USER MOD reduce.3.24.130724 H: found=0, std=0, add=828, rem=0, adj=26 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 3 ASN : amide:sc= -0.275 X(o=-0.66,f=-0.91) USER MOD Set 1.2: A 55 ASN : amide:sc= -0.38 X(o=-0.66,f=-0.91) USER MOD Set 2.1: A 22 CYS SG : rot -156:sc= -0.437 USER MOD Set 2.2: A 43 ASN : amide:sc= 0.578 K(o=0.14,f=-1.4) USER MOD Set 3.1: A 1 MET N :NH3+ 160:sc= 0.0112 (180deg=0) USER MOD Set 3.2: A 33 ASN : amide:sc= -0.73 X(o=-0.72,f=-0.52) USER MOD Set 4.1: A 17 ASN : amide:sc= 0.615 K(o=1.2,f=-0.0097) USER MOD Set 4.2: A 18 SER OG : rot -113:sc= 0.593 USER MOD Set 5.1: A 9 SER OG : rot 102:sc= 0.101 USER MOD Set 5.2: A 16 SER OG : rot 108:sc= 1.26 USER MOD Single : A 1 MET CE :methyl 149:sc= -0.361 (180deg=-2.26) USER MOD Single : A 4 MET CE :methyl -117:sc= -0.528 (180deg=-5.63!) USER MOD Single : A 5 LYS NZ :NH3+ 149:sc= 1.22 (180deg=0.892) USER MOD Single : A 10 MET CE :methyl 165:sc= -0.513 (180deg=-1.63) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot 117:sc= 0.414 USER MOD Single : A 36 LYS NZ :NH3+ -173:sc= 0.987 (180deg=0.865) USER MOD Single : A 37 SER OG : rot 7:sc= 0.334 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0506) USER MOD Single : A 46 SER OG : rot 180:sc= 0 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 76:sc= 1.05 USER MOD Single : A 53 LYS NZ :NH3+ -172:sc= -0.0399 (180deg=-0.12) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 CYS SG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -152:sc= 0.747 (180deg=-0.249) USER MOD Single : A 63 ASN : amide:sc= 0.115 X(o=0.11,f=-0.017) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -3.16! C(o=-3.2!,f=-11!) USER MOD Single : A 69 TYR OH : rot -178:sc= 0.0921 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 73 SER OG : rot -93:sc= 1.26 USER MOD Single : A 74 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00936) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot -30:sc= 1.23 USER MOD Single : A 80 HIS : no HD1:sc= 0.103 K(o=0.1,f=-0.76) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= 0.831 K(o=0.83,f=-7.2!) USER MOD Single : A 91 SER OG : rot -77:sc= 1.2 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 16.341 -1.573 6.228 1.00 0.00 N ATOM 26 CA MET A 1 14.981 -1.929 6.623 1.00 0.00 C ATOM 27 C MET A 1 14.740 -3.410 6.356 1.00 0.00 C ATOM 28 O MET A 1 15.147 -3.896 5.298 1.00 0.00 O ATOM 29 CB MET A 1 13.979 -1.136 5.779 1.00 0.00 C ATOM 30 CG MET A 1 12.539 -1.501 6.152 1.00 0.00 C ATOM 31 SD MET A 1 12.177 -1.379 7.925 1.00 0.00 S ATOM 32 CE MET A 1 10.664 -2.366 8.020 1.00 0.00 C ATOM 0 H1 MET A 1 16.403 -0.545 6.086 1.00 0.00 H new ATOM 0 H2 MET A 1 17.006 -1.860 6.974 1.00 0.00 H new ATOM 0 H3 MET A 1 16.584 -2.060 5.342 1.00 0.00 H new ATOM 0 HA MET A 1 14.855 -1.706 7.682 1.00 0.00 H new ATOM 0 HB2 MET A 1 14.138 -0.068 5.928 1.00 0.00 H new ATOM 0 HB3 MET A 1 14.147 -1.339 4.721 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.858 -0.847 5.608 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.337 -2.519 5.820 1.00 0.00 H new ATOM 0 HE1 MET A 1 10.606 -2.850 8.995 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.798 -1.718 7.884 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.675 -3.125 7.238 1.00 0.00 H new ATOM 42 N ILE A 2 14.024 -4.095 7.256 1.00 0.00 N ATOM 43 CA ILE A 2 13.810 -5.540 7.219 1.00 0.00 C ATOM 44 C ILE A 2 12.354 -5.868 7.579 1.00 0.00 C ATOM 45 O ILE A 2 11.789 -5.249 8.483 1.00 0.00 O ATOM 46 CB ILE A 2 14.769 -6.254 8.193 1.00 0.00 C ATOM 47 CG1 ILE A 2 16.238 -5.777 8.071 1.00 0.00 C ATOM 48 CG2 ILE A 2 14.674 -7.771 7.961 1.00 0.00 C ATOM 49 CD1 ILE A 2 17.114 -6.186 9.249 1.00 0.00 C ATOM 0 H ILE A 2 13.567 -3.645 8.049 1.00 0.00 H new ATOM 0 HA ILE A 2 14.014 -5.894 6.208 1.00 0.00 H new ATOM 0 HB ILE A 2 14.458 -6.000 9.206 1.00 0.00 H new ATOM 0 HG12 ILE A 2 16.667 -6.180 7.153 1.00 0.00 H new ATOM 0 HG13 ILE A 2 16.252 -4.691 7.979 1.00 0.00 H new ATOM 0 HG21 ILE A 2 15.348 -8.287 8.645 1.00 0.00 H new ATOM 0 HG22 ILE A 2 13.651 -8.103 8.141 1.00 0.00 H new ATOM 0 HG23 ILE A 2 14.955 -8.000 6.933 1.00 0.00 H new ATOM 0 HD11 ILE A 2 18.128 -5.817 9.094 1.00 0.00 H new ATOM 0 HD12 ILE A 2 16.710 -5.761 10.168 1.00 0.00 H new ATOM 0 HD13 ILE A 2 17.131 -7.273 9.329 1.00 0.00 H new ATOM 61 N ASN A 3 11.785 -6.891 6.930 1.00 0.00 N ATOM 62 CA ASN A 3 10.386 -7.312 6.966 1.00 0.00 C ATOM 63 C ASN A 3 9.414 -6.140 6.852 1.00 0.00 C ATOM 64 O ASN A 3 8.422 -6.042 7.580 1.00 0.00 O ATOM 65 CB ASN A 3 10.026 -8.289 8.099 1.00 0.00 C ATOM 66 CG ASN A 3 8.620 -8.865 7.864 1.00 0.00 C ATOM 67 OD1 ASN A 3 8.301 -9.355 6.777 1.00 0.00 O ATOM 68 ND2 ASN A 3 7.733 -8.790 8.843 1.00 0.00 N ATOM 0 H ASN A 3 12.338 -7.491 6.318 1.00 0.00 H new ATOM 0 HA ASN A 3 10.263 -7.909 6.062 1.00 0.00 H new ATOM 0 HB2 ASN A 3 10.757 -9.096 8.141 1.00 0.00 H new ATOM 0 HB3 ASN A 3 10.062 -7.775 9.060 1.00 0.00 H new ATOM 0 HD21 ASN A 3 6.785 -9.137 8.700 1.00 0.00 H new ATOM 0 HD22 ASN A 3 7.998 -8.385 9.741 1.00 0.00 H new ATOM 75 N MET A 4 9.672 -5.233 5.919 1.00 0.00 N ATOM 76 CA MET A 4 8.645 -4.301 5.485 1.00 0.00 C ATOM 77 C MET A 4 7.654 -5.109 4.651 1.00 0.00 C ATOM 78 O MET A 4 8.048 -5.994 3.876 1.00 0.00 O ATOM 79 CB MET A 4 9.276 -3.216 4.620 1.00 0.00 C ATOM 80 CG MET A 4 8.403 -1.993 4.335 1.00 0.00 C ATOM 81 SD MET A 4 8.195 -0.832 5.713 1.00 0.00 S ATOM 82 CE MET A 4 9.439 0.461 5.344 1.00 0.00 C ATOM 0 H MET A 4 10.573 -5.125 5.454 1.00 0.00 H new ATOM 0 HA MET A 4 8.154 -3.824 6.333 1.00 0.00 H new ATOM 0 HB2 MET A 4 10.192 -2.879 5.106 1.00 0.00 H new ATOM 0 HB3 MET A 4 9.565 -3.661 3.668 1.00 0.00 H new ATOM 0 HG2 MET A 4 8.832 -1.453 3.491 1.00 0.00 H new ATOM 0 HG3 MET A 4 7.417 -2.339 4.024 1.00 0.00 H new ATOM 0 HE1 MET A 4 10.184 0.487 6.139 1.00 0.00 H new ATOM 0 HE2 MET A 4 9.928 0.236 4.396 1.00 0.00 H new ATOM 0 HE3 MET A 4 8.947 1.431 5.277 1.00 0.00 H new ATOM 92 N LYS A 5 6.383 -4.743 4.736 1.00 0.00 N ATOM 93 CA LYS A 5 5.356 -5.149 3.786 1.00 0.00 C ATOM 94 C LYS A 5 4.532 -3.922 3.485 1.00 0.00 C ATOM 95 O LYS A 5 4.149 -3.222 4.424 1.00 0.00 O ATOM 96 CB LYS A 5 4.413 -6.199 4.390 1.00 0.00 C ATOM 97 CG LYS A 5 4.842 -7.614 4.102 1.00 0.00 C ATOM 98 CD LYS A 5 3.750 -8.587 4.541 1.00 0.00 C ATOM 99 CE LYS A 5 4.215 -9.999 4.224 1.00 0.00 C ATOM 100 NZ LYS A 5 4.127 -10.349 2.789 1.00 0.00 N ATOM 0 H LYS A 5 6.029 -4.144 5.482 1.00 0.00 H new ATOM 0 HA LYS A 5 5.832 -5.575 2.903 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.361 -6.054 5.469 1.00 0.00 H new ATOM 0 HB3 LYS A 5 3.408 -6.044 3.999 1.00 0.00 H new ATOM 0 HG2 LYS A 5 5.041 -7.733 3.037 1.00 0.00 H new ATOM 0 HG3 LYS A 5 5.771 -7.836 4.627 1.00 0.00 H new ATOM 0 HD2 LYS A 5 3.554 -8.482 5.608 1.00 0.00 H new ATOM 0 HD3 LYS A 5 2.816 -8.369 4.023 1.00 0.00 H new ATOM 0 HE2 LYS A 5 5.248 -10.114 4.554 1.00 0.00 H new ATOM 0 HE3 LYS A 5 3.616 -10.706 4.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 4.879 -11.026 2.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 3.200 -10.778 2.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 4.240 -9.489 2.214 1.00 0.00 H new ATOM 114 N VAL A 6 4.187 -3.727 2.220 1.00 0.00 N ATOM 115 CA VAL A 6 3.319 -2.648 1.803 1.00 0.00 C ATOM 116 C VAL A 6 2.356 -3.197 0.776 1.00 0.00 C ATOM 117 O VAL A 6 2.796 -3.947 -0.088 1.00 0.00 O ATOM 118 CB VAL A 6 4.166 -1.516 1.216 1.00 0.00 C ATOM 119 CG1 VAL A 6 3.314 -0.406 0.611 1.00 0.00 C ATOM 120 CG2 VAL A 6 5.054 -0.897 2.284 1.00 0.00 C ATOM 0 H VAL A 6 4.506 -4.320 1.454 1.00 0.00 H new ATOM 0 HA VAL A 6 2.757 -2.246 2.646 1.00 0.00 H new ATOM 0 HB VAL A 6 4.769 -1.968 0.429 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.963 0.372 0.209 1.00 0.00 H new ATOM 0 HG12 VAL A 6 2.698 -0.815 -0.190 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.671 0.020 1.381 1.00 0.00 H new ATOM 0 HG21 VAL A 6 5.647 -0.095 1.844 1.00 0.00 H new ATOM 0 HG22 VAL A 6 4.433 -0.493 3.084 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.719 -1.659 2.691 1.00 0.00 H new ATOM 130 N ALA A 7 1.093 -2.776 0.830 1.00 0.00 N ATOM 131 CA ALA A 7 0.081 -3.065 -0.173 1.00 0.00 C ATOM 132 C ALA A 7 -0.166 -1.801 -1.000 1.00 0.00 C ATOM 133 O ALA A 7 -0.876 -0.900 -0.556 1.00 0.00 O ATOM 134 CB ALA A 7 -1.188 -3.574 0.522 1.00 0.00 C ATOM 0 H ALA A 7 0.740 -2.207 1.599 1.00 0.00 H new ATOM 0 HA ALA A 7 0.412 -3.849 -0.855 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -1.950 -3.792 -0.226 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -0.958 -4.481 1.081 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -1.559 -2.811 1.206 1.00 0.00 H new ATOM 140 N ILE A 8 0.439 -1.702 -2.184 1.00 0.00 N ATOM 141 CA ILE A 8 0.312 -0.532 -3.057 1.00 0.00 C ATOM 142 C ILE A 8 -0.877 -0.788 -3.981 1.00 0.00 C ATOM 143 O ILE A 8 -0.822 -1.730 -4.774 1.00 0.00 O ATOM 144 CB ILE A 8 1.624 -0.283 -3.840 1.00 0.00 C ATOM 145 CG1 ILE A 8 2.801 -0.198 -2.845 1.00 0.00 C ATOM 146 CG2 ILE A 8 1.486 1.006 -4.678 1.00 0.00 C ATOM 147 CD1 ILE A 8 4.140 0.208 -3.444 1.00 0.00 C ATOM 0 H ILE A 8 1.035 -2.435 -2.568 1.00 0.00 H new ATOM 0 HA ILE A 8 0.137 0.374 -2.477 1.00 0.00 H new ATOM 0 HB ILE A 8 1.821 -1.107 -4.526 1.00 0.00 H new ATOM 0 HG12 ILE A 8 2.542 0.516 -2.063 1.00 0.00 H new ATOM 0 HG13 ILE A 8 2.918 -1.169 -2.364 1.00 0.00 H new ATOM 0 HG21 ILE A 8 2.410 1.182 -5.230 1.00 0.00 H new ATOM 0 HG22 ILE A 8 0.659 0.897 -5.380 1.00 0.00 H new ATOM 0 HG23 ILE A 8 1.292 1.851 -4.017 1.00 0.00 H new ATOM 0 HD11 ILE A 8 4.896 0.237 -2.659 1.00 0.00 H new ATOM 0 HD12 ILE A 8 4.433 -0.516 -4.204 1.00 0.00 H new ATOM 0 HD13 ILE A 8 4.051 1.195 -3.898 1.00 0.00 H new ATOM 159 N SER A 9 -1.959 -0.015 -3.873 1.00 0.00 N ATOM 160 CA SER A 9 -3.120 -0.186 -4.739 1.00 0.00 C ATOM 161 C SER A 9 -2.772 0.211 -6.183 1.00 0.00 C ATOM 162 O SER A 9 -2.252 1.311 -6.386 1.00 0.00 O ATOM 163 CB SER A 9 -4.253 0.662 -4.156 1.00 0.00 C ATOM 164 OG SER A 9 -3.836 2.003 -3.990 1.00 0.00 O ATOM 0 H SER A 9 -2.052 0.737 -3.191 1.00 0.00 H new ATOM 0 HA SER A 9 -3.436 -1.228 -4.779 1.00 0.00 H new ATOM 0 HB2 SER A 9 -5.120 0.624 -4.816 1.00 0.00 H new ATOM 0 HB3 SER A 9 -4.565 0.251 -3.196 1.00 0.00 H new ATOM 0 HG SER A 9 -4.200 2.551 -4.716 1.00 0.00 H new ATOM 170 N MET A 10 -3.047 -0.638 -7.179 1.00 0.00 N ATOM 171 CA MET A 10 -2.798 -0.371 -8.594 1.00 0.00 C ATOM 172 C MET A 10 -4.066 -0.596 -9.421 1.00 0.00 C ATOM 173 O MET A 10 -4.989 -1.272 -8.963 1.00 0.00 O ATOM 174 CB MET A 10 -1.686 -1.268 -9.145 1.00 0.00 C ATOM 175 CG MET A 10 -0.395 -1.335 -8.327 1.00 0.00 C ATOM 176 SD MET A 10 1.083 -1.777 -9.292 1.00 0.00 S ATOM 177 CE MET A 10 1.278 -0.339 -10.392 1.00 0.00 C ATOM 0 H MET A 10 -3.461 -1.556 -7.015 1.00 0.00 H new ATOM 0 HA MET A 10 -2.488 0.671 -8.672 1.00 0.00 H new ATOM 0 HB2 MET A 10 -2.081 -2.279 -9.243 1.00 0.00 H new ATOM 0 HB3 MET A 10 -1.436 -0.924 -10.149 1.00 0.00 H new ATOM 0 HG2 MET A 10 -0.229 -0.368 -7.853 1.00 0.00 H new ATOM 0 HG3 MET A 10 -0.523 -2.064 -7.527 1.00 0.00 H new ATOM 0 HE1 MET A 10 2.273 -0.353 -10.837 1.00 0.00 H new ATOM 0 HE2 MET A 10 0.527 -0.380 -11.181 1.00 0.00 H new ATOM 0 HE3 MET A 10 1.151 0.578 -9.817 1.00 0.00 H new ATOM 187 N ASP A 11 -4.095 -0.047 -10.637 1.00 0.00 N ATOM 188 CA ASP A 11 -5.205 -0.162 -11.595 1.00 0.00 C ATOM 189 C ASP A 11 -4.807 -1.109 -12.727 1.00 0.00 C ATOM 190 O ASP A 11 -5.430 -2.150 -12.900 1.00 0.00 O ATOM 191 CB ASP A 11 -5.599 1.230 -12.134 1.00 0.00 C ATOM 192 CG ASP A 11 -7.120 1.400 -12.276 1.00 0.00 C ATOM 193 OD1 ASP A 11 -7.693 1.066 -13.341 1.00 0.00 O ATOM 194 OD2 ASP A 11 -7.739 1.917 -11.315 1.00 0.00 O ATOM 0 H ASP A 11 -3.321 0.510 -10.998 1.00 0.00 H new ATOM 0 HA ASP A 11 -6.078 -0.576 -11.091 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -5.212 1.998 -11.464 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -5.127 1.387 -13.104 1.00 0.00 H new ATOM 199 N VAL A 12 -3.771 -0.794 -13.507 1.00 0.00 N ATOM 200 CA VAL A 12 -3.369 -1.641 -14.624 1.00 0.00 C ATOM 201 C VAL A 12 -1.865 -1.547 -14.814 1.00 0.00 C ATOM 202 O VAL A 12 -1.221 -2.591 -14.940 1.00 0.00 O ATOM 203 CB VAL A 12 -4.101 -1.206 -15.922 1.00 0.00 C ATOM 204 CG1 VAL A 12 -3.707 -2.077 -17.125 1.00 0.00 C ATOM 205 