USER MOD reduce.3.24.130724 H: found=0, std=0, add=828, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 825 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 69 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 73 SER OG : rot -47:sc= 0.565 USER MOD Set 2.1: A 1 MET N :NH3+ -118:sc= 0.0514 (180deg=0) USER MOD Set 2.2: A 33 ASN :FLIP amide:sc= -0.671 F(o=-1.2,f=-0.62) USER MOD Set 3.1: A 10 MET CE :methyl -175:sc= -0.162 (180deg=-0.213) USER MOD Set 3.2: A 24 TYR OH : rot 30:sc= 0 USER MOD Set 4.1: A 17 ASN : amide:sc= 0.208 X(o=0.14,f=-0.3) USER MOD Set 4.2: A 18 SER OG : rot 180:sc= -0.0666 USER MOD Set 5.1: A 9 SER OG : rot 79:sc= 1.02 USER MOD Set 5.2: A 16 SER OG : rot -48:sc= 1.29 USER MOD Single : A 1 MET CE :methyl 138:sc= -0.454 (180deg=-3.35!) USER MOD Single : A 3 ASN : amide:sc= -0.334 X(o=-0.33,f=-0.47) USER MOD Single : A 4 MET CE :methyl -110:sc= -1.37 (180deg=-5.04!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 CYS SG : rot -78:sc= 0.495 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= 0.695 K(o=0.7,f=-0.44) USER MOD Single : A 46 SER OG : rot 180:sc=-0.000864 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -144:sc= 0.463 (180deg=0.0337) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 CYS SG : rot 128:sc= 0.474 USER MOD Single : A 62 LYS NZ :NH3+ -175:sc= 1.32 (180deg=1.19) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN :FLIP amide:sc= -1.16 F(o=-2.2!,f=-1.2) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 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 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -0.297 X(o=-0.3,f=-0.72) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= -1.85 K(o=-1.8,f=-4!) USER MOD Single : A 91 SER OG : rot -78:sc= 0.627 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 25 N MET A 1 16.025 -1.581 6.448 1.00 0.00 N ATOM 26 CA MET A 1 14.658 -1.958 6.785 1.00 0.00 C ATOM 27 C MET A 1 14.516 -3.456 6.605 1.00 0.00 C ATOM 28 O MET A 1 14.759 -3.938 5.500 1.00 0.00 O ATOM 29 CB MET A 1 13.684 -1.245 5.847 1.00 0.00 C ATOM 30 CG MET A 1 12.249 -1.657 6.163 1.00 0.00 C ATOM 31 SD MET A 1 11.693 -1.221 7.835 1.00 0.00 S ATOM 32 CE MET A 1 10.570 -2.594 8.210 1.00 0.00 C ATOM 0 H1 MET A 1 16.489 -1.173 7.285 1.00 0.00 H new ATOM 0 H2 MET A 1 16.551 -2.423 6.137 1.00 0.00 H new ATOM 0 H3 MET A 1 16.012 -0.878 5.682 1.00 0.00 H new ATOM 0 HA MET A 1 14.437 -1.677 7.815 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.791 -0.165 5.952 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.920 -1.490 4.811 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.582 -1.190 5.438 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.157 -2.735 6.032 1.00 0.00 H new ATOM 0 HE1 MET A 1 10.726 -2.921 9.238 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.538 -2.264 8.087 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.770 -3.423 7.531 1.00 0.00 H new ATOM 42 N ILE A 2 14.085 -4.182 7.631 1.00 0.00 N ATOM 43 CA ILE A 2 13.951 -5.631 7.559 1.00 0.00 C ATOM 44 C ILE A 2 12.478 -5.976 7.732 1.00 0.00 C ATOM 45 O ILE A 2 11.831 -5.403 8.603 1.00 0.00 O ATOM 46 CB ILE A 2 14.801 -6.315 8.648 1.00 0.00 C ATOM 47 CG1 ILE A 2 16.175 -5.675 8.957 1.00 0.00 C ATOM 48 CG2 ILE A 2 14.960 -7.786 8.255 1.00 0.00 C ATOM 49 CD1 ILE A 2 17.145 -5.517 7.782 1.00 0.00 C ATOM 0 H ILE A 2 13.820 -3.784 8.532 1.00 0.00 H new ATOM 0 HA ILE A 2 14.310 -5.991 6.595 1.00 0.00 H new ATOM 0 HB ILE A 2 14.260 -6.188 9.586 1.00 0.00 H new ATOM 0 HG12 ILE A 2 16.001 -4.689 9.388 1.00 0.00 H new ATOM 0 HG13 ILE A 2 16.665 -6.276 9.723 1.00 0.00 H new ATOM 0 HG21 ILE A 2 15.558 -8.301 9.007 1.00 0.00 H new ATOM 0 HG22 ILE A 2 13.978 -8.254 8.191 1.00 0.00 H new ATOM 0 HG23 ILE A 2 15.458 -7.852 7.287 1.00 0.00 H new ATOM 0 HD11 ILE A 2 18.069 -5.057 8.132 1.00 0.00 H new ATOM 0 HD12 ILE A 2 17.366 -6.497 7.358 1.00 0.00 H new ATOM 0 HD13 ILE A 2 16.692 -4.885 7.018 1.00 0.00 H new ATOM 61 N ASN A 3 11.964 -6.932 6.948 1.00 0.00 N ATOM 62 CA ASN A 3 10.557 -7.339 6.957 1.00 0.00 C ATOM 63 C ASN A 3 9.606 -6.128 6.962 1.00 0.00 C ATOM 64 O ASN A 3 8.829 -5.909 7.898 1.00 0.00 O ATOM 65 CB ASN A 3 10.283 -8.329 8.104 1.00 0.00 C ATOM 66 CG ASN A 3 8.807 -8.712 8.222 1.00 0.00 C ATOM 67 OD1 ASN A 3 8.087 -8.858 7.229 1.00 0.00 O ATOM 68 ND2 ASN A 3 8.322 -8.888 9.440 1.00 0.00 N ATOM 0 H ASN A 3 12.528 -7.454 6.277 1.00 0.00 H new ATOM 0 HA ASN A 3 10.350 -7.867 6.026 1.00 0.00 H new ATOM 0 HB2 ASN A 3 10.875 -9.231 7.948 1.00 0.00 H new ATOM 0 HB3 ASN A 3 10.615 -7.888 9.044 1.00 0.00 H new ATOM 0 HD21 ASN A 3 7.344 -9.147 9.567 1.00 0.00 H new ATOM 0 HD22 ASN A 3 8.926 -8.765 10.252 1.00 0.00 H new ATOM 75 N MET A 4 9.649 -5.341 5.884 1.00 0.00 N ATOM 76 CA MET A 4 8.620 -4.360 5.572 1.00 0.00 C ATOM 77 C MET A 4 7.636 -5.031 4.622 1.00 0.00 C ATOM 78 O MET A 4 8.044 -5.888 3.829 1.00 0.00 O ATOM 79 CB MET A 4 9.311 -3.197 4.865 1.00 0.00 C ATOM 80 CG MET A 4 8.450 -1.993 4.511 1.00 0.00 C ATOM 81 SD MET A 4 8.002 -0.930 5.904 1.00 0.00 S ATOM 82 CE MET A 4 9.120 0.492 5.656 1.00 0.00 C ATOM 0 H MET A 4 10.406 -5.371 5.202 1.00 0.00 H new ATOM 0 HA MET A 4 8.098 -4.002 6.459 1.00 0.00 H new ATOM 0 HB2 MET A 4 10.129 -2.854 5.498 1.00 0.00 H new ATOM 0 HB3 MET A 4 9.757 -3.576 3.946 1.00 0.00 H new ATOM 0 HG2 MET A 4 8.980 -1.392 3.772 1.00 0.00 H new ATOM 0 HG3 MET A 4 7.535 -2.348 4.036 1.00 0.00 H new ATOM 0 HE1 MET A 4 9.880 0.498 6.438 1.00 0.00 H new ATOM 0 HE2 MET A 4 9.602 0.410 4.682 1.00 0.00 H new ATOM 0 HE3 MET A 4 8.546 1.418 5.700 1.00 0.00 H new ATOM 92 N LYS A 5 6.374 -4.610 4.629 1.00 0.00 N ATOM 93 CA LYS A 5 5.391 -4.973 3.612 1.00 0.00 C ATOM 94 C LYS A 5 4.541 -3.751 3.344 1.00 0.00 C ATOM 95 O LYS A 5 4.131 -3.096 4.304 1.00 0.00 O ATOM 96 CB LYS A 5 4.507 -6.130 4.110 1.00 0.00 C ATOM 97 CG LYS A 5 5.076 -7.480 3.671 1.00 0.00 C ATOM 98 CD LYS A 5 5.007 -8.595 4.717 1.00 0.00 C ATOM 99 CE LYS A 5 3.741 -9.442 4.601 1.00 0.00 C ATOM 100 NZ LYS A 5 4.052 -10.888 4.705 1.00 0.00 N ATOM 0 H LYS A 5 6.000 -3.997 5.353 1.00 0.00 H new ATOM 0 HA LYS A 5 5.892 -5.302 2.701 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.436 -6.097 5.197 1.00 0.00 H new ATOM 0 HB3 LYS A 5 3.495 -6.013 3.721 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.541 -7.808 2.780 1.00 0.00 H new ATOM 0 HG3 LYS A 5 6.118 -7.339 3.383 1.00 0.00 H new ATOM 0 HD2 LYS A 5 5.880 -9.239 4.612 1.00 0.00 H new ATOM 0 HD3 LYS A 5 5.054 -8.155 5.713 1.00 0.00 H new ATOM 0 HE2 LYS A 5 3.039 -9.161 5.386 1.00 0.00 H new ATOM 0 HE3 LYS A 5 3.251 -9.240 3.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 3.174 -11.439 4.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 4.703 -11.159 3.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 4.498 -11.082 5.624 1.00 0.00 H new ATOM 114 N VAL A 6 4.226 -3.489 2.079 1.00 0.00 N ATOM 115 CA VAL A 6 3.282 -2.451 1.700 1.00 0.00 C ATOM 116 C VAL A 6 2.321 -3.011 0.673 1.00 0.00 C ATOM 117 O VAL A 6 2.724 -3.856 -0.121 1.00 0.00 O ATOM 118 CB VAL A 6 4.034 -1.204 1.195 1.00 0.00 C ATOM 119 CG1 VAL A 6 3.154 -0.193 0.447 1.00 0.00 C ATOM 120 CG2 VAL A 6 4.660 -0.507 2.391 1.00 0.00 C ATOM 0 H VAL A 6 4.622 -3.995 1.287 1.00 0.00 H new ATOM 0 HA VAL A 6 2.699 -2.132 2.564 1.00 0.00 H new ATOM 0 HB VAL A 6 4.776 -1.556 0.478 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.763 0.653 0.127 1.00 0.00 H new ATOM 0 HG12 VAL A 6 2.711 -0.672 -0.426 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.362 0.159 1.108 1.00 0.00 H new ATOM 0 HG21 VAL A 6 5.198 0.380 2.055 1.00 0.00 H new ATOM 0 HG22 VAL A 6 3.878 -0.213 3.091 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.354 -1.186 2.886 1.00 0.00 H new ATOM 130 N ALA A 7 1.076 -2.529 0.670 1.00 0.00 N ATOM 131 CA ALA A 7 0.119 -2.774 -0.398 1.00 0.00 C ATOM 132 C ALA A 7 -0.035 -1.496 -1.233 1.00 0.00 C ATOM 133 O ALA A 7 -0.662 -0.539 -0.779 1.00 0.00 O ATOM 134 CB ALA A 7 -1.211 -3.256 0.196 1.00 0.00 C ATOM 0 H ALA A 7 0.704 -1.950 1.423 1.00 0.00 H new ATOM 0 HA ALA A 7 0.474 -3.563 -1.061 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -1.924 -3.438 -0.608 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -1.048 -4.179 0.752 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -1.607 -2.494 0.867 1.00 0.00 H new ATOM 140 N ILE A 8 0.542 -1.449 -2.437 1.00 0.00 N ATOM 141 CA ILE A 8 0.282 -0.367 -3.390 1.00 0.00 C ATOM 142 C ILE A 8 -1.067 -0.691 -4.026 1.00 0.00 C ATOM 143 O ILE A 8 -1.206 -1.752 -4.638 1.00 0.00 O ATOM 144 CB ILE A 8 1.406 -0.241 -4.455 1.00 0.00 C ATOM 145 CG1 ILE A 8 2.784 -0.140 -3.762 1.00 0.00 C ATOM 146 CG2 ILE A 8 1.166 1.012 -5.325 1.00 0.00 C ATOM 147 CD1 ILE A 8 3.959 -0.107 -4.744 1.00 0.00 C ATOM 0 H ILE A 8 1.197 -2.153 -2.776 1.00 0.00 H new ATOM 0 HA ILE A 8 0.263 0.600 -2.888 1.00 0.00 H new ATOM 0 HB ILE A 8 1.392 -1.127 -5.090 1.00 0.00 H new ATOM 0 HG12 ILE A 8 2.808 0.760 -3.148 1.00 0.00 H new ATOM 0 HG13 ILE A 8 2.907 -0.988 -3.089 1.00 0.00 H new ATOM 0 HG21 ILE A 8 1.957 1.095 -6.070 1.00 0.00 H new ATOM 0 HG22 ILE A 8 0.202 0.927 -5.827 1.00 0.00 H new ATOM 0 HG23 ILE A 8 1.168 1.900 -4.693 1.00 0.00 H new ATOM 0 HD11 ILE A 8 4.895 -0.036 -4.190 1.00 0.00 H new ATOM 0 HD12 ILE A 8 3.960 -1.019 -5.341 1.00 0.00 H new ATOM 0 HD13 ILE A 8 3.860 0.757 -5.401 1.00 0.00 H new ATOM 159 N SER A 9 -2.083 0.157 -3.859 1.00 0.00 N ATOM 160 CA SER A 9 -3.332 -0.025 -4.581 1.00 0.00 C ATOM 161 C SER A 9 -3.086 0.374 -6.048 1.00 0.00 C ATOM 162 O SER A 9 -2.852 1.550 -6.358 1.00 0.00 O ATOM 163 CB SER A 9 -4.491 0.675 -3.845 1.00 0.00 C ATOM 164 OG SER A 9 -4.503 2.091 -3.891 1.00 0.00 O ATOM 0 H SER A 9 -2.062 0.965 -3.237 1.00 0.00 H new ATOM 0 HA SER A 9 -3.662 -1.063 -4.608 1.00 0.00 H new ATOM 0 HB2 SER A 9 -5.430 0.312 -4.263 1.00 0.00 H new ATOM 0 HB3 SER A 9 -4.467 0.367 -2.800 1.00 0.00 H new ATOM 0 HG SER A 9 -4.848 2.387 -4.759 1.00 0.00 H new ATOM 170 N MET A 10 -3.106 -0.591 -6.965 1.00 0.00 N ATOM 171 CA MET A 10 -2.806 -0.423 -8.382 1.00 0.00 C ATOM 172 C MET A 10 -4.056 -0.675 -9.215 1.00 0.00 C ATOM 173 O MET A 10 -5.020 -1.303 -8.764 1.00 0.00 O ATOM 174 CB MET A 10 -1.722 -1.421 -8.803 1.00 0.00 C ATOM 175 CG MET A 10 -0.360 -1.193 -8.157 1.00 0.00 C ATOM 176 SD MET A 10 0.566 0.236 -8.754 1.00 0.00 S ATOM 177 CE MET A 10 1.211 -0.455 -10.299 1.00 0.00 C ATOM 0 H MET A 10 -3.343 -1.554 -6.728 1.00 0.00 H new ATOM 0 HA MET A 10 -2.457 0.596 -8.546 1.00 0.00 H new ATOM 0 HB2 MET A 10 -2.060 -2.428 -8.559 1.00 0.00 H new ATOM 0 HB3 MET A 10 -1.607 -1.376 -9.886 1.00 0.00 H new ATOM 0 HG2 MET A 10 -0.503 -1.086 -7.082 1.00 0.00 H new ATOM 0 HG3 MET A 10 0.247 -2.085 -8.310 1.00 0.00 H new ATOM 0 HE1 MET A 10 1.886 0.263 -10.765 1.00 0.00 H new ATOM 0 HE2 MET A 10 1.752 -1.377 -10.087 1.00 0.00 H new ATOM 0 HE3 MET A 10 0.384 -0.668 -10.976 1.00 0.00 H new ATOM 187 N ASP A 11 -4.014 -0.184 -10.447 1.00 0.00 N ATOM 188 CA ASP A 11 -5.090 -0.285 -11.422 1.00 0.00 C ATOM 189 C ASP A 11 -4.674 -1.297 -12.481 1.00 0.00 C ATOM 190 O ASP A 11 -5.164 -2.424 -12.495 1.00 0.00 O ATOM 191 CB ASP A 11 -5.394 1.114 -11.994 1.00 0.00 C ATOM 192 CG ASP A 11 -6.762 1.629 -11.573 1.00 0.00 C ATOM 193 OD1 ASP A 11 -7.035 1.634 -10.356 1.00 0.00 O ATOM 194 OD2 ASP A 11 -7.514 2.078 -12.463 1.00 0.00 O ATOM 0 H ASP A 11 -3.199 0.313 -10.807 1.00 0.00 H new ATOM 0 HA ASP A 11 -6.017 -0.640 -10.971 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -4.627 1.814 -11.661 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -5.342 1.078 -13.082 1.00 0.00 H new ATOM 199 N VAL A 12 -3.750 -0.944 -13.370 1.00 0.00 N ATOM 200 CA VAL A 12 -3.386 -1.792 -14.492 1.00 0.00 C ATOM 201 C VAL A 12 -1.878 -1.722 -14.649 1.00 0.00 C ATOM 202 O VAL A 12 -1.256 -2.770 -14.798 1.00 0.00 O ATOM 203 CB VAL A 12 -4.178 -1.346 -15.739 1.00 0.00 C ATOM 204 CG1 VAL A 12 -3.669 -1.980 -17.038 1.00 0.00 C ATOM 205 CG2 VAL A 12 -5.678 -1.665 -15.578 1.00 0.00 C ATOM 0 H VAL A 12 -3.236 -0.064 -13.330 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.648 -2.838 -14.333 1.00 0.00 H new ATOM 0 HB VAL A 12 -4.027 -0.269 -15.816 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.269 -1.625 -17.876 