USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 495 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 67 THR OG1 : rot -62:sc= 1.07 USER MOD Set 1.2: A 76 ASN : amide:sc= 0.915 K(o=2,f=-1.1) USER MOD Set 2.1: A 48 LYS NZ :NH3+ 133:sc= -0.0511 (180deg=-0.55) USER MOD Set 2.2: A 71 ASN :FLIP amide:sc= -0.389 F(o=-1.2,f=-0.44) USER MOD Set 3.1: A 46 SER OG : rot 139:sc= 0.374 USER MOD Set 3.2: A 65 MET CE :methyl -171:sc= -0.852 (180deg=-1.08) USER MOD Single : A 28 CYS SG : rot 17:sc= 0.238 USER MOD Single : A 34 HIS : no HD1:sc= -2.27 X(o=-2.3,f=-2.1!) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 CYS SG : rot 180:sc= -0.395 USER MOD Single : A 60 LYS NZ :NH3+ 172:sc= -0.665 (180deg=-0.817) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 MET CE :methyl -119:sc= -0.0566 (180deg=-0.538) USER MOD Single : A 69 MET CE :methyl 165:sc=-0.00653 (180deg=-0.369) USER MOD Single : A 72 ASN : amide:sc= -0.239 K(o=-0.24,f=-1.8!) USER MOD Single : A 73 LYS NZ :NH3+ -155:sc= -0.218 (180deg=-1.1) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 25 1.958 0.838 -1.571 1.00 0.00 N ATOM 2 CA GLY A 25 3.004 -0.185 -1.853 1.00 0.00 C ATOM 3 C GLY A 25 4.229 0.084 -0.987 1.00 0.00 C ATOM 4 O GLY A 25 4.215 0.969 -0.131 1.00 0.00 O ATOM 0 HA2 GLY A 25 2.615 -1.183 -1.650 1.00 0.00 H new ATOM 0 HA3 GLY A 25 3.279 -0.158 -2.908 1.00 0.00 H new ATOM 7 N PRO A 26 5.279 -0.662 -1.196 1.00 0.00 N ATOM 8 CA PRO A 26 6.546 -0.509 -0.424 1.00 0.00 C ATOM 9 C PRO A 26 7.275 0.787 -0.766 1.00 0.00 C ATOM 10 O PRO A 26 7.142 1.313 -1.871 1.00 0.00 O ATOM 11 CB PRO A 26 7.373 -1.728 -0.838 1.00 0.00 C ATOM 12 CG PRO A 26 6.851 -2.119 -2.180 1.00 0.00 C ATOM 13 CD PRO A 26 5.370 -1.738 -2.195 1.00 0.00 C ATOM 0 HA PRO A 26 6.367 -0.456 0.650 1.00 0.00 H new ATOM 0 HB2 PRO A 26 8.435 -1.486 -0.884 1.00 0.00 H new ATOM 0 HB3 PRO A 26 7.262 -2.541 -0.120 1.00 0.00 H new ATOM 0 HG2 PRO A 26 7.393 -1.603 -2.973 1.00 0.00 H new ATOM 0 HG3 PRO A 26 6.979 -3.188 -2.350 1.00 0.00 H new ATOM 0 HD2 PRO A 26 5.054 -1.397 -3.181 1.00 0.00 H new ATOM 0 HD3 PRO A 26 4.736 -2.584 -1.931 1.00 0.00 H new ATOM 21 N PHE A 27 8.041 1.299 0.190 1.00 0.00 N ATOM 22 CA PHE A 27 8.784 2.536 -0.014 1.00 0.00 C ATOM 23 C PHE A 27 10.262 2.338 0.309 1.00 0.00 C ATOM 24 O PHE A 27 10.620 1.461 1.094 1.00 0.00 O ATOM 25 CB PHE A 27 8.220 3.645 0.872 1.00 0.00 C ATOM 26 CG PHE A 27 6.783 3.916 0.488 1.00 0.00 C ATOM 27 CD1 PHE A 27 5.739 3.359 1.238 1.00 0.00 C ATOM 28 CD2 PHE A 27 6.495 4.722 -0.620 1.00 0.00 C ATOM 29 CE1 PHE A 27 4.408 3.611 0.880 1.00 0.00 C ATOM 30 CE2 PHE A 27 5.166 4.973 -0.978 1.00 0.00 C ATOM 31 CZ PHE A 27 4.122 4.418 -0.228 1.00 0.00 C ATOM 0 H PHE A 27 8.164 0.878 1.111 1.00 0.00 H new ATOM 0 HA PHE A 27 8.683 2.820 -1.062 1.00 0.00 H new ATOM 0 HB2 PHE A 27 8.278 3.352 1.920 1.00 0.00 H new ATOM 0 HB3 PHE A 27 8.815 4.552 0.761 1.00 0.00 H new ATOM 0 HD1 PHE A 27 5.960 2.736 2.092 1.00 0.00 H new ATOM 0 HD2 PHE A 27 7.300 5.150 -1.199 1.00 0.00 H new ATOM 0 HE1 PHE A 27 3.603 3.183 1.459 1.00 0.00 H new ATOM 0 HE2 PHE A 27 4.945 5.595 -1.833 1.00 0.00 H new ATOM 0 HZ PHE A 27 3.096 4.612 -0.504 1.00 0.00 H new ATOM 41 N CYS A 28 11.118 3.149 -0.310 1.00 0.00 N ATOM 42 CA CYS A 28 12.550 3.044 -0.083 1.00 0.00 C ATOM 43 C CYS A 28 12.870 3.280 1.388 1.00 0.00 C ATOM 44 O CYS A 28 12.150 3.989 2.086 1.00 0.00 O ATOM 45 CB CYS A 28 13.286 4.079 -0.939 1.00 0.00 C ATOM 46 SG CYS A 28 13.014 5.733 -0.255 1.00 0.00 S ATOM 0 H CYS A 28 10.844 3.879 -0.967 1.00 0.00 H new ATOM 0 HA CYS A 28 12.877 2.042 -0.361 1.00 0.00 H new ATOM 0 HB2 CYS A 28 14.352 3.855 -0.963 1.00 0.00 H new ATOM 0 HB3 CYS A 28 12.928 4.036 -1.968 1.00 0.00 H new ATOM 0 HG CYS A 28 12.577 5.632 0.965 1.00 0.00 H new ATOM 52 N GLY A 29 13.953 2.676 1.846 1.00 0.00 N ATOM 53 CA GLY A 29 14.367 2.814 3.240 1.00 0.00 C ATOM 54 C GLY A 29 15.569 1.924 3.550 1.00 0.00 C ATOM 55 O GLY A 29 16.493 1.806 2.746 1.00 0.00 O ATOM 0 H GLY A 29 14.562 2.087 1.279 1.00 0.00 H new ATOM 0 HA2 GLY A 29 14.619 3.854 3.446 1.00 0.00 H new ATOM 0 HA3 GLY A 29 13.537 2.551 3.896 1.00 0.00 H new ATOM 59 N ARG A 30 15.552 1.306 4.726 1.00 0.00 N ATOM 60 CA ARG A 30 16.648 0.433 5.134 1.00 0.00 C ATOM 61 C ARG A 30 16.119 -0.940 5.534 1.00 0.00 C ATOM 62 O ARG A 30 14.978 -1.071 5.975 1.00 0.00 O ATOM 63 CB ARG A 30 17.399 1.050 6.315 1.00 0.00 C ATOM 64 CG ARG A 30 18.004 2.389 5.891 1.00 0.00 C ATOM 65 CD ARG A 30 18.915 2.911 7.004 1.00 0.00 C ATOM 66 NE ARG A 30 19.405 4.243 6.667 1.00 0.00 N ATOM 67 CZ ARG A 30 20.422 4.413 5.826 1.00 0.00 C ATOM 68 NH1 ARG A 30 21.004 3.380 5.271 1.00 0.00 N ATOM 69 NH2 ARG A 30 20.838 5.619 5.545 1.00 0.00 N ATOM 0 H ARG A 30 14.799 1.392 5.409 1.00 0.00 H new ATOM 0 HA ARG A 30 17.327 0.320 4.289 1.00 0.00 H new ATOM 0 HB2 ARG A 30 16.720 1.195 7.155 1.00 0.00 H new ATOM 0 HB3 ARG A 30 18.185 0.374 6.653 1.00 0.00 H new ATOM 0 HG2 ARG A 30 18.572 2.268 4.968 1.00 0.00 H new ATOM 0 HG3 ARG A 30 17.212 3.110 5.686 1.00 0.00 H new ATOM 0 HD2 ARG A 30 18.369 2.944 7.947 1.00 0.00 H new ATOM 0 HD3 ARG A 30 19.755 2.231 7.146 1.00 0.00 H new ATOM 0 HE ARG A 30 18.959 5.060 7.084 1.00 0.00 H new ATOM 0 HH11 ARG A 30 20.678 2.437 5.482 1.00 0.00 H new ATOM 0 HH12 ARG A 30 21.783 3.518 4.627 1.00 0.00 H new ATOM 0 HH21 ARG A 30 20.383 6.427 5.970 1.00 0.00 H new ATOM 0 HH22 ARG A 30 21.617 5.752 4.901 1.00 0.00 H new ATOM 83 N ALA A 31 16.952 -1.962 5.365 1.00 0.00 N ATOM 84 CA ALA A 31 16.557 -3.323 5.709 1.00 0.00 C ATOM 85 C ALA A 31 17.531 -3.924 6.720 1.00 0.00 C ATOM 86 O ALA A 31 18.746 -3.791 6.580 1.00 0.00 O ATOM 87 CB ALA A 31 16.526 -4.193 4.449 1.00 0.00 C ATOM 0 H ALA A 31 17.898 -1.875 4.995 1.00 0.00 H new ATOM 0 HA ALA A 31 15.562 -3.291 6.153 1.00 0.00 H new ATOM 0 HB1 ALA A 31 16.230 -5.208 4.715 1.00 0.00 H new ATOM 0 HB2 ALA A 31 15.809 -3.780 3.739 1.00 0.00 H new ATOM 0 HB3 ALA A 31 17.517 -4.211 3.995 1.00 0.00 H new ATOM 93 N ARG A 32 16.989 -4.587 7.735 1.00 0.00 N ATOM 94 CA ARG A 32 17.819 -5.205 8.759 1.00 0.00 C ATOM 95 C ARG A 32 17.922 -6.710 8.519 1.00 0.00 C ATOM 96 O ARG A 32 16.911 -7.408 8.444 1.00 0.00 O ATOM 97 CB ARG A 32 17.214 -4.951 10.140 1.00 0.00 C ATOM 98 CG ARG A 32 17.000 -3.451 10.333 1.00 0.00 C ATOM 99 CD ARG A 32 16.795 -3.149 11.812 1.00 0.00 C ATOM 100 NE ARG A 32 15.611 -3.836 12.314 1.00 0.00 N ATOM 101 CZ ARG A 32 15.310 -3.836 13.611 1.00 0.00 C ATOM 102 NH1 ARG A 32 16.079 -3.214 14.468 1.00 0.00 N ATOM 103 NH2 ARG A 32 14.240 -4.458 14.030 1.00 0.00 N ATOM 0 H ARG A 32 15.985 -4.709 7.870 1.00 0.00 H new ATOM 0 HA ARG A 32 18.816 -4.767 8.712 1.00 0.00 H new ATOM 0 HB2 ARG A 32 16.266 -5.480 10.237 1.00 0.00 H new ATOM 0 HB3 ARG A 32 17.875 -5.338 10.915 1.00 0.00 H new ATOM 0 HG2 ARG A 32 17.861 -2.899 9.955 1.00 0.00 H new ATOM 0 HG3 ARG A 32 16.133 -3.121 9.761 1.00 0.00 H new ATOM 0 HD2 ARG A 32 17.672 -3.463 12.378 1.00 0.00 H new ATOM 0 HD3 ARG A 32 16.689 -2.074 11.958 1.00 0.00 H new ATOM 0 HE ARG A 32 15.002 -4.326 