CG2 VAL A 12 -5.639 -1.198 -15.832 1.00 0.00 C ATOM 0 H VAL A 12 -3.198 0.041 -13.383 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.641 -2.674 -14.405 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.770 -0.176 -16.059 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.243 -1.737 -18.011 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.634 -1.996 -17.297 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -3.965 -3.116 -16.922 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.058 -0.881 -16.787 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -5.995 -2.201 -15.595 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.954 -0.507 -15.050 1.00 0.00 H new ATOM 215 N ASP A 13 -1.304 -0.332 -14.802 1.00 0.00 N ATOM 216 CA ASP A 13 0.112 -0.099 -15.084 1.00 0.00 C ATOM 217 C ASP A 13 0.718 0.968 -14.165 1.00 0.00 C ATOM 218 O ASP A 13 1.885 1.319 -14.328 1.00 0.00 O ATOM 219 CB ASP A 13 0.226 0.311 -16.574 1.00 0.00 C ATOM 220 CG ASP A 13 1.403 -0.221 -17.381 1.00 0.00 C ATOM 221 OD1 ASP A 13 2.270 -0.940 -16.855 1.00 0.00 O ATOM 222 OD2 ASP A 13 1.401 0.080 -18.603 1.00 0.00 O ATOM 0 H ASP A 13 -1.825 0.520 -14.595 1.00 0.00 H new ATOM 0 HA ASP A 13 0.679 -1.010 -14.892 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -0.690 -0.002 -17.076 1.00 0.00 H new ATOM 0 HB3 ASP A 13 0.258 1.400 -16.618 1.00 0.00 H new ATOM 227 N LYS A 14 -0.055 1.508 -13.210 1.00 0.00 N ATOM 228 CA LYS A 14 0.375 2.516 -12.238 1.00 0.00 C ATOM 229 C LYS A 14 -0.533 2.494 -11.003 1.00 0.00 C ATOM 230 O LYS A 14 -1.483 1.701 -10.956 1.00 0.00 O ATOM 231 CB LYS A 14 0.448 3.896 -12.913 1.00 0.00 C ATOM 232 CG LYS A 14 -0.842 4.410 -13.581 1.00 0.00 C ATOM 233 CD LYS A 14 -0.554 5.666 -14.428 1.00 0.00 C ATOM 234 CE LYS A 14 0.265 5.325 -15.686 1.00 0.00 C ATOM 235 NZ LYS A 14 0.747 6.526 -16.402 1.00 0.00 N ATOM 0 H LYS A 14 -1.033 1.242 -13.092 1.00 0.00 H new ATOM 0 HA LYS A 14 1.379 2.283 -11.883 1.00 0.00 H new ATOM 0 HB2 LYS A 14 0.757 4.625 -12.164 1.00 0.00 H new ATOM 0 HB3 LYS A 14 1.233 3.864 -13.669 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -1.267 3.629 -14.212 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.585 4.642 -12.818 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -1.495 6.132 -14.721 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.011 6.395 -13.826 1.00 0.00 H new ATOM 0 HE2 LYS A 14 1.119 4.710 -15.402 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -0.347 4.727 -16.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 1.291 6.236 -17.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.066 7.102 -16.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 1.355 7.086 -15.771 1.00 0.00 H new ATOM 249 N ILE A 15 -0.201 3.297 -9.983 1.00 0.00 N ATOM 250 CA ILE A 15 -0.973 3.370 -8.735 1.00 0.00 C ATOM 251 C ILE A 15 -2.415 3.760 -9.090 1.00 0.00 C ATOM 252 O ILE A 15 -2.645 4.566 -9.994 1.00 0.00 O ATOM 253 CB ILE A 15 -0.323 4.351 -7.720 1.00 0.00 C ATOM 254 CG1 ILE A 15 1.122 3.915 -7.388 1.00 0.00 C ATOM 255 CG2 ILE A 15 -1.118 4.481 -6.404 1.00 0.00 C ATOM 256 CD1 ILE A 15 1.888 4.865 -6.461 1.00 0.00 C ATOM 0 H ILE A 15 0.611 3.915 -10.000 1.00 0.00 H new ATOM 0 HA ILE A 15 -0.978 2.400 -8.239 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.325 5.326 -8.207 1.00 0.00 H new ATOM 0 HG12 ILE A 15 1.091 2.928 -6.927 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.678 3.814 -8.320 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.610 5.180 -5.740 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -2.121 4.849 -6.620 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.185 3.506 -5.922 1.00 0.00 H new ATOM 0 HD11 ILE A 15 2.890 4.474 -6.287 1.00 0.00 H new ATOM 0 HD12 ILE A 15 1.958 5.849 -6.925 1.00 0.00 H new ATOM 0 HD13 ILE A 15 1.361 4.949 -5.510 1.00 0.00 H new ATOM 268 N SER A 16 -3.389 3.169 -8.400 1.00 0.00 N ATOM 269 CA SER A 16 -4.793 3.457 -8.631 1.00 0.00 C ATOM 270 C SER A 16 -5.145 4.868 -8.136 1.00 0.00 C ATOM 271 O SER A 16 -4.488 5.416 -7.246 1.00 0.00 O ATOM 272 CB SER A 16 -5.629 2.374 -7.944 1.00 0.00 C ATOM 273 OG SER A 16 -5.471 2.388 -6.540 1.00 0.00 O ATOM 0 H SER A 16 -3.222 2.479 -7.668 1.00 0.00 H new ATOM 0 HA SER A 16 -5.013 3.442 -9.698 1.00 0.00 H new ATOM 0 HB2 SER A 16 -6.681 2.518 -8.191 1.00 0.00 H new ATOM 0 HB3 SER A 16 -5.342 1.396 -8.330 1.00 0.00 H new ATOM 0 HG SER A 16 -6.286 2.737 -6.123 1.00 0.00 H new ATOM 279 N ASN A 17 -6.238 5.432 -8.640 1.00 0.00 N ATOM 280 CA ASN A 17 -6.798 6.707 -8.204 1.00 0.00 C ATOM 281 C ASN A 17 -7.291 6.631 -6.757 1.00 0.00 C ATOM 282 O ASN A 17 -7.182 7.619 -6.029 1.00 0.00 O ATOM 283 CB ASN A 17 -7.964 7.060 -9.132 1.00 0.00 C ATOM 284 CG ASN A 17 -8.517 8.454 -8.894 1.00 0.00 C ATOM 285 OD1 ASN A 17 -8.151 9.401 -9.591 1.00 0.00 O ATOM 286 ND2 ASN A 17 -9.457 8.593 -7.979 1.00 0.00 N ATOM 0 H ASN A 17 -6.777 4.999 -9.390 1.00 0.00 H new ATOM 0 HA ASN A 17 -6.024 7.473 -8.249 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -7.633 6.979 -10.167 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -8.763 6.331 -8.995 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -9.899 9.501 -7.836 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -9.742 7.792 -7.415 1.00 0.00 H new ATOM 293 N SER A 18 -7.819 5.475 -6.331 1.00 0.00 N ATOM 294 CA SER A 18 -8.349 5.277 -4.978 1.00 0.00 C ATOM 295 C SER A 18 -8.153 3.833 -4.504 1.00 0.00 C ATOM 296 O SER A 18 -7.809 2.960 -5.308 1.00 0.00 O ATOM 297 CB SER A 18 -9.820 5.745 -4.900 1.00 0.00 C ATOM 298 OG SER A 18 -10.229 6.555 -5.990 1.00 0.00 O ATOM 0 H SER A 18 -7.890 4.646 -6.921 1.00 0.00 H new ATOM 0 HA SER A 18 -7.780 5.898 -4.286 1.00 0.00 H new ATOM 0 HB2 SER A 18 -10.466 4.869 -4.850 1.00 0.00 H new ATOM 0 HB3 SER A 18 -9.964 6.301 -3.974 1.00 0.00 H new ATOM 0 HG SER A 18 -10.411 7.464 -5.672 1.00 0.00 H new ATOM 304 N PHE A 19 -8.344 3.566 -3.205 1.00 0.00 N ATOM 305 CA PHE A 19 -8.235 2.234 -2.631 1.00 0.00 C ATOM 306 C PHE A 19 -9.454 1.443 -3.079 1.00 0.00 C ATOM 307 O PHE A 19 -9.316 0.387 -3.679 1.00 0.00 O ATOM 308 CB PHE A 19 -8.151 2.323 -1.098 1.00 0.00 C ATOM 309 CG PHE A 19 -8.041 0.983 -0.384 1.00 0.00 C ATOM 310 CD1 PHE A 19 -9.174 0.161 -0.214 1.00 0.00 C ATOM 311 CD2 PHE A 19 -6.794 0.539 0.099 1.00 0.00 C ATOM 312 CE1 PHE A 19 -9.057 -1.090 0.412 1.00 0.00 C ATOM 313 CE2 PHE A 19 -6.679 -0.724 0.707 1.00 0.00 C ATOM 314 CZ PHE A 19 -7.809 -1.541 0.866 1.00 0.00 C ATOM 0 H PHE A 19 -8.581 4.284 -2.521 1.00 0.00 H new ATOM 0 HA PHE A 19 -7.328 1.734 -2.970 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -7.288 2.933 -0.831 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -9.035 2.843 -0.730 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -10.138 0.496 -0.568 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -5.923 1.171 0.002 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -9.932 -1.708 0.545 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -5.715 -1.067 1.054 1.00 0.00 H new ATOM 0 HZ PHE A 19 -7.718 -2.510 1.334 1.00 0.00 H new ATOM 324 N GLU A 20 -10.645 2.002 -2.837 1.00 0.00 N ATOM 325 CA GLU A 20 -11.949 1.375 -3.112 1.00 0.00 C ATOM 326 C GLU A 20 -12.277 1.372 -4.614 1.00 0.00 C ATOM 327 O GLU A 20 -13.434 1.255 -5.014 1.00 0.00 O ATOM 328 CB GLU A 20 -13.034 2.086 -2.268 1.00 0.00 C ATOM 329 CG GLU A 20 -13.725 1.165 -1.250 1.00 0.00 C ATOM 330 CD GLU A 20 -14.928 0.406 -1.823 1.00 0.00 C ATOM 331 OE1 GLU A 20 -16.057 0.946 -1.739 1.00 0.00 O ATOM 332 OE2 GLU A 20 -14.802 -0.774 -2.227 1.00 0.00 O ATOM 0 H GLU A 20 -10.734 2.934 -2.431 1.00 0.00 H new ATOM 0 HA GLU A 20 -11.914 0.325 -2.821 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -12.579 2.923 -1.738 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -13.787 2.504 -2.937 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -12.999 0.445 -0.873 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -14.054 1.761 -0.399 1.00 0.00 H new ATOM 339 N ASP A 21 -11.252 1.558 -5.441 1.00 0.00 N ATOM 340 CA ASP A 21 -11.324 1.748 -6.878 1.00 0.00 C ATOM 341 C ASP A 21 -10.120 1.101 -7.578 1.00 0.00 C ATOM 342 O ASP A 21 -9.907 1.293 -8.776 1.00 0.00 O ATOM 343 CB ASP A 21 -11.367 3.259 -7.145 1.00 0.00 C ATOM 344 CG ASP A 21 -11.850 3.530 -8.559 1.00 0.00 C ATOM 345 OD1 ASP A 21 -13.042 3.243 -8.805 1.00 0.00 O ATOM 346 OD2 ASP A 21 -11.058 3.997 -9.410 1.00 0.00 O ATOM 0 H ASP A 21 -10.291 1.581 -5.099 1.00 0.00 H new ATOM 0 HA ASP A 21 -12.218 1.269 -7.278 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -12.030 3.743 -6.428 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -10.375 3.689 -7.003 1.00 0.00 H new ATOM 351 N CYS A 22 -9.266 0.383 -6.838 1.00 0.00 N ATOM 352 CA CYS A 22 -8.125 -0.288 -7.434 1.00 0.00 C ATOM 353 C CYS A 22 -8.566 -1.602 -8.083 1.00 0.00 C ATOM 354 O CYS A 22 -9.698 -2.062 -7.924 1.00 0.00 O ATOM 355 CB CYS A 22 -7.018 -0.456 -6.383 1.00 0.00 C ATOM 356 SG CYS A 22 -7.374 -1.778 -5.212 1.00 0.00 S ATOM 0 H CYS A 22 -9.351 0.257 -5.829 1.00 0.00 H new ATOM 0 HA CYS A 22 -7.702 0.317 -8.236 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -6.073 -0.664 -6.885 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -6.891 0.481 -5.841 1.00 0.00 H new ATOM 0 HG CYS A 22 -6.719 -1.568 -4.109 1.00 0.00 H new ATOM 362 N LYS A 23 -7.640 -2.230 -8.796 1.00 0.00 N ATOM 363 CA LYS A 23 -7.807 -3.515 -9.462 1.00 0.00 C ATOM 364 C LYS A 23 -6.950 -4.577 -8.796 1.00 0.00 C ATOM 365 O LYS A 23 -7.263 -5.763 -8.899 1.00 0.00 O ATOM 366 CB LYS A 23 -7.348 -3.363 -10.908 1.00 0.00 C ATOM 367 CG LYS A 23 -8.391 -2.817 -11.887 1.00 0.00 C ATOM 368 CD LYS A 23 -9.115 -1.524 -11.512 1.00 0.00 C ATOM 369 CE LYS A 23 -10.003 -1.102 -12.684 1.00 0.00 C ATOM 370 NZ LYS A 23 -11.276 -1.857 -12.744 1.00 0.00 N ATOM 0 H LYS A 23 -6.708 -1.839 -8.932 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.853 -3.816 -9.406 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -6.481 -2.703 -10.926 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -7.015 -4.337 -11.267 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.899 -2.659 -12.846 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -9.144 -3.590 -12.039 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -9.718 -1.674 -10.616 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -8.394 -0.740 -11.283 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -10.221 -0.037 -12.603 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -9.457 -1.245 -13.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.836 -1.529 -13.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -11.073 -2.872 -12.