113:sc= 0.085 USER MOD Single : A 46 THR OG1 : rot -34:sc= 0.27 USER MOD Single : A 48 THR OG1 : rot 180:sc= -1.94! USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= -3! USER MOD Single : A 51 THR OG1 : rot -173:sc= -0.584 USER MOD Single : A 52 SER OG : rot 180:sc=-0.000249 USER MOD Single : A 55 SER OG : rot 79:sc= -2.09! USER MOD Single : A 58 SER OG : rot 170:sc= -1.75 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= -0.872 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ -154:sc= -2.39 (180deg=-4.53!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 ASN :FLIP amide:sc= -7.89! C(o=-8.5!,f=-7.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 45.185 7.282 1.415 1.00 0.00 N ATOM 2 CA ASP A 1 46.647 7.339 1.717 1.00 0.00 C ATOM 3 C ASP A 1 47.393 8.037 0.577 1.00 0.00 C ATOM 4 O ASP A 1 47.957 9.100 0.749 1.00 0.00 O ATOM 5 CB ASP A 1 47.094 5.880 1.834 1.00 0.00 C ATOM 6 CG ASP A 1 46.420 5.237 3.048 1.00 0.00 C ATOM 7 OD1 ASP A 1 45.244 4.925 2.952 1.00 0.00 O ATOM 8 OD2 ASP A 1 47.091 5.067 4.052 1.00 0.00 O ATOM 0 H1 ASP A 1 44.769 6.446 1.872 1.00 0.00 H new ATOM 0 H2 ASP A 1 44.722 8.140 1.776 1.00 0.00 H new ATOM 0 H3 ASP A 1 45.045 7.220 0.386 1.00 0.00 H new ATOM 0 HA ASP A 1 46.856 7.900 2.628 1.00 0.00 H new ATOM 0 HB2 ASP A 1 46.832 5.334 0.928 1.00 0.00 H new ATOM 0 HB3 ASP A 1 48.178 5.827 1.936 1.00 0.00 H new ATOM 15 N GLY A 2 47.400 7.447 -0.586 1.00 0.00 N ATOM 16 CA GLY A 2 48.109 8.074 -1.737 1.00 0.00 C ATOM 17 C GLY A 2 47.613 7.451 -3.043 1.00 0.00 C ATOM 18 O GLY A 2 46.734 6.611 -3.047 1.00 0.00 O ATOM 0 H GLY A 2 46.945 6.557 -0.789 1.00 0.00 H new ATOM 0 HA2 GLY A 2 47.932 9.150 -1.745 1.00 0.00 H new ATOM 0 HA3 GLY A 2 49.185 7.929 -1.638 1.00 0.00 H new ATOM 22 N SER A 3 48.169 7.854 -4.151 1.00 0.00 N ATOM 23 CA SER A 3 47.730 7.283 -5.457 1.00 0.00 C ATOM 24 C SER A 3 48.946 6.808 -6.257 1.00 0.00 C ATOM 25 O SER A 3 49.061 7.062 -7.439 1.00 0.00 O ATOM 26 CB SER A 3 47.028 8.434 -6.175 1.00 0.00 C ATOM 27 OG SER A 3 45.986 8.937 -5.348 1.00 0.00 O ATOM 0 H SER A 3 48.909 8.554 -4.210 1.00 0.00 H new ATOM 0 HA SER A 3 47.074 6.421 -5.335 1.00 0.00 H new ATOM 0 HB2 SER A 3 47.742 9.226 -6.402 1.00 0.00 H new ATOM 0 HB3 SER A 3 46.620 8.090 -7.125 1.00 0.00 H new ATOM 0 HG SER A 3 45.534 9.677 -5.805 1.00 0.00 H new ATOM 33 N CYS A 4 49.854 6.121 -5.619 1.00 0.00 N ATOM 34 CA CYS A 4 51.064 5.629 -6.342 1.00 0.00 C ATOM 35 C CYS A 4 50.709 4.387 -7.164 1.00 0.00 C ATOM 36 O CYS A 4 50.825 4.380 -8.372 1.00 0.00 O ATOM 37 CB CYS A 4 52.075 5.271 -5.247 1.00 0.00 C ATOM 38 SG CYS A 4 52.087 6.555 -3.968 1.00 0.00 S ATOM 0 H CYS A 4 49.811 5.879 -4.629 1.00 0.00 H new ATOM 0 HA CYS A 4 51.462 6.374 -7.031 1.00 0.00 H new ATOM 0 HB2 CYS A 4 51.818 4.308 -4.805 1.00 0.00 H new ATOM 0 HB3 CYS A 4 53.070 5.168 -5.679 1.00 0.00 H new ATOM 43 N THR A 5 50.278 3.340 -6.504 1.00 0.00 N ATOM 44 CA THR A 5 49.900 2.074 -7.214 1.00 0.00 C ATOM 45 C THR A 5 51.140 1.279 -7.638 1.00 0.00 C ATOM 46 O THR A 5 51.041 0.126 -7.995 1.00 0.00 O ATOM 47 CB THR A 5 49.096 2.501 -8.445 1.00 0.00 C ATOM 48 OG1 THR A 5 48.226 3.567 -8.095 1.00 0.00 O ATOM 49 CG2 THR A 5 48.278 1.312 -8.950 1.00 0.00 C ATOM 0 H THR A 5 50.170 3.307 -5.490 1.00 0.00 H new ATOM 0 HA THR A 5 49.322 1.422 -6.559 1.00 0.00 H new ATOM 0 HB THR A 5 49.775 2.834 -9.230 1.00 0.00 H new ATOM 0 HG1 THR A 5 47.712 3.842 -8.883 1.00 0.00 H new ATOM 0 HG21 THR A 5 47.704 1.612 -9.827 1.00 0.00 H new ATOM 0 HG22 THR A 5 48.949 0.496 -9.217 1.00 0.00 H new ATOM 0 HG23 THR A 5 47.597 0.980 -8.166 1.00 0.00 H new ATOM 57 N ASN A 6 52.301 1.876 -7.602 1.00 0.00 N ATOM 58 CA ASN A 6 53.535 1.137 -8.006 1.00 0.00 C ATOM 59 C ASN A 6 53.235 0.178 -9.164 1.00 0.00 C ATOM 60 O ASN A 6 53.715 -0.935 -9.198 1.00 0.00 O ATOM 61 CB ASN A 6 53.956 0.358 -6.760 1.00 0.00 C ATOM 62 CG ASN A 6 52.951 -0.763 -6.491 1.00 0.00 C ATOM 63 OD1 ASN A 6 52.958 -1.777 -7.161 1.00 0.00 O ATOM 64 ND2 ASN A 6 52.080 -0.624 -5.530 1.00 0.00 N ATOM 0 H ASN A 6 52.450 2.842 -7.311 1.00 0.00 H new ATOM 0 HA ASN A 6 54.319 1.810 -8.353 1.00 0.00 H new ATOM 0 HB2 ASN A 6 54.953 -0.060 -6.900 1.00 0.00 H new ATOM 0 HB3 ASN A 6 54.008 1.027 -5.901 1.00 0.00 H new ATOM 0 HD21 ASN A 6 51.406 -1.366 -5.342 1.00 0.00 H new ATOM 0 HD22 ASN A 6 52.073 0.227 -4.967 1.00 0.00 H new ATOM 71 N THR A 7 52.441 0.600 -10.112 1.00 0.00 N ATOM 72 CA THR A 7 52.112 -0.287 -11.271 1.00 0.00 C ATOM 73 C THR A 7 51.195 -1.443 -10.843 1.00 0.00 C ATOM 74 O THR A 7 51.297 -2.542 -11.352 1.00 0.00 O ATOM 75 CB THR A 7 53.463 -0.825 -11.754 1.00 0.00 C ATOM 76 OG1 THR A 7 54.477 0.128 -11.471 1.00 0.00 O ATOM 77 CG2 THR A 7 53.407 -1.080 -13.261 1.00 0.00 C ATOM 0 H THR A 7 52.004 1.522 -10.136 1.00 0.00 H new ATOM 0 HA THR A 7 51.578 0.254 -12.052 1.00 0.00 H new ATOM 0 HB THR A 7 53.686 -1.760 -11.240 1.00 0.00 H new ATOM 0 HG1 THR A 7 54.685 0.635 -12.283 1.00 0.00 H new ATOM 0 HG21 THR A 7 54.369 -1.462 -13.601 1.00 0.00 H new ATOM 0 HG22 THR A 7 52.629 -1.812 -13.478 1.00 0.00 H new ATOM 0 HG23 THR A 7 53.183 -0.148 -13.780 1.00 0.00 H new ATOM 85 N ASN A 8 50.295 -1.209 -9.923 1.00 0.00 N ATOM 86 CA ASN A 8 49.371 -2.304 -9.482 1.00 0.00 C ATOM 87 C ASN A 8 48.599 -1.885 -8.220 1.00 0.00 C ATOM 88 O ASN A 8 47.415 -2.130 -8.095 1.00 0.00 O ATOM 89 CB ASN A 8 50.281 -3.508 -9.190 1.00 0.00 C ATOM 90 CG ASN A 8 49.615 -4.413 -8.152 1.00 0.00 C ATOM 91 OD1 ASN A 8 49.589 -4.031 -6.906 1.00 0.00 O flip ATOM 92 ND2 ASN A 8 49.115 -5.472 -8.477 1.00 0.00 N flip ATOM 0 H ASN A 8 50.158 -0.312 -9.458 1.00 0.00 H new ATOM 0 HA ASN A 8 48.623 -2.537 -10.240 1.00 0.00 H new ATOM 0 HB2 ASN A 8 50.469 -4.066 -10.107 1.00 0.00 H new ATOM 0 HB3 ASN A 8 51.248 -3.165 -8.822 1.00 0.00 H new ATOM 0 HD21 ASN A 8 49.137 -5.768 -9.453 1.00 0.00 H new ATOM 0 HD22 ASN A 8 48.673 -6.065 -7.774 1.00 0.00 H new ATOM 99 N SER A 9 49.268 -1.264 -7.288 1.00 0.00 N ATOM 100 CA SER A 9 48.602 -0.824 -6.025 1.00 0.00 C ATOM 101 C SER A 9 48.308 -2.023 -5.121 1.00 0.00 C ATOM 102 O SER A 9 47.248 -2.614 -5.184 1.00 0.00 O ATOM 103 CB SER A 9 47.295 -0.151 -6.450 1.00 0.00 C ATOM 104 OG SER A 9 47.283 1.190 -5.977 1.00 0.00 O ATOM 0 H SER A 9 50.261 -1.039 -7.347 1.00 0.00 H new ATOM 0 HA SER A 9 49.240 -0.145 -5.459 1.00 0.00 H new ATOM 0 HB2 SER A 9 47.200 -0.167 -7.536 1.00 0.00 H new ATOM 0 HB3 SER A 9 46.443 -0.699 -6.048 1.00 0.00 H new ATOM 0 HG SER A 9 46.448 1.625 -6.249 1.00 0.00 H new ATOM 110 N GLN A 10 49.229 -2.378 -4.268 1.00 0.00 N ATOM 111 CA GLN A 10 48.988 -3.524 -3.352 1.00 0.00 C ATOM 112 C GLN A 10 49.346 -3.121 -1.924 1.00 0.00 C ATOM 113 O GLN A 10 49.555 -3.958 -1.068 1.00 0.00 O ATOM 114 CB GLN A 10 49.909 -4.639 -3.844 1.00 0.00 C ATOM 115 CG GLN A 10 49.084 -5.900 -4.096 1.00 0.00 C ATOM 116 CD GLN A 10 50.011 -7.043 -4.514 1.00 0.00 C ATOM 117 OE1 GLN A 10 50.772 -7.548 -3.713 1.00 0.00 O ATOM 118 NE2 GLN A 10 49.977 -7.476 -5.745 1.00 0.00 N ATOM 0 H GLN A 10 50.137 -1.924 -4.167 1.00 0.00 H new ATOM 0 HA GLN A 10 47.945 -3.842 -3.349 1.00 0.00 H new ATOM 0 HB2 GLN A 10 50.414 -4.332 -4.760 1.00 0.00 H new ATOM 0 HB3 GLN A 10 50.684 -4.839 -3.104 1.00 0.00 H new ATOM 0 HG2 GLN A 10 48.535 -6.174 -3.195 1.00 0.00 H new ATOM 0 HG3 GLN A 10 48.345 -5.714 -4.875 1.00 0.00 H new ATOM 0 HE21 GLN A 10 49.338 -7.052 -6.417 1.00 0.00 H new ATOM 0 HE22 GLN A 10 50.589 -8.239 -6.035 1.00 0.00 H new ATOM 127 N LEU A 11 49.425 -1.841 -1.666 1.00 0.00 N ATOM 128 CA LEU A 11 49.773 -1.373 -0.295 1.00 0.00 C ATOM 129 C LEU A 11 49.089 -2.245 0.749 1.00 0.00 C ATOM 130 O LEU A 11 47.918 -2.092 1.037 1.00 0.00 O ATOM 131 CB LEU A 11 49.253 0.061 -0.205 1.00 0.00 C ATOM 132 CG LEU A 11 50.294 1.047 -0.740 1.00 0.00 C ATOM 133 CD1 LEU A 11 51.686 0.689 -0.223 1.00 0.00 C ATOM 134 CD2 LEU A 11 50.294 1.011 -2.270 1.00 0.00 C ATOM 0 H LEU A 11 49.263 -1.100 -2.348 1.00 0.00 H new ATOM 0 HA LEU A 11 50.846 -1.427 -0.111 1.00 0.00 H new ATOM 0 HB2 LEU A 11 48.329 0.155 -0.775 1.00 0.00 H new ATOM 0 HB3 LEU A 11 49.014 0.302 0.831 1.00 0.00 H new ATOM 0 HG LEU A 11 50.038 2.048 -0.394 1.00 0.00 H new ATOM 0 HD11 LEU A 11 52.413 1.401 -0.614 1.00 0.00 H new ATOM 0 HD12 LEU A 11 51.690 0.727 0.866 1.00 0.00 H new ATOM 0 HD13 LEU A 11 51.949 -0.316 -0.552 1.00 0.00 H new ATOM 0 HD21 LEU A 11 51.036 1.713 -2.650 1.00 0.00 H new ATOM 0 HD22 LEU A 11 50.539 0.005 -2.610 1.00 0.00 H new ATOM 0 HD23 LEU A 11 49.307 1.289 -2.640 1.00 0.00 H new ATOM 146 N SER A 12 49.816 -3.155 1.322 1.00 