11.659 1.00 0.00 H new ATOM 0 HH11 ARG A 32 16.914 -2.726 14.143 1.00 0.00 H new ATOM 0 HH12 ARG A 32 15.844 -3.217 15.460 1.00 0.00 H new ATOM 0 HH21 ARG A 32 13.638 -4.942 13.364 1.00 0.00 H new ATOM 0 HH22 ARG A 32 14.007 -4.460 15.023 1.00 0.00 H new ATOM 117 N VAL A 33 19.150 -7.201 8.394 1.00 0.00 N ATOM 118 CA VAL A 33 19.376 -8.622 8.160 1.00 0.00 C ATOM 119 C VAL A 33 19.297 -9.397 9.469 1.00 0.00 C ATOM 120 O VAL A 33 19.950 -9.046 10.451 1.00 0.00 O ATOM 121 CB VAL A 33 20.744 -8.831 7.512 1.00 0.00 C ATOM 122 CG1 VAL A 33 21.010 -10.329 7.352 1.00 0.00 C ATOM 123 CG2 VAL A 33 20.767 -8.160 6.133 1.00 0.00 C ATOM 0 H VAL A 33 20.000 -6.640 8.450 1.00 0.00 H new ATOM 0 HA VAL A 33 18.601 -8.993 7.489 1.00 0.00 H new ATOM 0 HB VAL A 33 21.514 -8.389 8.144 1.00 0.00 H new ATOM 0 HG11 VAL A 33 21.986 -10.478 6.890 1.00 0.00 H new ATOM 0 HG12 VAL A 33 20.995 -10.808 8.331 1.00 0.00 H new ATOM 0 HG13 VAL A 33 20.238 -10.770 6.721 1.00 0.00 H new ATOM 0 HG21 VAL A 33 21.743 -8.310 5.672 1.00 0.00 H new ATOM 0 HG22 VAL A 33 19.996 -8.600 5.501 1.00 0.00 H new ATOM 0 HG23 VAL A 33 20.578 -7.092 6.245 1.00 0.00 H new ATOM 133 N HIS A 34 18.498 -10.454 9.472 1.00 0.00 N ATOM 134 CA HIS A 34 18.339 -11.278 10.665 1.00 0.00 C ATOM 135 C HIS A 34 18.922 -12.674 10.447 1.00 0.00 C ATOM 136 O HIS A 34 18.881 -13.521 11.341 1.00 0.00 O ATOM 137 CB HIS A 34 16.858 -11.393 11.028 1.00 0.00 C ATOM 138 CG HIS A 34 16.047 -11.585 9.777 1.00 0.00 C ATOM 139 ND1 HIS A 34 14.899 -10.854 9.519 1.00 0.00 N ATOM 140 CD2 HIS A 34 16.213 -12.415 8.696 1.00 0.00 C ATOM 141 CE1 HIS A 34 14.421 -11.254 8.327 1.00 0.00 C ATOM 142 NE2 HIS A 34 15.185 -12.204 7.781 1.00 0.00 N ATOM 0 H HIS A 34 17.952 -10.762 8.667 1.00 0.00 H new ATOM 0 HA HIS A 34 18.879 -10.799 11.482 1.00 0.00 H new ATOM 0 HB2 HIS A 34 16.703 -12.232 11.706 1.00 0.00 H new ATOM 0 HB3 HIS A 34 16.531 -10.495 11.552 1.00 0.00 H new ATOM 0 HD2 HIS A 34 17.019 -13.124 8.574 1.00 0.00 H new ATOM 0 HE1 HIS A 34 13.528 -10.856 7.867 1.00 0.00 H new ATOM 0 HE2 HIS A 34 15.045 -12.674 6.886 1.00 0.00 H new ATOM 150 N THR A 35 19.458 -12.914 9.251 1.00 0.00 N ATOM 151 CA THR A 35 20.035 -14.210 8.929 1.00 0.00 C ATOM 152 C THR A 35 21.221 -14.048 7.986 1.00 0.00 C ATOM 153 O THR A 35 21.280 -13.105 7.204 1.00 0.00 O ATOM 154 CB THR A 35 18.978 -15.100 8.273 1.00 0.00 C ATOM 155 OG1 THR A 35 19.514 -16.401 8.078 1.00 0.00 O ATOM 156 CG2 THR A 35 18.572 -14.506 6.922 1.00 0.00 C ATOM 0 H THR A 35 19.503 -12.230 8.496 1.00 0.00 H new ATOM 0 HA THR A 35 20.381 -14.674 9.853 1.00 0.00 H new ATOM 0 HB THR A 35 18.101 -15.159 8.918 1.00 0.00 H new ATOM 0 HG1 THR A 35 18.838 -16.974 7.659 1.00 0.00 H new ATOM 0 HG21 THR A 35 17.819 -15.142 6.457 1.00 0.00 H new ATOM 0 HG22 THR A 35 18.161 -13.508 7.072 1.00 0.00 H new ATOM 0 HG23 THR A 35 19.446 -14.445 6.274 1.00 0.00 H new ATOM 164 N ASP A 36 22.164 -14.977 8.064 1.00 0.00 N ATOM 165 CA ASP A 36 23.345 -14.925 7.211 1.00 0.00 C ATOM 166 C ASP A 36 23.085 -15.647 5.893 1.00 0.00 C ATOM 167 O ASP A 36 23.018 -16.876 5.851 1.00 0.00 O ATOM 168 CB ASP A 36 24.533 -15.572 7.924 1.00 0.00 C ATOM 169 CG ASP A 36 25.785 -15.462 7.059 1.00 0.00 C ATOM 170 OD1 ASP A 36 25.703 -14.851 6.007 1.00 0.00 O ATOM 171 OD2 ASP A 36 26.806 -15.995 7.460 1.00 0.00 O ATOM 0 H ASP A 36 22.136 -15.771 8.704 1.00 0.00 H new ATOM 0 HA ASP A 36 23.573 -13.880 7.001 1.00 0.00 H new ATOM 0 HB2 ASP A 36 24.701 -15.084 8.884 1.00 0.00 H new ATOM 0 HB3 ASP A 36 24.316 -16.620 8.132 1.00 0.00 H new ATOM 176 N PHE A 37 22.946 -14.878 4.819 1.00 0.00 N ATOM 177 CA PHE A 37 22.701 -15.453 3.501 1.00 0.00 C ATOM 178 C PHE A 37 23.830 -15.097 2.542 1.00 0.00 C ATOM 179 O PHE A 37 24.083 -13.920 2.274 1.00 0.00 O ATOM 180 CB PHE A 37 21.370 -14.944 2.946 1.00 0.00 C ATOM 181 CG PHE A 37 21.380 -15.052 1.441 1.00 0.00 C ATOM 182 CD1 PHE A 37 21.525 -16.301 0.827 1.00 0.00 C ATOM 183 CD2 PHE A 37 21.240 -13.898 0.654 1.00 0.00 C ATOM 184 CE1 PHE A 37 21.534 -16.398 -0.568 1.00 0.00 C ATOM 185 CE2 PHE A 37 21.248 -13.994 -0.741 1.00 0.00 C ATOM 186 CZ PHE A 37 21.395 -15.246 -1.353 1.00 0.00 C ATOM 0 H PHE A 37 22.998 -13.859 4.834 1.00 0.00 H new ATOM 0 HA PHE A 37 22.657 -16.537 3.601 1.00 0.00 H new ATOM 0 HB2 PHE A 37 20.545 -15.526 3.358 1.00 0.00 H new ATOM 0 HB3 PHE A 37 21.210 -13.908 3.246 1.00 0.00 H new ATOM 0 HD1 PHE A 37 21.630 -17.190 1.431 1.00 0.00 H new ATOM 0 HD2 PHE A 37 21.126 -12.934 1.127 1.00 0.00 H new ATOM 0 HE1 PHE A 37 21.648 -17.362 -1.041 1.00 0.00 H new ATOM 0 HE2 PHE A 37 21.141 -13.105 -1.345 1.00 0.00 H new ATOM 0 HZ PHE A 37 21.401 -15.323 -2.430 1.00 0.00 H new ATOM 196 N THR A 38 24.508 -16.119 2.027 1.00 0.00 N ATOM 197 CA THR A 38 25.605 -15.895 1.104 1.00 0.00 C ATOM 198 C THR A 38 25.402 -16.702 -0.184 1.00 0.00 C ATOM 199 O THR A 38 25.106 -17.899 -0.132 1.00 0.00 O ATOM 200 CB THR A 38 26.932 -16.296 1.747 1.00 0.00 C ATOM 201 OG1 THR A 38 27.997 -16.030 0.841 1.00 0.00 O ATOM 202 CG2 THR A 38 26.909 -17.785 2.086 1.00 0.00 C ATOM 0 H THR A 38 24.316 -17.099 2.233 1.00 0.00 H new ATOM 0 HA THR A 38 25.628 -14.833 0.860 1.00 0.00 H new ATOM 0 HB THR A 38 27.080 -15.721 2.661 1.00 0.00 H new ATOM 0 HG1 THR A 38 28.849 -16.285 1.253 1.00 0.00 H new ATOM 0 HG21 THR A 38 27.856 -18.068 2.544 1.00 0.00 H new ATOM 0 HG22 THR A 38 26.094 -17.987 2.782 1.00 0.00 H new ATOM 0 HG23 THR A 38 26.760 -18.363 1.174 1.00 0.00 H new ATOM 210 N PRO A 39 25.547 -16.076 -1.324 1.00 0.00 N ATOM 211 CA PRO A 39 25.373 -16.747 -2.643 1.00 0.00 C ATOM 212 C PRO A 39 26.532 -17.677 -2.978 1.00 0.00 C ATOM 213 O PRO A 39 27.603 -17.593 -2.375 1.00 0.00 O ATOM 214 CB PRO A 39 25.299 -15.582 -3.627 1.00 0.00 C ATOM 215 CG PRO A 39 26.060 -14.472 -2.985 1.00 0.00 C ATOM 216 CD PRO A 39 25.905 -14.658 -1.481 1.00 0.00 C ATOM 0 HA PRO A 39 24.492 -17.388 -2.665 1.00 0.00 H new ATOM 0 HB2 PRO A 39 25.735 -15.852 -4.589 1.00 0.00 H new ATOM 0 HB3 PRO A 39 24.265 -15.292 -3.815 1.00 0.00 H new ATOM 0 HG2 PRO A 39 27.111 -14.503 -3.274 1.00 0.00 H new ATOM 0 HG3 PRO A 39 25.672 -13.503 -3.299 1.00 0.00 H new ATOM 0 HD2 PRO A 39 26.829 -14.420 -0.954 1.00 0.00 H new ATOM 0 HD3 PRO A 39 25.131 -14.005 -1.077 1.00 0.00 H new ATOM 224 N SER A 40 26.312 -18.559 -3.945 1.00 0.00 N ATOM 225 CA SER A 40 27.344 -19.496 -4.358 1.00 0.00 C ATOM 226 C SER A 40 28.515 -18.757 -4.999 1.00 0.00 C ATOM 227 O SER A 40 28.362 -17.641 -5.495 1.00 0.00 O ATOM 228 CB SER A 40 26.773 -20.507 -5.350 1.00 0.00 C ATOM 229 OG SER A 40 25.938 -21.424 -4.660 1.00 0.00 O ATOM 0 H SER A 40 25.432 -18.644 -4.454 1.00 0.00 H new ATOM 0 HA SER A 40 27.701 -20.022 -3.473 1.00 0.00 H new ATOM 0 HB2 SER A 40 26.204 -19.992 -6.124 1.00 0.00 H new ATOM 0 HB3 SER A 40 27.582 -21.040 -5.850 1.00 0.00 H new ATOM 0 HG SER A 40 25.569 -22.073 -5.295 1.00 0.00 H new ATOM 235 N PRO A 41 29.675 -19.354 -4.990 1.00 0.00 N ATOM 236 CA PRO A 41 30.905 -18.740 -5.574 1.00 0.00 C ATOM 237 C PRO A 41 30.735 -18.393 -7.049 1.00 0.00 C ATOM 238 O PRO A 41 