USER MOD reduce.3.24.130724 H: found=0, std=0, add=689, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 690 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 31 ASN : amide:sc= -4.87! C(o=-5.5!,f=-10!) USER MOD Set 1.2: A 50 ASN : amide:sc= -0.633 K(o=-5.5,f=-11!) USER MOD Single : A 12 LYS NZ :NH3+ -166:sc= -0.265 (180deg=-0.608) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 13:sc= 1.1 USER MOD Single : A 21 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.167) USER MOD Single : A 36 THR OG1 : rot 61:sc= 0.869 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 57 THR OG1 : rot -79:sc= 0.647 USER MOD Single : A 59 LYS NZ :NH3+ -132:sc= 0.727 (180deg=0.0388) USER MOD Single : A 60 LYS NZ :NH3+ -167:sc=-0.00575 (180deg=-0.246) USER MOD Single : A 64 GLN :FLIP amide:sc= 0 F(o=-1.2!,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= -0.362 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot -100:sc= -0.336 USER MOD Single : A 80 ASN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 82 THR OG1 : rot 180:sc=0.000182 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl 156:sc= -2.1 (180deg=-4.63!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 46 N GLU A 5 -11.753 3.126 -3.901 1.00 1.58 N ATOM 47 CA GLU A 5 -10.397 2.495 -3.836 1.00 1.64 C ATOM 48 C GLU A 5 -10.531 1.090 -3.244 1.00 1.26 C ATOM 49 O GLU A 5 -11.365 0.846 -2.397 1.00 1.71 O ATOM 50 CB GLU A 5 -9.503 3.353 -2.941 1.00 2.56 C ATOM 51 CG GLU A 5 -9.386 4.752 -3.544 1.00 3.25 C ATOM 52 CD GLU A 5 -10.598 5.604 -3.149 1.00 4.18 C ATOM 53 OE1 GLU A 5 -11.412 5.131 -2.373 1.00 4.68 O ATOM 54 OE2 GLU A 5 -10.694 6.719 -3.635 1.00 4.72 O ATOM 0 HA GLU A 5 -9.959 2.426 -4.832 1.00 1.64 H new ATOM 0 HB2 GLU A 5 -9.922 3.411 -1.936 1.00 2.56 H new ATOM 0 HB3 GLU A 5 -8.516 2.899 -2.850 1.00 2.56 H new ATOM 0 HG2 GLU A 5 -8.469 5.229 -3.198 1.00 3.25 H new ATOM 0 HG3 GLU A 5 -9.319 4.683 -4.630 1.00 3.25 H new ATOM 61 N VAL A 6 -9.704 0.172 -3.673 1.00 1.37 N ATOM 62 CA VAL A 6 -9.755 -1.225 -3.137 1.00 1.13 C ATOM 63 C VAL A 6 -8.859 -2.112 -4.011 1.00 0.99 C ATOM 64 O VAL A 6 -9.062 -2.192 -5.200 1.00 1.03 O ATOM 65 CB VAL A 6 -11.191 -1.754 -3.164 1.00 1.36 C ATOM 66 CG1 VAL A 6 -11.903 -1.224 -4.398 1.00 2.38 C ATOM 67 CG2 VAL A 6 -11.165 -3.278 -3.207 1.00 1.54 C ATOM 0 H VAL A 6 -8.986 0.331 -4.380 1.00 1.37 H new ATOM 0 HA VAL A 6 -9.405 -1.235 -2.105 1.00 1.13 H new ATOM 0 HB VAL A 6 -11.720 -1.422 -2.270 1.00 1.36 H new ATOM 0 HG11 VAL A 6 -12.926 -1.600 -4.418 1.00 2.38 H new ATOM 0 HG12 VAL A 6 -11.918 -0.134 -4.370 1.00 2.38 H new ATOM 0 HG13 VAL A 6 -11.377 -1.557 -5.293 1.00 2.38 H new ATOM 0 HG21 VAL A 6 -12.186 -3.659 -3.226 1.00 1.54 H new ATOM 0 HG22 VAL A 6 -10.638 -3.608 -4.102 1.00 1.54 H new ATOM 0 HG23 VAL A 6 -10.653 -3.658 -2.323 1.00 1.54 H new ATOM 77 N GLY A 7 -7.884 -2.787 -3.453 1.00 0.95 N ATOM 78 CA GLY A 7 -7.017 -3.673 -4.302 1.00 0.96 C ATOM 79 C GLY A 7 -6.115 -2.825 -5.188 1.00 0.91 C ATOM 80 O GLY A 7 -5.717 -3.245 -6.257 1.00 1.47 O ATOM 0 H GLY A 7 -7.650 -2.766 -2.460 1.00 0.95 H new ATOM 0 HA2 GLY A 7 -6.412 -4.320 -3.667 1.00 0.96 H new ATOM 0 HA3 GLY A 7 -7.639 -4.322 -4.918 1.00 0.96 H new ATOM 84 N ARG A 8 -5.846 -1.621 -4.782 1.00 0.62 N ATOM 85 CA ARG A 8 -5.031 -0.696 -5.616 1.00 0.60 C ATOM 86 C ARG A 8 -3.741 -0.313 -4.880 1.00 0.52 C ATOM 87 O ARG A 8 -3.630 -0.495 -3.682 1.00 0.57 O ATOM 88 CB ARG A 8 -5.843 0.576 -5.878 1.00 0.67 C ATOM 89 CG ARG A 8 -7.105 0.234 -6.672 1.00 1.19 C ATOM 90 CD ARG A 8 -7.878 1.517 -6.987 1.00 1.16 C ATOM 91 NE ARG A 8 -7.119 2.330 -7.979 1.00 1.98 N ATOM 92 CZ ARG A 8 -7.577 3.495 -8.351 1.00 2.55 C ATOM 93 NH1 ARG A 8 -8.688 3.952 -7.843 1.00 2.63 N ATOM 94 NH2 ARG A 8 -6.923 4.205 -9.230 1.00 3.56 N ATOM 0 H ARG A 8 -6.160 -1.230 -3.894 1.00 0.62 H new ATOM 0 HA ARG A 8 -4.776 -1.191 -6.553 1.00 0.60 H new ATOM 0 HB2 ARG A 8 -6.114 1.046 -4.933 1.00 0.67 H new ATOM 0 HB3 ARG A 8 -5.239 1.296 -6.430 1.00 0.67 H new ATOM 0 HG2 ARG A 8 -6.837 -0.277 -7.597 1.00 1.19 H new ATOM 0 HG3 ARG A 8 -7.733 -0.449 -6.100 1.00 1.19 H new ATOM 0 HD2 ARG A 8 -8.864 1.271 -7.382 1.00 1.16 H new ATOM 0 HD3 ARG A 8 -8.034 2.092 -6.074 1.00 1.16 H new ATOM 0 HE ARG A 8 -6.244 1.977 -8.366 1.00 1.98 H new ATOM 0 HH11 ARG A 8 -9.199 3.399 -7.155 1.00 2.63 H new ATOM 0 HH12 ARG A 8 -9.045 4.862 -8.134 1.00 2.63 H new ATOM 0 HH21 ARG A 8 -6.053 3.850 -9.627 1.00 3.56 H new ATOM 0 HH22 ARG A 8 -7.282 5.115 -9.520 1.00 3.56 H new ATOM 108 N ILE A 9 -2.775 0.238 -5.581 1.00 0.50 N ATOM 109 CA ILE A 9 -1.506 0.655 -4.900 1.00 0.51 C ATOM 110 C ILE A 9 -1.593 2.124 -4.524 1.00 0.41 C ATOM 111 O ILE A 9 -2.137 2.953 -5.242 1.00 0.39 O ATOM 112 CB ILE A 9 -0.291 0.411 -5.796 1.00 0.64 C ATOM 113 CG1 ILE A 9 -0.170 -1.089 -6.069 1.00 1.05 C ATOM 114 CG2 ILE A 9 0.981 0.938 -5.105 1.00 0.92 C ATOM 115 CD1 ILE A 9 0.892 -1.329 -7.146 1.00 1.43 C ATOM 0 H ILE A 9 -2.810 0.415 -6.585 1.00 0.50 H new ATOM 0 HA ILE A 9 -1.382 0.053 -4.000 1.00 0.51 H new ATOM 0 HB ILE A 9 -0.413 0.940 -6.741 1.00 0.64 H new ATOM 0 HG12 ILE A 9 0.100 -1.615 -5.153 1.00 1.05 H new ATOM 0 HG13 ILE A 9 -1.130 -1.489 -6.395 1.00 1.05 H new ATOM 0 HG21 ILE A 9 1.844 0.762 -5.747 1.00 0.92 H new ATOM 0 HG22 ILE A 9 0.878 2.007 -4.921 1.00 0.92 H new ATOM 0 HG23 ILE A 9 1.122 0.418 -4.157 1.00 0.92 H new ATOM 0 HD11 ILE A 9 0.978 -2.398 -7.340 1.00 1.43 H new ATOM 0 HD12 ILE A 9 0.603 -0.816 -8.063 1.00 1.43 H new ATOM 0 HD13 ILE A 9 1.852 -0.944 -6.802 1.00 1.43 H new ATOM 127 N CYS A 10 -1.129 2.419 -3.338 1.00 0.40 N ATOM 128 CA CYS A 10 -1.222 3.784 -2.774 1.00 0.35 C ATOM 129 C CYS A 10 0.148 4.374 -2.517 1.00 0.35 C ATOM 130 O CYS A 10 1.112 3.686 -2.313 1.00 0.40 O ATOM 131 CB CYS A 10 -1.929 3.660 -1.423 1.00 0.36 C ATOM 132 SG CYS A 10 -0.993 4.463 -0.072 1.00 1.19 S ATOM 0 H CYS A 10 -0.676 1.743 -2.723 1.00 0.40 H new ATOM 0 HA CYS A 10 -1.752 4.427 -3.477 1.00 0.35 H new ATOM 0 HB2 CYS A 10 -2.920 4.109 -1.492 1.00 0.36 H new ATOM 0 HB3 CYS A 10 -2.072 2.606 -1.186 1.00 0.36 H new ATOM 137 N VAL A 11 0.190 5.654 -2.484 1.00 0.34 N ATOM 138 CA VAL A 11 1.450 6.393 -2.173 1.00 0.41 C ATOM 139 C VAL A 11 1.141 7.255 -0.955 1.00 0.41 C ATOM 140 O VAL A 11 0.093 7.852 -0.904 1.00 0.39 O ATOM 141 CB VAL A 11 1.842 7.280 -3.358 1.00 0.53 C ATOM 142 CG1 VAL A 11 3.186 7.957 -3.074 1.00 0.79 C ATOM 143 CG2 VAL A 11 1.965 6.418 -4.617 1.00 0.95 C ATOM 0 H VAL A 11 -0.615 6.254 -2.663 1.00 0.34 H new ATOM 0 HA VAL A 11 2.279 5.711 -1.981 1.00 0.41 H new ATOM 0 HB VAL A 11 1.078 8.043 -3.507 1.00 0.53 H new ATOM 0 HG11 VAL A 11 3.462 8.587 -3.919 1.00 0.79 H new ATOM 0 HG12 VAL A 11 3.102 8.570 -2.177 1.00 0.79 H new ATOM 0 HG13 VAL A 11 3.952 7.196 -2.924 1.00 0.79 H new ATOM 0 HG21 VAL A 11 2.244 7.047 -5.463 1.00 0.95 H new ATOM 0 HG22 VAL A 11 2.729 5.656 -4.463 1.00 0.95 H new ATOM 0 HG23 VAL A 11 1.009 5.936 -4.823 1.00 0.95 H new ATOM 153 N LYS A 12 1.967 7.331 0.053 1.00 0.50 N ATOM 154 CA LYS A 12 1.570 8.161 1.223 1.00 0.58 C ATOM 155 C LYS A 12 2.090 9.584 1.097 1.00 0.66 C ATOM 156 O LYS A 12 3.270 9.784 0.885 1.00 0.86 O ATOM 157 CB LYS A 12 2.232 7.547 2.461 1.00 0.77 C ATOM 158 CG LYS A 12 1.656 6.154 2.715 1.00 1.44 C ATOM 159 CD LYS A 12 2.218 5.602 4.026 1.00 1.81 C ATOM 160 CE LYS A 12 1.739 4.162 4.221 1.00 2.64 C ATOM 161 NZ LYS A 12 0.311 4.168 4.645 1.00 3.12 N ATOM 0 H LYS A 12 2.874 6.869 0.117 1.00 0.50 H new ATOM 0 HA LYS A 12 0.482 8.184 1.287 1.00 0.58 H new ATOM 0 HB2 LYS A 12 3.310 7.484 2.315 1.00 0.77 H new ATOM 0 HB3 LYS A 12 2.064 8.184 3.329 1.00 0.77 H new ATOM 0 HG2 LYS A 12 0.568 6.202 2.765 1.00 1.44 H new ATOM 0 HG3 LYS A 12 1.908 5.488 1.890 1.00 1.44 H new ATOM 0 HD2 LYS A 12 3.307 5.635 4.009 1.00 1.81 H new ATOM 0 HD3 LYS A 12 1.893 6.221 4.862 1.00 1.81 H new ATOM 0 HE2 LYS A 12 1.852 3.601 3.293 1.00 2.64 H new ATOM 0 HE3 LYS A 12 2.351 3.662 4.972 1.00 2.64 H new ATOM 0 HZ1 LYS A 12 0.052 3.227 5.004 1.00 3.12 H new ATOM 0 HZ2 LYS A 12 0.175 4.875 5.396 1.00 3.12 H new ATOM 0 HZ3 LYS A 12 -0.292 4.406 3.832 1.00 3.12 H new ATOM 175 N VAL A 13 1.242 10.583 1.280 1.00 0.63 N ATOM 176 CA VAL A 13 1.769 11.971 1.221 1.00 0.80 C ATOM 177 C VAL A 13 1.505 12.699 2.542 1.00 0.93 C ATOM 178 O VAL A 13 0.383 12.920 2.952 1.00 0.88 O ATOM 179 CB VAL A 13 1.043 12.707 0.107 1.00 0.82 C ATOM 180 CG1 VAL A 13 1.630 14.110 -0.061 1.00 1.69 C ATOM 181 CG2 VAL A 13 1.188 11.928 -1.202 1.00 1.27 C ATOM 0 H VAL A 13 0.242 10.490 1.461 1.00 0.63 H new ATOM 0 HA VAL A 13 2.843 11.944 1.040 1.00 0.80 H new ATOM 0 HB VAL A 13 -0.013 12.791 0.364 1.00 0.82 H new ATOM 0 HG11 VAL A 13 1.104 14.631 -0.861 1.00 1.69 H new ATOM 0 HG12 VAL A 13 1.516 14.666 0.870 1.00 1.69 H new ATOM 0 HG13 VAL A 13 2.688 14.034 -0.311 1.00 1.69 H new ATOM 0 HG21 VAL A 13 0.667 12.457 -2.000 1.00 1.27 H new ATOM 0 HG22 VAL A 13 2.244 11.837 -1.456 1.00 1.27 H new ATOM 0 HG23 VAL A 13 0.757 10.934 -1.084 1.00 1.27 H new ATOM 191 N LYS A 14 2.563 13.123 3.152 1.00 1.19 N ATOM 192 CA LYS A 14 2.497 13.918 4.409 1.00 1.42 C ATOM 193 C LYS A 14 3.668 14.887 4.374 1.00 1.67 C ATOM 194 O LYS A 14 4.678 14.565 3.781 1.00 1.73 O ATOM 195 CB LYS A 14 2.590 13.006 5.640 1.00 1.43 C ATOM 196 CG LYS A 14 1.400 12.044 5.652 1.00 1.52 C ATOM 197 CD LYS A 14 1.426 11.214 6.936 1.00 1.56 C ATOM 198 CE LYS A 14 0.311 10.168 6.889 