0.00 N ATOM 147 CA SER A 12 49.215 -4.040 2.359 1.00 0.00 C ATOM 148 C SER A 12 49.316 -3.368 3.730 1.00 0.00 C ATOM 149 O SER A 12 50.072 -2.437 3.917 1.00 0.00 O ATOM 150 CB SER A 12 50.041 -5.325 2.322 1.00 0.00 C ATOM 151 OG SER A 12 49.238 -6.385 1.818 1.00 0.00 O ATOM 0 H SER A 12 50.801 -3.327 1.120 1.00 0.00 H new ATOM 0 HA SER A 12 48.160 -4.241 2.175 1.00 0.00 H new ATOM 0 HB2 SER A 12 50.920 -5.188 1.692 1.00 0.00 H new ATOM 0 HB3 SER A 12 50.400 -5.569 3.322 1.00 0.00 H new ATOM 0 HG SER A 12 49.765 -7.211 1.791 1.00 0.00 H new ATOM 157 N ALA A 13 48.558 -3.824 4.688 1.00 0.00 N ATOM 158 CA ALA A 13 48.619 -3.197 6.040 1.00 0.00 C ATOM 159 C ALA A 13 48.501 -1.673 5.919 1.00 0.00 C ATOM 160 O ALA A 13 47.970 -1.158 4.956 1.00 0.00 O ATOM 161 CB ALA A 13 49.987 -3.593 6.597 1.00 0.00 C ATOM 0 H ALA A 13 47.902 -4.599 4.595 1.00 0.00 H new ATOM 0 HA ALA A 13 47.807 -3.526 6.689 1.00 0.00 H new ATOM 0 HB1 ALA A 13 50.111 -3.169 7.594 1.00 0.00 H new ATOM 0 HB2 ALA A 13 50.056 -4.679 6.654 1.00 0.00 H new ATOM 0 HB3 ALA A 13 50.771 -3.213 5.941 1.00 0.00 H new ATOM 167 N ASN A 14 48.979 -0.948 6.895 1.00 0.00 N ATOM 168 CA ASN A 14 48.878 0.542 6.841 1.00 0.00 C ATOM 169 C ASN A 14 50.111 1.166 6.166 1.00 0.00 C ATOM 170 O ASN A 14 50.790 1.995 6.739 1.00 0.00 O ATOM 171 CB ASN A 14 48.776 0.979 8.307 1.00 0.00 C ATOM 172 CG ASN A 14 50.159 0.960 8.970 1.00 0.00 C ATOM 173 OD1 ASN A 14 51.101 0.193 8.491 1.00 0.00 O flip ATOM 174 ND2 ASN A 14 50.384 1.656 9.941 1.00 0.00 N flip ATOM 0 H ASN A 14 49.435 -1.322 7.727 1.00 0.00 H new ATOM 0 HA ASN A 14 48.022 0.869 6.251 1.00 0.00 H new ATOM 0 HB2 ASN A 14 48.352 1.981 8.365 1.00 0.00 H new ATOM 0 HB3 ASN A 14 48.099 0.315 8.845 1.00 0.00 H new ATOM 0 HD21 ASN A 14 49.651 2.257 10.319 1.00 0.00 H new ATOM 0 HD22 ASN A 14 51.306 1.639 10.378 1.00 0.00 H new ATOM 181 N SER A 15 50.400 0.789 4.948 1.00 0.00 N ATOM 182 CA SER A 15 51.580 1.378 4.252 1.00 0.00 C ATOM 183 C SER A 15 51.438 2.901 4.164 1.00 0.00 C ATOM 184 O SER A 15 50.586 3.493 4.796 1.00 0.00 O ATOM 185 CB SER A 15 51.561 0.766 2.854 1.00 0.00 C ATOM 186 OG SER A 15 50.612 1.458 2.054 1.00 0.00 O ATOM 0 H SER A 15 49.873 0.103 4.408 1.00 0.00 H new ATOM 0 HA SER A 15 52.512 1.172 4.779 1.00 0.00 H new ATOM 0 HB2 SER A 15 52.551 0.830 2.402 1.00 0.00 H new ATOM 0 HB3 SER A 15 51.304 -0.292 2.911 1.00 0.00 H new ATOM 0 HG SER A 15 49.759 1.515 2.534 1.00 0.00 H new ATOM 192 N LYS A 16 52.267 3.540 3.382 1.00 0.00 N ATOM 193 CA LYS A 16 52.180 5.023 3.250 1.00 0.00 C ATOM 194 C LYS A 16 52.747 5.464 1.897 1.00 0.00 C ATOM 195 O LYS A 16 53.665 4.863 1.374 1.00 0.00 O ATOM 196 CB LYS A 16 53.031 5.572 4.395 1.00 0.00 C ATOM 197 CG LYS A 16 52.481 6.928 4.839 1.00 0.00 C ATOM 198 CD LYS A 16 53.471 7.589 5.801 1.00 0.00 C ATOM 199 CE LYS A 16 53.132 9.074 5.945 1.00 0.00 C ATOM 200 NZ LYS A 16 54.322 9.676 6.608 1.00 0.00 N ATOM 0 H LYS A 16 53.001 3.098 2.829 1.00 0.00 H new ATOM 0 HA LYS A 16 51.153 5.385 3.298 1.00 0.00 H new ATOM 0 HB2 LYS A 16 53.026 4.874 5.232 1.00 0.00 H new ATOM 0 HB3 LYS A 16 54.067 5.676 4.074 1.00 0.00 H new ATOM 0 HG2 LYS A 16 52.318 7.568 3.972 1.00 0.00 H new ATOM 0 HG3 LYS A 16 51.515 6.799 5.326 1.00 0.00 H new ATOM 0 HD2 LYS A 16 53.430 7.100 6.774 1.00 0.00 H new ATOM 0 HD3 LYS A 16 54.489 7.472 5.429 1.00 0.00 H new ATOM 0 HE2 LYS A 16 52.946 9.533 4.974 1.00 0.00 H new ATOM 0 HE3 LYS A 16 52.232 9.218 6.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 54.405 10.675 6.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 54.215 9.609 7.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 55.179 9.164 6.315 1.00 0.00 H new ATOM 214 N CYS A 17 52.209 6.506 1.322 1.00 0.00 N ATOM 215 CA CYS A 17 52.724 6.972 0.000 1.00 0.00 C ATOM 216 C CYS A 17 53.068 8.464 0.048 1.00 0.00 C ATOM 217 O CYS A 17 52.713 9.167 0.974 1.00 0.00 O ATOM 218 CB CYS A 17 51.582 6.719 -0.984 1.00 0.00 C ATOM 219 SG CYS A 17 52.117 5.521 -2.232 1.00 0.00 S ATOM 0 H CYS A 17 51.439 7.053 1.707 1.00 0.00 H new ATOM 0 HA CYS A 17 53.637 6.450 -0.287 1.00 0.00 H new ATOM 0 HB2 CYS A 17 50.707 6.342 -0.454 1.00 0.00 H new ATOM 0 HB3 CYS A 17 51.287 7.652 -1.463 1.00 0.00 H new ATOM 224 N GLU A 18 53.758 8.947 -0.950 1.00 0.00 N ATOM 225 CA GLU A 18 54.133 10.391 -0.980 1.00 0.00 C ATOM 226 C GLU A 18 54.853 10.709 -2.294 1.00 0.00 C ATOM 227 O GLU A 18 54.663 10.039 -3.290 1.00 0.00 O ATOM 228 CB GLU A 18 55.074 10.582 0.211 1.00 0.00 C ATOM 229 CG GLU A 18 54.437 11.543 1.218 1.00 0.00 C ATOM 230 CD GLU A 18 55.474 11.941 2.271 1.00 0.00 C ATOM 231 OE1 GLU A 18 56.395 12.662 1.924 1.00 0.00 O ATOM 232 OE2 GLU A 18 55.329 11.519 3.406 1.00 0.00 O ATOM 0 H GLU A 18 54.080 8.401 -1.749 1.00 0.00 H new ATOM 0 HA GLU A 18 53.267 11.050 -0.918 1.00 0.00 H new ATOM 0 HB2 GLU A 18 55.275 9.622 0.686 1.00 0.00 H new ATOM 0 HB3 GLU A 18 56.032 10.977 -0.129 1.00 0.00 H new ATOM 0 HG2 GLU A 18 54.065 12.430 0.705 1.00 0.00 H new ATOM 0 HG3 GLU A 18 53.580 11.069 1.697 1.00 0.00 H new ATOM 239 N LYS A 19 55.680 11.719 -2.309 1.00 0.00 N ATOM 240 CA LYS A 19 56.407 12.063 -3.566 1.00 0.00 C ATOM 241 C LYS A 19 57.541 11.062 -3.807 1.00 0.00 C ATOM 242 O LYS A 19 58.685 11.434 -3.979 1.00 0.00 O ATOM 243 CB LYS A 19 56.969 13.465 -3.332 1.00 0.00 C ATOM 244 CG LYS A 19 56.628 14.360 -4.526 1.00 0.00 C ATOM 245 CD LYS A 19 56.957 13.628 -5.830 1.00 0.00 C ATOM 246 CE LYS A 19 57.404 14.641 -6.887 1.00 0.00 C ATOM 247 NZ LYS A 19 58.301 13.879 -7.801 1.00 0.00 N ATOM 0 H LYS A 19 55.884 12.319 -1.510 1.00 0.00 H new ATOM 0 HA LYS A 19 55.758 12.028 -4.441 1.00 0.00 H new ATOM 0 HB2 LYS A 19 56.552 13.887 -2.417 1.00 0.00 H new ATOM 0 HB3 LYS A 19 58.050 13.417 -3.197 1.00 0.00 H new ATOM 0 HG2 LYS A 19 55.571 14.626 -4.504 1.00 0.00 H new ATOM 0 HG3 LYS A 19 57.192 15.291 -4.468 1.00 0.00 H new ATOM 0 HD2 LYS A 19 57.745 12.894 -5.659 1.00 0.00 H new ATOM 0 HD3 LYS A 19 56.083 13.081 -6.183 1.00 0.00 H new ATOM 0 HE2 LYS A 19 56.550 15.052 -7.425 1.00 0.00 H new ATOM 0 HE3 LYS A 19 57.928 15.481 -6.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 58.647 14.509 -8.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 59.109 13.506 -7.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 57.774 13.090 -8.226 1.00 0.00 H new ATOM 261 N SER A 20 57.232 9.794 -3.820 1.00 0.00 N ATOM 262 CA SER A 20 58.289 8.768 -4.048 1.00 0.00 C ATOM 263 C SER A 20 58.077 8.081 -5.400 1.00 0.00 C ATOM 264 O SER A 20 57.049 8.231 -6.029 1.00 0.00 O ATOM 265 CB SER A 20 58.116 7.766 -2.908 1.00 0.00 C ATOM 266 OG SER A 20 59.278 6.953 -2.815 1.00 0.00 O ATOM 0 H SER A 20 56.292 9.424 -3.682 1.00 0.00 H new ATOM 0 HA SER A 20 59.289 9.201 -4.065 1.00 0.00 H new ATOM 0 HB2 SER A 20 57.951 8.293 -1.968 1.00 0.00 H new ATOM 0 HB3 SER A 20 57.237 7.145 -3.084 1.00 0.00 H new ATOM 0 HG SER A 20 59.016 6.009 -2.787 1.00 0.00 H new ATOM 272 N THR A 21 59.040 7.323 -5.849 1.00 0.00 N ATOM 273 CA THR A 21 58.888 6.623 -7.157 1.00 0.00 C ATOM 274 C THR A 21 58.608 5.138 -6.918 1.00 0.00 C ATOM 275 O THR A 21 59.482 4.383 -6.543 1.00 0.00 O ATOM 276 CB THR A 21 60.228 6.813 -7.870 1.00 0.00 C ATOM 277 OG1 THR A 21 60.900 7.938 -7.315 1.00 0.00 O ATOM 278 CG2 THR A 21 59.983 7.041 -9.364 1.00 0.00 C ATOM 0 H THR A 21 59.924 7.158 -5.368 1.00 0.00 H new ATOM 0 HA THR A 21 58.060 7.016 -7.748 1.00 0.00 H new ATOM 0 HB THR A 21 60.844 5.923 -7.739 1.00 0.00 H new ATOM 0 HG1 THR A 21 61.760 8.062 -7.768 1.00 0.00 H new ATOM 0 HG21 THR A 21 60.937 7.176 -9.873 1.00 0.00 H new ATOM 0 HG22 THR A 21 59.467 6.177 -9.784 1.00 0.00 H new ATOM 0 HG23 THR A 21 59.370 7.932 -9.500 1.00 0.00 H new ATOM 286 N LEU A 22 57.390 4.717 -7.123 1.00 0.00 N ATOM 287 CA LEU A 22 57.049 3.284 -6.895 1.00 0.00 C ATOM 288 C LEU A 22 56.823 2.561 -8.226 1.00 0.00 C ATOM 289 O LEU A 22 56.315 3.126 -9.174 1.00 0.00 O ATOM 290 CB LEU A 22 55.752 3.313 -6.085 1.00 0.00 C ATOM 291 CG LEU A 22 56.071 3.528 -4.605 1.00 0.00 C ATOM 292 CD1 LEU A 22 57.017 2.428 -4.119 1.00 0.00 C ATOM 293 CD2 LEU A 22 56.739 4.893 -4.421 1.00 0.00 C ATOM 0 H LEU A 22 56.617 5.303 -7.438 1.00 0.00 H new ATOM 0 HA LEU A 22 57.850 2.753 -6.381 1.00 0.00 H new ATOM 0 HB2 LEU A 22 55.104 4.112 -6.447 1.00 0.00 H new ATOM 0 HB3 LEU A 22 55.209 2.377 -6.217 1.00 0.00 H new ATOM 0 HG LEU A 22 55.148 3.493 -4.027 1.00 0.00 H new ATOM 0 HD11 LEU A 22 57.243 2.583 -3.064 1.00 0.00 H new ATOM 0 HD12 LEU A 22 56.542 1.456 -4.249 1.00 0.00 H new ATOM 0 HD13 LEU A 22 57.941 2.461 -4.697 1.00 0.00 H new ATOM 0 HD21 LEU A 22 56.967 5.047 -3.366 1.00 0.00 H new ATOM 0 HD22 LEU A 22 57.662 4.928 -5.000 1.00 0.00 H new ATOM 0 HD23 LEU A 22 56.065 5.677 -4.765 1.00 0.00 H new ATOM 305 N THR A 23 57.187 1.311 -8.294 1.00 0.00 N ATOM 306 CA THR A 23 56.985 0.537 -9.552 1.00 0.00 C ATOM 307 C THR A 23 57.042 -0.961 -9.248 1.00 0.00 C ATOM 308 O THR A 23 58.038 -1.470 -8.774 1.00 0.00 O ATOM 309 CB THR A 23 58.132 0.950 -10.476 1.00 0.00 C ATOM 310 OG1 THR A 23 58.236 2.367 -10.497 1.00 0.00 O ATOM 311 CG2 THR A 23 57.857 0.435 -11.890 1.00 0.00 C ATOM 0 H THR A 23 57.617 0.790 -7.530 1.00 0.00 H new ATOM 0 HA THR A 23 56.017 0.736 -10.012 1.00 0.00 H new ATOM 0 HB THR A 23 59.066 0.524 -10.110 1.00 0.00 H new ATOM 0 HG1 THR A 23 57.341 2.760 -10.567 1.00 0.00 H new ATOM 0 HG21 THR A 23 58.674 0.729 -12.549 1.00 0.00 H new ATOM 0 HG22 THR A 23 57.778 -0.652 -11.872 1.00 0.00 H new ATOM 0 HG23 THR A 23 56.923 0.861 -12.257 1.00 0.00 H new ATOM 319 N ASN A 24 55.975 -1.666 -9.505 1.00 0.00 N ATOM 320 CA ASN A 24 55.955 -3.129 -9.220 1.00 0.00 C ATOM 321 C ASN A 24 56.220 -3.378 -7.732 1.00 0.00 C ATOM 322 O ASN A 24 57.212 -3.972 -7.360 1.00 0.00 O ATOM 323 CB ASN A 24 57.076 -3.720 -10.078 1.00 0.00 C ATOM 324 CG ASN A 24 56.532 -4.058 -11.467 1.00 0.00 C ATOM 325 OD1 ASN A 24 55.374 -3.823 -11.752 1.00 0.00 O ATOM 326 ND2 ASN A 24 57.323 -4.602 -12.350 1.00 0.00 N ATOM 0 H ASN A 24 55.113 -1.291 -9.901 1.00 0.00 H new ATOM 0 HA ASN A 24 54.991 -3.583 -9.450 1.00 0.00 H new ATOM 0 HB2 ASN A 24 57.898 -3.009 -10.161 1.00 0.00 H new ATOM 0 HB3 ASN A 24 57.476 -4.616 -9.605 1.00 0.00 H new ATOM 0 HD21 ASN A 24 56.970 -4.830 -13.279 1.00 0.00 H new ATOM 0 HD22 ASN A 24 58.295 -4.799 -12.111 1.00 0.00 H new ATOM 333 N CYS A 25 55.339 -2.925 -6.876 1.00 0.00 N ATOM 334 CA CYS A 25 55.547 -3.136 -5.413 1.00 0.00 C ATOM 335 C CYS A 25 54.214 -3.417 -4.715 1.00 0.00 C ATOM 336 O CYS A 25 53.153 -3.253 -5.283 1.00 0.00 O ATOM 337 CB CYS A 25 56.134 -1.821 -4.898 1.00 0.00 C ATOM 338 SG CYS A 25 57.889 -2.042 -4.521 1.00 0.00 S ATOM 0 H CYS A 25 54.489 -2.420 -7.126 1.00 0.00 H new ATOM 0 HA CYS A 25 56.199 -3.987 -5.218 1.00 0.00 H new ATOM 0 HB2 CYS A 25 56.009 -1.038 -5.646 1.00 0.00 H new ATOM 0 HB3 CYS A 25 55.598 -1.498 -4.005 1.00 0.00 H new ATOM 343 N TYR A 26 54.269 -3.818 -3.477 1.00 0.00 N ATOM 344 CA TYR A 26 53.020 -4.090 -2.713 1.00 0.00 C ATOM 345 C TYR A 26 53.091 -3.339 -1.387 1.00 0.00 C ATOM 346 O TYR A 26 52.133 -2.755 -0.938 1.00 0.00 O ATOM 347 CB TYR A 26 53.005 -5.602 -2.474 1.00 0.00 C ATOM 348 CG TYR A 26 53.425 -6.324 -3.732 1.00 0.00 C ATOM 349 CD1 TYR A 26 52.688 -6.166 -4.911 1.00 0.00 C ATOM 350 CD2 TYR A 26 54.552 -7.155 -3.716 1.00 0.00 C ATOM 351 CE1 TYR A 26 53.078 -6.839 -6.076 1.00 0.00 C ATOM 352 CE2 TYR A 26 54.941 -7.829 -4.880 1.00 0.00 C ATOM 353 CZ TYR A 26 54.204 -7.671 -6.060 1.00 0.00 C ATOM 354 OH TYR A 26 54.587 -8.337 -7.206 1.00 0.00 O ATOM 0 H TYR A 26 55.133 -3.970 -2.957 1.00 0.00 H new ATOM 0 HA TYR A 26 52.121 -3.769 -3.239 1.00 0.00 H new ATOM 0 HB2 TYR A 26 53.679 -5.857 -1.656 1.00 0.00 H new ATOM 0 HB3 TYR A 26 52.007 -5.922 -2.176 1.00 0.00 H new ATOM 0 HD1 TYR A 26 51.819 -5.525 -4.923 1.00 0.00 H new ATOM 0 HD2 TYR A 26 55.121 -7.276 -2.806 1.00 0.00 H new ATOM 0 HE1 TYR A 26 52.510 -6.716 -6.986 1.00 0.00 H new ATOM 0 HE2 TYR A 26 55.810 -8.471 -4.868 1.00 0.00 H new ATOM 0 HH TYR A 26 55.388 -8.870 -7.022 1.00 0.00 H new ATOM 364 N VAL A 27 54.244 -3.346 -0.782 1.00 0.00 N ATOM 365 CA VAL A 27 54.450 -2.627 0.513 1.00 0.00 C ATOM 366 C VAL A 27 53.332 -2.920 1.516 1.00 0.00 C ATOM 367 O VAL A 27 52.201 -2.512 1.345 1.00 0.00 O ATOM 368 CB VAL A 27 54.448 -1.145 0.153 1.00 0.00 C ATOM 369 CG1 VAL A 27 55.051 -0.346 1.311 1.00 0.00 C ATOM 370 CG2 VAL A 27 55.272 -0.917 -1.118 1.00 0.00 C ATOM 0 H VAL A 27 55.071 -3.828 -1.134 1.00 0.00 H new ATOM 0 HA VAL A 27 55.377 -2.946 0.989 1.00 0.00 H new ATOM 0 HB VAL A 27 53.425 -0.815 -0.026 1.00 0.00 H new ATOM 0 HG11 VAL A 27 55.052 0.715 1.059 1.00 0.00 H new ATOM 0 HG12 VAL A 27 54.457 -0.505 2.211 1.00 0.00 H new ATOM 0 HG13 VAL A 27 56.074 -0.678 1.488 1.00 0.00 H new ATOM 0 HG21 VAL A 27 55.267 0.144 -1.370 1.00 0.00 H new ATOM 0 HG22 VAL A 27 56.298 -1.245 -0.950 1.00 0.00 H new ATOM 0 HG23 VAL A 27 54.839 -1.487 -1.940 1.00 0.00 H new ATOM 380 N ASP A 28 53.650 -3.598 2.582 1.00 0.00 N ATOM 381 CA ASP A 28 52.617 -3.887 3.614 1.00 0.00 C ATOM 382 C ASP A 28 52.740 -2.867 4.750 1.00 0.00 C ATOM 383 O ASP A 28 52.163 -1.799 4.701 1.00 0.00 O ATOM 384 CB ASP A 28 52.932 -5.300 4.108 1.00 0.00 C ATOM 385 CG ASP A 28 52.646 -6.307 2.993 1.00 0.00 C ATOM 386 OD1 ASP A 28 53.079 -6.065 1.878 1.00 0.00 O ATOM 387 OD2 ASP A 28 52.000 -7.304 3.272 1.00 0.00 O ATOM 0 H ASP A 28 54.580 -3.965 2.783 1.00 0.00 H new ATOM 0 HA ASP A 28 51.600 -3.821 3.229 1.00 0.00 H new ATOM 0 HB2 ASP A 28 53.977 -5.366 4.412 1.00 0.00 H new ATOM 0 HB3 ASP A 28 52.329 -5.533 4.986 1.00 0.00 H new ATOM 392 N LYS A 29 53.499 -3.176 5.764 1.00 0.00 N ATOM 393 CA LYS A 29 53.664 -2.208 6.886 1.00 0.00 C ATOM 394 C LYS A 29 54.908 -1.350 6.646 1.00 0.00 C ATOM 395 O LYS A 29 55.897 -1.466 7.339 1.00 0.00 O ATOM 396 CB LYS A 29 53.839 -3.070 8.137 1.00 0.00 C ATOM 397 CG LYS A 29 52.621 -2.898 9.047 1.00 0.00 C ATOM 398 CD LYS A 29 53.086 -2.619 10.477 1.00 0.00 C ATOM 399 CE LYS A 29 52.448 -3.633 11.429 1.00 0.00 C ATOM 400 NZ LYS A 29 53.157 -3.442 12.724 1.00 0.00 N ATOM 0 H LYS A 29 54.010 -4.053 5.865 1.00 0.00 H new ATOM 0 HA LYS A 29 52.815 -1.530 6.981 1.00 0.00 H new ATOM 0 HB2 LYS A 29 53.953 -4.117 7.857 1.00 0.00 H new ATOM 0 HB3 LYS A 29 54.747 -2.781 8.667 1.00 0.00 H new ATOM 0 HG2 LYS A 29 52.000 -2.077 8.689 1.00 0.00 H new ATOM 0 HG3 LYS A 29 52.006 -3.798 9.023 1.00 0.00 H new ATOM 0 HD2 LYS A 29 54.173 -2.683 10.536 1.00 0.00 H new ATOM 0 HD3 LYS A 29 52.810 -1.606 10.769 1.00 0.00 H new ATOM 0 HE2 LYS A 29 51.378 -3.456 11.535 1.00 0.00 H new ATOM 0 HE3 LYS A 29 52.568 -4.651 11.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 52.775 -4.103 13.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 54.173 -3.623 12.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 53.019 -2.466 13.054 1.00 0.00 H new ATOM 414 N SER A 30 54.869 -0.496 5.661 1.00 0.00 N ATOM 415 CA SER A 30 56.057 0.358 5.372 1.00 0.00 C ATOM 416 C SER A 30 55.630 1.803 5.109 1.00 0.00 C ATOM 417 O SER A 30 54.481 2.163 5.268 1.00 0.00 O ATOM 418 CB SER A 30 56.675 -0.250 4.116 1.00 0.00 C ATOM 419 OG SER A 30 56.428 -1.649 4.102 1.00 0.00 O ATOM 0 H SER A 30 54.069 -0.352 5.045 1.00 0.00 H new ATOM 0 HA SER A 30 56.757 0.385 6.207 1.00 0.00 H new ATOM 0 HB2 SER A 30 56.251 0.215 3.226 1.00 0.00 H new ATOM 0 HB3 SER A 30 57.748 -0.058 4.095 1.00 0.00 H new ATOM 0 HG SER A 30 55.736 -1.852 3.438 1.00 0.00 H new ATOM 425 N GLU A 31 56.553 2.633 4.704 1.00 0.00 N ATOM 426 CA GLU A 31 56.206 4.058 4.425 1.00 0.00 C ATOM 427 C GLU A 31 56.896 4.530 3.141 1.00 0.00 C ATOM 428 O GLU A 31 56.254 4.815 2.150 1.00 0.00 O ATOM 429 CB GLU A 31 56.727 4.837 5.633 1.00 0.00 C ATOM 430 CG GLU A 31 55.574 5.105 6.602 1.00 0.00 C ATOM 431 CD GLU A 31 56.016 6.122 7.656 1.00 0.00 C ATOM 432 OE1 GLU A 31 57.089 6.681 7.499 1.00 0.00 O ATOM 433 OE2 GLU A 31 55.274 6.323 8.603 1.00 0.00 O ATOM 0 H GLU A 31 57.532 2.387 4.554 1.00 0.00 H new ATOM 0 HA GLU A 31 55.135 4.201 4.280 1.00 0.00 H new ATOM 0 HB2 GLU A 31 57.513 4.271 6.133 1.00 0.00 H new ATOM 0 HB3 GLU A 31 57.170 5.779 5.309 1.00 0.00 H new ATOM 0 HG2 GLU A 31 54.708 5.483 6.058 1.00 0.00 H new ATOM 0 HG3 GLU A 31 55.267 4.177 7.084 1.00 0.00 H new ATOM 440 N VAL A 32 58.200 4.612 3.153 1.00 0.00 N ATOM 441 CA VAL A 32 58.941 5.060 1.934 1.00 0.00 C ATOM 442 C VAL A 32 58.695 6.551 1.678 1.00 0.00 C ATOM 443 O VAL A 32 57.659 7.086 2.018 1.00 0.00 O ATOM 444 CB VAL A 32 58.384 4.218 0.783 1.00 0.00 C ATOM 445 CG1 VAL A 32 59.387 4.218 -0.370 1.00 0.00 C ATOM 446 CG2 VAL A 32 58.155 2.776 1.251 1.00 0.00 C ATOM 0 H VAL A 32 58.787 4.388 3.956 1.00 0.00 H new ATOM 0 HA VAL A 32 60.018 4.930 2.043 1.00 0.00 H new ATOM 0 HB VAL A 32 57.436 4.643 0.454 1.00 0.00 H new ATOM 0 HG11 VAL A 32 58.996 3.620 -1.193 1.00 0.00 H new ATOM 0 HG12 VAL A 32 59.550 5.241 -0.710 1.00 0.00 H new ATOM 0 HG13 VAL A 32 60.332 3.794 -0.030 1.00 0.00 H new ATOM 0 HG21 VAL A 32 57.759 2.184 0.426 1.00 0.00 H new ATOM 0 HG22 VAL A 32 59.100 2.347 1.584 1.00 0.00 H new ATOM 0 HG23 VAL A 32 57.443 2.770 2.076 