31.318 -17.426 -7.540 1.00 0.00 O ATOM 239 CB PRO A 41 31.975 -19.824 -5.391 1.00 0.00 C ATOM 240 CG PRO A 41 31.227 -21.091 -5.131 1.00 0.00 C ATOM 241 CD PRO A 41 29.950 -20.682 -4.426 1.00 0.00 C ATOM 0 HA PRO A 41 31.157 -17.797 -5.090 1.00 0.00 H new ATOM 0 HB2 PRO A 41 32.598 -19.913 -6.281 1.00 0.00 H new ATOM 0 HB3 PRO A 41 32.638 -19.583 -4.560 1.00 0.00 H new ATOM 0 HG2 PRO A 41 31.009 -21.614 -6.062 1.00 0.00 H new ATOM 0 HG3 PRO A 41 31.814 -21.771 -4.513 1.00 0.00 H new ATOM 0 HD2 PRO A 41 29.138 -21.381 -4.624 1.00 0.00 H new ATOM 0 HD3 PRO A 41 30.080 -20.643 -3.345 1.00 0.00 H new ATOM 249 N TYR A 42 29.928 -19.181 -7.748 1.00 0.00 N ATOM 250 CA TYR A 42 29.680 -18.939 -9.165 1.00 0.00 C ATOM 251 C TYR A 42 28.778 -17.717 -9.352 1.00 0.00 C ATOM 252 O TYR A 42 28.607 -17.228 -10.468 1.00 0.00 O ATOM 253 CB TYR A 42 29.017 -20.164 -9.799 1.00 0.00 C ATOM 254 CG TYR A 42 27.516 -20.010 -9.752 1.00 0.00 C ATOM 255 CD1 TYR A 42 26.831 -19.505 -10.864 1.00 0.00 C ATOM 256 CD2 TYR A 42 26.809 -20.372 -8.602 1.00 0.00 C ATOM 257 CE1 TYR A 42 25.439 -19.360 -10.823 1.00 0.00 C ATOM 258 CE2 TYR A 42 25.417 -20.228 -8.561 1.00 0.00 C ATOM 259 CZ TYR A 42 24.732 -19.722 -9.671 1.00 0.00 C ATOM 260 OH TYR A 42 23.360 -19.579 -9.630 1.00 0.00 O ATOM 0 H TYR A 42 29.437 -19.987 -7.362 1.00 0.00 H new ATOM 0 HA TYR A 42 30.636 -18.751 -9.653 1.00 0.00 H new ATOM 0 HB2 TYR A 42 29.349 -20.276 -10.831 1.00 0.00 H new ATOM 0 HB3 TYR A 42 29.317 -21.068 -9.268 1.00 0.00 H new ATOM 0 HD1 TYR A 42 27.377 -19.227 -11.754 1.00 0.00 H new ATOM 0 HD2 TYR A 42 27.337 -20.763 -7.745 1.00 0.00 H new ATOM 0 HE1 TYR A 42 24.911 -18.969 -11.680 1.00 0.00 H new ATOM 0 HE2 TYR A 42 24.872 -20.508 -7.672 1.00 0.00 H new ATOM 0 HH TYR A 42 23.026 -19.877 -8.758 1.00 0.00 H new ATOM 270 N ASP A 43 28.204 -17.230 -8.254 1.00 0.00 N ATOM 271 CA ASP A 43 27.324 -16.072 -8.311 1.00 0.00 C ATOM 272 C ASP A 43 27.990 -14.868 -7.651 1.00 0.00 C ATOM 273 O ASP A 43 28.223 -14.861 -6.442 1.00 0.00 O ATOM 274 CB ASP A 43 26.004 -16.385 -7.607 1.00 0.00 C ATOM 275 CG ASP A 43 24.987 -15.288 -7.898 1.00 0.00 C ATOM 276 OD1 ASP A 43 25.404 -14.199 -8.261 1.00 0.00 O ATOM 277 OD2 ASP A 43 23.804 -15.555 -7.765 1.00 0.00 O ATOM 0 H ASP A 43 28.333 -17.619 -7.320 1.00 0.00 H new ATOM 0 HA ASP A 43 27.125 -15.835 -9.356 1.00 0.00 H new ATOM 0 HB2 ASP A 43 25.621 -17.347 -7.946 1.00 0.00 H new ATOM 0 HB3 ASP A 43 26.166 -16.467 -6.532 1.00 0.00 H new ATOM 282 N THR A 44 28.289 -13.853 -8.452 1.00 0.00 N ATOM 283 CA THR A 44 28.928 -12.645 -7.936 1.00 0.00 C ATOM 284 C THR A 44 27.931 -11.492 -7.872 1.00 0.00 C ATOM 285 O THR A 44 28.054 -10.596 -7.036 1.00 0.00 O ATOM 286 CB THR A 44 30.107 -12.257 -8.828 1.00 0.00 C ATOM 287 OG1 THR A 44 30.582 -10.972 -8.448 1.00 0.00 O ATOM 288 CG2 THR A 44 29.656 -12.227 -10.289 1.00 0.00 C ATOM 0 H THR A 44 28.102 -13.840 -9.455 1.00 0.00 H new ATOM 0 HA THR A 44 29.288 -12.851 -6.928 1.00 0.00 H new ATOM 0 HB THR A 44 30.907 -12.989 -8.714 1.00 0.00 H new ATOM 0 HG1 THR A 44 31.339 -10.722 -9.018 1.00 0.00 H new ATOM 0 HG21 THR A 44 30.498 -11.950 -10.924 1.00 0.00 H new ATOM 0 HG22 THR A 44 29.292 -13.213 -10.578 1.00 0.00 H new ATOM 0 HG23 THR A 44 28.856 -11.496 -10.408 1.00 0.00 H new ATOM 296 N ASP A 45 26.942 -11.523 -8.759 1.00 0.00 N ATOM 297 CA ASP A 45 25.925 -10.478 -8.797 1.00 0.00 C ATOM 298 C ASP A 45 25.141 -10.447 -7.487 1.00 0.00 C ATOM 299 O ASP A 45 24.755 -9.380 -7.007 1.00 0.00 O ATOM 300 CB ASP A 45 24.970 -10.717 -9.966 1.00 0.00 C ATOM 301 CG ASP A 45 25.678 -10.425 -11.285 1.00 0.00 C ATOM 302 OD1 ASP A 45 26.711 -9.777 -11.249 1.00 0.00 O ATOM 303 OD2 ASP A 45 25.179 -10.859 -12.311 1.00 0.00 O ATOM 0 H ASP A 45 26.823 -12.256 -9.458 1.00 0.00 H new ATOM 0 HA ASP A 45 26.422 -9.517 -8.931 1.00 0.00 H new ATOM 0 HB2 ASP A 45 24.617 -11.748 -9.953 1.00 0.00 H new ATOM 0 HB3 ASP A 45 24.092 -10.079 -9.866 1.00 0.00 H new ATOM 308 N SER A 46 24.903 -11.625 -6.919 1.00 0.00 N ATOM 309 CA SER A 46 24.161 -11.719 -5.669 1.00 0.00 C ATOM 310 C SER A 46 24.916 -11.024 -4.540 1.00 0.00 C ATOM 311 O SER A 46 26.138 -11.128 -4.440 1.00 0.00 O ATOM 312 CB SER A 46 23.940 -13.187 -5.305 1.00 0.00 C ATOM 313 OG SER A 46 23.002 -13.761 -6.204 1.00 0.00 O ATOM 0 H SER A 46 25.210 -12.520 -7.301 1.00 0.00 H new ATOM 0 HA SER A 46 23.198 -11.226 -5.803 1.00 0.00 H new ATOM 0 HB2 SER A 46 24.884 -13.730 -5.351 1.00 0.00 H new ATOM 0 HB3 SER A 46 23.575 -13.268 -4.281 1.00 0.00 H new ATOM 0 HG SER A 46 23.297 -14.662 -6.453 1.00 0.00 H new ATOM 319 N LEU A 47 24.179 -10.310 -3.698 1.00 0.00 N ATOM 320 CA LEU A 47 24.783 -9.598 -2.584 1.00 0.00 C ATOM 321 C LEU A 47 24.794 -10.475 -1.335 1.00 0.00 C ATOM 322 O LEU A 47 23.843 -11.214 -1.079 1.00 0.00 O ATOM 323 CB LEU A 47 24.009 -8.308 -2.300 1.00 0.00 C ATOM 324 CG LEU A 47 24.660 -7.557 -1.135 1.00 0.00 C ATOM 325 CD1 LEU A 47 26.072 -7.115 -1.533 1.00 0.00 C ATOM 326 CD2 LEU A 47 23.817 -6.331 -0.784 1.00 0.00 C ATOM 0 H LEU A 47 23.166 -10.210 -3.767 1.00 0.00 H new ATOM 0 HA LEU A 47 25.810 -9.349 -2.851 1.00 0.00 H new ATOM 0 HB2 LEU A 47 23.996 -7.678 -3.189 1.00 0.00 H new ATOM 0 HB3 LEU A 47 22.972 -8.541 -2.060 1.00 0.00 H new ATOM 0 HG LEU A 47 24.720 -8.215 -0.268 1.00 0.00 H new ATOM 0 HD11 LEU A 47 26.534 -6.581 -0.703 1.00 0.00 H new ATOM 0 HD12 LEU A 47 26.672 -7.991 -1.779 1.00 0.00 H new ATOM 0 HD13 LEU A 47 26.017 -6.458 -2.401 1.00 0.00 H new ATOM 0 HD21 LEU A 47 24.280 -5.796 0.045 1.00 0.00 H new ATOM 0 HD22 LEU A 47 23.754 -5.673 -1.650 1.00 0.00 H new ATOM 0 HD23 LEU A 47 22.815 -6.649 -0.496 1.00 0.00 H new ATOM 338 N LYS A 48 25.857 -10.363 -0.547 1.00 0.00 N ATOM 339 CA LYS A 48 25.969 -11.137 0.684 1.00 0.00 C ATOM 340 C LYS A 48 25.463 -10.323 1.872 1.00 0.00 C ATOM 341 O LYS A 48 25.681 -9.112 1.946 1.00 0.00 O ATOM 342 CB LYS A 48 27.426 -11.536 0.918 1.00 0.00 C ATOM 343 CG LYS A 48 28.275 -10.281 1.132 1.00 0.00 C ATOM 344 CD LYS A 48 29.740 -10.681 1.311 1.00 0.00 C ATOM 345 CE LYS A 48 30.588 -9.428 1.539 1.00 0.00 C ATOM 346 NZ LYS A 48 30.171 -8.774 2.812 1.00 0.00 N ATOM 0 H LYS A 48 26.649 -9.748 -0.736 1.00 0.00 H new ATOM 0 HA LYS A 48 25.359 -12.035 0.586 1.00 0.00 H new ATOM 0 HB2 LYS A 48 27.499 -12.189 1.787 1.00 0.00 H new ATOM 0 HB3 LYS A 48 27.801 -12.099 0.063 1.00 0.00 H new ATOM 0 HG2 LYS A 48 28.172 -9.609 0.280 1.00 0.00 H new ATOM 0 HG3 LYS A 48 27.925 -9.738 2.010 1.00 0.00 H new ATOM 0 HD2 LYS A 48 29.842 -11.360 2.157 1.00 0.00 H new ATOM 0 HD3 LYS A 48 30.092 -11.216 0.429 1.00 0.00 H new ATOM 0 HE2 LYS A 48 31.644 -9.693 1.582 1.00 0.00 H new ATOM 0 HE3 LYS A 48 30.467 -8.737 0.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 31.014 -8.536 3.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 29.640 -7.905 2.