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.627 -1.702 -17.194 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -3.749 -3.065 -16.969 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.216 -1.342 -16.469 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -5.809 -2.739 -15.444 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -6.070 -1.140 -14.707 1.00 0.00 H new ATOM 215 N ASP A 13 -1.292 -0.524 -14.592 1.00 0.00 N ATOM 216 CA ASP A 13 0.150 -0.352 -14.769 1.00 0.00 C ATOM 217 C ASP A 13 0.769 0.597 -13.747 1.00 0.00 C ATOM 218 O ASP A 13 1.989 0.637 -13.583 1.00 0.00 O ATOM 219 CB ASP A 13 0.439 0.150 -16.195 1.00 0.00 C ATOM 220 CG ASP A 13 0.651 -0.948 -17.238 1.00 0.00 C ATOM 221 OD1 ASP A 13 1.061 -2.084 -16.904 1.00 0.00 O ATOM 222 OD2 ASP A 13 0.382 -0.670 -18.424 1.00 0.00 O ATOM 0 H ASP A 13 -1.798 0.345 -14.424 1.00 0.00 H new ATOM 0 HA ASP A 13 0.610 -1.327 -14.610 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -0.390 0.780 -16.517 1.00 0.00 H new ATOM 0 HB3 ASP A 13 1.327 0.781 -16.168 1.00 0.00 H new ATOM 227 N LYS A 14 -0.056 1.351 -13.030 1.00 0.00 N ATOM 228 CA LYS A 14 0.348 2.430 -12.144 1.00 0.00 C ATOM 229 C LYS A 14 -0.651 2.492 -10.996 1.00 0.00 C ATOM 230 O LYS A 14 -1.644 1.749 -10.985 1.00 0.00 O ATOM 231 CB LYS A 14 0.442 3.748 -12.943 1.00 0.00 C ATOM 232 CG LYS A 14 -0.732 3.931 -13.916 1.00 0.00 C ATOM 233 CD LYS A 14 -0.734 5.277 -14.632 1.00 0.00 C ATOM 234 CE LYS A 14 -1.447 6.344 -13.806 1.00 0.00 C ATOM 235 NZ LYS A 14 -2.819 6.621 -14.285 1.00 0.00 N ATOM 0 H LYS A 14 -1.067 1.219 -13.053 1.00 0.00 H new ATOM 0 HA LYS A 14 1.338 2.258 -11.721 1.00 0.00 H new ATOM 0 HB2 LYS A 14 0.469 4.588 -12.249 1.00 0.00 H new ATOM 0 HB3 LYS A 14 1.378 3.765 -13.501 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.703 3.135 -14.660 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.667 3.821 -13.367 1.00 0.00 H new ATOM 0 HD2 LYS A 14 0.292 5.590 -14.826 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -1.225 5.176 -15.600 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.489 6.023 -12.765 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -0.865 7.265 -13.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -3.254 7.352 -13.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -2.782 6.955 -15.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -3.386 5.751 -14.235 1.00 0.00 H new ATOM 249 N ILE A 15 -0.358 3.358 -10.027 1.00 0.00 N ATOM 250 CA ILE A 15 -1.186 3.551 -8.847 1.00 0.00 C ATOM 251 C ILE A 15 -2.619 3.873 -9.303 1.00 0.00 C ATOM 252 O ILE A 15 -2.853 4.587 -10.289 1.00 0.00 O ATOM 253 CB ILE A 15 -0.541 4.617 -7.927 1.00 0.00 C ATOM 254 CG1 ILE A 15 0.822 4.111 -7.396 1.00 0.00 C ATOM 255 CG2 ILE A 15 -1.422 4.957 -6.709 1.00 0.00 C ATOM 256 CD1 ILE A 15 1.823 5.225 -7.080 1.00 0.00 C ATOM 0 H ILE A 15 0.472 3.950 -10.044 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.250 2.648 -8.240 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.420 5.513 -8.535 1.00 0.00 H new ATOM 0 HG12 ILE A 15 0.653 3.523 -6.494 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.262 3.441 -8.135 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.923 5.709 -6.098 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -2.381 5.346 -7.051 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.586 4.057 -6.116 1.00 0.00 H new ATOM 0 HD11 ILE A 15 2.751 4.787 -6.714 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.025 5.800 -7.984 1.00 0.00 H new ATOM 0 HD13 ILE A 15 1.406 5.883 -6.317 1.00 0.00 H new ATOM 268 N SER A 16 -3.559 3.279 -8.576 1.00 0.00 N ATOM 269 CA SER A 16 -4.992 3.448 -8.751 1.00 0.00 C ATOM 270 C SER A 16 -5.440 4.857 -8.368 1.00 0.00 C ATOM 271 O SER A 16 -4.746 5.577 -7.647 1.00 0.00 O ATOM 272 CB SER A 16 -5.708 2.412 -7.880 1.00 0.00 C ATOM 273 OG SER A 16 -5.299 2.499 -6.523 1.00 0.00 O ATOM 0 H SER A 16 -3.330 2.639 -7.816 1.00 0.00 H new ATOM 0 HA SER A 16 -5.243 3.303 -9.802 1.00 0.00 H new ATOM 0 HB2 SER A 16 -6.786 2.562 -7.946 1.00 0.00 H new ATOM 0 HB3 SER A 16 -5.502 1.411 -8.260 1.00 0.00 H new ATOM 0 HG SER A 16 -4.320 2.525 -6.477 1.00 0.00 H new ATOM 279 N ASN A 17 -6.646 5.238 -8.790 1.00 0.00 N ATOM 280 CA ASN A 17 -7.189 6.537 -8.416 1.00 0.00 C ATOM 281 C ASN A 17 -7.585 6.578 -6.933 1.00 0.00 C ATOM 282 O ASN A 17 -7.498 7.641 -6.319 1.00 0.00 O ATOM 283 CB ASN A 17 -8.371 6.907 -9.310 1.00 0.00 C ATOM 284 CG ASN A 17 -8.683 8.396 -9.218 1.00 0.00 C ATOM 285 OD1 ASN A 17 -8.217 9.207 -10.017 1.00 0.00 O ATOM 286 ND2 ASN A 17 -9.467 8.803 -8.236 1.00 0.00 N ATOM 0 H ASN A 17 -7.255 4.673 -9.382 1.00 0.00 H new ATOM 0 HA ASN A 17 -6.404 7.279 -8.563 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -8.146 6.642 -10.343 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -9.248 6.330 -9.017 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -9.689 9.794 -8.138 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -9.851 8.127 -7.576 1.00 0.00 H new ATOM 293 N SER A 18 -8.011 5.457 -6.335 1.00 0.00 N ATOM 294 CA SER A 18 -8.500 5.411 -4.956 1.00 0.00 C ATOM 295 C SER A 18 -8.406 3.974 -4.416 1.00 0.00 C ATOM 296 O SER A 18 -8.385 3.027 -5.203 1.00 0.00 O ATOM 297 CB SER A 18 -9.949 5.958 -4.888 1.00 0.00 C ATOM 298 OG SER A 18 -10.320 6.785 -5.985 1.00 0.00 O ATOM 0 H SER A 18 -8.025 4.550 -6.802 1.00 0.00 H new ATOM 0 HA SER A 18 -7.878 6.046 -4.325 1.00 0.00 H new ATOM 0 HB2 SER A 18 -10.639 5.116 -4.834 1.00 0.00 H new ATOM 0 HB3 SER A 18 -10.066 6.526 -3.965 1.00 0.00 H new ATOM 0 HG SER A 18 -11.245 7.087 -5.869 1.00 0.00 H new ATOM 304 N PHE A 19 -8.384 3.775 -3.089 1.00 0.00 N ATOM 305 CA PHE A 19 -8.299 2.441 -2.487 1.00 0.00 C ATOM 306 C PHE A 19 -9.573 1.651 -2.798 1.00 0.00 C ATOM 307 O PHE A 19 -9.517 0.466 -3.116 1.00 0.00 O ATOM 308 CB PHE A 19 -8.080 2.573 -0.969 1.00 0.00 C ATOM 309 CG PHE A 19 -7.945 1.264 -0.202 1.00 0.00 C ATOM 310 CD1 PHE A 19 -6.688 0.657 -0.012 1.00 0.00 C ATOM 311 CD2 PHE A 19 -9.085 0.645 0.345 1.00 0.00 C ATOM 312 CE1 PHE A 19 -6.580 -0.552 0.703 1.00 0.00 C ATOM 313 CE2 PHE A 19 -8.966 -0.549 1.085 1.00 0.00 C ATOM 314 CZ PHE A 19 -7.712 -1.154 1.270 1.00 0.00 C ATOM 0 H PHE A 19 -8.425 4.533 -2.408 1.00 0.00 H new ATOM 0 HA PHE A 19 -7.453 1.898 -2.908 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -7.180 3.165 -0.801 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -8.914 3.134 -0.548 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -5.801 1.122 -0.417 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -10.059 1.088 0.197 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -5.614 -1.021 0.816 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -9.847 -1.003 1.514 1.00 0.00 H new ATOM 0 HZ PHE A 19 -7.621 -2.067 1.839 1.00 0.00 H new ATOM 324 N GLU A 20 -10.731 2.314 -2.753 1.00 0.00 N ATOM 325 CA GLU A 20 -12.008 1.706 -3.118 1.00 0.00 C ATOM 326 C GLU A 20 -12.210 1.631 -4.638 1.00 0.00 C ATOM 327 O GLU A 20 -13.221 1.101 -5.090 1.00 0.00 O ATOM 328 CB GLU A 20 -13.161 2.423 -2.388 1.00 0.00 C ATOM 329 CG GLU A 20 -13.640 1.581 -1.208 1.00 0.00 C ATOM 330 CD GLU A 20 -14.759 0.598 -1.562 1.00 0.00 C ATOM 331 OE1 GLU A 20 -15.927 1.037 -1.549 1.00 0.00 O ATOM 332 OE2 GLU A 20 -14.475 -0.617 -1.678 1.00 0.00 O ATOM 0 H GLU A 20 -10.807 3.289 -2.462 1.00 0.00 H new ATOM 0 HA GLU A 20 -12.001 0.668 -2.785 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -12.828 3.399 -2.036 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -13.986 2.598 -3.079 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -12.794 1.024 -0.805 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -13.990 2.246 -0.418 1.00 0.00 H new ATOM 339 N ASP A 21 -11.239 2.080 -5.436 1.00 0.00 N ATOM 340 CA ASP A 21 -11.333 2.111 -6.897 1.00 0.00 C ATOM 341 C ASP A 21 -10.177 1.352 -7.546 1.00 0.00 C ATOM 342 O ASP A 21 -10.106 1.273 -8.767 1.00 0.00 O ATOM 343 CB ASP A 21 -11.409 3.583 -7.376 1.00 0.00 C ATOM 344 CG ASP A 21 -12.424 3.810 -8.497 1.00 0.00 C ATOM 345 OD1 ASP A 21 -12.206 3.384 -9.637 1.00 0.00 O ATOM 346 OD2 ASP A 21 -13.501 4.422 -8.219 1.00 0.00 O ATOM 0 H ASP A 21 -10.352 2.437 -5.080 1.00 0.00 H new ATOM 0 HA ASP A 21 -12.245 1.601 -7.209 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -11.667 4.219 -6.529 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -10.423 3.896 -7.721 1.00 0.00 H new ATOM 351 N CYS A 22 -9.271 0.755 -6.765 1.00 0.00 N ATOM 352 CA CYS A 22 -8.188 -0.041 -7.320 1.00 0.00 C ATOM 353 C CYS A 22 -8.719 -1.322 -7.970 1.00 0.00 C ATOM 354 O CYS A 22 -9.892 -1.684 -7.823 1.00 0.00 O ATOM 355 CB CYS A 22 -7.127 -0.301 -6.242 1.00 0.00 C ATOM 356 SG CYS A 22 -7.721 -1.381 -4.917 1.00 0.00 S ATOM 0 H CYS A 22 -9.272 0.812 -5.747 1.00 0.00 H new ATOM 0 HA CYS A 22 -7.702 0.516 -8.121 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -6.249 -0.751 -6.705 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -6.810 0.650 -5.814 1.00 0.00 H new ATOM 0 HG CYS A 22 -8.480 -0.701 -4.110 1.00 0.00 H new ATOM 362 N LYS A 23 -7.840 -2.013 -8.691 1.00 0.00 N ATOM 363 CA LYS A 23 -8.095 -3.315 -9.307 1.00 0.00 C ATOM 364 C LYS A 23 -7.275 -4.374 -8.588 1.00 0.00 C ATOM 365 O LYS A 23 -7.647 -5.543 -8.607 1.00 0.00 O ATOM 366 CB LYS A 23 -7.643 -3.300 -10.770 1.00 0.00 C ATOM 367 CG LYS A 23 -8.533 -2.572 -11.790 1.00 0.00 C ATOM 368 CD LYS A 23 -8.945 -1.151 -11.400 1.00 0.00 C ATOM 369 CE LYS A 23 -9.549 -0.356 -12.555 1.00 0.00 C ATOM 370 NZ LYS A 23 -10.904 -0.830 -12.894 1.00 0.00 N ATOM 0 H LYS A 23 -6.896 -1.670 -8.870 1.00 0.00 H new ATOM 0 HA LYS A 23 -9.162 -3.530 -9.242 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -6.652 -2.849 -10.809 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -7.536 -4.334 -11.098 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -8.006 -2.531 -12.744 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -9.435 -3.164 -11.949 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -9.668 -1.201 -10.586 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -8.073 -0.619 -11.020 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.589 0.700 -12.288 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -8.905 -0.439 -13.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.282 -0.267 -13.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -10.862 -1.831 -13.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -11.525 -0.727 -12.066 1.00 0.00 H new ATOM 384 N TYR A 24 -6.154 -4.005 -7.965 1.00 0.00 N ATOM 385 CA TYR A 24 -5.375 -4.928 -7.166 1.00 0.00 C ATOM 386 C TYR A 24 -4.493 -4.193 -6.166 1.00 0.00 C ATOM 387 O TYR A 24 -4.343 -2.973 -6.202 1.00 0.00 O ATOM 388 CB TYR A 24 -4.558 -5.873 -8.063 1.00 0.00 C ATOM 389 CG TYR A 24 -3.419 -5.280 -8.860 1.00 0.00 C ATOM 390 CD1 TYR A 24 -3.693 -4.518 -10.002 1.00 0.00 C ATOM 391 CD2 TYR A 24 -2.086 -5.562 -8.522 1.00 0.00 C ATOM 392 CE1 TYR A 24 -2.641 -3.957 -10.748 1.00 0.00 C ATOM 393 CE2 TYR A 24 -1.037 -5.061 -9.284 1.00 0.00 C ATOM 394 CZ TYR A 24 -1.301 -4.221 -10.388 1.00 0.00 C ATOM 395 OH TYR A 24 -0.284 -3.651 -11.088 1.00 0.00 O ATOM 0 H TYR A 24 -5.770 -3.061 -8.005 1.00 0.00 H new ATOM 0 HA TYR A 24 -6.068 -5.540 -6.588 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -4.150 -6.663 -7.433 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -5.245 -6.347 -8.763 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -4.716 -4.360 -10.311 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -1.873 -6.176 -7.659 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -2.858 -3.324 -11.596 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -0.018 -5.315 -9.031 1.00 0.00 H new ATOM 0 HH TYR A 24 -0.576 -2.786 -11.444 1.00 0.00 H new ATOM 405 N PHE A 25 -3.899 -4.975 -5.277 1.00 0.00 N ATOM 406 CA PHE A 25 -2.951 -4.602 -4.259 1.00 0.00 C ATOM 407 C PHE A 25 -1.646 -5.275 -4.628 1.00 0.00 C ATOM 408 O PHE A 25 -1.486 -6.492 -4.477 1.00 0.00 O ATOM 409 CB PHE A 25 -3.475 -5.043 -2.896 1.00 0.00 C ATOM 410 CG PHE A 25 -4.791 -4.386 -2.556 1.00 0.00 C ATOM 411 CD1 PHE A 25 -4.832 -3.002 -2.311 1.00 0.00 C ATOM 412 CD2 PHE A 25 -5.977 -5.143 -2.569 1.00 0.00 C ATOM 413 CE1 PHE A 25 -6.064 -2.380 -2.053 1.00 