1.00 0.00 H new ATOM 456 N TYR A 33 59.644 7.228 1.083 1.00 0.00 N ATOM 457 CA TYR A 33 59.463 8.685 0.810 1.00 0.00 C ATOM 458 C TYR A 33 59.993 9.045 -0.583 1.00 0.00 C ATOM 459 O TYR A 33 59.348 9.745 -1.339 1.00 0.00 O ATOM 460 CB TYR A 33 60.285 9.393 1.887 1.00 0.00 C ATOM 461 CG TYR A 33 59.520 9.396 3.188 1.00 0.00 C ATOM 462 CD1 TYR A 33 58.646 10.448 3.484 1.00 0.00 C ATOM 463 CD2 TYR A 33 59.687 8.348 4.100 1.00 0.00 C ATOM 464 CE1 TYR A 33 57.938 10.452 4.691 1.00 0.00 C ATOM 465 CE2 TYR A 33 58.981 8.350 5.308 1.00 0.00 C ATOM 466 CZ TYR A 33 58.106 9.402 5.604 1.00 0.00 C ATOM 467 OH TYR A 33 57.409 9.406 6.794 1.00 0.00 O ATOM 0 H TYR A 33 60.534 6.836 0.775 1.00 0.00 H new ATOM 0 HA TYR A 33 58.413 8.975 0.832 1.00 0.00 H new ATOM 0 HB2 TYR A 33 61.243 8.889 2.018 1.00 0.00 H new ATOM 0 HB3 TYR A 33 60.502 10.416 1.579 1.00 0.00 H new ATOM 0 HD1 TYR A 33 58.518 11.257 2.780 1.00 0.00 H new ATOM 0 HD2 TYR A 33 60.362 7.536 3.871 1.00 0.00 H new ATOM 0 HE1 TYR A 33 57.263 11.263 4.919 1.00 0.00 H new ATOM 0 HE2 TYR A 33 59.111 7.541 6.011 1.00 0.00 H new ATOM 0 HH TYR A 33 57.265 8.484 7.092 1.00 0.00 H new ATOM 477 N GLY A 34 61.165 8.582 -0.926 1.00 0.00 N ATOM 478 CA GLY A 34 61.731 8.910 -2.267 1.00 0.00 C ATOM 479 C GLY A 34 62.392 7.668 -2.868 1.00 0.00 C ATOM 480 O GLY A 34 63.192 7.759 -3.778 1.00 0.00 O ATOM 0 H GLY A 34 61.754 7.992 -0.338 1.00 0.00 H new ATOM 0 HA2 GLY A 34 60.941 9.269 -2.927 1.00 0.00 H new ATOM 0 HA3 GLY A 34 62.461 9.714 -2.177 1.00 0.00 H new ATOM 484 N THR A 35 62.066 6.508 -2.369 1.00 0.00 N ATOM 485 CA THR A 35 62.679 5.262 -2.916 1.00 0.00 C ATOM 486 C THR A 35 62.201 5.018 -4.350 1.00 0.00 C ATOM 487 O THR A 35 61.209 5.568 -4.786 1.00 0.00 O ATOM 488 CB THR A 35 62.195 4.143 -1.995 1.00 0.00 C ATOM 489 OG1 THR A 35 62.771 4.306 -0.707 1.00 0.00 O ATOM 490 CG2 THR A 35 62.608 2.790 -2.576 1.00 0.00 C ATOM 0 H THR A 35 61.403 6.368 -1.607 1.00 0.00 H new ATOM 0 HA THR A 35 63.767 5.321 -2.950 1.00 0.00 H new ATOM 0 HB THR A 35 61.109 4.184 -1.912 1.00 0.00 H new ATOM 0 HG1 THR A 35 62.758 5.254 -0.460 1.00 0.00 H new ATOM 0 HG21 THR A 35 62.263 1.991 -1.919 1.00 0.00 H new ATOM 0 HG22 THR A 35 62.162 2.666 -3.563 1.00 0.00 H new ATOM 0 HG23 THR A 35 63.694 2.746 -2.661 1.00 0.00 H new ATOM 498 N THR A 36 62.898 4.195 -5.084 1.00 0.00 N ATOM 499 CA THR A 36 62.485 3.912 -6.488 1.00 0.00 C ATOM 500 C THR A 36 62.223 2.414 -6.671 1.00 0.00 C ATOM 501 O THR A 36 62.916 1.738 -7.405 1.00 0.00 O ATOM 502 CB THR A 36 63.671 4.357 -7.345 1.00 0.00 C ATOM 503 OG1 THR A 36 64.140 5.615 -6.883 1.00 0.00 O ATOM 504 CG2 THR A 36 63.231 4.479 -8.804 1.00 0.00 C ATOM 0 H THR A 36 63.737 3.706 -4.772 1.00 0.00 H new ATOM 0 HA THR A 36 61.566 4.430 -6.761 1.00 0.00 H new ATOM 0 HB THR A 36 64.471 3.620 -7.270 1.00 0.00 H new ATOM 0 HG1 THR A 36 64.901 5.901 -7.430 1.00 0.00 H new ATOM 0 HG21 THR A 36 64.077 4.796 -9.414 1.00 0.00 H new ATOM 0 HG22 THR A 36 62.871 3.513 -9.157 1.00 0.00 H new ATOM 0 HG23 THR A 36 62.431 5.215 -8.882 1.00 0.00 H new ATOM 512 N CYS A 37 61.230 1.890 -6.006 1.00 0.00 N ATOM 513 CA CYS A 37 60.926 0.436 -6.140 1.00 0.00 C ATOM 514 C CYS A 37 61.027 0.000 -7.604 1.00 0.00 C ATOM 515 O CYS A 37 60.099 0.161 -8.369 1.00 0.00 O ATOM 516 CB CYS A 37 59.485 0.282 -5.640 1.00 0.00 C ATOM 517 SG CYS A 37 58.831 -1.328 -6.156 1.00 0.00 S ATOM 0 H CYS A 37 60.616 2.405 -5.376 1.00 0.00 H new ATOM 0 HA CYS A 37 61.626 -0.180 -5.576 1.00 0.00 H new ATOM 0 HB2 CYS A 37 59.455 0.367 -4.554 1.00 0.00 H new ATOM 0 HB3 CYS A 37 58.863 1.083 -6.039 1.00 0.00 H new ATOM 522 N THR A 38 62.133 -0.567 -8.000 1.00 0.00 N ATOM 523 CA THR A 38 62.260 -1.024 -9.413 1.00 0.00 C ATOM 524 C THR A 38 61.774 -2.470 -9.531 1.00 0.00 C ATOM 525 O THR A 38 62.105 -3.175 -10.463 1.00 0.00 O ATOM 526 CB THR A 38 63.751 -0.929 -9.739 1.00 0.00 C ATOM 527 OG1 THR A 38 64.224 0.370 -9.414 1.00 0.00 O ATOM 528 CG2 THR A 38 63.963 -1.196 -11.230 1.00 0.00 C ATOM 0 H THR A 38 62.949 -0.733 -7.411 1.00 0.00 H new ATOM 0 HA THR A 38 61.663 -0.423 -10.099 1.00 0.00 H new ATOM 0 HB THR A 38 64.300 -1.669 -9.157 1.00 0.00 H new ATOM 0 HG1 THR A 38 63.622 0.784 -8.761 1.00 0.00 H new ATOM 0 HG21 THR A 38 65.025 -1.129 -11.464 1.00 0.00 H new ATOM 0 HG22 THR A 38 63.600 -2.194 -11.476 1.00 0.00 H new ATOM 0 HG23 THR A 38 63.415 -0.456 -11.814 1.00 0.00 H new ATOM 536 N GLY A 39 60.988 -2.915 -8.587 1.00 0.00 N ATOM 537 CA GLY A 39 60.475 -4.311 -8.633 1.00 0.00 C ATOM 538 C GLY A 39 60.784 -5.013 -7.308 1.00 0.00 C ATOM 539 O GLY A 39 61.273 -6.125 -7.283 1.00 0.00 O ATOM 0 H GLY A 39 60.679 -2.368 -7.784 1.00 0.00 H new ATOM 0 HA2 GLY A 39 59.400 -4.309 -8.813 1.00 0.00 H new ATOM 0 HA3 GLY A 39 60.936 -4.852 -9.459 1.00 0.00 H new ATOM 543 N SER A 40 60.507 -4.370 -6.206 1.00 0.00 N ATOM 544 CA SER A 40 60.789 -4.997 -4.884 1.00 0.00 C ATOM 545 C SER A 40 59.530 -4.991 -4.009 1.00 0.00 C ATOM 546 O SER A 40 58.420 -4.939 -4.501 1.00 0.00 O ATOM 547 CB SER A 40 61.875 -4.122 -4.264 1.00 0.00 C ATOM 548 OG SER A 40 61.299 -2.898 -3.827 1.00 0.00 O ATOM 0 H SER A 40 60.097 -3.437 -6.165 1.00 0.00 H new ATOM 0 HA SER A 40 61.101 -6.037 -4.978 1.00 0.00 H new ATOM 0 HB2 SER A 40 62.339 -4.639 -3.424 1.00 0.00 H new ATOM 0 HB3 SER A 40 62.662 -3.927 -4.993 1.00 0.00 H new ATOM 0 HG SER A 40 61.327 -2.854 -2.848 1.00 0.00 H new ATOM 554 N ARG A 41 59.696 -5.047 -2.714 1.00 0.00 N ATOM 555 CA ARG A 41 58.510 -5.047 -1.807 1.00 0.00 C ATOM 556 C ARG A 41 58.956 -4.862 -0.353 1.00 0.00 C ATOM 557 O ARG A 41 60.062 -5.205 0.015 1.00 0.00 O ATOM 558 CB ARG A 41 57.872 -6.423 -1.998 1.00 0.00 C ATOM 559 CG ARG A 41 58.924 -7.509 -1.763 1.00 0.00 C ATOM 560 CD ARG A 41 58.227 -8.840 -1.465 1.00 0.00 C ATOM 561 NE ARG A 41 59.033 -9.462 -0.377 1.00 0.00 N ATOM 562 CZ ARG A 41 58.508 -9.636 0.805 1.00 0.00 C ATOM 563 NH1 ARG A 41 57.914 -8.643 1.407 1.00 0.00 N ATOM 564 NH2 ARG A 41 58.574 -10.804 1.384 1.00 0.00 N ATOM 0 H ARG A 41 60.601 -5.093 -2.245 1.00 0.00 H new ATOM 0 HA ARG A 41 57.816 -4.237 -2.032 1.00 0.00 H new ATOM 0 HB2 ARG A 41 57.041 -6.550 -1.304 1.00 0.00 H new ATOM 0 HB3 ARG A 41 57.463 -6.510 -3.005 1.00 0.00 H new ATOM 0 HG2 ARG A 41 59.561 -7.609 -2.642 1.00 0.00 H new ATOM 0 HG3 ARG A 41 59.570 -7.230 -0.931 1.00 0.00 H new ATOM 0 HD2 ARG A 41 57.195 -8.684 -1.151 1.00 0.00 H new ATOM 0 HD3 ARG A 41 58.199 -9.477 -2.349 1.00 0.00 H new ATOM 0 HE ARG A 41 59.995 -9.752 -0.556 1.00 0.00 H new ATOM 0 HH11 ARG A 41 57.860 -7.731 0.954 1.00 0.00 H new ATOM 0 HH12 ARG A 41 57.504 -8.779 2.331 1.00 0.00 H new ATOM 0 HH21 ARG A 41 59.036 -11.582 0.913 1.00 0.00 H new ATOM 0 HH22 ARG A 41 58.163 -10.939 2.308 1.00 0.00 H new ATOM 578 N PHE A 42 58.102 -4.328 0.480 1.00 0.00 N ATOM 579 CA PHE A 42 58.482 -4.130 1.910 1.00 0.00 C ATOM 580 C PHE A 42 57.506 -4.874 2.823 1.00 0.00 C ATOM 581 O PHE A 42 56.628 -5.582 2.369 1.00 0.00 O ATOM 582 CB PHE A 42 58.389 -2.621 2.156 1.00 0.00 C ATOM 583 CG PHE A 42 58.969 -1.870 0.983 1.00 0.00 C ATOM 584 CD1 PHE A 42 60.182 -2.280 0.418 1.00 0.00 C ATOM 585 CD2 PHE A 42 58.293 -0.761 0.461 1.00 0.00 C ATOM 586 CE1 PHE A 42 60.719 -1.580 -0.670 1.00 0.00 C ATOM 587 CE2 PHE A 42 58.829 -0.062 -0.625 1.00 0.00 C ATOM 588 CZ PHE A 42 60.042 -0.471 -1.191 1.00 0.00 C ATOM 0 H PHE A 42 57.161 -4.021 0.233 1.00 0.00 H new ATOM 0 HA PHE A 42 59.480 -4.513 2.120 1.00 0.00 H new ATOM 0 HB2 PHE A 42 57.349 -2.332 2.305 1.00 0.00 H new ATOM 0 HB3 PHE A 42 58.926 -2.359 3.068 1.00 0.00 H new ATOM 0 HD1 PHE A 42 60.704 -3.136 0.821 1.00 0.00 H new ATOM 0 HD2 PHE A 42 57.357 -0.445 0.897 1.00 0.00 H new ATOM 0 HE1 PHE A 42 61.655 -1.896 -1.107 1.00 0.00 H new ATOM 0 HE2 PHE A 42 58.307 0.794 -1.027 1.00 0.00 H new ATOM 0 HZ PHE A 42 60.456 0.069 -2.030 1.00 0.00 H new ATOM 598 N ASP A 43 57.651 -4.715 4.110 1.00 0.00 N ATOM 599 CA ASP A 43 56.733 -5.405 5.059 1.00 0.00 C ATOM 600 C ASP A 43 57.133 -5.085 6.498 1.00 0.00 C ATOM 601 O ASP A 43 57.474 -5.960 7.269 1.00 0.00 O ATOM 602 CB ASP A 43 56.902 -6.897 4.769 1.00 0.00 C ATOM 603 CG ASP A 43 55.552 -7.602 4.921 1.00 0.00 C ATOM 604 OD1 ASP A 43 55.211 -7.949 6.040 1.00 0.00 O ATOM 605 OD2 ASP A 43 54.883 -7.781 3.917 1.00 0.00 O ATOM 0 H ASP A 43 58.368 -4.135 4.546 1.00 0.00 H new ATOM 0 HA ASP A 43 55.697 -5.088 4.938 1.00 0.00 H new ATOM 0 HB2 ASP A 43 57.288 -7.041 3.760 1.00 0.00 H new ATOM 0 HB3 ASP A 43 57.630 -7.331 5.454 1.00 0.00 H new ATOM 610 N GLY A 44 57.094 -3.834 6.865 1.00 0.00 N