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 29.567 -9.424 3.355 1.00 0.00 H new ATOM 360 N ILE A 49 24.782 -10.994 2.797 1.00 0.00 N ATOM 361 CA ILE A 49 24.248 -10.315 3.973 1.00 0.00 C ATOM 362 C ILE A 49 24.594 -11.089 5.242 1.00 0.00 C ATOM 363 O ILE A 49 24.658 -12.320 5.232 1.00 0.00 O ATOM 364 CB ILE A 49 22.727 -10.192 3.843 1.00 0.00 C ATOM 365 CG1 ILE A 49 22.081 -11.577 3.942 1.00 0.00 C ATOM 366 CG2 ILE A 49 22.379 -9.575 2.484 1.00 0.00 C ATOM 367 CD1 ILE A 49 20.559 -11.436 3.931 1.00 0.00 C ATOM 0 H ILE A 49 24.589 -11.995 2.757 1.00 0.00 H new ATOM 0 HA ILE A 49 24.694 -9.322 4.039 1.00 0.00 H new ATOM 0 HB ILE A 49 22.352 -9.558 4.646 1.00 0.00 H new ATOM 0 HG12 ILE A 49 22.404 -12.200 3.108 1.00 0.00 H new ATOM 0 HG13 ILE A 49 22.403 -12.075 4.856 1.00 0.00 H new ATOM 0 HG21 ILE A 49 21.297 -9.487 2.391 1.00 0.00 H new ATOM 0 HG22 ILE A 49 22.831 -8.586 2.407 1.00 0.00 H new ATOM 0 HG23 ILE A 49 22.761 -10.212 1.687 1.00 0.00 H new ATOM 0 HD11 ILE A 49 20.102 -12.423 4.002 1.00 0.00 H new ATOM 0 HD12 ILE A 49 20.244 -10.828 4.779 1.00 0.00 H new ATOM 0 HD13 ILE A 49 20.245 -10.956 3.004 1.00 0.00 H new ATOM 379 N LYS A 50 24.793 -10.365 6.336 1.00 0.00 N ATOM 380 CA LYS A 50 25.117 -10.997 7.610 1.00 0.00 C ATOM 381 C LYS A 50 24.182 -10.503 8.708 1.00 0.00 C ATOM 382 O LYS A 50 23.863 -9.318 8.780 1.00 0.00 O ATOM 383 CB LYS A 50 26.563 -10.686 7.989 1.00 0.00 C ATOM 384 CG LYS A 50 26.957 -11.510 9.217 1.00 0.00 C ATOM 385 CD LYS A 50 28.380 -11.143 9.644 1.00 0.00 C ATOM 386 CE LYS A 50 29.378 -11.678 8.615 1.00 0.00 C ATOM 387 NZ LYS A 50 30.766 -11.401 9.080 1.00 0.00 N ATOM 0 H LYS A 50 24.737 -9.347 6.368 1.00 0.00 H new ATOM 0 HA LYS A 50 24.992 -12.075 7.503 1.00 0.00 H new ATOM 0 HB2 LYS A 50 27.226 -10.916 7.155 1.00 0.00 H new ATOM 0 HB3 LYS A 50 26.674 -9.622 8.200 1.00 0.00 H new ATOM 0 HG2 LYS A 50 26.261 -11.320 10.034 1.00 0.00 H new ATOM 0 HG3 LYS A 50 26.898 -12.574 8.988 1.00 0.00 H new ATOM 0 HD2 LYS A 50 28.477 -10.061 9.731 1.00 0.00 H new ATOM 0 HD3 LYS A 50 28.595 -11.562 10.627 1.00 0.00 H new ATOM 0 HE2 LYS A 50 29.236 -12.750 8.478 1.00 0.00 H new ATOM 0 HE3 LYS A 50 29.206 -11.207 7.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 31.445 -11.764 8.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 30.897 -10.375 9.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 30.926 -11.870 9.994 1.00 0.00 H new ATOM 401 N LYS A 51 23.737 -11.421 9.560 1.00 0.00 N ATOM 402 CA LYS A 51 22.832 -11.062 10.645 1.00 0.00 C ATOM 403 C LYS A 51 23.435 -9.962 11.512 1.00 0.00 C ATOM 404 O LYS A 51 24.550 -10.093 12.013 1.00 0.00 O ATOM 405 CB LYS A 51 22.551 -12.292 11.513 1.00 0.00 C ATOM 406 CG LYS A 51 21.561 -11.924 12.618 1.00 0.00 C ATOM 407 CD LYS A 51 21.263 -13.157 13.473 1.00 0.00 C ATOM 408 CE LYS A 51 20.256 -12.791 14.567 1.00 0.00 C ATOM 409 NZ LYS A 51 19.941 -14.001 15.377 1.00 0.00 N ATOM 0 H LYS A 51 23.985 -12.410 9.521 1.00 0.00 H new ATOM 0 HA LYS A 51 21.903 -10.696 10.209 1.00 0.00 H new ATOM 0 HB2 LYS A 51 22.145 -13.097 10.900 1.00 0.00 H new ATOM 0 HB3 LYS A 51 23.479 -12.661 11.950 1.00 0.00 H new ATOM 0 HG2 LYS A 51 21.974 -11.129 13.240 1.00 0.00 H new ATOM 0 HG3 LYS A 51 20.639 -11.541 12.181 1.00 0.00 H new ATOM 0 HD2 LYS A 51 20.863 -13.957 12.849 1.00 0.00 H new ATOM 0 HD3 LYS A 51 22.183 -13.532 13.922 1.00 0.00 H new ATOM 0 HE2 LYS A 51 20.666 -12.009 15.206 1.00 0.00 H new ATOM 0 HE3 LYS A 51 19.345 -12.393 14.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 19.257 -13.753 16.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 19.533 -14.734 14.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 20.812 -14.362 15.815 1.00 0.00 H new ATOM 423 N GLY A 52 22.686 -8.878 11.680 1.00 0.00 N ATOM 424 CA GLY A 52 23.148 -7.754 12.489 1.00 0.00 C ATOM 425 C GLY A 52 23.568 -6.578 11.614 1.00 0.00 C ATOM 426 O GLY A 52 23.596 -5.435 12.070 1.00 0.00 O ATOM 0 H GLY A 52 21.761 -8.753 11.269 1.00 0.00 H new ATOM 0 HA2 GLY A 52 22.354 -7.440 13.167 1.00 0.00 H new ATOM 0 HA3 GLY A 52 23.989 -8.069 13.107 1.00 0.00 H new ATOM 430 N ASP A 53 23.879 -6.860 10.353 1.00 0.00 N ATOM 431 CA ASP A 53 24.279 -5.815 9.422 1.00 0.00 C ATOM 432 C ASP A 53 23.057 -5.099 8.853 1.00 0.00 C ATOM 433 O ASP A 53 21.962 -5.663 8.805 1.00 0.00 O ATOM 434 CB ASP A 53 25.098 -6.415 8.279 1.00 0.00 C ATOM 435 CG ASP A 53 26.505 -6.746 8.763 1.00 0.00 C ATOM 436 OD1 ASP A 53 26.845 -6.336 9.860 1.00 0.00 O ATOM 437 OD2 ASP A 53 27.226 -7.397 8.025 1.00 0.00 O ATOM 0 H ASP A 53 23.862 -7.799 9.955 1.00 0.00 H new ATOM 0 HA ASP A 53 24.888 -5.092 9.964 1.00 0.00 H new ATOM 0 HB2 ASP A 53 24.611 -7.316 7.906 1.00 0.00 H new ATOM 0 HB3 ASP A 53 25.147 -5.712 7.447 1.00 0.00 H new ATOM 442 N ILE A 54 23.252 -3.857 8.425 1.00 0.00 N ATOM 443 CA ILE A 54 22.161 -3.072 7.857 1.00 0.00 C ATOM 444 C ILE A 54 22.405 -2.803 6.379 1.00 0.00 C ATOM 445 O ILE A 54 23.483 -2.365 5.988 1.00 0.00 O ATOM 446 CB ILE A 54 22.024 -1.742 8.605 1.00 0.00 C ATOM 447 CG1 ILE A 54 21.807 -2.015 10.099 1.00 0.00 C ATOM 448 CG2 ILE A 54 20.836 -0.957 8.048 1.00 0.00 C ATOM 449 CD1 ILE A 54 20.588 -2.927 10.293 1.00 0.00 C ATOM 0 H ILE A 54 24.150 -3.374 8.460 1.00 0.00 H new ATOM 0 HA ILE A 54 21.239 -3.643 7.962 1.00 0.00 H new ATOM 0 HB ILE A 54 22.934 -1.157 8.472 1.00 0.00 H new ATOM 0 HG12 ILE A 54 22.694 -2.484 10.524 1.00 0.00 H new ATOM 0 HG13 ILE A 54 21.657 -1.076 10.631 1.00 0.00 H new ATOM 0 HG21 ILE A 54 20.742 -0.012 8.582 1.00 0.00 H new ATOM 0 HG22 ILE A 54 20.995 -0.760 6.988 1.00 0.00 H new ATOM 0 HG23 ILE A 54 19.923 -1.539 8.176 1.00 0.00 H new ATOM 0 HD11 ILE A 54 20.441 -3.116 11.356 1.00 0.00 H new ATOM 0 HD12 ILE A 54 19.702 -2.442 9.885 1.00 0.00 H new ATOM 0 HD13 ILE A 54 20.755 -3.872 9.776 1.00 0.00 H new ATOM 461 N ILE A 55 21.393 -3.080 5.562 1.00 0.00 N ATOM 462 CA ILE A 55 21.511 -2.876 4.122 1.00 0.00 C ATOM 463 C ILE A 55 20.592 -1.745 3.665 1.00 0.00 C ATOM 464 O ILE A 55 19.402 -1.737 3.972 1.00 0.00 O ATOM 465 CB ILE A 55 21.141 -4.161 3.382 1.00 0.00 C ATOM 466 CG1 ILE A 55 22.080 -5.283 3.820 1.00 0.00 C ATOM 467 CG2 ILE A 55 21.285 -3.941 1.874 1.00 0.00 C ATOM 468 CD1 ILE A 55 21.573 -6.619 3.279 1.00 0.00 C ATOM 0 H ILE A 55 20.490 -3.443 5.868 1.00 0.00 H new ATOM 0 HA ILE A 55 22.543 -2.608 3.895 1.00 0.00 H new ATOM 0 HB ILE A 55 20.111 -4.432 3.614 1.00 0.00 H new ATOM 0 HG12 ILE A 55 23.088 -5.090 3.454 1.00 0.00 H new ATOM 0 HG13 ILE A 55 22.138 -5.318 4.908 1.00 0.00 H new ATOM 0 HG21 ILE A 55 21.021 -4.857 1.346 1.00 0.00 H new ATOM 0 HG22 ILE A 55 20.621 -3.136 1.559 1.00 0.00 H new ATOM 0 HG23 ILE A 55 22.316 -3.673 1.642 1.00 0.00 H new ATOM 0 HD11 ILE A 55 22.245 -7.417 3.593 1.00 0.00 H new ATOM 0 HD12 ILE A 55 20.573 -6.813 3.667 1.00 0.00 H new ATOM 0 HD13 ILE A 55 21.539 -6.581 2.190 1.00 0.00 H new ATOM 480 N ASP A 56 21.154 -0.797 2.925 1.00 0.00 N ATOM 481 CA ASP A 56 20.377 0.330 2.422 1.00 0.00 C ATOM 482 C ASP A 56 19.631 -0.067 1.153 1.00 0.00 C ATOM 483 O ASP A 56 20.248 -0.483 0.165 1.00 0.00 O ATOM 484 CB ASP A 56 21.298 1.513 2.129 1.00 0.00 C ATOM 485 CG ASP A 56 20.481 2.704 1.636 1.00 0.00 C ATOM 486 OD1 ASP A 56 19.268 2.589 1.577 1.00 0.00 O ATOM 487 OD2 ASP A 56 21.083 