0.00 C ATOM 414 CE2 PHE A 25 -7.198 -4.527 -2.262 1.00 0.00 C ATOM 415 CZ PHE A 25 -7.242 -3.147 -2.011 1.00 0.00 C ATOM 0 H PHE A 25 -4.092 -5.976 -5.255 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.799 -3.524 -4.197 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -3.598 -6.126 -2.888 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -2.740 -4.800 -2.129 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -3.922 -2.421 -2.321 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -5.947 -6.194 -2.815 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -6.107 -1.314 -1.887 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -8.104 -5.114 -2.219 1.00 0.00 H new ATOM 0 HZ PHE A 25 -8.185 -2.672 -1.785 1.00 0.00 H new ATOM 425 N LEU A 26 -0.735 -4.489 -5.188 1.00 0.00 N ATOM 426 CA LEU A 26 0.625 -4.895 -5.463 1.00 0.00 C ATOM 427 C LEU A 26 1.381 -4.841 -4.143 1.00 0.00 C ATOM 428 O LEU A 26 1.786 -3.780 -3.661 1.00 0.00 O ATOM 429 CB LEU A 26 1.225 -4.015 -6.565 1.00 0.00 C ATOM 430 CG LEU A 26 2.544 -4.505 -7.203 1.00 0.00 C ATOM 431 CD1 LEU A 26 2.753 -6.023 -7.204 1.00 0.00 C ATOM 432 CD2 LEU A 26 2.556 -4.067 -8.670 1.00 0.00 C ATOM 0 H LEU A 26 -0.933 -3.528 -5.468 1.00 0.00 H new ATOM 0 HA LEU A 26 0.685 -5.912 -5.850 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.483 -3.908 -7.357 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.396 -3.021 -6.152 1.00 0.00 H new ATOM 0 HG LEU A 26 3.337 -4.072 -6.593 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.708 -6.259 -7.674 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.753 -6.391 -6.178 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.947 -6.501 -7.761 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.479 -4.402 -9.142 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.703 -4.506 -9.188 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.494 -2.980 -8.726 1.00 0.00 H new ATOM 444 N ILE A 27 1.494 -6.009 -3.520 1.00 0.00 N ATOM 445 CA ILE A 27 2.279 -6.210 -2.324 1.00 0.00 C ATOM 446 C ILE A 27 3.752 -6.077 -2.673 1.00 0.00 C ATOM 447 O ILE A 27 4.273 -6.796 -3.535 1.00 0.00 O ATOM 448 CB ILE A 27 1.980 -7.539 -1.600 1.00 0.00 C ATOM 449 CG1 ILE A 27 0.463 -7.799 -1.442 1.00 0.00 C ATOM 450 CG2 ILE A 27 2.676 -7.497 -0.234 1.00 0.00 C ATOM 451 CD1 ILE A 27 -0.327 -6.670 -0.790 1.00 0.00 C ATOM 0 H ILE A 27 1.029 -6.856 -3.846 1.00 0.00 H new ATOM 0 HA ILE A 27 1.997 -5.438 -1.608 1.00 0.00 H new ATOM 0 HB ILE A 27 2.361 -8.365 -2.200 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.040 -7.994 -2.427 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.326 -8.705 -0.851 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.482 -8.426 0.302 1.00 0.00 H new ATOM 0 HG22 ILE A 27 3.750 -7.378 -0.376 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.291 -6.657 0.345 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -1.378 -6.951 -0.726 1.00 0.00 H new ATOM 0 HD12 ILE A 27 0.061 -6.486 0.212 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.229 -5.765 -1.389 1.00 0.00 H new ATOM 463 N VAL A 28 4.408 -5.184 -1.950 1.00 0.00 N ATOM 464 CA VAL A 28 5.833 -4.965 -1.948 1.00 0.00 C ATOM 465 C VAL A 28 6.366 -5.667 -0.689 1.00 0.00 C ATOM 466 O VAL A 28 5.851 -5.434 0.406 1.00 0.00 O ATOM 467 CB VAL A 28 6.088 -3.440 -1.951 1.00 0.00 C ATOM 468 CG1 VAL A 28 7.569 -3.104 -2.120 1.00 0.00 C ATOM 469 CG2 VAL A 28 5.351 -2.684 -3.061 1.00 0.00 C ATOM 0 H VAL A 28 3.922 -4.556 -1.310 1.00 0.00 H new ATOM 0 HA VAL A 28 6.344 -5.370 -2.822 1.00 0.00 H new ATOM 0 HB VAL A 28 5.711 -3.122 -0.979 1.00 0.00 H new ATOM 0 HG11 VAL A 28 7.699 -2.022 -2.116 1.00 0.00 H new ATOM 0 HG12 VAL A 28 8.137 -3.541 -1.299 1.00 0.00 H new ATOM 0 HG13 VAL A 28 7.928 -3.509 -3.066 1.00 0.00 H new ATOM 0 HG21 VAL A 28 5.583 -1.621 -2.993 1.00 0.00 H new ATOM 0 HG22 VAL A 28 5.668 -3.064 -4.032 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.277 -2.829 -2.948 1.00 0.00 H new ATOM 479 N ARG A 29 7.365 -6.545 -0.819 1.00 0.00 N ATOM 480 CA ARG A 29 8.183 -7.071 0.274 1.00 0.00 C ATOM 481 C ARG A 29 9.570 -6.487 0.055 1.00 0.00 C ATOM 482 O ARG A 29 10.342 -6.994 -0.766 1.00 0.00 O ATOM 483 CB ARG A 29 8.280 -8.606 0.275 1.00 0.00 C ATOM 484 CG ARG A 29 7.217 -9.349 1.095 1.00 0.00 C ATOM 485 CD ARG A 29 5.925 -9.530 0.289 1.00 0.00 C ATOM 486 NE ARG A 29 5.077 -10.644 0.763 1.00 0.00 N ATOM 487 CZ ARG A 29 5.341 -11.955 0.654 1.00 0.00 C ATOM 488 NH1 ARG A 29 6.479 -12.394 0.145 1.00 0.00 N ATOM 489 NH2 ARG A 29 4.459 -12.863 1.041 1.00 0.00 N ATOM 0 H ARG A 29 7.636 -6.923 -1.727 1.00 0.00 H new ATOM 0 HA ARG A 29 7.736 -6.798 1.230 1.00 0.00 H new ATOM 0 HB2 ARG A 29 8.223 -8.954 -0.756 1.00 0.00 H new ATOM 0 HB3 ARG A 29 9.263 -8.887 0.652 1.00 0.00 H new ATOM 0 HG2 ARG A 29 7.601 -10.324 1.396 1.00 0.00 H new ATOM 0 HG3 ARG A 29 7.005 -8.794 2.009 1.00 0.00 H new ATOM 0 HD2 ARG A 29 5.350 -8.605 0.330 1.00 0.00 H new ATOM 0 HD3 ARG A 29 6.181 -9.700 -0.757 1.00 0.00 H new ATOM 0 HE ARG A 29 4.201 -10.390 1.220 1.00 0.00 H new ATOM 0 HH11 ARG A 29 7.183 -11.730 -0.177 1.00 0.00 H new ATOM 0 HH12 ARG A 29 6.653 -13.397 0.074 1.00 0.00 H new ATOM 0 HH21 ARG A 29 3.562 -12.570 1.429 1.00 0.00 H new ATOM 0 HH22 ARG A 29 4.676 -13.856 0.951 1.00 0.00 H new ATOM 503 N ILE A 30 9.851 -5.406 0.768 1.00 0.00 N ATOM 504 CA ILE A 30 11.211 -4.943 0.948 1.00 0.00 C ATOM 505 C ILE A 30 11.827 -5.837 2.028 1.00 0.00 C ATOM 506 O ILE A 30 11.128 -6.326 2.931 1.00 0.00 O ATOM 507 CB ILE A 30 11.173 -3.442 1.309 1.00 0.00 C ATOM 508 CG1 ILE A 30 10.852 -2.589 0.064 1.00 0.00 C ATOM 509 CG2 ILE A 30 12.464 -2.937 1.971 1.00 0.00 C ATOM 510 CD1 ILE A 30 10.068 -1.335 0.464 1.00 0.00 C ATOM 0 H ILE A 30 9.147 -4.833 1.233 1.00 0.00 H new ATOM 0 HA ILE A 30 11.828 -5.018 0.053 1.00 0.00 H new ATOM 0 HB ILE A 30 10.378 -3.333 2.047 1.00 0.00 H new ATOM 0 HG12 ILE A 30 11.777 -2.303 -0.437 1.00 0.00 H new ATOM 0 HG13 ILE A 30 10.272 -3.177 -0.648 1.00 0.00 H new ATOM 0 HG21 ILE A 30 12.366 -1.875 2.197 1.00 0.00 H new ATOM 0 HG22 ILE A 30 12.640 -3.490 2.894 1.00 0.00 H new ATOM 0 HG23 ILE A 30 13.304 -3.088 1.293 1.00 0.00 H new ATOM 0 HD11 ILE A 30 9.849 -0.744 -0.425 1.00 0.00 H new ATOM 0 HD12 ILE A 30 9.134 -1.627 0.944 1.00 0.00 H new ATOM 0 HD13 ILE A 30 10.662 -0.740 1.158 1.00 0.00 H new ATOM 522 N ASP A 31 13.137 -6.049 1.939 1.00 0.00 N ATOM 523 CA ASP A 31 13.927 -6.755 2.929 1.00 0.00 C ATOM 524 C ASP A 31 15.381 -6.308 2.816 1.00 0.00 C ATOM 525 O ASP A 31 15.920 -6.233 1.712 1.00 0.00 O ATOM 526 CB ASP A 31 13.849 -8.259 2.671 1.00 0.00 C ATOM 527 CG ASP A 31 14.327 -9.057 3.870 1.00 0.00 C ATOM 528 OD1 ASP A 31 14.113 -8.624 5.029 1.00 0.00 O ATOM 529 OD2 ASP A 31 14.928 -10.134 3.639 1.00 0.00 O ATOM 0 H ASP A 31 13.691 -5.721 1.148 1.00 0.00 H new ATOM 0 HA ASP A 31 13.543 -6.535 3.925 1.00 0.00 H new ATOM 0 HB2 ASP A 31 12.821 -8.536 2.435 1.00 0.00 H new ATOM 0 HB3 ASP A 31 14.454 -8.511 1.800 1.00 0.00 H new ATOM 534 N ASP A 32 16.015 -6.009 3.951 1.00 0.00 N ATOM 535 CA ASP A 32 17.318 -5.328 4.042 1.00 0.00 C ATOM 536 C ASP A 32 17.363 -4.100 3.115 1.00 0.00 C ATOM 537 O ASP A 32 18.313 -3.829 2.380 1.00 0.00 O ATOM 538 CB ASP A 32 18.453 -6.346 3.879 1.00 0.00 C ATOM 539 CG ASP A 32 19.800 -5.929 4.466 1.00 0.00 C ATOM 540 OD1 ASP A 32 20.125 -4.726 4.519 1.00 0.00 O ATOM 541 OD2 ASP A 32 20.532 -6.857 4.897 1.00 0.00 O ATOM 0 H ASP A 32 15.627 -6.240 4.866 1.00 0.00 H new ATOM 0 HA ASP A 32 17.466 -4.904 5.035 1.00 0.00 H new ATOM 0 HB2 ASP A 32 18.147 -7.282 4.346 1.00 0.00 H new ATOM 0 HB3 ASP A 32 18.586 -6.548 2.816 1.00 0.00 H new ATOM 546 N ASN A 33 16.267 -3.336 3.170 1.00 0.00 N ATOM 547 CA ASN A 33 15.960 -2.087 2.466 1.00 0.00 C ATOM 548 C ASN A 33 15.719 -2.240 0.955 1.00 0.00 C ATOM 549 O ASN A 33 15.120 -1.355 0.352 1.00 0.00 O ATOM 550 CB ASN A 33 17.030 -1.027 2.769 1.00 0.00 C ATOM 551 CG ASN A 33 16.501 0.379 2.929 1.00 0.00 C ATOM 552 OD1 ASN A 33 15.760 0.636 4.003 1.00 0.00 O flip ATOM 553 ND2 ASN A 33 16.853 1.255 2.159 1.00 0.00 N flip ATOM 0 H ASN A 33 15.491 -3.607 3.773 1.00 0.00 H new ATOM 0 HA ASN A 33 14.999 -1.752 2.857 1.00 0.00 H new ATOM 0 HB2 ASN A 33 17.553 -1.310 3.683 1.00 0.00 H new ATOM 0 HB3 ASN A 33 17.766 -1.034 1.965 1.00 0.00 H new ATOM 0 HD21 ASN A 33 17.421 1.020 1.345 1.00 0.00 H new ATOM 0 HD22 ASN A 33 16.579 2.223 2.328 1.00 0.00 H new ATOM 560 N GLU A 34 16.067 -3.378 0.355 1.00 0.00 N ATOM 561 CA GLU A 34 15.993 -3.662 -1.069 1.00 0.00 C ATOM 562 C GLU A 34 14.734 -4.486 -1.378 1.00 0.00 C ATOM 563 O GLU A 34 14.090 -5.015 -0.477 1.00 0.00 O ATOM 564 CB GLU A 34 17.312 -4.374 -1.406 1.00 0.00 C ATOM 565 CG GLU A 34 17.353 -5.100 -2.748 1.00 0.00 C ATOM 566 CD GLU A 34 18.761 -5.538 -3.150 1.00 0.00 C ATOM 567 OE1 GLU A 34 19.724 -4.765 -2.957 1.00 0.00 O ATOM 568 OE2 GLU A 34 18.909 -6.641 -3.721 1.00 0.00 O ATOM 0 H GLU A 34 16.429 -4.170 0.886 1.00 0.00 H new ATOM 0 HA GLU A 34 15.893 -2.771 -1.688 1.00 0.00 H new ATOM 0 HB2 GLU A 34 18.115 -3.637 -1.389 1.00 0.00 H new ATOM 0 HB3 GLU A 34 17.525 -5.096 -0.618 1.00 0.00 H new ATOM 0 HG2 GLU A 34 16.706 -5.976 -2.700 1.00 0.00 H new ATOM 0 HG3 GLU A 34 16.948 -4.446 -3.520 1.00 0.00 H new ATOM 575 N VAL A 35 14.347 -4.597 -2.650 1.00 0.00 N ATOM 576 CA VAL A 35 13.181 -5.353 -3.096 1.00 0.00 C ATOM 577 C VAL A 35 13.565 -6.762 -3.558 1.00 0.00 C ATOM 578 O VAL A 35 14.427 -6.930 -4.418 1.00 0.00 O ATOM 579 CB VAL A 35 12.434 -4.563 -4.183 1.00 0.00 C ATOM 580 CG1 VAL A 35 13.317 -3.949 -5.280 1.00 0.00 C ATOM 581 CG2 VAL A 35 11.320 -5.425 -4.789 1.00 0.00 C ATOM 0 H VAL A 35 14.851 -4.151 -3.417 1.00 0.00 H new ATOM 0 HA VAL A 35 12.504 -5.487 -2.252 1.00 0.00 H new ATOM 0 HB VAL A 35 12.008 -3.701 -3.670 1.00 0.00 H new ATOM 0 HG11 VAL A 35 12.691 -3.415 -5.994 1.00 0.00 H new ATOM 0 HG12 VAL A 35 14.027 -3.255 -4.830 1.00 0.00 H new ATOM 0 HG13 VAL A 35 13.861 -4.741 -5.795 1.00 0.00 H new ATOM 0 HG21 VAL A 35 10.797 -4.856 -5.558 1.00 0.00 H new ATOM 0 HG22 VAL A 35 11.754 -6.321 -5.233 1.00 0.00 H new ATOM 0 HG23 VAL A 35 10.616 -5.712 -4.008 1.00 0.00 H new ATOM 591 N LYS A 36 12.865 -7.782 -3.042 1.00 0.00 N ATOM 592 CA LYS A 36 13.123 -9.177 -3.413 1.00 0.00 C ATOM 593 C LYS A 36 12.141 -9.712 -4.441 1.00 0.00 C ATOM 594 O LYS A 36 12.532 -10.440 -5.354 1.00 0.00 O ATOM 595 CB LYS A 36 13.106 -10.066 -2.160 1.00 0.00 C ATOM 596 CG LYS A 36 14.152 -9.673 -1.107 1.00 0.00 C ATOM 597 CD LYS A 36 15.539 -9.490 -1.730 1.00 0.00 C ATOM 598 CE LYS A 36 16.650 -9.780 -0.731 1.00 0.00 C ATOM 599 NZ LYS A 36 17.663 -10.689 -1.284 1.00 0.00 N ATOM 0 H LYS A 36 12.113 -7.664 -2.363 1.00 0.00 H new ATOM 0 HA LYS A 36 14.109 -9.201 -3.877 1.00 0.00 H new ATOM 0 HB2 LYS A 36 12.115 -10.022 -1.708 1.00 0.00 H new ATOM 0 HB3 LYS A 36 13.275 -11.101 -2.458 1.00 0.00 H new ATOM 0 HG2 LYS A 36 13.847 -8.748 -0.618 1.00 0.00 H new ATOM 0 HG3 LYS A 36 14.198 -10.441 -0.335 1.00 0.00 H new ATOM 0 HD2 LYS A 36 15.641 -10.152 -2.590 1.00 0.00 H new ATOM 0 HD3 LYS A 36 15.640 -8.470 -2.100 1.00 0.00 H new ATOM 0 HE2 LYS A 36 17.125 -8.845 -0.435 1.00 0.00 H new ATOM 0 HE3 LYS A 36 16.222 -10.219 0.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 18.401 -10.860 -0.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 17.215 -11.591 -1.