USER MOD reduce.3.24.130724 H: found=0, std=0, add=765, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 766 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 53 MET CE :methyl 165:sc= -0.847 (180deg=-1.63!) USER MOD Set 1.2: A 57 MET CE :methyl -150:sc= -2.19 (180deg=-2.57) USER MOD Set 2.1: A 43 CYS SG : rot 108:sc= -1.81! USER MOD Set 2.2: A 45 SER OG : rot 3:sc= 0.796 USER MOD Set 3.1: A 7 MET CE :methyl -129:sc= -3.38 (180deg=-5.16!) USER MOD Set 3.2: A 41 SER OG : rot -76:sc= -1.98 USER MOD Set 4.1: A 19 LYS NZ :NH3+ 168:sc= -0.172 (180deg=0) USER MOD Set 4.2: A 23 LYS NZ :NH3+ -128:sc= -2.69! (180deg=-2.18) USER MOD Set 5.1: A 17 GLN :FLIP amide:sc= -1.98! F(o=-7.7,f=-5.4!) USER MOD Set 5.2: A 74 GLN :FLIP amide:sc= -3.46 F(o=-7!,f=-5.4) USER MOD Single : A 2 LYS NZ :NH3+ -114:sc= -1.03 (180deg=-3.1!) USER MOD Single : A 5 SER OG : rot 180:sc= -0.991 USER MOD Single : A 6 ASN : amide:sc= -3.42! C(o=-3.4!,f=-3.9!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 34:sc= 0.658 USER MOD Single : A 14 LYS NZ :NH3+ 158:sc= -0.104 (180deg=-0.97) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN :FLIP amide:sc= -0.176 F(o=-1.3!,f=-0.18) USER MOD Single : A 25 MET CE :methyl -134:sc= -0.0765 (180deg=-0.681) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 72:sc= -0.814 USER MOD Single : A 36 SER OG : rot 180:sc=-0.00764 USER MOD Single : A 38 ASN : amide:sc= 0.345 K(o=0.35,f=-1.4) USER MOD Single : A 39 LYS NZ :NH3+ -164:sc= -0.0123 (180deg=-0.301) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -125:sc= 0.962 (180deg=-1.42!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 160:sc= -0.0819 (180deg=-0.592) USER MOD Single : A 64 ASN :FLIP amide:sc= -0.12 F(o=-1.4!,f=-0.12) USER MOD Single : A 69 CYS SG : rot 180:sc= 0.493 USER MOD Single : A 77 SER OG : rot -21:sc= -0.934 USER MOD Single : A 79 SER OG : rot 130:sc= -3.71! USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= -0.159 X(o=-0.16,f=-0.16) USER MOD Single : A 88 SER OG : rot 2:sc= 0.228 USER MOD Single : A 90 HIS : no HD1:sc= -1.05 X(o=-1,f=-1.3) USER MOD Single : A 91 SER OG : rot -107:sc= 0.133 USER MOD Single : A 93 SER OG : rot 100:sc= -0.634! USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 11.574 11.466 0.223 1.00 1.00 N ATOM 21 CA LYS A 2 11.944 10.128 -0.227 1.00 1.00 C ATOM 22 C LYS A 2 11.137 9.073 0.531 1.00 1.00 C ATOM 23 O LYS A 2 11.698 8.264 1.272 1.00 1.00 O ATOM 24 CB LYS A 2 13.442 9.924 0.006 1.00 1.00 C ATOM 25 CG LYS A 2 14.197 11.110 -0.595 1.00 1.00 C ATOM 26 CD LYS A 2 15.701 10.815 -0.648 1.00 1.00 C ATOM 27 CE LYS A 2 16.257 10.632 0.774 1.00 1.00 C ATOM 28 NZ LYS A 2 16.069 9.219 1.204 1.00 1.00 N ATOM 0 HA LYS A 2 11.724 10.024 -1.289 1.00 1.00 H new ATOM 0 HB2 LYS A 2 13.651 9.844 1.073 1.00 1.00 H new ATOM 0 HB3 LYS A 2 13.773 8.993 -0.454 1.00 1.00 H new ATOM 0 HG2 LYS A 2 13.825 11.315 -1.599 1.00 1.00 H new ATOM 0 HG3 LYS A 2 14.016 12.004 0.001 1.00 1.00 H new ATOM 0 HD2 LYS A 2 15.882 9.915 -1.236 1.00 1.00 H new ATOM 0 HD3 LYS A 2 16.222 11.632 -1.148 1.00 1.00 H new ATOM 0 HE2 LYS A 2 17.315 10.893 0.798 1.00 1.00 H new ATOM 0 HE3 LYS A 2 15.747 11.304 1.464 1.00 1.00 H new ATOM 0 HZ1 LYS A 2 15.395 9.184 1.995 1.00 1.00 H new ATOM 0 HZ2 LYS A 2 15.699 8.660 0.409 1.00 1.00 H new ATOM 0 HZ3 LYS A 2 16.982 8.825 1.509 1.00 1.00 H new ATOM 42 N PRO A 3 9.833 9.090 0.379 1.00 1.00 N ATOM 43 CA PRO A 3 8.931 8.132 1.083 1.00 1.00 C ATOM 44 C PRO A 3 8.847 6.753 0.415 1.00 1.00 C ATOM 45 O PRO A 3 9.040 5.731 1.073 1.00 1.00 O ATOM 46 CB PRO A 3 7.573 8.851 1.052 1.00 1.00 C ATOM 47 CG PRO A 3 7.608 9.718 -0.178 1.00 1.00 C ATOM 48 CD PRO A 3 9.083 10.028 -0.475 1.00 1.00 C ATOM 0 HA PRO A 3 9.292 7.904 2.086 1.00 1.00 H new ATOM 0 HB2 PRO A 3 6.751 8.137 1.006 1.00 1.00 H new ATOM 0 HB3 PRO A 3 7.425 9.450 1.951 1.00 1.00 H new ATOM 0 HG2 PRO A 3 7.145 9.207 -1.022 1.00 1.00 H new ATOM 0 HG3 PRO A 3 7.047 10.638 -0.016 1.00 1.00 H new ATOM 0 HD2 PRO A 3 9.316 9.879 -1.529 1.00 1.00 H new ATOM 0 HD3 PRO A 3 9.327 11.064 -0.238 1.00 1.00 H new ATOM 56 N LEU A 4 8.537 6.724 -0.881 1.00 1.00 N ATOM 57 CA LEU A 4 8.410 5.453 -1.605 1.00 1.00 C ATOM 58 C LEU A 4 9.694 5.097 -2.340 1.00 1.00 C ATOM 59 O LEU A 4 9.755 4.084 -3.034 1.00 1.00 O ATOM 60 CB LEU A 4 7.258 5.531 -2.616 1.00 1.00 C ATOM 61 CG LEU A 4 5.899 5.313 -1.916 1.00 1.00 C ATOM 62 CD1 LEU A 4 5.773 3.869 -1.387 1.00 1.00 C ATOM 63 CD2 LEU A 4 5.756 6.299 -0.755 1.00 1.00 C ATOM 0 H LEU A 4 8.370 7.555 -1.449 1.00 1.00 H new ATOM 0 HA LEU A 4 8.206 4.677 -0.867 1.00 1.00 H new ATOM 0 HB2 LEU A 4 7.266 6.503 -3.109 1.00 1.00 H new ATOM 0 HB3 LEU A 4 7.397 4.778 -3.392 1.00 1.00 H new ATOM 0 HG LEU A 4 5.106 5.482 -2.645 1.00 1.00 H new ATOM 0 HD11 LEU A 4 4.807 3.743 -0.899 1.00 1.00 H new ATOM 0 HD12 LEU A 4 5.853 3.169 -2.218 1.00 1.00 H new ATOM 0 HD13 LEU A 4 6.570 3.673 -0.670 1.00 1.00 H new ATOM 0 HD21 LEU A 4 4.796 6.144 -0.262 1.00 1.00 H new ATOM 0 HD22 LEU A 4 6.562 6.138 -0.039 1.00 1.00 H new ATOM 0 HD23 LEU A 4 5.808 7.319 -1.136 1.00 1.00 H new ATOM 75 N SER A 5 10.708 5.932 -2.206 1.00 1.00 N ATOM 76 CA SER A 5 11.967 5.677 -2.878 1.00 1.00 C ATOM 77 C SER A 5 12.775 4.625 -2.129 1.00 1.00 C ATOM 78 O SER A 5 12.995 4.751 -0.928 1.00 1.00 O ATOM 79 CB SER A 5 12.774 6.972 -2.950 1.00 1.00 C ATOM 80 OG SER A 5 11.936 8.031 -3.395 1.00 1.00 O ATOM 0 H SER A 5 10.685 6.783 -1.644 1.00 1.00 H new ATOM 0 HA SER A 5 11.757 5.309 -3.882 1.00 1.00 H new ATOM 0 HB2 SER A 5 13.188 7.209 -1.970 1.00 1.00 H new ATOM 0 HB3 SER A 5 13.616 6.850 -3.631 1.00 1.00 H new ATOM 0 HG SER A 5 12.454 8.861 -3.440 1.00 1.00 H new ATOM 86 N ASN A 6 13.208 3.601 -2.869 1.00 1.00 N ATOM 87 CA ASN A 6 14.012 2.492 -2.334 1.00 1.00 C ATOM 88 C ASN A 6 13.123 1.327 -1.963 1.00 1.00 C ATOM 89 O ASN A 6 13.523 0.444 -1.203 1.00 1.00 O ATOM 90 CB ASN A 6 14.837 2.909 -1.107 1.00 1.00 C ATOM 91 CG ASN A 6 15.536 4.240 -1.364 1.00 1.00 C ATOM 92 OD1 ASN A 6 15.313 5.211 -0.642 1.00 1.00 O ATOM 93 ND2 ASN A 6 16.371 4.337 -2.364 1.00 1.00 N ATOM 0 H ASN A 6 13.010 3.515 -3.866 1.00 1.00 H new ATOM 0 HA ASN A 6 14.705 2.197 -3.122 1.00 1.00 H new ATOM 0 HB2 ASN A 6 14.187 2.994 -0.236 1.00 1.00 H new ATOM 0 HB3 ASN A 6 15.576 2.141 -0.879 1.00 1.00 H new ATOM 0 HD21 ASN A 6 16.843 5.222 -2.550 1.00 1.00 H new ATOM 0 HD22 ASN A 6 16.551 3.528 -2.958 1.00 1.00 H new ATOM 100 N MET A 7 11.916 1.321 -2.514 1.00 1.00 N ATOM 101 CA MET A 7 10.977 0.241 -2.249 1.00 1.00 C ATOM 102 C MET A 7 10.042 0.041 -3.437 1.00 1.00 C ATOM 103 O MET A 7 9.773 0.975 -4.190 1.00 1.00 O ATOM 104 CB MET A 7 10.161 0.568 -1.002 1.00 1.00 C ATOM 105 CG MET A 7 9.463 1.914 -1.189 1.00 1.00 C ATOM 106 SD MET A 7 8.377 2.264 0.217 1.00 1.00 S ATOM 107 CE MET A 7 7.043 1.098 -0.170 1.00 1.00 C ATOM 0 H MET A 7 11.567 2.045 -3.142 1.00 1.00 H new ATOM 0 HA MET A 7 11.538 -0.680 -2.089 1.00 1.00 H new ATOM 0 HB2 MET A 7 9.424 -0.214 -0.821 1.00 1.00 H new ATOM 0 HB3 MET A 7 10.811 0.602 -0.128 1.00 1.00 H new ATOM 0 HG2 MET A 7 10.206 2.705 -1.288 1.00 1.00 H new ATOM 0 HG3 MET A 7 8.882 1.904 -2.111 1.00 1.00 H new ATOM 0 HE1 MET A 7 6.086 1.619 -0.145 1.00 1.00 H new ATOM 0 HE2 MET A 7 7.203 0.679 -1.164 1.00 1.00 H new ATOM 0 HE3 MET A 7 7.038 0.294 0.566 1.00 1.00 H new ATOM 117 N LYS A 8 9.527 -1.179 -3.586 1.00 1.00 N ATOM 118 CA LYS A 8 8.597 -1.490 -4.672 1.00 1.00 C ATOM 119 C LYS A 8 7.169 -1.484 -4.155 1.00 1.00 C ATOM 120 O LYS A 8 6.923 -1.567 -2.954 1.00 1.00 O ATOM 121 CB LYS A 8 8.907 -2.856 -5.299 1.00 1.00 C ATOM 122 CG LYS A 8 10.161 -2.776 -6.187 1.00 1.00 C ATOM 123 CD LYS A 8 11.414 -2.924 -5.328 1.00 1.00 C ATOM 124 CE LYS A 8 12.650 -2.982 -6.229 1.00 1.00 C ATOM 125 NZ LYS A 8 13.868 -3.121 -5.380 1.00 1.00 N ATOM 0 H LYS A 8 9.737 -1.966 -2.971 1.00 1.00 H new ATOM 0 HA LYS A 8 8.714 -0.724 -5.439 1.00 1.00 H new ATOM 0 HB2 LYS A 8 9.059 -3.596 -4.513 1.00 1.00 H new ATOM 0 HB3 LYS A 8 8.056 -3.191 -5.892 1.00 1.00 H new ATOM 0 HG2 LYS A 8 10.133 -3.561 -6.943 1.00 1.00 H new ATOM 0 HG3 LYS A 8 10.183 -1.824 -6.717 1.00 1.00 H new ATOM 0 HD2 LYS A 8 11.494 -2.085 -4.637 1.00 1.00 H new ATOM 0 HD3 LYS A 8 11.349 -3.829 -4.724 1.00 1.00 H new ATOM 0 HE2 LYS A 8 12.574 -3.823 -6.918 1.00 1.00 H new ATOM 0 HE3 LYS A 8 12.716 -2.079 -6.835 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 14.712 -3.161 -5.987 