ATOM 611 CA GLY A 44 57.471 -3.455 8.253 1.00 0.00 C ATOM 612 C GLY A 44 58.784 -2.673 8.230 1.00 0.00 C ATOM 613 O GLY A 44 59.721 -3.000 8.931 1.00 0.00 O ATOM 0 H GLY A 44 56.817 -3.059 6.263 1.00 0.00 H new ATOM 0 HA2 GLY A 44 56.683 -2.850 8.703 1.00 0.00 H new ATOM 0 HA3 GLY A 44 57.578 -4.348 8.869 1.00 0.00 H new ATOM 617 N VAL A 45 58.871 -1.646 7.428 1.00 0.00 N ATOM 618 CA VAL A 45 60.143 -0.865 7.374 1.00 0.00 C ATOM 619 C VAL A 45 59.857 0.638 7.449 1.00 0.00 C ATOM 620 O VAL A 45 58.762 1.064 7.758 1.00 0.00 O ATOM 621 CB VAL A 45 60.803 -1.235 6.030 1.00 0.00 C ATOM 622 CG1 VAL A 45 60.473 -2.684 5.668 1.00 0.00 C ATOM 623 CG2 VAL A 45 60.294 -0.313 4.917 1.00 0.00 C ATOM 0 H VAL A 45 58.126 -1.316 6.814 1.00 0.00 H new ATOM 0 HA VAL A 45 60.796 -1.099 8.215 1.00 0.00 H new ATOM 0 HB VAL A 45 61.882 -1.118 6.131 1.00 0.00 H new ATOM 0 HG11 VAL A 45 60.943 -2.938 4.718 1.00 0.00 H new ATOM 0 HG12 VAL A 45 60.848 -3.348 6.447 1.00 0.00 H new ATOM 0 HG13 VAL A 45 59.393 -2.800 5.581 1.00 0.00 H new ATOM 0 HG21 VAL A 45 60.768 -0.585 3.974 1.00 0.00 H new ATOM 0 HG22 VAL A 45 59.213 -0.418 4.824 1.00 0.00 H new ATOM 0 HG23 VAL A 45 60.538 0.721 5.161 1.00 0.00 H new ATOM 633 N THR A 46 60.844 1.437 7.158 1.00 0.00 N ATOM 634 CA THR A 46 60.659 2.914 7.197 1.00 0.00 C ATOM 635 C THR A 46 61.766 3.581 6.380 1.00 0.00 C ATOM 636 O THR A 46 62.488 4.429 6.865 1.00 0.00 O ATOM 637 CB THR A 46 60.776 3.288 8.675 1.00 0.00 C ATOM 638 OG1 THR A 46 59.871 2.498 9.433 1.00 0.00 O ATOM 639 CG2 THR A 46 60.440 4.769 8.859 1.00 0.00 C ATOM 0 H THR A 46 61.779 1.128 6.893 1.00 0.00 H new ATOM 0 HA THR A 46 59.705 3.235 6.778 1.00 0.00 H new ATOM 0 HB THR A 46 61.795 3.105 9.016 1.00 0.00 H new ATOM 0 HG1 THR A 46 59.065 2.325 8.903 1.00 0.00 H new ATOM 0 HG21 THR A 46 60.524 5.033 9.913 1.00 0.00 H new ATOM 0 HG22 THR A 46 61.134 5.375 8.277 1.00 0.00 H new ATOM 0 HG23 THR A 46 59.422 4.956 8.518 1.00 0.00 H new ATOM 647 N ILE A 47 61.909 3.191 5.142 1.00 0.00 N ATOM 648 CA ILE A 47 62.975 3.784 4.288 1.00 0.00 C ATOM 649 C ILE A 47 62.484 5.084 3.652 1.00 0.00 C ATOM 650 O ILE A 47 61.317 5.415 3.710 1.00 0.00 O ATOM 651 CB ILE A 47 63.243 2.730 3.215 1.00 0.00 C ATOM 652 CG1 ILE A 47 64.377 3.203 2.303 1.00 0.00 C ATOM 653 CG2 ILE A 47 61.976 2.517 2.385 1.00 0.00 C ATOM 654 CD1 ILE A 47 64.768 2.073 1.348 1.00 0.00 C ATOM 0 H ILE A 47 61.331 2.485 4.685 1.00 0.00 H new ATOM 0 HA ILE A 47 63.872 4.031 4.855 1.00 0.00 H new ATOM 0 HB ILE A 47 63.530 1.792 3.691 1.00 0.00 H new ATOM 0 HG12 ILE A 47 64.061 4.079 1.737 1.00 0.00 H new ATOM 0 HG13 ILE A 47 65.238 3.503 2.901 1.00 0.00 H new ATOM 0 HG21 ILE A 47 62.165 1.765 1.619 1.00 0.00 H new ATOM 0 HG22 ILE A 47 61.168 2.178 3.034 1.00 0.00 H new ATOM 0 HG23 ILE A 47 61.690 3.455 1.910 1.00 0.00 H new ATOM 0 HD11 ILE A 47 65.576 2.409 0.698 1.00 0.00 H new ATOM 0 HD12 ILE A 47 65.101 1.209 1.923 1.00 0.00 H new ATOM 0 HD13 ILE A 47 63.906 1.795 0.741 1.00 0.00 H new ATOM 666 N THR A 48 63.369 5.825 3.046 1.00 0.00 N ATOM 667 CA THR A 48 62.955 7.105 2.408 1.00 0.00 C ATOM 668 C THR A 48 63.604 7.234 1.022 1.00 0.00 C ATOM 669 O THR A 48 63.502 6.345 0.200 1.00 0.00 O ATOM 670 CB THR A 48 63.454 8.191 3.363 1.00 0.00 C ATOM 671 OG1 THR A 48 64.846 8.018 3.592 1.00 0.00 O ATOM 672 CG2 THR A 48 62.699 8.087 4.690 1.00 0.00 C ATOM 0 H THR A 48 64.360 5.600 2.965 1.00 0.00 H new ATOM 0 HA THR A 48 61.879 7.174 2.250 1.00 0.00 H new ATOM 0 HB THR A 48 63.280 9.173 2.922 1.00 0.00 H new ATOM 0 HG1 THR A 48 65.166 8.715 4.202 1.00 0.00 H new ATOM 0 HG21 THR A 48 63.053 8.860 5.372 1.00 0.00 H new ATOM 0 HG22 THR A 48 61.632 8.221 4.513 1.00 0.00 H new ATOM 0 HG23 THR A 48 62.873 7.106 5.132 1.00 0.00 H new ATOM 680 N THR A 49 64.267 8.327 0.750 1.00 0.00 N ATOM 681 CA THR A 49 64.909 8.491 -0.587 1.00 0.00 C ATOM 682 C THR A 49 66.096 7.537 -0.729 1.00 0.00 C ATOM 683 O THR A 49 67.237 7.948 -0.700 1.00 0.00 O ATOM 684 CB THR A 49 65.389 9.940 -0.618 1.00 0.00 C ATOM 685 OG1 THR A 49 64.265 10.809 -0.623 1.00 0.00 O ATOM 686 CG2 THR A 49 66.222 10.170 -1.879 1.00 0.00 C ATOM 0 H THR A 49 64.391 9.110 1.392 1.00 0.00 H new ATOM 0 HA THR A 49 64.221 8.267 -1.402 1.00 0.00 H new ATOM 0 HB THR A 49 65.999 10.144 0.262 1.00 0.00 H new ATOM 0 HG1 THR A 49 64.571 11.740 -0.641 1.00 0.00 H new ATOM 0 HG21 THR A 49 66.566 11.204 -1.904 1.00 0.00 H new ATOM 0 HG22 THR A 49 67.083 9.501 -1.874 1.00 0.00 H new ATOM 0 HG23 THR A 49 65.612 9.969 -2.760 1.00 0.00 H new ATOM 694 N SER A 50 65.837 6.269 -0.884 1.00 0.00 N ATOM 695 CA SER A 50 66.955 5.294 -1.028 1.00 0.00 C ATOM 696 C SER A 50 66.720 4.397 -2.244 1.00 0.00 C ATOM 697 O SER A 50 65.626 3.919 -2.472 1.00 0.00 O ATOM 698 CB SER A 50 66.921 4.470 0.259 1.00 0.00 C ATOM 699 OG SER A 50 67.307 5.293 1.351 1.00 0.00 O ATOM 0 H SER A 50 64.901 5.865 -0.917 1.00 0.00 H new ATOM 0 HA SER A 50 67.917 5.784 -1.177 1.00 0.00 H new ATOM 0 HB2 SER A 50 65.920 4.072 0.424 1.00 0.00 H new ATOM 0 HB3 SER A 50 67.593 3.616 0.176 1.00 0.00 H new ATOM 0 HG SER A 50 67.285 4.769 2.179 1.00 0.00 H new ATOM 705 N THR A 51 67.737 4.159 -3.028 1.00 0.00 N ATOM 706 CA THR A 51 67.561 3.290 -4.222 1.00 0.00 C ATOM 707 C THR A 51 67.977 1.859 -3.886 1.00 0.00 C ATOM 708 O THR A 51 69.115 1.596 -3.564 1.00 0.00 O ATOM 709 CB THR A 51 68.493 3.870 -5.284 1.00 0.00 C ATOM 710 OG1 THR A 51 69.080 5.072 -4.802 1.00 0.00 O ATOM 711 CG2 THR A 51 67.703 4.161 -6.560 1.00 0.00 C ATOM 0 H THR A 51 68.678 4.528 -2.892 1.00 0.00 H new ATOM 0 HA THR A 51 66.525 3.262 -4.561 1.00 0.00 H new ATOM 0 HB THR A 51 69.279 3.148 -5.504 1.00 0.00 H new ATOM 0 HG1 THR A 51 69.590 5.499 -5.522 1.00 0.00 H new ATOM 0 HG21 THR A 51 68.371 4.575 -7.315 1.00 0.00 H new ATOM 0 HG22 THR A 51 67.261 3.237 -6.933 1.00 0.00 H new ATOM 0 HG23 THR A 51 66.912 4.879 -6.343 1.00 0.00 H new ATOM 719 N SER A 52 67.066 0.935 -3.962 1.00 0.00 N ATOM 720 CA SER A 52 67.410 -0.482 -3.648 1.00 0.00 C ATOM 721 C SER A 52 67.026 -1.382 -4.823 1.00 0.00 C ATOM 722 O SER A 52 65.977 -1.224 -5.416 1.00 0.00 O ATOM 723 CB SER A 52 66.584 -0.826 -2.409 1.00 0.00 C ATOM 724 OG SER A 52 66.543 0.302 -1.544 1.00 0.00 O ATOM 0 H SER A 52 66.095 1.097 -4.228 1.00 0.00 H new ATOM 0 HA SER A 52 68.476 -0.624 -3.472 1.00 0.00 H new ATOM 0 HB2 SER A 52 65.573 -1.113 -2.700 1.00 0.00 H new ATOM 0 HB3 SER A 52 67.021 -1.680 -1.892 1.00 0.00 H new ATOM 0 HG SER A 52 66.013 0.085 -0.749 1.00 0.00 H new ATOM 730 N THR A 53 67.863 -2.320 -5.174 1.00 0.00 N ATOM 731 CA THR A 53 67.526 -3.212 -6.321 1.00 0.00 C ATOM 732 C THR A 53 67.352 -4.656 -5.845 1.00 0.00 C ATOM 733 O THR A 53 68.218 -5.216 -5.201 1.00 0.00 O ATOM 734 CB THR A 53 68.715 -3.097 -7.274 1.00 0.00 C ATOM 735 OG1 THR A 53 69.257 -1.787 -7.193 1.00 0.00 O ATOM 736 CG2 THR A 53 68.251 -3.371 -8.706 1.00 0.00 C ATOM 0 H THR A 53 68.758 -2.507 -4.721 1.00 0.00 H new ATOM 0 HA THR A 53 66.590 -2.928 -6.801 1.00 0.00 H new ATOM 0 HB THR A 53 69.477 -3.825 -6.996 1.00 0.00 H new ATOM 0 HG1 THR A 53 70.102 -1.751 -7.689 1.00 0.00 H new ATOM 0 HG21 THR A 53 69.099 -3.289 -9.385 1.00 0.00 H new ATOM 0 HG22 THR A 53 67.833 -4.376 -8.767 1.00 0.00 H new ATOM 0 HG23 THR A 53 67.489 -2.644 -8.987 1.00 0.00 H new ATOM 744 N GLY A 54 66.238 -5.262 -6.158 1.00 0.00 N ATOM 745 CA GLY A 54 66.008 -6.669 -5.725 1.00 0.00 C ATOM 746 C GLY A 54 66.450 -6.828 -4.271 1.00 0.00 C ATOM 747 O GLY A 54 67.198 -7.723 -3.932 1.00 0.00 O ATOM 0 H GLY A 54 65.478 -4.843 -6.694 1.00 0.00 H new ATOM 0 HA2 GLY A 54 64.953 -6.925 -5.827 1.00 0.00 H new ATOM 0 HA3 GLY A 54 66.566 -7.354 -6.364 1.00 0.00 H new ATOM 751 N SER A 55 65.993 -5.963 -3.408 1.00 0.00 N ATOM 752 CA SER A 55 66.385 -6.059 -1.975 1.00 0.00 C ATOM 753 C SER A 55 65.139 -6.068 -1.086 1.00 0.00 C ATOM 754 O SER A 55 64.175 -5.374 -1.342 1.00 0.00 O ATOM 755 CB SER A 55 67.223 -4.810 -1.711 1.00 0.00 C ATOM 756 OG SER A 55 66.575 -3.683 -2.282 1.00 0.00 O ATOM 0 H SER A 55 65.364 -5.193 -3.635 1.00 0.00 H new ATOM 0 HA SER A 55 66.937 -6.974 -1.757 1.00 0.00 H new ATOM 0 HB2 SER A 55 67.353 -4.665 -0.639 1.00 0.00 H new ATOM 0 HB3 SER A 55 68.218 -4.928 -2.140 1.00 0.00 H new ATOM 0 HG SER A 55 65.846 -3.392 -1.695 1.00 0.00 H new ATOM 762 N ARG A 56 65.155 -6.851 -0.045 1.00 0.00 N ATOM 763 CA ARG A 56 63.978 -6.914 0.866 1.00 0.00 C ATOM 764 C ARG A 56 64.223 -6.045 2.101 1.00 0.00 C ATOM 765 O ARG A 56 64.922 -6.436 3.015 1.00 0.00 O ATOM 766 CB ARG A 56 63.866 -8.387 1.265 1.00 0.00 C ATOM 767 