1.00 2.28 C ATOM 199 NZ LYS A 14 0.150 9.551 8.236 1.00 2.43 N ATOM 0 H LYS A 14 3.512 12.947 2.822 1.00 1.19 H new ATOM 0 HA LYS A 14 1.548 14.450 4.480 1.00 1.42 H new ATOM 0 HB2 LYS A 14 3.525 12.445 5.621 1.00 1.43 H new ATOM 0 HB3 LYS A 14 2.596 13.605 6.550 1.00 1.43 H new ATOM 0 HG2 LYS A 14 0.467 12.603 5.587 1.00 1.52 H new ATOM 0 HG3 LYS A 14 1.440 11.388 4.782 1.00 1.52 H new ATOM 0 HD2 LYS A 14 2.394 10.725 7.046 1.00 1.56 H new ATOM 0 HD3 LYS A 14 1.296 11.862 7.803 1.00 1.56 H new ATOM 0 HE2 LYS A 14 -0.624 10.632 6.576 1.00 2.28 H new ATOM 0 HE3 LYS A 14 0.549 9.401 6.152 1.00 2.28 H new ATOM 0 HZ1 LYS A 14 -0.608 8.840 8.204 1.00 2.43 H new ATOM 0 HZ2 LYS A 14 1.041 9.095 8.518 1.00 2.43 H new ATOM 0 HZ3 LYS A 14 -0.095 10.287 8.928 1.00 2.43 H new ATOM 213 N GLY A 15 3.625 16.026 5.001 1.00 1.91 N ATOM 214 CA GLY A 15 4.847 16.870 4.941 1.00 2.20 C ATOM 215 C GLY A 15 5.740 16.367 6.069 1.00 2.22 C ATOM 216 O GLY A 15 5.327 15.496 6.801 1.00 2.26 O ATOM 0 H GLY A 15 2.836 16.398 5.530 1.00 1.91 H new ATOM 0 HA2 GLY A 15 5.343 16.776 3.975 1.00 2.20 H new ATOM 0 HA3 GLY A 15 4.604 17.924 5.073 1.00 2.20 H new ATOM 220 N ARG A 16 6.951 16.860 6.180 1.00 2.31 N ATOM 221 CA ARG A 16 7.893 16.332 7.232 1.00 2.37 C ATOM 222 C ARG A 16 7.619 14.823 7.394 1.00 2.28 C ATOM 223 O ARG A 16 6.772 14.427 8.163 1.00 2.27 O ATOM 224 CB ARG A 16 7.638 17.045 8.563 1.00 2.49 C ATOM 225 CG ARG A 16 7.981 18.529 8.424 1.00 2.87 C ATOM 226 CD ARG A 16 7.848 19.212 9.788 1.00 3.02 C ATOM 227 NE ARG A 16 6.472 18.996 10.319 1.00 3.63 N ATOM 228 CZ ARG A 16 6.245 19.085 11.603 1.00 4.15 C ATOM 229 NH1 ARG A 16 7.222 19.367 12.422 1.00 4.18 N ATOM 230 NH2 ARG A 16 5.041 18.893 12.067 1.00 4.93 N ATOM 0 H ARG A 16 7.331 17.602 5.593 1.00 2.31 H new ATOM 0 HA ARG A 16 8.928 16.506 6.937 1.00 2.37 H new ATOM 0 HB2 ARG A 16 6.594 16.928 8.855 1.00 2.49 H new ATOM 0 HB3 ARG A 16 8.242 16.594 9.350 1.00 2.49 H new ATOM 0 HG2 ARG A 16 8.996 18.645 8.044 1.00 2.87 H new ATOM 0 HG3 ARG A 16 7.315 19.001 7.702 1.00 2.87 H new ATOM 0 HD2 ARG A 16 8.585 18.808 10.482 1.00 3.02 H new ATOM 0 HD3 ARG A 16 8.050 20.279 9.694 1.00 3.02 H new ATOM 0 HE ARG A 16 5.707 18.779 9.680 1.00 3.63 H new ATOM 0 HH11 ARG A 16 8.164 19.518 12.060 1.00 4.18 H new ATOM 0 HH12 ARG A 16 7.044 19.436 13.424 1.00 4.18 H new ATOM 0 HH21 ARG A 16 4.277 18.673 11.428 1.00 4.93 H new ATOM 0 HH22 ARG A 16 4.864 18.962 13.069 1.00 4.93 H new ATOM 244 N GLU A 17 8.317 14.005 6.634 1.00 2.28 N ATOM 245 CA GLU A 17 8.111 12.514 6.634 1.00 2.23 C ATOM 246 C GLU A 17 7.050 12.200 5.579 1.00 1.93 C ATOM 247 O GLU A 17 6.011 12.826 5.534 1.00 2.50 O ATOM 248 CB GLU A 17 7.642 11.959 7.988 1.00 2.57 C ATOM 249 CG GLU A 17 7.677 10.424 7.929 1.00 2.68 C ATOM 250 CD GLU A 17 7.120 9.851 9.234 1.00 2.78 C ATOM 251 OE1 GLU A 17 6.726 10.635 10.082 1.00 3.04 O ATOM 252 OE2 GLU A 17 7.098 8.638 9.364 1.00 3.13 O ATOM 0 H GLU A 17 9.045 14.320 5.993 1.00 2.28 H new ATOM 0 HA GLU A 17 9.070 12.042 6.421 1.00 2.23 H new ATOM 0 HB2 GLU A 17 8.287 12.321 8.789 1.00 2.57 H new ATOM 0 HB3 GLU A 17 6.633 12.306 8.210 1.00 2.57 H new ATOM 0 HG2 GLU A 17 7.089 10.068 7.083 1.00 2.68 H new ATOM 0 HG3 GLU A 17 8.699 10.078 7.775 1.00 2.68 H new ATOM 259 N ALA A 18 7.316 11.218 4.753 1.00 1.46 N ATOM 260 CA ALA A 18 6.345 10.817 3.688 1.00 1.34 C ATOM 261 C ALA A 18 7.066 10.173 2.515 1.00 1.18 C ATOM 262 O ALA A 18 7.627 10.855 1.679 1.00 1.77 O ATOM 263 CB ALA A 18 5.612 12.041 3.139 1.00 1.78 C ATOM 0 H ALA A 18 8.176 10.670 4.772 1.00 1.46 H new ATOM 0 HA ALA A 18 5.645 10.116 4.143 1.00 1.34 H new ATOM 0 HB1 ALA A 18 4.910 11.728 2.366 1.00 1.78 H new ATOM 0 HB2 ALA A 18 5.068 12.531 3.946 1.00 1.78 H new ATOM 0 HB3 ALA A 18 6.335 12.737 2.713 1.00 1.78 H new ATOM 269 N GLY A 19 6.958 8.890 2.360 1.00 1.06 N ATOM 270 CA GLY A 19 7.527 8.267 1.148 1.00 1.02 C ATOM 271 C GLY A 19 7.353 6.752 1.214 1.00 0.78 C ATOM 272 O GLY A 19 8.293 6.037 1.503 1.00 0.90 O ATOM 0 H GLY A 19 6.505 8.252 3.014 1.00 1.06 H new ATOM 0 HA2 GLY A 19 7.033 8.660 0.260 1.00 1.02 H new ATOM 0 HA3 GLY A 19 8.584 8.517 1.062 1.00 1.02 H new ATOM 276 N SER A 20 6.200 6.229 0.886 1.00 0.62 N ATOM 277 CA SER A 20 6.076 4.743 0.877 1.00 0.54 C ATOM 278 C SER A 20 4.928 4.309 -0.044 1.00 0.48 C ATOM 279 O SER A 20 3.886 4.934 -0.044 1.00 0.53 O ATOM 280 CB SER A 20 5.820 4.269 2.309 1.00 0.71 C ATOM 281 OG SER A 20 7.060 4.174 2.997 1.00 1.36 O ATOM 0 H SER A 20 5.361 6.750 0.631 1.00 0.62 H new ATOM 0 HA SER A 20 6.996 4.297 0.499 1.00 0.54 H new ATOM 0 HB2 SER A 20 5.158 4.966 2.823 1.00 0.71 H new ATOM 0 HB3 SER A 20 5.320 3.301 2.301 1.00 0.71 H new ATOM 0 HG SER A 20 7.759 4.621 2.475 1.00 1.36 H new ATOM 287 N LYS A 21 5.058 3.225 -0.791 1.00 0.45 N ATOM 288 CA LYS A 21 3.906 2.780 -1.635 1.00 0.44 C ATOM 289 C LYS A 21 3.111 1.759 -0.833 1.00 0.39 C ATOM 290 O LYS A 21 3.655 1.078 0.014 1.00 0.39 O ATOM 291 CB LYS A 21 4.345 2.137 -2.947 1.00 0.51 C ATOM 292 CG LYS A 21 5.046 3.159 -3.827 1.00 1.45 C ATOM 293 CD LYS A 21 5.372 2.527 -5.182 1.00 1.74 C ATOM 294 CE LYS A 21 6.183 3.513 -6.024 1.00 2.27 C ATOM 295 NZ LYS A 21 5.310 4.651 -6.432 1.00 3.16 N ATOM 0 H LYS A 21 5.896 2.646 -0.848 1.00 0.45 H new ATOM 0 HA LYS A 21 3.314 3.659 -1.890 1.00 0.44 H new ATOM 0 HB2 LYS A 21 5.015 1.301 -2.744 1.00 0.51 H new ATOM 0 HB3 LYS A 21 3.478 1.731 -3.469 1.00 0.51 H new ATOM 0 HG2 LYS A 21 4.410 4.033 -3.965 1.00 1.45 H new ATOM 0 HG3 LYS A 21 5.961 3.503 -3.345 1.00 1.45 H new ATOM 0 HD2 LYS A 21 5.936 1.605 -5.039 1.00 1.74 H new ATOM 0 HD3 LYS A 21 4.452 2.260 -5.701 1.00 1.74 H new ATOM 0 HE2 LYS A 21 7.035 3.881 -5.453 1.00 2.27 H new ATOM 0 HE3 LYS A 21 6.582 3.012 -6.906 1.00 2.27 H new ATOM 0 HZ1 LYS A 21 5.791 5.213 -7.163 1.00 3.16 H new ATOM 0 HZ2 LYS A 21 4.414 4.283 -6.811 1.00 3.16 H new ATOM 0 HZ3 LYS A 21 5.115 5.252 -5.606 1.00 3.16 H new ATOM 309 N CYS A 22 1.824 1.696 -1.027 1.00 0.39 N ATOM 310 CA CYS A 22 1.005 0.773 -0.199 1.00 0.38 C ATOM 311 C CYS A 22 -0.039 0.012 -1.022 1.00 0.36 C ATOM 312 O CYS A 22 -0.657 0.556 -1.898 1.00 0.39 O ATOM 313 CB CYS A 22 0.294 1.690 0.788 1.00 0.46 C ATOM 314 SG CYS A 22 0.713 3.401 0.311 1.00 0.78 S ATOM 0 H CYS A 22 1.308 2.240 -1.718 1.00 0.39 H new ATOM 0 HA CYS A 22 1.630 0.012 0.269 1.00 0.38 H new ATOM 0 HB2 CYS A 22 -0.784 1.532 0.755 1.00 0.46 H new ATOM 0 HB3 CYS A 22 0.615 1.483 1.809 1.00 0.46 H new ATOM 319 N VAL A 23 -0.279 -1.232 -0.694 1.00 0.34 N ATOM 320 CA VAL A 23 -1.321 -2.026 -1.399 1.00 0.35 C ATOM 321 C VAL A 23 -2.511 -2.115 -0.442 1.00 0.37 C ATOM 322 O VAL A 23 -2.336 -2.250 0.752 1.00 0.39 O ATOM 323 CB VAL A 23 -0.778 -3.418 -1.720 1.00 0.39 C ATOM 324 CG1 VAL A 23 -1.820 -4.202 -2.519 1.00 0.43 C ATOM 325 CG2 VAL A 23 0.497 -3.269 -2.554 1.00 0.41 C ATOM 0 H VAL A 23 0.213 -1.736 0.044 1.00 0.34 H new ATOM 0 HA VAL A 23 -1.615 -1.565 -2.342 1.00 0.35 H new ATOM 0 HB VAL A 23 -0.558 -3.952 -0.796 1.00 0.39 H new ATOM 0 HG11 VAL A 23 -1.432 -5.195 -2.748 1.00 0.43 H new ATOM 0 HG12 VAL A 23 -2.734 -4.296 -1.932 1.00 0.43 H new ATOM 0 HG13 VAL A 23 -2.038 -3.675 -3.448 1.00 0.43 H new ATOM 0 HG21 VAL A 23 0.895 -4.256 -2.790 1.00 0.41 H new ATOM 0 HG22 VAL A 23 0.267 -2.740 -3.479 1.00 0.41 H new ATOM 0 HG23 VAL A 23 1.238 -2.705 -1.988 1.00 0.41 H new ATOM 335 N ILE A 24 -3.710 -1.961 -0.939 1.00 0.37 N ATOM 336 CA ILE A 24 -4.892 -1.947 -0.020 1.00 0.41 C ATOM 337 C ILE A 24 -5.613 -3.287 -0.010 1.00 0.41 C ATOM 338 O ILE A 24 -5.961 -3.827 -1.042 1.00 0.41 O ATOM 339 CB ILE A 24 -5.868 -0.871 -0.506 1.00 0.44 C ATOM 340 CG1 ILE A 24 -5.145 0.476 -0.569 1.00 0.45 C ATOM 341 CG2 ILE A 24 -7.041 -0.769 0.472 1.00 0.48 C ATOM 342 CD1 ILE A 24 -6.064 1.531 -1.190 1.00 0.51 C ATOM 0 H ILE A 24 -3.924 -1.845 -1.930 1.00 0.37 H new ATOM 0 HA ILE A 24 -4.540 -1.742 0.991 1.00 0.41 H new ATOM 0 HB ILE A 24 -6.239 -1.136 -1.496 1.00 0.44 H new ATOM 0 HG12 ILE A 24 -4.846 0.785 0.432 1.00 0.45 H new ATOM 0 HG13 ILE A 24 -4.233 0.382 -1.159 1.00 0.45 H new ATOM 0 HG21 ILE A 24 -7.736 -0.004 0.128 1.00 0.48 H new ATOM 0 HG22 ILE A 24 -7.555 -1.729 0.525 1.00 0.48 H new ATOM 0 HG23 ILE A 24 -6.668 -0.502 1.461 1.00 0.48 H new ATOM 0 HD11 ILE A 24 -5.543 2.488 -1.232 1.00 0.51 H new ATOM 0 HD12 ILE A 24 -6.341 1.224 -2.199 1.00 0.51 H new ATOM 0 HD13 ILE A 24 -6.963 1.634 -0.582 1.00 0.51 H new ATOM 354 N VAL A 25 -5.902 -3.799 1.171 1.00 0.44 N ATOM 355 CA VAL A 25 -6.674 -5.070 1.241 1.00 0.45 C ATOM 356 C VAL A 25 -7.633 -5.038 2.449 1.00 0.65 C ATOM 357 O VAL A 25 -7.493 -5.806 3.373 1.00 1.30 O ATOM 358 CB VAL A 25 -5.641 -6.200 1.474 1.00 0.65 C ATOM 359 CG1 VAL A 25 -6.000 -7.441 0.668 1.00 1.10 C ATOM 360 CG2 VAL A 25 -4.241 -5.734 1.060 1.00 0.68 C ATOM 0 H VAL A 25 -5.638 -3.393 2.069 1.00 0.44 H new ATOM 0 HA VAL A 25 -7.254 -5.219 0.330 1.00 0.45 H new ATOM 0 HB VAL A 25 -5.653 -6.445 2.536 1.00 0.65 H new ATOM 0 HG11 VAL A 25 -5.259 -8.220 0.849 1.00 1.10 H new ATOM 0 HG12 VAL A 25 -6.984 -7.799 0.970 1.00 1.10 H new ATOM 0 HG13 VAL A 25 -6.014 -7.194 -0.394 1.00 1.10 H new ATOM 0 HG21 VAL A 25 -3.525 -6.538 1.229 1.00 0.68 H new ATOM 0 HG22 VAL A 25 -4.244 -5.467 0.003 1.00 0.68 H new ATOM 0 HG23 VAL A 25 -3.957 -4.865 1.653 1.00 0.68 H new ATOM 370 N ASP A 26 -8.686 -4.259 2.377 1.00 0.41 N ATOM 371 CA ASP A 26 -9.740 -4.275 3.449 1.00 