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 13.940 -2.304 -4.740 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 13.803 -3.995 -4.820 1.00 1.00 H new ATOM 139 N ILE A 9 6.233 -1.348 -5.078 1.00 1.00 N ATOM 140 CA ILE A 9 4.809 -1.293 -4.733 1.00 1.00 C ATOM 141 C ILE A 9 3.995 -2.281 -5.566 1.00 1.00 C ATOM 142 O ILE A 9 4.347 -2.599 -6.702 1.00 1.00 O ATOM 143 CB ILE A 9 4.285 0.120 -4.984 1.00 1.00 C ATOM 144 CG1 ILE A 9 4.926 1.104 -4.003 1.00 1.00 C ATOM 145 CG2 ILE A 9 2.756 0.154 -4.824 1.00 1.00 C ATOM 146 CD1 ILE A 9 4.679 2.532 -4.487 1.00 1.00 C ATOM 0 H ILE A 9 6.426 -1.273 -6.077 1.00 1.00 H new ATOM 0 HA ILE A 9 4.703 -1.561 -3.682 1.00 1.00 H new ATOM 0 HB ILE A 9 4.545 0.411 -6.002 1.00 1.00 H new ATOM 0 HG12 ILE A 9 4.506 0.968 -3.007 1.00 1.00 H new ATOM 0 HG13 ILE A 9 5.997 0.914 -3.926 1.00 1.00 H new ATOM 0 HG21 ILE A 9 2.394 1.166 -5.005 1.00 1.00 H new ATOM 0 HG22 ILE A 9 2.300 -0.529 -5.541 1.00 1.00 H new ATOM 0 HG23 ILE A 9 2.489 -0.151 -3.812 1.00 1.00 H new ATOM 0 HD11 ILE A 9 5.134 3.236 -3.791 1.00 1.00 H new ATOM 0 HD12 ILE A 9 5.120 2.663 -5.475 1.00 1.00 H new ATOM 0 HD13 ILE A 9 3.606 2.717 -4.541 1.00 1.00 H new ATOM 158 N LEU A 10 2.886 -2.750 -4.995 1.00 1.00 N ATOM 159 CA LEU A 10 2.007 -3.689 -5.697 1.00 1.00 C ATOM 160 C LEU A 10 0.550 -3.302 -5.514 1.00 1.00 C ATOM 161 O LEU A 10 0.117 -2.974 -4.410 1.00 1.00 O ATOM 162 CB LEU A 10 2.222 -5.104 -5.157 1.00 1.00 C ATOM 163 CG LEU A 10 1.576 -6.169 -6.086 1.00 1.00 C ATOM 164 CD1 LEU A 10 2.455 -7.420 -6.076 1.00 1.00 C ATOM 165 CD2 LEU A 10 0.168 -6.555 -5.586 1.00 1.00 C ATOM 0 H LEU A 10 2.575 -2.499 -4.056 1.00 1.00 H new ATOM 0 HA LEU A 10 2.251 -3.656 -6.759 1.00 1.00 H new ATOM 0 HB2 LEU A 10 3.290 -5.301 -5.063 1.00 1.00 H new ATOM 0 HB3 LEU A 10 1.794 -5.183 -4.158 1.00 1.00 H new ATOM 0 HG LEU A 10 1.491 -5.755 -7.091 1.00 1.00 H new ATOM 0 HD11 LEU A 10 2.016 -8.179 -6.724 1.00 1.00 H new ATOM 0 HD12 LEU A 10 3.452 -7.167 -6.438 1.00 1.00 H new ATOM 0 HD13 LEU A 10 2.525 -7.807 -5.060 1.00 1.00 H new ATOM 0 HD21 LEU A 10 -0.263 -7.302 -6.253 1.00 1.00 H new ATOM 0 HD22 LEU A 10 0.240 -6.966 -4.579 1.00 1.00 H new ATOM 0 HD23 LEU A 10 -0.468 -5.670 -5.572 1.00 1.00 H new ATOM 177 N THR A 11 -0.211 -3.383 -6.598 1.00 1.00 N ATOM 178 CA THR A 11 -1.639 -3.082 -6.548 1.00 1.00 C ATOM 179 C THR A 11 -2.411 -4.393 -6.586 1.00 1.00 C ATOM 180 O THR A 11 -2.327 -5.139 -7.561 1.00 1.00 O ATOM 181 CB THR A 11 -2.043 -2.204 -7.736 1.00 1.00 C ATOM 182 OG1 THR A 11 -1.672 -2.843 -8.951 1.00 1.00 O ATOM 183 CG2 THR A 11 -1.348 -0.848 -7.621 1.00 1.00 C ATOM 0 H THR A 11 0.133 -3.653 -7.519 1.00 1.00 H new ATOM 0 HA THR A 11 -1.866 -2.539 -5.631 1.00 1.00 H new ATOM 0 HB THR A 11 -3.123 -2.055 -7.732 1.00 1.00 H new ATOM 0 HG1 THR A 11 -1.762 -3.814 -8.851 1.00 1.00 H new ATOM 0 HG21 THR A 11 -1.633 -0.220 -8.465 1.00 1.00 H new ATOM 0 HG22 THR A 11 -1.647 -0.364 -6.691 1.00 1.00 H new ATOM 0 HG23 THR A 11 -0.267 -0.992 -7.624 1.00 1.00 H new ATOM 191 N LEU A 12 -3.131 -4.689 -5.509 1.00 1.00 N ATOM 192 CA LEU A 12 -3.879 -5.937 -5.425 1.00 1.00 C ATOM 193 C LEU A 12 -5.222 -5.824 -6.138 1.00 1.00 C ATOM 194 O LEU A 12 -5.394 -6.337 -7.242 1.00 1.00 O ATOM 195 CB LEU A 12 -4.109 -6.284 -3.951 1.00 1.00 C ATOM 196 CG LEU A 12 -4.761 -7.668 -3.819 1.00 1.00 C ATOM 197 CD1 LEU A 12 -3.818 -8.760 -4.373 1.00 1.00 C ATOM 198 CD2 LEU A 12 -5.064 -7.933 -2.337 1.00 1.00 C ATOM 0 H LEU A 12 -3.212 -4.087 -4.689 1.00 1.00 H new ATOM 0 HA LEU A 12 -3.301 -6.722 -5.913 1.00 1.00 H new ATOM 0 HB2 LEU A 12 -3.160 -6.270 -3.416 1.00 1.00 H new ATOM 0 HB3 LEU A 12 -4.746 -5.530 -3.489 1.00 1.00 H new ATOM 0 HG LEU A 12 -5.686 -7.693 -4.394 1.00 1.00 H new ATOM 0 HD11 LEU A 12 -4.293 -9.736 -4.273 1.00 1.00 H new ATOM 0 HD12 LEU A 12 -3.612 -8.563 -5.425 1.00 1.00 H new ATOM 0 HD13 LEU A 12 -2.883 -8.752 -3.812 1.00 1.00 H new ATOM 0 HD21 LEU A 12 -5.528 -8.914 -2.230 1.00 1.00 H new ATOM 0 HD22 LEU A 12 -4.136 -7.906 -1.765 1.00 1.00 H new ATOM 0 HD23 LEU A 12 -5.743 -7.168 -1.962 1.00 1.00 H new ATOM 210 N GLY A 13 -6.179 -5.166 -5.485 1.00 1.00 N ATOM 211 CA GLY A 13 -7.517 -5.011 -6.055 1.00 1.00 C ATOM 212 C GLY A 13 -7.684 -3.669 -6.761 1.00 1.00 C ATOM 213 O GLY A 13 -6.719 -3.064 -7.230 1.00 1.00 O ATOM 0 H GLY A 13 -6.055 -4.735 -4.569 1.00 1.00 H new ATOM 0 HA2 GLY A 13 -7.706 -5.819 -6.762 1.00 1.00 H new ATOM 0 HA3 GLY A 13 -8.261 -5.100 -5.263 1.00 1.00 H new ATOM 217 N LYS A 14 -8.931 -3.221 -6.826 1.00 1.00 N ATOM 218 CA LYS A 14 -9.260 -1.955 -7.472 1.00 1.00 C ATOM 219 C LYS A 14 -8.471 -0.803 -6.859 1.00 1.00 C ATOM 220 O LYS A 14 -8.146 -0.812 -5.671 1.00 1.00 O ATOM 221 CB LYS A 14 -10.759 -1.686 -7.356 1.00 1.00 C ATOM 222 CG LYS A 14 -11.102 -0.423 -8.150 1.00 1.00 C ATOM 223 CD LYS A 14 -12.609 -0.182 -8.119 1.00 1.00 C ATOM 224 CE LYS A 14 -12.918 1.081 -8.920 1.00 1.00 C ATOM 225 NZ LYS A 14 -12.439 0.896 -10.319 1.00 1.00 N ATOM 0 H LYS A 14 -9.734 -3.716 -6.438 1.00 1.00 H new ATOM 0 HA LYS A 14 -8.987 -2.028 -8.525 1.00 1.00 H new ATOM 0 HB2 LYS A 14 -11.325 -2.536 -7.738 1.00 1.00 H new ATOM 0 HB3 LYS A 14 -11.039 -1.561 -6.310 1.00 1.00 H new ATOM 0 HG2 LYS A 14 -10.579 0.435 -7.728 1.00 1.00 H new ATOM 0 HG3 LYS A 14 -10.763 -0.528 -9.181 1.00 1.00 H new ATOM 0 HD2 LYS A 14 -13.137 -1.037 -8.542 1.00 1.00 H new ATOM 0 HD3 LYS A 14 -12.953 -0.071 -7.091 1.00 1.00 H new ATOM 0 HE2 LYS A 14 -13.990 1.279 -8.912 1.00 1.00 H new ATOM 0 HE3 LYS A 14 -12.431 1.944 -8.466 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 -12.949 1.547 -10.949 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 -11.419 1.096 -10.366 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 -12.614 -0.084 -10.619 1.00 1.00 H new ATOM 239 N LEU A 15 -8.151 0.183 -7.699 1.00 1.00 N ATOM 240 CA LEU A 15 -7.373 1.354 -7.272 1.00 1.00 C ATOM 241 C LEU A 15 -8.261 2.591 -7.176 1.00 1.00 C ATOM 242 O LEU A 15 -8.977 2.932 -8.115 1.00 1.00 O ATOM 243 CB LEU A 15 -6.244 1.599 -8.277 1.00 1.00 C ATOM 244 CG LEU A 15 -5.339 2.751 -7.816 1.00 1.00 C ATOM 245 CD1 LEU A 15 -4.645 2.406 -6.490 1.00 1.00 C ATOM 246 CD2 LEU A 15 -4.286 3.006 -8.900 1.00 1.00 C ATOM 0 H LEU A 15 -8.418 0.196 -8.683 1.00 1.00 H new ATOM 0 HA LEU A 15 -6.955 1.160 -6.284 1.00 1.00 H new ATOM 0 HB2 LEU A 15 -5.652 0.691 -8.394 1.00 1.00 H new ATOM 0 HB3 LEU A 15 -6.666 1.832 -9.254 1.00 1.00 H new ATOM 0 HG LEU A 15 -5.945 3.643 -7.657 1.00 1.00 H new ATOM 0 HD11 LEU A 15 -4.010 3.238 -6.185 1.00 1.00 H new ATOM 0 HD12 LEU A 15 -5.397 2.223 -5.723 1.00 1.00 H new ATOM 0 HD13 LEU A 15 -4.035 1.512 -6.620 1.00 1.00 H new ATOM 0 HD21 LEU A 15 -3.634 3.822 -8.589 1.00 1.00 H new ATOM 0 HD22 LEU A 15 -3.692 2.104 -9.050 1.00 1.00 H new ATOM 0 HD23 LEU A 15 -4.782 3.273 -9.833 1.00 1.00 H new ATOM 258 N SER A 16 -8.214 3.249 -6.021 1.00 1.00 N ATOM 259 CA SER A 16 -9.019 4.447 -5.796 1.00 1.00 C ATOM 260 C SER A 16 -8.621 5.549 -6.773 1.00 1.00 C ATOM 261 O SER A 16 -9.473 6.223 -7.351 1.00 1.00 O ATOM 262 CB SER A 16 -8.830 4.941 -4.363 1.00 1.00 C ATOM 263 OG SER A 16 -9.159 3.897 -3.455 1.00 1.00 O ATOM 0 H SER A 16 -7.631 2.975 -5.230 1.00 1.00 H new ATOM 0 HA SER A 16 -10.067 4.194 -5.957 1.00 1.00 H new ATOM 0 HB2 SER A 16 -7.799 5.259 -4.210 1.00 1.00 H new ATOM 0 HB3 SER A 16 -9.462 5.810 -4.180 1.00 1.00 H new ATOM 0 HG SER A 16 -9.036 4.213 -2.535 1.00 1.00 H new ATOM 269 N GLN A 17 -7.310 5.714 -6.946 1.00 1.00 N ATOM 270 CA GLN A 17 -6.761 6.722 -7.845 1.00 1.00 C ATOM 271 C GLN A 17 -7.066 6.357 -9.291 1.00 1.00 C ATOM 272 O GLN A 17 -7.514 5.249 -9.583 1.00 1.00 O ATOM 273 CB GLN A 17 -5.238 6.797 -7.629 1.00 1.00 C ATOM 274 CG GLN A 17 -4.911 7.735 -6.446 1.00 1.00 C ATOM 275 CD GLN A 17 -3.667 7.253 -5.702 1.00 1.00 C ATOM 276 OE1 GLN A 17 -3.731 7.066 -4.412 1.00 1.00 O flip ATOM 277 NE2 GLN A 17 -2.620 7.030 -6.309 1.00 1.00 N flip ATOM 0 H GLN A 17 -6.604 5.154 -6.468 1.00 1.00 H new ATOM 0 HA GLN A 17 -7.213 7.691 -7.633 1.00 1.00 H new ATOM 0 HB2 GLN A 17 -4.842 5.801 -7.432 1.00 1.00 H new ATOM 0 HB3 GLN A 17 -4.753 7.160 -8.535 1.00 1.00 H new ATOM 0 HG2 GLN A 17 -4.751 8.749 -6.813 1.00 1.00 H new ATOM 0 HG3 GLN A 17 -5.758 7.774 -5.761 1.00 1.00 H new ATOM 0 HE21 GLN A 17 -2.574 7.177 -7.317 1.00 1.00 H new ATOM 0 HE22 GLN A 17 -1.798 6.698 -5.804 1.00 1.00 H new ATOM 286 N ASN A 18 -6.803 7.288 -10.201 1.00 1.00 N