3.716 1.317 1.00 0.00 O ATOM 0 H ASP A 56 22.139 -0.785 2.661 1.00 0.00 H new ATOM 0 HA ASP A 56 19.653 0.620 3.183 1.00 0.00 H new ATOM 0 HB2 ASP A 56 21.848 1.787 3.029 1.00 0.00 H new ATOM 0 HB3 ASP A 56 22.036 1.232 1.377 1.00 0.00 H new ATOM 492 N ILE A 57 18.303 0.064 1.190 1.00 0.00 N ATOM 493 CA ILE A 57 17.478 -0.284 0.041 1.00 0.00 C ATOM 494 C ILE A 57 17.685 0.723 -1.088 1.00 0.00 C ATOM 495 O ILE A 57 17.587 1.932 -0.884 1.00 0.00 O ATOM 496 CB ILE A 57 16.001 -0.298 0.444 1.00 0.00 C ATOM 497 CG1 ILE A 57 15.789 -1.329 1.558 1.00 0.00 C ATOM 498 CG2 ILE A 57 15.144 -0.678 -0.765 1.00 0.00 C ATOM 499 CD1 ILE A 57 14.382 -1.172 2.137 1.00 0.00 C ATOM 0 H ILE A 57 17.783 0.406 1.998 1.00 0.00 H new ATOM 0 HA ILE A 57 17.771 -1.275 -0.307 1.00 0.00 H new ATOM 0 HB ILE A 57 15.712 0.691 0.798 1.00 0.00 H new ATOM 0 HG12 ILE A 57 15.922 -2.337 1.165 1.00 0.00 H new ATOM 0 HG13 ILE A 57 16.534 -1.192 2.342 1.00 0.00 H new ATOM 0 HG21 ILE A 57 14.093 -0.688 -0.477 1.00 0.00 H new ATOM 0 HG22 ILE A 57 15.295 0.050 -1.562 1.00 0.00 H new ATOM 0 HG23 ILE A 57 15.432 -1.668 -1.119 1.00 0.00 H new ATOM 0 HD11 ILE A 57 14.231 -1.905 2.929 1.00 0.00 H new ATOM 0 HD12 ILE A 57 14.266 -0.168 2.545 1.00 0.00 H new ATOM 0 HD13 ILE A 57 13.645 -1.331 1.350 1.00 0.00 H new ATOM 511 N ILE A 58 17.967 0.211 -2.280 1.00 0.00 N ATOM 512 CA ILE A 58 18.182 1.066 -3.438 1.00 0.00 C ATOM 513 C ILE A 58 16.986 1.008 -4.380 1.00 0.00 C ATOM 514 O ILE A 58 16.425 2.041 -4.753 1.00 0.00 O ATOM 515 CB ILE A 58 19.443 0.626 -4.188 1.00 0.00 C ATOM 516 CG1 ILE A 58 20.677 0.935 -3.335 1.00 0.00 C ATOM 517 CG2 ILE A 58 19.541 1.381 -5.515 1.00 0.00 C ATOM 518 CD1 ILE A 58 21.906 0.266 -3.951 1.00 0.00 C ATOM 0 H ILE A 58 18.052 -0.788 -2.468 1.00 0.00 H new ATOM 0 HA ILE A 58 18.305 2.091 -3.087 1.00 0.00 H new ATOM 0 HB ILE A 58 19.392 -0.445 -4.383 1.00 0.00 H new ATOM 0 HG12 ILE A 58 20.829 2.013 -3.274 1.00 0.00 H new ATOM 0 HG13 ILE A 58 20.527 0.576 -2.317 1.00 0.00 H new ATOM 0 HG21 ILE A 58 20.439 1.067 -6.047 1.00 0.00 H new ATOM 0 HG22 ILE A 58 18.663 1.163 -6.123 1.00 0.00 H new ATOM 0 HG23 ILE A 58 19.591 2.452 -5.321 1.00 0.00 H new ATOM 0 HD11 ILE A 58 22.783 0.487 -3.343 1.00 0.00 H new ATOM 0 HD12 ILE A 58 21.753 -0.812 -3.989 1.00 0.00 H new ATOM 0 HD13 ILE A 58 22.059 0.646 -4.961 1.00 0.00 H new ATOM 530 N CYS A 59 16.606 -0.205 -4.772 1.00 0.00 N ATOM 531 CA CYS A 59 15.481 -0.382 -5.684 1.00 0.00 C ATOM 532 C CYS A 59 14.994 -1.829 -5.669 1.00 0.00 C ATOM 533 O CYS A 59 15.769 -2.752 -5.428 1.00 0.00 O ATOM 534 CB CYS A 59 15.893 0.001 -7.107 1.00 0.00 C ATOM 535 SG CYS A 59 14.446 -0.061 -8.193 1.00 0.00 S ATOM 0 H CYS A 59 17.055 -1.071 -4.476 1.00 0.00 H new ATOM 0 HA CYS A 59 14.670 0.266 -5.352 1.00 0.00 H new ATOM 0 HB2 CYS A 59 16.324 1.002 -7.115 1.00 0.00 H new ATOM 0 HB3 CYS A 59 16.663 -0.680 -7.470 1.00 0.00 H new ATOM 0 HG CYS A 59 14.796 0.266 -9.401 1.00 0.00 H new ATOM 541 N LYS A 60 13.706 -2.020 -5.929 1.00 0.00 N ATOM 542 CA LYS A 60 13.135 -3.361 -5.945 1.00 0.00 C ATOM 543 C LYS A 60 12.786 -3.769 -7.372 1.00 0.00 C ATOM 544 O LYS A 60 12.548 -2.915 -8.232 1.00 0.00 O ATOM 545 CB LYS A 60 11.880 -3.408 -5.076 1.00 0.00 C ATOM 546 CG LYS A 60 12.239 -3.007 -3.645 1.00 0.00 C ATOM 547 CD LYS A 60 10.994 -3.100 -2.760 1.00 0.00 C ATOM 548 CE LYS A 60 11.354 -2.695 -1.329 1.00 0.00 C ATOM 549 NZ LYS A 60 11.764 -1.263 -1.306 1.00 0.00 N ATOM 0 H LYS A 60 13.043 -1.271 -6.130 1.00 0.00 H new ATOM 0 HA LYS A 60 13.873 -4.057 -5.546 1.00 0.00 H new ATOM 0 HB2 LYS A 60 11.122 -2.734 -5.475 1.00 0.00 H new ATOM 0 HB3 LYS A 60 11.453 -4.411 -5.088 1.00 0.00 H new ATOM 0 HG2 LYS A 60 13.022 -3.660 -3.259 1.00 0.00 H new ATOM 0 HG3 LYS A 60 12.634 -1.991 -3.629 1.00 0.00 H new ATOM 0 HD2 LYS A 60 10.210 -2.449 -3.147 1.00 0.00 H new ATOM 0 HD3 LYS A 60 10.600 -4.116 -2.774 1.00 0.00 H new ATOM 0 HE2 LYS A 60 10.500 -2.850 -0.670 1.00 0.00 H new ATOM 0 HE3 LYS A 60 12.163 -3.322 -0.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 11.878 -0.950 -0.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 12.666 -1.152 -1.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 11.034 -0.685 -1.770 1.00 0.00 H new ATOM 563 N THR A 61 12.746 -5.074 -7.615 1.00 0.00 N ATOM 564 CA THR A 61 12.417 -5.572 -8.936 1.00 0.00 C ATOM 565 C THR A 61 11.435 -6.742 -8.848 1.00 0.00 C ATOM 566 O THR A 61 11.387 -7.448 -7.840 1.00 0.00 O ATOM 567 CB THR A 61 13.683 -6.027 -9.666 1.00 0.00 C ATOM 568 OG1 THR A 61 14.300 -7.069 -8.925 1.00 0.00 O ATOM 569 CG2 THR A 61 14.644 -4.846 -9.794 1.00 0.00 C ATOM 0 H THR A 61 12.936 -5.796 -6.920 1.00 0.00 H new ATOM 0 HA THR A 61 11.951 -4.759 -9.493 1.00 0.00 H new ATOM 0 HB THR A 61 13.426 -6.392 -10.660 1.00 0.00 H new ATOM 0 HG1 THR A 61 15.111 -7.365 -9.389 1.00 0.00 H new ATOM 0 HG21 THR A 61 15.547 -5.166 -10.314 1.00 0.00 H new ATOM 0 HG22 THR A 61 14.165 -4.046 -10.359 1.00 0.00 H new ATOM 0 HG23 THR A 61 14.907 -4.481 -8.801 1.00 0.00 H new ATOM 577 N PRO A 62 10.674 -6.972 -9.887 1.00 0.00 N ATOM 578 CA PRO A 62 9.687 -8.093 -9.937 1.00 0.00 C ATOM 579 C PRO A 62 10.364 -9.459 -9.831 1.00 0.00 C ATOM 580 O PRO A 62 9.729 -10.452 -9.477 1.00 0.00 O ATOM 581 CB PRO A 62 9.011 -7.927 -11.302 1.00 0.00 C ATOM 582 CG PRO A 62 9.305 -6.528 -11.726 1.00 0.00 C ATOM 583 CD PRO A 62 10.656 -6.188 -11.129 1.00 0.00 C ATOM 0 HA PRO A 62 8.986 -8.056 -9.103 1.00 0.00 H new ATOM 0 HB2 PRO A 62 9.401 -8.646 -12.023 1.00 0.00 H new ATOM 0 HB3 PRO A 62 7.937 -8.098 -11.231 1.00 0.00 H new ATOM 0 HG2 PRO A 62 9.326 -6.446 -12.813 1.00 0.00 H new ATOM 0 HG3 PRO A 62 8.537 -5.842 -11.369 1.00 0.00 H new ATOM 0 HD2 PRO A 62 11.473 -6.467 -11.794 1.00 0.00 H new ATOM 0 HD3 PRO A 62 10.754 -5.120 -10.934 1.00 0.00 H new ATOM 591 N MET A 63 11.653 -9.499 -10.149 1.00 0.00 N ATOM 592 CA MET A 63 12.405 -10.748 -10.096 1.00 0.00 C ATOM 593 C MET A 63 12.230 -11.417 -8.737 1.00 0.00 C ATOM 594 O MET A 63 12.258 -12.643 -8.632 1.00 0.00 O ATOM 595 CB MET A 63 13.891 -10.476 -10.346 1.00 0.00 C ATOM 596 CG MET A 63 14.659 -11.800 -10.374 1.00 0.00 C ATOM 597 SD MET A 63 14.117 -12.786 -11.791 1.00 0.00 S ATOM 598 CE MET A 63 15.011 -11.861 -13.064 1.00 0.00 C ATOM 0 H MET A 63 12.196 -8.688 -10.444 1.00 0.00 H new ATOM 0 HA MET A 63 12.024 -11.414 -10.870 1.00 0.00 H new ATOM 0 HB2 MET A 63 14.020 -9.949 -11.291 1.00 0.00 H new ATOM 0 HB3 MET A 63 14.289 -9.830 -9.564 1.00 0.00 H new ATOM 0 HG2 MET A 63 15.730 -11.609 -10.439 1.00 0.00 H new ATOM 0 HG3 MET A 63 14.489 -12.350 -9.449 1.00 0.00 H new ATOM 0 HE1 MET A 63 14.300 -11.439 -13.774 1.00 0.00 H new ATOM 0 HE2 MET A 63 15.579 -11.056 -12.598 1.00 0.00 H new ATOM 0 HE3 MET A 63 15.694 -12.530 -13.588 1.00 0.00 H new ATOM 608 N GLY A 64 12.059 -10.606 -7.701 1.00 0.00 N ATOM 609 CA GLY A 64 11.892 -11.136 -6.354 1.00 0.00 C ATOM 610 C GLY A 64 13.147 -10.904 -5.516 1.00 0.00 C ATOM 611 O GLY A 64 13.349 -11.549 -4.489 1.00 0.00 O ATOM 0 H GLY A 64 12.032 -9.588 -7.766 1.00 0.00 