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 18.090 -10.260 -2.129 1.00 0.00 H new ATOM 613 N SER A 37 10.851 -9.444 -4.262 1.00 0.00 N ATOM 614 CA SER A 37 9.805 -9.952 -5.135 1.00 0.00 C ATOM 615 C SER A 37 8.542 -9.161 -4.851 1.00 0.00 C ATOM 616 O SER A 37 8.457 -8.471 -3.834 1.00 0.00 O ATOM 617 CB SER A 37 9.593 -11.443 -4.854 1.00 0.00 C ATOM 618 OG SER A 37 8.801 -12.052 -5.849 1.00 0.00 O ATOM 0 H SER A 37 10.502 -8.863 -3.500 1.00 0.00 H new ATOM 0 HA SER A 37 10.077 -9.841 -6.185 1.00 0.00 H new ATOM 0 HB2 SER A 37 10.559 -11.944 -4.800 1.00 0.00 H new ATOM 0 HB3 SER A 37 9.115 -11.566 -3.882 1.00 0.00 H new ATOM 0 HG SER A 37 8.687 -13.003 -5.640 1.00 0.00 H new ATOM 624 N THR A 38 7.555 -9.274 -5.719 1.00 0.00 N ATOM 625 CA THR A 38 6.329 -8.498 -5.720 1.00 0.00 C ATOM 626 C THR A 38 5.142 -9.481 -5.723 1.00 0.00 C ATOM 627 O THR A 38 5.278 -10.672 -6.034 1.00 0.00 O ATOM 628 CB THR A 38 6.334 -7.564 -6.950 1.00 0.00 C ATOM 629 OG1 THR A 38 7.159 -8.048 -8.011 1.00 0.00 O ATOM 630 CG2 THR A 38 6.830 -6.178 -6.533 1.00 0.00 C ATOM 0 H THR A 38 7.589 -9.947 -6.485 1.00 0.00 H new ATOM 0 HA THR A 38 6.242 -7.868 -4.835 1.00 0.00 H new ATOM 0 HB THR A 38 5.310 -7.521 -7.322 1.00 0.00 H new ATOM 0 HG1 THR A 38 7.125 -7.421 -8.764 1.00 0.00 H new ATOM 0 HG21 THR A 38 6.834 -5.517 -7.400 1.00 0.00 H new ATOM 0 HG22 THR A 38 6.169 -5.770 -5.769 1.00 0.00 H new ATOM 0 HG23 THR A 38 7.841 -6.258 -6.133 1.00 0.00 H new ATOM 638 N LYS A 39 3.948 -9.017 -5.360 1.00 0.00 N ATOM 639 CA LYS A 39 2.770 -9.869 -5.334 1.00 0.00 C ATOM 640 C LYS A 39 1.566 -9.084 -5.792 1.00 0.00 C ATOM 641 O LYS A 39 1.351 -8.013 -5.319 1.00 0.00 O ATOM 642 CB LYS A 39 2.433 -10.293 -3.896 1.00 0.00 C ATOM 643 CG LYS A 39 2.322 -11.805 -3.773 1.00 0.00 C ATOM 644 CD LYS A 39 3.631 -12.357 -3.209 1.00 0.00 C ATOM 645 CE LYS A 39 4.027 -13.636 -3.955 1.00 0.00 C ATOM 646 NZ LYS A 39 3.145 -14.782 -3.627 1.00 0.00 N ATOM 0 H LYS A 39 3.775 -8.052 -5.080 1.00 0.00 H new ATOM 0 HA LYS A 39 2.984 -10.728 -5.970 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.204 -9.927 -3.217 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.494 -9.832 -3.590 1.00 0.00 H new ATOM 0 HG2 LYS A 39 1.490 -12.069 -3.120 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.116 -12.248 -4.747 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.420 -11.612 -3.305 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.518 -12.567 -2.145 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.993 -13.452 -5.029 1.00 0.00 H new ATOM 0 HE3 LYS A 39 5.057 -13.892 -3.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.455 -15.621 -4.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.196 -14.978 -2.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.165 -14.551 -3.887 1.00 0.00 H new ATOM 660 N VAL A 40 0.676 -9.688 -6.555 1.00 0.00 N ATOM 661 CA VAL A 40 -0.663 -9.204 -6.720 1.00 0.00 C ATOM 662 C VAL A 40 -1.736 -10.031 -6.034 1.00 0.00 C ATOM 663 O VAL A 40 -1.846 -11.246 -6.228 1.00 0.00 O ATOM 664 CB VAL A 40 -0.830 -8.695 -8.128 1.00 0.00 C ATOM 665 CG1 VAL A 40 -0.289 -9.392 -9.339 1.00 0.00 C ATOM 666 CG2 VAL A 40 -2.337 -8.610 -8.428 1.00 0.00 C ATOM 0 H VAL A 40 0.874 -10.539 -7.081 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.854 -8.315 -6.119 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.220 -7.796 -8.046 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.545 -8.821 -10.232 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.795 -9.473 -9.258 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.723 -10.389 -9.409 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.486 -8.243 -9.444 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.784 -9.599 -8.330 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.810 -7.927 -7.723 1.00 0.00 H new ATOM 676 N ILE A 41 -2.508 -9.332 -5.202 1.00 0.00 N ATOM 677 CA ILE A 41 -3.781 -9.709 -4.614 1.00 0.00 C ATOM 678 C ILE A 41 -4.796 -8.832 -5.351 1.00 0.00 C ATOM 679 O ILE A 41 -4.705 -7.615 -5.242 1.00 0.00 O ATOM 680 CB ILE A 41 -3.758 -9.389 -3.105 1.00 0.00 C ATOM 681 CG1 ILE A 41 -2.584 -10.054 -2.356 1.00 0.00 C ATOM 682 CG2 ILE A 41 -5.080 -9.840 -2.503 1.00 0.00 C ATOM 683 CD1 ILE A 41 -2.602 -9.698 -0.864 1.00 0.00 C ATOM 0 H ILE A 41 -2.225 -8.400 -4.898 1.00 0.00 H new ATOM 0 HA ILE A 41 -4.014 -10.770 -4.707 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.616 -8.314 -2.993 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -2.640 -11.136 -2.475 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.640 -9.734 -2.797 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.086 -9.623 -1.435 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.900 -9.308 -2.986 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -5.203 -10.912 -2.656 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.763 -10.182 -0.364 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.520 -8.617 -0.747 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.536 -10.042 -0.419 1.00 0.00 H new ATOM 695 N PHE A 42 -5.684 -9.392 -6.169 1.00 0.00 N ATOM 696 CA PHE A 42 -6.729 -8.619 -6.840 1.00 0.00 C ATOM 697 C PHE A 42 -7.622 -7.922 -5.801 1.00 0.00 C ATOM 698 O PHE A 42 -7.755 -8.391 -4.669 1.00 0.00 O ATOM 699 CB PHE A 42 -7.568 -9.564 -7.714 1.00 0.00 C ATOM 700 CG PHE A 42 -6.936 -9.932 -9.042 1.00 0.00 C ATOM 701 CD1 PHE A 42 -6.628 -8.914 -9.963 1.00 0.00 C ATOM 702 CD2 PHE A 42 -6.721 -11.278 -9.399 1.00 0.00 C ATOM 703 CE1 PHE A 42 -6.130 -9.237 -11.235 1.00 0.00 C ATOM 704 CE2 PHE A 42 -6.246 -11.601 -10.685 1.00 0.00 C ATOM 705 CZ PHE A 42 -5.980 -10.582 -11.617 1.00 0.00 C ATOM 0 H PHE A 42 -5.701 -10.389 -6.385 1.00 0.00 H new ATOM 0 HA PHE A 42 -6.272 -7.854 -7.467 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -7.761 -10.479 -7.154 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -8.534 -9.097 -7.905 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -6.775 -7.879 -9.690 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -6.921 -12.063 -8.685 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -5.861 -8.449 -11.923 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -6.086 -12.634 -10.956 1.00 0.00 H new ATOM 0 HZ PHE A 42 -5.663 -10.831 -12.619 1.00 0.00 H new ATOM 715 N ASN A 43 -8.261 -6.815 -6.175 1.00 0.00 N ATOM 716 CA ASN A 43 -9.160 -6.076 -5.298 1.00 0.00 C ATOM 717 C ASN A 43 -10.514 -6.784 -5.324 1.00 0.00 C ATOM 718 O ASN A 43 -11.371 -6.470 -6.150 1.00 0.00 O ATOM 719 CB ASN A 43 -9.265 -4.602 -5.729 1.00 0.00 C ATOM 720 CG ASN A 43 -10.397 -3.895 -4.985 1.00 0.00 C ATOM 721 OD1 ASN A 43 -10.645 -4.160 -3.810 1.00 0.00 O ATOM 722 ND2 ASN A 43 -11.125 -3.012 -5.650 1.00 0.00 N ATOM 0 H ASN A 43 -8.167 -6.404 -7.104 1.00 0.00 H new ATOM 0 HA ASN A 43 -8.777 -6.061 -4.278 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -8.321 -4.093 -5.532 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -9.439 -4.545 -6.803 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -11.903 -2.541 -5.188 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -10.908 -2.802 -6.624 1.00 0.00 H new ATOM 729 N ASP A 44 -10.680 -7.797 -4.473 1.00 0.00 N ATOM 730 CA ASP A 44 -11.869 -8.637 -4.419 1.00 0.00 C ATOM 731 C ASP A 44 -12.028 -9.190 -3.002 1.00 0.00 C ATOM 732 O ASP A 44 -11.136 -9.028 -2.160 1.00 0.00 O ATOM 733 CB ASP A 44 -11.703 -9.790 -5.415 1.00 0.00 C ATOM 734 CG ASP A 44 -13.038 -10.223 -6.005 1.00 0.00 C ATOM 735 OD1 ASP A 44 -13.870 -10.871 -5.321 1.00 0.00 O ATOM 736 OD2 ASP A 44 -13.243 -9.965 -7.206 1.00 0.00 O ATOM 0 H ASP A 44 -9.972 -8.060 -3.787 1.00 0.00 H new ATOM 0 HA ASP A 44 -12.755 -8.057 -4.678 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -11.033 -9.483 -6.218 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -11.234 -10.638 -4.915 1.00 0.00 H new ATOM 741 N GLU A 45 -13.114 -9.913 -2.728 1.00 0.00 N ATOM 742 CA GLU A 45 -13.376 -10.582 -1.461 1.00 0.00 C ATOM 743 C GLU A 45 -12.192 -11.466 -1.067 1.00 0.00 C ATOM 744 O GLU A 45 -11.662 -11.327 0.040 1.00 0.00 O ATOM 745 CB GLU A 45 -14.692 -11.378 -1.543 1.00 0.00 C ATOM 746 CG GLU A 45 -14.886 -12.275 -0.305 1.00 0.00 C ATOM 747 CD GLU A 45 -16.304 -12.841 -0.188 1.00 0.00 C ATOM 748 OE1 GLU A 45 -16.887 -13.251 -1.222 1.00 0.00 O ATOM 749 OE2 GLU A 45 -16.809 -12.831 0.960 1.00 0.00 O ATOM 0 H GLU A 45 -13.860 -10.052 -3.409 1.00 0.00 H new ATOM 0 HA GLU A 45 -13.493 -9.834 -0.677 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -15.531 -10.688 -1.629 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -14.691 -11.993 -2.443 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -14.175 -13.100 -0.347 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -14.656 -11.700 0.592 1.00 0.00 H new ATOM 756 N SER A 46 -11.752 -12.342 -1.977 1.00 0.00 N ATOM 757 CA SER A 46 -10.657 -13.277 -1.712 1.00 0.00 C ATOM 758 C SER A 46 -9.302 -12.562 -1.765 1.00 0.00 C ATOM 759 O SER A 46 -8.274 -13.142 -1.423 1.00 0.00 O ATOM 760 CB SER A 46 -10.708 -14.448 -2.706 1.00 0.00 C ATOM 761 OG SER A 46 -10.456 -15.713 -2.109 1.00 0.00 O ATOM 0 H SER A 46 -12.145 -12.421 -2.915 1.00 0.00 H new ATOM 0 HA SER A 46 -10.777 -13.677 -0.705 1.00 0.00 H new ATOM 0 HB2 SER A 46 -11.689 -14.469 -3.180 1.00 0.00 H new ATOM 0 HB3 SER A 46 -9.976 -14.276 -3.495 1.00 0.00 H new ATOM 0 HG SER A 46 -10.505 -16.413 -2.793 1.00 0.00 H new ATOM 767 N GLY A 47 -9.304 -11.289 -2.146 1.00 0.00 N ATOM 768 CA GLY A 47 -8.160 -10.429 -2.133 1.00 0.00 C ATOM 769 C GLY A 47 -7.944 -9.911 -0.725 1.00 0.00 C ATOM 770 O GLY A 47 -7.009 -10.319 -0.037 1.00 0.00 O ATOM 0 H GLY A 47 -10.146 -10.823 -2.484 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.278 -10.972 -2.473 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.308 -9.597 -2.821 1.00 0.00 H new ATOM 774 N LYS A 48 -8.847 -9.041 -0.263 1.00 0.00 N ATOM 775 CA LYS A 48 -8.779 -8.451 1.074 1.00 0.00 C ATOM 776 C LYS A 48 -8.723 -9.546 2.141 1.00 0.00 C ATOM 777 O LYS A 48 -8.073 -9.328 3.163 1.00 0.00 O ATOM 778 CB LYS A 48 -9.989 -7.523 1.280 1.00 0.00 C ATOM 779 CG LYS A 48 -9.846 -6.191 0.515 1.00 0.00 C ATOM 780 CD LYS A 48 -11.050 -5.830 -0.375 1.00 0.00 C ATOM 781 CE LYS A 48 -12.331 -5.535 0.416 1.00 0.00 C ATOM 782 NZ LYS A 48 -12.459 -4.098 0.706 1.00 0.00 N ATOM 0 H LYS A 48 -9.649 -8.726 -0.810 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.868 -7.861 1.169 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -10.894 -8.033 0.950 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.108 -7.317 2.344 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.690 -5.388 1.236 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.952 -6.239 -0.107 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -10.797 -4.958 -0.979 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.240 -6.652 -1.065 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -13.198 -5.873 -0.152 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -12.323 -6.098 1.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -13.334 -3.929 1.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -11.643 -3.783 1.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -12.491 -3.565 -0.187 1.00 0.00 H new ATOM 796 N LYS A 49 -9.300 -10.743 1.914 1.00 0.00 N ATOM 797 CA LYS A 49 -9.199 -11.848 2.869 1.00 0.00 C ATOM 798 C LYS A 49 -7.736 -12.162 3.195 1.00 0.00 C ATOM 799 O LYS A 49 -7.470 -12.544 4.332 1.00 0.00 O ATOM 800 CB LYS A 49 -10.001 -13.096 2.444 1.00 0.00 C ATOM 801 CG LYS A 49 -9.161 -14.144 1.719 1.00 0.00 C ATOM 802 CD LYS A 49 -9.951 -15.331 1.138 1.00 0.00 C ATOM 803 CE LYS A 49 -10.153 -16.529 2.073 1.00 0.00 C ATOM 804 NZ LYS A 49 -9.158 -17.601 1.850 1.00 0.00 N ATOM 0 H LYS A 49 -9.839 -10.962 1.076 1.00 0.00 H new ATOM 0 HA LYS A 49 -9.672 -11.514 3.792 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -10.448 -13.549 3.329 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -10.821 -12.787 1.795 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -8.621 -13.656 0.908 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -8.414 -14.530 2.412 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -10.931 -14.971 0.825 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -9.438 -15.678 0.241 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -10.092 -16.192 3.108 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -11.155 -16.933 1.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -9.340 -18.386 2.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -9.232 -17.945 0.