0.53 C ATOM 372 C ASP A 26 -10.672 -3.092 3.268 1.00 0.43 C ATOM 373 O ASP A 26 -10.193 -1.977 3.058 1.00 0.45 O ATOM 374 CB ASP A 26 -9.176 -4.129 4.848 1.00 0.76 C ATOM 375 CG ASP A 26 -10.289 -4.369 5.869 1.00 0.99 C ATOM 376 OD1 ASP A 26 -11.379 -4.725 5.453 1.00 1.56 O ATOM 377 OD2 ASP A 26 -10.034 -4.192 7.048 1.00 1.48 O ATOM 0 H ASP A 26 -8.865 -3.605 1.615 1.00 0.41 H new ATOM 0 HA ASP A 26 -10.239 -5.239 3.350 1.00 0.53 H new ATOM 0 HB2 ASP A 26 -8.366 -4.842 5.002 1.00 0.76 H new ATOM 0 HB3 ASP A 26 -8.754 -3.133 4.980 1.00 0.76 H new ATOM 382 N ILE A 27 -11.934 -3.260 3.560 1.00 0.57 N ATOM 383 CA ILE A 27 -12.843 -2.082 3.607 1.00 0.65 C ATOM 384 C ILE A 27 -13.452 -2.129 5.011 1.00 0.63 C ATOM 385 O ILE A 27 -14.010 -3.135 5.401 1.00 0.79 O ATOM 386 CB ILE A 27 -13.941 -2.214 2.548 1.00 0.94 C ATOM 387 CG1 ILE A 27 -14.882 -1.011 2.641 1.00 1.59 C ATOM 388 CG2 ILE A 27 -14.735 -3.499 2.791 1.00 1.36 C ATOM 389 CD1 ILE A 27 -15.739 -0.934 1.375 1.00 1.80 C ATOM 0 H ILE A 27 -12.372 -4.158 3.767 1.00 0.57 H new ATOM 0 HA ILE A 27 -12.323 -1.145 3.407 1.00 0.65 H new ATOM 0 HB ILE A 27 -13.488 -2.249 1.557 1.00 0.94 H new ATOM 0 HG12 ILE A 27 -15.520 -1.102 3.520 1.00 1.59 H new ATOM 0 HG13 ILE A 27 -14.306 -0.093 2.759 1.00 1.59 H new ATOM 0 HG21 ILE A 27 -15.516 -3.592 2.037 1.00 1.36 H new ATOM 0 HG22 ILE A 27 -14.066 -4.357 2.728 1.00 1.36 H new ATOM 0 HG23 ILE A 27 -15.189 -3.464 3.781 1.00 1.36 H new ATOM 0 HD11 ILE A 27 -16.409 -0.077 1.441 1.00 1.80 H new ATOM 0 HD12 ILE A 27 -15.093 -0.823 0.504 1.00 1.80 H new ATOM 0 HD13 ILE A 27 -16.326 -1.847 1.277 1.00 1.80 H new ATOM 401 N ILE A 28 -13.338 -1.084 5.784 1.00 0.57 N ATOM 402 CA ILE A 28 -13.901 -1.132 7.170 1.00 0.58 C ATOM 403 C ILE A 28 -15.267 -0.441 7.261 1.00 0.66 C ATOM 404 O ILE A 28 -16.307 -1.062 7.173 1.00 0.71 O ATOM 405 CB ILE A 28 -12.876 -0.435 8.064 1.00 0.57 C ATOM 406 CG1 ILE A 28 -11.563 -1.224 8.006 1.00 0.68 C ATOM 407 CG2 ILE A 28 -13.353 -0.332 9.514 1.00 0.61 C ATOM 408 CD1 ILE A 28 -10.471 -0.489 8.785 1.00 0.77 C ATOM 0 H ILE A 28 -12.886 -0.208 5.524 1.00 0.57 H new ATOM 0 HA ILE A 28 -14.072 -2.163 7.479 1.00 0.58 H new ATOM 0 HB ILE A 28 -12.734 0.582 7.698 1.00 0.57 H new ATOM 0 HG12 ILE A 28 -11.710 -2.220 8.423 1.00 0.68 H new ATOM 0 HG13 ILE A 28 -11.254 -1.355 6.969 1.00 0.68 H new ATOM 0 HG21 ILE A 28 -12.593 0.170 10.112 1.00 0.61 H new ATOM 0 HG22 ILE A 28 -14.281 0.239 9.552 1.00 0.61 H new ATOM 0 HG23 ILE A 28 -13.526 -1.332 9.912 1.00 0.61 H new ATOM 0 HD11 ILE A 28 -9.543 -1.059 8.737 1.00 0.77 H new ATOM 0 HD12 ILE A 28 -10.314 0.497 8.349 1.00 0.77 H new ATOM 0 HD13 ILE A 28 -10.777 -0.381 9.826 1.00 0.77 H new ATOM 420 N ASP A 29 -15.250 0.854 7.445 1.00 1.01 N ATOM 421 CA ASP A 29 -16.520 1.634 7.555 1.00 1.18 C ATOM 422 C ASP A 29 -16.754 2.390 6.262 1.00 1.33 C ATOM 423 O ASP A 29 -17.631 3.217 6.178 1.00 2.10 O ATOM 424 CB ASP A 29 -16.382 2.650 8.671 1.00 1.03 C ATOM 425 CG ASP A 29 -17.726 3.338 8.912 1.00 1.72 C ATOM 426 OD1 ASP A 29 -18.696 2.932 8.294 1.00 2.40 O ATOM 427 OD2 ASP A 29 -17.763 4.262 9.708 1.00 2.26 O ATOM 0 H ASP A 29 -14.399 1.411 7.525 1.00 1.01 H new ATOM 0 HA ASP A 29 -17.347 0.953 7.755 1.00 1.18 H new ATOM 0 HB2 ASP A 29 -16.046 2.158 9.584 1.00 1.03 H new ATOM 0 HB3 ASP A 29 -15.625 3.390 8.410 1.00 1.03 H new ATOM 432 N ASP A 30 -15.945 2.102 5.288 1.00 1.29 N ATOM 433 CA ASP A 30 -15.996 2.748 3.935 1.00 1.39 C ATOM 434 C ASP A 30 -15.102 3.992 3.921 1.00 1.13 C ATOM 435 O ASP A 30 -14.580 4.345 2.881 1.00 1.20 O ATOM 436 CB ASP A 30 -17.415 3.141 3.508 1.00 1.64 C ATOM 437 CG ASP A 30 -18.280 1.886 3.372 1.00 1.90 C ATOM 438 OD1 ASP A 30 -17.715 0.806 3.317 1.00 2.09 O ATOM 439 OD2 ASP A 30 -19.490 2.027 3.327 1.00 2.55 O ATOM 0 H ASP A 30 -15.205 1.405 5.374 1.00 1.29 H new ATOM 0 HA ASP A 30 -15.638 2.007 3.221 1.00 1.39 H new ATOM 0 HB2 ASP A 30 -17.852 3.817 4.243 1.00 1.64 H new ATOM 0 HB3 ASP A 30 -17.384 3.677 2.560 1.00 1.64 H new ATOM 444 N ASN A 31 -14.873 4.641 5.052 1.00 0.91 N ATOM 445 CA ASN A 31 -13.962 5.819 5.039 1.00 0.77 C ATOM 446 C ASN A 31 -12.597 5.426 5.618 1.00 0.58 C ATOM 447 O ASN A 31 -11.653 6.195 5.579 1.00 0.53 O ATOM 448 CB ASN A 31 -14.593 6.957 5.849 1.00 0.86 C ATOM 449 CG ASN A 31 -14.536 6.623 7.333 1.00 1.29 C ATOM 450 OD1 ASN A 31 -14.346 5.485 7.694 1.00 2.10 O ATOM 451 ND2 ASN A 31 -14.696 7.572 8.213 1.00 1.60 N ATOM 0 H ASN A 31 -15.274 4.403 5.959 1.00 0.91 H new ATOM 0 HA ASN A 31 -13.812 6.160 4.015 1.00 0.77 H new ATOM 0 HB2 ASN A 31 -14.064 7.890 5.656 1.00 0.86 H new ATOM 0 HB3 ASN A 31 -15.627 7.107 5.539 1.00 0.86 H new ATOM 0 HD21 ASN A 31 -14.661 7.355 9.209 1.00 1.60 H new ATOM 0 HD22 ASN A 31 -14.856 8.531 7.905 1.00 1.60 H new ATOM 458 N PHE A 32 -12.470 4.202 6.078 1.00 0.56 N ATOM 459 CA PHE A 32 -11.148 3.704 6.567 1.00 0.45 C ATOM 460 C PHE A 32 -10.744 2.507 5.700 1.00 0.45 C ATOM 461 O PHE A 32 -11.572 1.683 5.363 1.00 0.52 O ATOM 462 CB PHE A 32 -11.213 3.256 8.038 1.00 0.48 C ATOM 463 CG PHE A 32 -11.516 4.402 8.981 1.00 0.54 C ATOM 464 CD1 PHE A 32 -10.499 5.282 9.379 1.00 1.09 C ATOM 465 CD2 PHE A 32 -12.803 4.548 9.503 1.00 1.52 C ATOM 466 CE1 PHE A 32 -10.783 6.310 10.290 1.00 1.13 C ATOM 467 CE2 PHE A 32 -13.087 5.579 10.406 1.00 1.60 C ATOM 468 CZ PHE A 32 -12.076 6.460 10.799 1.00 0.80 C ATOM 0 H PHE A 32 -13.231 3.525 6.135 1.00 0.56 H new ATOM 0 HA PHE A 32 -10.422 4.514 6.498 1.00 0.45 H new ATOM 0 HB2 PHE A 32 -11.979 2.488 8.147 1.00 0.48 H new ATOM 0 HB3 PHE A 32 -10.263 2.801 8.318 1.00 0.48 H new ATOM 0 HD1 PHE A 32 -9.500 5.168 8.985 1.00 1.09 H new ATOM 0 HD2 PHE A 32 -13.583 3.862 9.208 1.00 1.52 H new ATOM 0 HE1 PHE A 32 -10.001 6.987 10.599 1.00 1.13 H new ATOM 0 HE2 PHE A 32 -14.087 5.694 10.799 1.00 1.60 H new ATOM 0 HZ PHE A 32 -12.294 7.256 11.496 1.00 0.80 H new ATOM 478 N VAL A 33 -9.492 2.392 5.354 1.00 0.40 N ATOM 479 CA VAL A 33 -9.041 1.228 4.527 1.00 0.42 C ATOM 480 C VAL A 33 -7.812 0.594 5.180 1.00 0.39 C ATOM 481 O VAL A 33 -7.101 1.248 5.916 1.00 0.36 O ATOM 482 CB VAL A 33 -8.697 1.693 3.113 1.00 0.44 C ATOM 483 CG1 VAL A 33 -9.900 2.415 2.504 1.00 0.49 C ATOM 484 CG2 VAL A 33 -7.496 2.640 3.159 1.00 0.42 C ATOM 0 H VAL A 33 -8.757 3.053 5.607 1.00 0.40 H new ATOM 0 HA VAL A 33 -9.843 0.492 4.468 1.00 0.42 H new ATOM 0 HB VAL A 33 -8.447 0.827 2.499 1.00 0.44 H new ATOM 0 HG11 VAL A 33 -9.653 2.746 1.495 1.00 0.49 H new ATOM 0 HG12 VAL A 33 -10.751 1.735 2.465 1.00 0.49 H new ATOM 0 HG13 VAL A 33 -10.154 3.279 3.118 1.00 0.49 H new ATOM 0 HG21 VAL A 33 -7.254 2.970 2.149 1.00 0.42 H new ATOM 0 HG22 VAL A 33 -7.739 3.506 3.775 1.00 0.42 H new ATOM 0 HG23 VAL A 33 -6.639 2.120 3.586 1.00 0.42 H new ATOM 494 N LEU A 34 -7.527 -0.651 4.874 1.00 0.43 N ATOM 495 CA LEU A 34 -6.283 -1.282 5.454 1.00 0.44 C ATOM 496 C LEU A 34 -5.218 -1.328 4.367 1.00 0.43 C ATOM 497 O LEU A 34 -5.507 -1.701 3.247 1.00 0.47 O ATOM 498 CB LEU A 34 -6.532 -2.701 5.978 1.00 0.55 C ATOM 499 CG LEU A 34 -5.331 -3.178 6.825 1.00 0.62 C ATOM 500 CD1 LEU A 34 -5.801 -4.210 7.855 1.00 0.93 C ATOM 501 CD2 LEU A 34 -4.255 -3.831 5.935 1.00 0.73 C ATOM 0 H LEU A 34 -8.083 -1.250 4.264 1.00 0.43 H new ATOM 0 HA LEU A 34 -5.962 -0.678 6.303 1.00 0.44 H new ATOM 0 HB2 LEU A 34 -7.441 -2.720 6.580 1.00 0.55 H new ATOM 0 HB3 LEU A 34 -6.690 -3.382 5.142 1.00 0.55 H new ATOM 0 HG LEU A 34 -4.905 -2.308 7.325 1.00 0.62 H new ATOM 0 HD11 LEU A 34 -4.951 -4.544 8.450 1.00 0.93 H new ATOM 0 HD12 LEU A 34 -6.546 -3.758 8.509 1.00 0.93 H new ATOM 0 HD13 LEU A 34 -6.241 -5.064 7.340 1.00 0.93 H new ATOM 0 HD21 LEU A 34 -3.420 -4.158 6.554 1.00 0.73 H new ATOM 0 HD22 LEU A 34 -4.683 -4.690 5.419 1.00 0.73 H new ATOM 0 HD23 LEU A 34 -3.901 -3.107 5.202 1.00 0.73 H new ATOM 513 N VAL A 35 -3.987 -0.978 4.675 1.00 0.42 N ATOM 514 CA VAL A 35 -2.931 -1.043 3.623 1.00 0.43 C ATOM 515 C VAL A 35 -1.755 -1.874 4.118 1.00 0.44 C ATOM 516 O VAL A 35 -1.446 -1.911 5.291 1.00 0.46 O ATOM 517 CB VAL A 35 -2.448 0.369 3.282 1.00 0.47 C ATOM 518 CG1 VAL A 35 -3.642 1.235 2.880 1.00 0.46 C ATOM 519 CG2 VAL A 35 -1.748 0.994 4.492 1.00 0.52 C ATOM 0 H VAL A 35 -3.677 -0.657 5.592 1.00 0.42 H new ATOM 0 HA VAL A 35 -3.351 -1.507 2.731 1.00 0.43 H new ATOM 0 HB VAL A 35 -1.742 0.311 2.454 1.00 0.47 H new ATOM 0 HG11 VAL A 35 -3.297 2.240 2.637 1.00 0.46 H new ATOM 0 HG12 VAL A 35 -4.131 0.799 2.009 1.00 0.46 H new ATOM 0 HG13 VAL A 35 -4.351 1.284 3.707 1.00 0.46 H new ATOM 0 HG21 VAL A 35 -1.409 1.998 4.238 1.00 0.52 H new ATOM 0 HG22 VAL A 35 -2.445 1.048 5.328 1.00 0.52 H new ATOM 0 HG23 VAL A 35 -0.891 0.382 4.773 1.00 0.52 H new ATOM 529 N THR A 36 -1.092 -2.531 3.204 1.00 0.45 N ATOM 530 CA THR A 36 0.084 -3.356 3.588 1.00 0.48 C ATOM 531 C THR A 36 1.184 -3.279 2.529 1.00 0.48 C ATOM 532 O THR A 36 0.928 -3.089 1.357 1.00 0.48 O ATOM 533 CB THR A 36 -0.368 -4.809 3.744 1.00 0.56 C ATOM 534 OG1 THR A 36 0.628 -5.544 4.442 1.00 0.63 O ATOM 535 CG2 THR A 36 -0.600 -5.427 2.363 1.00 0.60 C ATOM 0 H THR A 36 -1.316 -2.530 2.209 1.00 0.45 H new ATOM 0 HA THR A 36 0.489 -2.975 4.526 1.00 0.48 H new ATOM 0 HB THR A 36 -1.299 -4.841 4.310 1.00 0.56 H new ATOM 0 HG1 THR A 36 0.757 -5.156 5.333 1.00 0.63 H new ATOM 0 HG21 THR A 36 -0.922 -6.462 2.477 1.00 0.60 H new ATOM 0 HG22 THR A 36 -1.370 -4.863 1.837 1.00 0.60 H new ATOM 0 HG23 THR A 36 0.327 -5.396 1.790 1.00 0.60 H new ATOM 543 N GLY A 37 2.400 -3.492 2.938 1.00 0.52 N ATOM 544 CA GLY A 37 3.537 -3.512 1.976 1.00 0.55 C ATOM 545 C GLY A 37 4.646 -4.335 2.625 1.00 0.70 C ATOM 546 O GLY A 37 4.645 -4.500 3.825 1.00 0.84 O ATOM 0 H GLY A 37 2.660 -3.655 3.911 1.00 0.52 H new ATOM 0 HA2 GLY A 37 3.233 -3.953 1.027 1.00 0.55 H new ATOM 0 HA3 GLY A 37 3.881 -2.500 1.762 1.00 0.55 H new ATOM 550 N PRO A 38 5.598 -4.853 1.902 1.00 0.74 N ATOM 551 CA PRO A 38 6.669 -5.615 2.569 1.00 0.93 C ATOM 552 C PRO A 38 7.415 -4.717 3.551 1.00 0.99 C ATOM 553 O PRO A 38 7.985 -3.713 3.173 1.00 0.94 O ATOM 554 CB PRO A 38 7.598 -6.054 1.437 1.00 0.94 C ATOM 555 CG PRO A 38 6.842 -5.833 0.170 1.00 0.82 C ATOM 556 CD PRO A 38 5.761 -4.792 0.454 1.00 0.69 C ATOM 0 HA PRO A 38 6.286 -6.462 3.138 1.00 0.93 H new ATOM 0 HB2 PRO A 38 8.522 -5.476 1.445 1.00 0.94 H new ATOM 0 HB3 PRO A 38 7.877 -7.102 1.546 1.00 0.94 H new ATOM 0 HG2 PRO A 38 7.510 -5.487 -0.619 1.00 0.82 H new ATOM 0 HG3 PRO A 38 6.395 -6.765 -0.177 1.00 0.82 H new ATOM 0 HD2 PRO A 38 6.066 -3.798 0.126 1.00 0.69 H new ATOM 0 HD3 PRO A 38 4.832 -5.028 -0.064 1.00 0.69 H new ATOM 564 N LYS A 39 7.451 -5.076 4.797 1.00 1.20 N ATOM 565 CA LYS A 39 8.200 -4.248 5.774 1.00 1.37 C ATOM 566 C LYS A 39 9.660 -4.166 5.327 1.00 1.39 C ATOM 567 O LYS A 39 10.336 -3.171 5.486 1.00 1.45 O ATOM 568 CB LYS A 39 8.118 -4.886 7.164 1.00 1.66 C ATOM 569 CG LYS A 39 8.778 -3.962 8.191 1.00 2.17 C ATOM 570 CD LYS A 39 8.753 -4.623 9.570 1.00 2.45 C ATOM 571 CE LYS A 39 9.278 -3.640 10.619 1.00 3.15 C ATOM 572 NZ LYS A 39 8.135 -2.893 11.217 1.00 3.44 N ATOM 0 H LYS A 39 6.996 -5.904 5.182 1.00 1.20 H new ATOM 0 HA LYS A 39 7.769 -3.248 5.821 1.00 1.37 H new ATOM 0 HB2 LYS A 39 7.077 -5.062 7.434 1.00 1.66 H new ATOM 0 HB3 LYS A 39 8.615 -5.856 7.160 1.00 1.66 H new ATOM 0 HG2 LYS A 39 9.806 -3.751 7.897 1.00 2.17 H new ATOM 0 HG3 LYS A 39 8.254 -3.007 8.225 1.00 2.17 H new ATOM 0 HD2 LYS A 39 7.737 -4.929 9.820 1.00 2.45 H new ATOM 0 HD3 LYS A 39 9.365 -5.525 9.563 1.00 2.45 H new ATOM 0 HE2 LYS A 39 9.822 -4.177 11.396 1.00 3.15 H new ATOM 0 HE3 LYS A 39 9.981 -2.944 10.161 1.00 3.15 H new ATOM 0 HZ1 LYS A 39 8.492 -2.225 11.930 1.00 3.44 H new ATOM 0 HZ2 LYS A 39 7.635 -2.369 10.471 1.00 3.44 H new ATOM 0 HZ3 LYS A 39 7.480 -3.563 11.668 1.00 3.44 H new ATOM 586 N ASP A 40 10.142 -5.246 4.789 1.00 1.42 N ATOM 587 CA ASP A 40 11.557 -5.307 4.334 1.00 1.48 C ATOM 588 C ASP A 40 11.854 -4.302 3.215 1.00 1.35 C ATOM 589 O ASP A 40 12.927 -3.734 3.163 1.00 1.42 O ATOM 590 CB ASP A 40 11.858 -6.721 3.832 1.00 1.59 C ATOM 591 CG ASP A 40 11.795 -7.701 5.005 1.00 1.79 C ATOM 592 OD1 ASP A 40 11.768 -7.240 6.135 1.00 2.01 O ATOM 593 OD2 ASP A 40 11.778 -8.894 4.755 1.00 2.27 O ATOM 0 H ASP A 40 9.609 -6.103 4.642 1.00 1.42 H new ATOM 0 HA ASP A 40 12.190 -5.050 5.183 1.00 1.48 H new ATOM 0 HB2 ASP A 40 11.138 -7.008 3.065 1.00 1.59 H new ATOM 0 HB3 ASP A 40 12.845 -6.752 3.370 1.00 1.59 H new ATOM 598 N ILE A 41 10.943 -4.107 2.292 1.00 1.20 N ATOM 599 CA ILE A 41 11.240 -3.173 1.161 1.00 1.13 C ATOM 600 C ILE A 41 10.673 -1.772 1.429 1.00 1.03 C ATOM 601 O ILE A 41 11.386 -0.868 1.816 1.00 1.27 O ATOM 602 CB ILE A 41 10.587 -3.754 -0.091 1.00 1.10 C ATOM 603 CG1 ILE A 41 11.129 -5.174 -0.324 1.00 1.29 C ATOM 604 CG2 ILE A 41 10.941 -2.880 -1.298 1.00 1.11 C ATOM 605 CD1 ILE A 41 10.358 -5.855 -1.458 1.00 2.05 C ATOM 0 H ILE A 41 10.022 -4.546 2.272 1.00 1.20 H new ATOM 0 HA ILE A 41 12.319 -3.073 1.041 1.00 1.13 H new ATOM 0 HB ILE A 41 9.505 -3.784 0.037 1.00 1.10 H new ATOM 0 HG12 ILE A 41 12.190 -5.130 -0.571 1.00 1.29 H new ATOM 0 HG13 ILE A 41 11.038 -5.760 0.590 1.00 1.29 H new ATOM 0 HG21 ILE A 41 10.477 -3.292 -2.194 1.00 1.11 H new ATOM 0 HG22 ILE A 41 10.576 -1.866 -1.133 1.00 1.11 H new ATOM 0 HG23 ILE A 41 12.023 -2.859 -1.427 1.00 1.11 H new ATOM 0 HD11 ILE A 41 10.751 -6.860 -1.613 1.00 2.05 H new ATOM 0 HD12 ILE A 41 9.302 -5.915 -1.195 1.00 2.05 H new ATOM 0 HD13 ILE A 41 10.471 -5.276 -2.374 1.00 2.05 H new ATOM 617 N THR A 42 9.399 -1.576 1.184 1.00 0.78 N ATOM 618 CA THR A 42 8.774 -0.232 1.372 1.00 0.75 C ATOM 619 C THR A 42 8.837 0.202 2.831 1.00 0.90 C ATOM 620 O THR A 42 9.026 1.363 3.135 1.00 1.07 O ATOM 621 CB THR A 42 7.310 -0.326 0.941 1.00 0.56 C ATOM 622 OG1 THR A 42 7.244 -0.815 -0.391 1.00 1.03 O ATOM 623 CG2 THR A 42 6.647 1.050 1.020 1.00 1.10 C ATOM 0 H THR A 42 8.760 -2.301 0.858 1.00 0.78 H new ATOM 0 HA THR A 42 9.315 0.502 0.775 1.00 0.75 H new ATOM 0 HB THR A 42 6.783 -1.007 1.608 1.00 0.56 H new ATOM 0 HG1 THR A 42 6.307 -0.878 -0.670 1.00 1.03 H new ATOM 0 HG21 THR A 42 5.605 0.970 0.711 1.00 1.10 H new ATOM 0 HG22 THR A 42 6.694 1.418 2.045 1.00 1.10 H new ATOM 0 HG23 THR A 42 7.169 1.744 0.361 1.00 1.10 H new ATOM 631 N GLY A 43 8.679 -0.720 3.728 1.00 0.93 N ATOM 632 CA GLY A 43 8.724 -0.381 5.175 1.00 1.12 C ATOM 633 C GLY A 43 7.317 -0.281 5.772 1.00 0.97 C ATOM 634 O GLY A 43 7.185 -0.196 6.977 1.00 1.10 O ATOM 0 H GLY A 43 8.519 -1.706 3.522 1.00 0.93 H new ATOM 0 HA2 GLY A 43 9.294 -1.140 5.710 1.00 1.12 H new ATOM 0 HA3 GLY A 43 9.247 0.566 5.312 1.00 1.12 H new ATOM 638 N VAL A 44 6.252 -0.341 4.994 1.00 0.78 N ATOM 639 CA VAL A 44 4.916 -0.301 5.633 1.00 0.70 C ATOM 640 C VAL A 44 4.528 -1.753 5.882 1.00 0.72 C ATOM 641 O VAL A 44 4.628 -2.566 4.997 1.00 0.80 O ATOM 642 CB VAL A 44 3.923 0.367 4.680 1.00 0.61 C ATOM 643 CG1 VAL A 44 4.336 1.821 4.455 1.00 0.79 C ATOM 644 CG2 VAL A 44 3.910 -0.366 3.338 1.00 1.06 C ATOM 0 H VAL A 44 6.260 -0.414 3.977 1.00 0.78 H new ATOM 0 HA VAL A 44 4.918 0.267 6.563 1.00 0.70 H new ATOM 0 HB VAL A 44 2.926 0.328 5.120 1.00 0.61 H new ATOM 0 HG11 VAL A 44 3.630 2.299 3.776 1.00 0.79 H new ATOM 0 HG12 VAL A 44 4.338 2.350 5.408 1.00 0.79 H new ATOM 0 HG13 VAL A 44 5.335 1.852 4.020 1.00 0.79 H new ATOM 0 HG21 VAL A 44 3.200 0.117 2.666 1.00 1.06 H new ATOM 0 HG22 VAL A 44 4.906 -0.335 2.897 1.00 1.06 H new ATOM 0 HG23 VAL A 44 3.614 -1.404 3.493 1.00 1.06 H new ATOM 654 N LYS A 45 4.097 -2.098 7.063 1.00 0.80 N ATOM 655 CA LYS A 45 3.729 -3.528 7.299 1.00 0.91 C ATOM 656 C LYS A 45 2.249 -3.723 7.027 1.00 0.78 C ATOM 657 O LYS A 45 1.842 -4.224 5.995 1.00 0.83 O ATOM 658 CB LYS A 45 4.038 -3.907 8.752 1.00 1.14 C ATOM 659 CG LYS A 45 3.810 -5.408 8.949 1.00 1.87 C ATOM 660 CD LYS A 45 4.056 -5.777 10.413 1.00 2.04 C ATOM 661 CE LYS A 45 3.974 -7.295 10.576 1.00 2.84 C ATOM 662 NZ LYS A 45 3.070 -7.624 11.714 1.00 3.49 N ATOM 0 H LYS A 45 3.984 -1.471 7.860 1.00 0.80 H new ATOM 0 HA LYS A 45 4.308 -4.165 6.629 1.00 0.91 H new ATOM 0 HB2 LYS A 45 5.069 -3.650 8.994 1.00 1.14 H new ATOM 0 HB3 LYS A 45 3.401 -3.340 9.430 1.00 1.14 H new ATOM 0 HG2 LYS A 45 2.792 -5.672 8.663 1.00 1.87 H new ATOM 0 HG3 LYS A 45 4.480 -5.976 8.303 1.00 1.87 H new ATOM 0 HD2 LYS A 45 5.035 -5.419 10.730 1.00 2.04 H new ATOM 0 HD3 LYS A 45 3.317 -5.291 11.051 1.00 2.04 H new ATOM 0 HE2 LYS A 45 3.602 -7.750 9.658 1.00 2.84 H new ATOM 0 HE3 LYS A 45 4.967 -7.706 10.756 1.00 2.84 H new ATOM 0 HZ1 LYS A 45 3.014 -8.656 11.825 1.00 3.49 H new ATOM 0 HZ2 LYS A 45 3.444 -7.201 12.588 1.00 3.49 H new ATOM 0 HZ3 LYS A 45 2.121 -7.244 11.524 1.00 3.49 H new ATOM 676 N ARG A 46 1.451 -3.274 7.946 1.00 0.67 N ATOM 677 CA ARG A 46 -0.017 -3.350 7.799 1.00 0.59 C ATOM 678 C ARG A 46 -0.573 -2.160 8.559 1.00 0.54 C ATOM 679 O ARG A 46 -0.264 -2.009 9.724 1.00 0.59 O ATOM 680 CB ARG A 46 -0.499 -4.615 8.494 1.00 0.62 C ATOM 681 CG ARG A 46 -1.980 -4.833 8.224 1.00 0.62 C ATOM 682 CD ARG A 46 -2.440 -6.030 9.042 1.00 0.73 C ATOM 683 NE ARG A 46 -3.834 -6.400 8.675 1.00 1.39 N ATOM 684 CZ ARG A 46 -4.058 -7.116 7.607 1.00 1.89 C ATOM 685 NH1 ARG A 46 -3.061 -7.509 6.863 1.00 2.10 N ATOM 686 NH2 ARG A 46 -5.281 -7.439 7.283 1.00 2.78 N ATOM 0 H ARG A 46 1.767 -2.846 8.816 1.00 0.67 H new ATOM 0 HA ARG A 46 -0.324 -3.354 6.753 1.00 0.59 H new ATOM 0 HB2 ARG A 46 0.072 -5.473 8.140 1.00 0.62 H new ATOM 0 HB3 ARG A 46 -0.325 -4.537 9.567 1.00 0.62 H new ATOM 0 HG2 ARG A 46 -2.551 -3.945 8.495 1.00 0.62 H new ATOM 0 HG3 ARG A 46 -2.151 -5.010 7.162 1.00 0.62 H new ATOM 0 HD2 ARG A 46 -1.774 -6.875 8.868 1.00 0.73 H new ATOM 0 HD3 ARG A 46 -2.386 -5.795 10.105 1.00 0.73 H new ATOM 0 HE ARG A 46 -4.614 -6.094 9.258 1.00 1.39 H new ATOM 0 HH11 ARG A 46 -2.106 -7.257 7.116 1.00 2.10 H new ATOM 0 HH12 ARG A 46 -3.237 -8.069 6.029 1.00 2.10 H new ATOM 0 HH21 ARG A 46 -6.061 -7.132 7.864 1.00 2.78 H new ATOM 0 HH22 ARG A 46 -5.457 -7.999 6.448 1.00 2.78 H new ATOM 700 N ARG A 47 -1.374 -1.312 7.991 1.00 0.50 N ATOM 701 CA ARG A 47 -1.878 -0.189 8.811 1.00 0.51 C ATOM 702 C ARG A 47 -3.198 0.360 8.239 1.00 0.43 C ATOM 703 O ARG A 47 -3.588 0.033 7.137 1.00 0.40 O ATOM 704 CB ARG A 47 -0.790 0.884 8.928 1.00 0.65 C ATOM 705 CG ARG A 47 -0.401 1.395 7.542 1.00 0.69 C ATOM 706 CD ARG A 47 0.823 2.304 7.662 1.00 0.88 C ATOM 707 NE ARG A 47 0.519 3.425 8.595 1.00 1.51 N ATOM 708 CZ ARG A 47 1.472 4.224 8.989 1.00 2.07 C ATOM 709 NH1 ARG A 47 2.694 4.039 8.568 1.00 2.26 N ATOM 710 NH2 ARG A 47 1.205 5.208 9.804 1.00 3.10 N ATOM 0 H ARG A 47 -1.694 -1.345 7.023 1.00 0.50 H new ATOM 0 HA ARG A 47 -2.107 -0.541 9.817 1.00 0.51 H new ATOM 0 HB2 ARG A 47 -1.149 1.711 9.541 1.00 0.65 H new ATOM 0 HB3 ARG A 47 0.085 0.472 9.430 1.00 0.65 H new ATOM 0 HG2 ARG A 47 -0.182 0.556 6.881 