H new ATOM 0 HA2 GLY A 64 11.037 -10.659 -5.875 1.00 0.00 H new ATOM 0 HA3 GLY A 64 11.675 -12.203 -6.403 1.00 0.00 H new ATOM 615 N MET A 65 13.990 -9.982 -5.962 1.00 0.00 N ATOM 616 CA MET A 65 15.216 -9.667 -5.241 1.00 0.00 C ATOM 617 C MET A 65 15.325 -8.164 -5.005 1.00 0.00 C ATOM 618 O MET A 65 15.010 -7.364 -5.885 1.00 0.00 O ATOM 619 CB MET A 65 16.428 -10.155 -6.026 1.00 0.00 C ATOM 620 CG MET A 65 16.904 -11.493 -5.458 1.00 0.00 C ATOM 621 SD MET A 65 18.424 -12.001 -6.303 1.00 0.00 S ATOM 622 CE MET A 65 18.980 -13.200 -5.065 1.00 0.00 C ATOM 0 H MET A 65 13.848 -9.442 -6.815 1.00 0.00 H new ATOM 0 HA MET A 65 15.188 -10.173 -4.276 1.00 0.00 H new ATOM 0 HB2 MET A 65 16.171 -10.267 -7.079 1.00 0.00 H new ATOM 0 HB3 MET A 65 17.230 -9.419 -5.970 1.00 0.00 H new ATOM 0 HG2 MET A 65 17.084 -11.402 -4.387 1.00 0.00 H new ATOM 0 HG3 MET A 65 16.132 -12.251 -5.589 1.00 0.00 H new ATOM 0 HE1 MET A 65 19.992 -13.527 -5.304 1.00 0.00 H new ATOM 0 HE2 MET A 65 18.972 -12.735 -4.079 1.00 0.00 H new ATOM 0 HE3 MET A 65 18.311 -14.060 -5.066 1.00 0.00 H new ATOM 632 N TRP A 66 15.781 -7.788 -3.817 1.00 0.00 N ATOM 633 CA TRP A 66 15.939 -6.377 -3.479 1.00 0.00 C ATOM 634 C TRP A 66 17.358 -5.904 -3.780 1.00 0.00 C ATOM 635 O TRP A 66 18.329 -6.616 -3.521 1.00 0.00 O ATOM 636 CB TRP A 66 15.629 -6.154 -1.996 1.00 0.00 C ATOM 637 CG TRP A 66 14.150 -6.211 -1.781 1.00 0.00 C ATOM 638 CD1 TRP A 66 13.255 -6.725 -2.655 1.00 0.00 C ATOM 639 CD2 TRP A 66 13.379 -5.736 -0.638 1.00 0.00 C ATOM 640 NE1 TRP A 66 11.985 -6.601 -2.121 1.00 0.00 N ATOM 641 CE2 TRP A 66 12.009 -5.999 -0.877 1.00 0.00 C ATOM 642 CE3 TRP A 66 13.734 -5.113 0.573 1.00 0.00 C ATOM 643 CZ2 TRP A 66 11.026 -5.652 0.053 1.00 0.00 C ATOM 644 CZ3 TRP A 66 12.745 -4.764 1.508 1.00 0.00 C ATOM 645 CH2 TRP A 66 11.395 -5.034 1.247 1.00 0.00 C ATOM 0 H TRP A 66 16.047 -8.435 -3.075 1.00 0.00 H new ATOM 0 HA TRP A 66 15.241 -5.801 -4.087 1.00 0.00 H new ATOM 0 HB2 TRP A 66 16.124 -6.914 -1.392 1.00 0.00 H new ATOM 0 HB3 TRP A 66 16.017 -5.188 -1.674 1.00 0.00 H new ATOM 0 HD1 TRP A 66 13.493 -7.161 -3.614 1.00 0.00 H new ATOM 0 HE1 TRP A 66 11.135 -6.915 -2.588 1.00 0.00 H new ATOM 0 HE3 TRP A 66 14.772 -4.902 0.785 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 9.986 -5.861 -0.152 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 13.027 -4.285 2.434 1.00 0.00 H new ATOM 0 HH2 TRP A 66 10.640 -4.763 1.971 1.00 0.00 H new ATOM 656 N THR A 67 17.471 -4.696 -4.321 1.00 0.00 N ATOM 657 CA THR A 67 18.777 -4.133 -4.647 1.00 0.00 C ATOM 658 C THR A 67 19.224 -3.189 -3.542 1.00 0.00 C ATOM 659 O THR A 67 18.463 -2.320 -3.118 1.00 0.00 O ATOM 660 CB THR A 67 18.712 -3.381 -5.976 1.00 0.00 C ATOM 661 OG1 THR A 67 18.315 -4.277 -7.004 1.00 0.00 O ATOM 662 CG2 THR A 67 20.089 -2.803 -6.305 1.00 0.00 C ATOM 0 H THR A 67 16.680 -4.091 -4.542 1.00 0.00 H new ATOM 0 HA THR A 67 19.497 -4.946 -4.737 1.00 0.00 H new ATOM 0 HB THR A 67 17.989 -2.569 -5.900 1.00 0.00 H new ATOM 0 HG1 THR A 67 18.980 -4.992 -7.090 1.00 0.00 H new ATOM 0 HG21 THR A 67 20.042 -2.267 -7.253 1.00 0.00 H new ATOM 0 HG22 THR A 67 20.394 -2.117 -5.515 1.00 0.00 H new ATOM 0 HG23 THR A 67 20.815 -3.613 -6.382 1.00 0.00 H new ATOM 670 N GLY A 68 20.463 -3.362 -3.084 1.00 0.00 N ATOM 671 CA GLY A 68 20.999 -2.518 -2.019 1.00 0.00 C ATOM 672 C GLY A 68 22.519 -2.451 -2.089 1.00 0.00 C ATOM 673 O GLY A 68 23.137 -3.002 -3.005 1.00 0.00 O ATOM 0 H GLY A 68 21.109 -4.072 -3.430 1.00 0.00 H new ATOM 0 HA2 GLY A 68 20.583 -1.514 -2.102 1.00 0.00 H new ATOM 0 HA3 GLY A 68 20.693 -2.911 -1.050 1.00 0.00 H new ATOM 677 N MET A 69 23.116 -1.765 -1.119 1.00 0.00 N ATOM 678 CA MET A 69 24.571 -1.627 -1.085 1.00 0.00 C ATOM 679 C MET A 69 25.130 -2.138 0.241 1.00 0.00 C ATOM 680 O MET A 69 24.492 -2.014 1.284 1.00 0.00 O ATOM 681 CB MET A 69 24.961 -0.157 -1.269 1.00 0.00 C ATOM 682 CG MET A 69 24.395 0.669 -0.111 1.00 0.00 C ATOM 683 SD MET A 69 24.882 2.402 -0.305 1.00 0.00 S ATOM 684 CE MET A 69 23.652 2.850 -1.553 1.00 0.00 C ATOM 0 H MET A 69 22.624 -1.301 -0.355 1.00 0.00 H new ATOM 0 HA MET A 69 24.991 -2.221 -1.897 1.00 0.00 H new ATOM 0 HB2 MET A 69 26.046 -0.059 -1.304 1.00 0.00 H new ATOM 0 HB3 MET A 69 24.577 0.216 -2.218 1.00 0.00 H new ATOM 0 HG2 MET A 69 23.308 0.587 -0.089 1.00 0.00 H new ATOM 0 HG3 MET A 69 24.763 0.282 0.839 1.00 0.00 H new ATOM 0 HE1 MET A 69 23.591 3.936 -1.630 1.00 0.00 H new ATOM 0 HE2 MET A 69 23.943 2.433 -2.517 1.00 0.00 H new ATOM 0 HE3 MET A 69 22.679 2.452 -1.265 1.00 0.00 H new ATOM 694 N LEU A 70 26.328 -2.711 0.190 1.00 0.00 N ATOM 695 CA LEU A 70 26.968 -3.235 1.388 1.00 0.00 C ATOM 696 C LEU A 70 28.487 -3.147 1.265 1.00 0.00 C ATOM 697 O LEU A 70 29.082 -3.753 0.380 1.00 0.00 O ATOM 698 CB LEU A 70 26.548 -4.689 1.613 1.00 0.00 C ATOM 699 CG LEU A 70 25.943 -4.835 3.009 1.00 0.00 C ATOM 700 CD1 LEU A 70 25.357 -6.241 3.166 1.00 0.00 C ATOM 701 CD2 LEU A 70 27.030 -4.621 4.063 1.00 0.00 C ATOM 0 H LEU A 70 26.872 -2.823 -0.665 1.00 0.00 H new ATOM 0 HA LEU A 70 26.651 -2.634 2.241 1.00 0.00 H new ATOM 0 HB2 LEU A 70 25.822 -4.990 0.857 1.00 0.00 H new ATOM 0 HB3 LEU A 70 27.410 -5.348 1.508 1.00 0.00 H new ATOM 0 HG LEU A 70 25.156 -4.093 3.141 1.00 0.00 H new ATOM 0 HD11 LEU A 70 24.925 -6.346 4.161 1.00 0.00 H new ATOM 0 HD12 LEU A 70 24.582 -6.398 2.416 1.00 0.00 H new ATOM 0 HD13 LEU A 70 26.146 -6.981 3.033 1.00 0.00 H new ATOM 0 HD21 LEU A 70 26.598 -4.725 5.058 1.00 0.00 H new ATOM 0 HD22 LEU A 70 27.817 -5.363 3.930 1.00 0.00 H new ATOM 0 HD23 LEU A 70 27.451 -3.622 3.953 1.00 0.00 H new ATOM 713 N ASN A 71 29.108 -2.396 2.163 1.00 0.00 N ATOM 714 CA ASN A 71 30.560 -2.239 2.147 1.00 0.00 C ATOM 715 C ASN A 71 31.018 -1.775 0.767 1.00 0.00 C ATOM 716 O ASN A 71 31.936 -2.352 0.182 1.00 0.00 O ATOM 717 CB ASN A 71 31.236 -3.570 2.484 1.00 0.00 C ATOM 718 CG ASN A 71 30.627 -4.154 3.750 1.00 0.00 C ATOM 719 OD1 ASN A 71 30.167 -5.375 3.729 1.00 0.00 O flip ATOM 720 ND2 ASN A 71 30.559 -3.482 4.779 1.00 0.00 N flip ATOM 0 H ASN A 71 28.634 -1.887 2.909 1.00 0.00 H new ATOM 0 HA ASN A 71 30.839 -1.494 2.892 1.00 0.00 H new ATOM 0 HB2 ASN A 71 31.116 -4.269 1.656 1.00 0.00 H new ATOM 0 HB3 ASN A 71 32.307 -3.420 2.621 1.00 0.00 H new ATOM 0 HD21 ASN A 71 30.920 -2.528 4.790 1.00 0.00 H new ATOM 0 HD22 ASN A 71 30.142 -3.879 5.621 1.00 0.00 H new ATOM 727 N ASN A 72 30.374 -0.733 0.250 1.00 0.00 N ATOM 728 CA ASN A 72 30.719 -0.206 -1.063 1.00 0.00 C ATOM 729 C ASN A 72 30.542 -1.277 -2.134 1.00 0.00 C ATOM 730 O ASN A 72 31.299 -1.332 -3.103 1.00 0.00 O ATOM 731 CB ASN A 72 32.168 0.288 -1.067 1.00 0.00 C ATOM 732 CG ASN A 72 32.376 1.283 -2.205 1.00 0.00 C ATOM 733 OD1 ASN A 72 31.462 2.031 -2.552 1.00 0.00 O ATOM 734 ND2 ASN A 72 33.533 1.343 -2.805 1.00 0.00 N ATOM 0 H ASN A 72 29.614 -0.240 0.719 1.00 0.00 H new ATOM 0 HA ASN A 72 30.052 0.627 -1.284 1.00 0.00 H new ATOM 0 HB2 ASN A 72 32.403 0.760 -0.113 1.00 0.00 H new ATOM 0 HB3 ASN A 72 32.848 -0.556 -1.182 1.00 0.00 H new ATOM 0 HD21 