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -8.202 -17.227 2.014 1.00 0.00 H new ATOM 818 N SER A 50 -6.827 -12.028 2.228 1.00 0.00 N ATOM 819 CA SER A 50 -5.416 -12.360 2.335 1.00 0.00 C ATOM 820 C SER A 50 -4.568 -11.205 2.875 1.00 0.00 C ATOM 821 O SER A 50 -3.538 -11.510 3.465 1.00 0.00 O ATOM 822 CB SER A 50 -4.901 -12.825 0.967 1.00 0.00 C ATOM 823 OG SER A 50 -5.439 -14.097 0.667 1.00 0.00 O ATOM 0 H SER A 50 -7.073 -11.667 1.306 1.00 0.00 H new ATOM 0 HA SER A 50 -5.320 -13.166 3.062 1.00 0.00 H new ATOM 0 HB2 SER A 50 -5.185 -12.108 0.197 1.00 0.00 H new ATOM 0 HB3 SER A 50 -3.812 -12.872 0.973 1.00 0.00 H new ATOM 0 HG SER A 50 -5.111 -14.393 -0.208 1.00 0.00 H new ATOM 829 N ILE A 51 -4.968 -9.932 2.757 1.00 0.00 N ATOM 830 CA ILE A 51 -4.266 -8.806 3.398 1.00 0.00 C ATOM 831 C ILE A 51 -4.337 -8.964 4.924 1.00 0.00 C ATOM 832 O ILE A 51 -3.415 -8.615 5.661 1.00 0.00 O ATOM 833 CB ILE A 51 -4.892 -7.459 2.935 1.00 0.00 C ATOM 834 CG1 ILE A 51 -4.853 -7.311 1.396 1.00 0.00 C ATOM 835 CG2 ILE A 51 -4.224 -6.236 3.581 1.00 0.00 C ATOM 836 CD1 ILE A 51 -5.496 -6.005 0.888 1.00 0.00 C ATOM 0 H ILE A 51 -5.786 -9.651 2.216 1.00 0.00 H new ATOM 0 HA ILE A 51 -3.217 -8.805 3.102 1.00 0.00 H new ATOM 0 HB ILE A 51 -5.929 -7.490 3.268 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.816 -7.351 1.061 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -5.367 -8.160 0.944 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -4.703 -5.326 3.219 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -4.328 -6.295 4.664 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -3.166 -6.218 3.318 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.433 -5.968 -0.200 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -6.542 -5.972 1.193 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -4.968 -5.151 1.311 1.00 0.00 H new ATOM 848 N VAL A 52 -5.401 -9.572 5.439 1.00 0.00 N ATOM 849 CA VAL A 52 -5.495 -9.879 6.870 1.00 0.00 C ATOM 850 C VAL A 52 -4.573 -11.043 7.252 1.00 0.00 C ATOM 851 O VAL A 52 -4.506 -11.411 8.428 1.00 0.00 O ATOM 852 CB VAL A 52 -6.970 -10.106 7.264 1.00 0.00 C ATOM 853 CG1 VAL A 52 -7.204 -10.114 8.779 1.00 0.00 C ATOM 854 CG2 VAL A 52 -7.810 -8.957 6.699 1.00 0.00 C ATOM 0 H VAL A 52 -6.211 -9.863 4.892 1.00 0.00 H new ATOM 0 HA VAL A 52 -5.140 -9.025 7.447 1.00 0.00 H new ATOM 0 HB VAL A 52 -7.248 -11.082 6.866 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -8.262 -10.278 8.983 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.618 -10.913 9.233 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.898 -9.156 9.199 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -8.856 -9.104 6.969 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -7.458 -8.012 7.111 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -7.715 -8.937 5.613 1.00 0.00 H new ATOM 864 N LYS A 53 -3.881 -11.670 6.289 1.00 0.00 N ATOM 865 CA LYS A 53 -2.907 -12.699 6.544 1.00 0.00 C ATOM 866 C LYS A 53 -1.499 -12.166 6.221 1.00 0.00 C ATOM 867 O LYS A 53 -0.573 -12.933 5.963 1.00 0.00 O ATOM 868 CB LYS A 53 -3.240 -13.997 5.780 1.00 0.00 C ATOM 869 CG LYS A 53 -4.381 -14.813 6.405 1.00 0.00 C ATOM 870 CD LYS A 53 -5.757 -14.399 5.882 1.00 0.00 C ATOM 871 CE LYS A 53 -6.875 -15.216 6.528 1.00 0.00 C ATOM 872 NZ LYS A 53 -8.118 -15.148 5.731 1.00 0.00 N ATOM 0 H LYS A 53 -3.998 -11.460 5.298 1.00 0.00 H new ATOM 0 HA LYS A 53 -2.933 -12.962 7.601 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -3.507 -13.744 4.754 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.346 -14.619 5.733 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -4.221 -15.871 6.198 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -4.357 -14.693 7.488 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -5.919 -13.340 6.081 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -5.790 -14.529 4.800 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -6.559 -16.255 6.626 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -7.065 -14.844 7.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -8.939 -15.137 6.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -8.115 -14.281 5.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -8.176 -15.977 5.106 1.00 0.00 H new ATOM 886 N GLU A 54 -1.272 -10.852 6.208 1.00 0.00 N ATOM 887 CA GLU A 54 0.023 -10.262 5.978 1.00 0.00 C ATOM 888 C GLU A 54 0.268 -9.079 6.919 1.00 0.00 C ATOM 889 O GLU A 54 -0.619 -8.294 7.258 1.00 0.00 O ATOM 890 CB GLU A 54 0.080 -9.857 4.491 1.00 0.00 C ATOM 891 CG GLU A 54 -1.082 -9.163 3.894 1.00 0.00 C ATOM 892 CD GLU A 54 -0.755 -8.855 2.422 1.00 0.00 C ATOM 893 OE1 GLU A 54 -0.193 -9.696 1.673 1.00 0.00 O ATOM 894 OE2 GLU A 54 -1.025 -7.717 2.013 1.00 0.00 O ATOM 0 H GLU A 54 -2.008 -10.163 6.362 1.00 0.00 H new ATOM 0 HA GLU A 54 0.820 -10.973 6.194 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.951 -9.216 4.357 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.258 -10.762 3.910 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -1.973 -9.786 3.963 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.295 -8.242 4.437 1.00 0.00 H new ATOM 901 N ASN A 55 1.521 -8.935 7.334 1.00 0.00 N ATOM 902 CA ASN A 55 1.965 -7.885 8.245 1.00 0.00 C ATOM 903 C ASN A 55 2.291 -6.640 7.455 1.00 0.00 C ATOM 904 O ASN A 55 3.461 -6.262 7.385 1.00 0.00 O ATOM 905 CB ASN A 55 3.185 -8.340 9.070 1.00 0.00 C ATOM 906 CG ASN A 55 2.847 -9.571 9.874 1.00 0.00 C ATOM 907 OD1 ASN A 55 1.827 -9.607 10.558 1.00 0.00 O ATOM 908 ND2 ASN A 55 3.619 -10.630 9.726 1.00 0.00 N ATOM 0 H ASN A 55 2.273 -9.558 7.041 1.00 0.00 H new ATOM 0 HA ASN A 55 1.160 -7.667 8.946 1.00 0.00 H new ATOM 0 HB2 ASN A 55 4.023 -8.551 8.406 1.00 0.00 H new ATOM 0 HB3 ASN A 55 3.501 -7.538 9.737 1.00 0.00 H new ATOM 0 HD21 ASN A 55 3.375 -11.507 10.185 1.00 0.00 H new ATOM 0 HD22 ASN A 55 4.460 -10.572 9.152 1.00 0.00 H new ATOM 915 N VAL A 56 1.290 -6.076 6.784 1.00 0.00 N ATOM 916 CA VAL A 56 1.516 -4.852 6.046 1.00 0.00 C ATOM 917 C VAL A 56 1.853 -3.795 7.111 1.00 0.00 C ATOM 918 O VAL A 56 1.193 -3.727 8.149 1.00 0.00 O ATOM 919 CB VAL A 56 0.278 -4.435 5.223 1.00 0.00 C ATOM 920 CG1 VAL A 56 0.731 -3.617 4.025 1.00 0.00 C ATOM 921 CG2 VAL A 56 -0.673 -5.547 4.781 1.00 0.00 C ATOM 0 H VAL A 56 0.339 -6.442 6.740 1.00 0.00 H new ATOM 0 HA VAL A 56 2.319 -4.973 5.319 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.329 -3.851 5.915 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.138 -3.319 3.439 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.259 -2.728 4.370 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.398 -4.217 3.406 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -1.497 -5.116 4.213 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.134 -6.259 4.156 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.066 -6.060 5.659 1.00 0.00 H new ATOM 931 N ASN A 57 2.883 -3.006 6.849 1.00 0.00 N ATOM 932 CA ASN A 57 3.225 -1.805 7.593 1.00 0.00 C ATOM 933 C ASN A 57 2.261 -0.717 7.124 1.00 0.00 C ATOM 934 O ASN A 57 1.598 -0.065 7.930 1.00 0.00 O ATOM 935 CB ASN A 57 4.690 -1.422 7.296 1.00 0.00 C ATOM 936 CG ASN A 57 5.420 -0.819 8.495 1.00 0.00 C ATOM 937 OD1 ASN A 57 5.378 0.381 8.737 1.00 0.00 O ATOM 938 ND2 ASN A 57 6.165 -1.631 9.227 1.00 0.00 N ATOM 0 H ASN A 57 3.529 -3.193 6.082 1.00 0.00 H new ATOM 0 HA ASN A 57 3.137 -1.948 8.670 1.00 0.00 H new ATOM 0 HB2 ASN A 57 5.228 -2.309 6.962 1.00 0.00 H new ATOM 0 HB3 ASN A 57 4.710 -0.708 6.472 1.00 0.00 H new ATOM 0 HD21 ASN A 57 6.713 -1.260 10.003 1.00 0.00 H new ATOM 0 HD22 ASN A 57 6.191 -2.628 9.015 1.00 0.00 H new ATOM 945 N ALA A 58 2.120 -0.574 5.795 1.00 0.00 N ATOM 946 CA ALA A 58 1.381 0.516 5.187 1.00 0.00 C ATOM 947 C ALA A 58 0.654 0.138 3.902 1.00 0.00 C ATOM 948 O ALA A 58 1.069 -0.768 3.186 1.00 0.00 O ATOM 949 CB ALA A 58 2.351 1.662 4.894 1.00 0.00 C ATOM 0 H ALA A 58 2.523 -1.223 5.119 1.00 0.00 H new ATOM 0 HA ALA A 58 0.609 0.806 5.900 1.00 0.00 H new ATOM 0 HB1 ALA A 58 1.809 2.489 4.436 1.00 0.00 H new ATOM 0 HB2 ALA A 58 2.808 1.998 5.824 1.00 0.00 H new ATOM 0 HB3 ALA A 58 3.128 1.316 4.212 1.00 0.00 H new ATOM 955 N ILE A 59 -0.388 0.884 3.549 1.00 0.00 N ATOM 956 CA ILE A 59 -1.008 0.843 2.230 1.00 0.00 C ATOM 957 C ILE A 59 -0.656 2.190 1.591 1.00 0.00 C ATOM 958 O ILE A 59 -0.740 3.219 2.257 1.00 0.00 O ATOM 959 CB ILE A 59 -2.527 0.593 2.372 1.00 0.00 C ATOM 960 CG1 ILE A 59 -2.773 -0.796 3.002 1.00 0.00 C ATOM 961 CG2 ILE A 59 -3.293 0.692 1.039 1.00 0.00 C ATOM 962 CD1 ILE A 59 -4.235 -1.107 3.344 1.00 0.00 C ATOM 0 H ILE A 59 -0.833 1.546 4.184 1.00 0.00 H new ATOM 0 HA ILE A 59 -0.651 0.030 1.598 1.00 0.00 H new ATOM 0 HB ILE A 59 -2.910 1.384 3.017 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -2.407 -1.559 2.315 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -2.179 -0.875 3.912 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -4.353 0.505 1.214 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -3.165 1.689 0.619 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -2.905 -0.049 0.340 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -4.303 -2.104 3.780 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -4.606 -0.372 4.058 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -4.837 -1.067 2.437 1.00 0.00 H new ATOM 974 N ILE A 60 -0.273 2.201 0.318 1.00 0.00 N ATOM 975 CA ILE A 60 -0.058 3.410 -0.460 1.00 0.00 C ATOM 976 C ILE A 60 -1.189 3.489 -1.476 1.00 0.00 C ATOM 977 O ILE A 60 -1.395 2.550 -2.252 1.00 0.00 O ATOM 978 CB ILE A 60 1.354 3.408 -1.087 1.00 0.00 C ATOM 979 CG1 ILE A 60 2.377 3.476 0.065 1.00 0.00 C ATOM 980 CG2 ILE A 60 1.478 4.600 -2.045 1.00 0.00 C ATOM 981 CD1 ILE A 60 3.850 3.528 -0.346 1.00 0.00 C ATOM 0 H ILE A 60 -0.100 1.347 -0.212 1.00 0.00 H new ATOM 0 HA ILE A 60 -0.085 4.307 0.158 1.00 0.00 H new ATOM 0 HB ILE A 60 1.541 2.505 -1.668 1.00 0.00 H new ATOM 0 HG12 ILE A 60 2.157 4.357 0.667 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.230 2.607 0.706 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.472 4.606 -2.492 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.727 4.515 -2.831 1.00 0.00 H new ATOM 0 HG23 ILE A 60 1.323 5.527 -1.494 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.475 3.574 0.546 1.00 0.00 H new ATOM 0 HD12 ILE A 60 4.100 2.635 -0.919 1.00 0.00 H new ATOM 0 HD13 ILE A 60 4.026 4.413 -0.958 1.00 0.00 H new ATOM 993 N CYS A 61 -1.919 4.605 -1.471 1.00 0.00 N ATOM 994 CA CYS A 61 -3.005 4.869 -2.404 1.00 0.00 C ATOM 995 C CYS A 61 -3.077 6.368 -2.712 1.00 0.00 C ATOM 996 O CYS A 61 -2.468 7.191 -2.025 1.00 0.00 O ATOM 997 CB CYS A 61 -4.329 4.357 -1.808 1.00 0.00 C ATOM 998 SG CYS A 61 -4.724 5.183 -0.244 1.00 0.00 S ATOM 0 H CYS A 61 -1.766 5.362 -0.805 1.00 0.00 H new ATOM 0 HA CYS A 61 -2.823 4.343 -3.341 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -5.137 4.522 -2.521 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -4.263 3.281 -1.645 1.00 0.00 H new ATOM 0 HG CYS A 61 -5.933 5.657 -0.297 1.00 0.00 H new ATOM 1004 N LYS A 62 -3.845 6.749 -3.735 1.00 0.00 N ATOM 1005 CA LYS A 62 -4.207 8.149 -3.956 1.00 0.00 C ATOM 1006 C LYS A 62 -5.361 8.594 -3.050 1.00 0.00 C ATOM 1007 O LYS A 62 -5.425 9.763 -2.693 1.00 0.00 O ATOM 1008 CB LYS A 62 -4.607 8.356 -5.422 1.00 0.00 C ATOM 1009 CG LYS A 62 -3.435 8.553 -6.395 1.00 0.00 C ATOM 1010 CD LYS A 62 -3.972 9.216 -7.674 1.00 0.00 C ATOM 1011 CE LYS A 62 -2.943 9.402 -8.792 1.00 0.00 C ATOM 1012 NZ LYS A 62 -1.825 10.304 -8.438 1.00 0.00 N ATOM 0 H LYS A 62 -4.229 6.104 -4.425 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.334 8.755 -3.712 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -5.189 7.495 -5.749 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -5.261 9.226 -5.485 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.665 9.176 -5.940 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -2.972 7.595 -6.630 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -4.797 8.615 -8.057 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -4.383 10.192 -7.414 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -2.538 8.428 -9.064 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -3.448 9.795 -9.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -1.217 10.447 -9.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -2.204 11.220 -8.