1.00 0.69 H new ATOM 0 HG3 ARG A 47 -1.232 1.942 7.097 1.00 0.69 H new ATOM 0 HD2 ARG A 47 1.678 1.735 8.027 1.00 0.88 H new ATOM 0 HD3 ARG A 47 1.096 2.696 6.682 1.00 0.88 H new ATOM 0 HE ARG A 47 -0.435 3.568 8.926 1.00 1.51 H new ATOM 0 HH11 ARG A 47 2.903 3.270 7.931 1.00 2.26 H new ATOM 0 HH12 ARG A 47 3.439 4.663 8.876 1.00 2.26 H new ATOM 0 HH21 ARG A 47 0.251 5.353 10.133 1.00 3.10 H new ATOM 0 HH22 ARG A 47 1.951 5.832 10.112 1.00 3.10 H new ATOM 724 N ARG A 48 -3.909 1.150 9.006 1.00 0.46 N ATOM 725 CA ARG A 48 -5.231 1.686 8.538 1.00 0.40 C ATOM 726 C ARG A 48 -5.131 3.189 8.186 1.00 0.40 C ATOM 727 O ARG A 48 -4.566 3.962 8.935 1.00 0.49 O ATOM 728 CB ARG A 48 -6.207 1.501 9.702 1.00 0.44 C ATOM 729 CG ARG A 48 -7.638 1.828 9.288 1.00 1.30 C ATOM 730 CD ARG A 48 -8.526 1.746 10.536 1.00 1.32 C ATOM 731 NE ARG A 48 -8.468 0.367 11.097 1.00 1.71 N ATOM 732 CZ ARG A 48 -9.338 -0.008 11.995 1.00 2.17 C ATOM 733 NH1 ARG A 48 -10.262 0.823 12.395 1.00 2.17 N ATOM 734 NH2 ARG A 48 -9.286 -1.214 12.491 1.00 3.00 N ATOM 0 H ARG A 48 -3.631 1.449 9.941 1.00 0.46 H new ATOM 0 HA ARG A 48 -5.558 1.161 7.640 1.00 0.40 H new ATOM 0 HB2 ARG A 48 -6.157 0.473 10.061 1.00 0.44 H new ATOM 0 HB3 ARG A 48 -5.911 2.143 10.532 1.00 0.44 H new ATOM 0 HG2 ARG A 48 -7.689 2.825 8.849 1.00 1.30 H new ATOM 0 HG3 ARG A 48 -7.984 1.127 8.528 1.00 1.30 H new ATOM 0 HD2 ARG A 48 -8.192 2.468 11.281 1.00 1.32 H new ATOM 0 HD3 ARG A 48 -9.554 2.004 10.281 1.00 1.32 H new ATOM 0 HE ARG A 48 -7.749 -0.283 10.780 1.00 1.71 H new ATOM 0 HH11 ARG A 48 -10.304 1.765 12.006 1.00 2.17 H new ATOM 0 HH12 ARG A 48 -10.942 0.530 13.097 1.00 2.17 H new ATOM 0 HH21 ARG A 48 -8.565 -1.864 12.177 1.00 3.00 H new ATOM 0 HH22 ARG A 48 -9.966 -1.507 13.193 1.00 3.00 H new ATOM 748 N VAL A 49 -5.712 3.617 7.072 1.00 0.35 N ATOM 749 CA VAL A 49 -5.695 5.078 6.689 1.00 0.41 C ATOM 750 C VAL A 49 -7.125 5.596 6.460 1.00 0.38 C ATOM 751 O VAL A 49 -7.928 4.964 5.803 1.00 0.37 O ATOM 752 CB VAL A 49 -4.881 5.314 5.409 1.00 0.50 C ATOM 753 CG1 VAL A 49 -4.900 6.807 5.072 1.00 1.63 C ATOM 754 CG2 VAL A 49 -3.424 4.913 5.629 1.00 1.04 C ATOM 0 H VAL A 49 -6.198 3.011 6.411 1.00 0.35 H new ATOM 0 HA VAL A 49 -5.230 5.618 7.514 1.00 0.41 H new ATOM 0 HB VAL A 49 -5.317 4.721 4.605 1.00 0.50 H new ATOM 0 HG11 VAL A 49 -4.324 6.982 4.164 1.00 1.63 H new ATOM 0 HG12 VAL A 49 -5.929 7.132 4.917 1.00 1.63 H new ATOM 0 HG13 VAL A 49 -4.461 7.371 5.895 1.00 1.63 H new ATOM 0 HG21 VAL A 49 -2.857 5.085 4.714 1.00 1.04 H new ATOM 0 HG22 VAL A 49 -3.000 5.510 6.436 1.00 1.04 H new ATOM 0 HG23 VAL A 49 -3.373 3.857 5.894 1.00 1.04 H new ATOM 764 N ASN A 50 -7.425 6.766 6.957 1.00 0.39 N ATOM 765 CA ASN A 50 -8.771 7.389 6.743 1.00 0.42 C ATOM 766 C ASN A 50 -8.788 8.123 5.387 1.00 0.42 C ATOM 767 O ASN A 50 -7.761 8.342 4.777 1.00 0.39 O ATOM 768 CB ASN A 50 -9.054 8.388 7.860 1.00 0.48 C ATOM 769 CG ASN A 50 -10.495 8.890 7.739 1.00 1.38 C ATOM 770 OD1 ASN A 50 -10.731 9.999 7.309 1.00 2.28 O ATOM 771 ND2 ASN A 50 -11.475 8.112 8.106 1.00 1.90 N ATOM 0 H ASN A 50 -6.783 7.330 7.514 1.00 0.39 H new ATOM 0 HA ASN A 50 -9.534 6.611 6.747 1.00 0.42 H new ATOM 0 HB2 ASN A 50 -8.901 7.917 8.831 1.00 0.48 H new ATOM 0 HB3 ASN A 50 -8.359 9.225 7.799 1.00 0.48 H new ATOM 0 HD21 ASN A 50 -12.439 8.436 8.031 1.00 1.90 H new ATOM 0 HD22 ASN A 50 -11.277 7.179 8.468 1.00 1.90 H new ATOM 778 N ILE A 51 -9.948 8.512 4.924 1.00 0.51 N ATOM 779 CA ILE A 51 -10.053 9.246 3.614 1.00 0.56 C ATOM 780 C ILE A 51 -9.195 10.521 3.616 1.00 0.57 C ATOM 781 O ILE A 51 -8.789 10.989 2.571 1.00 0.59 O ATOM 782 CB ILE A 51 -11.495 9.683 3.334 1.00 0.73 C ATOM 783 CG1 ILE A 51 -12.408 8.462 3.227 1.00 0.81 C ATOM 784 CG2 ILE A 51 -11.521 10.470 2.015 1.00 0.81 C ATOM 785 CD1 ILE A 51 -13.867 8.922 3.090 1.00 1.41 C ATOM 0 H ILE A 51 -10.838 8.354 5.397 1.00 0.51 H new ATOM 0 HA ILE A 51 -9.706 8.550 2.850 1.00 0.56 H new ATOM 0 HB ILE A 51 -11.853 10.309 4.151 1.00 0.73 H new ATOM 0 HG12 ILE A 51 -12.124 7.857 2.366 1.00 0.81 H new ATOM 0 HG13 ILE A 51 -12.296 7.832 4.110 1.00 0.81 H new ATOM 0 HG21 ILE A 51 -12.541 10.788 1.801 1.00 0.81 H new ATOM 0 HG22 ILE A 51 -10.878 11.346 2.101 1.00 0.81 H new ATOM 0 HG23 ILE A 51 -11.162 9.835 1.205 1.00 0.81 H new ATOM 0 HD11 ILE A 51 -14.518 8.051 3.014 1.00 1.41 H new ATOM 0 HD12 ILE A 51 -14.147 9.509 3.965 1.00 1.41 H new ATOM 0 HD13 ILE A 51 -13.973 9.534 2.194 1.00 1.41 H new ATOM 797 N LEU A 52 -8.942 11.117 4.750 1.00 0.61 N ATOM 798 CA LEU A 52 -8.148 12.384 4.758 1.00 0.70 C ATOM 799 C LEU A 52 -6.793 12.163 4.089 1.00 0.64 C ATOM 800 O LEU A 52 -6.306 13.034 3.396 1.00 0.75 O ATOM 801 CB LEU A 52 -7.927 12.845 6.204 1.00 0.76 C ATOM 802 CG LEU A 52 -9.271 13.043 6.916 1.00 0.85 C ATOM 803 CD1 LEU A 52 -9.024 13.596 8.321 1.00 1.25 C ATOM 804 CD2 LEU A 52 -10.137 14.038 6.137 1.00 1.08 C ATOM 0 H LEU A 52 -9.247 10.786 5.665 1.00 0.61 H new ATOM 0 HA LEU A 52 -8.699 13.146 4.208 1.00 0.70 H new ATOM 0 HB2 LEU A 52 -7.330 12.107 6.740 1.00 0.76 H new ATOM 0 HB3 LEU A 52 -7.363 13.778 6.212 1.00 0.76 H new ATOM 0 HG LEU A 52 -9.785 12.084 6.975 1.00 0.85 H new ATOM 0 HD11 LEU A 52 -9.978 13.738 8.829 1.00 1.25 H new ATOM 0 HD12 LEU A 52 -8.412 12.893 8.886 1.00 1.25 H new ATOM 0 HD13 LEU A 52 -8.505 14.552 8.250 1.00 1.25 H new ATOM 0 HD21 LEU A 52 -11.089 14.172 6.651 1.00 1.08 H new ATOM 0 HD22 LEU A 52 -9.622 14.996 6.073 1.00 1.08 H new ATOM 0 HD23 LEU A 52 -10.317 13.655 5.133 1.00 1.08 H new ATOM 816 N HIS A 53 -6.202 11.004 4.237 1.00 0.52 N ATOM 817 CA HIS A 53 -4.905 10.750 3.539 1.00 0.55 C ATOM 818 C HIS A 53 -5.104 9.620 2.540 1.00 0.45 C ATOM 819 O HIS A 53 -4.849 8.473 2.846 1.00 0.50 O ATOM 820 CB HIS A 53 -3.872 10.306 4.584 1.00 0.70 C ATOM 821 CG HIS A 53 -3.630 11.427 5.556 1.00 0.84 C ATOM 822 ND1 HIS A 53 -2.974 12.595 5.192 1.00 1.50 N ATOM 823 CD2 HIS A 53 -3.953 11.576 6.883 1.00 1.35 C ATOM 824 CE1 HIS A 53 -2.925 13.389 6.278 1.00 1.35 C ATOM 825 NE2 HIS A 53 -3.507 12.814 7.332 1.00 1.20 N ATOM 0 H HIS A 53 -6.555 10.232 4.803 1.00 0.52 H new ATOM 0 HA HIS A 53 -4.565 11.650 3.026 1.00 0.55 H new ATOM 0 HB2 HIS A 53 -4.230 9.423 5.113 1.00 0.70 H new ATOM 0 HB3 HIS A 53 -2.939 10.028 4.094 1.00 0.70 H new ATOM 0 HD2 HIS A 53 -4.473 10.845 7.484 1.00 1.35 H new ATOM 0 HE1 HIS A 53 -2.471 14.369 6.294 1.00 1.35 H new ATOM 0 HE2 HIS A 53 -3.604 13.201 8.271 1.00 1.20 H new ATOM 834 N LEU A 54 -5.528 9.926 1.339 1.00 0.42 N ATOM 835 CA LEU A 54 -5.709 8.874 0.309 1.00 0.43 C ATOM 836 C LEU A 54 -4.907 9.255 -0.944 1.00 0.36 C ATOM 837 O LEU A 54 -5.091 10.326 -1.488 1.00 0.39 O ATOM 838 CB LEU A 54 -7.195 8.800 -0.029 1.00 0.59 C ATOM 839 CG LEU A 54 -7.459 7.620 -0.963 1.00 0.92 C ATOM 840 CD1 LEU A 54 -7.260 6.303 -0.207 1.00 1.56 C ATOM 841 CD2 LEU A 54 -8.900 7.694 -1.467 1.00 1.29 C ATOM 0 H LEU A 54 -5.757 10.871 1.032 1.00 0.42 H new ATOM 0 HA LEU A 54 -5.359 7.908 0.674 1.00 0.43 H new ATOM 0 HB2 LEU A 54 -7.779 8.689 0.884 1.00 0.59 H new ATOM 0 HB3 LEU A 54 -7.516 9.728 -0.502 1.00 0.59 H new ATOM 0 HG LEU A 54 -6.765 7.662 -1.803 1.00 0.92 H new ATOM 0 HD11 LEU A 54 -7.450 5.466 -0.879 1.00 1.56 H new ATOM 0 HD12 LEU A 54 -6.236 6.247 0.163 1.00 1.56 H new ATOM 0 HD13 LEU A 54 -7.952 6.258 0.634 1.00 1.56 H new ATOM 0 HD21 LEU A 54 -9.096 6.855 -2.134 1.00 1.29 H new ATOM 0 HD22 LEU A 54 -9.584 7.651 -0.620 1.00 1.29 H new ATOM 0 HD23 LEU A 54 -9.049 8.629 -2.007 1.00 1.29 H new ATOM 853 N GLU A 55 -4.075 8.384 -1.446 1.00 0.39 N ATOM 854 CA GLU A 55 -3.333 8.689 -2.710 1.00 0.38 C ATOM 855 C GLU A 55 -3.422 7.447 -3.607 1.00 0.43 C ATOM 856 O GLU A 55 -2.592 6.569 -3.524 1.00 0.50 O ATOM 857 CB GLU A 55 -1.873 9.025 -2.393 1.00 0.44 C ATOM 858 CG GLU A 55 -1.482 10.322 -3.105 1.00 0.85 C ATOM 859 CD GLU A 55 -2.195 11.503 -2.444 1.00 1.55 C ATOM 860 OE1 GLU A 55 -2.455 11.423 -1.254 1.00 2.20 O ATOM 861 OE2 GLU A 55 -2.467 12.469 -3.138 1.00 2.28 O ATOM 0 H GLU A 55 -3.874 7.471 -1.037 1.00 0.39 H new ATOM 0 HA GLU A 55 -3.767 9.551 -3.217 1.00 0.38 H new ATOM 0 HB2 GLU A 55 -1.739 9.134 -1.317 1.00 0.44 H new ATOM 0 HB3 GLU A 55 -1.223 8.211 -2.714 1.00 0.44 H new ATOM 0 HG2 GLU A 55 -0.402 10.463 -3.059 1.00 0.85 H new ATOM 0 HG3 GLU A 55 -1.751 10.265 -4.160 1.00 0.85 H new ATOM 868 N PRO A 56 -4.434 7.331 -4.429 1.00 0.46 N ATOM 869 CA PRO A 56 -4.611 6.136 -5.288 1.00 0.52 C ATOM 870 C PRO A 56 -3.953 6.232 -6.670 1.00 0.50 C ATOM 871 O PRO A 56 -3.869 7.286 -7.269 1.00 0.53 O ATOM 872 CB PRO A 56 -6.129 6.066 -5.440 1.00 0.66 C ATOM 873 CG PRO A 56 -6.610 7.484 -5.346 1.00 0.69 C ATOM 874 CD PRO A 56 -5.521 8.298 -4.638 1.00 0.56 C ATOM 0 HA PRO A 56 -4.138 5.262 -4.841 1.00 0.52 H new ATOM 0 HB2 PRO A 56 -6.407 5.620 -6.395 1.00 0.66 H new ATOM 0 HB3 PRO A 56 -6.573 5.449 -4.659 1.00 0.66 H new ATOM 0 HG2 PRO A 56 -6.805 7.888 -6.339 1.00 0.69 H new ATOM 0 HG3 PRO A 56 -7.547 7.534 -4.791 1.00 0.69 H new ATOM 0 HD2 PRO A 56 -5.194 9.141 -5.246 1.00 0.56 H new ATOM 0 HD3 PRO A 56 -5.879 8.707 -3.693 1.00 0.56 H new ATOM 882 N THR A 57 -3.515 5.107 -7.172 1.00 0.56 N ATOM 883 CA THR A 57 -2.877 5.051 -8.523 1.00 0.63 C ATOM 884 C THR A 57 -3.743 4.173 -9.416 1.00 0.66 C ATOM 885 O THR A 57 -4.596 3.456 -8.932 1.00 0.71 O ATOM 886 CB THR A 57 -1.487 4.426 -8.422 1.00 0.78 C ATOM 887 OG1 THR A 57 -1.615 3.041 -8.128 1.00 0.88 O