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -11.814 -1.701 -11.868 1.00 0.00 H new ATOM 384 N TYR A 24 -5.865 -4.200 -8.120 1.00 0.00 N ATOM 385 CA TYR A 24 -5.114 -5.104 -7.271 1.00 0.00 C ATOM 386 C TYR A 24 -4.269 -4.312 -6.283 1.00 0.00 C ATOM 387 O TYR A 24 -4.182 -3.085 -6.354 1.00 0.00 O ATOM 388 CB TYR A 24 -4.256 -6.059 -8.118 1.00 0.00 C ATOM 389 CG TYR A 24 -3.116 -5.452 -8.899 1.00 0.00 C ATOM 390 CD1 TYR A 24 -3.334 -4.963 -10.200 1.00 0.00 C ATOM 391 CD2 TYR A 24 -1.818 -5.489 -8.366 1.00 0.00 C ATOM 392 CE1 TYR A 24 -2.252 -4.541 -10.998 1.00 0.00 C ATOM 393 CE2 TYR A 24 -0.735 -5.080 -9.146 1.00 0.00 C ATOM 394 CZ TYR A 24 -0.935 -4.658 -10.476 1.00 0.00 C ATOM 395 OH TYR A 24 0.173 -4.406 -11.223 1.00 0.00 O ATOM 0 H TYR A 24 -5.486 -3.253 -8.151 1.00 0.00 H new ATOM 0 HA TYR A 24 -5.811 -5.717 -6.700 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -3.844 -6.821 -7.456 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -4.913 -6.570 -8.822 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -4.340 -4.911 -10.591 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -1.658 -5.833 -7.355 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -2.420 -4.137 -11.985 1.00 0.00 H new ATOM 0 HE2 TYR A 24 0.261 -5.087 -8.728 1.00 0.00 H new ATOM 0 HH TYR A 24 0.659 -3.645 -10.841 1.00 0.00 H new ATOM 405 N PHE A 25 -3.612 -5.033 -5.382 1.00 0.00 N ATOM 406 CA PHE A 25 -2.610 -4.520 -4.475 1.00 0.00 C ATOM 407 C PHE A 25 -1.328 -5.259 -4.764 1.00 0.00 C ATOM 408 O PHE A 25 -1.314 -6.491 -4.814 1.00 0.00 O ATOM 409 CB PHE A 25 -3.023 -4.725 -3.026 1.00 0.00 C ATOM 410 CG PHE A 25 -4.312 -4.018 -2.709 1.00 0.00 C ATOM 411 CD1 PHE A 25 -5.524 -4.685 -2.939 1.00 0.00 C ATOM 412 CD2 PHE A 25 -4.305 -2.691 -2.252 1.00 0.00 C ATOM 413 CE1 PHE A 25 -6.741 -4.050 -2.644 1.00 0.00 C ATOM 414 CE2 PHE A 25 -5.526 -2.053 -1.976 1.00 0.00 C ATOM 415 CZ PHE A 25 -6.744 -2.741 -2.142 1.00 0.00 C ATOM 0 H PHE A 25 -3.775 -6.033 -5.264 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.485 -3.447 -4.622 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -3.134 -5.791 -2.827 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -2.235 -4.358 -2.368 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -5.521 -5.687 -3.343 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -3.371 -2.166 -2.114 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -7.674 -4.570 -2.804 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -5.531 -1.028 -1.634 1.00 0.00 H new ATOM 0 HZ PHE A 25 -7.677 -2.262 -1.883 1.00 0.00 H new ATOM 425 N LEU A 26 -0.268 -4.504 -5.008 1.00 0.00 N ATOM 426 CA LEU A 26 1.069 -5.045 -5.109 1.00 0.00 C ATOM 427 C LEU A 26 1.595 -5.178 -3.678 1.00 0.00 C ATOM 428 O LEU A 26 1.779 -4.150 -3.023 1.00 0.00 O ATOM 429 CB LEU A 26 1.919 -4.115 -5.996 1.00 0.00 C ATOM 430 CG LEU A 26 3.195 -4.742 -6.566 1.00 0.00 C ATOM 431 CD1 LEU A 26 4.117 -5.252 -5.468 1.00 0.00 C ATOM 432 CD2 LEU A 26 2.895 -5.837 -7.602 1.00 0.00 C ATOM 0 H LEU A 26 -0.317 -3.494 -5.141 1.00 0.00 H new ATOM 0 HA LEU A 26 1.101 -6.027 -5.582 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.303 -3.767 -6.825 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.195 -3.236 -5.413 1.00 0.00 H new ATOM 0 HG LEU A 26 3.722 -3.945 -7.090 1.00 0.00 H new ATOM 0 HD11 LEU A 26 5.010 -5.689 -5.916 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.404 -4.424 -4.820 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.598 -6.009 -4.880 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.832 -6.250 -7.976 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.310 -6.629 -7.135 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.331 -5.409 -8.431 1.00 0.00 H new ATOM 444 N ILE A 27 1.791 -6.399 -3.158 1.00 0.00 N ATOM 445 CA ILE A 27 2.503 -6.576 -1.895 1.00 0.00 C ATOM 446 C ILE A 27 3.998 -6.482 -2.193 1.00 0.00 C ATOM 447 O ILE A 27 4.581 -7.405 -2.771 1.00 0.00 O ATOM 448 CB ILE A 27 2.122 -7.836 -1.088 1.00 0.00 C ATOM 449 CG1 ILE A 27 0.602 -8.010 -0.891 1.00 0.00 C ATOM 450 CG2 ILE A 27 2.843 -7.830 0.273 1.00 0.00 C ATOM 451 CD1 ILE A 27 -0.106 -6.809 -0.256 1.00 0.00 C ATOM 0 H ILE A 27 1.469 -7.265 -3.590 1.00 0.00 H new ATOM 0 HA ILE A 27 2.195 -5.779 -1.219 1.00 0.00 H new ATOM 0 HB ILE A 27 2.449 -8.691 -1.679 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.145 -8.212 -1.860 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.429 -8.887 -0.267 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.568 -8.723 0.835 1.00 0.00 H new ATOM 0 HG22 ILE A 27 3.921 -7.820 0.114 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.551 -6.943 0.835 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -1.170 -7.024 -0.158 1.00 0.00 H new ATOM 0 HD12 ILE A 27 0.318 -6.616 0.730 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.030 -5.931 -0.887 1.00 0.00 H new ATOM 463 N VAL A 28 4.604 -5.351 -1.847 1.00 0.00 N ATOM 464 CA VAL A 28 6.045 -5.152 -1.914 1.00 0.00 C ATOM 465 C VAL A 28 6.677 -5.902 -0.730 1.00 0.00 C ATOM 466 O VAL A 28 6.072 -6.040 0.342 1.00 0.00 O ATOM 467 CB VAL A 28 6.363 -3.634 -1.920 1.00 0.00 C ATOM 468 CG1 VAL A 28 7.846 -3.348 -2.201 1.00 0.00 C ATOM 469 CG2 VAL A 28 5.595 -2.886 -3.017 1.00 0.00 C ATOM 0 H VAL A 28 4.098 -4.534 -1.506 1.00 0.00 H new ATOM 0 HA VAL A 28 6.468 -5.554 -2.835 1.00 0.00 H new ATOM 0 HB VAL A 28 6.074 -3.295 -0.925 1.00 0.00 H new ATOM 0 HG11 VAL A 28 8.017 -2.271 -2.194 1.00 0.00 H new ATOM 0 HG12 VAL A 28 8.459 -3.817 -1.432 1.00 0.00 H new ATOM 0 HG13 VAL A 28 8.116 -3.752 -3.177 1.00 0.00 H new ATOM 0 HG21 VAL A 28 5.850 -1.827 -2.982 1.00 0.00 H new ATOM 0 HG22 VAL A 28 5.865 -3.292 -3.992 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.523 -3.007 -2.858 1.00 0.00 H new ATOM 479 N ARG A 29 7.915 -6.376 -0.895 1.00 0.00 N ATOM 480 CA ARG A 29 8.731 -6.974 0.160 1.00 0.00 C ATOM 481 C ARG A 29 10.036 -6.182 0.185 1.00 0.00 C ATOM 482 O ARG A 29 10.764 -6.217 -0.811 1.00 0.00 O ATOM 483 CB ARG A 29 8.986 -8.462 -0.192 1.00 0.00 C ATOM 484 CG ARG A 29 9.532 -9.311 0.970 1.00 0.00 C ATOM 485 CD ARG A 29 10.365 -10.498 0.472 1.00 0.00 C ATOM 486 NE ARG A 29 10.753 -11.381 1.575 1.00 0.00 N ATOM 487 CZ ARG A 29 10.594 -12.702 1.687 1.00 0.00 C ATOM 488 NH1 ARG A 29 9.858 -13.390 0.818 1.00 0.00 N ATOM 489 NH2 ARG A 29 11.200 -13.320 2.692 1.00 0.00 N ATOM 0 H ARG A 29 8.391 -6.352 -1.797 1.00 0.00 H new ATOM 0 HA ARG A 29 8.248 -6.940 1.137 1.00 0.00 H new ATOM 0 HB2 ARG A 29 8.053 -8.904 -0.541 1.00 0.00 H new ATOM 0 HB3 ARG A 29 9.691 -8.510 -1.022 1.00 0.00 H new ATOM 0 HG2 ARG A 29 10.144 -8.685 1.620 1.00 0.00 H new ATOM 0 HG3 ARG A 29 8.701 -9.678 1.572 1.00 0.00 H new ATOM 0 HD2 ARG A 29 9.792 -11.063 -0.264 1.00 0.00 H new ATOM 0 HD3 ARG A 29 11.258 -10.131 -0.033 1.00 0.00 H new ATOM 0 HE ARG A 29 11.207 -10.924 2.366 1.00 0.00 H new ATOM 0 HH11 ARG A 29 9.400 -12.909 0.044 1.00 0.00 H new ATOM 0 HH12 ARG A 29 9.752 -14.399 0.926 1.00 0.00 H new ATOM 0 HH21 ARG A 29 11.767 -12.787 3.351 1.00 0.00 H new ATOM 0 HH22 ARG A 29 11.099 -14.329 2.806 1.00 0.00 H new ATOM 503 N ILE A 30 10.340 -5.477 1.275 1.00 0.00 N ATOM 504 CA ILE A 30 11.664 -4.905 1.504 1.00 0.00 C ATOM 505 C ILE A 30 12.213 -5.633 2.722 1.00 0.00 C ATOM 506 O ILE A 30 11.569 -5.652 3.771 1.00 0.00 O ATOM 507 CB ILE A 30 11.648 -3.360 1.654 1.00 0.00 C ATOM 508 CG1 ILE A 30 11.180 -2.636 0.371 1.00 0.00 C ATOM 509 CG2 ILE A 30 13.022 -2.834 2.082 1.00 0.00 C ATOM 510 CD1 ILE A 30 9.748 -2.103 0.495 1.00 0.00 C ATOM 0 H ILE A 30 9.674 -5.287 2.024 1.00 0.00 H new ATOM 0 HA ILE A 30 12.313 -5.051 0.640 1.00 0.00 H new ATOM 0 HB ILE A 30 10.920 -3.139 2.434 1.00 0.00 H new ATOM 0 HG12 ILE A 30 11.856 -1.809 0.156 1.00 0.00 H new ATOM 0 HG13 ILE A 30 11.238 -3.323 -0.473 1.00 0.00 H new ATOM 0 HG21 ILE A 30 12.982 -1.749 2.179 1.00 0.00 H new ATOM 0 HG22 ILE A 30 13.298 -3.274 3.040 1.00 0.00 H new ATOM 0 HG23 ILE A 30 13.765 -3.104 1.331 1.00 0.00 H new ATOM 0 HD11 ILE A 30 9.465 -1.603 -0.431 1.00 0.00 H new ATOM 0 HD12 ILE A 30 9.066 -2.932 0.683 1.00 0.00 H new ATOM 0 HD13 ILE A 30 9.694 -1.394 1.322 1.00 0.00 H new ATOM 522 N ASP A 31 13.386 -6.241 2.559 1.00 0.00 N ATOM 523 CA ASP A 31 14.090 -6.978 3.616 1.00 0.00 C ATOM 524 C ASP A 31 15.521 -6.483 3.785 1.00 0.00 C ATOM 525 O ASP A 31 16.227 -6.946 4.681 1.00 0.00 O ATOM 526 CB ASP A 31 14.119 -8.487 3.338 1.00 0.00 C ATOM 527 CG ASP A 31 12.948 -9.277 3.924 1.00 0.00 C ATOM 528 OD1 ASP A 31 12.433 -8.913 5.006 1.00 0.00 O ATOM 529 OD2 ASP A 31 12.588 -10.299 3.296 1.00 0.00 O ATOM 0 H ASP A 31 13.888 -6.237 1.671 1.00 0.00 H new ATOM 0 HA ASP A 31 13.533 -6.796 4.535 1.00 0.00 H new ATOM 0 HB2 ASP A 31 14.138 -8.642 2.259 1.00 0.00 H new ATOM 0 HB3 ASP A 31 15.048 -8.896 3.735 1.00 0.00 H new ATOM 534 N ASP A 32 15.959 -5.573 2.909 1.00 0.00 N ATOM 535 CA ASP A 32 17.298 -5.009 2.954 1.00 0.00 C ATOM 536 C ASP A 32 17.287 -3.680 2.205 1.00 0.00 C ATOM 537 O ASP A 32 17.970 -3.511 1.204 1.00 0.00 O ATOM 538 CB ASP A 32 18.287 -6.026 2.360 1.00 0.00 C ATOM 539 CG ASP A 32 19.727 -5.857 2.822 1.00 0.00 C ATOM 540 OD1 ASP A 32 20.347 -4.777 2.688 1.00 0.00 O ATOM 541 OD2 ASP A 32 20.293 -6.900 3.222 1.00 0.00 O ATOM 0 H ASP A 32 15.386 -5.210 2.147 1.00 0.00 H new ATOM 0 HA ASP A 32 17.619 -4.809 3.976 1.00 0.00 H new ATOM 0 HB2 ASP A 32 17.953 -7.031 2.618 1.00 0.00 H new ATOM 0 HB3 ASP A 32 18.257 -5.949 1.273 1.00 0.00 H new ATOM 546 N ASN A 33 16.392 -2.778 2.624 1.00 0.00 N ATOM 547 CA ASN A 33 16.110 -1.451 2.041 1.00 0.00 C ATOM 548 C ASN A 33 15.821 -1.415 0.524 1.00 0.00 C ATOM 549 O ASN A 33 15.551 -0.342 -0.006 1.00 0.00 O ATOM 550 CB ASN A 33 17.205 -0.440 2.433 1.00 0.00 C ATOM 551 CG ASN A 33 16.673 0.919 2.849 1.00 0.00 C ATOM 552 OD1 ASN A 33 17.044 1.949 2.299 1.00 0.00 O ATOM 553 ND2 ASN A 33 15.859 0.957 3.899 1.00 0.00 N ATOM 0 H ASN A 33 15.802 -2.964 3.435 1.00 0.00 H new ATOM 0 HA ASN A 33 15.158 -1.159 2.484 1.00 0.00 H new ATOM 0 HB2 ASN A 33 17.791 -0.855 3.253 1.00 0.00 H new ATOM 0 HB3 ASN A 33 17.883 -0.310 1.590 1.00 0.00 H new ATOM 0 HD21 ASN A 33 15.533 1.854 4.259 1.00 0.00 H new ATOM 0 HD22 ASN A 33 15.560 0.089 4.344 1.00 0.00 H new ATOM 560 N GLU A 34 15.794 -2.560 -0.163 1.00 0.00 N ATOM 561 CA GLU A 34 15.559 -2.788 -1.579 1.00 0.00 C ATOM 562 C GLU A 34 14.311 -3.655 -1.740 1.00 0.00 C ATOM 563 O GLU A 34 14.005 -4.478 -0.867 1.00 0.00 O ATOM 564 CB GLU A 34 16.804 -3.518 -2.111 1.00 0.00 C ATOM 565 CG GLU A 34 16.635 -4.202 -3.470 1.00 0.00 C ATOM 566 CD GLU A 34 17.909 -4.895 -3.953 1.00 0.00 C ATOM 567 OE1 GLU A 34 18.099 -6.101 -3.649 1.00 0.00 O ATOM 568 OE2 GLU A 34 18.695 -4.274 -4.699 1.00 0.00 O ATOM 0 H GLU A 34 15.955 -3.444 0.320 1.00 0.00 H new ATOM 0 HA GLU A 34 15.397 -1.860 -2.127 1.00 0.00 H new ATOM 0 HB2 GLU A 34 17.621 -2.800 -2.184 1.00 0.00 H new ATOM 0 HB3 GLU A 34 17.104 -4.269 -1.380 1.00 0.00 H new ATOM 0 HG2 GLU A 34 15.832 -4.936 -3.404 1.00 0.00 H new ATOM 0 HG3 GLU A 34 16.329 -3.461 -4.208 1.00 0.00 H new ATOM 575 N VAL A 35 13.646 -3.530 -2.891 1.00 0.00 N ATOM 576 CA VAL A 35 12.565 -4.421 -3.295 1.00 0.00 C ATOM 577 C VAL A 35 13.144 -5.808 -3.561 1.00 0.00 C ATOM 578 O VAL A 35 13.755 -6.070 -4.596 1.00 0.00 O ATOM 579 CB VAL A 35 11.743 -3.849 -4.470 1.00 0.00 C ATOM 580 CG1 VAL A 35 12.522 -3.623 -5.776 1.00 0.00 C ATOM 581 CG2 VAL A 35 10.534 -4.751 -4.757 1.00 0.00 C ATOM 0 H VAL A 35 13.848 -2.799 -3.573 1.00 0.00 H new ATOM 0 HA VAL A 35 11.841 -4.511 -2.485 1.00 0.00 H new ATOM 0 HB VAL A 35 11.436 -2.859 -4.134 1.00 0.00 H new ATOM 0 HG11 VAL A 35 11.851 -3.220 -6.535 1.00 0.00 H new ATOM 0 HG12 VAL A 35 13.334 -2.918 -5.598 1.00 0.00 H new ATOM 0 HG13 VAL A 35 12.934 -4.571 -6.123 1.00 0.00 H new ATOM 0 HG21 VAL A 35 9.961 -4.338 -5.587 1.00 0.00 H new ATOM 0 HG22 VAL A 35 10.880 -5.752 -5.017 1.00 0.00 H new ATOM 0 HG23 VAL A 35 9.901 -4.804 -3.871 1.00 0.00 H new ATOM 591 N LYS A 36 12.953 -6.732 -2.624 1.00 0.00 N ATOM 592 CA LYS A 36 13.347 -8.113 -2.855 1.00 0.00 C ATOM 593 C LYS A 36 12.404 -8.759 -3.860 1.00 0.00 C ATOM 594 O LYS A 36 12.864 -9.477 -4.742 1.00 0.00 O ATOM 595 CB LYS A 36 13.322 -8.898 -1.547 1.00 0.00 C ATOM 596 CG LYS A 36 14.289 -8.397 -0.468 1.00 0.00 C ATOM 597 CD LYS A 36 15.768 -8.335 -0.887 1.00 0.00 C ATOM 598 CE LYS A 36 16.429 -6.988 -0.576 1.00 0.00 C ATOM 599 NZ LYS A 36 17.811 -6.943 -1.096 1.00 0.00 N ATOM 0 H LYS A 36 12.534 -6.552 -1.712 1.00 0.00 H new ATOM 0 HA LYS A 36 14.362 -8.125 -3.253 1.00 0.00 H new ATOM 0 HB2 LYS A 36 12.309 -8.872 -1.145 1.00 0.00 H new ATOM 0 HB3 LYS A 36 13.552 -9.941 -1.763 1.00 0.00 H new ATOM 0 HG2 LYS A 36 13.975 -7.401 -0.156 1.00 0.00 H new ATOM 0 HG3 LYS A 36 14.202 -9.046 0.404 1.00 0.00 H new ATOM 0 HD2 LYS A 36 16.316 -9.127 -0.378 1.00 0.00 H new ATOM 0 HD3 LYS A 36 15.844 -8.531 -1.956 1.00 0.00 H new ATOM 0 HE2 LYS A 36 15.844 -6.181 -1.018 1.00 0.00 H new ATOM 0 HE3 LYS A 36 16.437 -6.823 0.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 18.276 -6.071 -0.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 18.340 -7.768 -0.