ATOM 287 CA ASN A 18 -7.048 7.024 -11.606 1.00 1.00 C ATOM 288 C ASN A 18 -5.938 6.138 -12.156 1.00 1.00 C ATOM 289 O ASN A 18 -5.407 5.286 -11.443 1.00 1.00 O ATOM 290 CB ASN A 18 -7.108 8.330 -12.396 1.00 1.00 C ATOM 291 CG ASN A 18 -8.180 9.243 -11.817 1.00 1.00 C ATOM 292 OD1 ASN A 18 -7.828 10.385 -11.294 1.00 1.00 O flip ATOM 293 ND2 ASN A 18 -9.362 8.898 -11.827 1.00 1.00 N flip ATOM 0 H ASN A 18 -6.428 8.213 -9.993 1.00 1.00 H new ATOM 0 HA ASN A 18 -8.007 6.516 -11.707 1.00 1.00 H new ATOM 0 HB2 ASN A 18 -6.139 8.828 -12.364 1.00 1.00 H new ATOM 0 HB3 ASN A 18 -7.325 8.121 -13.444 1.00 1.00 H new ATOM 0 HD21 ASN A 18 -9.629 8.003 -12.238 1.00 1.00 H new ATOM 0 HD22 ASN A 18 -10.074 9.507 -11.424 1.00 1.00 H new ATOM 300 N LYS A 19 -5.601 6.319 -13.430 1.00 1.00 N ATOM 301 CA LYS A 19 -4.556 5.508 -14.063 1.00 1.00 C ATOM 302 C LYS A 19 -3.280 6.322 -14.238 1.00 1.00 C ATOM 303 O LYS A 19 -2.218 5.944 -13.745 1.00 1.00 O ATOM 304 CB LYS A 19 -5.089 5.026 -15.434 1.00 1.00 C ATOM 305 CG LYS A 19 -4.504 3.657 -15.828 1.00 1.00 C ATOM 306 CD LYS A 19 -3.057 3.793 -16.322 1.00 1.00 C ATOM 307 CE LYS A 19 -2.992 4.598 -17.633 1.00 1.00 C ATOM 308 NZ LYS A 19 -1.788 4.188 -18.407 1.00 1.00 N ATOM 0 H LYS A 19 -6.030 7.013 -14.043 1.00 1.00 H new ATOM 0 HA LYS A 19 -4.314 4.651 -13.435 1.00 1.00 H new ATOM 0 HB2 LYS A 19 -6.176 4.959 -15.398 1.00 1.00 H new ATOM 0 HB3 LYS A 19 -4.840 5.761 -16.199 1.00 1.00 H new ATOM 0 HG2 LYS A 19 -4.537 2.984 -14.971 1.00 1.00 H new ATOM 0 HG3 LYS A 19 -5.117 3.208 -16.609 1.00 1.00 H new ATOM 0 HD2 LYS A 19 -2.454 4.285 -15.559 1.00 1.00 H new ATOM 0 HD3 LYS A 19 -2.628 2.803 -16.478 1.00 1.00 H new ATOM 0 HE2 LYS A 19 -3.893 4.427 -18.223 1.00 1.00 H new ATOM 0 HE3 LYS A 19 -2.952 5.665 -17.415 1.00 1.00 H new ATOM 0 HZ1 LYS A 19 -1.847 4.573 -19.371 1.00 1.00 H new ATOM 0 HZ2 LYS A 19 -0.934 4.554 -17.940 1.00 1.00 H new ATOM 0 HZ3 LYS A 19 -1.741 3.150 -18.451 1.00 1.00 H new ATOM 322 N ASP A 20 -3.391 7.421 -14.963 1.00 1.00 N ATOM 323 CA ASP A 20 -2.251 8.281 -15.219 1.00 1.00 C ATOM 324 C ASP A 20 -1.798 8.989 -13.942 1.00 1.00 C ATOM 325 O ASP A 20 -0.606 9.227 -13.740 1.00 1.00 O ATOM 326 CB ASP A 20 -2.637 9.314 -16.295 1.00 1.00 C ATOM 327 CG ASP A 20 -2.450 8.742 -17.708 1.00 1.00 C ATOM 328 OD1 ASP A 20 -1.712 7.781 -17.850 1.00 1.00 O ATOM 329 OD2 ASP A 20 -3.042 9.282 -18.626 1.00 1.00 O ATOM 0 H ASP A 20 -4.263 7.739 -15.386 1.00 1.00 H new ATOM 0 HA ASP A 20 -1.418 7.672 -15.572 1.00 1.00 H new ATOM 0 HB2 ASP A 20 -3.675 9.616 -16.157 1.00 1.00 H new ATOM 0 HB3 ASP A 20 -2.026 10.209 -16.179 1.00 1.00 H new ATOM 334 N GLU A 21 -2.759 9.366 -13.109 1.00 1.00 N ATOM 335 CA GLU A 21 -2.445 10.095 -11.881 1.00 1.00 C ATOM 336 C GLU A 21 -1.740 9.217 -10.853 1.00 1.00 C ATOM 337 O GLU A 21 -0.745 9.636 -10.259 1.00 1.00 O ATOM 338 CB GLU A 21 -3.714 10.689 -11.266 1.00 1.00 C ATOM 339 CG GLU A 21 -4.263 11.774 -12.196 1.00 1.00 C ATOM 340 CD GLU A 21 -5.530 12.384 -11.602 1.00 1.00 C ATOM 341 OE1 GLU A 21 -5.871 12.023 -10.488 1.00 1.00 O ATOM 342 OE2 GLU A 21 -6.142 13.198 -12.274 1.00 1.00 O ATOM 0 H GLU A 21 -3.752 9.183 -13.256 1.00 1.00 H new ATOM 0 HA GLU A 21 -1.763 10.899 -12.158 1.00 1.00 H new ATOM 0 HB2 GLU A 21 -4.460 9.909 -11.117 1.00 1.00 H new ATOM 0 HB3 GLU A 21 -3.494 11.111 -10.285 1.00 1.00 H new ATOM 0 HG2 GLU A 21 -3.512 12.550 -12.345 1.00 1.00 H new ATOM 0 HG3 GLU A 21 -4.480 11.348 -13.176 1.00 1.00 H new ATOM 349 N ALA A 22 -2.242 8.008 -10.637 1.00 1.00 N ATOM 350 CA ALA A 22 -1.614 7.125 -9.663 1.00 1.00 C ATOM 351 C ALA A 22 -0.176 6.836 -10.083 1.00 1.00 C ATOM 352 O ALA A 22 0.745 6.911 -9.274 1.00 1.00 O ATOM 353 CB ALA A 22 -2.422 5.817 -9.545 1.00 1.00 C ATOM 0 H ALA A 22 -3.060 7.624 -11.109 1.00 1.00 H new ATOM 0 HA ALA A 22 -1.600 7.611 -8.687 1.00 1.00 H new ATOM 0 HB1 ALA A 22 -1.948 5.161 -8.815 1.00 1.00 H new ATOM 0 HB2 ALA A 22 -3.438 6.045 -9.222 1.00 1.00 H new ATOM 0 HB3 ALA A 22 -2.453 5.320 -10.514 1.00 1.00 H new ATOM 359 N LYS A 23 -0.002 6.516 -11.359 1.00 1.00 N ATOM 360 CA LYS A 23 1.322 6.226 -11.888 1.00 1.00 C ATOM 361 C LYS A 23 2.229 7.441 -11.794 1.00 1.00 C ATOM 362 O LYS A 23 3.394 7.325 -11.419 1.00 1.00 O ATOM 363 CB LYS A 23 1.199 5.811 -13.348 1.00 1.00 C ATOM 364 CG LYS A 23 0.535 4.443 -13.435 1.00 1.00 C ATOM 365 CD LYS A 23 0.391 4.066 -14.902 1.00 1.00 C ATOM 366 CE LYS A 23 -0.218 2.665 -15.014 1.00 1.00 C ATOM 367 NZ LYS A 23 -0.323 2.278 -16.450 1.00 1.00 N ATOM 0 H LYS A 23 -0.757 6.451 -12.042 1.00 1.00 H new ATOM 0 HA LYS A 23 1.758 5.421 -11.297 1.00 1.00 H new ATOM 0 HB2 LYS A 23 0.612 6.547 -13.898 1.00 1.00 H new ATOM 0 HB3 LYS A 23 2.185 5.778 -13.812 1.00 1.00 H new ATOM 0 HG2 LYS A 23 1.133 3.698 -12.910 1.00 1.00 H new ATOM 0 HG3 LYS A 23 -0.442 4.465 -12.952 1.00 1.00 H new ATOM 0 HD2 LYS A 23 -0.242 4.791 -15.414 1.00 1.00 H new ATOM 0 HD3 LYS A 23 1.364 4.091 -15.392 1.00 1.00 H new ATOM 0 HE2 LYS A 23 0.400 1.945 -14.477 1.00 1.00 H new ATOM 0 HE3 LYS A 23 -1.204 2.648 -14.549 1.00 1.00 H new ATOM 0 HZ1 LYS A 23 -1.294 1.968 -16.656 1.00 1.00 H new ATOM 0 HZ2 LYS A 23 -0.087 3.095 -17.048 1.00 1.00 H new ATOM 0 HZ3 LYS A 23 0.338 1.501 -16.649 1.00 1.00 H new ATOM 381 N ALA A 24 1.689 8.603 -12.143 1.00 1.00 N ATOM 382 CA ALA A 24 2.474 9.824 -12.097 1.00 1.00 C ATOM 383 C ALA A 24 2.914 10.125 -10.674 1.00 1.00 C ATOM 384 O ALA A 24 4.071 10.470 -10.436 1.00 1.00 O ATOM 385 CB ALA A 24 1.649 10.998 -12.629 1.00 1.00 C ATOM 0 H ALA A 24 0.726 8.722 -12.456 1.00 1.00 H new ATOM 0 HA ALA A 24 3.357 9.685 -12.720 1.00 1.00 H new ATOM 0 HB1 ALA A 24 2.246 11.909 -12.591 1.00 1.00 H new ATOM 0 HB2 ALA A 24 1.356 10.799 -13.660 1.00 1.00 H new ATOM 0 HB3 ALA A 24 0.756 11.123 -12.016 1.00 1.00 H new ATOM 391 N MET A 25 1.986 9.987 -9.729 1.00 1.00 N ATOM 392 CA MET A 25 2.292 10.243 -8.331 1.00 1.00 C ATOM 393 C MET A 25 3.245 9.192 -7.764 1.00 1.00 C ATOM 394 O MET A 25 4.162 9.530 -7.033 1.00 1.00 O ATOM 395 CB MET A 25 0.967 10.382 -7.519 1.00 1.00 C ATOM 396 CG MET A 25 0.783 9.285 -6.451 1.00 1.00 C ATOM 397 SD MET A 25 -0.672 9.687 -5.448 1.00 1.00 S ATOM 398 CE MET A 25 0.059 11.021 -4.462 1.00 1.00 C ATOM 0 H MET A 25 1.023 9.701 -9.908 1.00 1.00 H new ATOM 0 HA MET A 25 2.825 11.190 -8.245 1.00 1.00 H new ATOM 0 HB2 MET A 25 0.948 11.358 -7.033 1.00 1.00 H new ATOM 0 HB3 MET A 25 0.123 10.353 -8.208 1.00 1.00 H new ATOM 0 HG2 MET A 25 0.657 8.312 -6.927 1.00 1.00 H new ATOM 0 HG3 MET A 25 1.670 9.219 -5.821 1.00 1.00 H new ATOM 0 HE1 MET A 25 -0.200 10.881 -3.412 1.00 1.00 H new ATOM 0 HE2 MET A 25 1.143 11.004 -4.574 1.00 1.00 H new ATOM 0 HE3 MET A 25 -0.326 11.981 -4.806 1.00 1.00 H new ATOM 408 N ILE A 26 3.028 7.926 -8.096 1.00 1.00 N ATOM 409 CA ILE A 26 3.888 6.866 -7.584 1.00 1.00 C ATOM 410 C ILE A 26 5.333 7.012 -8.067 1.00 1.00 C ATOM 411 O ILE A 26 6.270 6.854 -7.284 1.00 1.00 O ATOM 412 CB ILE A 26 3.313 5.517 -8.017 1.00 1.00 C ATOM 413 CG1 ILE A 26 2.011 5.255 -7.245 1.00 1.00 C ATOM 414 CG2 ILE A 26 4.315 4.392 -7.733 1.00 1.00 C ATOM 415 CD1 ILE A 26 1.219 4.179 -7.969 1.00 1.00 C ATOM 0 H ILE A 26 2.276 7.610 -8.708 1.00 1.00 H new ATOM 0 HA ILE A 26 3.913 6.934 -6.496 1.00 1.00 H new ATOM 0 HB ILE A 26 3.112 5.541 -9.088 1.00 1.00 H new ATOM 0 HG12 ILE A 26 2.234 4.938 -6.226 1.00 1.00 H new ATOM 0 HG13 ILE A 26 1.424 6.171 -7.173 1.00 1.00 H new ATOM 0 HG21 ILE A 26 3.890 3.439 -8.047 1.00 1.00 H new ATOM 0 HG22 ILE A 26 5.237 4.578 -8.284 1.00 1.00 H new ATOM 0 HG23 ILE A 26 4.532 4.359 -6.665 1.00 1.00 H new ATOM 0 HD11 ILE A 26 0.292 3.985 -7.430 1.00 1.00 H new ATOM 0 HD12 ILE A 26 0.987 4.516 -8.979 1.00 1.00 H new ATOM 0 HD13 ILE A 26 1.809 3.264 -8.018 1.00 1.00 H new ATOM 427 N GLU A 27 5.514 7.303 -9.347 1.00 1.00 N ATOM 428 CA GLU A 27 6.861 7.446 -9.889 1.00 1.00 C ATOM 429 C GLU A 27 7.553 8.717 -9.396 1.00 1.00 C ATOM 430 O GLU A 27 8.772 8.732 -9.226 1.00 1.00 O ATOM 431 CB GLU A 27 6.829 7.403 -11.416 1.00 1.00 C ATOM 432 CG GLU A 27 6.446 5.985 -11.851 1.00 1.00 C ATOM 433 CD GLU A 27 6.347 5.898 -13.370 1.00 1.00 C ATOM 434 OE1 GLU A 27 6.522 6.917 -14.018 1.00 1.00 O ATOM 435 OE2 GLU A 27 6.084 4.813 -13.862 1.00 1.00 O ATOM 0 H GLU A 27 4.761 7.443 -10.021 1.00 1.00 H new ATOM 0 HA GLU A 27 7.448 6.603 -9.524 1.00 1.00 H new ATOM 0 HB2 GLU A 27 6.109 8.125 -11.801 1.00 1.00 H new ATOM 0 HB3 GLU A 27 7.803 