ATOM 888 CG2 THR A 57 -0.680 5.120 -7.325 1.00 0.78 C ATOM 0 H THR A 57 -3.573 4.208 -6.694 1.00 0.56 H new ATOM 0 HA THR A 57 -2.786 6.058 -8.930 1.00 0.63 H new ATOM 0 HB THR A 57 -0.965 4.549 -9.371 1.00 0.78 H new ATOM 0 HG1 THR A 57 -1.791 2.925 -7.171 1.00 0.88 H new ATOM 0 HG21 THR A 57 0.310 4.668 -7.260 1.00 0.78 H new ATOM 0 HG22 THR A 57 -0.580 6.179 -7.562 1.00 0.78 H new ATOM 0 HG23 THR A 57 -1.193 5.008 -6.370 1.00 0.78 H new ATOM 896 N ASP A 58 -3.556 4.199 -10.711 1.00 0.71 N ATOM 897 CA ASP A 58 -4.420 3.332 -11.548 1.00 0.78 C ATOM 898 C ASP A 58 -4.010 1.909 -11.247 1.00 0.87 C ATOM 899 O ASP A 58 -2.841 1.604 -11.126 1.00 1.59 O ATOM 900 CB ASP A 58 -4.218 3.645 -13.026 1.00 0.88 C ATOM 901 CG ASP A 58 -4.720 5.057 -13.325 1.00 1.77 C ATOM 902 OD1 ASP A 58 -5.401 5.614 -12.480 1.00 2.57 O ATOM 903 OD2 ASP A 58 -4.417 5.558 -14.395 1.00 2.16 O ATOM 0 H ASP A 58 -2.866 4.764 -11.206 1.00 0.71 H new ATOM 0 HA ASP A 58 -5.475 3.494 -11.328 1.00 0.78 H new ATOM 0 HB2 ASP A 58 -3.162 3.561 -13.285 1.00 0.88 H new ATOM 0 HB3 ASP A 58 -4.755 2.920 -13.638 1.00 0.88 H new ATOM 908 N LYS A 59 -4.964 1.041 -11.095 1.00 0.69 N ATOM 909 CA LYS A 59 -4.636 -0.357 -10.759 1.00 0.63 C ATOM 910 C LYS A 59 -5.901 -1.226 -10.820 1.00 0.92 C ATOM 911 O LYS A 59 -6.970 -0.782 -11.186 1.00 1.56 O ATOM 912 CB LYS A 59 -4.015 -0.407 -9.369 1.00 0.62 C ATOM 913 CG LYS A 59 -3.137 -1.662 -9.222 1.00 1.23 C ATOM 914 CD LYS A 59 -1.675 -1.265 -8.965 1.00 1.26 C ATOM 915 CE LYS A 59 -0.999 -0.865 -10.280 1.00 2.14 C ATOM 916 NZ LYS A 59 -0.395 -2.071 -10.914 1.00 2.90 N ATOM 0 H LYS A 59 -5.959 1.244 -11.190 1.00 0.69 H new ATOM 0 HA LYS A 59 -3.920 -0.749 -11.482 1.00 0.63 H new ATOM 0 HB2 LYS A 59 -3.415 0.487 -9.199 1.00 0.62 H new ATOM 0 HB3 LYS A 59 -4.800 -0.413 -8.613 1.00 0.62 H new ATOM 0 HG2 LYS A 59 -3.504 -2.276 -8.400 1.00 1.23 H new ATOM 0 HG3 LYS A 59 -3.203 -2.268 -10.126 1.00 1.23 H new ATOM 0 HD2 LYS A 59 -1.634 -0.435 -8.259 1.00 1.26 H new ATOM 0 HD3 LYS A 59 -1.139 -2.098 -8.510 1.00 1.26 H new ATOM 0 HE2 LYS A 59 -1.727 -0.413 -10.953 1.00 2.14 H new ATOM 0 HE3 LYS A 59 -0.230 -0.115 -10.093 1.00 2.14 H new ATOM 0 HZ1 LYS A 59 0.581 -1.859 -11.203 1.00 2.90 H new ATOM 0 HZ2 LYS A 59 -0.392 -2.857 -10.233 1.00 2.90 H new ATOM 0 HZ3 LYS A 59 -0.952 -2.340 -11.750 1.00 2.90 H new ATOM 930 N LYS A 60 -5.758 -2.467 -10.460 1.00 0.91 N ATOM 931 CA LYS A 60 -6.881 -3.437 -10.466 1.00 1.21 C ATOM 932 C LYS A 60 -7.598 -3.321 -9.141 1.00 0.55 C ATOM 933 O LYS A 60 -7.039 -2.824 -8.183 1.00 1.43 O ATOM 934 CB LYS A 60 -6.326 -4.843 -10.500 1.00 2.34 C ATOM 935 CG LYS A 60 -5.383 -5.009 -11.675 1.00 2.82 C ATOM 936 CD LYS A 60 -6.114 -4.813 -13.010 1.00 3.96 C ATOM 937 CE LYS A 60 -5.185 -5.216 -14.157 1.00 4.45 C ATOM 938 NZ LYS A 60 -4.009 -4.302 -14.190 1.00 5.03 N ATOM 0 H LYS A 60 -4.871 -2.863 -10.149 1.00 0.91 H new ATOM 0 HA LYS A 60 -7.528 -3.238 -11.321 1.00 1.21 H new ATOM 0 HB2 LYS A 60 -5.799 -5.056 -9.570 1.00 2.34 H new ATOM 0 HB3 LYS A 60 -7.142 -5.562 -10.576 1.00 2.34 H new ATOM 0 HG2 LYS A 60 -4.569 -4.289 -11.595 1.00 2.82 H new ATOM 0 HG3 LYS A 60 -4.934 -6.002 -11.646 1.00 2.82 H new ATOM 0 HD2 LYS A 60 -7.022 -5.416 -13.033 1.00 3.96 H new ATOM 0 HD3 LYS A 60 -6.419 -3.773 -13.122 1.00 3.96 H new ATOM 0 HE2 LYS A 60 -4.854 -6.246 -14.026 1.00 4.45 H new ATOM 0 HE3 LYS A 60 -5.720 -5.171 -15.105 1.00 4.45 H new ATOM 0 HZ1 LYS A 60 -3.496 -4.428 -15.086 1.00 5.03 H new ATOM 0 HZ2 LYS A 60 -4.333 -3.317 -14.113 1.00 5.03 H new ATOM 0 HZ3 LYS A 60 -3.376 -4.522 -13.395 1.00 5.03 H new ATOM 952 N ILE A 61 -8.798 -3.827 -9.055 1.00 0.90 N ATOM 953 CA ILE A 61 -9.496 -3.790 -7.745 1.00 1.43 C ATOM 954 C ILE A 61 -10.082 -5.165 -7.369 1.00 0.99 C ATOM 955 O ILE A 61 -11.211 -5.506 -7.634 1.00 1.45 O ATOM 956 CB ILE A 61 -10.560 -2.666 -7.775 1.00 2.80 C ATOM 957 CG1 ILE A 61 -11.702 -2.964 -8.766 1.00 3.66 C ATOM 958 CG2 ILE A 61 -9.894 -1.354 -8.182 1.00 3.54 C ATOM 959 CD1 ILE A 61 -12.748 -1.847 -8.677 1.00 4.81 C ATOM 0 H ILE A 61 -9.315 -4.257 -9.822 1.00 0.90 H new ATOM 0 HA ILE A 61 -8.779 -3.561 -6.956 1.00 1.43 H new ATOM 0 HB ILE A 61 -10.990 -2.599 -6.775 1.00 2.80 H new ATOM 0 HG12 ILE A 61 -11.311 -3.033 -9.781 1.00 3.66 H new ATOM 0 HG13 ILE A 61 -12.159 -3.926 -8.535 1.00 3.66 H new ATOM 0 HG21 ILE A 61 -10.640 -0.559 -8.205 1.00 3.54 H new ATOM 0 HG22 ILE A 61 -9.116 -1.102 -7.461 1.00 3.54 H new ATOM 0 HG23 ILE A 61 -9.450 -1.463 -9.171 1.00 3.54 H new ATOM 0 HD11 ILE A 61 -13.559 -2.052 -9.376 1.00 4.81 H new ATOM 0 HD12 ILE A 61 -13.146 -1.801 -7.663 1.00 4.81 H new ATOM 0 HD13 ILE A 61 -12.284 -0.893 -8.929 1.00 4.81 H new ATOM 971 N ASP A 62 -9.266 -5.963 -6.743 1.00 1.05 N ATOM 972 CA ASP A 62 -9.728 -7.317 -6.341 1.00 0.82 C ATOM 973 C ASP A 62 -9.034 -7.859 -5.078 1.00 0.92 C ATOM 974 O ASP A 62 -7.995 -8.483 -5.143 1.00 1.22 O ATOM 975 CB ASP A 62 -9.501 -8.252 -7.524 1.00 1.33 C ATOM 976 CG ASP A 62 -8.017 -8.312 -7.900 1.00 1.56 C ATOM 977 OD1 ASP A 62 -7.204 -7.794 -7.153 1.00 2.06 O ATOM 978 OD2 ASP A 62 -7.724 -8.840 -8.959 1.00 2.14 O ATOM 0 H ASP A 62 -8.303 -5.737 -6.493 1.00 1.05 H new ATOM 0 HA ASP A 62 -10.784 -7.254 -6.079 1.00 0.82 H new ATOM 0 HB2 ASP A 62 -9.857 -9.252 -7.276 1.00 1.33 H new ATOM 0 HB3 ASP A 62 -10.083 -7.910 -8.380 1.00 1.33 H new ATOM 983 N ILE A 63 -9.622 -7.647 -3.915 1.00 0.75 N ATOM 984 CA ILE A 63 -9.026 -8.159 -2.640 1.00 0.87 C ATOM 985 C ILE A 63 -10.016 -9.082 -1.919 1.00 0.70 C ATOM 986 O ILE A 63 -11.212 -8.964 -2.092 1.00 0.66 O ATOM 987 CB ILE A 63 -8.746 -6.936 -1.759 1.00 1.06 C ATOM 988 CG1 ILE A 63 -10.073 -6.248 -1.378 1.00 0.94 C ATOM 989 CG2 ILE A 63 -7.874 -5.957 -2.516 1.00 1.72 C ATOM 990 CD1 ILE A 63 -9.819 -5.080 -0.423 1.00 1.64 C ATOM 0 H ILE A 63 -10.497 -7.136 -3.800 1.00 0.75 H new ATOM 0 HA ILE A 63 -8.118 -8.726 -2.844 1.00 0.87 H new ATOM 0 HB ILE A 63 -8.235 -7.259 -0.852 1.00 1.06 H new ATOM 0 HG12 ILE A 63 -10.573 -5.888 -2.277 1.00 0.94 H new ATOM 0 HG13 ILE A 63 -10.742 -6.970 -0.909 1.00 0.94 H new ATOM 0 HG21 ILE A 63 -7.675 -5.087 -1.890 1.00 1.72 H new ATOM 0 HG22 ILE A 63 -6.932 -6.438 -2.780 1.00 1.72 H new ATOM 0 HG23 ILE A 63 -8.387 -5.640 -3.424 1.00 1.72 H new ATOM 0 HD11 ILE A 63 -10.767 -4.607 -0.166 1.00 1.64 H new ATOM 0 HD12 ILE A 63 -9.340 -5.449 0.484 1.00 1.64 H new ATOM 0 HD13 ILE A 63 -9.169 -4.350 -0.906 1.00 1.64 H new ATOM 1002 N GLN A 64 -9.542 -10.012 -1.120 1.00 0.71 N ATOM 1003 CA GLN A 64 -10.526 -10.906 -0.445 1.00 0.66 C ATOM 1004 C GLN A 64 -11.414 -10.070 0.481 1.00 0.61 C ATOM 1005 O GLN A 64 -12.598 -10.299 0.531 1.00 1.32 O ATOM 1006 CB GLN A 64 -9.786 -11.960 0.375 1.00 0.77 C ATOM 1007 CG GLN A 64 -8.978 -12.853 -0.563 1.00 1.23 C ATOM 1008 CD GLN A 64 -8.318 -13.978 0.236 1.00 1.77 C ATOM 1009 OE1 GLN A 64 -8.476 -14.022 1.530 1.00 2.17 O flip ATOM 1010 NE2 GLN A 64 -7.655 -14.828 -0.323 1.00 2.59 N flip ATOM 0 H GLN A 64 -8.558 -10.184 -0.915 1.00 0.71 H new ATOM 0 HA GLN A 64 -11.141 -11.402 -1.196 1.00 0.66 H new ATOM 0 HB2 GLN A 64 -9.125 -11.479 1.096 1.00 0.77 H new ATOM 0 HB3 GLN A 64 -10.497 -12.559 0.944 1.00 0.77 H new ATOM 0 HG2 GLN A 64 -9.628 -13.272 -1.331 1.00 1.23 H new ATOM 0 HG3 GLN A 64 -8.218 -12.264 -1.076 1.00 1.23 H new ATOM 0 HE21 GLN A 64 -7.531 -14.794 -1.335 1.00 2.59 H new ATOM 0 HE22 GLN A 64 -7.222 -15.576 0.219 1.00 2.59 H new ATOM 1019 N LYS A 65 -10.843 -9.124 1.223 1.00 0.80 N ATOM 1020 CA LYS A 65 -11.618 -8.248 2.186 1.00 0.78 C ATOM 1021 C LYS A 65 -11.492 -8.799 3.619 1.00 0.69 C ATOM 1022 O LYS A 65 -12.299 -9.597 4.052 1.00 0.82 O ATOM 1023 CB LYS A 65 -13.112 -8.094 1.833 1.00 1.04 C ATOM 1024 CG LYS A 65 -13.268 -7.471 0.438 1.00 1.72 C ATOM 1025 CD LYS A 65 -14.740 -7.122 0.201 1.00 1.99 C ATOM 1026 CE LYS A 65 -15.582 -8.401 0.206 1.00 2.85 C ATOM 1027 NZ LYS A 65 -16.768 -8.220 -0.679 1.00 3.48 N ATOM 0 H LYS A 65 -9.844 -8.921 1.197 1.00 0.80 H new ATOM 0 HA LYS A 65 -11.173 -7.256 2.108 1.00 0.78 H new ATOM 0 HB2 LYS A 65 -13.602 -9.067 1.861 1.00 1.04 H new ATOM 0 HB3 LYS A 65 -13.606 -7.468 2.576 1.00 1.04 H new ATOM 0 HG2 LYS A 65 -12.652 -6.575 0.356 1.00 1.72 H new ATOM 0 HG3 LYS A 65 -12.920 -8.168 -0.325 1.00 1.72 H new ATOM 0 HD2 LYS A 65 -15.091 -6.441 0.976 1.00 1.99 H new ATOM 0 HD3 LYS A 65 -14.852 -6.605 -0.752 1.00 1.99 H new ATOM 0 HE2 LYS A 65 -14.983 -9.244 -0.138 1.00 2.85 H new ATOM 0 HE3 LYS A 65 -15.905 -8.633 1.221 1.00 2.85 H new ATOM 0 HZ1 LYS A 65 -17.340 -9.089 -0.675 1.00 3.48 H new ATOM 0 HZ2 LYS A 65 -17.343 -7.426 -0.331 1.00 3.48 H new ATOM 0 HZ3 LYS A 65 -16.450 -8.019 -1.649 1.00 3.48 H new ATOM 1041 N GLY A 66 -10.496 -8.367 4.370 1.00 0.59 N ATOM 1042 CA GLY A 66 -10.351 -8.861 5.782 1.00 0.60 C ATOM 1043 C GLY A 66 -9.398 -10.067 5.867 1.00 0.55 C ATOM 1044 O GLY A 66 -9.296 -10.710 6.892 1.00 0.64 O ATOM 0 H GLY A 66 -9.785 -7.701 4.068 1.00 0.59 H new ATOM 0 HA2 GLY A 66 -9.976 -8.055 6.413 1.00 0.60 H new ATOM 0 HA3 GLY A 66 -11.329 -9.142 6.172 1.00 0.60 H new ATOM 1048 N ALA A 67 -8.725 -10.397 4.803 1.00 0.50 N ATOM 1049 CA ALA A 67 -7.804 -11.583 4.820 1.00 0.56 C ATOM 1050 C ALA A 67 -6.778 -11.508 5.974 1.00 0.56 C ATOM 1051 O ALA A 67 -6.342 -10.445 6.371 1.00 0.54 O ATOM 1052 CB ALA A 67 -7.061 -11.638 3.486 1.00 0.62 C ATOM 0 H ALA A 67 -8.768 -9.899 3.914 1.00 0.50 H new ATOM 0 HA