ASN A 72 33.681 2.010 -3.562 1.00 0.00 H new ATOM 0 HD22 ASN A 72 34.290 0.723 -2.517 1.00 0.00 H new ATOM 741 N LYS A 73 29.526 -2.118 -1.958 1.00 0.00 N ATOM 742 CA LYS A 73 29.247 -3.175 -2.924 1.00 0.00 C ATOM 743 C LYS A 73 27.744 -3.299 -3.160 1.00 0.00 C ATOM 744 O LYS A 73 26.989 -3.611 -2.244 1.00 0.00 O ATOM 745 CB LYS A 73 29.801 -4.507 -2.413 1.00 0.00 C ATOM 746 CG LYS A 73 29.716 -5.552 -3.526 1.00 0.00 C ATOM 747 CD LYS A 73 30.260 -6.889 -3.016 1.00 0.00 C ATOM 748 CE LYS A 73 31.784 -6.814 -2.902 1.00 0.00 C ATOM 749 NZ LYS A 73 32.366 -6.555 -4.251 1.00 0.00 N ATOM 0 H LYS A 73 28.888 -2.089 -1.163 1.00 0.00 H new ATOM 0 HA LYS A 73 29.731 -2.921 -3.867 1.00 0.00 H new ATOM 0 HB2 LYS A 73 30.836 -4.384 -2.092 1.00 0.00 H new ATOM 0 HB3 LYS A 73 29.235 -4.839 -1.543 1.00 0.00 H new ATOM 0 HG2 LYS A 73 28.682 -5.669 -3.851 1.00 0.00 H new ATOM 0 HG3 LYS A 73 30.288 -5.222 -4.393 1.00 0.00 H new ATOM 0 HD2 LYS A 73 29.824 -7.124 -2.045 1.00 0.00 H new ATOM 0 HD3 LYS A 73 29.975 -7.692 -3.696 1.00 0.00 H new ATOM 0 HE2 LYS A 73 32.070 -6.021 -2.211 1.00 0.00 H new ATOM 0 HE3 LYS A 73 32.176 -7.747 -2.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 33.343 -6.911 -4.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 31.798 -7.041 -4.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 32.364 -5.532 -4.439 1.00 0.00 H new ATOM 763 N VAL A 74 27.320 -3.057 -4.391 1.00 0.00 N ATOM 764 CA VAL A 74 25.904 -3.143 -4.735 1.00 0.00 C ATOM 765 C VAL A 74 25.592 -4.474 -5.405 1.00 0.00 C ATOM 766 O VAL A 74 26.286 -4.890 -6.334 1.00 0.00 O ATOM 767 CB VAL A 74 25.522 -1.996 -5.671 1.00 0.00 C ATOM 768 CG1 VAL A 74 24.061 -2.151 -6.101 1.00 0.00 C ATOM 769 CG2 VAL A 74 25.697 -0.663 -4.940 1.00 0.00 C ATOM 0 H VAL A 74 27.931 -2.801 -5.167 1.00 0.00 H new ATOM 0 HA VAL A 74 25.324 -3.070 -3.815 1.00 0.00 H new ATOM 0 HB VAL A 74 26.164 -2.017 -6.551 1.00 0.00 H new ATOM 0 HG11 VAL A 74 23.789 -1.333 -6.768 1.00 0.00 H new ATOM 0 HG12 VAL A 74 23.933 -3.101 -6.621 1.00 0.00 H new ATOM 0 HG13 VAL A 74 23.418 -2.130 -5.221 1.00 0.00 H new ATOM 0 HG21 VAL A 74 25.425 0.156 -5.606 1.00 0.00 H new ATOM 0 HG22 VAL A 74 25.054 -0.644 -4.060 1.00 0.00 H new ATOM 0 HG23 VAL A 74 26.737 -0.550 -4.632 1.00 0.00 H new ATOM 779 N GLY A 75 24.546 -5.143 -4.926 1.00 0.00 N ATOM 780 CA GLY A 75 24.157 -6.431 -5.488 1.00 0.00 C ATOM 781 C GLY A 75 22.694 -6.735 -5.184 1.00 0.00 C ATOM 782 O GLY A 75 22.008 -5.954 -4.509 1.00 0.00 O ATOM 0 H GLY A 75 23.959 -4.818 -4.158 1.00 0.00 H new ATOM 0 HA2 GLY A 75 24.315 -6.425 -6.566 1.00 0.00 H new ATOM 0 HA3 GLY A 75 24.790 -7.218 -5.077 1.00 0.00 H new ATOM 786 N ASN A 76 22.215 -7.867 -5.694 1.00 0.00 N ATOM 787 CA ASN A 76 20.826 -8.261 -5.476 1.00 0.00 C ATOM 788 C ASN A 76 20.743 -9.387 -4.449 1.00 0.00 C ATOM 789 O ASN A 76 21.513 -10.341 -4.497 1.00 0.00 O ATOM 790 CB ASN A 76 20.203 -8.727 -6.794 1.00 0.00 C ATOM 791 CG ASN A 76 20.247 -7.597 -7.819 1.00 0.00 C ATOM 792 OD1 ASN A 76 20.036 -6.437 -7.473 1.00 0.00 O ATOM 793 ND2 ASN A 76 20.509 -7.871 -9.067 1.00 0.00 N ATOM 0 H ASN A 76 22.761 -8.521 -6.255 1.00 0.00 H new ATOM 0 HA ASN A 76 20.278 -7.397 -5.099 1.00 0.00 H new ATOM 0 HB2 ASN A 76 20.742 -9.595 -7.174 1.00 0.00 H new ATOM 0 HB3 ASN A 76 19.172 -9.039 -6.628 1.00 0.00 H new ATOM 0 HD21 ASN A 76 20.539 -7.122 -9.758 1.00 0.00 H new ATOM 0 HD22 ASN A 76 20.684 -8.835 -9.352 1.00 0.00 H new ATOM 800 N PHE A 77 19.799 -9.266 -3.522 1.00 0.00 N ATOM 801 CA PHE A 77 19.621 -10.275 -2.483 1.00 0.00 C ATOM 802 C PHE A 77 18.142 -10.551 -2.245 1.00 0.00 C ATOM 803 O PHE A 77 17.290 -9.707 -2.514 1.00 0.00 O ATOM 804 CB PHE A 77 20.272 -9.797 -1.182 1.00 0.00 C ATOM 805 CG PHE A 77 19.696 -8.459 -0.792 1.00 0.00 C ATOM 806 CD1 PHE A 77 18.565 -8.391 0.026 1.00 0.00 C ATOM 807 CD2 PHE A 77 20.299 -7.281 -1.254 1.00 0.00 C ATOM 808 CE1 PHE A 77 18.035 -7.146 0.385 1.00 0.00 C ATOM 809 CE2 PHE A 77 19.770 -6.037 -0.894 1.00 0.00 C ATOM 810 CZ PHE A 77 18.637 -5.970 -0.075 1.00 0.00 C ATOM 0 H PHE A 77 19.148 -8.483 -3.468 1.00 0.00 H new ATOM 0 HA PHE A 77 20.097 -11.198 -2.813 1.00 0.00 H new ATOM 0 HB2 PHE A 77 20.100 -10.524 -0.388 1.00 0.00 H new ATOM 0 HB3 PHE A 77 21.351 -9.716 -1.311 1.00 0.00 H new ATOM 0 HD1 PHE A 77 18.100 -9.299 0.381 1.00 0.00 H new ATOM 0 HD2 PHE A 77 21.172 -7.334 -1.888 1.00 0.00 H new ATOM 0 HE1 PHE A 77 17.161 -7.093 1.017 1.00 0.00 H new ATOM 0 HE2 PHE A 77 20.236 -5.129 -1.248 1.00 0.00 H new ATOM 0 HZ PHE A 77 18.227 -5.010 0.202 1.00 0.00 H new ATOM 820 N LYS A 78 17.843 -11.746 -1.744 1.00 0.00 N ATOM 821 CA LYS A 78 16.461 -12.122 -1.483 1.00 0.00 C ATOM 822 C LYS A 78 15.952 -11.432 -0.220 1.00 0.00 C ATOM 823 O LYS A 78 16.552 -11.538 0.847 1.00 0.00 O ATOM 824 CB LYS A 78 16.363 -13.640 -1.312 1.00 0.00 C ATOM 825 CG LYS A 78 16.758 -14.331 -2.618 1.00 0.00 C ATOM 826 CD LYS A 78 16.691 -15.849 -2.434 1.00 0.00 C ATOM 827 CE LYS A 78 17.069 -16.539 -3.746 1.00 0.00 C ATOM 828 NZ LYS A 78 17.076 -18.015 -3.547 1.00 0.00 N ATOM 0 H LYS A 78 18.532 -12.462 -1.513 1.00 0.00 H new ATOM 0 HA LYS A 78 15.847 -11.809 -2.328 1.00 0.00 H new ATOM 0 HB2 LYS A 78 17.016 -13.968 -0.504 1.00 0.00 H new ATOM 0 HB3 LYS A 78 15.347 -13.920 -1.034 1.00 0.00 H new ATOM 0 HG2 LYS A 78 16.090 -14.022 -3.422 1.00 0.00 H new ATOM 0 HG3 LYS A 78 17.765 -14.034 -2.909 1.00 0.00 H new ATOM 0 HD2 LYS A 78 17.369 -16.160 -1.639 1.00 0.00 H new ATOM 0 HD3 LYS A 78 15.687 -16.145 -2.131 1.00 0.00 H new ATOM 0 HE2 LYS A 78 16.359 -16.270 -4.528 1.00 0.00 H new ATOM 0 HE3 LYS A 78 18.051 -16.201 -4.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 17.333 -18.484 -4.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 17.770 -18.263 -2.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 16.130 -18.330 -3.250 1.00 0.00 H new ATOM 842 N PHE A 79 14.845 -10.719 -0.358 1.00 0.00 N ATOM 843 CA PHE A 79 14.258 -10.009 0.771 1.00 0.00 C ATOM 844 C PHE A 79 13.768 -10.992 1.831 1.00 0.00 C ATOM 845 O PHE A 79 13.579 -10.626 2.987 1.00 0.00 O ATOM 846 CB PHE A 79 13.095 -9.131 0.304 1.00 0.00 C ATOM 847 CG PHE A 79 12.172 -9.944 -0.570 1.00 0.00 C ATOM 848 CD1 PHE A 79 11.229 -10.798 0.009 1.00 0.00 C ATOM 849 CD2 PHE A 79 12.262 -9.841 -1.964 1.00 0.00 C ATOM 850 CE1 PHE A 79 10.377 -11.553 -0.806 1.00 0.00 C ATOM 851 CE2 PHE A 79 11.411 -10.593 -2.777 1.00 0.00 C ATOM 852 CZ PHE A 79 10.469 -11.452 -2.199 1.00 0.00 C ATOM 0 H PHE A 79 14.336 -10.616 -1.236 1.00 0.00 H new ATOM 0 HA PHE A 79 15.029 -9.375 1.209 1.00 0.00 H new ATOM 0 HB2 PHE A 79 12.550 -8.742 1.164 1.00 0.00 H new ATOM 0 HB3 PHE A 79 13.473 -8.271 -0.249 1.00 0.00 H new ATOM 0 HD1 PHE A 79 11.158 -10.875 1.084 1.00 0.00 H new ATOM 0 HD2 PHE A 79 12.990 -9.180 -2.410 1.00 0.00 H new ATOM 0 HE1 PHE A 79 9.648 -12.214 -0.360 1.00 0.00 H new ATOM 0 HE2 PHE A 79 11.480 -10.512 -3.852 1.00 0.00 H new ATOM 0 HZ PHE A 79 9.814 -12.037 -2.828 1.00 0.00 H new ATOM 862 N ILE A 80 13.553 -12.235 1.424 1.00 0.00 N ATOM 863 CA ILE A 80 