7.675 -11.824 1.00 1.00 H new ATOM 0 HG2 GLU A 27 7.189 5.274 -11.488 1.00 1.00 H new ATOM 0 HG3 GLU A 27 5.492 5.706 -11.402 1.00 1.00 H new ATOM 442 N LYS A 28 6.784 9.782 -9.188 1.00 1.00 N ATOM 443 CA LYS A 28 7.358 11.049 -8.731 1.00 1.00 C ATOM 444 C LYS A 28 8.054 10.896 -7.382 1.00 1.00 C ATOM 445 O LYS A 28 9.162 11.400 -7.196 1.00 1.00 O ATOM 446 CB LYS A 28 6.265 12.119 -8.649 1.00 1.00 C ATOM 447 CG LYS A 28 6.898 13.515 -8.625 1.00 1.00 C ATOM 448 CD LYS A 28 5.810 14.588 -8.753 1.00 1.00 C ATOM 449 CE LYS A 28 4.988 14.681 -7.464 1.00 1.00 C ATOM 450 NZ LYS A 28 4.137 15.903 -7.519 1.00 1.00 N ATOM 0 H LYS A 28 5.773 9.797 -9.326 1.00 1.00 H new ATOM 0 HA LYS A 28 8.111 11.359 -9.456 1.00 1.00 H new ATOM 0 HB2 LYS A 28 5.593 12.030 -9.503 1.00 1.00 H new ATOM 0 HB3 LYS A 28 5.663 11.968 -7.753 1.00 1.00 H new ATOM 0 HG2 LYS A 28 7.452 13.656 -7.697 1.00 1.00 H new ATOM 0 HG3 LYS A 28 7.614 13.612 -9.441 1.00 1.00 H new ATOM 0 HD2 LYS A 28 6.268 15.553 -8.969 1.00 1.00 H new ATOM 0 HD3 LYS A 28 5.155 14.351 -9.592 1.00 1.00 H new ATOM 0 HE2 LYS A 28 4.366 13.794 -7.349 1.00 1.00 H new ATOM 0 HE3 LYS A 28 5.649 14.721 -6.598 1.00 1.00 H new ATOM 0 HZ1 LYS A 28 3.575 15.974 -6.647 1.00 1.00 H new ATOM 0 HZ2 LYS A 28 4.742 16.744 -7.610 1.00 1.00 H new ATOM 0 HZ3 LYS A 28 3.499 15.845 -8.338 1.00 1.00 H new ATOM 464 N LEU A 29 7.433 10.187 -6.449 1.00 1.00 N ATOM 465 CA LEU A 29 8.067 9.981 -5.152 1.00 1.00 C ATOM 466 C LEU A 29 9.342 9.188 -5.335 1.00 1.00 C ATOM 467 O LEU A 29 10.371 9.441 -4.706 1.00 1.00 O ATOM 468 CB LEU A 29 7.160 9.156 -4.239 1.00 1.00 C ATOM 469 CG LEU A 29 5.775 9.767 -4.192 1.00 1.00 C ATOM 470 CD1 LEU A 29 4.859 8.927 -3.295 1.00 1.00 C ATOM 471 CD2 LEU A 29 5.851 11.204 -3.668 1.00 1.00 C ATOM 0 H LEU A 29 6.516 9.755 -6.559 1.00 1.00 H new ATOM 0 HA LEU A 29 8.263 10.960 -4.714 1.00 1.00 H new ATOM 0 HB2 LEU A 29 7.101 8.130 -4.602 1.00 1.00 H new ATOM 0 HB3 LEU A 29 7.582 9.115 -3.235 1.00 1.00 H new ATOM 0 HG LEU A 29 5.363 9.782 -5.201 1.00 1.00 H new ATOM 0 HD11 LEU A 29 3.866 9.375 -3.268 1.00 1.00 H new ATOM 0 HD12 LEU A 29 4.790 7.914 -3.692 1.00 1.00 H new ATOM 0 HD13 LEU A 29 5.269 8.893 -2.286 1.00 1.00 H new ATOM 0 HD21 LEU A 29 4.850 11.634 -3.638 1.00 1.00 H new ATOM 0 HD22 LEU A 29 6.276 11.203 -2.664 1.00 1.00 H new ATOM 0 HD23 LEU A 29 6.482 11.799 -4.328 1.00 1.00 H new ATOM 483 N GLY A 30 9.222 8.196 -6.192 1.00 1.00 N ATOM 484 CA GLY A 30 10.300 7.274 -6.487 1.00 1.00 C ATOM 485 C GLY A 30 9.730 5.871 -6.476 1.00 1.00 C ATOM 486 O GLY A 30 10.401 4.906 -6.839 1.00 1.00 O ATOM 0 H GLY A 30 8.364 8.005 -6.709 1.00 1.00 H new ATOM 0 HA2 GLY A 30 10.739 7.499 -7.459 1.00 1.00 H new ATOM 0 HA3 GLY A 30 11.095 7.368 -5.748 1.00 1.00 H new ATOM 490 N GLY A 31 8.463 5.779 -6.057 1.00 1.00 N ATOM 491 CA GLY A 31 7.784 4.491 -6.001 1.00 1.00 C ATOM 492 C GLY A 31 7.720 3.843 -7.385 1.00 1.00 C ATOM 493 O GLY A 31 7.660 4.534 -8.403 1.00 1.00 O ATOM 0 H GLY A 31 7.898 6.573 -5.756 1.00 1.00 H new ATOM 0 HA2 GLY A 31 8.307 3.830 -5.310 1.00 1.00 H new ATOM 0 HA3 GLY A 31 6.775 4.625 -5.611 1.00 1.00 H new ATOM 497 N LYS A 32 7.739 2.507 -7.407 1.00 1.00 N ATOM 498 CA LYS A 32 7.694 1.739 -8.656 1.00 1.00 C ATOM 499 C LYS A 32 6.658 0.618 -8.557 1.00 1.00 C ATOM 500 O LYS A 32 6.387 0.103 -7.473 1.00 1.00 O ATOM 501 CB LYS A 32 9.063 1.116 -8.933 1.00 1.00 C ATOM 502 CG LYS A 32 10.087 2.218 -9.217 1.00 1.00 C ATOM 503 CD LYS A 32 11.490 1.613 -9.355 1.00 1.00 C ATOM 504 CE LYS A 32 11.582 0.762 -10.627 1.00 1.00 C ATOM 505 NZ LYS A 32 13.014 0.494 -10.942 1.00 1.00 N ATOM 0 H LYS A 32 7.786 1.931 -6.567 1.00 1.00 H new ATOM 0 HA LYS A 32 7.421 2.417 -9.464 1.00 1.00 H new ATOM 0 HB2 LYS A 32 9.382 0.522 -8.077 1.00 1.00 H new ATOM 0 HB3 LYS A 32 8.999 0.439 -9.784 1.00 1.00 H new ATOM 0 HG2 LYS A 32 9.819 2.747 -10.132 1.00 1.00 H new ATOM 0 HG3 LYS A 32 10.077 2.951 -8.410 1.00 1.00 H new ATOM 0 HD2 LYS A 32 12.234 2.408 -9.387 1.00 1.00 H new ATOM 0 HD3 LYS A 32 11.716 1.000 -8.483 1.00 1.00 H new ATOM 0 HE2 LYS A 32 11.047 -0.177 -10.489 1.00 1.00 H new ATOM 0 HE3 LYS A 32 11.106 1.280 -11.459 1.00 1.00 H new ATOM 0 HZ1 LYS A 32 13.078 -0.083 -11.805 1.00 1.00 H new ATOM 0 HZ2 LYS A 32 13.511 1.395 -11.091 1.00 1.00 H new ATOM 0 HZ3 LYS A 32 13.454 -0.017 -10.150 1.00 1.00 H new ATOM 519 N LEU A 33 6.085 0.233 -9.699 1.00 1.00 N ATOM 520 CA LEU A 33 5.086 -0.845 -9.725 1.00 1.00 C ATOM 521 C LEU A 33 5.706 -2.132 -10.276 1.00 1.00 C ATOM 522 O LEU A 33 6.172 -2.159 -11.414 1.00 1.00 O ATOM 523 CB LEU A 33 3.912 -0.434 -10.619 1.00 1.00 C ATOM 524 CG LEU A 33 3.204 0.789 -10.021 1.00 1.00 C ATOM 525 CD1 LEU A 33 2.159 1.305 -11.019 1.00 1.00 C ATOM 526 CD2 LEU A 33 2.512 0.409 -8.692 1.00 1.00 C ATOM 0 H LEU A 33 6.290 0.644 -10.610 1.00 1.00 H new ATOM 0 HA LEU A 33 4.736 -1.022 -8.708 1.00 1.00 H new ATOM 0 HB2 LEU A 33 4.271 -0.203 -11.622 1.00 1.00 H new ATOM 0 HB3 LEU A 33 3.209 -1.262 -10.714 1.00 1.00 H new ATOM 0 HG LEU A 33 3.940 1.568 -9.822 1.00 1.00 H new ATOM 0 HD11 LEU A 33 1.653 2.174 -10.599 1.00 1.00 H new ATOM 0 HD12 LEU A 33 2.652 1.587 -11.949 1.00 1.00 H new ATOM 0 HD13 LEU A 33 1.428 0.521 -11.219 1.00 1.00 H new ATOM 0 HD21 LEU A 33 2.013 1.285 -8.278 1.00 1.00 H new ATOM 0 HD22 LEU A 33 1.776 -0.374 -8.876 1.00 1.00 H new ATOM 0 HD23 LEU A 33 3.258 0.047 -7.984 1.00 1.00 H new ATOM 538 N THR A 34 5.704 -3.192 -9.459 1.00 1.00 N ATOM 539 CA THR A 34 6.268 -4.489 -9.863 1.00 1.00 C ATOM 540 C THR A 34 6.270 -5.473 -8.689 1.00 1.00 C ATOM 541 O THR A 34 5.967 -5.101 -7.556 1.00 1.00 O ATOM 542 CB THR A 34 7.714 -4.329 -10.355 1.00 1.00 C ATOM 543 OG1 THR A 34 8.296 -5.616 -10.502 1.00 1.00 O ATOM 544 CG2 THR A 34 8.534 -3.521 -9.340 1.00 1.00 C ATOM 0 H THR A 34 5.319 -3.179 -8.515 1.00 1.00 H new ATOM 0 HA THR A 34 5.643 -4.873 -10.669 1.00 1.00 H new ATOM 0 HB THR A 34 7.711 -3.803 -11.310 1.00 1.00 H new ATOM 0 HG1 THR A 34 7.905 -6.065 -11.281 1.00 1.00 H new ATOM 0 HG21 THR A 34 9.557 -3.415 -9.701 1.00 1.00 H new ATOM 0 HG22 THR A 34 8.089 -2.534 -9.216 1.00 1.00 H new ATOM 0 HG23 THR A 34 8.539 -4.040 -8.381 1.00 1.00 H new ATOM 552 N GLY A 35 6.644 -6.727 -8.971 1.00 1.00 N ATOM 553 CA GLY A 35 6.727 -7.770 -7.940 1.00 1.00 C ATOM 554 C GLY A 35 5.545 -8.737 -7.995 1.00 1.00 C ATOM 555 O GLY A 35 4.406 -8.332 -8.222 1.00 1.00 O ATOM 0 H GLY A 35 6.895 -7.045 -9.907 1.00 1.00 H new ATOM 0 HA2 GLY A 35 7.655 -8.327 -8.065 1.00 1.00 H new ATOM 0 HA3 GLY A 35 6.765 -7.303 -6.956 1.00 1.00 H new ATOM 559 N SER A 36 5.824 -10.021 -7.759 1.00 1.00 N ATOM 560 CA SER A 36 4.772 -11.033 -7.753 1.00 1.00 C ATOM 561 C SER A 36 3.929 -10.910 -6.481 1.00 1.00 C ATOM 562 O SER A 36 2.703 -11.021 -6.517 1.00 1.00 O ATOM 563 CB SER A 36 5.391 -12.443 -7.845 1.00 1.00 C ATOM 564 OG SER A 36 5.133 -13.162 -6.643 1.00 1.00 O ATOM 0 H SER A 36 6.760 -10.379 -7.572 1.00 1.00 H new ATOM 0 HA SER A 36 4.128 -10.875 -8.618 1.00 1.00 H new ATOM 0 HB2 SER A 36 4.973 -12.979 -8.697 1.00 1.00 H new ATOM 0 HB3 SER A 36 6.466 -12.368 -8.012 1.00 1.00 H new ATOM 0 HG SER A 36 5.526 -14.057 -6.707 1.00 1.00 H new ATOM 570 N ALA A 37 4.610 -10.683 -5.360 1.00 1.00 N ATOM 571 CA ALA A 37 3.934 -10.547 -4.070 1.00 1.00 C ATOM 572 C ALA A 37 4.925 -10.092 -2.995 1.00 1.00 C ATOM 573 O ALA A 37 4.979 -8.910 -2.660 1.00 1.00 O ATOM 574 CB ALA A 37 3.282 -11.881 -3.675 1.00 1.00 C ATOM 0 H ALA A 37 5.625 -10.590 -5.318 1.00 1.00 H new ATOM 0 HA ALA A 37 3.154 -9.791 -4.158 1.00 1.00 H new ATOM 0 HB1 ALA A 37 2.781 -11.770 -2.713 1.00 1.00 H new ATOM 0 HB2 ALA A 37 2.553 -12.168 -4.433 1.00 1.00 H new ATOM 0 HB3 ALA A 37 4.049 -12.652 -3.598 1.00 1.00 H new ATOM 580 N ASN A 38 5.711 -11.027 -2.459 1.00 1.00 N ATOM 581 CA ASN A 38 6.690 -10.684 -1.422 1.00 1.00 C ATOM 582 C ASN A 38 7.750 -9.733 -1.961 1.00 1.00 C ATOM 583 O ASN A 38 8.314 -8.933 -1.216 1.00 1.00 O ATOM 584 CB ASN A 38 7.360 -11.933 -0.858 1.00 1.00 C ATOM 585 CG ASN A 38 8.368 -11.531 0.217 1.00 1.00 C ATOM 586 OD1 ASN A 38 9.572 -11.726 0.053 1.00 1.00 O ATOM 587 ND2 ASN A 38 7.930 -10.981 1.320 1.00 1.00 N ATOM 0 H ASN A 38 5.692 -12.013 -2.719 1.00 1.00 H new ATOM 0 HA ASN A 38 6.146 -10.187 -0.619 1.00 1.00 H new ATOM 0 HB2 ASN A 38 6.610 -12.602 -0.436 1.00 1.00 H new ATOM 0 HB3 ASN A 38 7.862 -12.481 -1.656 1.00 1.00 H new ATOM 0 HD21 ASN A 38 8.588 -10.711 2.051 1.00 