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -1.266 9.880 -7.670 1.00 0.00 H new ATOM 1026 N ASN A 63 -6.303 7.712 -2.705 1.00 0.00 N ATOM 1027 CA ASN A 63 -7.535 8.090 -1.999 1.00 0.00 C ATOM 1028 C ASN A 63 -8.084 6.884 -1.247 1.00 0.00 C ATOM 1029 O ASN A 63 -7.561 5.783 -1.407 1.00 0.00 O ATOM 1030 CB ASN A 63 -8.577 8.611 -3.006 1.00 0.00 C ATOM 1031 CG ASN A 63 -8.557 10.124 -3.070 1.00 0.00 C ATOM 1032 OD1 ASN A 63 -8.910 10.785 -2.098 1.00 0.00 O ATOM 1033 ND2 ASN A 63 -8.113 10.695 -4.176 1.00 0.00 N ATOM 0 H ASN A 63 -6.235 6.714 -2.906 1.00 0.00 H new ATOM 0 HA ASN A 63 -7.314 8.882 -1.284 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -8.372 8.198 -3.994 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -9.571 8.268 -2.717 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -8.057 11.712 -4.238 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -7.827 10.119 -4.968 1.00 0.00 H new ATOM 1040 N ILE A 64 -9.133 7.050 -0.438 1.00 0.00 N ATOM 1041 CA ILE A 64 -9.780 5.977 0.325 1.00 0.00 C ATOM 1042 C ILE A 64 -11.141 6.487 0.821 1.00 0.00 C ATOM 1043 O ILE A 64 -11.321 7.691 1.020 1.00 0.00 O ATOM 1044 CB ILE A 64 -8.836 5.542 1.485 1.00 0.00 C ATOM 1045 CG1 ILE A 64 -9.246 4.281 2.279 1.00 0.00 C ATOM 1046 CG2 ILE A 64 -8.661 6.701 2.463 1.00 0.00 C ATOM 1047 CD1 ILE A 64 -8.126 3.752 3.200 1.00 0.00 C ATOM 0 H ILE A 64 -9.569 7.960 -0.291 1.00 0.00 H new ATOM 0 HA ILE A 64 -9.961 5.096 -0.290 1.00 0.00 H new ATOM 0 HB ILE A 64 -7.908 5.269 0.983 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -10.126 4.509 2.881 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -9.533 3.496 1.579 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -8.000 6.396 3.274 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -8.226 7.554 1.942 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -9.632 6.982 2.872 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -8.478 2.866 3.729 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -7.253 3.494 2.600 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -7.855 4.522 3.922 1.00 0.00 H new ATOM 1059 N SER A 65 -12.066 5.563 1.059 1.00 0.00 N ATOM 1060 CA SER A 65 -13.335 5.834 1.741 1.00 0.00 C ATOM 1061 C SER A 65 -13.176 5.864 3.269 1.00 0.00 C ATOM 1062 O SER A 65 -12.318 5.158 3.803 1.00 0.00 O ATOM 1063 CB SER A 65 -14.341 4.756 1.335 1.00 0.00 C ATOM 1064 OG SER A 65 -14.604 4.786 -0.051 1.00 0.00 O ATOM 0 H SER A 65 -11.957 4.588 0.781 1.00 0.00 H new ATOM 0 HA SER A 65 -13.688 6.821 1.442 1.00 0.00 H new ATOM 0 HB2 SER A 65 -13.955 3.775 1.611 1.00 0.00 H new ATOM 0 HB3 SER A 65 -15.271 4.899 1.885 1.00 0.00 H new ATOM 0 HG SER A 65 -15.249 4.084 -0.277 1.00 0.00 H new ATOM 1070 N GLU A 66 -14.047 6.607 3.962 1.00 0.00 N ATOM 1071 CA GLU A 66 -14.035 6.847 5.408 1.00 0.00 C ATOM 1072 C GLU A 66 -14.025 5.532 6.178 1.00 0.00 C ATOM 1073 O GLU A 66 -13.178 5.308 7.045 1.00 0.00 O ATOM 1074 CB GLU A 66 -15.259 7.704 5.808 1.00 0.00 C ATOM 1075 CG GLU A 66 -15.307 8.048 7.314 1.00 0.00 C ATOM 1076 CD GLU A 66 -16.449 7.411 8.134 1.00 0.00 C ATOM 1077 OE1 GLU A 66 -17.074 6.401 7.736 1.00 0.00 O ATOM 1078 OE2 GLU A 66 -16.725 7.926 9.246 1.00 0.00 O ATOM 0 H GLU A 66 -14.823 7.083 3.502 1.00 0.00 H new ATOM 0 HA GLU A 66 -13.125 7.390 5.664 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -15.248 8.630 5.232 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -16.170 7.171 5.536 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -14.359 7.750 7.762 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -15.380 9.131 7.414 1.00 0.00 H new ATOM 1085 N GLU A 67 -14.962 4.651 5.838 1.00 0.00 N ATOM 1086 CA GLU A 67 -15.170 3.414 6.570 1.00 0.00 C ATOM 1087 C GLU A 67 -13.944 2.525 6.377 1.00 0.00 C ATOM 1088 O GLU A 67 -13.477 1.895 7.322 1.00 0.00 O ATOM 1089 CB GLU A 67 -16.441 2.725 6.048 1.00 0.00 C ATOM 1090 CG GLU A 67 -17.345 2.142 7.136 1.00 0.00 C ATOM 1091 CD GLU A 67 -16.815 0.927 7.913 1.00 0.00 C ATOM 1092 OE1 GLU A 67 -16.426 -0.079 7.270 1.00 0.00 O ATOM 1093 OE2 GLU A 67 -16.890 0.962 9.168 1.00 0.00 O ATOM 0 H GLU A 67 -15.595 4.778 5.048 1.00 0.00 H new ATOM 0 HA GLU A 67 -15.301 3.610 7.634 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -17.015 3.445 5.465 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -16.151 1.924 5.368 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -17.563 2.933 7.854 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -18.291 1.861 6.674 1.00 0.00 H new ATOM 1100 N ASN A 68 -13.397 2.505 5.153 1.00 0.00 N ATOM 1101 CA ASN A 68 -12.233 1.691 4.814 1.00 0.00 C ATOM 1102 C ASN A 68 -11.015 2.201 5.563 1.00 0.00 C ATOM 1103 O ASN A 68 -10.254 1.388 6.081 1.00 0.00 O ATOM 1104 CB ASN A 68 -11.934 1.683 3.301 1.00 0.00 C ATOM 1105 CG ASN A 68 -11.985 0.293 2.681 1.00 0.00 C ATOM 1106 OD1 ASN A 68 -12.293 0.206 1.403 1.00 0.00 O flip ATOM 1107 ND2 ASN A 68 -11.749 -0.715 3.329 1.00 0.00 N flip ATOM 0 H ASN A 68 -13.754 3.056 4.372 1.00 0.00 H new ATOM 0 HA ASN A 68 -12.463 0.667 5.109 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -12.653 2.326 2.793 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -10.947 2.112 3.131 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -11.511 -0.641 4.318 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -11.790 -1.630 2.881 1.00 0.00 H new ATOM 1114 N TYR A 69 -10.852 3.527 5.644 1.00 0.00 N ATOM 1115 CA TYR A 69 -9.821 4.161 6.440 1.00 0.00 C ATOM 1116 C TYR A 69 -9.893 3.600 7.853 1.00 0.00 C ATOM 1117 O TYR A 69 -8.975 2.909 8.286 1.00 0.00 O ATOM 1118 CB TYR A 69 -9.945 5.693 6.406 1.00 0.00 C ATOM 1119 CG TYR A 69 -8.773 6.347 7.107 1.00 0.00 C ATOM 1120 CD1 TYR A 69 -8.664 6.378 8.510 1.00 0.00 C ATOM 1121 CD2 TYR A 69 -7.731 6.851 6.327 1.00 0.00 C ATOM 1122 CE1 TYR A 69 -7.468 6.799 9.114 1.00 0.00 C ATOM 1123 CE2 TYR A 69 -6.547 7.311 6.913 1.00 0.00 C ATOM 1124 CZ TYR A 69 -6.393 7.244 8.313 1.00 0.00 C ATOM 1125 OH TYR A 69 -5.221 7.621 8.895 1.00 0.00 O ATOM 0 H TYR A 69 -11.447 4.190 5.147 1.00 0.00 H new ATOM 0 HA TYR A 69 -8.839 3.938 6.023 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -9.992 6.035 5.372 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -10.876 5.997 6.885 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -9.501 6.078 9.123 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -7.841 6.886 5.253 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -7.370 6.783 10.189 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -5.757 7.715 6.298 1.00 0.00 H new ATOM 0 HH TYR A 69 -4.586 7.899 8.202 1.00 0.00 H new ATOM 1135 N LYS A 70 -10.998 3.830 8.562 1.00 0.00 N ATOM 1136 CA LYS A 70 -11.113 3.463 9.973 1.00 0.00 C ATOM 1137 C LYS A 70 -11.051 1.941 10.171 1.00 0.00 C ATOM 1138 O LYS A 70 -10.620 1.480 11.235 1.00 0.00 O ATOM 1139 CB LYS A 70 -12.374 4.131 10.556 1.00 0.00 C ATOM 1140 CG LYS A 70 -12.254 5.666 10.424 1.00 0.00 C ATOM 1141 CD LYS A 70 -13.439 6.469 10.965 1.00 0.00 C ATOM 1142 CE LYS A 70 -13.283 7.917 10.470 1.00 0.00 C ATOM 1143 NZ LYS A 70 -13.411 8.923 11.536 1.00 0.00 N ATOM 0 H LYS A 70 -11.833 4.273 8.178 1.00 0.00 H new ATOM 0 HA LYS A 70 -10.257 3.838 10.534 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -13.261 3.779 10.030 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -12.494 3.854 11.603 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -11.352 5.988 10.944 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -12.121 5.913 9.371 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -14.380 6.044 10.617 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -13.458 6.437 12.054 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -12.308 8.026 9.995 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -14.034 8.113 9.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -13.295 9.874 11.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -14.350 8.846 11.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -12.678 8.761 12.256 1.00 0.00 H new ATOM 1157 N LYS A 71 -11.400 1.145 9.153 1.00 0.00 N ATOM 1158 CA LYS A 71 -11.292 -0.313 9.208 1.00 0.00 C ATOM 1159 C LYS A 71 -9.864 -0.821 9.034 1.00 0.00 C ATOM 1160 O LYS A 71 -9.518 -1.828 9.650 1.00 0.00 O ATOM 1161 CB LYS A 71 -12.189 -0.923 8.130 1.00 0.00 C ATOM 1162 CG LYS A 71 -12.466 -2.420 8.386 1.00 0.00 C ATOM 1163 CD LYS A 71 -13.891 -2.847 7.973 1.00 0.00 C ATOM 1164 CE LYS A 71 -13.919 -3.895 6.857 1.00 0.00 C ATOM 1165 NZ LYS A 71 -13.543 -5.254 7.284 1.00 0.00 N ATOM 0 H LYS A 71 -11.765 1.497 8.268 1.00 0.00 H new ATOM 0 HA LYS A 71 -11.612 -0.621 10.203 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -13.134 -0.380 8.095 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -11.716 -0.803 7.155 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -11.739 -3.018 7.836 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -12.320 -2.635 9.445 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -14.409 -3.244 8.846 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -14.445 -1.967 7.647 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -14.922 -3.926 6.431 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -13.244 -3.578 6.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -13.588 -5.899 6.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -12.575 -5.243 7.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -14.200 -5.581 8.021 1.00 0.00 H new ATOM 1179 N PHE A 72 -9.030 -0.198 8.201 1.00 0.00 N ATOM 1180 CA PHE A 72 -7.672 -0.689 7.960 1.00 0.00 C ATOM 1181 C PHE A 72 -6.633 0.063 8.793 1.00 0.00 C ATOM 1182 O PHE A 72 -5.612 -0.524 9.163 1.00 0.00 O ATOM 1183 CB PHE A 72 -7.354 -0.708 6.463 1.00 0.00 C ATOM 1184 CG PHE A 72 -7.900 -1.925 5.747 1.00 0.00 C ATOM 1185 CD1 PHE A 72 -7.125 -3.097 5.731 1.00 0.00 C ATOM 1186 CD2 PHE A 72 -9.144 -1.898 5.090 1.00 0.00 C ATOM 1187 CE1 PHE A 72 -7.582 -4.242 5.064 1.00 0.00 C ATOM 1188 CE2 PHE A 72 -9.602 -3.051 4.425 1.00 0.00 C ATOM 1189 CZ PHE A 72 -8.823 -4.224 4.410 1.00 0.00 C ATOM 0 H PHE A 72 -9.270 0.647 7.682 1.00 0.00 H new ATOM 0 HA PHE A 72 -7.621 -1.723 8.301 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -7.764 0.190 6.001 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -6.273 -0.671 6.328 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -6.171 -3.116 6.236 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -9.743 -0.999 5.096 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -6.979 -5.138 5.054 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -10.558 -3.036 3.923 1.00 0.00 H new ATOM 0 HZ PHE A 72 -9.179 -5.105 3.898 1.00 0.00 H new ATOM 1199 N SER A 73 -6.934 1.294 9.209 1.00 0.00 N ATOM 1200 CA SER A 73 -6.106 2.158 10.060 1.00 0.00 C ATOM 1201 C SER A 73 -6.047 1.684 11.522 1.00 0.00 C ATOM 1202 O SER A 73 -5.553 2.400 12.390 1.00 0.00 O ATOM 1203 CB SER A 73 -6.603 3.610 9.983 1.00 0.00 C ATOM 1204 OG SER A 73 -5.661 4.488 10.569 1.00 0.00 O ATOM 0 H SER A 73 -7.812 1.743 8.948 1.00 0.00 H new ATOM 0 HA SER A 73 -5.088 2.100 9.675 1.00 0.00 H new ATOM 0 HB2 SER A 73 -6.770 3.889 8.943 1.00 0.00 H new ATOM 0 HB3 SER A 73 -7.561 3.700 10.495 1.00 0.00 H new ATOM 0 HG SER A 73 -5.373 4.129 11.434 1.00 0.00 H new ATOM 1210 N LYS A 74 -6.549 0.489 11.824 1.00 0.00 N ATOM 1211 CA LYS A 74 -6.451 -0.127 13.140 1.00 0.00 C ATOM 1212 C LYS A 74 -5.103 -0.799 13.400 1.00 0.00 C ATOM 1213 O LYS A 74 -4.969 -1.455 14.431 1.00 0.00 O ATOM 1214 CB LYS A 74 -7.600 -1.126 13.299 1.00 0.00 C ATOM 1215 CG LYS A 74 -7.504 -2.314 12.329 1.00 0.00 C ATOM 1216 CD LYS A 74 -8.812 -3.109 12.341 1.00 0.00 C ATOM 1217 CE LYS A 74 -8.754 -4.360 11.471 1.00 0.00 C ATOM 1218 NZ LYS A 74 -7.958 -5.440 12.091 1.00 0.00 N ATOM 0 H LYS A 74 -7.045 -0.088 11.145 1.00 0.00 H new ATOM 0 HA LYS A 74 -6.527 0.665 13.885 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -7.609 -1.500 14.323 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -8.547 -0.610 13.140 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -7.297 -1.955 11.321 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -6.674 -2.960 12.614 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -9.048 -3.396 13.366 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -9.624 -2.469 11.995 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -9.767 -4.719 11.287 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -8.324 -4.106 10.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -7.948 -6.269 11.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -6.984 -5.109 12.