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 17.791 -6.958 -2.136 1.00 0.00 H new ATOM 613 N SER A 37 11.092 -8.581 -3.707 1.00 0.00 N ATOM 614 CA SER A 37 10.084 -9.291 -4.485 1.00 0.00 C ATOM 615 C SER A 37 8.762 -8.523 -4.472 1.00 0.00 C ATOM 616 O SER A 37 8.573 -7.616 -3.652 1.00 0.00 O ATOM 617 CB SER A 37 9.901 -10.684 -3.867 1.00 0.00 C ATOM 618 OG SER A 37 11.049 -11.492 -4.065 1.00 0.00 O ATOM 0 H SER A 37 10.697 -7.930 -3.029 1.00 0.00 H new ATOM 0 HA SER A 37 10.405 -9.381 -5.523 1.00 0.00 H new ATOM 0 HB2 SER A 37 9.702 -10.587 -2.800 1.00 0.00 H new ATOM 0 HB3 SER A 37 9.032 -11.169 -4.311 1.00 0.00 H new ATOM 0 HG SER A 37 11.766 -10.951 -4.456 1.00 0.00 H new ATOM 624 N THR A 38 7.848 -8.930 -5.350 1.00 0.00 N ATOM 625 CA THR A 38 6.581 -8.279 -5.629 1.00 0.00 C ATOM 626 C THR A 38 5.489 -9.351 -5.772 1.00 0.00 C ATOM 627 O THR A 38 5.638 -10.310 -6.537 1.00 0.00 O ATOM 628 CB THR A 38 6.745 -7.384 -6.881 1.00 0.00 C ATOM 629 OG1 THR A 38 7.413 -8.020 -7.963 1.00 0.00 O ATOM 630 CG2 THR A 38 7.570 -6.138 -6.551 1.00 0.00 C ATOM 0 H THR A 38 7.984 -9.769 -5.914 1.00 0.00 H new ATOM 0 HA THR A 38 6.272 -7.626 -4.813 1.00 0.00 H new ATOM 0 HB THR A 38 5.724 -7.145 -7.179 1.00 0.00 H new ATOM 0 HG1 THR A 38 7.479 -7.398 -8.718 1.00 0.00 H new ATOM 0 HG21 THR A 38 7.673 -5.523 -7.445 1.00 0.00 H new ATOM 0 HG22 THR A 38 7.068 -5.565 -5.772 1.00 0.00 H new ATOM 0 HG23 THR A 38 8.558 -6.438 -6.201 1.00 0.00 H new ATOM 638 N LYS A 39 4.399 -9.235 -5.008 1.00 0.00 N ATOM 639 CA LYS A 39 3.214 -10.104 -5.067 1.00 0.00 C ATOM 640 C LYS A 39 2.014 -9.298 -5.529 1.00 0.00 C ATOM 641 O LYS A 39 2.042 -8.080 -5.428 1.00 0.00 O ATOM 642 CB LYS A 39 2.880 -10.643 -3.663 1.00 0.00 C ATOM 643 CG LYS A 39 3.388 -12.020 -3.255 1.00 0.00 C ATOM 644 CD LYS A 39 4.900 -12.043 -3.010 1.00 0.00 C ATOM 645 CE LYS A 39 5.617 -12.698 -4.193 1.00 0.00 C ATOM 646 NZ LYS A 39 5.428 -14.164 -4.203 1.00 0.00 N ATOM 0 H LYS A 39 4.312 -8.504 -4.302 1.00 0.00 H new ATOM 0 HA LYS A 39 3.428 -10.923 -5.753 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.260 -9.925 -2.937 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.794 -10.651 -3.565 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.872 -12.339 -2.349 1.00 0.00 H new ATOM 0 HG3 LYS A 39 3.139 -12.740 -4.034 1.00 0.00 H new ATOM 0 HD2 LYS A 39 5.268 -11.027 -2.869 1.00 0.00 H new ATOM 0 HD3 LYS A 39 5.119 -12.591 -2.094 1.00 0.00 H new ATOM 0 HE2 LYS A 39 5.241 -12.276 -5.125 1.00 0.00 H new ATOM 0 HE3 LYS A 39 6.682 -12.469 -4.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 6.095 -14.595 -4.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 5.602 -14.543 -3.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.454 -14.386 -4.492 1.00 0.00 H new ATOM 660 N VAL A 40 0.936 -9.957 -5.946 1.00 0.00 N ATOM 661 CA VAL A 40 -0.288 -9.326 -6.432 1.00 0.00 C ATOM 662 C VAL A 40 -1.465 -9.963 -5.691 1.00 0.00 C ATOM 663 O VAL A 40 -1.548 -11.187 -5.597 1.00 0.00 O ATOM 664 CB VAL A 40 -0.377 -9.515 -7.962 1.00 0.00 C ATOM 665 CG1 VAL A 40 -1.759 -9.183 -8.541 1.00 0.00 C ATOM 666 CG2 VAL A 40 0.671 -8.646 -8.676 1.00 0.00 C ATOM 0 H VAL A 40 0.889 -10.976 -5.955 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.300 -8.253 -6.240 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.188 -10.574 -8.137 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.748 -9.338 -9.620 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.509 -9.832 -8.088 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.003 -8.143 -8.327 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.593 -8.793 -9.753 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.496 -7.597 -8.439 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.669 -8.932 -8.343 1.00 0.00 H new ATOM 676 N ILE A 41 -2.390 -9.128 -5.211 1.00 0.00 N ATOM 677 CA ILE A 41 -3.679 -9.512 -4.653 1.00 0.00 C ATOM 678 C ILE A 41 -4.743 -8.763 -5.458 1.00 0.00 C ATOM 679 O ILE A 41 -4.910 -7.558 -5.258 1.00 0.00 O ATOM 680 CB ILE A 41 -3.742 -9.142 -3.151 1.00 0.00 C ATOM 681 CG1 ILE A 41 -2.633 -9.805 -2.311 1.00 0.00 C ATOM 682 CG2 ILE A 41 -5.112 -9.518 -2.569 1.00 0.00 C ATOM 683 CD1 ILE A 41 -2.714 -9.423 -0.827 1.00 0.00 C ATOM 0 H ILE A 41 -2.249 -8.118 -5.203 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.841 -10.588 -4.719 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.586 -8.065 -3.097 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -2.706 -10.888 -2.409 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.659 -9.514 -2.705 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.144 -9.253 -1.512 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.894 -8.978 -3.102 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -5.272 -10.591 -2.679 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.911 -9.916 -0.280 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.613 -8.343 -0.723 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.676 -9.738 -0.422 1.00 0.00 H new ATOM 695 N PHE A 42 -5.451 -9.442 -6.364 1.00 0.00 N ATOM 696 CA PHE A 42 -6.529 -8.832 -7.144 1.00 0.00 C ATOM 697 C PHE A 42 -7.600 -8.265 -6.213 1.00 0.00 C ATOM 698 O PHE A 42 -7.971 -8.912 -5.228 1.00 0.00 O ATOM 699 CB PHE A 42 -7.139 -9.864 -8.102 1.00 0.00 C ATOM 700 CG PHE A 42 -6.183 -10.421 -9.141 1.00 0.00 C ATOM 701 CD1 PHE A 42 -5.319 -9.552 -9.829 1.00 0.00 C ATOM 702 CD2 PHE A 42 -6.170 -11.797 -9.442 1.00 0.00 C ATOM 703 CE1 PHE A 42 -4.409 -10.051 -10.774 1.00 0.00 C ATOM 704 CE2 PHE A 42 -5.292 -12.293 -10.424 1.00 0.00 C ATOM 705 CZ PHE A 42 -4.396 -11.424 -11.076 1.00 0.00 C ATOM 0 H PHE A 42 -5.293 -10.427 -6.577 1.00 0.00 H new ATOM 0 HA PHE A 42 -6.117 -8.014 -7.734 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -7.536 -10.692 -7.515 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -7.983 -9.405 -8.616 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -5.356 -8.491 -9.629 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -6.833 -12.471 -8.920 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -3.720 -9.382 -11.268 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -5.306 -13.343 -10.678 1.00 0.00 H new ATOM 0 HZ PHE A 42 -3.701 -11.811 -11.806 1.00 0.00 H new ATOM 715 N ASN A 43 -8.081 -7.059 -6.516 1.00 0.00 N ATOM 716 CA ASN A 43 -9.003 -6.302 -5.667 1.00 0.00 C ATOM 717 C ASN A 43 -10.436 -6.793 -5.852 1.00 0.00 C ATOM 718 O ASN A 43 -11.280 -6.103 -6.421 1.00 0.00 O ATOM 719 CB ASN A 43 -8.896 -4.787 -5.902 1.00 0.00 C ATOM 720 CG ASN A 43 -9.831 -4.026 -4.956 1.00 0.00 C ATOM 721 OD1 ASN A 43 -9.933 -4.354 -3.775 1.00 0.00 O ATOM 722 ND2 ASN A 43 -10.543 -3.020 -5.425 1.00 0.00 N ATOM 0 H ASN A 43 -7.836 -6.570 -7.377 1.00 0.00 H new ATOM 0 HA ASN A 43 -8.712 -6.480 -4.632 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -7.868 -4.461 -5.745 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -9.150 -4.555 -6.936 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -11.178 -2.514 -4.808 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -10.458 -2.748 -6.404 1.00 0.00 H new ATOM 729 N ASP A 44 -10.716 -7.994 -5.357 1.00 0.00 N ATOM 730 CA ASP A 44 -12.057 -8.547 -5.300 1.00 0.00 C ATOM 731 C ASP A 44 -12.137 -9.408 -4.045 1.00 0.00 C ATOM 732 O ASP A 44 -11.923 -10.622 -4.095 1.00 0.00 O ATOM 733 CB ASP A 44 -12.408 -9.317 -6.588 1.00 0.00 C ATOM 734 CG ASP A 44 -12.865 -8.405 -7.731 1.00 0.00 C ATOM 735 OD1 ASP A 44 -13.847 -7.649 -7.557 1.00 0.00 O ATOM 736 OD2 ASP A 44 -12.279 -8.497 -8.836 1.00 0.00 O ATOM 0 H ASP A 44 -10.003 -8.618 -4.979 1.00 0.00 H new ATOM 0 HA ASP A 44 -12.803 -7.755 -5.240 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -11.537 -9.886 -6.912 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -13.196 -10.038 -6.369 1.00 0.00 H new ATOM 741 N GLU A 45 -12.428 -8.762 -2.913 1.00 0.00 N ATOM 742 CA GLU A 45 -13.116 -9.301 -1.743 1.00 0.00 C ATOM 743 C GLU A 45 -12.268 -10.307 -0.946 1.00 0.00 C ATOM 744 O GLU A 45 -11.744 -9.983 0.120 1.00 0.00 O ATOM 745 CB GLU A 45 -14.468 -9.870 -2.218 1.00 0.00 C ATOM 746 CG GLU A 45 -15.446 -10.113 -1.073 1.00 0.00 C ATOM 747 CD GLU A 45 -16.262 -8.872 -0.738 1.00 0.00 C ATOM 748 OE1 GLU A 45 -15.720 -7.941 -0.097 1.00 0.00 O ATOM 749 OE2 GLU A 45 -17.472 -8.872 -1.045 1.00 0.00 O ATOM 0 H GLU A 45 -12.171 -7.783 -2.784 1.00 0.00 H new ATOM 0 HA GLU A 45 -13.294 -8.503 -1.022 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -14.917 -9.179 -2.932 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -14.296 -10.807 -2.747 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -16.120 -10.927 -1.340 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -14.895 -10.432 -0.189 1.00 0.00 H new ATOM 756 N SER A 46 -12.090 -11.527 -1.464 1.00 0.00 N ATOM 757 CA SER A 46 -11.092 -12.485 -0.992 1.00 0.00 C ATOM 758 C SER A 46 -9.708 -11.821 -0.957 1.00 0.00 C ATOM 759 O SER A 46 -8.916 -12.091 -0.049 1.00 0.00 O ATOM 760 CB SER A 46 -11.138 -13.703 -1.928 1.00 0.00 C ATOM 761 OG SER A 46 -10.089 -14.629 -1.734 1.00 0.00 O ATOM 0 H SER A 46 -12.649 -11.881 -2.240 1.00 0.00 H new ATOM 0 HA SER A 46 -11.303 -12.815 0.025 1.00 0.00 H new ATOM 0 HB2 SER A 46 -12.090 -14.216 -1.790 1.00 0.00 H new ATOM 0 HB3 SER A 46 -11.112 -13.354 -2.960 1.00 0.00 H new ATOM 0 HG SER A 46 -10.189 -15.373 -2.364 1.00 0.00 H new ATOM 767 N GLY A 47 -9.453 -10.898 -1.887 1.00 0.00 N ATOM 768 CA GLY A 47 -8.251 -10.098 -1.902 1.00 0.00 C ATOM 769 C GLY A 47 -8.105 -9.270 -0.628 1.00 0.00 C ATOM 770 O GLY A 47 -7.158 -9.463 0.131 1.00 0.00 O ATOM 0 H GLY A 47 -10.091 -10.691 -2.656 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.383 -10.748 -2.014 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.267 -9.435 -2.767 1.00 0.00 H new ATOM 774 N LYS A 48 -9.065 -8.388 -0.332 1.00 0.00 N ATOM 775 CA LYS A 48 -9.028 -7.540 0.862 1.00 0.00 C ATOM 776 C LYS A 48 -8.960 -8.396 2.120 1.00 0.00 C ATOM 777 O LYS A 48 -8.225 -8.046 3.041 1.00 0.00 O ATOM 778 CB LYS A 48 -10.280 -6.658 0.930 1.00 0.00 C ATOM 779 CG LYS A 48 -10.186 -5.337 0.145 1.00 0.00 C ATOM 780 CD LYS A 48 -11.572 -4.674 0.124 1.00 0.00 C ATOM 781 CE LYS A 48 -12.008 -4.189 1.515 1.00 0.00 C ATOM 782 NZ LYS A 48 -13.462 -4.327 1.703 1.00 0.00 N ATOM 0 H LYS A 48 -9.890 -8.242 -0.914 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.140 -6.910 0.800 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -11.129 -7.228 0.553 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.489 -6.429 1.975 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.457 -4.673 0.609 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.843 -5.526 -0.872 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.558 -3.829 -0.565 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -12.306 -5.384 -0.257 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -11.485 -4.761 2.281 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -11.721 -3.146 1.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -13.723 -3.991 2.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -13.960 -3.761 0.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -13.732 -5.327 1.604 1.00 0.00 H new ATOM 796 N LYS A 49 -9.681 -9.521 2.170 1.00 0.00 N ATOM 797 CA LYS A 49 -9.558 -10.456 3.281 1.00 0.00 C ATOM 798 C LYS A 49 -8.105 -10.879 3.460 1.00 0.00 C ATOM 799 O LYS A 49 -7.610 -10.865 4.582 1.00 0.00 O ATOM 800 CB LYS A 49 -10.472 -11.677 3.085 1.00 0.00 C ATOM 801 CG LYS A 49 -11.811 -11.460 3.798 1.00 0.00 C ATOM 802 CD LYS A 49 -12.741 -12.671 3.693 1.00 0.00 C ATOM 803 CE LYS A 49 -13.272 -12.881 2.276 1.00 0.00 C ATOM 804 NZ LYS A 49 -14.260 -13.976 2.227 1.00 0.00 N ATOM 0 H LYS A 49 -10.352 -9.801 1.455 1.00 0.00 H new ATOM 0 HA LYS A 49 -9.881 -9.950 4.190 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -10.642 -11.846 2.022 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -9.985 -12.571 3.476 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -11.626 -11.239 4.849 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -12.307 -10.588 3.372 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -12.205 -13.565 4.013 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -13.580 -12.541 4.376 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -13.730 -11.959 1.917 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -12.443 -13.107 1.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -14.601 -14.093 1.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -13.815 -14.860 2.