1.00 H new ATOM 0 HD22 ASN A 38 6.931 -10.822 1.449 1.00 1.00 H new ATOM 594 N LYS A 39 8.021 -9.821 -3.256 1.00 1.00 N ATOM 595 CA LYS A 39 9.022 -8.960 -3.869 1.00 1.00 C ATOM 596 C LYS A 39 8.661 -7.504 -3.618 1.00 1.00 C ATOM 597 O LYS A 39 9.536 -6.663 -3.409 1.00 1.00 O ATOM 598 CB LYS A 39 9.100 -9.233 -5.366 1.00 1.00 C ATOM 599 CG LYS A 39 9.688 -10.628 -5.580 1.00 1.00 C ATOM 600 CD LYS A 39 9.713 -10.936 -7.071 1.00 1.00 C ATOM 601 CE LYS A 39 10.220 -12.362 -7.292 1.00 1.00 C ATOM 602 NZ LYS A 39 11.647 -12.456 -6.877 1.00 1.00 N ATOM 0 H LYS A 39 7.567 -10.473 -3.896 1.00 1.00 H new ATOM 0 HA LYS A 39 9.996 -9.168 -3.427 1.00 1.00 H new ATOM 0 HB2 LYS A 39 8.108 -9.168 -5.814 1.00 1.00 H new ATOM 0 HB3 LYS A 39 9.721 -8.482 -5.855 1.00 1.00 H new ATOM 0 HG2 LYS A 39 10.696 -10.678 -5.169 1.00 1.00 H new ATOM 0 HG3 LYS A 39 9.091 -11.372 -5.052 1.00 1.00 H new ATOM 0 HD2 LYS A 39 8.714 -10.825 -7.492 1.00 1.00 H new ATOM 0 HD3 LYS A 39 10.358 -10.226 -7.589 1.00 1.00 H new ATOM 0 HE2 LYS A 39 9.617 -13.066 -6.718 1.00 1.00 H new ATOM 0 HE3 LYS A 39 10.118 -12.636 -8.342 1.00 1.00 H new ATOM 0 HZ1 LYS A 39 12.066 -13.323 -7.269 1.00 1.00 H new ATOM 0 HZ2 LYS A 39 12.167 -11.629 -7.233 1.00 1.00 H new ATOM 0 HZ3 LYS A 39 11.706 -12.482 -5.839 1.00 1.00 H new ATOM 616 N ALA A 40 7.368 -7.216 -3.623 1.00 1.00 N ATOM 617 CA ALA A 40 6.902 -5.859 -3.365 1.00 1.00 C ATOM 618 C ALA A 40 7.129 -5.523 -1.897 1.00 1.00 C ATOM 619 O ALA A 40 7.313 -6.429 -1.081 1.00 1.00 O ATOM 620 CB ALA A 40 5.418 -5.754 -3.709 1.00 1.00 C ATOM 0 H ALA A 40 6.628 -7.895 -3.801 1.00 1.00 H new ATOM 0 HA ALA A 40 7.456 -5.153 -3.983 1.00 1.00 H new ATOM 0 HB1 ALA A 40 5.071 -4.739 -3.516 1.00 1.00 H new ATOM 0 HB2 ALA A 40 5.271 -5.994 -4.762 1.00 1.00 H new ATOM 0 HB3 ALA A 40 4.852 -6.454 -3.095 1.00 1.00 H new ATOM 626 N SER A 41 7.128 -4.235 -1.544 1.00 1.00 N ATOM 627 CA SER A 41 7.348 -3.859 -0.146 1.00 1.00 C ATOM 628 C SER A 41 6.013 -3.592 0.531 1.00 1.00 C ATOM 629 O SER A 41 5.644 -4.266 1.491 1.00 1.00 O ATOM 630 CB SER A 41 8.217 -2.612 -0.078 1.00 1.00 C ATOM 631 OG SER A 41 7.524 -1.559 -0.714 1.00 1.00 O ATOM 0 H SER A 41 6.982 -3.456 -2.186 1.00 1.00 H new ATOM 0 HA SER A 41 7.854 -4.676 0.368 1.00 1.00 H new ATOM 0 HB2 SER A 41 8.432 -2.354 0.959 1.00 1.00 H new ATOM 0 HB3 SER A 41 9.175 -2.788 -0.568 1.00 1.00 H new ATOM 0 HG SER A 41 7.576 -1.673 -1.686 1.00 1.00 H new ATOM 637 N LEU A 42 5.294 -2.599 0.015 1.00 1.00 N ATOM 638 CA LEU A 42 3.985 -2.232 0.551 1.00 1.00 C ATOM 639 C LEU A 42 2.941 -2.263 -0.557 1.00 1.00 C ATOM 640 O LEU A 42 3.014 -1.506 -1.525 1.00 1.00 O ATOM 641 CB LEU A 42 4.064 -0.838 1.160 1.00 1.00 C ATOM 642 CG LEU A 42 5.101 -0.830 2.294 1.00 1.00 C ATOM 643 CD1 LEU A 42 5.235 0.595 2.831 1.00 1.00 C ATOM 644 CD2 LEU A 42 4.661 -1.769 3.430 1.00 1.00 C ATOM 0 H LEU A 42 5.597 -2.032 -0.777 1.00 1.00 H new ATOM 0 HA LEU A 42 3.694 -2.946 1.322 1.00 1.00 H new ATOM 0 HB2 LEU A 42 4.340 -0.111 0.396 1.00 1.00 H new ATOM 0 HB3 LEU A 42 3.088 -0.542 1.544 1.00 1.00 H new ATOM 0 HG LEU A 42 6.059 -1.177 1.908 1.00 1.00 H new ATOM 0 HD11 LEU A 42 5.969 0.613 3.637 1.00 1.00 H new ATOM 0 HD12 LEU A 42 5.561 1.257 2.029 1.00 1.00 H new ATOM 0 HD13 LEU A 42 4.271 0.933 3.211 1.00 1.00 H new ATOM 0 HD21 LEU A 42 5.406 -1.752 4.225 1.00 1.00 H new ATOM 0 HD22 LEU A 42 3.701 -1.437 3.825 1.00 1.00 H new ATOM 0 HD23 LEU A 42 4.564 -2.784 3.046 1.00 1.00 H new ATOM 656 N CYS A 43 1.973 -3.153 -0.402 1.00 1.00 N ATOM 657 CA CYS A 43 0.905 -3.305 -1.388 1.00 1.00 C ATOM 658 C CYS A 43 -0.172 -2.255 -1.164 1.00 1.00 C ATOM 659 O CYS A 43 -0.328 -1.736 -0.059 1.00 1.00 O ATOM 660 CB CYS A 43 0.310 -4.718 -1.300 1.00 1.00 C ATOM 661 SG CYS A 43 -1.309 -4.773 -2.116 1.00 1.00 S ATOM 0 H CYS A 43 1.902 -3.783 0.397 1.00 1.00 H new ATOM 0 HA CYS A 43 1.319 -3.162 -2.386 1.00 1.00 H new ATOM 0 HB2 CYS A 43 0.985 -5.434 -1.769 1.00 1.00 H new ATOM 0 HB3 CYS A 43 0.208 -5.012 -0.255 1.00 1.00 H new ATOM 0 HG CYS A 43 -1.210 -5.432 -3.232 1.00 1.00 H new ATOM 667 N ILE A 44 -0.905 -1.930 -2.228 1.00 1.00 N ATOM 668 CA ILE A 44 -1.959 -0.924 -2.140 1.00 1.00 C ATOM 669 C ILE A 44 -3.320 -1.586 -2.024 1.00 1.00 C ATOM 670 O ILE A 44 -3.800 -2.225 -2.961 1.00 1.00 O ATOM 671 CB ILE A 44 -1.959 -0.047 -3.396 1.00 1.00 C ATOM 672 CG1 ILE A 44 -0.577 0.589 -3.601 1.00 1.00 C ATOM 673 CG2 ILE A 44 -3.021 1.045 -3.273 1.00 1.00 C ATOM 674 CD1 ILE A 44 -0.155 1.393 -2.367 1.00 1.00 C ATOM 0 H ILE A 44 -0.789 -2.345 -3.153 1.00 1.00 H new ATOM 0 HA ILE A 44 -1.767 -0.316 -1.256 1.00 1.00 H new ATOM 0 HB ILE A 44 -2.190 -0.673 -4.258 1.00 1.00 H new ATOM 0 HG12 ILE A 44 0.159 -0.189 -3.802 1.00 1.00 H new ATOM 0 HG13 ILE A 44 -0.598 1.241 -4.474 1.00 1.00 H new ATOM 0 HG21 ILE A 44 -3.013 1.663 -4.171 1.00 1.00 H new ATOM 0 HG22 ILE A 44 -4.003 0.586 -3.157 1.00 1.00 H new ATOM 0 HG23 ILE A 44 -2.806 1.666 -2.403 1.00 1.00 H new ATOM 0 HD11 ILE A 44 0.827 1.833 -2.538 1.00 1.00 H new ATOM 0 HD12 ILE A 44 -0.881 2.185 -2.183 1.00 1.00 H new ATOM 0 HD13 ILE A 44 -0.111 0.733 -1.500 1.00 1.00 H new ATOM 686 N SER A 45 -3.944 -1.405 -0.873 1.00 1.00 N ATOM 687 CA SER A 45 -5.269 -1.959 -0.626 1.00 1.00 C ATOM 688 C SER A 45 -5.952 -1.209 0.517 1.00 1.00 C ATOM 689 O SER A 45 -5.291 -0.552 1.319 1.00 1.00 O ATOM 690 CB SER A 45 -5.162 -3.443 -0.285 1.00 1.00 C ATOM 691 OG SER A 45 -4.873 -4.175 -1.469 1.00 1.00 O ATOM 0 H SER A 45 -3.555 -0.878 -0.091 1.00 1.00 H new ATOM 0 HA SER A 45 -5.869 -1.845 -1.529 1.00 1.00 H new ATOM 0 HB2 SER A 45 -4.379 -3.603 0.456 1.00 1.00 H new ATOM 0 HB3 SER A 45 -6.094 -3.795 0.156 1.00 1.00 H new ATOM 0 HG SER A 45 -4.756 -3.553 -2.218 1.00 1.00 H new ATOM 697 N THR A 46 -7.278 -1.305 0.579 1.00 1.00 N ATOM 698 CA THR A 46 -8.066 -0.635 1.620 1.00 1.00 C ATOM 699 C THR A 46 -8.893 -1.650 2.397 1.00 1.00 C ATOM 700 O THR A 46 -8.952 -2.820 2.034 1.00 1.00 O ATOM 701 CB THR A 46 -9.010 0.385 0.984 1.00 1.00 C ATOM 702 OG1 THR A 46 -10.027 -0.294 0.259 1.00 1.00 O ATOM 703 CG2 THR A 46 -8.223 1.285 0.039 1.00 1.00 C ATOM 0 H THR A 46 -7.836 -1.844 -0.083 1.00 1.00 H new ATOM 0 HA THR A 46 -7.377 -0.132 2.299 1.00 1.00 H new ATOM 0 HB THR A 46 -9.468 0.992 1.765 1.00 1.00 H new ATOM 0 HG1 THR A 46 -10.632 0.361 -0.147 1.00 1.00 H new ATOM 0 HG21 THR A 46 -8.896 2.013 -0.415 1.00 1.00 H new ATOM 0 HG22 THR A 46 -7.446 1.808 0.597 1.00 1.00 H new ATOM 0 HG23 THR A 46 -7.763 0.679 -0.742 1.00 1.00 H new ATOM 711 N LYS A 47 -9.539 -1.191 3.461 1.00 1.00 N ATOM 712 CA LYS A 47 -10.361 -2.064 4.280 1.00 1.00 C ATOM 713 C LYS A 47 -11.429 -2.720 3.416 1.00 1.00 C ATOM 714 O LYS A 47 -11.700 -3.915 3.535 1.00 1.00 O ATOM 715 CB LYS A 47 -11.018 -1.209 5.383 1.00 1.00 C ATOM 716 CG LYS A 47 -10.192 -1.264 6.668 1.00 1.00 C ATOM 717 CD LYS A 47 -10.532 -2.518 7.466 1.00 1.00 C ATOM 718 CE LYS A 47 -9.681 -2.545 8.731 1.00 1.00 C ATOM 719 NZ LYS A 47 -10.119 -3.672 9.602 1.00 1.00 N ATOM 0 H LYS A 47 -9.508 -0.221 3.774 1.00 1.00 H new ATOM 0 HA LYS A 47 -9.753 -2.848 4.731 1.00 1.00 H new ATOM 0 HB2 LYS A 47 -11.108 -0.176 5.046 1.00 1.00 H new ATOM 0 HB3 LYS A 47 -12.028 -1.570 5.577 1.00 1.00 H new ATOM 0 HG2 LYS A 47 -9.129 -1.257 6.425 1.00 1.00 H new ATOM 0 HG3 LYS A 47 -10.387 -0.377 7.271 1.00 1.00 H new ATOM 0 HD2 LYS A 47 -11.591 -2.525 7.724 1.00 1.00 H new ATOM 0 HD3 LYS A 47 -10.344 -3.409 6.866 1.00 1.00 H new ATOM 0 HE2 LYS A 47 -8.629 -2.660 8.471 1.00 1.00 H new ATOM 0 HE3 LYS A 47 -9.776 -1.600 9.266 1.00 1.00 H new ATOM 0 HZ1 LYS A 47 -10.355 -3.309 10.547 1.00 1.00 H new ATOM 0 HZ2 LYS A 47 -10.957 -4.127 9.186 1.00 1.00 H new ATOM 0 HZ3 LYS A 47 -9.351 -4.369 9.681 1.00 1.00 H new ATOM 733 N LYS A 48 -12.012 -1.927 2.540 1.00 1.00 N ATOM 734 CA LYS A 48 -13.036 -2.426 1.640 1.00 1.00 C ATOM 735 C LYS A 48 -12.532 -3.657 0.885 1.00 1.00 C ATOM 736 O LYS A 48 -13.303 -4.330 0.207 1.00 1.00 O ATOM 737 CB LYS A 48 -13.417 -1.333 0.640 1.00 1.00 C ATOM 738 CG LYS A 48 -14.141 -0.201 1.372 1.00 1.00 C ATOM 739 CD LYS A 48 -14.528 0.890 0.371 1.00 1.00 C ATOM 740 CE LYS A 48 -15.289 2.005 1.090 1.00 1.00 C ATOM 741 NZ LYS A 48 -15.619 3.087 0.119 1.00 1.00 N ATOM 0 H LYS A 48 -11.796 -0.936 2.431 1.00 1.00 H new ATOM 0 HA LYS A 48 -13.910 -2.708 2.227 1.00 1.00 H new ATOM 0 HB2 LYS A 48 -12.524 -0.949 0.147 1.00 1.00 H new ATOM 0 HB3 LYS A 48 -14.058 -1.745 -0.139 1.00 1.00 H new ATOM 0 HG2 LYS A 48 -15.032 -0.586 1.869 1.00 1.00 H new ATOM 0 HG3 LYS A 48 -13.498 0.214 2.148 1.00 1.00 H new ATOM 0 HD2 LYS A 48 -13.634 1.295 -0.104 1.00 1.00 H new ATOM 0 HD3 LYS A 48 -15.146 0.467 -0.421 1.00 1.00 H new ATOM 0 HE2 LYS A 48 -16.202 1.609 1.534 1.00 1.00 H new ATOM 0 HE3 LYS A 48 -14.686 2.405 1.905 1.00 1.00 H new ATOM 0 HZ1 LYS A 48 -16.137 3.846 0.607 1.00 1.00 H new ATOM 0 HZ2 LYS A 48 -14.741 3.471 -0.284 1.00 1.00 H new ATOM 0 HZ3 LYS A 48 -16.210 2.700 -0.644 1.00 1.00 H new ATOM 755 N GLU A 49 -11.232 -3.947 1.006 1.00 1.00 N ATOM 756 CA GLU A 49 -10.634 -5.104 0.326 1.00 1.00 C ATOM 757 C GLU A 49 -10.168 -6.138 1.353 1.00 1.00 C ATOM 758 O GLU A 49 -10.342 -7.342 1.168 1.00 1.00 O ATOM 759 CB GLU A 49 -9.419 -4.662 -0.495 1.00 1.00 C ATOM 760 CG GLU A 49 -9.853 -3.696 -1.598 1.00 1.00 C ATOM 761 CD GLU A 49 -8.638 -3.228 -2.388 1.00 1.00 C ATOM 762 OE1 GLU A 49 -7.550 -3.702 -2.100 1.00 1.00 O ATOM 763 OE2 GLU A 49 -8.810 -2.402 -3.269 1.00 1.00 O ATOM 0 H GLU A 49 -10.576 -3.401 1.565 1.00 1.00 H new ATOM 0 HA GLU A 49 -11.389 -5.541 -0.327 1.00 1.00 H new ATOM 0 HB2 GLU A 49 -8.688 -4.180 0.154 1.00 1.00 H new ATOM 0 HB3 GLU A 49 -8.931 -5.532 -0.934 1.00 1.00 H new ATOM 0 HG2 GLU A 49 -10.563 -4.187 -2.264 1.00 1.00 H new ATOM 0 HG3 GLU A 49 -10.365 -2.839 -1.161 1.00 1.00 H new ATOM 770 N VAL A 50 -9.544 -5.651 2.420 1.00 1.00 N ATOM 771 CA VAL A 50 -9.014 -6.520 3.471 1.00 1.00 C ATOM 772 C VAL A 50 -10.126 -7.257 4.207 1.00 1.00 C ATOM 773 O VAL A 50 -9.990 -8.430 4.531 1.00 1.00 O ATOM 774 CB VAL A 50 -8.223 -5.692 4.483 1.00 1.00 C ATOM 775 CG1 VAL A 50 -7.638 -6.614 5.556 1.00 1.00 C ATOM 776 CG2 VAL A 50 -7.095 -4.948 3.763 1.00 1.00 C ATOM 0 H VAL A 50 -9.391 -4.656 2.583 1.00 1.00 H new ATOM 0 HA VAL A 50 -8.367 -7.254 2.990 1.00 1.00 H new ATOM 0 HB VAL A 50 -8.885 -4.968 4.958 1.00 1.00 H new ATOM 0 HG11 VAL A 50 -7.074 -6.022 6.277 1.00 1.00 H new ATOM 0 HG12 VAL A 50 -8.447 -7.135 6.068 1.00 1.00 H new ATOM 0 HG13 VAL A 50 -6.976 -7.343 5.088 1.00 1.00 H new ATOM 0 HG21 VAL A 50 -6.530 -4.357 4.484 1.00 1.00 H new ATOM 0 HG22 VAL A 50 -6.431 -5.668 3.285 1.00 1.00 H new ATOM 0 HG23 VAL A 50 -7.519 -4.288 3.006 1.00 1.00 H new ATOM 786 N GLU A 51 -11.201 -6.545 4.503 1.00 1.00 N ATOM 787 CA GLU A 51 -12.317 -7.115 5.249 1.00 1.00 C ATOM 788 C GLU A 51 -12.849 -8.375 4.589 1.00 1.00 C ATOM 789 O GLU A 51 -13.354 -9.275 5.260 1.00 1.00 O ATOM 790 CB GLU A 51 -13.426 -6.063 5.336 1.00 1.00 C ATOM 791 CG GLU A 51 -12.919 -4.884 6.173 1.00 1.00 C ATOM 792 CD GLU A 51 -12.752 -5.322 7.626 1.00 1.00 C ATOM 793 OE1 GLU A 51 -13.376 -6.303 8.001 1.00 1.00 O ATOM 794 OE2 GLU A 51 -12.003 -4.685 8.341 1.00 1.00 O ATOM 0 H GLU A 51 -11.327 -5.568 4.238 1.00 1.00 H new ATOM 0 HA GLU A 51 -11.971 -7.393 6.244 1.00 1.00 H new ATOM 0 HB2 GLU A 51 -13.706 -5.725 4.338 1.00 1.00 H new ATOM 0 HB3 GLU A 51 -14.319 -6.492 5.790 1.00 1.00 H new ATOM 0 HG2 GLU A 51 -11.968 -4.527 5.778 1.00 1.00 H new ATOM 0 HG3 GLU A 51 -13.621 -4.053 6.112 1.00 1.00 H new ATOM 801 N LYS A 52 -12.754 -8.418 3.277 1.00 1.00 N ATOM 802 CA LYS A 52 -13.252 -9.550 2.517 1.00 1.00 C ATOM 803 C LYS A 52 -12.464 -10.810 2.846 1.00 1.00 C ATOM 804 O LYS A 52 -13.025 -11.904 2.914 1.00 1.00 O ATOM 805 CB LYS A 52 -13.149 -9.219 1.036 1.00 1.00 C ATOM 806 CG LYS A 52 -13.731 -7.816 0.845 1.00 1.00 C ATOM 807 CD LYS A 52 -14.130 -7.567 -0.620 1.00 1.00 C ATOM 808 CE LYS A 52 -15.257 -6.526 -0.674 1.00 1.00 C ATOM 809 NZ LYS A 52 -16.569 -7.200 -0.452 1.00 1.00 N ATOM 0 H LYS A 52 -12.335 -7.680 2.711 1.00 1.00 H new ATOM 0 HA LYS A 52 -14.293 -9.740 2.779 1.00 1.00 H new ATOM 0 HB2 LYS A 52 -12.111 -9.253 0.705 1.00 1.00 H new ATOM 0 HB3 LYS A 52 -13.698 -9.948 0.440 1.00 1.00 H new ATOM 0 HG2 LYS A 52 -14.603 -7.692 1.487 1.00 1.00 H new ATOM 0 HG3 LYS A 52 -12.998 -7.071 1.155 1.00 1.00 H new ATOM 0 HD2 LYS A 52 -13.269 -7.216 -1.188 1.00 1.00 H new ATOM 0 HD3 LYS A 52 -14.458 -8.498 -1.082 1.00 1.00 H new ATOM 0 HE2 LYS A 52 -15.096 -5.761 0.086 1.00 1.00 H new ATOM 0 HE3 LYS A 52 -15.254 -6.022 -1.640 1.00 1.00 H new ATOM 0 HZ1 LYS A 52 -17.332 -6.495 -0.489 1.00 1.00 H new ATOM 0 HZ2 LYS A 52 -16.722 -7.914 -1.192 1.00 1.00 H new ATOM 0 HZ3 LYS A 52 -16.569 -7.662 0.480 1.00 1.00 H new ATOM 823 N MET A 53 -11.158 -10.648 3.026 1.00 1.00 N ATOM 824 CA MET A 53 -10.286 -11.778 3.330 1.00 1.00 C ATOM 825 C MET A 53 -10.378 -12.823 2.229 1.00 1.00 C ATOM 826 O MET A 53 -10.565 -14.011 2.493 1.00 1.00 O ATOM 827 CB MET A 53 -10.662 -12.409 4.678 1.00 1.00 C ATOM 828 CG MET A 53 -10.290 -11.461 5.822 1.00 1.00 C ATOM 829 SD MET A 53 -8.524 -11.655 6.195 1.00 1.00 S ATOM 830 CE MET A 53 -8.025 -9.922 6.051 1.00 1.00 C ATOM 0 H MET A 53 -10.680 -9.749 2.967 1.00 1.00 H new ATOM 0 HA MET A 53 -9.262 -11.411 3.391 1.00 1.00 H new ATOM 0 HB2 MET A 53 -11.731 -12.622 4.704 1.00 1.00 H new ATOM 0 HB3 MET A 53 -10.145 -13.361 4.800 1.00 1.00 H new ATOM 0 HG2 MET A 53 -10.505 -10.430 5.542 1.00 1.00 H new ATOM 0 HG3 MET A 53 -10.889 -11.683 6.705 1.00 1.00 H new ATOM 0 HE1 MET A 53 -7.040 -9.789 6.499 1.00 1.00 H new ATOM 0 HE2 MET A 53 -7.986 -9.641 4.999 1.00 1.00 H new ATOM 0 HE3 MET A 53 -8.748 -9.291 6.569 1.00 1.00 H new ATOM 840 N SER A 54 -10.221 -12.365 0.991 1.00 1.00 N ATOM 841 CA SER A 54 -10.267 -13.255 -0.164 1.00 1.00 C ATOM 842 C SER A 54 -8.931 -13.959 -0.364 1.00 1.00 C ATOM 843 O SER A 54 -7.969 -13.724 0.372 1.00 1.00 O ATOM 844 CB SER A 54 -10.629 -12.473 -1.426 1.00 1.00 C ATOM 845 OG SER A 54 -9.464 -11.837 -1.936 1.00 1.00 O ATOM 0 H SER A 54 -10.061 -11.384 0.762 1.00 1.00 H new ATOM 0 HA SER A 54 -11.033 -14.007 0.025 1.00 1.00 H new ATOM 0 HB2 SER A 54 -11.048 -13.144 -2.176 1.00 1.00 H new ATOM 0 HB3 SER A 54 -11.394 -11.730 -1.200 1.00 1.00 H new ATOM 0 HG SER A 54 -9.693 -11.336 -2.747 1.00 1.00 H new ATOM 851 N LYS A 55 -8.891 -14.834 -1.361 1.00 1.00 N ATOM 852 CA LYS A 55 -7.686 -15.591 -1.670 1.00 1.00 C ATOM 853 C LYS A 55 -6.553 -14.635 -2.027 1.00 1.00 C ATOM 854 O LYS A 55 -5.405 -14.856 -1.664 1.00 1.00 O ATOM 855 CB LYS A 55 -7.961 -16.547 -2.831 1.00 1.00 C ATOM 856 CG LYS A 55 -8.938 -17.627 -2.361 1.00 1.00 C ATOM 857 CD LYS A 55 -9.256 -18.579 -3.516 1.00 1.00 C ATOM 858 CE LYS A 55 -10.197 -19.678 -3.017 1.00 1.00 C ATOM 859 NZ LYS A 55 -10.243 -20.786 -4.014 1.00 1.00 N ATOM 0 H LYS A 55 -9.683 -15.037 -1.971 1.00 1.00 H new ATOM 0 HA LYS A 55 -7.391 -16.174 -0.797 1.00 1.00 H new ATOM 0 HB2 LYS A 55 -8.380 -16.002 -3.677 1.00 1.00 H new ATOM 0 HB3 LYS A 55 -7.032 -17.002 -3.173 1.00 1.00 H new ATOM 0 HG2 LYS A 55 -8.507 -18.183 -1.528 1.00 1.00 H new ATOM 0 HG3 LYS A 55 -9.855 -17.166 -1.995 1.00 1.00 H new ATOM 0 HD2 LYS A 55 -9.719 -18.032 -4.337 1.00 1.00 H new ATOM 0 HD3 LYS A 55 -8.337 -19.019 -3.904 1.00 1.00 H new ATOM 0 HE2 LYS A 55 -9.854 -20.056 -2.054 1.00 1.00 H new ATOM 0 HE3 LYS A 55 -11.197 -19.272 -2.862 1.00 1.00 H new ATOM 0 HZ1 LYS A 55 -10.883 -21.532 -3.674 1.00 1.00 H new ATOM 0 HZ2 LYS A 55 -10.590 -20.420 -4.924 1.00 1.00 H new ATOM 0 HZ3 LYS A 55 -9.288 -21.179 -4.140 1.00 1.00 H new ATOM 873 N LYS A 56 -6.906 -13.562 -2.724 1.00 1.00 N ATOM 874 CA LYS A 56 -5.938 -12.550 -3.136 1.00 1.00 C ATOM 875 C LYS A 56 -5.254 -11.952 -1.905 1.00 1.00 C ATOM 876 O LYS A 56 -4.038 -11.761 -1.897 1.00 1.00 O ATOM 877 CB LYS A 56 -6.672 -11.422 -3.874 1.00 1.00 C ATOM 878 CG LYS A 56 -7.396 -11.932 -5.138 1.00 1.00 C ATOM 879 CD LYS A 56 -6.407 -12.428 -6.204 1.00 1.00 C ATOM 880 CE LYS A 56 -7.196 -12.864 -7.441 1.00 1.00 C ATOM 881 NZ LYS A 56 -6.250 -13.264 -8.521 1.00 1.00 N ATOM 0 H LYS A 56 -7.863 -13.368 -3.018 1.00 1.00 H new ATOM 0 HA LYS A 56 -5.195 -13.013 -3.785 1.00 1.00 H new ATOM 0 HB2 LYS A 56 -7.396 -10.961 -3.203 1.00 1.00 H new ATOM 0 HB3 LYS A 56 -5.958 -10.647 -4.153 1.00 1.00 H new ATOM 0 HG2 LYS A 56 -8.073 -12.742 -4.867 1.00 1.00 H new ATOM 0 HG3 LYS A 56 -8.007 -11.131 -5.554 1.00 1.00 H new ATOM 0 HD2 LYS A 56 -5.704 -11.637 -6.464 1.00 1.00 H new ATOM 0 HD3 LYS A 56 -5.821 -13.261 -5.817 1.00 1.00 H new ATOM 0 HE2 LYS A 56 -7.852 -13.698 -7.191 1.00 1.00 H new ATOM 0 HE3 LYS A 56 -7.833 -12.049 -7.785 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 -6.787 -13.560 -9.361 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 -5.641 -12.457 -8.766 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 -5.660 -14.055 -8.191 1.00 1.00 H new ATOM 895 N MET A 57 -6.039 -11.678 -0.866 1.00 1.00 N ATOM 896 CA MET A 57 -5.490 -11.122 0.368 1.00 1.00 C ATOM 897 C MET A 57 -4.523 -12.118 0.994 1.00 1.00 C ATOM 898 O MET A 57 -3.484 -11.746 1.540 1.00 1.00 O ATOM 899 CB MET A 57 -6.640 -10.793 1.354 1.00 1.00 C ATOM 900 CG MET A 57 -6.460 -9.388 1.934 1.00 1.00 C ATOM 901 SD MET A 57 -4.802 -9.217 2.641 1.00 1.00 S ATOM 902 CE MET A 57 -4.947 -10.471 3.937 1.00 1.00 C ATOM 0 H MET A 57 -7.048 -11.830 -0.853 1.00 1.00 H new ATOM 0 HA MET A 57 -4.950 -10.202 0.142 1.00 1.00 H new ATOM 0 HB2 MET A 57 -7.599 -10.861 0.840 1.00 1.00 H new ATOM 0 HB3 MET A 57 -6.658 -11.527 2.160 1.00 1.00 H new ATOM 0 HG2 MET A 57 -6.610 -8.642 1.154 1.00 1.00 H new ATOM 0 HG3 MET A 57 -7.212 -9.203 2.701 1.00 1.00 H new ATOM 0 HE1 MET A 57 -4.319 -10.194 4.783 1.00 1.00 H new ATOM 0 HE2 MET A 57 -5.985 -10.539 4.263 1.00 1.00 H new ATOM 0 HE3 MET A 57 -4.625 -11.436 3.547 1.00 1.00 H new ATOM 912 N GLU A 58 -4.887 -13.386 0.913 1.00 1.00 N ATOM 913 CA GLU A 58 -4.075 -14.446 1.468 1.00 1.00 C ATOM 914 C GLU A 58 -2.695 -14.451 0.805 1.00 1.00 C ATOM 915 O GLU A 58 -1.688 -14.702 1.458 1.00 1.00 O ATOM 916 CB GLU A 58 -4.836 -15.782 1.264 1.00 1.00 C ATOM 917 CG GLU A 58 -3.990 -16.839 0.553 1.00 1.00 C ATOM 918 CD GLU A 58 -4.741 -18.166 0.548 1.00 1.00 C ATOM 919 OE1 GLU A 58 -5.332 -18.490 1.566 1.00 1.00 O ATOM 920 OE2 GLU A 58 -4.716 -18.839 -0.470 1.00 1.00 O ATOM 0 H GLU A 58 -5.746 -13.704 0.464 1.00 1.00 H new ATOM 0 HA GLU A 58 -3.905 -14.298 2.535 1.00 1.00 H new ATOM 0 HB2 GLU A 58 -5.152 -16.167 2.233 1.00 1.00 H new ATOM 0 HB3 GLU A 58 -5.740 -15.596 0.685 1.00 1.00 H new ATOM 0 HG2 GLU A 58 -3.778 -16.524 -0.469 1.00 1.00 H new ATOM 0 HG3 GLU A 58 -3.030 -16.953 1.057 1.00 1.00 H new ATOM 927 N GLU A 59 -2.653 -14.184 -0.491 1.00 1.00 N ATOM 928 CA GLU A 59 -1.381 -14.171 -1.216 1.00 1.00 C ATOM 929 C GLU A 59 -0.449 -13.117 -0.631 1.00 1.00 C ATOM 930 O GLU A 59 0.726 -13.381 -0.391 1.00 1.00 O ATOM 931 CB GLU A 59 -1.633 -13.857 -2.693 1.00 1.00 C ATOM 932 CG GLU A 59 -2.656 -14.858 -3.277 1.00 1.00 C ATOM 933 CD GLU A 59 -1.964 -16.067 -3.913 1.00 1.00 C ATOM 934 OE1 GLU A 59 -0.795 -15.966 -4.246 1.00 1.00 O ATOM 935 OE2 GLU A 59 -2.625 -17.080 -4.070 1.00 1.00 O ATOM 0 H GLU A 59 -3.472 -13.975 -1.062 1.00 1.00 H new ATOM 0 HA GLU A 59 -0.915 -15.152 -1.121 1.00 1.00 H new ATOM 0 HB2 GLU A 59 -2.007 -12.839 -2.799 1.00 1.00 H new ATOM 0 HB3 GLU A 59 -0.698 -13.913 -3.250 1.00 1.00 H new ATOM 0 HG2 GLU A 59 -3.326 -15.196 -2.487 1.00 1.00 H new ATOM 0 HG3 GLU A 59 -3.271 -14.356 -4.024 1.00 1.00 H new ATOM 942 N VAL A 60 -0.989 -11.926 -0.399 1.00 1.00 N ATOM 943 CA VAL A 60 -0.205 -10.832 0.170 1.00 1.00 C ATOM 944 C VAL A 60 0.219 -11.203 1.593 1.00 1.00 C ATOM 945 O VAL A 60 1.368 -11.006 1.990 1.00 1.00 O ATOM 946 CB VAL A 60 -1.063 -9.554 0.202 1.00 1.00 C ATOM 947 CG1 VAL A 60 -0.280 -8.377 0.802 1.00 1.00 C ATOM 948 CG2 VAL A 60 -1.505 -9.196 -1.225 1.00 1.00 C ATOM 0 H VAL A 60 -1.962 -11.692 -0.595 1.00 1.00 H new ATOM 0 HA VAL A 60 0.682 -10.657 -0.439 1.00 1.00 H new ATOM 0 HB VAL A 60 -1.935 -9.744 0.828 1.00 1.00 H new ATOM 0 HG11 VAL A 60 -0.911 -7.488 0.812 1.00 1.00 H new ATOM 0 HG12 VAL A 60 0.019 -8.621 1.821 1.00 1.00 H new ATOM 0 HG13 VAL A 60 0.608 -8.185 0.199 1.00 1.00 H new ATOM 0 HG21 VAL A 60 -2.112 -8.291 -1.202 1.00 1.00 H new ATOM 0 HG22 VAL A 60 -0.626 -9.027 -1.847 1.00 1.00 H new ATOM 0 HG23 VAL A 60 -2.091 -10.016 -1.641 1.00 1.00 H new ATOM 958 N LYS A 61 -0.732 -11.735 2.346 1.00 1.00 N ATOM 959 CA LYS A 61 -0.498 -12.143 3.727 1.00 1.00 C ATOM 960 C LYS A 61 0.555 -13.246 3.824 1.00 1.00 C ATOM 961 O LYS A 61 1.452 -13.189 4.666 1.00 1.00 O ATOM 962 CB LYS A 61 -1.825 -12.619 4.308 1.00 1.00 C ATOM 963 CG LYS A 61 -1.663 -13.017 5.770 1.00 1.00 C ATOM 964 CD LYS A 61 -3.034 -13.422 6.323 1.00 1.00 C ATOM 965 CE LYS A 61 -2.895 -13.852 7.781 1.00 1.00 C ATOM 966 NZ LYS A 61 -2.388 -12.708 8.592 1.00 1.00 N ATOM 0 H LYS A 61 -1.685 -11.896 2.020 1.00 1.00 H new ATOM 0 HA LYS A 61 -0.114 -11.294 4.292 1.00 1.00 H new ATOM 0 HB2 LYS A 61 -2.570 -11.828 4.222 1.00 1.00 H new ATOM 0 HB3 LYS A 61 -2.195 -13.468 3.734 1.00 1.00 H new ATOM 0 HG2 LYS A 61 -0.959 -13.844 5.861 1.00 1.00 H new ATOM 0 HG3 LYS A 61 -1.254 -12.186 6.345 1.00 1.00 H new ATOM 0 HD2 LYS A 61 -3.729 -12.586 6.245 1.00 1.00 H new ATOM 0 HD3 LYS A 61 -3.449 -14.238 5.731 1.00 1.00 H new ATOM 0 HE2 LYS A 61 -3.859 -14.185 8.166 1.00 1.00 H new ATOM 0 HE3 LYS A 61 -2.211 -14.697 7.858 1.00 1.00 H new ATOM 0 HZ1 LYS A 61 -2.607 -12.870 9.596 1.00 1.00 H new ATOM 0 HZ2 LYS A 61 -1.358 -12.626 8.471 1.00 1.00 H new ATOM 0 HZ3 LYS A 61 -2.844 -11.829 8.275 1.00 1.00 H new ATOM 980 N ALA A 62 0.442 -14.243 2.957 1.00 1.00 N ATOM 981 CA ALA A 62 1.389 -15.353 2.943 1.00 1.00 C ATOM 982 C ALA A 62 2.711 -14.895 2.345 1.00 1.00 C ATOM 983 O ALA A 62 3.720 -15.597 2.413 1.00 1.00 O ATOM 984 CB ALA A 62 0.826 -16.505 2.109 1.00 1.00 C ATOM 0 H ALA A 62 -0.295 -14.307 2.254 1.00 1.00 H new ATOM 0 HA ALA A 62 1.552 -15.693 3.966 1.00 1.00 H new ATOM 0 HB1 ALA A 62 1.537 -17.331 2.102 1.00 1.00 H new ATOM 0 HB2 ALA A 62 -0.116 -16.841 2.542 1.00 1.00 H new ATOM 0 HB3 ALA A 62 0.655 -16.165 1.088 1.00 1.00 H new ATOM 990 N ALA A 63 2.688 -13.708 1.745 1.00 1.00 N ATOM 991 CA ALA A 63 3.875 -13.141 1.115 1.00 1.00 C ATOM 992 C ALA A 63 4.606 -12.231 2.082 1.00 1.00 C ATOM 993 O ALA A 63 5.629 -11.646 1.733 1.00 1.00 O ATOM 994 CB ALA A 63 3.480 -12.353 -0.134 1.00 1.00 C ATOM 0 H ALA A 63 1.857 -13.119 1.682 1.00 1.00 H new ATOM 0 HA ALA A 63 4.538 -13.958 0.831 1.00 1.00 H new ATOM 0 HB1 ALA A 63 4.373 -11.934 -0.597 1.00 1.00 H new ATOM 0 HB2 ALA A 63 2.982 -13.017 -0.841 1.00 1.00 H new ATOM 0 HB3 ALA A 63 2.802 -11.546 0.144 1.00 1.00 H new ATOM 1000 N ASN A 64 4.074 -12.103 3.297 1.00 1.00 N ATOM 1001 CA ASN A 64 4.699 -11.250 4.297 1.00 1.00 C ATOM 1002 C ASN A 64 4.848 -9.825 3.769 1.00 1.00 C ATOM 1003 O ASN A 64 5.948 -9.269 3.764 1.00 1.00 O ATOM 1004 CB ASN A 64 6.080 -11.823 4.671 1.00 1.00 C ATOM 1005 CG ASN A 64 5.944 -12.958 5.687 1.00 1.00 C ATOM 1006 OD1 ASN A 64 4.989 -12.930 6.577 1.00 1.00 O flip ATOM 1007 ND2 ASN A 64 6.750 -13.890 5.683 1.00 1.00 N flip ATOM 0 H ASN A 64 3.223 -12.573 3.606 1.00 1.00 H new ATOM 0 HA ASN A 64 4.066 -11.222 5.184 1.00 1.00 H new ATOM 0 HB2 ASN A 64 6.581 -12.190 3.775 1.00 1.00 H new ATOM 0 HB3 ASN A 64 6.706 -11.032 5.085 1.00 1.00 H new ATOM 0 HD21 ASN A 64 7.497 -13.915 4.989 1.00 1.00 H new ATOM 0 HD22 ASN A 64 6.670 -14.636 6.373 1.00 1.00 H new ATOM 1014 N VAL A 65 3.741 -9.238 3.311 1.00 1.00 N ATOM 1015 CA VAL A 65 3.764 -7.878 2.770 1.00 1.00 C ATOM 1016 C VAL A 65 2.763 -6.994 3.500 1.00 1.00 C ATOM 1017 O VAL A 65 1.556 -7.202 3.409 1.00 1.00 O ATOM 1018 CB VAL A 65 3.384 -7.946 1.296 1.00 1.00 C ATOM 1019 CG1 VAL A 65 3.194 -6.542 0.713 1.00 1.00 C ATOM 1020 CG2 VAL A 65 4.480 -8.675 0.541 1.00 1.00 C ATOM 0 H VAL A 65 2.822 -9.680 3.304 1.00 1.00 H new ATOM 0 HA VAL A 65 4.760 -7.454 2.898 1.00 1.00 H new ATOM 0 HB VAL A 65 2.440 -8.481 1.197 1.00 1.00 H new ATOM 0 HG11 VAL A 65 2.923 -6.619 -0.340 1.00 1.00 H new ATOM 0 HG12 VAL A 65 2.401 -6.027 1.255 1.00 1.00 H new ATOM 0 HG13 VAL A 65 4.123 -5.980 0.809 1.00 1.00 H new ATOM 0 HG21 VAL A 65 4.219 -8.730 -0.516 1.00 1.00 H new ATOM 0 HG22 VAL A 65 5.421 -8.136 0.655 1.00 1.00 H new ATOM 0 HG23 VAL A 65 4.589 -9.683 0.941 1.00 1.00 H new ATOM 1030 N ARG A 66 3.260 -5.981 4.195 1.00 1.00 N ATOM 1031 CA ARG A 66 2.360 -5.076 4.895 1.00 1.00 C ATOM 1032 C ARG A 66 1.480 -4.373 3.868 1.00 1.00 C ATOM 1033 O ARG A 66 1.816 -4.323 2.685 1.00 1.00 O ATOM 1034 CB ARG A 66 3.135 -4.064 5.751 1.00 1.00 C ATOM 1035 CG ARG A 66 2.154 -3.100 6.437 1.00 1.00 C ATOM 1036 CD ARG A 66 2.912 -2.256 7.469 1.00 1.00 C ATOM 1037 NE ARG A 66 3.917 -1.418 6.820 1.00 1.00 N ATOM 1038 CZ ARG A 66 3.629 -0.194 6.394 1.00 1.00 C ATOM 1039 NH1 ARG A 66 2.421 0.279 6.523 1.00 1.00 N ATOM 1040 NH2 ARG A 66 4.553 0.540 5.837 1.00 1.00 N ATOM 0 H ARG A 66 4.253 -5.768 4.289 1.00 1.00 H new ATOM 0 HA ARG A 66 1.734 -5.648 5.580 1.00 1.00 H new ATOM 0 HB2 ARG A 66 3.728 -4.587 6.501 1.00 1.00 H new ATOM 0 HB3 ARG A 66 3.832 -3.505 5.127 1.00 1.00 H new ATOM 0 HG2 ARG A 66 1.683 -2.453 5.696 1.00 1.00 