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -8.381 -5.703 13.004 1.00 0.00 H new ATOM 1232 N LYS A 75 -4.171 -0.768 12.439 1.00 0.00 N ATOM 1233 CA LYS A 75 -2.837 -1.347 12.582 1.00 0.00 C ATOM 1234 C LYS A 75 -1.929 -0.836 11.470 1.00 0.00 C ATOM 1235 O LYS A 75 -0.966 -0.121 11.724 1.00 0.00 O ATOM 1236 CB LYS A 75 -2.899 -2.886 12.616 1.00 0.00 C ATOM 1237 CG LYS A 75 -2.351 -3.438 13.935 1.00 0.00 C ATOM 1238 CD LYS A 75 -2.774 -4.892 14.168 1.00 0.00 C ATOM 1239 CE LYS A 75 -2.117 -5.849 13.170 1.00 0.00 C ATOM 1240 NZ LYS A 75 -2.869 -7.115 13.038 1.00 0.00 N ATOM 0 H LYS A 75 -4.328 -0.333 11.530 1.00 0.00 H new ATOM 0 HA LYS A 75 -2.414 -1.031 13.535 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.930 -3.213 12.483 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -2.326 -3.293 11.783 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -1.263 -3.373 13.931 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -2.704 -2.821 14.761 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -2.508 -5.188 15.183 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -3.858 -4.971 14.086 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -2.048 -5.365 12.196 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -1.098 -6.065 13.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -2.390 -7.734 12.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -2.913 -7.590 13.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -3.834 -6.913 12.706 1.00 0.00 H new ATOM 1254 N ILE A 76 -2.277 -1.192 10.235 1.00 0.00 N ATOM 1255 CA ILE A 76 -1.615 -0.799 9.000 1.00 0.00 C ATOM 1256 C ILE A 76 -1.884 0.694 8.778 1.00 0.00 C ATOM 1257 O ILE A 76 -2.992 1.156 9.067 1.00 0.00 O ATOM 1258 CB ILE A 76 -2.185 -1.639 7.837 1.00 0.00 C ATOM 1259 CG1 ILE A 76 -2.258 -3.170 8.038 1.00 0.00 C ATOM 1260 CG2 ILE A 76 -1.413 -1.318 6.554 1.00 0.00 C ATOM 1261 CD1 ILE A 76 -3.256 -3.809 7.056 1.00 0.00 C ATOM 0 H ILE A 76 -3.078 -1.800 10.063 1.00 0.00 H new ATOM 0 HA ILE A 76 -0.540 -0.971 9.053 1.00 0.00 H new ATOM 0 HB ILE A 76 -3.231 -1.339 7.779 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.270 -3.607 7.893 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.558 -3.392 9.062 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -1.813 -1.910 5.731 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -1.516 -0.258 6.323 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -0.359 -1.558 6.694 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -3.288 -4.886 7.219 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -4.248 -3.388 7.220 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -2.940 -3.606 6.033 1.00 0.00 H new ATOM 1273 N GLU A 77 -0.928 1.437 8.229 1.00 0.00 N ATOM 1274 CA GLU A 77 -0.940 2.893 8.148 1.00 0.00 C ATOM 1275 C GLU A 77 -1.060 3.321 6.686 1.00 0.00 C ATOM 1276 O GLU A 77 -0.321 2.834 5.845 1.00 0.00 O ATOM 1277 CB GLU A 77 0.371 3.357 8.802 1.00 0.00 C ATOM 1278 CG GLU A 77 0.406 2.970 10.296 1.00 0.00 C ATOM 1279 CD GLU A 77 1.780 2.732 10.926 1.00 0.00 C ATOM 1280 OE1 GLU A 77 2.657 2.100 10.300 1.00 0.00 O ATOM 1281 OE2 GLU A 77 1.931 3.102 12.115 1.00 0.00 O ATOM 0 H GLU A 77 -0.093 1.026 7.813 1.00 0.00 H new ATOM 0 HA GLU A 77 -1.788 3.344 8.663 1.00 0.00 H new ATOM 0 HB2 GLU A 77 1.219 2.908 8.285 1.00 0.00 H new ATOM 0 HB3 GLU A 77 0.471 4.438 8.699 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -0.092 3.758 10.861 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -0.186 2.063 10.424 1.00 0.00 H new ATOM 1288 N ILE A 78 -2.027 4.160 6.320 1.00 0.00 N ATOM 1289 CA ILE A 78 -2.197 4.523 4.913 1.00 0.00 C ATOM 1290 C ILE A 78 -1.387 5.791 4.610 1.00 0.00 C ATOM 1291 O ILE A 78 -1.486 6.780 5.345 1.00 0.00 O ATOM 1292 CB ILE A 78 -3.682 4.633 4.534 1.00 0.00 C ATOM 1293 CG1 ILE A 78 -4.504 3.394 4.957 1.00 0.00 C ATOM 1294 CG2 ILE A 78 -3.797 4.776 3.004 1.00 0.00 C ATOM 1295 CD1 ILE A 78 -5.353 3.657 6.205 1.00 0.00 C ATOM 0 H ILE A 78 -2.692 4.593 6.961 1.00 0.00 H new ATOM 0 HA ILE A 78 -1.802 3.728 4.280 1.00 0.00 H new ATOM 0 HB ILE A 78 -4.082 5.500 5.059 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -5.154 3.094 4.135 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -3.828 2.561 5.149 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -4.847 4.855 2.724 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -3.267 5.672 2.681 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -3.358 3.902 2.523 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -5.911 2.757 6.462 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -4.703 3.930 7.036 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -6.049 4.472 6.006 1.00 0.00 H new ATOM 1307 N TYR A 79 -0.608 5.764 3.527 1.00 0.00 N ATOM 1308 CA TYR A 79 0.231 6.869 3.075 1.00 0.00 C ATOM 1309 C TYR A 79 -0.249 7.357 1.725 1.00 0.00 C ATOM 1310 O TYR A 79 -0.797 6.586 0.928 1.00 0.00 O ATOM 1311 CB TYR A 79 1.710 6.475 3.027 1.00 0.00 C ATOM 1312 CG TYR A 79 2.315 6.310 4.407 1.00 0.00 C ATOM 1313 CD1 TYR A 79 2.033 5.160 5.164 1.00 0.00 C ATOM 1314 CD2 TYR A 79 3.100 7.338 4.972 1.00 0.00 C ATOM 1315 CE1 TYR A 79 2.554 5.023 6.454 1.00 0.00 C ATOM 1316 CE2 TYR A 79 3.604 7.213 6.284 1.00 0.00 C ATOM 1317 CZ TYR A 79 3.321 6.047 7.033 1.00 0.00 C ATOM 1318 OH TYR A 79 3.685 5.897 8.331 1.00 0.00 O ATOM 0 H TYR A 79 -0.544 4.945 2.923 1.00 0.00 H new ATOM 0 HA TYR A 79 0.144 7.682 3.796 1.00 0.00 H new ATOM 0 HB2 TYR A 79 1.816 5.542 2.474 1.00 0.00 H new ATOM 0 HB3 TYR A 79 2.267 7.235 2.479 1.00 0.00 H new ATOM 0 HD1 TYR A 79 1.412 4.380 4.748 1.00 0.00 H new ATOM 0 HD2 TYR A 79 3.316 8.226 4.396 1.00 0.00 H new ATOM 0 HE1 TYR A 79 2.364 4.118 7.012 1.00 0.00 H new ATOM 0 HE2 TYR A 79 4.202 8.003 6.714 1.00 0.00 H new ATOM 0 HH TYR A 79 4.213 6.672 8.614 1.00 0.00 H new ATOM 1328 N HIS A 80 -0.033 8.646 1.469 1.00 0.00 N ATOM 1329 CA HIS A 80 -0.465 9.246 0.226 1.00 0.00 C ATOM 1330 C HIS A 80 0.551 8.900 -0.852 1.00 0.00 C ATOM 1331 O HIS A 80 1.763 8.979 -0.639 1.00 0.00 O ATOM 1332 CB HIS A 80 -0.621 10.768 0.374 1.00 0.00 C ATOM 1333 CG HIS A 80 -1.628 11.391 -0.580 1.00 0.00 C ATOM 1334 ND1 HIS A 80 -1.729 12.735 -0.878 1.00 0.00 N ATOM 1335 CD2 HIS A 80 -2.624 10.750 -1.275 1.00 0.00 C ATOM 1336 CE1 HIS A 80 -2.775 12.891 -1.710 1.00 0.00 C ATOM 1337 NE2 HIS A 80 -3.343 11.712 -1.982 1.00 0.00 N ATOM 0 H HIS A 80 0.438 9.286 2.109 1.00 0.00 H new ATOM 0 HA HIS A 80 -1.443 8.853 -0.053 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -0.921 10.993 1.398 1.00 0.00 H new ATOM 0 HB3 HIS A 80 0.350 11.238 0.216 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -2.816 9.687 -1.274 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -3.110 13.839 -2.104 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -4.146 11.548 -2.589 1.00 0.00 H new ATOM 1345 N ALA A 81 0.057 8.519 -2.018 1.00 0.00 N ATOM 1346 CA ALA A 81 0.844 8.525 -3.226 1.00 0.00 C ATOM 1347 C ALA A 81 0.972 9.963 -3.702 1.00 0.00 C ATOM 1348 O ALA A 81 -0.023 10.681 -3.820 1.00 0.00 O ATOM 1349 CB ALA A 81 0.186 7.609 -4.252 1.00 0.00 C ATOM 0 H ALA A 81 -0.902 8.198 -2.147 1.00 0.00 H new ATOM 0 HA ALA A 81 1.850 8.141 -3.059 1.00 0.00 H new ATOM 0 HB1 ALA A 81 0.775 7.608 -5.169 1.00 0.00 H new ATOM 0 HB2 ALA A 81 0.132 6.596 -3.854 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -0.820 7.968 -4.468 1.00 0.00 H new ATOM 1355 N GLU A 82 2.208 10.387 -3.948 1.00 0.00 N ATOM 1356 CA GLU A 82 2.534 11.764 -4.298 1.00 0.00 C ATOM 1357 C GLU A 82 2.239 12.074 -5.760 1.00 0.00 C ATOM 1358 O GLU A 82 1.928 13.209 -6.133 1.00 0.00 O ATOM 1359 CB GLU A 82 3.998 12.022 -3.908 1.00 0.00 C ATOM 1360 CG GLU A 82 5.008 11.209 -4.732 1.00 0.00 C ATOM 1361 CD GLU A 82 5.741 11.999 -5.832 1.00 0.00 C ATOM 1362 OE1 GLU A 82 6.453 12.982 -5.499 1.00 0.00 O ATOM 1363 OE2 GLU A 82 5.601 11.610 -7.018 1.00 0.00 O ATOM 0 H GLU A 82 3.022 9.774 -3.909 1.00 0.00 H new ATOM 0 HA GLU A 82 1.894 12.449 -3.741 1.00 0.00 H new ATOM 0 HB2 GLU A 82 4.215 13.083 -4.028 1.00 0.00 H new ATOM 0 HB3 GLU A 82 4.131 11.787 -2.852 1.00 0.00 H new ATOM 0 HG2 GLU A 82 5.750 10.787 -4.054 1.00 0.00 H new ATOM 0 HG3 GLU A 82 4.486 10.372 -5.195 1.00 0.00 H new ATOM 1370 N GLY A 83 2.252 11.015 -6.551 1.00 0.00 N ATOM 1371 CA GLY A 83 2.417 10.996 -7.979 1.00 0.00 C ATOM 1372 C GLY A 83 2.299 9.554 -8.433 1.00 0.00 C ATOM 1373 O GLY A 83 2.358 8.632 -7.620 1.00 0.00 O ATOM 0 H GLY A 83 2.138 10.075 -6.172 1.00 0.00 H new ATOM 0 HA2 GLY A 83 1.658 11.613 -8.461 1.00 0.00 H new ATOM 0 HA3 GLY A 83 3.387 11.408 -8.258 1.00 0.00 H new ATOM 1377 N ASP A 84 2.046 9.351 -9.715 1.00 0.00 N ATOM 1378 CA ASP A 84 1.633 8.072 -10.287 1.00 0.00 C ATOM 1379 C ASP A 84 2.847 7.154 -10.472 1.00 0.00 C ATOM 1380 O ASP A 84 2.695 5.965 -10.770 1.00 0.00 O ATOM 1381 CB ASP A 84 0.926 8.325 -11.630 1.00 0.00 C ATOM 1382 CG ASP A 84 -0.413 9.072 -11.504 1.00 0.00 C ATOM 1383 OD1 ASP A 84 -0.485 10.116 -10.806 1.00 0.00 O ATOM 1384 OD2 ASP A 84 -1.404 8.654 -12.140 1.00 0.00 O ATOM 0 H ASP A 84 2.124 10.092 -10.411 1.00 0.00 H new ATOM 0 HA ASP A 84 0.940 7.575 -9.609 1.00 0.00 H new ATOM 0 HB2 ASP A 84 1.591 8.899 -12.276 1.00 0.00 H new ATOM 0 HB3 ASP A 84 0.751 7.368 -12.122 1.00 0.00 H new ATOM 1389 N ASP A 85 4.052 7.712 -10.291 1.00 0.00 N ATOM 1390 CA ASP A 85 5.329 7.020 -10.430 1.00 0.00 C ATOM 1391 C ASP A 85 5.506 6.081 -9.246 1.00 0.00 C ATOM 1392 O ASP A 85 5.910 6.512 -8.164 1.00 0.00 O ATOM 1393 CB ASP A 85 6.528 7.979 -10.481 1.00 0.00 C ATOM 1394 CG ASP A 85 7.724 7.380 -11.215 1.00 0.00 C ATOM 1395 OD1 ASP A 85 7.733 7.426 -12.466 1.00 0.00 O ATOM 1396 OD2 ASP A 85 8.701 7.000 -10.534 1.00 0.00 O ATOM 0 H ASP A 85 4.162 8.693 -10.035 1.00 0.00 H new ATOM 0 HA ASP A 85 5.305 6.478 -11.376 1.00 0.00 H new ATOM 0 HB2 ASP A 85 6.229 8.904 -10.974 1.00 0.00 H new ATOM 0 HB3 ASP A 85 6.823 8.241 -9.465 1.00 0.00 H new ATOM 1401 N VAL A 86 5.214 4.798 -9.422 1.00 0.00 N ATOM 1402 CA VAL A 86 5.446 3.815 -8.369 1.00 0.00 C ATOM 1403 C VAL A 86 6.883 3.922 -7.847 1.00 0.00 C ATOM 1404 O VAL A 86 7.107 3.858 -6.638 1.00 0.00 O ATOM 1405 CB VAL A 86 5.129 2.406 -8.894 1.00 0.00 C ATOM 1406 CG1 VAL A 86 5.690 1.300 -7.994 1.00 0.00 C ATOM 1407 CG2 VAL A 86 3.613 2.228 -8.978 1.00 0.00 C ATOM 0 H VAL A 86 4.818 4.414 -10.280 1.00 0.00 H new ATOM 0 HA VAL A 86 4.781 4.016 -7.529 1.00 0.00 H new ATOM 0 HB VAL A 86 5.599 2.318 -9.874 1.00 0.00 H new ATOM 0 HG11 VAL A 86 5.436 0.326 -8.413 1.00 0.00 H new ATOM 0 HG12 VAL A 86 6.774 1.397 -7.931 1.00 0.00 H new ATOM 0 HG13 VAL A 86 5.259 1.389 -6.997 1.00 0.00 H new ATOM 0 HG21 VAL A 86 3.384 1.229 -9.350 1.00 0.00 H new ATOM 0 HG22 VAL A 86 3.176 2.355 -7.987 1.00 0.00 H new ATOM 0 HG23 VAL A 86 3.196 2.972 -9.656 1.00 0.00 H new ATOM 1417 N ASP A 87 7.852 4.118 -8.743 1.00 0.00 N ATOM 1418 CA ASP A 87 9.263 4.065 -8.397 1.00 0.00 C ATOM 1419 C ASP A 87 9.628 5.223 -7.477 1.00 0.00 C ATOM 1420 O ASP A 87 10.338 5.012 -6.486 1.00 0.00 O ATOM 1421 CB ASP A 87 10.127 4.040 -9.661 1.00 0.00 C ATOM 1422 CG ASP A 87 10.482 2.606 -10.023 1.00 0.00 C ATOM 1423 OD1 ASP A 87 9.586 1.868 -10.491 1.00 0.00 O ATOM 1424 OD2 ASP A 87 11.651 2.231 -9.774 1.00 0.00 O ATOM 0 H ASP A 87 7.675 4.318 -9.727 1.00 0.00 H new ATOM 0 HA ASP A 87 9.460 3.141 -7.853 1.00 0.00 H new ATOM 0 HB2 ASP A 87 9.592 4.510 -10.486 1.00 0.00 H new ATOM 0 HB3 ASP A 87 11.037 4.619 -9.501 1.00 0.00 H new ATOM 1429 N LYS A 88 9.089 6.420 -7.738 1.00 0.00 N ATOM 1430 CA LYS A 88 9.222 7.547 -6.821 1.00 0.00 C ATOM 1431 C LYS A 88 8.605 7.217 -5.464 1.00 0.00 C ATOM 1432 O LYS A 88 9.159 7.535 -4.417 1.00 0.00 O ATOM 1433 CB LYS A 88 8.566 8.787 -7.471 1.00 0.00 C ATOM 1434 CG LYS A 88 8.842 10.129 -6.776 1.00 0.00 C ATOM 1435 CD LYS A 88 10.276 10.284 -6.250 1.00 0.00 C ATOM 1436 CE LYS A 88 10.692 11.755 -6.172 1.00 0.00 C ATOM 1437 NZ LYS A 88 11.550 12.133 -7.316 1.00 0.00 N ATOM 0 H LYS A 88 8.555 6.629 -8.582 1.00 0.00 H new ATOM 0 HA LYS A 88 10.275 7.761 -6.638 1.00 0.00 H new ATOM 0 HB2 LYS A 88 8.908 8.857 -8.504 1.00 0.00 H new ATOM 0 HB3 LYS A 88 7.488 8.630 -7.502 1.00 0.00 H new ATOM 0 HG2 LYS A 88 8.635 10.937 -7.477 1.00 0.00 H new ATOM 0 HG3 LYS A 88 8.148 10.244 -5.944 1.00 0.00 H new ATOM 0 HD2 LYS A 88 10.353 9.831 -5.262 1.00 0.00 H new ATOM 0 HD3 LYS A 88 10.963 9.745 -6.902 1.00 0.00 H new ATOM 0 HE2 LYS A 88 9.803 12.386 -6.157 1.00 0.00 H new ATOM 0 HE3 LYS A 88 11.226 11.935 -5.