13.078 -13.260 2.346 1.00 0.00 C ATOM 864 C ILE A 80 14.080 -13.467 3.477 1.00 0.00 C ATOM 865 O ILE A 80 13.722 -13.931 4.559 1.00 0.00 O ATOM 866 CB ILE A 80 12.877 -14.576 1.594 1.00 0.00 C ATOM 867 CG1 ILE A 80 14.240 -15.202 1.283 1.00 0.00 C ATOM 868 CG2 ILE A 80 12.125 -14.317 0.284 1.00 0.00 C ATOM 869 CD1 ILE A 80 14.052 -16.409 0.359 1.00 0.00 C ATOM 0 H ILE A 80 13.698 -12.558 0.468 1.00 0.00 H new ATOM 0 HA ILE A 80 12.130 -12.933 2.772 1.00 0.00 H new ATOM 0 HB ILE A 80 12.295 -15.257 2.215 1.00 0.00 H new ATOM 0 HG12 ILE A 80 14.890 -14.466 0.809 1.00 0.00 H new ATOM 0 HG13 ILE A 80 14.729 -15.511 2.207 1.00 0.00 H new ATOM 0 HG21 ILE A 80 11.985 -15.258 -0.247 1.00 0.00 H new ATOM 0 HG22 ILE A 80 11.153 -13.876 0.504 1.00 0.00 H new ATOM 0 HG23 ILE A 80 12.702 -13.632 -0.337 1.00 0.00 H new ATOM 0 HD11 ILE A 80 15.023 -16.853 0.139 1.00 0.00 H new ATOM 0 HD12 ILE A 80 13.418 -17.147 0.850 1.00 0.00 H new ATOM 0 HD13 ILE A 80 13.581 -16.086 -0.570 1.00 0.00 H new ATOM 881 N TYR A 81 15.335 -13.108 3.221 1.00 0.00 N ATOM 882 CA TYR A 81 16.378 -13.247 4.227 1.00 0.00 C ATOM 883 C TYR A 81 16.695 -11.896 4.864 1.00 0.00 C ATOM 884 O TYR A 81 17.676 -11.762 5.595 1.00 0.00 O ATOM 885 CB TYR A 81 17.645 -13.824 3.595 1.00 0.00 C ATOM 886 CG TYR A 81 17.381 -15.242 3.144 1.00 0.00 C ATOM 887 CD1 TYR A 81 17.587 -15.604 1.807 1.00 0.00 C ATOM 888 CD2 TYR A 81 16.924 -16.196 4.063 1.00 0.00 C ATOM 889 CE1 TYR A 81 17.342 -16.918 1.392 1.00 0.00 C ATOM 890 CE2 TYR A 81 16.678 -17.508 3.648 1.00 0.00 C ATOM 891 CZ TYR A 81 16.886 -17.870 2.312 1.00 0.00 C ATOM 892 OH TYR A 81 16.644 -19.166 1.902 1.00 0.00 O ATOM 0 H TYR A 81 15.651 -12.722 2.331 1.00 0.00 H new ATOM 0 HA TYR A 81 16.018 -13.926 5.000 1.00 0.00 H new ATOM 0 HB2 TYR A 81 17.952 -13.212 2.747 1.00 0.00 H new ATOM 0 HB3 TYR A 81 18.464 -13.806 4.314 1.00 0.00 H new ATOM 0 HD1 TYR A 81 17.935 -14.869 1.096 1.00 0.00 H new ATOM 0 HD2 TYR A 81 16.762 -15.917 5.094 1.00 0.00 H new ATOM 0 HE1 TYR A 81 17.505 -17.198 0.362 1.00 0.00 H new ATOM 0 HE2 TYR A 81 16.327 -18.242 4.358 1.00 0.00 H new ATOM 0 HH TYR A 81 16.334 -19.698 2.664 1.00 0.00 H new ATOM 902 N VAL A 82 15.865 -10.894 4.577 1.00 0.00 N ATOM 903 CA VAL A 82 16.078 -9.563 5.123 1.00 0.00 C ATOM 904 C VAL A 82 14.760 -8.980 5.631 1.00 0.00 C ATOM 905 O VAL A 82 13.694 -9.258 5.083 1.00 0.00 O ATOM 906 CB VAL A 82 16.657 -8.645 4.044 1.00 0.00 C ATOM 907 CG1 VAL A 82 15.521 -7.907 3.330 1.00 0.00 C ATOM 908 CG2 VAL A 82 17.600 -7.631 4.690 1.00 0.00 C ATOM 0 H VAL A 82 15.047 -10.981 3.974 1.00 0.00 H new ATOM 0 HA VAL A 82 16.779 -9.637 5.954 1.00 0.00 H new ATOM 0 HB VAL A 82 17.208 -9.243 3.319 1.00 0.00 H new ATOM 0 HG11 VAL A 82 15.937 -7.254 2.562 1.00 0.00 H new ATOM 0 HG12 VAL A 82 14.851 -8.631 2.866 1.00 0.00 H new ATOM 0 HG13 VAL A 82 14.965 -7.309 4.052 1.00 0.00 H new ATOM 0 HG21 VAL A 82 18.013 -6.977 3.922 1.00 0.00 H new ATOM 0 HG22 VAL A 82 17.050 -7.034 5.417 1.00 0.00 H new ATOM 0 HG23 VAL A 82 18.411 -8.157 5.192 1.00 0.00 H new ATOM 918 N ASP A 83 14.845 -8.166 6.674 1.00 0.00 N ATOM 919 CA ASP A 83 13.657 -7.542 7.245 1.00 0.00 C ATOM 920 C ASP A 83 13.600 -6.066 6.865 1.00 0.00 C ATOM 921 O ASP A 83 14.576 -5.345 6.999 1.00 0.00 O ATOM 922 CB ASP A 83 13.666 -7.688 8.765 1.00 0.00 C ATOM 923 CG ASP A 83 12.356 -7.165 9.349 1.00 0.00 C ATOM 924 OD1 ASP A 83 11.511 -6.747 8.578 1.00 0.00 O ATOM 925 OD2 ASP A 83 12.219 -7.192 10.560 1.00 0.00 O ATOM 0 H ASP A 83 15.719 -7.922 7.141 1.00 0.00 H new ATOM 0 HA ASP A 83 12.775 -8.042 6.845 1.00 0.00 H new ATOM 0 HB2 ASP A 83 13.802 -8.735 9.037 1.00 0.00 H new ATOM 0 HB3 ASP A 83 14.507 -7.137 9.186 1.00 0.00 H new ATOM 930 N VAL A 84 12.448 -5.626 6.398 1.00 0.00 N ATOM 931 CA VAL A 84 12.273 -4.229 6.002 1.00 0.00 C ATOM 932 C VAL A 84 11.763 -3.393 7.174 1.00 0.00 C ATOM 933 O VAL A 84 10.823 -3.782 7.868 1.00 0.00 O ATOM 934 CB VAL A 84 11.285 -4.133 4.834 1.00 0.00 C ATOM 935 CG1 VAL A 84 10.054 -4.996 5.123 1.00 0.00 C ATOM 936 CG2 VAL A 84 10.849 -2.675 4.653 1.00 0.00 C ATOM 0 H VAL A 84 11.618 -6.207 6.281 1.00 0.00 H new ATOM 0 HA VAL A 84 13.242 -3.839 5.690 1.00 0.00 H new ATOM 0 HB VAL A 84 11.770 -4.488 3.925 1.00 0.00 H new ATOM 0 HG11 VAL A 84 9.355 -4.924 4.290 1.00 0.00 H new ATOM 0 HG12 VAL A 84 10.360 -6.034 5.251 1.00 0.00 H new ATOM 0 HG13 VAL A 84 9.569 -4.645 6.034 1.00 0.00 H new ATOM 0 HG21 VAL A 84 10.146 -2.606 3.823 1.00 0.00 H new ATOM 0 HG22 VAL A 84 10.368 -2.323 5.566 1.00 0.00 H new ATOM 0 HG23 VAL A 84 11.722 -2.058 4.442 1.00 0.00 H new ATOM 946 N ILE A 85 12.389 -2.241 7.387 1.00 0.00 N ATOM 947 CA ILE A 85 11.991 -1.357 8.476 1.00 0.00 C ATOM 948 C ILE A 85 11.654 0.033 7.946 1.00 0.00 C ATOM 949 O ILE A 85 12.117 0.429 6.877 1.00 0.00 O ATOM 950 CB ILE A 85 13.120 -1.253 9.504 1.00 0.00 C ATOM 951 CG1 ILE A 85 14.393 -0.751 8.819 1.00 0.00 C ATOM 952 CG2 ILE A 85 13.383 -2.631 10.116 1.00 0.00 C ATOM 953 CD1 ILE A 85 15.416 -0.337 9.873 1.00 0.00 C ATOM 0 H ILE A 85 13.168 -1.899 6.825 1.00 0.00 H new ATOM 0 HA ILE A 85 11.104 -1.776 8.951 1.00 0.00 H new ATOM 0 HB ILE A 85 12.830 -0.555 10.289 1.00 0.00 H new ATOM 0 HG12 ILE A 85 14.808 -1.533 8.183 1.00 0.00 H new ATOM 0 HG13 ILE A 85 14.160 0.095 8.172 1.00 0.00 H new ATOM 0 HG21 ILE A 85 14.187 -2.557 10.848 1.00 0.00 H new ATOM 0 HG22 ILE A 85 12.478 -2.990 10.606 1.00 0.00 H new ATOM 0 HG23 ILE A 85 13.671 -3.329 9.330 1.00 0.00 H new ATOM 0 HD11 ILE A 85 16.321 0.020 9.381 1.00 0.00 H new ATOM 0 HD12 ILE A 85 15.000 0.459 10.490 1.00 0.00 H new ATOM 0 HD13 ILE A 85 15.658 -1.194 10.501 1.00 0.00 H new ATOM 965 N SER A 86 10.846 0.769 8.701 1.00 0.00 N ATOM 966 CA SER A 86 10.454 2.114 8.299 1.00 0.00 C ATOM 967 C SER A 86 11.042 3.153 9.249 1.00 0.00 C ATOM 968 O SER A 86 11.226 2.888 10.437 1.00 0.00 O ATOM 969 CB SER A 86 8.930 2.233 8.289 1.00 0.00 C ATOM 970 OG SER A 86 8.398 1.349 7.311 1.00 0.00 O ATOM 0 H SER A 86 10.452 0.459 9.589 1.00 0.00 H new ATOM 0 HA SER A 86 10.839 2.298 7.296 1.00 0.00 H new ATOM 0 HB2 SER A 86 8.528 1.990 9.273 1.00 0.00 H new ATOM 0 HB3 SER A 86 8.635 3.259 8.068 1.00 0.00 H new ATOM 0 HG SER A 86 7.421 1.421 7.302 1.00 0.00 H new ATOM 976 N GLU A 87 11.333 4.335 8.718 1.00 0.00 N ATOM 977 CA GLU A 87 11.899 5.407 9.530 1.00 0.00 C ATOM 978 C GLU A 87 11.018 5.683 10.744 1.00 0.00 C ATOM 979 O GLU A 87 9.918 6.176 10.554 1.00 0.00 O ATOM 980 CB GLU A 87 12.033 6.681 8.693 1.00 0.00 C ATOM 981 CG GLU A 87 12.632 7.796 9.552 1.00 0.00 C ATOM 982 CD GLU A 87 12.856 9.044 8.706 1.00 0.00 C ATOM 983 OE1 GLU A 87 12.536 9.002 7.529 1.00 0.00 O ATOM 984 OE2 GLU A 87 13.347 10.022 9.246 1.00 0.00 O ATOM 0 H GLU A 87 11.188 4.575 7.737 1.00 0.00 H new ATOM 0 HA GLU A 87 12.884 5.094 9.875 1.00 0.00 H new ATOM 0 HB2 GLU A 87 12.667 6.494 7.827 1.00 0.00 H new ATOM 0 HB3 GLU A 87 11.057 6.984 8.314 1.00 0.00 H new ATOM 0 HG2 GLU A 87 11.964 8.025 10.382 1.00 0.00 H new ATOM 0 HG3 GLU A 87 13.576 7.466 9.984 1.00 0.00 H new TER 991 GLU A 87