CG ARG A 56 62.395 -8.806 1.280 1.00 0.00 C ATOM 768 CD ARG A 56 62.300 -10.333 1.244 1.00 0.00 C ATOM 769 NE ARG A 56 61.617 -10.706 2.514 1.00 0.00 N ATOM 770 CZ ARG A 56 61.722 -11.922 2.980 1.00 0.00 C ATOM 771 NH1 ARG A 56 62.852 -12.329 3.490 1.00 0.00 N ATOM 772 NH2 ARG A 56 60.698 -12.728 2.933 1.00 0.00 N ATOM 0 H ARG A 56 65.936 -7.453 0.216 1.00 0.00 H new ATOM 0 HA ARG A 56 63.067 -6.548 0.392 1.00 0.00 H new ATOM 0 HB2 ARG A 56 64.424 -9.007 0.563 1.00 0.00 H new ATOM 0 HB3 ARG A 56 64.308 -8.542 2.249 1.00 0.00 H new ATOM 0 HG2 ARG A 56 61.905 -8.421 2.175 1.00 0.00 H new ATOM 0 HG3 ARG A 56 61.875 -8.378 0.423 1.00 0.00 H new ATOM 0 HD2 ARG A 56 61.734 -10.673 0.377 1.00 0.00 H new ATOM 0 HD3 ARG A 56 63.288 -10.789 1.178 1.00 0.00 H new ATOM 0 HE ARG A 56 61.067 -10.012 3.020 1.00 0.00 H new ATOM 0 HH11 ARG A 56 63.653 -11.698 3.525 1.00 0.00 H new ATOM 0 HH12 ARG A 56 62.935 -13.278 3.854 1.00 0.00 H new ATOM 0 HH21 ARG A 56 59.816 -12.409 2.533 1.00 0.00 H new ATOM 0 HH22 ARG A 56 60.779 -13.678 3.297 1.00 0.00 H new ATOM 786 N ILE A 57 63.654 -4.874 2.141 1.00 0.00 N ATOM 787 CA ILE A 57 63.861 -3.994 3.325 1.00 0.00 C ATOM 788 C ILE A 57 62.905 -4.401 4.448 1.00 0.00 C ATOM 789 O ILE A 57 62.804 -3.737 5.460 1.00 0.00 O ATOM 790 CB ILE A 57 63.549 -2.581 2.835 1.00 0.00 C ATOM 791 CG1 ILE A 57 64.550 -2.189 1.746 1.00 0.00 C ATOM 792 CG2 ILE A 57 63.661 -1.600 4.005 1.00 0.00 C ATOM 793 CD1 ILE A 57 63.801 -1.889 0.447 1.00 0.00 C ATOM 0 H ILE A 57 63.057 -4.489 1.409 1.00 0.00 H new ATOM 0 HA ILE A 57 64.873 -4.065 3.724 1.00 0.00 H new ATOM 0 HB ILE A 57 62.538 -2.551 2.430 1.00 0.00 H new ATOM 0 HG12 ILE A 57 65.120 -1.315 2.059 1.00 0.00 H new ATOM 0 HG13 ILE A 57 65.265 -2.996 1.587 1.00 0.00 H new ATOM 0 HG21 ILE A 57 63.439 -0.591 3.657 1.00 0.00 H new ATOM 0 HG22 ILE A 57 62.951 -1.880 4.784 1.00 0.00 H new ATOM 0 HG23 ILE A 57 64.673 -1.629 4.409 1.00 0.00 H new ATOM 0 HD11 ILE A 57 64.515 -1.610 -0.328 1.00 0.00 H new ATOM 0 HD12 ILE A 57 63.251 -2.775 0.131 1.00 0.00 H new ATOM 0 HD13 ILE A 57 63.103 -1.068 0.611 1.00 0.00 H new ATOM 805 N SER A 58 62.205 -5.491 4.279 1.00 0.00 N ATOM 806 CA SER A 58 61.259 -5.936 5.343 1.00 0.00 C ATOM 807 C SER A 58 62.002 -6.098 6.672 1.00 0.00 C ATOM 808 O SER A 58 63.215 -6.172 6.710 1.00 0.00 O ATOM 809 CB SER A 58 60.721 -7.283 4.861 1.00 0.00 C ATOM 810 OG SER A 58 59.565 -7.067 4.062 1.00 0.00 O ATOM 0 H SER A 58 62.247 -6.090 3.454 1.00 0.00 H new ATOM 0 HA SER A 58 60.457 -5.217 5.511 1.00 0.00 H new ATOM 0 HB2 SER A 58 61.483 -7.807 4.284 1.00 0.00 H new ATOM 0 HB3 SER A 58 60.475 -7.916 5.714 1.00 0.00 H new ATOM 0 HG SER A 58 59.311 -7.904 3.621 1.00 0.00 H new ATOM 816 N GLY A 59 61.288 -6.154 7.763 1.00 0.00 N ATOM 817 CA GLY A 59 61.963 -6.311 9.083 1.00 0.00 C ATOM 818 C GLY A 59 61.031 -5.838 10.199 1.00 0.00 C ATOM 819 O GLY A 59 60.148 -5.035 9.972 1.00 0.00 O ATOM 0 H GLY A 59 60.270 -6.098 7.798 1.00 0.00 H new ATOM 0 HA2 GLY A 59 62.235 -7.355 9.241 1.00 0.00 H new ATOM 0 HA3 GLY A 59 62.888 -5.735 9.100 1.00 0.00 H new ATOM 823 N PRO A 60 61.264 -6.355 11.374 1.00 0.00 N ATOM 824 CA PRO A 60 60.441 -5.981 12.550 1.00 0.00 C ATOM 825 C PRO A 60 60.787 -4.562 13.010 1.00 0.00 C ATOM 826 O PRO A 60 61.133 -4.336 14.153 1.00 0.00 O ATOM 827 CB PRO A 60 60.839 -7.008 13.606 1.00 0.00 C ATOM 828 CG PRO A 60 62.212 -7.454 13.215 1.00 0.00 C ATOM 829 CD PRO A 60 62.308 -7.327 11.716 1.00 0.00 C ATOM 0 HA PRO A 60 59.370 -5.983 12.345 1.00 0.00 H new ATOM 0 HB2 PRO A 60 60.836 -6.569 14.604 1.00 0.00 H new ATOM 0 HB3 PRO A 60 60.142 -7.846 13.624 1.00 0.00 H new ATOM 0 HG2 PRO A 60 62.970 -6.841 13.703 1.00 0.00 H new ATOM 0 HG3 PRO A 60 62.386 -8.484 13.526 1.00 0.00 H new ATOM 0 HD2 PRO A 60 63.294 -6.979 11.407 1.00 0.00 H new ATOM 0 HD3 PRO A 60 62.139 -8.284 11.223 1.00 0.00 H new ATOM 837 N GLY A 61 60.698 -3.603 12.127 1.00 0.00 N ATOM 838 CA GLY A 61 61.023 -2.200 12.513 1.00 0.00 C ATOM 839 C GLY A 61 62.149 -1.669 11.622 1.00 0.00 C ATOM 840 O GLY A 61 62.791 -0.686 11.937 1.00 0.00 O ATOM 0 H GLY A 61 60.414 -3.731 11.156 1.00 0.00 H new ATOM 0 HA2 GLY A 61 60.139 -1.571 12.413 1.00 0.00 H new ATOM 0 HA3 GLY A 61 61.325 -2.161 13.560 1.00 0.00 H new ATOM 844 N CYS A 62 62.397 -2.311 10.513 1.00 0.00 N ATOM 845 CA CYS A 62 63.485 -1.840 9.605 1.00 0.00 C ATOM 846 C CYS A 62 63.404 -0.321 9.412 1.00 0.00 C ATOM 847 O CYS A 62 62.339 0.233 9.222 1.00 0.00 O ATOM 848 CB CYS A 62 63.232 -2.562 8.280 1.00 0.00 C ATOM 849 SG CYS A 62 64.800 -3.185 7.629 1.00 0.00 S ATOM 0 H CYS A 62 61.895 -3.140 10.196 1.00 0.00 H new ATOM 0 HA CYS A 62 64.476 -2.053 10.007 1.00 0.00 H new ATOM 0 HB2 CYS A 62 62.534 -3.386 8.429 1.00 0.00 H new ATOM 0 HB3 CYS A 62 62.773 -1.881 7.564 1.00 0.00 H new ATOM 854 N LYS A 63 64.522 0.357 9.457 1.00 0.00 N ATOM 855 CA LYS A 63 64.505 1.840 9.273 1.00 0.00 C ATOM 856 C LYS A 63 65.712 2.279 8.439 1.00 0.00 C ATOM 857 O LYS A 63 66.843 2.054 8.812 1.00 0.00 O ATOM 858 CB LYS A 63 64.595 2.413 10.688 1.00 0.00 C ATOM 859 CG LYS A 63 64.724 3.936 10.617 1.00 0.00 C ATOM 860 CD LYS A 63 63.934 4.571 11.764 1.00 0.00 C ATOM 861 CE LYS A 63 62.720 5.311 11.197 1.00 0.00 C ATOM 862 NZ LYS A 63 62.771 6.664 11.816 1.00 0.00 N ATOM 0 H LYS A 63 65.444 -0.051 9.613 1.00 0.00 H new ATOM 0 HA LYS A 63 63.613 2.184 8.749 1.00 0.00 H new ATOM 0 HB2 LYS A 63 63.708 2.139 11.259 1.00 0.00 H new ATOM 0 HB3 LYS A 63 65.453 1.989 11.209 1.00 0.00 H new ATOM 0 HG2 LYS A 63 65.773 4.226 10.680 1.00 0.00 H new ATOM 0 HG3 LYS A 63 64.350 4.299 9.660 1.00 0.00 H new ATOM 0 HD2 LYS A 63 63.610 3.803 12.466 1.00 0.00 H new ATOM 0 HD3 LYS A 63 64.569 5.262 12.318 1.00 0.00 H new ATOM 0 HE2 LYS A 63 62.767 5.372 10.110 1.00 0.00 H new ATOM 0 HE3 LYS A 63 61.792 4.797 11.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 61.969 7.232 11.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 62.717 6.575 12.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 63.662 7.132 11.555 1.00 0.00 H new ATOM 876 N ILE A 64 65.486 2.899 7.309 1.00 0.00 N ATOM 877 CA ILE A 64 66.637 3.337 6.463 1.00 0.00 C ATOM 878 C ILE A 64 66.433 4.764 5.947 1.00 0.00 C ATOM 879 O ILE A 64 65.346 5.305 5.981 1.00 0.00 O ATOM 880 CB ILE A 64 66.668 2.357 5.291 1.00 0.00 C ATOM 881 CG1 ILE A 64 66.535 0.927 5.815 1.00 0.00 C ATOM 882 CG2 ILE A 64 67.993 2.499 4.541 1.00 0.00 C ATOM 883 CD1 ILE A 64 66.300 -0.026 4.642 1.00 0.00 C ATOM 0 H ILE A 64 64.562 3.120 6.938 1.00 0.00 H new ATOM 0 HA ILE A 64 67.568 3.340 7.030 1.00 0.00 H new ATOM 0 HB ILE A 64 65.841 2.576 4.616 1.00 0.00 H new ATOM 0 HG12 ILE A 64 67.438 0.641 6.355 1.00 0.00 H new ATOM 0 HG13 ILE A 64 65.707 0.863 6.521 1.00 0.00 H new ATOM 0 HG21 ILE A 64 68.015 1.800 3.705 1.00 0.00 H new ATOM 0 HG22 ILE A 64 68.091 3.517 4.165 1.00 0.00 H new ATOM 0 HG23 ILE A 64 68.819 2.281 5.218 1.00 0.00 H new ATOM 0 HD11 ILE A 64 66.205 -1.046 5.015 1.00 0.00 H new ATOM 0 HD12 ILE A 64 65.385 0.257 4.121 1.00 0.00 H new ATOM 0 HD13 ILE A 64 67.142 0.031 3.952 1.00 0.00 H new ATOM 895 N SER A 65 67.482 5.368 5.458 1.00 0.00 N ATOM 896 CA SER A 65 67.376 6.754 4.921 1.00 0.00 C ATOM 897 C SER A 65 68.493 6.994 3.902 1.00 0.00 C ATOM 898 O SER A 65 69.661 6.976 4.234 1.00 0.00 O ATOM 899 CB SER A 65 67.549 7.669 6.132 1.00 0.00 C ATOM 900 OG SER A 65 67.008 7.032 7.283 1.00 0.00 O ATOM 0 H SER A 65 68.414 4.957 5.407 1.00 0.00 H new ATOM 0 HA SER A 65 66.428 6.935 4.415 1.00 0.00 H new ATOM 0 HB2 SER A 65 68.605 7.890 6.287 1.00 0.00 H new ATOM 0 HB3 SER A 65 67.046 8.620 5.958 1.00 0.00 H new ATOM 0 HG SER A 65 67.119 7.616 8.062 1.00 0.00 H new ATOM 906 N THR A 66 68.146 7.211 2.662 1.00 0.00 N ATOM 907 CA THR A 66 69.194 7.442 1.627 1.00 0.00 C ATOM 908 C THR A 66 70.217 6.301 1.651 1.00 0.00 C ATOM 909 O THR A 66 71.237 6.381 2.304 1.00 0.00 O ATOM 910 CB THR A 66 69.851 8.768 2.011 1.00 0.00 C ATOM 911 OG1 THR A 66 68.856 9.669 2.475 1.00 0.00 O ATOM 912 CG2 THR A 66 70.550 9.365 0.787 1.00 0.00 C ATOM 0 H THR A 66 67.185 7.238 2.322 1.00 0.00 H new ATOM 0 HA THR A 66 68.780 7.476 0.619 1.00 0.00 H new ATOM 0 HB THR A 66 70.584 8.597 2.799 1.00 0.00 H new ATOM 0 HG1 THR A 66 69.275 10.519 2.723 1.00 0.00 H new ATOM 0 HG21 THR A 66 71.018 10.310 1.061 1.00 0.00 H new ATOM 0 HG22 THR A 66 71.312 8.673 0.429 1.00 0.00 H new ATOM 0 HG23 THR A 66 69.818 9.538 -0.002 1.00 0.00 H new ATOM 920 N CYS A 67 69.948 5.239 0.940 1.00 0.00 N ATOM 921 CA CYS A 67 70.899 4.086 0.915 1.00 0.00 C