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -15.062 -13.748 2.849 1.00 0.00 H new ATOM 818 N SER A 50 -7.413 -11.232 2.384 1.00 0.00 N ATOM 819 CA SER A 50 -6.019 -11.636 2.451 1.00 0.00 C ATOM 820 C SER A 50 -5.131 -10.513 2.998 1.00 0.00 C ATOM 821 O SER A 50 -4.245 -10.812 3.791 1.00 0.00 O ATOM 822 CB SER A 50 -5.571 -12.164 1.084 1.00 0.00 C ATOM 823 OG SER A 50 -6.451 -13.211 0.695 1.00 0.00 O ATOM 0 H SER A 50 -7.804 -11.245 1.442 1.00 0.00 H new ATOM 0 HA SER A 50 -5.911 -12.453 3.164 1.00 0.00 H new ATOM 0 HB2 SER A 50 -5.585 -11.363 0.345 1.00 0.00 H new ATOM 0 HB3 SER A 50 -4.546 -12.531 1.137 1.00 0.00 H new ATOM 0 HG SER A 50 -7.300 -12.828 0.389 1.00 0.00 H new ATOM 829 N ILE A 51 -5.399 -9.238 2.681 1.00 0.00 N ATOM 830 CA ILE A 51 -4.687 -8.093 3.271 1.00 0.00 C ATOM 831 C ILE A 51 -4.891 -8.093 4.792 1.00 0.00 C ATOM 832 O ILE A 51 -3.919 -7.979 5.543 1.00 0.00 O ATOM 833 CB ILE A 51 -5.147 -6.753 2.640 1.00 0.00 C ATOM 834 CG1 ILE A 51 -4.988 -6.786 1.107 1.00 0.00 C ATOM 835 CG2 ILE A 51 -4.377 -5.543 3.199 1.00 0.00 C ATOM 836 CD1 ILE A 51 -5.456 -5.506 0.416 1.00 0.00 C ATOM 0 H ILE A 51 -6.117 -8.970 2.007 1.00 0.00 H new ATOM 0 HA ILE A 51 -3.623 -8.193 3.057 1.00 0.00 H new ATOM 0 HB ILE A 51 -6.199 -6.637 2.902 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.940 -6.959 0.862 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -5.551 -7.630 0.710 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -4.738 -4.631 2.724 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -4.534 -5.478 4.276 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -3.313 -5.662 2.994 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.314 -5.601 -0.661 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -6.512 -5.342 0.630 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -4.876 -4.660 0.785 1.00 0.00 H new ATOM 848 N VAL A 52 -6.134 -8.241 5.264 1.00 0.00 N ATOM 849 CA VAL A 52 -6.443 -8.309 6.692 1.00 0.00 C ATOM 850 C VAL A 52 -5.703 -9.485 7.344 1.00 0.00 C ATOM 851 O VAL A 52 -5.203 -9.347 8.460 1.00 0.00 O ATOM 852 CB VAL A 52 -7.972 -8.383 6.916 1.00 0.00 C ATOM 853 CG1 VAL A 52 -8.333 -8.497 8.400 1.00 0.00 C ATOM 854 CG2 VAL A 52 -8.684 -7.132 6.383 1.00 0.00 C ATOM 0 H VAL A 52 -6.954 -8.317 4.663 1.00 0.00 H new ATOM 0 HA VAL A 52 -6.093 -7.397 7.175 1.00 0.00 H new ATOM 0 HB VAL A 52 -8.298 -9.273 6.378 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -9.417 -8.546 8.508 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -7.886 -9.400 8.815 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -7.954 -7.626 8.935 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -9.756 -7.221 6.558 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -8.304 -6.250 6.898 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -8.498 -7.036 5.313 1.00 0.00 H new ATOM 864 N LYS A 53 -5.607 -10.641 6.683 1.00 0.00 N ATOM 865 CA LYS A 53 -4.870 -11.770 7.242 1.00 0.00 C ATOM 866 C LYS A 53 -3.351 -11.560 7.194 1.00 0.00 C ATOM 867 O LYS A 53 -2.639 -12.269 7.903 1.00 0.00 O ATOM 868 CB LYS A 53 -5.257 -13.088 6.544 1.00 0.00 C ATOM 869 CG LYS A 53 -6.530 -13.737 7.117 1.00 0.00 C ATOM 870 CD LYS A 53 -7.843 -13.227 6.509 1.00 0.00 C ATOM 871 CE LYS A 53 -9.095 -13.913 7.076 1.00 0.00 C ATOM 872 NZ LYS A 53 -9.045 -15.393 6.993 1.00 0.00 N ATOM 0 H LYS A 53 -6.026 -10.816 5.770 1.00 0.00 H new ATOM 0 HA LYS A 53 -5.153 -11.837 8.292 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -5.403 -12.897 5.481 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -4.429 -13.792 6.631 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -6.471 -14.815 6.966 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -6.554 -13.567 8.193 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -7.919 -12.153 6.680 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -7.815 -13.376 5.430 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -9.221 -13.619 8.118 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -9.972 -13.556 6.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -9.968 -15.787 7.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -8.819 -15.679 6.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -8.312 -15.752 7.638 1.00 0.00 H new ATOM 886 N GLU A 54 -2.824 -10.638 6.384 1.00 0.00 N ATOM 887 CA GLU A 54 -1.387 -10.514 6.195 1.00 0.00 C ATOM 888 C GLU A 54 -0.765 -9.683 7.326 1.00 0.00 C ATOM 889 O GLU A 54 -1.427 -9.279 8.289 1.00 0.00 O ATOM 890 CB GLU A 54 -1.061 -9.934 4.800 1.00 0.00 C ATOM 891 CG GLU A 54 0.061 -10.768 4.152 1.00 0.00 C ATOM 892 CD GLU A 54 0.770 -10.105 2.969 1.00 0.00 C ATOM 893 OE1 GLU A 54 0.756 -8.870 2.866 1.00 0.00 O ATOM 894 OE2 GLU A 54 1.483 -10.841 2.242 1.00 0.00 O ATOM 0 H GLU A 54 -3.377 -9.968 5.850 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.942 -11.508 6.238 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -1.951 -9.948 4.170 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -0.751 -8.893 4.890 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.804 -11.002 4.915 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.361 -11.716 3.817 1.00 0.00 H new ATOM 901 N ASN A 55 0.532 -9.403 7.204 1.00 0.00 N ATOM 902 CA ASN A 55 1.331 -8.612 8.136 1.00 0.00 C ATOM 903 C ASN A 55 1.760 -7.308 7.453 1.00 0.00 C ATOM 904 O ASN A 55 2.925 -6.923 7.535 1.00 0.00 O ATOM 905 CB ASN A 55 2.522 -9.467 8.612 1.00 0.00 C ATOM 906 CG ASN A 55 3.411 -8.783 9.654 1.00 0.00 C ATOM 907 OD1 ASN A 55 4.635 -8.818 9.548 1.00 0.00 O ATOM 908 ND2 ASN A 55 2.839 -8.252 10.725 1.00 0.00 N ATOM 0 H ASN A 55 1.080 -9.739 6.412 1.00 0.00 H new ATOM 0 HA ASN A 55 0.756 -8.332 9.018 1.00 0.00 H new ATOM 0 HB2 ASN A 55 2.141 -10.398 9.031 1.00 0.00 H new ATOM 0 HB3 ASN A 55 3.132 -9.732 7.749 1.00 0.00 H new ATOM 0 HD21 ASN A 55 3.416 -7.867 11.473 1.00 0.00 H new ATOM 0 HD22 ASN A 55 1.822 -8.229 10.801 1.00 0.00 H new ATOM 915 N VAL A 56 0.862 -6.674 6.685 1.00 0.00 N ATOM 916 CA VAL A 56 1.215 -5.409 6.033 1.00 0.00 C ATOM 917 C VAL A 56 1.513 -4.381 7.128 1.00 0.00 C ATOM 918 O VAL A 56 0.835 -4.365 8.162 1.00 0.00 O ATOM 919 CB VAL A 56 0.137 -4.876 5.067 1.00 0.00 C ATOM 920 CG1 VAL A 56 0.768 -3.991 3.990 1.00 0.00 C ATOM 921 CG2 VAL A 56 -0.675 -5.949 4.337 1.00 0.00 C ATOM 0 H VAL A 56 -0.086 -7.005 6.505 1.00 0.00 H new ATOM 0 HA VAL A 56 2.089 -5.590 5.407 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.544 -4.327 5.717 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.009 -3.625 3.319 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.268 -3.145 4.461 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.495 -4.572 3.422 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -1.405 -5.471 3.683 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.006 -6.569 3.741 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.194 -6.572 5.066 1.00 0.00 H new ATOM 931 N ASN A 57 2.524 -3.547 6.881 1.00 0.00 N ATOM 932 CA ASN A 57 2.892 -2.429 7.735 1.00 0.00 C ATOM 933 C ASN A 57 2.124 -1.178 7.315 1.00 0.00 C ATOM 934 O ASN A 57 1.622 -0.447 8.166 1.00 0.00 O ATOM 935 CB ASN A 57 4.403 -2.182 7.630 1.00 0.00 C ATOM 936 CG ASN A 57 4.960 -1.757 8.979 1.00 0.00 C ATOM 937 OD1 ASN A 57 4.739 -0.641 9.444 1.00 0.00 O ATOM 938 ND2 ASN A 57 5.649 -2.669 9.639 1.00 0.00 N ATOM 0 H ASN A 57 3.122 -3.637 6.059 1.00 0.00 H new ATOM 0 HA ASN A 57 2.638 -2.664 8.769 1.00 0.00 H new ATOM 0 HB2 ASN A 57 4.904 -3.088 7.290 1.00 0.00 H new ATOM 0 HB3 ASN A 57 4.602 -1.410 6.887 1.00 0.00 H new ATOM 0 HD21 ASN A 57 6.017 -2.458 10.566 1.00 0.00 H new ATOM 0 HD22 ASN A 57 5.813 -3.585 9.222 1.00 0.00 H new ATOM 945 N ALA A 58 1.996 -0.958 5.999 1.00 0.00 N ATOM 946 CA ALA A 58 1.434 0.254 5.421 1.00 0.00 C ATOM 947 C ALA A 58 0.693 -0.045 4.118 1.00 0.00 C ATOM 948 O ALA A 58 1.078 -0.943 3.372 1.00 0.00 O ATOM 949 CB ALA A 58 2.563 1.248 5.134 1.00 0.00 C ATOM 0 H ALA A 58 2.289 -1.638 5.298 1.00 0.00 H new ATOM 0 HA ALA A 58 0.725 0.675 6.134 1.00 0.00 H new ATOM 0 HB1 ALA A 58 2.146 2.157 4.701 1.00 0.00 H new ATOM 0 HB2 ALA A 58 3.078 1.492 6.063 1.00 0.00 H new ATOM 0 HB3 ALA A 58 3.270 0.803 4.433 1.00 0.00 H new ATOM 955 N ILE A 59 -0.317 0.751 3.792 1.00 0.00 N ATOM 956 CA ILE A 59 -0.950 0.806 2.485 1.00 0.00 C ATOM 957 C ILE A 59 -0.516 2.140 1.866 1.00 0.00 C ATOM 958 O ILE A 59 -0.484 3.156 2.566 1.00 0.00 O ATOM 959 CB ILE A 59 -2.479 0.681 2.679 1.00 0.00 C ATOM 960 CG1 ILE A 59 -2.806 -0.737 3.204 1.00 0.00 C ATOM 961 CG2 ILE A 59 -3.234 0.945 1.364 1.00 0.00 C ATOM 962 CD1 ILE A 59 -4.204 -0.917 3.800 1.00 0.00 C ATOM 0 H ILE A 59 -0.733 1.401 4.459 1.00 0.00 H new ATOM 0 HA ILE A 59 -0.659 -0.004 1.816 1.00 0.00 H new ATOM 0 HB ILE A 59 -2.803 1.430 3.401 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -2.687 -1.445 2.384 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -2.070 -1.002 3.963 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -4.306 0.849 1.535 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -3.011 1.952 1.012 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -2.920 0.221 0.612 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -4.326 -1.947 4.136 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -4.328 -0.242 4.646 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -4.954 -0.691 3.042 1.00 0.00 H new ATOM 974 N ILE A 60 -0.208 2.149 0.566 1.00 0.00 N ATOM 975 CA ILE A 60 0.047 3.367 -0.201 1.00 0.00 C ATOM 976 C ILE A 60 -1.051 3.427 -1.255 1.00 0.00 C ATOM 977 O ILE A 60 -1.285 2.447 -1.972 1.00 0.00 O ATOM 978 CB ILE A 60 1.466 3.395 -0.820 1.00 0.00 C ATOM 979 CG1 ILE A 60 2.535 3.124 0.258 1.00 0.00 C ATOM 980 CG2 ILE A 60 1.713 4.763 -1.487 1.00 0.00 C ATOM 981 CD1 ILE A 60 3.978 3.100 -0.264 1.00 0.00 C ATOM 0 H ILE A 60 -0.128 1.297 0.011 1.00 0.00 H new ATOM 0 HA ILE A 60 0.023 4.247 0.442 1.00 0.00 H new ATOM 0 HB ILE A 60 1.537 2.611 -1.574 1.00 0.00 H new ATOM 0 HG12 ILE A 60 2.455 3.889 1.031 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.319 2.167 0.733 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.712 4.781 -1.922 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.973 4.924 -2.271 1.00 0.00 H new ATOM 0 HG23 ILE A 60 1.628 5.552 -0.740 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.661 2.903 0.563 1.00 0.00 H new ATOM 0 HD12 ILE A 60 4.081 2.316 -1.014 1.00 0.00 H new ATOM 0 HD13 ILE A 60 4.219 4.064 -0.712 1.00 0.00 H new ATOM 993 N CYS A 61 -1.737 4.564 -1.313 1.00 0.00 N ATOM 994 CA CYS A 61 -2.857 4.829 -2.197 1.00 0.00 C ATOM 995 C CYS A 61 -2.933 6.337 -2.427 1.00 0.00 C ATOM 996 O CYS A 61 -2.176 7.097 -1.827 1.00 0.00 O ATOM 997 CB CYS A 61 -4.159 4.273 -1.592 1.00 0.00 C ATOM 998 SG CYS A 61 -4.401 4.752 0.146 1.00 0.00 S ATOM 0 H CYS A 61 -1.513 5.360 -0.716 1.00 0.00 H new ATOM 0 HA CYS A 61 -2.718 4.330 -3.156 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -5.006 4.626 -2.181 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -4.151 3.185 -1.665 1.00 0.00 H new ATOM 0 HG CYS A 61 -5.517 4.249 0.583 1.00 0.00 H new ATOM 1004 N LYS A 62 -3.853 6.784 -3.272 1.00 0.00 N ATOM 1005 CA LYS A 62 -4.125 8.191 -3.530 1.00 0.00 C ATOM 1006 C LYS A 62 -5.423 8.635 -2.891 1.00 0.00 C ATOM 1007 O LYS A 62 -5.587 9.814 -2.614 1.00 0.00 O ATOM 1008 CB LYS A 62 -4.197 8.419 -5.039 1.00 0.00 C ATOM 1009 CG LYS A 62 -2.805 8.386 -5.663 1.00 0.00 C ATOM 1010 CD LYS A 62 -2.885 8.775 -7.146 1.00 0.00 C ATOM 1011 CE LYS A 62 -1.583 9.444 -7.601 1.00 0.00 C ATOM 1012 NZ LYS A 62 -1.320 10.718 -6.889 1.00 0.00 N ATOM 0 H LYS A 62 -4.449 6.157 -3.813 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.318 8.780 -3.094 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -4.823 7.653 -5.497 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -4.669 9.380 -5.243 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.144 9.072 -5.134 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -2.376 7.389 -5.563 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -3.074 7.888 -7.750 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -3.723 9.454 -7.305 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -0.750 8.761 -7.436 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -1.631 9.634 -8.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -0.758 11.346 -7.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -2.223 11.178 -6.