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 11.815 13.135 -7.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 12.409 11.546 -7.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 11.030 11.983 -8.204 1.00 0.00 H new ATOM 1451 N ASN A 89 7.437 6.583 -5.474 1.00 0.00 N ATOM 1452 CA ASN A 89 6.633 6.417 -4.274 1.00 0.00 C ATOM 1453 C ASN A 89 7.266 5.387 -3.339 1.00 0.00 C ATOM 1454 O ASN A 89 7.184 5.544 -2.124 1.00 0.00 O ATOM 1455 CB ASN A 89 5.194 6.063 -4.682 1.00 0.00 C ATOM 1456 CG ASN A 89 4.432 7.305 -5.160 1.00 0.00 C ATOM 1457 OD1 ASN A 89 3.380 7.653 -4.656 1.00 0.00 O ATOM 1458 ND2 ASN A 89 4.935 8.036 -6.130 1.00 0.00 N ATOM 0 H ASN A 89 7.025 6.172 -6.312 1.00 0.00 H new ATOM 0 HA ASN A 89 6.597 7.349 -3.709 1.00 0.00 H new ATOM 0 HB2 ASN A 89 5.211 5.316 -5.476 1.00 0.00 H new ATOM 0 HB3 ASN A 89 4.672 5.617 -3.835 1.00 0.00 H new ATOM 0 HD21 ASN A 89 4.445 8.874 -6.444 1.00 0.00 H new ATOM 0 HD22 ASN A 89 5.815 7.766 -6.569 1.00 0.00 H new ATOM 1465 N ILE A 90 7.928 4.365 -3.886 1.00 0.00 N ATOM 1466 CA ILE A 90 8.650 3.350 -3.124 1.00 0.00 C ATOM 1467 C ILE A 90 9.859 4.011 -2.440 1.00 0.00 C ATOM 1468 O ILE A 90 10.047 3.833 -1.236 1.00 0.00 O ATOM 1469 CB ILE A 90 9.052 2.172 -4.054 1.00 0.00 C ATOM 1470 CG1 ILE A 90 7.839 1.362 -4.583 1.00 0.00 C ATOM 1471 CG2 ILE A 90 9.998 1.200 -3.324 1.00 0.00 C ATOM 1472 CD1 ILE A 90 8.171 0.478 -5.791 1.00 0.00 C ATOM 0 H ILE A 90 7.977 4.219 -4.894 1.00 0.00 H new ATOM 0 HA ILE A 90 8.016 2.927 -2.345 1.00 0.00 H new ATOM 0 HB ILE A 90 9.549 2.633 -4.907 1.00 0.00 H new ATOM 0 HG12 ILE A 90 7.453 0.735 -3.779 1.00 0.00 H new ATOM 0 HG13 ILE A 90 7.043 2.054 -4.857 1.00 0.00 H new ATOM 0 HG21 ILE A 90 10.267 0.383 -3.993 1.00 0.00 H new ATOM 0 HG22 ILE A 90 10.900 1.731 -3.018 1.00 0.00 H new ATOM 0 HG23 ILE A 90 9.498 0.798 -2.443 1.00 0.00 H new ATOM 0 HD11 ILE A 90 7.276 -0.058 -6.106 1.00 0.00 H new ATOM 0 HD12 ILE A 90 8.528 1.101 -6.611 1.00 0.00 H new ATOM 0 HD13 ILE A 90 8.945 -0.238 -5.516 1.00 0.00 H new ATOM 1484 N SER A 91 10.681 4.766 -3.176 1.00 0.00 N ATOM 1485 CA SER A 91 11.891 5.372 -2.620 1.00 0.00 C ATOM 1486 C SER A 91 11.555 6.400 -1.530 1.00 0.00 C ATOM 1487 O SER A 91 12.254 6.492 -0.515 1.00 0.00 O ATOM 1488 CB SER A 91 12.760 5.949 -3.750 1.00 0.00 C ATOM 1489 OG SER A 91 12.011 6.606 -4.762 1.00 0.00 O ATOM 0 H SER A 91 10.527 4.972 -4.163 1.00 0.00 H new ATOM 0 HA SER A 91 12.480 4.600 -2.124 1.00 0.00 H new ATOM 0 HB2 SER A 91 13.475 6.652 -3.324 1.00 0.00 H new ATOM 0 HB3 SER A 91 13.337 5.142 -4.202 1.00 0.00 H new ATOM 0 HG SER A 91 11.608 5.939 -5.356 1.00 0.00 H new ATOM 1495 N LEU A 92 10.450 7.136 -1.680 1.00 0.00 N ATOM 1496 CA LEU A 92 9.976 8.049 -0.643 1.00 0.00 C ATOM 1497 C LEU A 92 9.533 7.284 0.602 1.00 0.00 C ATOM 1498 O LEU A 92 9.744 7.745 1.725 1.00 0.00 O ATOM 1499 CB LEU A 92 8.815 8.889 -1.178 1.00 0.00 C ATOM 1500 CG LEU A 92 9.258 9.904 -2.239 1.00 0.00 C ATOM 1501 CD1 LEU A 92 8.033 10.390 -3.007 1.00 0.00 C ATOM 1502 CD2 LEU A 92 9.988 11.093 -1.620 1.00 0.00 C ATOM 0 H LEU A 92 9.866 7.115 -2.516 1.00 0.00 H new ATOM 0 HA LEU A 92 10.801 8.705 -0.365 1.00 0.00 H new ATOM 0 HB2 LEU A 92 8.061 8.228 -1.606 1.00 0.00 H new ATOM 0 HB3 LEU A 92 8.343 9.418 -0.350 1.00 0.00 H new ATOM 0 HG LEU A 92 9.956 9.409 -2.914 1.00 0.00 H new ATOM 0 HD11 LEU A 92 8.341 11.112 -3.763 1.00 0.00 H new ATOM 0 HD12 LEU A 92 7.547 9.543 -3.491 1.00 0.00 H new ATOM 0 HD13 LEU A 92 7.335 10.863 -2.317 1.00 0.00 H new ATOM 0 HD21 LEU A 92 10.284 11.787 -2.406 1.00 0.00 H new ATOM 0 HD22 LEU A 92 9.327 11.601 -0.918 1.00 0.00 H new ATOM 0 HD23 LEU A 92 10.875 10.741 -1.093 1.00 0.00 H new ATOM 1514 N PHE A 93 8.911 6.119 0.423 1.00 0.00 N ATOM 1515 CA PHE A 93 8.416 5.306 1.519 1.00 0.00 C ATOM 1516 C PHE A 93 9.556 4.727 2.359 1.00 0.00 C ATOM 1517 O PHE A 93 9.462 4.735 3.588 1.00 0.00 O ATOM 1518 CB PHE A 93 7.537 4.185 0.962 1.00 0.00 C ATOM 1519 CG PHE A 93 7.059 3.239 2.035 1.00 0.00 C ATOM 1520 CD1 PHE A 93 6.133 3.673 3.003 1.00 0.00 C ATOM 1521 CD2 PHE A 93 7.607 1.947 2.104 1.00 0.00 C ATOM 1522 CE1 PHE A 93 5.754 2.813 4.043 1.00 0.00 C ATOM 1523 CE2 PHE A 93 7.227 1.092 3.144 1.00 0.00 C ATOM 1524 CZ PHE A 93 6.303 1.522 4.114 1.00 0.00 C ATOM 0 H PHE A 93 8.738 5.715 -0.497 1.00 0.00 H new ATOM 0 HA PHE A 93 7.825 5.943 2.177 1.00 0.00 H new ATOM 0 HB2 PHE A 93 6.675 4.621 0.456 1.00 0.00 H new ATOM 0 HB3 PHE A 93 8.098 3.626 0.213 1.00 0.00 H new ATOM 0 HD1 PHE A 93 5.715 4.667 2.944 1.00 0.00 H new ATOM 0 HD2 PHE A 93 8.316 1.616 1.360 1.00 0.00 H new ATOM 0 HE1 PHE A 93 5.043 3.142 4.787 1.00 0.00 H new ATOM 0 HE2 PHE A 93 7.645 0.098 3.203 1.00 0.00 H new ATOM 0 HZ PHE A 93 6.015 0.858 4.915 1.00 0.00 H new ATOM 1534 N ILE A 94 10.608 4.210 1.715 1.00 0.00 N ATOM 1535 CA ILE A 94 11.789 3.660 2.377 1.00 0.00 C ATOM 1536 C ILE A 94 12.387 4.705 3.330 1.00 0.00 C ATOM 1537 O ILE A 94 12.784 4.349 4.441 1.00 0.00 O ATOM 1538 CB ILE A 94 12.791 3.134 1.312 1.00 0.00 C ATOM 1539 CG1 ILE A 94 12.226 1.867 0.626 1.00 0.00 C ATOM 1540 CG2 ILE A 94 14.165 2.785 1.913 1.00 0.00 C ATOM 1541 CD1 ILE A 94 12.948 1.492 -0.672 1.00 0.00 C ATOM 0 H ILE A 94 10.660 4.163 0.697 1.00 0.00 H new ATOM 0 HA ILE A 94 11.519 2.803 2.994 1.00 0.00 H new ATOM 0 HB ILE A 94 12.925 3.940 0.591 1.00 0.00 H new ATOM 0 HG12 ILE A 94 12.290 1.030 1.321 1.00 0.00 H new ATOM 0 HG13 ILE A 94 11.169 2.023 0.411 1.00 0.00 H new ATOM 0 HG21 ILE A 94 14.825 2.423 1.125 1.00 0.00 H new ATOM 0 HG22 ILE A 94 14.599 3.675 2.370 1.00 0.00 H new ATOM 0 HG23 ILE A 94 14.045 2.010 2.670 1.00 0.00 H new ATOM 0 HD11 ILE A 94 12.496 0.594 -1.094 1.00 0.00 H new ATOM 0 HD12 ILE A 94 12.862 2.311 -1.386 1.00 0.00 H new ATOM 0 HD13 ILE A 94 14.001 1.303 -0.461 1.00 0.00 H new ATOM 1553 N GLU A 95 12.448 5.976 2.927 1.00 0.00 N ATOM 1554 CA GLU A 95 12.981 7.043 3.767 1.00 0.00 C ATOM 1555 C GLU A 95 11.985 7.543 4.815 1.00 0.00 C ATOM 1556 O GLU A 95 12.419 7.941 5.898 1.00 0.00 O ATOM 1557 CB GLU A 95 13.453 8.182 2.858 1.00 0.00 C ATOM 1558 CG GLU A 95 14.875 7.905 2.337 1.00 0.00 C ATOM 1559 CD GLU A 95 15.947 8.326 3.352 1.00 0.00 C ATOM 1560 OE1 GLU A 95 16.175 7.563 4.322 1.00 0.00 O ATOM 1561 OE2 GLU A 95 16.524 9.430 3.203 1.00 0.00 O ATOM 0 H GLU A 95 12.129 6.291 2.011 1.00 0.00 H new ATOM 0 HA GLU A 95 13.818 6.642 4.339 1.00 0.00 H new ATOM 0 HB2 GLU A 95 12.767 8.292 2.018 1.00 0.00 H new ATOM 0 HB3 GLU A 95 13.438 9.123 3.408 1.00 0.00 H new ATOM 0 HG2 GLU A 95 14.981 6.843 2.117 1.00 0.00 H new ATOM 0 HG3 GLU A 95 15.030 8.442 1.401 1.00 0.00 H new ATOM 1568 N GLY A 96 10.680 7.500 4.527 1.00 0.00 N ATOM 1569 CA GLY A 96 9.640 8.026 5.405 1.00 0.00 C ATOM 1570 C GLY A 96 9.100 9.388 4.980 1.00 0.00 C ATOM 1571 O GLY A 96 8.257 9.941 5.683 1.00 0.00 O ATOM 0 H GLY A 96 10.316 7.093 3.666 1.00 0.00 H new ATOM 0 HA2 GLY A 96 8.815 7.315 5.441 1.00 0.00 H new ATOM 0 HA3 GLY A 96 10.038 8.104 6.417 1.00 0.00 H new ATOM 1575 N GLU A 97 9.547 9.910 3.836 1.00 0.00 N ATOM 1576 CA GLU A 97 9.191 11.228 3.315 1.00 0.00 C ATOM 1577 C GLU A 97 7.673 11.360 3.104 1.00 0.00 C ATOM 1578 O GLU A 97 7.099 12.414 3.405 1.00 0.00 O ATOM 1579 CB GLU A 97 9.963 11.467 1.998 1.00 0.00 C ATOM 1580 CG GLU A 97 11.174 12.416 2.133 1.00 0.00 C ATOM 1581 CD GLU A 97 10.988 13.834 1.555 1.00 0.00 C ATOM 1582 OE1 GLU A 97 10.059 14.102 0.762 1.00 0.00 O ATOM 1583 OE2 GLU A 97 11.863 14.704 1.790 1.00 0.00 O ATOM 0 H GLU A 97 10.191 9.406 3.226 1.00 0.00 H new ATOM 0 HA GLU A 97 9.471 11.989 4.043 1.00 0.00 H new ATOM 0 HB2 GLU A 97 10.310 10.507 1.615 1.00 0.00 H new ATOM 0 HB3 GLU A 97 9.276 11.877 1.257 1.00 0.00 H new ATOM 0 HG2 GLU A 97 11.424 12.506 3.190 1.00 0.00 H new ATOM 0 HG3 GLU A 97 12.030 11.954 1.641 1.00 0.00 H new ATOM 1590 N LEU A 98 7.021 10.291 2.619 1.00 0.00 N ATOM 1591 CA LEU A 98 5.593 10.303 2.292 1.00 0.00 C ATOM 1592 C LEU A 98 4.768 10.711 3.501 1.00 0.00 C ATOM 1593 O LEU A 98 4.913 10.129 4.578 1.00 0.00 O ATOM 1594 CB LEU A 98 5.080 8.920 1.887 1.00 0.00 C ATOM 1595 CG LEU A 98 5.707 8.294 0.643 1.00 0.00 C ATOM 1596 CD1 LEU A 98 5.189 6.857 0.603 1.00 0.00 C ATOM 1597 CD2 LEU A 98 5.387 9.072 -0.642 1.00 0.00 C ATOM 0 H LEU A 98 7.474 9.394 2.444 1.00 0.00 H new ATOM 0 HA LEU A 98 5.488 11.007 1.467 1.00 0.00 H new ATOM 0 HB2 LEU A 98 5.235 8.241 2.725 1.00 0.00 H new ATOM 0 HB3 LEU A 98 4.004 8.989 1.728 1.00 0.00 H new ATOM 0 HG LEU A 98 6.795 8.321 0.698 1.00 0.00 H new ATOM 0 HD11 LEU A 98 5.600 6.346 -0.268 1.00 0.00 H new ATOM 0 HD12 LEU A 98 5.496 6.334 1.509 1.00 0.00 H new ATOM 0 HD13 LEU A 98 4.101 6.864 0.539 1.00 0.00 H new ATOM 0 HD21 LEU A 98 5.859 8.580 -1.492 1.00 0.00 H new ATOM 0 HD22 LEU A 98 4.308 9.099 -0.792 1.00 0.00 H new ATOM 0 HD23 LEU A 98 5.767 10.090 -0.555 1.00 0.00 H new ATOM 1609 N SER A 99 3.845 11.643 3.298 1.00 0.00 N ATOM 1610 CA SER A 99 2.837 11.966 4.279 1.00 0.00 C ATOM 1611 C SER A 99 1.740 10.917 4.284 1.00 0.00 C ATOM 1612 O SER A 99 1.503 10.197 3.307 1.00 0.00 O ATOM 1613 CB SER A 99 2.291 13.376 4.039 1.00 0.00 C ATOM 1614 OG SER A 99 2.996 14.290 4.862 1.00 0.00 O ATOM 0 H SER A 99 3.781 12.194 2.442 1.00 0.00 H new ATOM 0 HA SER A 99 3.290 11.959 5.270 1.00 0.00 H new ATOM 0 HB2 SER A 99 2.404 13.650 2.990 1.00 0.00 H new ATOM 0 HB3 SER A 99 1.225 13.411 4.265 1.00 0.00 H new ATOM 0 HG SER A 99 2.653 15.196 4.713 1.00 0.00 H new ATOM 1620 N LYS A 100 1.057 10.851 5.421 1.00 0.00 N ATOM 1621 CA LYS A 100 -0.133 10.049 5.586 1.00 0.00 C ATOM 1622 C LYS A 100 -1.322 10.827 5.047 1.00 0.00 C ATOM 1623 O LYS A 100 -1.304 12.055 4.971 1.00 0.00 O ATOM 1624 CB LYS A 100 -0.278 9.649 7.054 1.00 0.00 C ATOM 1625 CG LYS A 100 0.808 8.616 7.395 1.00 0.00 C ATOM 1626 CD LYS A 100 0.816 8.221 8.867 1.00 0.00 C ATOM 1627 CE LYS A 100 -0.416 7.403 9.265 1.00 0.00 C ATOM 1628 NZ LYS A 100 -0.322 6.966 10.672 1.00 0.00 N ATOM 0 H LYS A 100 1.324 11.363 6.262 1.00 0.00 H new ATOM 0 HA LYS A 100 -0.071 9.120 5.019 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -0.180 10.525 7.695 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -1.268 9.230 7.235 1.00 0.00 H new ATOM 0 HG2 LYS A 100 0.657 7.724 6.787 1.00 0.00 H new ATOM 0 HG3 LYS A 100 1.784 9.022 7.129 1.00 0.00 H new ATOM 0 HD2 LYS A 100 1.715 7.643 9.079 1.00 0.00 H new ATOM 0 HD3 LYS A 100 0.864 9.121 9.480 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -1.316 8.001 9.124 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -0.506 6.533 8.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -1.167 6.413 10.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 0.526 6.377 10.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -0.259 7.799 11.291 1.00 0.00 H new ATOM 1642 N ILE A 101 -2.361 10.092 4.674 1.00 0.00 N ATOM 1643 CA ILE A 101 -3.657 10.662 4.344 1.00 0.00 C ATOM 1644 C ILE A 101 -4.366 10.935 5.673 1.00 0.00 C ATOM 1645 O ILE A 101 -4.077 10.300 6.693 1.00 0.00 O ATOM 1646 CB ILE A 101 -4.413 9.672 3.435 1.00 0.00 C ATOM 1647 CG1 ILE A 101 -3.698 9.542 2.070 1.00 0.00 C ATOM 1648 CG2 ILE A 101 -5.911 10.023 3.266 1.00 0.00 C ATOM 1649 CD1 ILE A 101 -4.281 8.492 1.114 1.00 0.00 C ATOM 0 H ILE A 101 -2.326 9.076 4.592 1.00 0.00 H new ATOM 0 HA ILE A 101 -3.589 11.599 3.791 1.00 0.00 H new ATOM 0 HB ILE A 101 -4.394 8.702 3.932 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -3.722 10.512 1.574 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -2.650 9.301 2.250 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -6.386 9.288 2.615 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -6.399 10.014 4.241 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -6.005 11.014 2.823 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -3.706 8.484 0.188 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -4.232 7.508 1.581 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -5.320 8.738 0.894 1.00 0.00 H new