ATOM 922 C CYS A 67 70.802 3.357 -0.427 1.00 0.00 C ATOM 923 O CYS A 67 69.911 2.559 -0.642 1.00 0.00 O ATOM 924 CB CYS A 67 70.441 3.156 2.042 1.00 0.00 C ATOM 925 SG CYS A 67 70.934 3.842 3.637 1.00 0.00 S ATOM 0 H CYS A 67 69.109 5.118 0.373 1.00 0.00 H new ATOM 0 HA CYS A 67 71.932 4.409 1.044 1.00 0.00 H new ATOM 0 HB2 CYS A 67 69.359 3.033 2.007 1.00 0.00 H new ATOM 0 HB3 CYS A 67 70.879 2.166 1.910 1.00 0.00 H new ATOM 930 N ILE A 68 71.708 3.611 -1.330 1.00 0.00 N ATOM 931 CA ILE A 68 71.650 2.912 -2.644 1.00 0.00 C ATOM 932 C ILE A 68 71.941 1.421 -2.442 1.00 0.00 C ATOM 933 O ILE A 68 73.078 1.004 -2.367 1.00 0.00 O ATOM 934 CB ILE A 68 72.735 3.568 -3.499 1.00 0.00 C ATOM 935 CG1 ILE A 68 72.237 4.923 -4.010 1.00 0.00 C ATOM 936 CG2 ILE A 68 73.053 2.668 -4.692 1.00 0.00 C ATOM 937 CD1 ILE A 68 71.906 5.833 -2.826 1.00 0.00 C ATOM 0 H ILE A 68 72.481 4.267 -1.217 1.00 0.00 H new ATOM 0 HA ILE A 68 70.672 2.990 -3.118 1.00 0.00 H new ATOM 0 HB ILE A 68 73.632 3.713 -2.896 1.00 0.00 H new ATOM 0 HG12 ILE A 68 72.998 5.388 -4.636 1.00 0.00 H new ATOM 0 HG13 ILE A 68 71.353 4.785 -4.633 1.00 0.00 H new ATOM 0 HG21 ILE A 68 73.826 3.134 -5.303 1.00 0.00 H new ATOM 0 HG22 ILE A 68 73.406 1.701 -4.334 1.00 0.00 H new ATOM 0 HG23 ILE A 68 72.153 2.527 -5.291 1.00 0.00 H new ATOM 0 HD11 ILE A 68 71.552 6.796 -3.195 1.00 0.00 H new ATOM 0 HD12 ILE A 68 71.129 5.370 -2.217 1.00 0.00 H new ATOM 0 HD13 ILE A 68 72.800 5.983 -2.221 1.00 0.00 H new ATOM 949 N ILE A 69 70.920 0.618 -2.340 1.00 0.00 N ATOM 950 CA ILE A 69 71.139 -0.839 -2.127 1.00 0.00 C ATOM 951 C ILE A 69 70.889 -1.621 -3.424 1.00 0.00 C ATOM 952 O ILE A 69 70.248 -1.141 -4.337 1.00 0.00 O ATOM 953 CB ILE A 69 70.124 -1.220 -1.046 1.00 0.00 C ATOM 954 CG1 ILE A 69 70.377 -0.368 0.201 1.00 0.00 C ATOM 955 CG2 ILE A 69 70.269 -2.700 -0.686 1.00 0.00 C ATOM 956 CD1 ILE A 69 69.044 -0.038 0.874 1.00 0.00 C ATOM 0 H ILE A 69 69.943 0.907 -2.395 1.00 0.00 H new ATOM 0 HA ILE A 69 72.162 -1.071 -1.831 1.00 0.00 H new ATOM 0 HB ILE A 69 69.116 -1.043 -1.421 1.00 0.00 H new ATOM 0 HG12 ILE A 69 71.024 -0.904 0.895 1.00 0.00 H new ATOM 0 HG13 ILE A 69 70.895 0.551 -0.073 1.00 0.00 H new ATOM 0 HG21 ILE A 69 69.542 -2.960 0.084 1.00 0.00 H new ATOM 0 HG22 ILE A 69 70.092 -3.309 -1.573 1.00 0.00 H new ATOM 0 HG23 ILE A 69 71.276 -2.887 -0.312 1.00 0.00 H new ATOM 0 HD11 ILE A 69 69.225 0.568 1.762 1.00 0.00 H new ATOM 0 HD12 ILE A 69 68.413 0.515 0.179 1.00 0.00 H new ATOM 0 HD13 ILE A 69 68.543 -0.962 1.162 1.00 0.00 H new ATOM 968 N THR A 70 71.399 -2.821 -3.510 1.00 0.00 N ATOM 969 CA THR A 70 71.198 -3.636 -4.744 1.00 0.00 C ATOM 970 C THR A 70 71.514 -5.107 -4.457 1.00 0.00 C ATOM 971 O THR A 70 72.652 -5.476 -4.246 1.00 0.00 O ATOM 972 CB THR A 70 72.185 -3.063 -5.761 1.00 0.00 C ATOM 973 OG1 THR A 70 71.773 -1.753 -6.128 1.00 0.00 O ATOM 974 CG2 THR A 70 72.219 -3.956 -7.002 1.00 0.00 C ATOM 0 H THR A 70 71.947 -3.273 -2.778 1.00 0.00 H new ATOM 0 HA THR A 70 70.171 -3.595 -5.107 1.00 0.00 H new ATOM 0 HB THR A 70 73.181 -3.022 -5.320 1.00 0.00 H new ATOM 0 HG1 THR A 70 70.828 -1.632 -5.900 1.00 0.00 H new ATOM 0 HG21 THR A 70 72.923 -3.546 -7.726 1.00 0.00 H new ATOM 0 HG22 THR A 70 72.533 -4.961 -6.719 1.00 0.00 H new ATOM 0 HG23 THR A 70 71.225 -3.999 -7.447 1.00 0.00 H new ATOM 982 N GLY A 71 70.517 -5.948 -4.440 1.00 0.00 N ATOM 983 CA GLY A 71 70.765 -7.391 -4.156 1.00 0.00 C ATOM 984 C GLY A 71 70.767 -7.606 -2.644 1.00 0.00 C ATOM 985 O GLY A 71 71.299 -8.577 -2.142 1.00 0.00 O ATOM 0 H GLY A 71 69.542 -5.700 -4.610 1.00 0.00 H new ATOM 0 HA2 GLY A 71 69.994 -8.005 -4.623 1.00 0.00 H new ATOM 0 HA3 GLY A 71 71.720 -7.700 -4.582 1.00 0.00 H new ATOM 989 N GLY A 72 70.177 -6.699 -1.917 1.00 0.00 N ATOM 990 CA GLY A 72 70.137 -6.833 -0.435 1.00 0.00 C ATOM 991 C GLY A 72 71.405 -6.227 0.168 1.00 0.00 C ATOM 992 O GLY A 72 71.705 -6.413 1.330 1.00 0.00 O ATOM 0 H GLY A 72 69.719 -5.867 -2.288 1.00 0.00 H new ATOM 0 HA2 GLY A 72 69.256 -6.329 -0.038 1.00 0.00 H new ATOM 0 HA3 GLY A 72 70.056 -7.884 -0.157 1.00 0.00 H new ATOM 996 N VAL A 73 72.151 -5.507 -0.618 1.00 0.00 N ATOM 997 CA VAL A 73 73.407 -4.887 -0.103 1.00 0.00 C ATOM 998 C VAL A 73 73.328 -3.362 -0.208 1.00 0.00 C ATOM 999 O VAL A 73 72.869 -2.842 -1.201 1.00 0.00 O ATOM 1000 CB VAL A 73 74.497 -5.407 -1.032 1.00 0.00 C ATOM 1001 CG1 VAL A 73 74.396 -6.929 -1.147 1.00 0.00 C ATOM 1002 CG2 VAL A 73 74.302 -4.778 -2.412 1.00 0.00 C ATOM 0 H VAL A 73 71.947 -5.319 -1.599 1.00 0.00 H new ATOM 0 HA VAL A 73 73.589 -5.132 0.943 1.00 0.00 H new ATOM 0 HB VAL A 73 75.478 -5.145 -0.635 1.00 0.00 H new ATOM 0 HG11 VAL A 73 75.177 -7.296 -1.812 1.00 0.00 H new ATOM 0 HG12 VAL A 73 74.519 -7.377 -0.161 1.00 0.00 H new ATOM 0 HG13 VAL A 73 73.420 -7.199 -1.550 1.00 0.00 H new ATOM 0 HG21 VAL A 73 75.075 -5.140 -3.090 1.00 0.00 H new ATOM 0 HG22 VAL A 73 73.321 -5.051 -2.801 1.00 0.00 H new ATOM 0 HG23 VAL A 73 74.370 -3.693 -2.330 1.00 0.00 H new ATOM 1012 N PRO A 74 73.793 -2.697 0.814 1.00 0.00 N ATOM 1013 CA PRO A 74 73.787 -1.217 0.820 1.00 0.00 C ATOM 1014 C PRO A 74 74.978 -0.682 0.017 1.00 0.00 C ATOM 1015 O PRO A 74 75.991 -1.340 -0.117 1.00 0.00 O ATOM 1016 CB PRO A 74 73.929 -0.868 2.296 1.00 0.00 C ATOM 1017 CG PRO A 74 74.612 -2.047 2.923 1.00 0.00 C ATOM 1018 CD PRO A 74 74.357 -3.253 2.047 1.00 0.00 C ATOM 0 HA PRO A 74 72.893 -0.786 0.369 1.00 0.00 H new ATOM 0 HB2 PRO A 74 74.515 0.041 2.430 1.00 0.00 H new ATOM 0 HB3 PRO A 74 72.955 -0.690 2.753 1.00 0.00 H new ATOM 0 HG2 PRO A 74 75.682 -1.863 3.016 1.00 0.00 H new ATOM 0 HG3 PRO A 74 74.229 -2.219 3.929 1.00 0.00 H new ATOM 0 HD2 PRO A 74 75.278 -3.803 1.850 1.00 0.00 H new ATOM 0 HD3 PRO A 74 73.665 -3.949 2.521 1.00 0.00 H new ATOM 1026 N ALA A 75 74.868 0.504 -0.517 1.00 0.00 N ATOM 1027 CA ALA A 75 75.999 1.072 -1.310 1.00 0.00 C ATOM 1028 C ALA A 75 77.029 1.719 -0.380 1.00 0.00 C ATOM 1029 O ALA A 75 76.737 2.015 0.762 1.00 0.00 O ATOM 1030 CB ALA A 75 75.364 2.130 -2.211 1.00 0.00 C ATOM 0 H ALA A 75 74.047 1.104 -0.440 1.00 0.00 H new ATOM 0 HA ALA A 75 76.521 0.305 -1.883 1.00 0.00 H new ATOM 0 HB1 ALA A 75 76.135 2.594 -2.826 1.00 0.00 H new ATOM 0 HB2 ALA A 75 74.620 1.661 -2.854 1.00 0.00 H new ATOM 0 HB3 ALA A 75 74.884 2.891 -1.596 1.00 0.00 H new ATOM 1036 N PRO A 76 78.204 1.921 -0.911 1.00 0.00 N ATOM 1037 CA PRO A 76 79.297 2.545 -0.127 1.00 0.00 C ATOM 1038 C PRO A 76 79.046 4.048 0.031 1.00 0.00 C ATOM 1039 O PRO A 76 79.889 4.864 -0.285 1.00 0.00 O ATOM 1040 CB PRO A 76 80.538 2.289 -0.978 1.00 0.00 C ATOM 1041 CG PRO A 76 80.026 2.124 -2.375 1.00 0.00 C ATOM 1042 CD PRO A 76 78.622 1.586 -2.276 1.00 0.00 C ATOM 0 HA PRO A 76 79.387 2.142 0.882 1.00 0.00 H new ATOM 0 HB2 PRO A 76 81.240 3.120 -0.911 1.00 0.00 H new ATOM 0 HB3 PRO A 76 81.068 1.397 -0.644 1.00 0.00 H new ATOM 0 HG2 PRO A 76 80.036 3.077 -2.903 1.00 0.00 H new ATOM 0 HG3 PRO A 76 80.661 1.440 -2.939 1.00 0.00 H new ATOM 0 HD2 PRO A 76 77.967 2.044 -3.017 1.00 0.00 H new ATOM 0 HD3 PRO A 76 78.595 0.510 -2.448 1.00 0.00 H new ATOM 1050 N SER A 77 77.892 4.421 0.516 1.00 0.00 N ATOM 1051 CA SER A 77 77.590 5.871 0.692 1.00 0.00 C ATOM 1052 C SER A 77 77.699 6.260 2.168 1.00 0.00 C ATOM 1053 O SER A 77 77.268 5.537 3.044 1.00 0.00 O ATOM 1054 CB SER A 77 76.153 6.040 0.200 1.00 0.00 C ATOM 1055 OG SER A 77 76.162 6.263 -1.204 1.00 0.00 O ATOM 0 H SER A 77 77.146 3.785 0.798 1.00 0.00 H new ATOM 0 HA SER A 77 78.286 6.506 0.144 1.00 0.00 H new ATOM 0 HB2 SER A 77 75.569 5.150 0.435 1.00 0.00 H new ATOM 0 HB3 SER A 77 75.678 6.878 0.710 1.00 0.00 H new ATOM 0 HG SER A 77 75.242 6.370 -1.524 1.00 0.00 H new ATOM 1061 N ALA A 78 78.271 7.397 2.449 1.00 0.00 N ATOM 1062 CA ALA A 78 78.407 7.832 3.869 1.00 0.00 C ATOM 1063 C ALA A 78 77.104 8.475 4.353 1.00 0.00 C ATOM 1064 O ALA A 78 76.823 8.515 5.534 1.00 0.00 O ATOM 1065 CB ALA A 78 79.541 8.857 3.862 1.00 0.00 C ATOM 0 H ALA A 78 78.650 8.044 1.758 1.00 0.00 H new ATOM 0 HA ALA A 78 78.616 6.998 4.538 1.00 0.00 H new ATOM 0 HB1 ALA A 78 79.704 9.227 4.874 1.00 0.00 H new ATOM 0 HB2 ALA A 78 80.454 8.387 3.496 1.00 0.00 H new ATOM 0 HB3 ALA A 78 79.275 9.689 3.210 1.00 0.00 H new ATOM 1071 N ALA A 79 76.308 8.981 3.451 1.00 0.00 N ATOM 1072 CA ALA A 79 75.028 9.624 3.866 1.00 0.00 C ATOM 1073 C ALA A 79 73.946 8.564 4.092 1.00 0.00 C ATOM 1074 O ALA A 79 72.799 8.880 4.333 1.00 0.00 O ATOM 1075 CB ALA A 79 74.649 10.544 2.705 1.00 0.00 C ATOM 0 H ALA A 79 76.488 8.977 2.447 1.00 