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -0.795 10.524 -6.013 1.00 0.00 H new ATOM 1026 N ASN A 63 -6.364 7.731 -2.646 1.00 0.00 N ATOM 1027 CA ASN A 63 -7.647 8.085 -2.055 1.00 0.00 C ATOM 1028 C ASN A 63 -8.138 6.858 -1.330 1.00 0.00 C ATOM 1029 O ASN A 63 -7.701 5.740 -1.608 1.00 0.00 O ATOM 1030 CB ASN A 63 -8.668 8.524 -3.120 1.00 0.00 C ATOM 1031 CG ASN A 63 -8.528 10.005 -3.448 1.00 0.00 C ATOM 1032 OD1 ASN A 63 -8.941 10.868 -2.679 1.00 0.00 O ATOM 1033 ND2 ASN A 63 -7.928 10.343 -4.573 1.00 0.00 N ATOM 0 H ASN A 63 -6.259 6.737 -2.850 1.00 0.00 H new ATOM 0 HA ASN A 63 -7.529 8.932 -1.379 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -8.527 7.934 -4.026 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -9.678 8.323 -2.763 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -7.804 11.328 -4.809 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -7.588 9.620 -5.207 1.00 0.00 H new ATOM 1040 N ILE A 64 -9.043 7.060 -0.392 1.00 0.00 N ATOM 1041 CA ILE A 64 -9.566 6.018 0.475 1.00 0.00 C ATOM 1042 C ILE A 64 -10.878 6.553 1.046 1.00 0.00 C ATOM 1043 O ILE A 64 -10.967 7.736 1.389 1.00 0.00 O ATOM 1044 CB ILE A 64 -8.510 5.659 1.550 1.00 0.00 C ATOM 1045 CG1 ILE A 64 -8.859 4.319 2.229 1.00 0.00 C ATOM 1046 CG2 ILE A 64 -8.210 6.806 2.531 1.00 0.00 C ATOM 1047 CD1 ILE A 64 -7.848 3.969 3.314 1.00 0.00 C ATOM 0 H ILE A 64 -9.447 7.978 -0.206 1.00 0.00 H new ATOM 0 HA ILE A 64 -9.770 5.085 -0.051 1.00 0.00 H new ATOM 0 HB ILE A 64 -7.559 5.515 1.038 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -9.857 4.378 2.664 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -8.883 3.526 1.482 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -7.462 6.480 3.254 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -7.831 7.667 1.980 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -9.124 7.085 3.055 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -8.122 3.019 3.774 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -6.855 3.886 2.873 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -7.843 4.751 4.073 1.00 0.00 H new ATOM 1059 N SER A 65 -11.901 5.710 1.112 1.00 0.00 N ATOM 1060 CA SER A 65 -13.133 6.094 1.801 1.00 0.00 C ATOM 1061 C SER A 65 -12.979 5.793 3.298 1.00 0.00 C ATOM 1062 O SER A 65 -12.014 5.146 3.719 1.00 0.00 O ATOM 1063 CB SER A 65 -14.362 5.458 1.125 1.00 0.00 C ATOM 1064 OG SER A 65 -14.683 6.203 -0.038 1.00 0.00 O ATOM 0 H SER A 65 -11.907 4.774 0.707 1.00 0.00 H new ATOM 0 HA SER A 65 -13.311 7.166 1.720 1.00 0.00 H new ATOM 0 HB2 SER A 65 -14.153 4.421 0.863 1.00 0.00 H new ATOM 0 HB3 SER A 65 -15.208 5.449 1.812 1.00 0.00 H new ATOM 0 HG SER A 65 -15.464 5.805 -0.477 1.00 0.00 H new ATOM 1070 N GLU A 66 -13.906 6.296 4.108 1.00 0.00 N ATOM 1071 CA GLU A 66 -13.862 6.258 5.562 1.00 0.00 C ATOM 1072 C GLU A 66 -13.824 4.822 6.076 1.00 0.00 C ATOM 1073 O GLU A 66 -13.202 4.531 7.094 1.00 0.00 O ATOM 1074 CB GLU A 66 -15.127 6.938 6.097 1.00 0.00 C ATOM 1075 CG GLU A 66 -14.999 7.419 7.554 1.00 0.00 C ATOM 1076 CD GLU A 66 -14.670 8.906 7.719 1.00 0.00 C ATOM 1077 OE1 GLU A 66 -15.244 9.753 7.005 1.00 0.00 O ATOM 1078 OE2 GLU A 66 -13.939 9.265 8.672 1.00 0.00 O ATOM 0 H GLU A 66 -14.742 6.760 3.752 1.00 0.00 H new ATOM 0 HA GLU A 66 -12.961 6.769 5.902 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -15.368 7.790 5.462 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -15.962 6.241 6.025 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -15.934 7.210 8.073 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -14.223 6.834 8.047 1.00 0.00 H new ATOM 1085 N GLU A 67 -14.514 3.907 5.399 1.00 0.00 N ATOM 1086 CA GLU A 67 -14.728 2.570 5.896 1.00 0.00 C ATOM 1087 C GLU A 67 -13.448 1.761 5.760 1.00 0.00 C ATOM 1088 O GLU A 67 -13.022 1.046 6.665 1.00 0.00 O ATOM 1089 CB GLU A 67 -15.861 1.906 5.109 1.00 0.00 C ATOM 1090 CG GLU A 67 -16.454 0.842 6.035 1.00 0.00 C ATOM 1091 CD GLU A 67 -17.144 -0.307 5.313 1.00 0.00 C ATOM 1092 OE1 GLU A 67 -17.914 -0.041 4.362 1.00 0.00 O ATOM 1093 OE2 GLU A 67 -16.925 -1.471 5.722 1.00 0.00 O ATOM 0 H GLU A 67 -14.938 4.083 4.488 1.00 0.00 H new ATOM 0 HA GLU A 67 -15.006 2.613 6.949 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -16.616 2.637 4.821 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -15.486 1.457 4.189 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -15.658 0.437 6.659 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -17.172 1.318 6.703 1.00 0.00 H new ATOM 1100 N ASN A 68 -12.848 1.853 4.584 1.00 0.00 N ATOM 1101 CA ASN A 68 -11.549 1.323 4.245 1.00 0.00 C ATOM 1102 C ASN A 68 -10.489 1.913 5.163 1.00 0.00 C ATOM 1103 O ASN A 68 -9.739 1.159 5.787 1.00 0.00 O ATOM 1104 CB ASN A 68 -11.249 1.471 2.736 1.00 0.00 C ATOM 1105 CG ASN A 68 -11.902 2.524 1.874 1.00 0.00 C ATOM 1106 OD1 ASN A 68 -13.005 2.961 2.134 1.00 0.00 O ATOM 1107 ND2 ASN A 68 -11.348 2.787 0.703 1.00 0.00 N ATOM 0 H ASN A 68 -13.287 2.330 3.797 1.00 0.00 H new ATOM 0 HA ASN A 68 -11.537 0.247 4.420 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -10.173 1.619 2.646 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -11.478 0.509 2.278 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -11.847 3.356 0.019 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -10.422 2.421 0.483 1.00 0.00 H new ATOM 1114 N TYR A 69 -10.514 3.232 5.364 1.00 0.00 N ATOM 1115 CA TYR A 69 -9.637 3.898 6.311 1.00 0.00 C ATOM 1116 C TYR A 69 -9.761 3.280 7.706 1.00 0.00 C ATOM 1117 O TYR A 69 -8.797 2.705 8.218 1.00 0.00 O ATOM 1118 CB TYR A 69 -9.891 5.407 6.293 1.00 0.00 C ATOM 1119 CG TYR A 69 -8.869 6.160 7.102 1.00 0.00 C ATOM 1120 CD1 TYR A 69 -9.013 6.259 8.498 1.00 0.00 C ATOM 1121 CD2 TYR A 69 -7.729 6.677 6.463 1.00 0.00 C ATOM 1122 CE1 TYR A 69 -7.988 6.830 9.265 1.00 0.00 C ATOM 1123 CE2 TYR A 69 -6.714 7.271 7.222 1.00 0.00 C ATOM 1124 CZ TYR A 69 -6.834 7.337 8.627 1.00 0.00 C ATOM 1125 OH TYR A 69 -5.833 7.874 9.363 1.00 0.00 O ATOM 0 H TYR A 69 -11.146 3.863 4.871 1.00 0.00 H new ATOM 0 HA TYR A 69 -8.600 3.747 6.009 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -9.874 5.765 5.264 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -10.887 5.612 6.686 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -9.910 5.896 8.977 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -7.636 6.616 5.389 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -8.080 6.882 10.340 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -5.841 7.678 6.734 1.00 0.00 H new ATOM 0 HH TYR A 69 -5.128 8.203 8.766 1.00 0.00 H new ATOM 1135 N LYS A 70 -10.943 3.342 8.320 1.00 0.00 N ATOM 1136 CA LYS A 70 -11.179 2.905 9.698 1.00 0.00 C ATOM 1137 C LYS A 70 -10.956 1.409 9.883 1.00 0.00 C ATOM 1138 O LYS A 70 -10.595 0.976 10.978 1.00 0.00 O ATOM 1139 CB LYS A 70 -12.618 3.240 10.105 1.00 0.00 C ATOM 1140 CG LYS A 70 -12.779 4.724 10.454 1.00 0.00 C ATOM 1141 CD LYS A 70 -14.135 4.969 11.119 1.00 0.00 C ATOM 1142 CE LYS A 70 -15.307 4.810 10.149 1.00 0.00 C ATOM 1143 NZ LYS A 70 -16.597 5.011 10.837 1.00 0.00 N ATOM 0 H LYS A 70 -11.781 3.705 7.865 1.00 0.00 H new ATOM 0 HA LYS A 70 -10.462 3.433 10.327 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -13.296 2.982 9.291 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -12.904 2.632 10.963 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -11.977 5.036 11.122 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -12.695 5.328 9.551 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -14.259 4.273 11.949 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -14.152 5.974 11.541 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -15.210 5.529 9.335 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -15.281 3.816 9.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -17.375 4.898 10.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -16.698 4.309 11.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -16.629 5.968 11.243 1.00 0.00 H new ATOM 1157 N LYS A 71 -11.181 0.607 8.845 1.00 0.00 N ATOM 1158 CA LYS A 71 -10.882 -0.816 8.840 1.00 0.00 C ATOM 1159 C LYS A 71 -9.389 -1.019 9.025 1.00 0.00 C ATOM 1160 O LYS A 71 -8.970 -1.676 9.979 1.00 0.00 O ATOM 1161 CB LYS A 71 -11.410 -1.417 7.542 1.00 0.00 C ATOM 1162 CG LYS A 71 -11.084 -2.891 7.309 1.00 0.00 C ATOM 1163 CD LYS A 71 -11.723 -3.858 8.308 1.00 0.00 C ATOM 1164 CE LYS A 71 -10.793 -4.165 9.480 1.00 0.00 C ATOM 1165 NZ LYS A 71 -11.335 -5.217 10.358 1.00 0.00 N ATOM 0 H LYS A 71 -11.584 0.938 7.969 1.00 0.00 H new ATOM 0 HA LYS A 71 -11.373 -1.329 9.667 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -12.493 -1.297 7.523 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -11.010 -0.840 6.708 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -11.406 -3.165 6.304 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -10.002 -3.019 7.343 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -12.652 -3.429 8.685 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -11.984 -4.786 7.799 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -9.821 -4.477 9.098 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -10.631 -3.257 10.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -10.672 -5.393 11.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -12.251 -4.910 10.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -11.466 -6.092 9.811 1.00 0.00 H new ATOM 1179 N PHE A 72 -8.588 -0.533 8.081 1.00 0.00 N ATOM 1180 CA PHE A 72 -7.206 -0.973 8.004 1.00 0.00 C ATOM 1181 C PHE A 72 -6.320 -0.257 9.024 1.00 0.00 C ATOM 1182 O PHE A 72 -5.420 -0.899 9.577 1.00 0.00 O ATOM 1183 CB PHE A 72 -6.719 -0.887 6.558 1.00 0.00 C ATOM 1184 CG PHE A 72 -7.260 -2.039 5.716 1.00 0.00 C ATOM 1185 CD1 PHE A 72 -6.678 -3.316 5.813 1.00 0.00 C ATOM 1186 CD2 PHE A 72 -8.375 -1.868 4.874 1.00 0.00 C ATOM 1187 CE1 PHE A 72 -7.156 -4.387 5.036 1.00 0.00 C ATOM 1188 CE2 PHE A 72 -8.864 -2.936 4.099 1.00 0.00 C ATOM 1189 CZ PHE A 72 -8.245 -4.197 4.168 1.00 0.00 C ATOM 0 H PHE A 72 -8.866 0.149 7.376 1.00 0.00 H new ATOM 0 HA PHE A 72 -7.138 -2.022 8.291 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -7.033 0.062 6.123 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -5.629 -0.901 6.539 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -5.854 -3.476 6.492 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -8.861 -0.905 4.822 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -6.685 -5.357 5.107 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -9.715 -2.787 3.451 1.00 0.00 H new ATOM 0 HZ PHE A 72 -8.604 -5.013 3.559 1.00 0.00 H new ATOM 1199 N SER A 73 -6.639 0.993 9.381 1.00 0.00 N ATOM 1200 CA SER A 73 -5.938 1.766 10.411 1.00 0.00 C ATOM 1201 C SER A 73 -5.932 1.097 11.793 1.00 0.00 C ATOM 1202 O SER A 73 -5.123 1.460 12.649 1.00 0.00 O ATOM 1203 CB SER A 73 -6.526 3.174 10.487 1.00 0.00 C ATOM 1204 OG SER A 73 -7.924 3.137 10.663 1.00 0.00 O ATOM 0 H SER A 73 -7.409 1.506 8.952 1.00 0.00 H new ATOM 0 HA SER A 73 -4.892 1.816 10.110 1.00 0.00 H new ATOM 0 HB2 SER A 73 -6.068 3.718 11.313 1.00 0.00 H new ATOM 0 HB3 SER A 73 -6.287 3.720 9.574 1.00 0.00 H new ATOM 0 HG SER A 73 -8.365 3.172 9.788 1.00 0.00 H new ATOM 1210 N LYS A 74 -6.744 0.052 12.006 1.00 0.00 N ATOM 1211 CA LYS A 74 -6.676 -0.796 13.193 1.00 0.00 C ATOM 1212 C LYS A 74 -5.258 -1.324 13.437 1.00 0.00 C ATOM 1213 O LYS A 74 -4.903 -1.524 14.598 1.00 0.00 O ATOM 1214 CB LYS A 74 -7.688 -1.944 13.049 1.00 0.00 C ATOM 1215 CG LYS A 74 -7.975 -2.630 14.392 1.00 0.00 C ATOM 1216 CD LYS A 74 -8.995 -3.765 14.240 1.00 0.00 C ATOM 1217 CE LYS A 74 -8.378 -5.097 13.814 1.00 0.00 C ATOM 1218 NZ LYS A 74 -7.649 -5.739 14.925 1.00 0.00 N ATOM 0 H LYS A 74 -7.473 -0.227 11.349 1.00 0.00 H new ATOM 0 HA LYS A 74 -6.934 -0.198 14.067 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -8.618 -1.557 12.634 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -7.304 -2.679 12.341 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -7.047 -3.027 14.804 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -8.351 -1.895 15.104 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -9.515 -3.903 15.188 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -9.745 -3.471 13.505 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -9.163 -5.765 13.459 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -7.697 -4.933 12.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -7.302 -6.671 14.