ALA A 67 -8.404 -12.480 4.974 1.00 0.56 H new ATOM 0 HB1 ALA A 67 -6.387 -12.494 3.480 1.00 0.62 H new ATOM 0 HB2 ALA A 67 -7.780 -11.737 2.673 1.00 0.62 H new ATOM 0 HB3 ALA A 67 -6.486 -10.722 3.352 1.00 0.62 H new ATOM 1058 N SER A 68 -6.382 -12.658 6.494 1.00 0.63 N ATOM 1059 CA SER A 68 -5.370 -12.713 7.609 1.00 0.65 C ATOM 1060 C SER A 68 -4.044 -12.193 7.056 1.00 0.60 C ATOM 1061 O SER A 68 -3.902 -12.055 5.858 1.00 0.56 O ATOM 1062 CB SER A 68 -5.199 -14.154 8.090 1.00 0.73 C ATOM 1063 OG SER A 68 -4.451 -14.882 7.129 1.00 0.73 O ATOM 0 H SER A 68 -6.723 -13.569 6.188 1.00 0.63 H new ATOM 0 HA SER A 68 -5.700 -12.107 8.453 1.00 0.65 H new ATOM 0 HB2 SER A 68 -4.689 -14.170 9.053 1.00 0.73 H new ATOM 0 HB3 SER A 68 -6.174 -14.619 8.237 1.00 0.73 H new ATOM 0 HG SER A 68 -4.338 -15.806 7.434 1.00 0.73 H new ATOM 1069 N ASP A 69 -3.064 -11.867 7.873 1.00 0.64 N ATOM 1070 CA ASP A 69 -1.818 -11.336 7.270 1.00 0.60 C ATOM 1071 C ASP A 69 -1.193 -12.340 6.300 1.00 0.57 C ATOM 1072 O ASP A 69 -0.791 -11.968 5.224 1.00 0.51 O ATOM 1073 CB ASP A 69 -0.816 -11.041 8.388 1.00 0.66 C ATOM 1074 CG ASP A 69 -1.334 -9.882 9.242 1.00 1.15 C ATOM 1075 OD1 ASP A 69 -2.274 -9.231 8.816 1.00 2.02 O ATOM 1076 OD2 ASP A 69 -0.781 -9.663 10.307 1.00 1.69 O ATOM 0 H ASP A 69 -3.078 -11.945 8.890 1.00 0.64 H new ATOM 0 HA ASP A 69 -2.064 -10.430 6.715 1.00 0.60 H new ATOM 0 HB2 ASP A 69 -0.673 -11.927 9.006 1.00 0.66 H new ATOM 0 HB3 ASP A 69 0.156 -10.788 7.963 1.00 0.66 H new ATOM 1081 N GLU A 70 -1.090 -13.608 6.633 1.00 0.64 N ATOM 1082 CA GLU A 70 -0.448 -14.521 5.642 1.00 0.64 C ATOM 1083 C GLU A 70 -1.300 -14.557 4.388 1.00 0.59 C ATOM 1084 O GLU A 70 -0.806 -14.536 3.278 1.00 0.57 O ATOM 1085 CB GLU A 70 -0.347 -15.928 6.232 1.00 0.75 C ATOM 1086 CG GLU A 70 0.587 -15.911 7.444 1.00 1.34 C ATOM 1087 CD GLU A 70 0.739 -17.332 7.991 1.00 1.66 C ATOM 1088 OE1 GLU A 70 0.013 -18.200 7.539 1.00 1.89 O ATOM 1089 OE2 GLU A 70 1.580 -17.526 8.854 1.00 2.30 O ATOM 0 H GLU A 70 -1.407 -14.031 7.505 1.00 0.64 H new ATOM 0 HA GLU A 70 0.553 -14.162 5.401 1.00 0.64 H new ATOM 0 HB2 GLU A 70 -1.335 -16.281 6.527 1.00 0.75 H new ATOM 0 HB3 GLU A 70 0.029 -16.622 5.480 1.00 0.75 H new ATOM 0 HG2 GLU A 70 1.561 -15.513 7.160 1.00 1.34 H new ATOM 0 HG3 GLU A 70 0.187 -15.254 8.216 1.00 1.34 H new ATOM 1096 N GLU A 71 -2.586 -14.572 4.563 1.00 0.59 N ATOM 1097 CA GLU A 71 -3.468 -14.562 3.378 1.00 0.57 C ATOM 1098 C GLU A 71 -3.295 -13.227 2.662 1.00 0.51 C ATOM 1099 O GLU A 71 -3.295 -13.154 1.454 1.00 0.51 O ATOM 1100 CB GLU A 71 -4.921 -14.764 3.813 1.00 0.64 C ATOM 1101 CG GLU A 71 -5.085 -16.169 4.395 1.00 0.90 C ATOM 1102 CD GLU A 71 -6.549 -16.394 4.779 1.00 1.19 C ATOM 1103 OE1 GLU A 71 -7.305 -15.438 4.740 1.00 1.96 O ATOM 1104 OE2 GLU A 71 -6.888 -17.520 5.106 1.00 1.50 O ATOM 0 H GLU A 71 -3.059 -14.591 5.467 1.00 0.59 H new ATOM 0 HA GLU A 71 -3.205 -15.373 2.699 1.00 0.57 H new ATOM 0 HB2 GLU A 71 -5.197 -14.016 4.556 1.00 0.64 H new ATOM 0 HB3 GLU A 71 -5.589 -14.630 2.962 1.00 0.64 H new ATOM 0 HG2 GLU A 71 -4.770 -16.915 3.666 1.00 0.90 H new ATOM 0 HG3 GLU A 71 -4.446 -16.289 5.270 1.00 0.90 H new ATOM 1111 N VAL A 72 -3.111 -12.167 3.412 1.00 0.49 N ATOM 1112 CA VAL A 72 -2.902 -10.836 2.780 1.00 0.46 C ATOM 1113 C VAL A 72 -1.594 -10.813 1.993 1.00 0.41 C ATOM 1114 O VAL A 72 -1.519 -10.273 0.908 1.00 0.43 O ATOM 1115 CB VAL A 72 -2.818 -9.760 3.861 1.00 0.48 C ATOM 1116 CG1 VAL A 72 -2.456 -8.422 3.220 1.00 0.46 C ATOM 1117 CG2 VAL A 72 -4.157 -9.635 4.591 1.00 0.59 C ATOM 0 H VAL A 72 -3.097 -12.171 4.432 1.00 0.49 H new ATOM 0 HA VAL A 72 -3.740 -10.646 2.110 1.00 0.46 H new ATOM 0 HB VAL A 72 -2.050 -10.041 4.582 1.00 0.48 H new ATOM 0 HG11 VAL A 72 -2.396 -7.654 3.991 1.00 0.46 H new ATOM 0 HG12 VAL A 72 -1.493 -8.508 2.718 1.00 0.46 H new ATOM 0 HG13 VAL A 72 -3.221 -8.148 2.493 1.00 0.46 H new ATOM 0 HG21 VAL A 72 -4.082 -8.865 5.359 1.00 0.59 H new ATOM 0 HG22 VAL A 72 -4.936 -9.363 3.879 1.00 0.59 H new ATOM 0 HG23 VAL A 72 -4.408 -10.588 5.057 1.00 0.59 H new ATOM 1127 N LYS A 73 -0.546 -11.372 2.546 1.00 0.40 N ATOM 1128 CA LYS A 73 0.747 -11.338 1.819 1.00 0.43 C ATOM 1129 C LYS A 73 0.600 -12.046 0.478 1.00 0.47 C ATOM 1130 O LYS A 73 1.099 -11.590 -0.530 1.00 0.51 O ATOM 1131 CB LYS A 73 1.828 -12.009 2.668 1.00 0.48 C ATOM 1132 CG LYS A 73 2.061 -11.194 3.939 1.00 0.50 C ATOM 1133 CD LYS A 73 3.218 -11.816 4.718 1.00 0.59 C ATOM 1134 CE LYS A 73 3.374 -11.082 6.041 1.00 0.76 C ATOM 1135 NZ LYS A 73 4.321 -11.826 6.918 1.00 0.79 N ATOM 0 H LYS A 73 -0.534 -11.840 3.452 1.00 0.40 H new ATOM 0 HA LYS A 73 1.039 -10.304 1.635 1.00 0.43 H new ATOM 0 HB2 LYS A 73 1.525 -13.024 2.925 1.00 0.48 H new ATOM 0 HB3 LYS A 73 2.755 -12.088 2.099 1.00 0.48 H new ATOM 0 HG2 LYS A 73 2.290 -10.159 3.687 1.00 0.50 H new ATOM 0 HG3 LYS A 73 1.158 -11.181 4.550 1.00 0.50 H new ATOM 0 HD2 LYS A 73 3.027 -12.875 4.895 1.00 0.59 H new ATOM 0 HD3 LYS A 73 4.140 -11.750 4.140 1.00 0.59 H new ATOM 0 HE2 LYS A 73 3.743 -10.071 5.866 1.00 0.76 H new ATOM 0 HE3 LYS A 73 2.406 -10.988 6.532 1.00 0.76 H new ATOM 0 HZ1 LYS A 73 4.426 -11.322 7.822 1.00 0.79 H new ATOM 0 HZ2 LYS A 73 3.952 -12.782 7.095 1.00 0.79 H new ATOM 0 HZ3 LYS A 73 5.247 -11.894 6.450 1.00 0.79 H new ATOM 1149 N LYS A 74 -0.078 -13.160 0.440 1.00 0.49 N ATOM 1150 CA LYS A 74 -0.211 -13.835 -0.872 1.00 0.57 C ATOM 1151 C LYS A 74 -0.897 -12.856 -1.816 1.00 0.58 C ATOM 1152 O LYS A 74 -0.499 -12.677 -2.950 1.00 0.63 O ATOM 1153 CB LYS A 74 -1.057 -15.097 -0.725 1.00 0.63 C ATOM 1154 CG LYS A 74 -0.325 -16.088 0.178 1.00 1.16 C ATOM 1155 CD LYS A 74 -1.109 -17.396 0.224 1.00 1.19 C ATOM 1156 CE LYS A 74 -0.452 -18.355 1.219 1.00 2.01 C ATOM 1157 NZ LYS A 74 -0.772 -19.760 0.836 1.00 2.33 N ATOM 0 H LYS A 74 -0.530 -13.616 1.233 1.00 0.49 H new ATOM 0 HA LYS A 74 0.766 -14.125 -1.259 1.00 0.57 H new ATOM 0 HB2 LYS A 74 -2.030 -14.850 -0.301 1.00 0.63 H new ATOM 0 HB3 LYS A 74 -1.240 -15.543 -1.703 1.00 0.63 H new ATOM 0 HG2 LYS A 74 0.682 -16.267 -0.199 1.00 1.16 H new ATOM 0 HG3 LYS A 74 -0.222 -15.676 1.182 1.00 1.16 H new ATOM 0 HD2 LYS A 74 -2.141 -17.203 0.517 1.00 1.19 H new ATOM 0 HD3 LYS A 74 -1.139 -17.849 -0.767 1.00 1.19 H new ATOM 0 HE2 LYS A 74 0.628 -18.205 1.227 1.00 2.01 H new ATOM 0 HE3 LYS A 74 -0.810 -18.151 2.228 1.00 2.01 H new ATOM 0 HZ1 LYS A 74 -0.326 -20.414 1.511 1.00 2.33 H new ATOM 0 HZ2 LYS A 74 -1.803 -19.897 0.850 1.00 2.33 H new ATOM 0 HZ3 LYS A 74 -0.410 -19.950 -0.120 1.00 2.33 H new ATOM 1171 N LYS A 75 -1.894 -12.171 -1.324 1.00 0.55 N ATOM 1172 CA LYS A 75 -2.581 -11.142 -2.143 1.00 0.59 C ATOM 1173 C LYS A 75 -1.620 -10.023 -2.518 1.00 0.55 C ATOM 1174 O LYS A 75 -1.731 -9.438 -3.576 1.00 0.59 O ATOM 1175 CB LYS A 75 -3.776 -10.565 -1.381 1.00 0.62 C ATOM 1176 CG LYS A 75 -4.793 -11.673 -1.036 1.00 1.06 C ATOM 1177 CD LYS A 75 -5.444 -12.272 -2.301 1.00 1.32 C ATOM 1178 CE LYS A 75 -6.037 -11.162 -3.175 1.00 1.88 C ATOM 1179 NZ LYS A 75 -7.143 -11.718 -4.003 1.00 2.62 N ATOM 0 H LYS A 75 -2.262 -12.285 -0.380 1.00 0.55 H new ATOM 0 HA LYS A 75 -2.937 -11.618 -3.056 1.00 0.59 H new ATOM 0 HB2 LYS A 75 -3.431 -10.084 -0.466 1.00 0.62 H new ATOM 0 HB3 LYS A 75 -4.260 -9.796 -1.983 1.00 0.62 H new ATOM 0 HG2 LYS A 75 -4.293 -12.463 -0.476 1.00 1.06 H new ATOM 0 HG3 LYS A 75 -5.568 -11.265 -0.387 1.00 1.06 H new ATOM 0 HD2 LYS A 75 -4.701 -12.833 -2.869 1.00 1.32 H new ATOM 0 HD3 LYS A 75 -6.226 -12.976 -2.016 1.00 1.32 H new ATOM 0 HE2 LYS A 75 -6.410 -10.352 -2.549 1.00 1.88 H new ATOM 0 HE3 LYS A 75 -5.265 -10.739 -3.818 1.00 1.88 H new ATOM 0 HZ1 LYS A 75 -7.545 -10.964 -4.596 1.00 2.62 H new ATOM 0 HZ2 LYS A 75 -6.774 -12.477 -4.611 1.00 2.62 H new ATOM 0 HZ3 LYS A 75 -7.883 -12.101 -3.381 1.00 2.62 H new ATOM 1193 N LEU A 76 -0.700 -9.677 -1.654 1.00 0.51 N ATOM 1194 CA LEU A 76 0.218 -8.557 -1.976 1.00 0.52 C ATOM 1195 C LEU A 76 0.930 -8.861 -3.293 1.00 0.54 C ATOM 1196 O LEU A 76 1.120 -8.004 -4.129 1.00 0.59 O ATOM 1197 CB LEU A 76 1.197 -8.471 -0.797 1.00 0.58 C ATOM 1198 CG LEU A 76 2.139 -7.293 -0.955 1.00 0.76 C ATOM 1199 CD1 LEU A 76 1.337 -5.994 -0.918 1.00 1.30 C ATOM 1200 CD2 LEU A 76 3.131 -7.299 0.209 1.00 1.28 C ATOM 0 H LEU A 76 -0.550 -10.121 -0.748 1.00 0.51 H new ATOM 0 HA LEU A 76 -0.296 -7.605 -2.107 1.00 0.52 H new ATOM 0 HB2 LEU A 76 0.641 -8.373 0.135 1.00 0.58 H new ATOM 0 HB3 LEU A 76 1.772 -9.394 -0.730 1.00 0.58 H new ATOM 0 HG LEU A 76 2.670 -7.368 -1.904 1.00 0.76 H new ATOM 0 HD11 LEU A 76 2.012 -5.146 -1.031 1.00 1.30 H new ATOM 0 HD12 LEU A 76 0.611 -5.991 -1.731 1.00 1.30 H new ATOM 0 HD13 LEU A 76 0.814 -5.916 0.035 1.00 1.30 H new ATOM 0 HD21 LEU A 76 3.815 -6.457 0.108 1.00 1.28 H new ATOM 0 HD22 LEU A 76 2.588 -7.215 1.150 1.00 1.28 H new ATOM 0 HD23 LEU A 76 3.698 -8.230 0.199 1.00 1.28 H new ATOM 1212 N GLU A 77 1.332 -10.076 -3.467 1.00 0.54 N ATOM 1213 CA GLU A 77 2.058 -10.452 -4.713 1.00 0.62 C ATOM 1214 C GLU A 77 1.171 -10.138 -5.916 1.00 0.66 C ATOM 1215 O GLU A 77 1.647 -9.816 -6.986 1.00 0.72 O ATOM 1216 CB GLU A 77 2.371 -11.943 -4.698 1.00 0.67 C ATOM 1217 CG GLU A 77 3.333 -12.256 -3.550 1.00 0.65 C ATOM 1218 CD GLU A 77 3.697 -13.742 -3.578 1.00 1.04 C ATOM 1219 OE1 GLU A 77 3.084 -14.468 -4.342 1.00 1.47 O ATOM 1220 OE2 GLU A 77 4.585 -14.127 -2.834 1.00 1.70 O ATOM 0 H GLU A 77 1.192 -10.836 -2.801 1.00 0.54 H new ATOM 0 HA GLU A 77 2.990 -9.890 -4.776 1.00 0.62 H new ATOM 0 HB2 GLU A 77 1.451 -12.516 -4.581 1.00 0.67 H new ATOM 0 HB3 GLU A 77 2.814 -12.241 -5.648 1.00 0.67 H new ATOM 0 HG2 GLU A 77 4.234 -11.649 -3.641 1.00 0.65 H new ATOM 0 HG3 GLU A 77 2.872 -12.002 -2.596 1.00 0.65 H new ATOM 1227 N GLU A 78 -0.113 -10.224 -5.745 1.00 0.65 N ATOM 1228 CA GLU A 78 -1.013 -9.920 -6.888 1.00 0.71 C ATOM 1229 C GLU A 78 -0.637 -8.529 -7.420 1.00 0.67 C ATOM 1230 O GLU A 78 -0.695 -8.270 -8.606 1.00 0.72 O ATOM 1231 CB GLU A 78 -2.467 -9.923 -6.413 1.00 0.74 C ATOM 1232 CG GLU A 78 -3.393 -9.756 -7.614 1.00 1.38 C ATOM 1233 CD GLU A 78 -4.839 -9.663 -7.130 1.00 1.60 C ATOM 1234 OE1 GLU A 78 -5.045 -9.697 -5.928 1.00 2.29 O ATOM 1235 OE2 GLU A 78 -5.716 -9.558 -7.970 1.00 1.85 O ATOM 0 H GLU A 78 -0.576 -10.488 -4.875 1.00 0.65 H new ATOM 0 HA GLU A 78 -0.906 -10.669 -7.673 1.00 0.71 H new ATOM 0 HB2 GLU A 78 -2.690 -10.856 -5.895 1.00 0.74 H new ATOM 0 HB3 GLU A 78 -2.630 -9.115 -5.699 1.00 0.74 H new ATOM 0 HG2 GLU A 78 -3.126 -8.858 -8.171 1.00 1.38 H new ATOM 0 HG3 GLU A 78 -3.279 -10.599 -8.295 1.00 1.38 H new ATOM 1242 N SER A 79 -0.246 -7.635 -6.546 1.00 0.62 N ATOM 1243 CA SER A 79 0.142 -6.261 -6.990 1.00 0.62 C ATOM 1244 C SER A 79 1.418 -6.330 -7.863 1.00 0.68 C ATOM 1245 O SER A 79 1.721 -5.398 -8.575 1.00 0.74 O ATOM 1246 CB SER A 79 0.234 -5.263 -5.812 1.00 0.59 C ATOM 1247 OG SER A 79 -1.043 -5.167 -5.197 1.00 1.41 O ATOM 0 H SER A 79 -0.179 -7.798 -5.541 1.00 0.62 H new ATOM 0 HA SER A 79 -0.652 -5.857 -7.618 1.00 0.62 H new ATOM 0 HB2 SER A 79 0.977 -5.599 -5.089 1.00 0.59 H new ATOM 0 HB3 SER A 79 0.556 -4.285 -6.169 1.00 0.59 H new ATOM 0 HG SER A 79 -1.496 -4.356 -5.509 1.00 1.41 H new ATOM 1253 N ASN A 80 2.166 -7.426 -7.789 1.00 0.72 N ATOM 1254 CA ASN A 80 3.442 -7.595 -8.599 1.00 0.85 C ATOM 1255 C ASN A 80 4.560 -6.690 -8.081 1.00 0.84 C ATOM 1256 O ASN A 80 5.205 -5.960 -8.803 1.00 0.95 O ATOM 1257 CB ASN A 80 3.197 -7.315 -10.092 1.00 0.98 C ATOM 1258 CG ASN A 80 2.169 -8.310 -10.632 1.00 1.05 C ATOM 1259 OD1 ASN A 80 1.930 -9.340 -10.033 1.00 1.40 O ATOM 1260 ND2 ASN A 80 1.546 -8.045 -11.747 1.00 1.53 N ATOM 0 H ASN A 80 1.943 -8.223 -7.192 1.00 0.72 H new ATOM 0 HA ASN A 80 3.755 -8.633 -8.483 1.00 0.85 H new ATOM 0 HB2 ASN A 80 2.839 -6.295 -10.228 1.00 0.98 H new ATOM 0 HB3 ASN A 80 4.131 -7.402 -10.648 1.00 0.98 H new ATOM 0 HD21 ASN A 80 0.859 -8.702 -12.116 1.00 1.53 H new ATOM 0 HD22 ASN A 80 1.746 -7.181 -12.250 1.00 1.53 H new ATOM 1267 N LEU A 81 4.769 -6.779 -6.807 1.00 0.80 N ATOM 1268 CA LEU A 81 5.819 -5.989 -6.105 1.00 0.88 C ATOM 1269 C LEU A 81 7.222 -6.346 -6.582 1.00 1.17 C ATOM 1270 O LEU A 81 8.131 -5.556 -6.460 1.00 1.25 O ATOM 1271 CB LEU A 81 5.763 -6.261 -4.615 1.00 1.13 C ATOM 1272 CG LEU A 81 4.495 -5.667 -4.013 1.00 1.49 C ATOM 1273 CD1 LEU A 81 3.291 -6.549 -4.293 1.00 1.87 C ATOM 1274 CD2 LEU A 81 4.674 -5.533 -2.511 1.00 2.46 C ATOM 0 H LEU A 81 4.234 -7.393 -6.192 1.00 0.80 H new ATOM 0 HA LEU A 81 5.620 -4.940 -6.326 1.00 0.88 H new ATOM 0 HB2 LEU A 81 5.790 -7.336 -4.434 1.00 1.13 H new ATOM 0 HB3 LEU A 81 6.639 -5.833 -4.128 1.00 1.13 H new ATOM 0 HG LEU A 81 4.321 -4.691 -4.466 1.00 1.49 H new ATOM 0 HD11 LEU A 81 2.401 -6.100 -3.852 1.00 1.87 H new ATOM 0 HD12 LEU A 81 3.153 -6.645 -5.370 1.00 1.87 H new ATOM 0 HD13 LEU A 81 3.454 -7.535 -3.858 1.00 1.87 H new ATOM 0 HD21 LEU A 81 3.770 -5.109 -2.073 1.00 2.46 H new ATOM 0 HD22 LEU A 81 4.860 -6.516 -2.078 1.00 2.46 H new ATOM 0 HD23 LEU A 81 5.520 -4.878 -2.302 1.00 2.46 H new ATOM 1286 N THR A 82 7.444 -7.544 -7.029 1.00 1.41 N ATOM 1287 CA THR A 82 8.829 -7.951 -7.394 1.00 1.79 C ATOM 1288 C THR A 82 9.522 -6.860 -8.210 1.00 1.79 C ATOM 1289 O THR A 82 10.715 -6.674 -8.078 1.00 1.97 O ATOM 1290 CB THR A 82 8.775 -9.241 -8.215 1.00 2.11 C ATOM 1291 OG1 THR A 82 8.046 -10.228 -7.498 1.00 2.13 O ATOM 1292 CG2 THR A 82 10.197 -9.741 -8.475 1.00 2.54 C ATOM 0 H THR A 82 6.730 -8.261 -7.159 1.00 1.41 H new ATOM 0 HA THR A 82 9.397 -8.111 -6.478 1.00 1.79 H new ATOM 0 HB THR A 82 8.281 -9.046 -9.167 1.00 2.11 H new ATOM 0 HG1 THR A 82 8.009 -11.054 -8.024 1.00 2.13 H new ATOM 0 HG21 THR A 82 10.158 -10.660 -9.060 1.00 2.54 H new ATOM 0 HG22 THR A 82 10.754 -8.983 -9.026 1.00 2.54 H new ATOM 0 HG23 THR A 82 10.693 -9.937 -7.525 1.00 2.54 H new ATOM 1300 N GLU A 83 8.842 -6.147 -9.058 1.00 1.69 N ATOM 1301 CA GLU A 83 9.555 -5.102 -9.840 1.00 1.83 C ATOM 1302 C GLU A 83 8.580 -3.991 -10.256 1.00 1.73 C ATOM 1303 O GLU A 83 8.989 -2.884 -10.548 1.00 1.85 O ATOM 1304 CB GLU A 83 10.170 -5.754 -11.083 1.00 2.32 C ATOM 1305 CG GLU A 83 11.033 -4.742 -11.847 1.00 2.54 C ATOM 1306 CD GLU A 83 12.274 -4.401 -11.018 1.00 2.96 C ATOM 1307 OE1 GLU A 83 12.656 -5.219 -10.197 1.00 3.13 O ATOM 1308 OE2 GLU A 83 12.818 -3.327 -11.218 1.00 3.53 O ATOM 0 H GLU A 83 7.843 -6.238 -9.243 1.00 1.69 H new ATOM 0 HA GLU A 83 10.339 -4.657 -9.228 1.00 1.83 H new ATOM 0 HB2 GLU A 83 10.777 -6.610 -10.789 1.00 2.32 H new ATOM 0 HB3 GLU A 83 9.380 -6.131 -11.732 1.00 2.32 H new ATOM 0 HG2 GLU A 83 11.329 -5.155 -12.811 1.00 2.54 H new ATOM 0 HG3 GLU A 83 10.459 -3.838 -12.050 1.00 2.54 H new ATOM 1315 N TYR A 84 7.296 -4.240 -10.245 1.00 1.58 N ATOM 1316 CA TYR A 84 6.353 -3.138 -10.606 1.00 1.68 C ATOM 1317 C TYR A 84 6.525 -2.015 -9.585 1.00 1.53 C ATOM 1318 O TYR A 84 6.493 -0.840 -9.894 1.00 1.85 O ATOM 1319 CB TYR A 84 4.911 -3.621 -10.568 1.00 1.54 C ATOM 1320 CG TYR A 84 4.010 -2.521 -11.083 1.00 1.85 C ATOM 1321 CD1 TYR A 84 3.789 -2.396 -12.460 1.00 2.10 C ATOM 1322 CD2 TYR A 84 3.400 -1.627 -10.194 1.00 2.50 C ATOM 1323 CE1 TYR A 84 2.960 -1.378 -12.948 1.00 2.45 C ATOM 1324 CE2 TYR A 84 2.572 -0.609 -10.682 1.00 2.86 C ATOM 1325 CZ TYR A 84 2.352 -0.485 -12.059 1.00 2.63 C ATOM 1326 OH TYR A 84 1.536 0.519 -12.540 1.00 3.06 O ATOM 0 H TYR A 84 6.867 -5.135 -10.008 1.00 1.58 H new ATOM 0 HA TYR A 84 6.574 -2.793 -11.616 1.00 1.68 H new ATOM 0 HB2 TYR A 84 4.798 -4.517 -11.178 1.00 1.54 H new ATOM 0 HB3 TYR A 84 4.631 -3.891 -9.550 1.00 1.54 H new ATOM 0 HD1 TYR A 84 4.258 -3.085 -13.146 1.00 2.10 H new ATOM 0 HD2 TYR A 84 3.568 -1.723 -9.132 1.00 2.50 H new ATOM 0 HE1 TYR A 84 2.790 -1.282 -14.010 1.00 2.45 H new ATOM 0 HE2 TYR A 84 2.103 0.081 -9.996 1.00 2.86 H new ATOM 0 HH TYR A 84 1.193 1.049 -11.790 1.00 3.06 H new ATOM 1336 N MET A 85 6.666 -2.413 -8.351 1.00 1.09 N ATOM 1337 CA MET A 85 6.798 -1.428 -7.237 1.00 1.02 C ATOM 1338 C MET A 85 8.248 -1.325 -6.767 1.00 0.89 C ATOM 1339 O MET A 85 9.150 -1.034 -7.528 1.00 1.10 O ATOM 1340 CB MET A 85 5.948 -1.886 -6.054 1.00 0.95 C ATOM 1341 CG MET A 85 4.476 -1.915 -6.452 1.00 1.24 C ATOM 1342 SD MET A 85 3.476 -2.284 -4.988 1.00 1.93 S ATOM 1343 CE MET A 85 3.752 -0.738 -4.105 1.00 2.45 C ATOM 0 H MET A 85 6.696 -3.391 -8.062 1.00 1.09 H new ATOM 0 HA MET A 85 6.467 -0.456 -7.603 1.00 1.02 H new ATOM 0 HB2 MET A 85 6.265 -2.877 -5.729 1.00 0.95 H new ATOM 0 HB3 MET A 85 6.092 -1.212 -5.209 1.00 0.95 H new ATOM 0 HG2 MET A 85 4.182 -0.955 -6.877 1.00 1.24 H new ATOM 0 HG3 MET A 85 4.309 -2.669 -7.222 1.00 1.24 H new ATOM 0 HE1 MET A 85 2.930 -0.564 -3.411 1.00 2.45 H new ATOM 0 HE2 MET A 85 4.689 -0.798 -3.551 1.00 2.45 H new ATOM 0 HE3 MET A 85 3.805 0.084 -4.819 1.00 2.45 H new ATOM 1353 N LYS A 86 8.465 -1.573 -5.504 1.00 0.69 N ATOM 1354 CA LYS A 86 9.828 -1.516 -4.911 1.00 0.66 C ATOM 1355 C LYS A 86 10.595 -0.295 -5.411 1.00 0.77 C ATOM 1356 O LYS A 86 11.798 -0.216 -5.262 1.00 0.83 O ATOM 1357 CB LYS A 86 10.577 -2.777 -5.288 1.00 0.81 C ATOM 1358 CG LYS A 86 9.852 -3.974 -4.692 1.00 0.90 C ATOM 1359 CD LYS A 86 10.492 -5.265 -5.202 1.00 1.28 C ATOM 1360 CE LYS A 86 11.951 -5.361 -4.749 1.00 1.33 C ATOM 1361 NZ LYS A 86 12.279 -6.779 -4.427 1.00 1.49 N ATOM 0 H LYS A 86 7.730 -1.820 -4.841 1.00 0.69 H new ATOM 0 HA LYS A 86 9.738 -1.437 -3.828 1.00 0.66 H new ATOM 0 HB2 LYS A 86 10.634 -2.872 -6.372 1.00 0.81 H new ATOM 0 HB3 LYS A 86 11.601 -2.733 -4.917 1.00 0.81 H new ATOM 0 HG2 LYS A 86 9.901 -3.937 -3.604 1.00 0.90 H new ATOM 0 HG3 LYS A 86 8.797 -3.946 -4.965 1.00 0.90 H new ATOM 0 HD2 LYS A 86 9.934 -6.125 -4.831 1.00 1.28 H new ATOM 0 HD3 LYS A 86 10.441 -5.297 -6.290 1.00 1.28 H new ATOM 0 HE2 LYS A 86 12.612 -4.993 -5.534 1.00 1.33 H new ATOM 0 HE3 LYS A 86 12.114 -4.731 -3.874 1.00 1.33 H new ATOM 0 HZ1 LYS A 86 13.270 -6.845 -4.119 1.00 1.49 H new ATOM 0 HZ2 LYS A 86 11.657 -7.115 -3.664 1.00 1.49 H new ATOM 0 HZ3 LYS A 86 12.139 -7.368 -5.273 1.00 1.49 H new ATOM 1375 N GLU A 87 9.930 0.667 -5.982 1.00 0.95 N ATOM 1376 CA GLU A 87 10.674 1.866 -6.448 1.00 1.19 C ATOM 1377 C GLU A 87 11.236 2.603 -5.234 1.00 1.21 C ATOM 1378 O GLU A 87 12.258 3.246 -5.313 1.00 1.60 O ATOM 1379 CB GLU A 87 9.728 2.793 -7.215 1.00 1.64 C ATOM 1380 CG GLU A 87 9.244 2.092 -8.485 1.00 1.85 C ATOM 1381 CD GLU A 87 8.356 3.045 -9.287 1.00 2.10 C ATOM 1382 OE1 GLU A 87 8.026 4.097 -8.764 1.00 2.30 O ATOM 1383 OE2 GLU A 87 8.019 2.707 -10.409 1.00 2.69 O ATOM 0 H GLU A 87 8.923 0.677 -6.144 1.00 0.95 H new ATOM 0 HA GLU A 87 11.488 1.561 -7.106 1.00 1.19 H new ATOM 0 HB2 GLU A 87 8.877 3.061 -6.588 1.00 1.64 H new ATOM 0 HB3 GLU A 87 10.240 3.721 -7.472 1.00 1.64 H new ATOM 0 HG2 GLU A 87 10.097 1.779 -9.088 1.00 1.85 H new ATOM 0 HG3 GLU A 87 8.688 1.191 -8.226 1.00 1.85 H new