0.00 H new ATOM 0 HA ALA A 79 75.129 10.173 4.802 1.00 0.00 H new ATOM 0 HB1 ALA A 79 73.714 11.055 2.936 1.00 0.00 H new ATOM 0 HB2 ALA A 79 75.437 11.281 2.553 1.00 0.00 H new ATOM 0 HB3 ALA A 79 74.525 9.953 1.798 1.00 0.00 H new ATOM 1081 N CYS A 80 74.301 7.310 4.020 1.00 0.00 N ATOM 1082 CA CYS A 80 73.288 6.237 4.238 1.00 0.00 C ATOM 1083 C CYS A 80 73.418 5.678 5.662 1.00 0.00 C ATOM 1084 O CYS A 80 74.468 5.740 6.270 1.00 0.00 O ATOM 1085 CB CYS A 80 73.603 5.170 3.179 1.00 0.00 C ATOM 1086 SG CYS A 80 72.932 3.566 3.687 1.00 0.00 S ATOM 0 H CYS A 80 75.246 6.982 3.820 1.00 0.00 H new ATOM 0 HA CYS A 80 72.263 6.596 4.141 1.00 0.00 H new ATOM 0 HB2 CYS A 80 73.177 5.463 2.219 1.00 0.00 H new ATOM 0 HB3 CYS A 80 74.681 5.093 3.039 1.00 0.00 H new ATOM 1091 N LYS A 81 72.354 5.143 6.200 1.00 0.00 N ATOM 1092 CA LYS A 81 72.409 4.593 7.584 1.00 0.00 C ATOM 1093 C LYS A 81 72.498 3.066 7.562 1.00 0.00 C ATOM 1094 O LYS A 81 72.714 2.457 6.533 1.00 0.00 O ATOM 1095 CB LYS A 81 71.097 5.034 8.232 1.00 0.00 C ATOM 1096 CG LYS A 81 69.930 4.306 7.559 1.00 0.00 C ATOM 1097 CD LYS A 81 69.314 3.305 8.541 1.00 0.00 C ATOM 1098 CE LYS A 81 69.379 1.893 7.949 1.00 0.00 C ATOM 1099 NZ LYS A 81 68.990 0.991 9.067 1.00 0.00 N ATOM 0 H LYS A 81 71.448 5.064 5.739 1.00 0.00 H new ATOM 0 HA LYS A 81 73.285 4.949 8.127 1.00 0.00 H new ATOM 0 HB2 LYS A 81 71.112 4.812 9.299 1.00 0.00 H new ATOM 0 HB3 LYS A 81 70.974 6.112 8.133 1.00 0.00 H new ATOM 0 HG2 LYS A 81 69.177 5.025 7.237 1.00 0.00 H new ATOM 0 HG3 LYS A 81 70.278 3.787 6.666 1.00 0.00 H new ATOM 0 HD2 LYS A 81 69.849 3.337 9.490 1.00 0.00 H new ATOM 0 HD3 LYS A 81 68.279 3.575 8.749 1.00 0.00 H new ATOM 0 HE2 LYS A 81 68.701 1.788 7.102 1.00 0.00 H new ATOM 0 HE3 LYS A 81 70.380 1.663 7.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 69.411 0.052 8.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 69.332 1.385 9.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 67.954 0.905 9.099 1.00 0.00 H new ATOM 1113 N ILE A 82 72.330 2.450 8.699 1.00 0.00 N ATOM 1114 CA ILE A 82 72.400 0.963 8.777 1.00 0.00 C ATOM 1115 C ILE A 82 72.190 0.523 10.234 1.00 0.00 C ATOM 1116 O ILE A 82 72.759 -0.445 10.699 1.00 0.00 O ATOM 1117 CB ILE A 82 73.801 0.611 8.243 1.00 0.00 C ATOM 1118 CG1 ILE A 82 73.701 -0.643 7.372 1.00 0.00 C ATOM 1119 CG2 ILE A 82 74.787 0.362 9.391 1.00 0.00 C ATOM 1120 CD1 ILE A 82 72.949 -0.307 6.080 1.00 0.00 C ATOM 0 H ILE A 82 72.145 2.918 9.586 1.00 0.00 H new ATOM 0 HA ILE A 82 71.632 0.453 8.196 1.00 0.00 H new ATOM 0 HB ILE A 82 74.172 1.451 7.656 1.00 0.00 H new ATOM 0 HG12 ILE A 82 74.698 -1.017 7.139 1.00 0.00 H new ATOM 0 HG13 ILE A 82 73.182 -1.434 7.913 1.00 0.00 H new ATOM 0 HG21 ILE A 82 75.767 0.116 8.982 1.00 0.00 H new ATOM 0 HG22 ILE A 82 74.865 1.259 10.005 1.00 0.00 H new ATOM 0 HG23 ILE A 82 74.431 -0.466 10.003 1.00 0.00 H new ATOM 0 HD11 ILE A 82 72.877 -1.199 5.458 1.00 0.00 H new ATOM 0 HD12 ILE A 82 71.947 0.047 6.324 1.00 0.00 H new ATOM 0 HD13 ILE A 82 73.487 0.470 5.538 1.00 0.00 H new ATOM 1132 N SER A 83 71.374 1.246 10.955 1.00 0.00 N ATOM 1133 CA SER A 83 71.119 0.904 12.384 1.00 0.00 C ATOM 1134 C SER A 83 70.476 -0.481 12.518 1.00 0.00 C ATOM 1135 O SER A 83 71.156 -1.483 12.612 1.00 0.00 O ATOM 1136 CB SER A 83 70.164 1.987 12.883 1.00 0.00 C ATOM 1137 OG SER A 83 70.916 3.114 13.314 1.00 0.00 O ATOM 0 H SER A 83 70.870 2.064 10.612 1.00 0.00 H new ATOM 0 HA SER A 83 72.044 0.867 12.960 1.00 0.00 H new ATOM 0 HB2 SER A 83 69.477 2.276 12.088 1.00 0.00 H new ATOM 0 HB3 SER A 83 69.558 1.604 13.704 1.00 0.00 H new ATOM 0 HG SER A 83 70.306 3.812 13.633 1.00 0.00 H new ATOM 1143 N GLY A 84 69.171 -0.547 12.551 1.00 0.00 N ATOM 1144 CA GLY A 84 68.501 -1.870 12.707 1.00 0.00 C ATOM 1145 C GLY A 84 67.596 -2.162 11.510 1.00 0.00 C ATOM 1146 O GLY A 84 66.401 -1.953 11.561 1.00 0.00 O ATOM 0 H GLY A 84 68.544 0.254 12.477 1.00 0.00 H new ATOM 0 HA2 GLY A 84 69.252 -2.655 12.801 1.00 0.00 H new ATOM 0 HA3 GLY A 84 67.913 -1.879 13.625 1.00 0.00 H new ATOM 1150 N CYS A 85 68.149 -2.658 10.438 1.00 0.00 N ATOM 1151 CA CYS A 85 67.303 -2.975 9.254 1.00 0.00 C ATOM 1152 C CYS A 85 67.836 -4.226 8.547 1.00 0.00 C ATOM 1153 O CYS A 85 68.450 -5.080 9.155 1.00 0.00 O ATOM 1154 CB CYS A 85 67.420 -1.748 8.349 1.00 0.00 C ATOM 1155 SG CYS A 85 65.908 -1.515 7.369 1.00 0.00 S ATOM 0 H CYS A 85 69.144 -2.856 10.331 1.00 0.00 H new ATOM 0 HA CYS A 85 66.267 -3.183 9.523 1.00 0.00 H new ATOM 0 HB2 CYS A 85 67.605 -0.861 8.955 1.00 0.00 H new ATOM 0 HB3 CYS A 85 68.275 -1.863 7.683 1.00 0.00 H new ATOM 1160 N THR A 86 67.607 -4.335 7.269 1.00 0.00 N ATOM 1161 CA THR A 86 68.099 -5.523 6.515 1.00 0.00 C ATOM 1162 C THR A 86 67.554 -5.496 5.091 1.00 0.00 C ATOM 1163 O THR A 86 66.470 -5.010 4.837 1.00 0.00 O ATOM 1164 CB THR A 86 67.566 -6.745 7.264 1.00 0.00 C ATOM 1165 OG1 THR A 86 67.668 -7.887 6.424 1.00 0.00 O ATOM 1166 CG2 THR A 86 66.100 -6.529 7.652 1.00 0.00 C ATOM 0 H THR A 86 67.098 -3.650 6.711 1.00 0.00 H new ATOM 0 HA THR A 86 69.187 -5.539 6.450 1.00 0.00 H new ATOM 0 HB THR A 86 68.154 -6.895 8.170 1.00 0.00 H new ATOM 0 HG1 THR A 86 67.329 -8.674 6.899 1.00 0.00 H new ATOM 0 HG21 THR A 86 65.732 -7.406 8.185 1.00 0.00 H new ATOM 0 HG22 THR A 86 66.019 -5.653 8.296 1.00 0.00 H new ATOM 0 HG23 THR A 86 65.504 -6.374 6.752 1.00 0.00 H new ATOM 1174 N PHE A 87 68.299 -6.012 4.158 1.00 0.00 N ATOM 1175 CA PHE A 87 67.822 -6.010 2.746 1.00 0.00 C ATOM 1176 C PHE A 87 67.695 -7.444 2.225 1.00 0.00 C ATOM 1177 O PHE A 87 66.902 -7.727 1.353 1.00 0.00 O ATOM 1178 CB PHE A 87 68.892 -5.258 1.949 1.00 0.00 C ATOM 1179 CG PHE A 87 69.430 -4.089 2.742 1.00 0.00 C ATOM 1180 CD1 PHE A 87 68.586 -3.362 3.592 1.00 0.00 C ATOM 1181 CD2 PHE A 87 70.781 -3.737 2.627 1.00 0.00 C ATOM 1182 CE1 PHE A 87 69.095 -2.283 4.327 1.00 0.00 C ATOM 1183 CE2 PHE A 87 71.288 -2.660 3.363 1.00 0.00 C ATOM 1184 CZ PHE A 87 70.445 -1.933 4.212 1.00 0.00 C ATOM 0 H PHE A 87 69.215 -6.434 4.309 1.00 0.00 H new ATOM 0 HA PHE A 87 66.842 -5.542 2.655 1.00 0.00 H new ATOM 0 HB2 PHE A 87 69.706 -5.936 1.695 1.00 0.00 H new ATOM 0 HB3 PHE A 87 68.469 -4.902 1.010 1.00 0.00 H new ATOM 0 HD1 PHE A 87 67.544 -3.633 3.681 1.00 0.00 H new ATOM 0 HD2 PHE A 87 71.431 -4.296 1.971 1.00 0.00 H new ATOM 0 HE1 PHE A 87 68.445 -1.722 4.982 1.00 0.00 H new ATOM 0 HE2 PHE A 87 72.330 -2.390 3.276 1.00 0.00 H new ATOM 0 HZ PHE A 87 70.837 -1.101 4.779 1.00 0.00 H new ATOM 1194 N SER A 88 68.477 -8.351 2.740 1.00 0.00 N ATOM 1195 CA SER A 88 68.398 -9.757 2.252 1.00 0.00 C ATOM 1196 C SER A 88 68.538 -9.777 0.727 1.00 0.00 C ATOM 1197 O SER A 88 69.631 -9.852 0.203 1.00 0.00 O ATOM 1198 CB SER A 88 67.015 -10.250 2.677 1.00 0.00 C ATOM 1199 OG SER A 88 66.963 -10.335 4.095 1.00 0.00 O ATOM 0 H SER A 88 69.164 -8.182 3.474 1.00 0.00 H new ATOM 0 HA SER A 88 69.188 -10.389 2.658 1.00 0.00 H new ATOM 0 HB2 SER A 88 66.246 -9.569 2.313 1.00 0.00 H new ATOM 0 HB3 SER A 88 66.812 -11.225 2.235 1.00 0.00 H new ATOM 0 HG SER A 88 66.077 -10.649 4.372 1.00 0.00 H new ATOM 1205 N ALA A 89 67.434 -9.694 0.020 1.00 0.00 N ATOM 1206 CA ALA A 89 67.463 -9.688 -1.482 1.00 0.00 C ATOM 1207 C ALA A 89 66.106 -10.143 -2.027 1.00 0.00 C ATOM 1208 O ALA A 89 65.958 -11.250 -2.508 1.00 0.00 O ATOM 1209 CB ALA A 89 68.560 -10.671 -1.904 1.00 0.00 C ATOM 0 H ALA A 89 66.500 -9.629 0.425 1.00 0.00 H new ATOM 0 HA ALA A 89 67.664 -8.690 -1.872 1.00 0.00 H new ATOM 0 HB1 ALA A 89 68.621 -10.703 -2.992 1.00 0.00 H new ATOM 0 HB2 ALA A 89 69.517 -10.345 -1.496 1.00 0.00 H new ATOM 0 HB3 ALA A 89 68.323 -11.665 -1.525 1.00 0.00 H new ATOM 1215 N ASN A 90 65.113 -9.298 -1.950 1.00 0.00 N ATOM 1216 CA ASN A 90 63.765 -9.681 -2.458 1.00 0.00 C ATOM 1217 C ASN A 90 63.845 -10.029 -3.951 1.00 0.00 C ATOM 1218 O ASN A 90 64.425 -9.251 -4.691 1.00 0.00 O ATOM 1219 CB ASN A 90 62.877 -8.445 -2.187 1.00 0.00 C ATOM 1220 CG ASN A 90 62.380 -7.815 -3.497 1.00 0.00 C ATOM 1221 OD1 ASN A 90 63.198 -7.096 -4.214 1.00 0.00 O flip ATOM 1222 ND2 ASN A 90 61.235 -7.984 -3.869 1.00 0.00 N flip ATOM 1223 OXT ASN A 90 63.325 -11.068 -4.326 1.00 0.00 O ATOM 0 H ASN A 90 65.178 -8.359 -1.557 1.00 0.00 H new ATOM 0 HA ASN A 90 63.357 -10.567 -1.971 1.00 0.00 H new ATOM 0 HB2 ASN A 90 62.024 -8.735 -1.574 1.00 0.00 H new ATOM 0 HB3 ASN A 90 63.442 -7.707 -1.618 1.00 0.00 H new ATOM 0 HD21 ASN A 90 60.594 -8.546 -3.309 1.00 0.00 H new ATOM 0 HD22 ASN A 90 60.915 -7.564 -4.741 1.00 0.00 H new TER 1230 ASN A 90