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -6.843 -5.143 15.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -8.288 -5.857 15.737 1.00 0.00 H new ATOM 1232 N LYS A 75 -4.451 -1.557 12.391 1.00 0.00 N ATOM 1233 CA LYS A 75 -3.034 -1.899 12.556 1.00 0.00 C ATOM 1234 C LYS A 75 -2.127 -1.486 11.394 1.00 0.00 C ATOM 1235 O LYS A 75 -0.917 -1.662 11.516 1.00 0.00 O ATOM 1236 CB LYS A 75 -2.871 -3.413 12.822 1.00 0.00 C ATOM 1237 CG LYS A 75 -2.685 -3.720 14.317 1.00 0.00 C ATOM 1238 CD LYS A 75 -1.790 -4.943 14.526 1.00 0.00 C ATOM 1239 CE LYS A 75 -1.544 -5.117 16.025 1.00 0.00 C ATOM 1240 NZ LYS A 75 -0.373 -5.960 16.306 1.00 0.00 N ATOM 0 H LYS A 75 -4.759 -1.514 11.420 1.00 0.00 H new ATOM 0 HA LYS A 75 -2.705 -1.314 13.415 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.748 -3.943 12.450 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -2.012 -3.788 12.266 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.246 -2.856 14.816 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -3.657 -3.895 14.778 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -2.265 -5.834 14.115 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -0.844 -4.814 14.000 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -1.402 -4.138 16.483 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -2.427 -5.560 16.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -0.248 -6.048 17.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -0.517 -6.903 15.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 0.475 -5.526 15.890 1.00 0.00 H new ATOM 1254 N ILE A 76 -2.653 -1.011 10.268 1.00 0.00 N ATOM 1255 CA ILE A 76 -1.871 -0.800 9.056 1.00 0.00 C ATOM 1256 C ILE A 76 -1.874 0.702 8.816 1.00 0.00 C ATOM 1257 O ILE A 76 -2.946 1.308 8.734 1.00 0.00 O ATOM 1258 CB ILE A 76 -2.439 -1.615 7.866 1.00 0.00 C ATOM 1259 CG1 ILE A 76 -2.806 -3.055 8.287 1.00 0.00 C ATOM 1260 CG2 ILE A 76 -1.398 -1.643 6.737 1.00 0.00 C ATOM 1261 CD1 ILE A 76 -3.251 -3.982 7.151 1.00 0.00 C ATOM 0 H ILE A 76 -3.637 -0.761 10.172 1.00 0.00 H new ATOM 0 HA ILE A 76 -0.847 -1.159 9.162 1.00 0.00 H new ATOM 0 HB ILE A 76 -3.354 -1.133 7.520 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.943 -3.502 8.780 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -3.605 -3.006 9.027 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -1.789 -2.215 5.895 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -1.183 -0.624 6.415 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -0.482 -2.110 7.098 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -3.485 -4.967 7.555 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -4.137 -3.568 6.669 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -2.448 -4.072 6.419 1.00 0.00 H new ATOM 1273 N GLU A 77 -0.687 1.301 8.729 1.00 0.00 N ATOM 1274 CA GLU A 77 -0.560 2.710 8.394 1.00 0.00 C ATOM 1275 C GLU A 77 -1.069 2.943 6.965 1.00 0.00 C ATOM 1276 O GLU A 77 -1.191 2.015 6.161 1.00 0.00 O ATOM 1277 CB GLU A 77 0.889 3.192 8.567 1.00 0.00 C ATOM 1278 CG GLU A 77 1.339 3.144 10.037 1.00 0.00 C ATOM 1279 CD GLU A 77 2.602 3.958 10.349 1.00 0.00 C ATOM 1280 OE1 GLU A 77 2.934 4.938 9.640 1.00 0.00 O ATOM 1281 OE2 GLU A 77 3.222 3.700 11.402 1.00 0.00 O ATOM 0 H GLU A 77 0.202 0.826 8.888 1.00 0.00 H new ATOM 0 HA GLU A 77 -1.171 3.297 9.080 1.00 0.00 H new ATOM 0 HB2 GLU A 77 1.552 2.572 7.964 1.00 0.00 H new ATOM 0 HB3 GLU A 77 0.979 4.212 8.193 1.00 0.00 H new ATOM 0 HG2 GLU A 77 0.525 3.508 10.664 1.00 0.00 H new ATOM 0 HG3 GLU A 77 1.515 2.105 10.315 1.00 0.00 H new ATOM 1288 N ILE A 78 -1.397 4.190 6.636 1.00 0.00 N ATOM 1289 CA ILE A 78 -2.018 4.549 5.367 1.00 0.00 C ATOM 1290 C ILE A 78 -1.325 5.823 4.895 1.00 0.00 C ATOM 1291 O ILE A 78 -1.208 6.774 5.677 1.00 0.00 O ATOM 1292 CB ILE A 78 -3.554 4.704 5.531 1.00 0.00 C ATOM 1293 CG1 ILE A 78 -4.182 3.464 6.220 1.00 0.00 C ATOM 1294 CG2 ILE A 78 -4.179 4.935 4.142 1.00 0.00 C ATOM 1295 CD1 ILE A 78 -5.688 3.547 6.478 1.00 0.00 C ATOM 0 H ILE A 78 -1.237 4.988 7.251 1.00 0.00 H new ATOM 0 HA ILE A 78 -1.895 3.771 4.614 1.00 0.00 H new ATOM 0 HB ILE A 78 -3.758 5.560 6.174 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -3.984 2.588 5.602 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -3.676 3.304 7.172 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -5.259 5.046 4.243 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -3.761 5.840 3.701 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -3.960 4.083 3.498 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -6.025 2.631 6.962 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -5.900 4.398 7.125 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -6.213 3.671 5.531 1.00 0.00 H new ATOM 1307 N TYR A 79 -0.850 5.830 3.648 1.00 0.00 N ATOM 1308 CA TYR A 79 -0.028 6.887 3.076 1.00 0.00 C ATOM 1309 C TYR A 79 -0.539 7.313 1.705 1.00 0.00 C ATOM 1310 O TYR A 79 -1.260 6.568 1.034 1.00 0.00 O ATOM 1311 CB TYR A 79 1.402 6.392 2.922 1.00 0.00 C ATOM 1312 CG TYR A 79 2.177 6.196 4.207 1.00 0.00 C ATOM 1313 CD1 TYR A 79 2.053 4.996 4.929 1.00 0.00 C ATOM 1314 CD2 TYR A 79 3.103 7.173 4.615 1.00 0.00 C ATOM 1315 CE1 TYR A 79 2.839 4.783 6.071 1.00 0.00 C ATOM 1316 CE2 TYR A 79 3.902 6.961 5.749 1.00 0.00 C ATOM 1317 CZ TYR A 79 3.751 5.771 6.495 1.00 0.00 C ATOM 1318 OH TYR A 79 4.460 5.585 7.637 1.00 0.00 O ATOM 0 H TYR A 79 -1.036 5.073 2.990 1.00 0.00 H new ATOM 0 HA TYR A 79 -0.073 7.742 3.750 1.00 0.00 H new ATOM 0 HB2 TYR A 79 1.382 5.444 2.385 1.00 0.00 H new ATOM 0 HB3 TYR A 79 1.946 7.101 2.297 1.00 0.00 H new ATOM 0 HD1 TYR A 79 1.354 4.239 4.605 1.00 0.00 H new ATOM 0 HD2 TYR A 79 3.200 8.090 4.053 1.00 0.00 H new ATOM 0 HE1 TYR A 79 2.745 3.861 6.626 1.00 0.00 H new ATOM 0 HE2 TYR A 79 4.627 7.703 6.049 1.00 0.00 H new ATOM 0 HH TYR A 79 3.938 5.039 8.261 1.00 0.00 H new ATOM 1328 N HIS A 80 -0.113 8.507 1.296 1.00 0.00 N ATOM 1329 CA HIS A 80 -0.565 9.210 0.115 1.00 0.00 C ATOM 1330 C HIS A 80 0.511 9.172 -0.963 1.00 0.00 C ATOM 1331 O HIS A 80 1.621 9.660 -0.746 1.00 0.00 O ATOM 1332 CB HIS A 80 -0.885 10.661 0.474 1.00 0.00 C ATOM 1333 CG HIS A 80 -1.764 11.290 -0.573 1.00 0.00 C ATOM 1334 ND1 HIS A 80 -1.383 12.223 -1.511 1.00 0.00 N ATOM 1335 CD2 HIS A 80 -3.055 10.929 -0.846 1.00 0.00 C ATOM 1336 CE1 HIS A 80 -2.445 12.446 -2.309 1.00 0.00 C ATOM 1337 NE2 HIS A 80 -3.478 11.678 -1.940 1.00 0.00 N ATOM 0 H HIS A 80 0.594 9.030 1.813 1.00 0.00 H new ATOM 0 HA HIS A 80 -1.463 8.724 -0.266 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -1.382 10.699 1.443 1.00 0.00 H new ATOM 0 HB3 HIS A 80 0.040 11.230 0.568 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -3.640 10.196 -0.310 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -2.461 13.146 -3.131 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -4.399 11.648 -2.377 1.00 0.00 H new ATOM 1345 N ALA A 81 0.189 8.634 -2.133 1.00 0.00 N ATOM 1346 CA ALA A 81 1.108 8.594 -3.261 1.00 0.00 C ATOM 1347 C ALA A 81 1.174 9.972 -3.940 1.00 0.00 C ATOM 1348 O ALA A 81 0.145 10.496 -4.379 1.00 0.00 O ATOM 1349 CB ALA A 81 0.681 7.515 -4.258 1.00 0.00 C ATOM 0 H ALA A 81 -0.720 8.212 -2.326 1.00 0.00 H new ATOM 0 HA ALA A 81 2.104 8.343 -2.896 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.378 7.497 -5.096 1.00 0.00 H new ATOM 0 HB2 ALA A 81 0.682 6.543 -3.765 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -0.322 7.735 -4.625 1.00 0.00 H new ATOM 1355 N GLU A 82 2.377 10.538 -4.084 1.00 0.00 N ATOM 1356 CA GLU A 82 2.653 11.867 -4.652 1.00 0.00 C ATOM 1357 C GLU A 82 2.310 11.966 -6.145 1.00 0.00 C ATOM 1358 O GLU A 82 2.319 13.033 -6.766 1.00 0.00 O ATOM 1359 CB GLU A 82 4.132 12.224 -4.380 1.00 0.00 C ATOM 1360 CG GLU A 82 5.135 11.433 -5.237 1.00 0.00 C ATOM 1361 CD GLU A 82 6.028 12.322 -6.125 1.00 0.00 C ATOM 1362 OE1 GLU A 82 6.978 12.969 -5.634 1.00 0.00 O ATOM 1363 OE2 GLU A 82 5.819 12.325 -7.366 1.00 0.00 O ATOM 0 H GLU A 82 3.230 10.059 -3.794 1.00 0.00 H new ATOM 0 HA GLU A 82 2.002 12.592 -4.163 1.00 0.00 H new ATOM 0 HB2 GLU A 82 4.277 13.289 -4.560 1.00 0.00 H new ATOM 0 HB3 GLU A 82 4.350 12.046 -3.327 1.00 0.00 H new ATOM 0 HG2 GLU A 82 5.769 10.837 -4.581 1.00 0.00 H new ATOM 0 HG3 GLU A 82 4.587 10.736 -5.871 1.00 0.00 H new ATOM 1370 N GLY A 83 2.011 10.824 -6.739 1.00 0.00 N ATOM 1371 CA GLY A 83 1.981 10.579 -8.150 1.00 0.00 C ATOM 1372 C GLY A 83 1.713 9.114 -8.352 1.00 0.00 C ATOM 1373 O GLY A 83 1.561 8.367 -7.387 1.00 0.00 O ATOM 0 H GLY A 83 1.768 9.993 -6.201 1.00 0.00 H new ATOM 0 HA2 GLY A 83 1.206 11.179 -8.626 1.00 0.00 H new ATOM 0 HA3 GLY A 83 2.929 10.861 -8.608 1.00 0.00 H new ATOM 1377 N ASP A 84 1.538 8.742 -9.605 1.00 0.00 N ATOM 1378 CA ASP A 84 1.110 7.399 -9.961 1.00 0.00 C ATOM 1379 C ASP A 84 2.335 6.507 -10.161 1.00 0.00 C ATOM 1380 O ASP A 84 2.204 5.299 -10.352 1.00 0.00 O ATOM 1381 CB ASP A 84 0.228 7.471 -11.210 1.00 0.00 C ATOM 1382 CG ASP A 84 -0.915 8.468 -11.022 1.00 0.00 C ATOM 1383 OD1 ASP A 84 -1.919 8.156 -10.352 1.00 0.00 O ATOM 1384 OD2 ASP A 84 -0.770 9.622 -11.488 1.00 0.00 O ATOM 0 H ASP A 84 1.687 9.358 -10.404 1.00 0.00 H new ATOM 0 HA ASP A 84 0.517 6.957 -9.160 1.00 0.00 H new ATOM 0 HB2 ASP A 84 0.832 7.764 -12.069 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -0.179 6.484 -11.428 1.00 0.00 H new ATOM 1389 N ASP A 85 3.528 7.107 -10.113 1.00 0.00 N ATOM 1390 CA ASP A 85 4.805 6.500 -10.400 1.00 0.00 C ATOM 1391 C ASP A 85 5.144 5.673 -9.167 1.00 0.00 C ATOM 1392 O ASP A 85 5.594 6.211 -8.146 1.00 0.00 O ATOM 1393 CB ASP A 85 5.822 7.632 -10.592 1.00 0.00 C ATOM 1394 CG ASP A 85 6.381 7.762 -11.995 1.00 0.00 C ATOM 1395 OD1 ASP A 85 5.566 7.913 -12.938 1.00 0.00 O ATOM 1396 OD2 ASP A 85 7.618 7.904 -12.116 1.00 0.00 O ATOM 0 H ASP A 85 3.619 8.090 -9.856 1.00 0.00 H new ATOM 0 HA ASP A 85 4.804 5.877 -11.294 1.00 0.00 H new ATOM 0 HB2 ASP A 85 5.349 8.575 -10.317 1.00 0.00 H new ATOM 0 HB3 ASP A 85 6.650 7.477 -9.900 1.00 0.00 H new ATOM 1401 N VAL A 86 4.906 4.368 -9.232 1.00 0.00 N ATOM 1402 CA VAL A 86 5.265 3.446 -8.166 1.00 0.00 C ATOM 1403 C VAL A 86 6.721 3.658 -7.750 1.00 0.00 C ATOM 1404 O VAL A 86 7.015 3.621 -6.556 1.00 0.00 O ATOM 1405 CB VAL A 86 5.005 1.994 -8.612 1.00 0.00 C ATOM 1406 CG1 VAL A 86 5.607 0.970 -7.644 1.00 0.00 C ATOM 1407 CG2 VAL A 86 3.510 1.711 -8.756 1.00 0.00 C ATOM 0 H VAL A 86 4.456 3.920 -10.030 1.00 0.00 H new ATOM 0 HA VAL A 86 4.641 3.643 -7.294 1.00 0.00 H new ATOM 0 HB VAL A 86 5.493 1.890 -9.581 1.00 0.00 H new ATOM 0 HG11 VAL A 86 5.396 -0.037 -8.003 1.00 0.00 H new ATOM 0 HG12 VAL A 86 6.686 1.116 -7.584 1.00 0.00 H new ATOM 0 HG13 VAL A 86 5.168 1.102 -6.655 1.00 0.00 H new ATOM 0 HG21 VAL A 86 3.364 0.678 -9.072 1.00 0.00 H new ATOM 0 HG22 VAL A 86 3.015 1.871 -7.798 1.00 0.00 H new ATOM 0 HG23 VAL A 86 3.083 2.382 -9.501 1.00 0.00 H new ATOM 1417 N ASP A 87 7.616 3.908 -8.703 1.00 0.00 N ATOM 1418 CA ASP A 87 9.062 3.840 -8.483 1.00 0.00 C ATOM 1419 C ASP A 87 9.480 5.019 -7.611 1.00 0.00 C ATOM 1420 O ASP A 87 10.216 4.861 -6.631 1.00 0.00 O ATOM 1421 CB ASP A 87 9.829 3.822 -9.822 1.00 0.00 C ATOM 1422 CG ASP A 87 9.741 2.470 -10.543 1.00 0.00 C ATOM 1423 OD1 ASP A 87 8.697 1.785 -10.420 1.00 0.00 O ATOM 1424 OD2 ASP A 87 10.710 2.060 -11.221 1.00 0.00 O ATOM 0 H ASP A 87 7.359 4.165 -9.656 1.00 0.00 H new ATOM 0 HA ASP A 87 9.311 2.911 -7.970 1.00 0.00 H new ATOM 0 HB2 ASP A 87 9.432 4.601 -10.473 1.00 0.00 H new ATOM 0 HB3 ASP A 87 10.876 4.063 -9.638 1.00 0.00 H new ATOM 1429 N LYS A 88 8.933 6.207 -7.900 1.00 0.00 N ATOM 1430 CA LYS A 88 9.145 7.368 -7.051 1.00 0.00 C ATOM 1431 C LYS A 88 8.573 7.121 -5.663 1.00 0.00 C ATOM 1432 O LYS A 88 9.205 7.424 -4.657 1.00 0.00 O ATOM 1433 CB LYS A 88 8.494 8.585 -7.716 1.00 0.00 C ATOM 1434 CG LYS A 88 8.676 9.900 -6.947 1.00 0.00 C ATOM 1435 CD LYS A 88 10.129 10.132 -6.510 1.00 0.00 C ATOM 1436 CE LYS A 88 10.447 11.592 -6.180 1.00 0.00 C ATOM 1437 NZ LYS A 88 10.778 12.365 -7.394 1.00 0.00 N ATOM 0 H LYS A 88 8.344 6.381 -8.714 1.00 0.00 H new ATOM 0 HA LYS A 88 10.212 7.556 -6.932 1.00 0.00 H new ATOM 0 HB2 LYS A 88 8.910 8.703 -8.717 1.00 0.00 H new ATOM 0 HB3 LYS A 88 7.428 8.392 -7.835 1.00 0.00 H new ATOM 0 HG2 LYS A 88 8.352 10.731 -7.574 1.00 0.00 H new ATOM 0 HG3 LYS A 88 8.032 9.894 -6.067 1.00 0.00 H new ATOM 0 HD2 LYS A 88 10.338 9.517 -5.635 1.00 0.00 H new ATOM 0 HD3 LYS A 88 10.796 9.795 -7.303 1.00 0.00 H new ATOM 0 HE2 LYS A 88 9.592 12.047 -5.680 1.00 0.00 H new ATOM 0 HE3 LYS A 88 11.283 11.634 -5.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 10.988 13.349 -7.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 11.609 11.945 -7.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 9.970 12.346 -8.049 1.00 0.00 H new ATOM 1451 N ASN A 89 7.363 6.582 -5.601 1.00 0.00 N ATOM 1452 CA ASN A 89 6.638 6.470 -4.348 1.00 0.00 C ATOM 1453 C ASN A 89 7.255 5.403 -3.445 1.00 0.00 C ATOM 1454 O ASN A 89 7.275 5.573 -2.232 1.00 0.00 O ATOM 1455 CB ASN A 89 5.159 6.248 -4.668 1.00 0.00 C ATOM 1456 CG ASN A 89 4.533 7.592 -5.003 1.00 0.00 C ATOM 1457 OD1 ASN A 89 4.098 8.318 -4.126 1.00 0.00 O ATOM 1458 ND2 ASN A 89 4.562 7.996 -6.257 1.00 0.00 N ATOM 0 H ASN A 89 6.863 6.214 -6.410 1.00 0.00 H new ATOM 0 HA ASN A 89 6.715 7.391 -3.770 1.00 0.00 H new ATOM 0 HB2 ASN A 89 5.052 5.560 -5.507 1.00 0.00 H new ATOM 0 HB3 ASN A 89 4.651 5.795 -3.817 1.00 0.00 H new ATOM 0 HD21 ASN A 89 4.218 8.925 -6.502 1.00 0.00 H new ATOM 0 HD22 ASN A 89 4.928 7.380 -6.983 1.00 0.00 H new ATOM 1465 N ILE A 90 7.822 4.332 -4.005 1.00 0.00 N ATOM 1466 CA ILE A 90 8.618 3.357 -3.268 1.00 0.00 C ATOM 1467 C ILE A 90 9.854 4.064 -2.705 1.00 0.00 C ATOM 1468 O ILE A 90 10.128 3.929 -1.513 1.00 0.00 O ATOM 1469 CB ILE A 90 8.970 2.155 -4.180 1.00 0.00 C ATOM 1470 CG1 ILE A 90 7.733 1.247 -4.376 1.00 0.00 C ATOM 1471 CG2 ILE A 90 10.145 1.321 -3.630 1.00 0.00 C ATOM 1472 CD1 ILE A 90 7.969 0.066 -5.313 1.00 0.00 C ATOM 0 H ILE A 90 7.738 4.118 -4.999 1.00 0.00 H new ATOM 0 HA ILE A 90 8.054 2.948 -2.430 1.00 0.00 H new ATOM 0 HB ILE A 90 9.281 2.568 -5.140 1.00 0.00 H new ATOM 0 HG12 ILE A 90 7.416 0.868 -3.404 1.00 0.00 H new ATOM 0 HG13 ILE A 90 6.912 1.849 -4.767 1.00 0.00 H new ATOM 0 HG21 ILE A 90 10.351 0.492 -4.307 1.00 0.00 H new ATOM 0 HG22 ILE A 90 11.031 1.951 -3.548 1.00 0.00 H new ATOM 0 HG23 ILE A 90 9.885 0.931 -2.646 1.00 0.00 H new ATOM 0 HD11 ILE A 90 7.054 -0.521 -5.397 1.00 0.00 H new ATOM 0 HD12 ILE A 90 8.255 0.435 -6.298 1.00 0.00 H new ATOM 0 HD13 ILE A 90 8.767 -0.561 -4.914 1.00 0.00 H new ATOM 1484 N SER A 91 10.598 4.793 -3.538 1.00 0.00 N ATOM 1485 CA SER A 91 11.850 5.390 -3.100 1.00 0.00 C ATOM 1486 C SER A 91 11.637 6.491 -2.049 1.00 0.00 C ATOM 1487 O SER A 91 12.479 6.652 -1.167 1.00 0.00 O ATOM 1488 CB SER A 91 12.693 5.822 -4.306 1.00 0.00 C ATOM 1489 OG SER A 91 11.958 6.495 -5.312 1.00 0.00 O ATOM 0 H SER A 91 10.354 4.980 -4.511 1.00 0.00 H new ATOM 0 HA SER A 91 12.431 4.630 -2.578 1.00 0.00 H new ATOM 0 HB2 SER A 91 13.496 6.473 -3.960 1.00 0.00 H new ATOM 0 HB3 SER A 91 13.163 4.940 -4.742 1.00 0.00 H new ATOM 0 HG SER A 91 11.448 5.843 -5.836 1.00 0.00 H new ATOM 1495 N LEU A 92 10.517 7.223 -2.097 1.00 0.00 N ATOM 1496 CA LEU A 92 10.108 8.162 -1.048 1.00 0.00 C ATOM 1497 C LEU A 92 9.710 7.393 0.217 1.00 0.00 C ATOM 1498 O LEU A 92 10.067 7.793 1.324 1.00 0.00 O ATOM 1499 CB LEU A 92 8.933 9.025 -1.540 1.00 0.00 C ATOM 1500 CG LEU A 92 9.324 10.080 -2.593 1.00 0.00 C ATOM 1501 CD1 LEU A 92 8.076 10.556 -3.336 1.00 0.00 C ATOM 1502 CD2 LEU A 92 10.010 11.302 -1.979 1.00 0.00 C ATOM 0 H LEU A 92 9.861 7.178 -2.877 1.00 0.00 H new ATOM 0 HA LEU A 92 10.947 8.817 -0.811 1.00 0.00 H new ATOM 0 HB2 LEU A 92 8.169 8.372 -1.962 1.00 0.00 H new ATOM 0 HB3 LEU A 92 8.484 9.530 -0.685 1.00 0.00 H new ATOM 0 HG LEU A 92 10.028 9.598 -3.271 1.00 0.00 H new ATOM 0 HD11 LEU A 92 8.357 11.302 -4.079 1.00 0.00 H new ATOM 0 HD12 LEU A 92 7.603 9.709 -3.833 1.00 0.00 H new ATOM 0 HD13 LEU A 92 7.376 10.997 -2.626 1.00 0.00 H new ATOM 0 HD21 LEU A 92 10.263 12.011 -2.767 1.00 0.00 H new ATOM 0 HD22 LEU A 92 9.337 11.777 -1.265 1.00 0.00 H new ATOM 0 HD23 LEU A 92 10.920 10.989 -1.467 1.00 0.00 H new ATOM 1514 N PHE A 93 8.970 6.290 0.078 1.00 0.00 N ATOM 1515 CA PHE A 93 8.447 5.508 1.193 1.00 0.00 C ATOM 1516 C PHE A 93 9.544 4.968 2.116 1.00 0.00 C ATOM 1517 O PHE A 93 9.380 4.997 3.336 1.00 0.00 O ATOM 1518 CB PHE A 93 7.603 4.351 0.654 1.00 0.00 C ATOM 1519 CG PHE A 93 7.259 3.334 1.708 1.00 0.00 C ATOM 1520 CD1 PHE A 93 6.421 3.704 2.768 1.00 0.00 C ATOM 1521 CD2 PHE A 93 7.828 2.052 1.676 1.00 0.00 C ATOM 1522 CE1 PHE A 93 6.070 2.781 3.763 1.00 0.00 C ATOM 1523 CE2 PHE A 93 7.499 1.135 2.681 1.00 0.00 C ATOM 1524 CZ PHE A 93 6.604 1.488 3.711 1.00 0.00 C ATOM 0 H PHE A 93 8.714 5.911 -0.834 1.00 0.00 H new ATOM 0 HA PHE A 93 7.834 6.179 1.795 1.00 0.00 H new ATOM 0 HB2 PHE A 93 6.683 4.748 0.226 1.00 0.00 H new ATOM 0 HB3 PHE A 93 8.144 3.860 -0.155 1.00 0.00 H new ATOM 0 HD1 PHE A 93 6.040 4.713 2.819 1.00 0.00 H new ATOM 0 HD2 PHE A 93 8.511 1.776 0.886 1.00 0.00 H new ATOM 0 HE1 PHE A 93 5.397 3.064 4.559 1.00 0.00 H new ATOM 0 HE2 PHE A 93 7.935 0.147 2.667 1.00 0.00 H new ATOM 0 HZ PHE A 93 6.330 0.760 4.461 1.00 0.00 H new ATOM 1534 N ILE A 94 10.640 4.455 1.550 1.00 0.00 N ATOM 1535 CA ILE A 94 11.831 3.997 2.268 1.00 0.00 C ATOM 1536 C ILE A 94 12.253 5.059 3.285 1.00 0.00 C ATOM 1537 O ILE A 94 12.363 4.743 4.469 1.00 0.00 O ATOM 1538 CB ILE A 94 12.949 3.661 1.250 1.00 0.00 C ATOM 1539 CG1 ILE A 94 12.523 2.489 0.340 1.00 0.00 C ATOM 1540 CG2 ILE A 94 14.296 3.293 1.897 1.00 0.00 C ATOM 1541 CD1 ILE A 94 13.355 2.418 -0.934 1.00 0.00 C ATOM 0 H ILE A 94 10.724 4.343 0.540 1.00 0.00 H new ATOM 0 HA ILE A 94 11.618 3.085 2.825 1.00 0.00 H new ATOM 0 HB ILE A 94 13.093 4.577 0.678 1.00 0.00 H new ATOM 0 HG12 ILE A 94 12.620 1.552 0.888 1.00 0.00 H new ATOM 0 HG13 ILE A 94 11.470 2.598 0.079 1.00 0.00 H new ATOM 0 HG21 ILE A 94 15.025 3.071 1.118 1.00 0.00 H new ATOM 0 HG22 ILE A 94 14.651 4.129 2.499 1.00 0.00 H new ATOM 0 HG23 ILE A 94 14.167 2.417 2.533 1.00 0.00 H new ATOM 0 HD11 ILE A 94 13.019 1.578 -1.542 1.00 0.00 H new ATOM 0 HD12 ILE A 94 13.238 3.344 -1.497 1.00 0.00 H new ATOM 0 HD13 ILE A 94 14.405 2.281 -0.676 1.00 0.00 H new ATOM 1553 N GLU A 95 12.445 6.293 2.820 1.00 0.00 N ATOM 1554 CA GLU A 95 12.845 7.446 3.618 1.00 0.00 C ATOM 1555 C GLU A 95 11.696 8.050 4.427 1.00 0.00 C ATOM 1556 O GLU A 95 11.926 8.973 5.210 1.00 0.00 O ATOM 1557 CB GLU A 95 13.448 8.481 2.659 1.00 0.00 C ATOM 1558 CG GLU A 95 14.920 8.156 2.373 1.00 0.00 C ATOM 1559 CD GLU A 95 15.848 9.216 2.954 1.00 0.00 C ATOM 1560 OE1 GLU A 95 16.104 9.220 4.179 1.00 0.00 O ATOM 1561 OE2 GLU A 95 16.314 10.096 2.186 1.00 0.00 O ATOM 0 H GLU A 95 12.320 6.524 1.834 1.00 0.00 H new ATOM 0 HA GLU A 95 13.575 7.124 4.361 1.00 0.00 H new ATOM 0 HB2 GLU A 95 12.884 8.493 1.726 1.00 0.00 H new ATOM 0 HB3 GLU A 95 13.367 9.478 3.093 1.00 0.00 H new ATOM 0 HG2 GLU A 95 15.168 7.182 2.796 1.00 0.00 H new ATOM 0 HG3 GLU A 95 15.076 8.085 1.297 1.00 0.00 H new ATOM 1568 N GLY A 96 10.464 7.564 4.266 1.00 0.00 N ATOM 1569 CA GLY A 96 9.313 8.062 4.996 1.00 0.00 C ATOM 1570 C GLY A 96 8.844 9.425 4.493 1.00 0.00 C ATOM 1571 O GLY A 96 8.090 10.109 5.178 1.00 0.00 O ATOM 0 H GLY A 96 10.243 6.808 3.618 1.00 0.00 H new ATOM 0 HA2 GLY A 96 8.495 7.346 4.910 1.00 0.00 H new ATOM 0 HA3 GLY A 96 9.563 8.136 6.054 1.00 0.00 H new ATOM 1575 N GLU A 97 9.306 9.840 3.315 1.00 0.00 N ATOM 1576 CA GLU A 97 9.038 11.146 2.727 1.00 0.00 C ATOM 1577 C GLU A 97 7.586 11.274 2.239 1.00 0.00 C ATOM 1578 O GLU A 97 7.097 12.393 2.083 1.00 0.00 O ATOM 1579 CB GLU A 97 10.050 11.365 1.586 1.00 0.00 C ATOM 1580 CG GLU A 97 11.405 11.891 2.075 1.00 0.00 C ATOM 1581 CD GLU A 97 11.379 13.388 2.398 1.00 0.00 C ATOM 1582 OE1 GLU A 97 10.657 13.822 3.325 1.00 0.00 O ATOM 1583 OE2 GLU A 97 12.137 14.167 1.782 1.00 0.00 O ATOM 0 H GLU A 97 9.897 9.254 2.725 1.00 0.00 H new ATOM 0 HA GLU A 97 9.158 11.921 3.484 1.00 0.00 H new ATOM 0 HB2 GLU A 97 10.202 10.424 1.058 1.00 0.00 H new ATOM 0 HB3 GLU A 97 9.631 12.070 0.868 1.00 0.00 H new ATOM 0 HG2 GLU A 97 11.705 11.337 2.965 1.00 0.00 H new ATOM 0 HG3 GLU A 97 12.160 11.702 1.312 1.00 0.00 H new ATOM 1590 N LEU A 98 6.886 10.150 2.027 1.00 0.00 N ATOM 1591 CA LEU A 98 5.462 10.173 1.685 1.00 0.00 C ATOM 1592 C LEU A 98 4.632 10.590 2.885 1.00 0.00 C ATOM 1593 O LEU A 98 4.851 10.153 4.015 1.00 0.00 O ATOM 1594 CB LEU A 98 4.959 8.821 1.164 1.00 0.00 C ATOM 1595 CG LEU A 98 5.509 8.421 -0.216 1.00 0.00 C ATOM 1596 CD1 LEU A 98 4.854 7.115 -0.661 1.00 0.00 C ATOM 1597 CD2 LEU A 98 5.255 9.478 -1.293 1.00 0.00 C ATOM 0 H LEU A 98 7.286 9.214 2.087 1.00 0.00 H new ATOM 0 HA LEU A 98 5.348 10.902 0.883 1.00 0.00 H new ATOM 0 HB2 LEU A 98 5.225 8.047 1.884 1.00 0.00 H new ATOM 0 HB3 LEU A 98 3.871 8.849 1.113 1.00 0.00 H new ATOM 0 HG LEU A 98 6.588 8.313 -0.105 1.00 0.00 H new ATOM 0 HD11 LEU A 98 5.241 6.828 -1.639 1.00 0.00 H new ATOM 0 HD12 LEU A 98 5.078 6.331 0.062 1.00 0.00 H new ATOM 0 HD13 LEU A 98 3.775 7.252 -0.724 1.00 0.00 H new ATOM 0 HD21 LEU A 98 5.667 9.136 -2.243 1.00 0.00 H new ATOM 0 HD22 LEU A 98 4.182 9.639 -1.399 1.00 0.00 H new ATOM 0 HD23 LEU A 98 5.735 10.413 -1.005 1.00 0.00 H new ATOM 1609 N SER A 99 3.617 11.397 2.600 1.00 0.00 N ATOM 1610 CA SER A 99 2.667 11.898 3.563 1.00 0.00 C ATOM 1611 C SER A 99 1.802 10.737 4.049 1.00 0.00 C ATOM 1612 O SER A 99 1.385 9.894 3.244 1.00 0.00 O ATOM 1613 CB SER A 99 1.814 12.906 2.800 1.00 0.00 C ATOM 1614 OG SER A 99 2.600 13.955 2.260 1.00 0.00 O ATOM 0 H SER A 99 3.434 11.728 1.653 1.00 0.00 H new ATOM 0 HA SER A 99 3.144 12.354 4.431 1.00 0.00 H new ATOM 0 HB2 SER A 99 1.283 12.398 1.995 1.00 0.00 H new ATOM 0 HB3 SER A 99 1.059 13.323 3.467 1.00 0.00 H new ATOM 0 HG SER A 99 2.022 14.581 1.776 1.00 0.00 H new ATOM 1620 N LYS A 100 1.492 10.699 5.345 1.00 0.00 N ATOM 1621 CA LYS A 100 0.431 9.819 5.823 1.00 0.00 C ATOM 1622 C LYS A 100 -0.913 10.392 5.389 1.00 0.00 C ATOM 1623 O LYS A 100 -1.053 11.607 5.234 1.00 0.00 O ATOM 1624 CB LYS A 100 0.514 9.656 7.342 1.00 0.00 C ATOM 1625 CG LYS A 100 1.747 8.815 7.697 1.00 0.00 C ATOM 1626 CD LYS A 100 1.886 8.625 9.207 1.00 0.00 C ATOM 1627 CE LYS A 100 0.936 7.553 9.737 1.00 0.00 C ATOM 1628 NZ LYS A 100 0.874 7.594 11.207 1.00 0.00 N ATOM 0 H LYS A 100 1.950 11.255 6.067 1.00 0.00 H new ATOM 0 HA LYS A 100 0.545 8.825 5.390 1.00 0.00 H new ATOM 0 HB2 LYS A 100 0.576 10.633 7.821 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -0.389 9.174 7.717 1.00 0.00 H new ATOM 0 HG2 LYS A 100 1.675 7.841 7.213 1.00 0.00 H new ATOM 0 HG3 LYS A 100 2.642 9.299 7.307 1.00 0.00 H new ATOM 0 HD2 LYS A 100 2.913 8.349 9.445 1.00 0.00 H new ATOM 0 HD3 LYS A 100 1.685 9.570 9.712 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -0.060 7.705 9.322 1.00 0.00 H new ATOM 0 HE3 LYS A 100 1.271 6.569 9.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 0.223 6.858 11.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 1.822 7.426 11.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 0.533 8.527 11.514 1.00 0.00 H new ATOM 1642 N ILE A 101 -1.912 9.529 5.245 1.00 0.00 N ATOM 1643 CA ILE A 101 -3.305 9.943 5.239 1.00 0.00 C ATOM 1644 C ILE A 101 -3.727 9.909 6.705 1.00 0.00 C ATOM 1645 O ILE A 101 -3.532 8.884 7.361 1.00 0.00 O ATOM 1646 CB ILE A 101 -4.154 9.014 4.339 1.00 0.00 C ATOM 1647 CG1 ILE A 101 -3.555 8.953 2.913 1.00 0.00 C ATOM 1648 CG2 ILE A 101 -5.606 9.516 4.303 1.00 0.00 C ATOM 1649 CD1 ILE A 101 -4.369 8.179 1.864 1.00 0.00 C ATOM 0 H ILE A 101 -1.777 8.525 5.129 1.00 0.00 H new ATOM 0 HA ILE A 101 -3.451 10.938 4.819 1.00 0.00 H new ATOM 0 HB ILE A 101 -4.144 8.005 4.752 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -3.419 9.974 2.555 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -2.564 8.503 2.977 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -6.202 8.860 3.668 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -6.016 9.515 5.313 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -5.631 10.529 3.902 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -3.849 8.207 0.907 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -4.484 7.144 2.184 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -5.352 8.637 1.756 1.00 0.00 H new