H new ATOM 0 HG3 ARG A 66 1.356 -3.660 6.924 1.00 1.00 H new ATOM 0 HD2 ARG A 66 2.210 -1.629 8.018 1.00 1.00 H new ATOM 0 HD3 ARG A 66 3.393 -2.910 8.197 1.00 1.00 H new ATOM 0 HE ARG A 66 4.861 -1.781 6.691 1.00 1.00 H new ATOM 0 HH11 ARG A 66 1.693 -0.292 6.953 1.00 1.00 H new ATOM 0 HH12 ARG A 66 2.204 1.220 6.194 1.00 1.00 H new ATOM 0 HH21 ARG A 66 5.499 0.174 5.728 1.00 1.00 H new ATOM 0 HH22 ARG A 66 4.330 1.480 5.510 1.00 1.00 H new ATOM 1054 N VAL A 67 0.333 -3.873 4.311 1.00 1.00 N ATOM 1055 CA VAL A 67 -0.626 -3.219 3.413 1.00 1.00 C ATOM 1056 C VAL A 67 -0.808 -1.745 3.771 1.00 1.00 C ATOM 1057 O VAL A 67 -0.983 -1.398 4.934 1.00 1.00 O ATOM 1058 CB VAL A 67 -1.975 -3.944 3.526 1.00 1.00 C ATOM 1059 CG1 VAL A 67 -3.076 -3.133 2.840 1.00 1.00 C ATOM 1060 CG2 VAL A 67 -1.859 -5.318 2.862 1.00 1.00 C ATOM 0 H VAL A 67 0.039 -3.905 5.287 1.00 1.00 H new ATOM 0 HA VAL A 67 -0.244 -3.271 2.393 1.00 1.00 H new ATOM 0 HB VAL A 67 -2.233 -4.059 4.579 1.00 1.00 H new ATOM 0 HG11 VAL A 67 -4.026 -3.661 2.929 1.00 1.00 H new ATOM 0 HG12 VAL A 67 -3.158 -2.156 3.315 1.00 1.00 H new ATOM 0 HG13 VAL A 67 -2.830 -3.004 1.786 1.00 1.00 H new ATOM 0 HG21 VAL A 67 -2.813 -5.840 2.938 1.00 1.00 H new ATOM 0 HG22 VAL A 67 -1.596 -5.193 1.812 1.00 1.00 H new ATOM 0 HG23 VAL A 67 -1.086 -5.900 3.363 1.00 1.00 H new ATOM 1070 N VAL A 68 -0.791 -0.883 2.754 1.00 1.00 N ATOM 1071 CA VAL A 68 -0.980 0.554 2.959 1.00 1.00 C ATOM 1072 C VAL A 68 -2.095 1.059 2.046 1.00 1.00 C ATOM 1073 O VAL A 68 -2.123 0.754 0.855 1.00 1.00 O ATOM 1074 CB VAL A 68 0.310 1.324 2.665 1.00 1.00 C ATOM 1075 CG1 VAL A 68 1.390 0.935 3.670 1.00 1.00 C ATOM 1076 CG2 VAL A 68 0.790 1.000 1.252 1.00 1.00 C ATOM 0 H VAL A 68 -0.649 -1.154 1.781 1.00 1.00 H new ATOM 0 HA VAL A 68 -1.251 0.720 4.002 1.00 1.00 H new ATOM 0 HB VAL A 68 0.112 2.393 2.747 1.00 1.00 H new ATOM 0 HG11 VAL A 68 2.304 1.487 3.454 1.00 1.00 H new ATOM 0 HG12 VAL A 68 1.052 1.174 4.678 1.00 1.00 H new ATOM 0 HG13 VAL A 68 1.587 -0.135 3.597 1.00 1.00 H new ATOM 0 HG21 VAL A 68 1.708 1.549 1.045 1.00 1.00 H new ATOM 0 HG22 VAL A 68 0.980 -0.070 1.169 1.00 1.00 H new ATOM 0 HG23 VAL A 68 0.024 1.289 0.532 1.00 1.00 H new ATOM 1086 N CYS A 69 -3.020 1.824 2.605 1.00 1.00 N ATOM 1087 CA CYS A 69 -4.131 2.358 1.824 1.00 1.00 C ATOM 1088 C CYS A 69 -3.684 3.579 1.018 1.00 1.00 C ATOM 1089 O CYS A 69 -2.748 4.282 1.394 1.00 1.00 O ATOM 1090 CB CYS A 69 -5.320 2.679 2.763 1.00 1.00 C ATOM 1091 SG CYS A 69 -6.229 4.145 2.195 1.00 1.00 S ATOM 0 H CYS A 69 -3.026 2.089 3.590 1.00 1.00 H new ATOM 0 HA CYS A 69 -4.465 1.610 1.105 1.00 1.00 H new ATOM 0 HB2 CYS A 69 -5.994 1.824 2.805 1.00 1.00 H new ATOM 0 HB3 CYS A 69 -4.952 2.846 3.776 1.00 1.00 H new ATOM 0 HG CYS A 69 -7.218 4.383 3.004 1.00 1.00 H new ATOM 1097 N GLU A 70 -4.347 3.789 -0.120 1.00 1.00 N ATOM 1098 CA GLU A 70 -4.020 4.890 -1.030 1.00 1.00 C ATOM 1099 C GLU A 70 -3.834 6.204 -0.286 1.00 1.00 C ATOM 1100 O GLU A 70 -3.117 7.090 -0.749 1.00 1.00 O ATOM 1101 CB GLU A 70 -5.137 5.068 -2.067 1.00 1.00 C ATOM 1102 CG GLU A 70 -5.231 3.832 -2.977 1.00 1.00 C ATOM 1103 CD GLU A 70 -6.080 2.747 -2.314 1.00 1.00 C ATOM 1104 OE1 GLU A 70 -6.486 2.948 -1.184 1.00 1.00 O ATOM 1105 OE2 GLU A 70 -6.327 1.740 -2.957 1.00 1.00 O ATOM 0 H GLU A 70 -5.121 3.205 -0.436 1.00 1.00 H new ATOM 0 HA GLU A 70 -3.082 4.632 -1.521 1.00 1.00 H new ATOM 0 HB2 GLU A 70 -6.089 5.227 -1.561 1.00 1.00 H new ATOM 0 HB3 GLU A 70 -4.944 5.956 -2.669 1.00 1.00 H new ATOM 0 HG2 GLU A 70 -5.669 4.110 -3.936 1.00 1.00 H new ATOM 0 HG3 GLU A 70 -4.232 3.447 -3.183 1.00 1.00 H new ATOM 1112 N ASP A 71 -4.478 6.337 0.856 1.00 1.00 N ATOM 1113 CA ASP A 71 -4.363 7.563 1.629 1.00 1.00 C ATOM 1114 C ASP A 71 -2.927 7.743 2.103 1.00 1.00 C ATOM 1115 O ASP A 71 -2.509 8.843 2.462 1.00 1.00 O ATOM 1116 CB ASP A 71 -5.301 7.494 2.834 1.00 1.00 C ATOM 1117 CG ASP A 71 -6.750 7.634 2.381 1.00 1.00 C ATOM 1118 OD1 ASP A 71 -6.961 8.095 1.271 1.00 1.00 O ATOM 1119 OD2 ASP A 71 -7.628 7.267 3.146 1.00 1.00 O ATOM 0 H ASP A 71 -5.079 5.623 1.268 1.00 1.00 H new ATOM 0 HA ASP A 71 -4.639 8.412 1.003 1.00 1.00 H new ATOM 0 HB2 ASP A 71 -5.165 6.547 3.356 1.00 1.00 H new ATOM 0 HB3 ASP A 71 -5.055 8.286 3.541 1.00 1.00 H new ATOM 1124 N PHE A 72 -2.182 6.650 2.091 1.00 1.00 N ATOM 1125 CA PHE A 72 -0.788 6.661 2.513 1.00 1.00 C ATOM 1126 C PHE A 72 0.043 7.552 1.596 1.00 1.00 C ATOM 1127 O PHE A 72 0.893 8.310 2.058 1.00 1.00 O ATOM 1128 CB PHE A 72 -0.221 5.242 2.473 1.00 1.00 C ATOM 1129 CG PHE A 72 1.096 5.199 3.224 1.00 1.00 C ATOM 1130 CD1 PHE A 72 2.265 5.739 2.670 1.00 1.00 C ATOM 1131 CD2 PHE A 72 1.132 4.611 4.495 1.00 1.00 C ATOM 1132 CE1 PHE A 72 3.467 5.678 3.394 1.00 1.00 C ATOM 1133 CE2 PHE A 72 2.328 4.556 5.213 1.00 1.00 C ATOM 1134 CZ PHE A 72 3.495 5.087 4.664 1.00 1.00 C ATOM 0 H PHE A 72 -2.521 5.736 1.791 1.00 1.00 H new ATOM 0 HA PHE A 72 -0.742 7.051 3.530 1.00 1.00 H new ATOM 0 HB2 PHE A 72 -0.929 4.544 2.920 1.00 1.00 H new ATOM 0 HB3 PHE A 72 -0.073 4.928 1.440 1.00 1.00 H new ATOM 0 HD1 PHE A 72 2.242 6.199 1.693 1.00 1.00 H new ATOM 0 HD2 PHE A 72 0.230 4.198 4.922 1.00 1.00 H new ATOM 0 HE1 PHE A 72 4.372 6.088 2.971 1.00 1.00 H new ATOM 0 HE2 PHE A 72 2.350 4.103 6.193 1.00 1.00 H new ATOM 0 HZ PHE A 72 4.421 5.043 5.218 1.00 1.00 H new ATOM 1144 N LEU A 73 -0.191 7.424 0.290 1.00 1.00 N ATOM 1145 CA LEU A 73 0.558 8.186 -0.705 1.00 1.00 C ATOM 1146 C LEU A 73 0.323 9.671 -0.511 1.00 1.00 C ATOM 1147 O LEU A 73 1.249 10.477 -0.589 1.00 1.00 O ATOM 1148 CB LEU A 73 0.064 7.801 -2.102 1.00 1.00 C ATOM 1149 CG LEU A 73 0.432 6.347 -2.409 1.00 1.00 C ATOM 1150 CD1 LEU A 73 -0.230 5.923 -3.727 1.00 1.00 C ATOM 1151 CD2 LEU A 73 1.964 6.188 -2.511 1.00 1.00 C ATOM 0 H LEU A 73 -0.895 6.798 -0.102 1.00 1.00 H new ATOM 0 HA LEU A 73 1.620 7.965 -0.595 1.00 1.00 H new ATOM 0 HB2 LEU A 73 -1.016 7.931 -2.163 1.00 1.00 H new ATOM 0 HB3 LEU A 73 0.507 8.461 -2.847 1.00 1.00 H new ATOM 0 HG LEU A 73 0.074 5.710 -1.600 1.00 1.00 H new ATOM 0 HD11 LEU A 73 0.030 4.888 -3.948 1.00 1.00 H new ATOM 0 HD12 LEU A 73 -1.312 6.014 -3.636 1.00 1.00 H new ATOM 0 HD13 LEU A 73 0.121 6.566 -4.534 1.00 1.00 H new ATOM 0 HD21 LEU A 73 2.208 5.148 -2.730 1.00 1.00 H new ATOM 0 HD22 LEU A 73 2.344 6.826 -3.309 1.00 1.00 H new ATOM 0 HD23 LEU A 73 2.424 6.478 -1.566 1.00 1.00 H new ATOM 1163 N GLN A 74 -0.928 10.012 -0.273 1.00 1.00 N ATOM 1164 CA GLN A 74 -1.315 11.392 -0.080 1.00 1.00 C ATOM 1165 C GLN A 74 -0.834 11.917 1.270 1.00 1.00 C ATOM 1166 O GLN A 74 -0.479 13.089 1.404 1.00 1.00 O ATOM 1167 CB GLN A 74 -2.843 11.486 -0.215 1.00 1.00 C ATOM 1168 CG GLN A 74 -3.259 11.052 -1.655 1.00 1.00 C ATOM 1169 CD GLN A 74 -4.051 9.748 -1.646 1.00 1.00 C ATOM 1170 OE1 GLN A 74 -3.641 8.754 -2.389 1.00 1.00 O flip ATOM 1171 NE2 GLN A 74 -5.046 9.621 -0.933 1.00 1.00 N flip ATOM 0 H GLN A 74 -1.698 9.346 -0.209 1.00 1.00 H new ATOM 0 HA GLN A 74 -0.845 12.019 -0.838 1.00 1.00 H new ATOM 0 HB2 GLN A 74 -3.325 10.846 0.524 1.00 1.00 H new ATOM 0 HB3 GLN A 74 -3.175 12.506 -0.019 1.00 1.00 H new ATOM 0 HG2 GLN A 74 -3.859 11.839 -2.113 1.00 1.00 H new ATOM 0 HG3 GLN A 74 -2.367 10.932 -2.270 1.00 1.00 H new ATOM 0 HE21 GLN A 74 -5.362 10.400 -0.355 1.00 1.00 H new ATOM 0 HE22 GLN A 74 -5.555 8.737 -0.920 1.00 1.00 H new ATOM 1180 N ASP A 75 -0.832 11.041 2.269 1.00 1.00 N ATOM 1181 CA ASP A 75 -0.407 11.418 3.614 1.00 1.00 C ATOM 1182 C ASP A 75 1.052 11.877 3.632 1.00 1.00 C ATOM 1183 O ASP A 75 1.368 12.914 4.204 1.00 1.00 O ATOM 1184 CB ASP A 75 -0.565 10.221 4.547 1.00 1.00 C ATOM 1185 CG ASP A 75 -2.041 9.960 4.825 1.00 1.00 C ATOM 1186 OD1 ASP A 75 -2.840 10.847 4.573 1.00 1.00 O ATOM 1187 OD2 ASP A 75 -2.351 8.876 5.292 1.00 1.00 O ATOM 0 H ASP A 75 -1.119 10.067 2.174 1.00 1.00 H new ATOM 0 HA ASP A 75 -1.031 12.247 3.947 1.00 1.00 H new ATOM 0 HB2 ASP A 75 -0.111 9.338 4.097 1.00 1.00 H new ATOM 0 HB3 ASP A 75 -0.039 10.409 5.483 1.00 1.00 H new ATOM 1192 N VAL A 76 1.933 11.105 3.002 1.00 1.00 N ATOM 1193 CA VAL A 76 3.348 11.471 2.960 1.00 1.00 C ATOM 1194 C VAL A 76 3.558 12.709 2.107 1.00 1.00 C ATOM 1195 O VAL A 76 4.391 13.564 2.411 1.00 1.00 O ATOM 1196 CB VAL A 76 4.201 10.330 2.395 1.00 1.00 C ATOM 1197 CG1 VAL A 76 4.215 9.163 3.375 1.00 1.00 C ATOM 1198 CG2 VAL A 76 3.618 9.864 1.059 1.00 1.00 C ATOM 0 H VAL A 76 1.700 10.236 2.521 1.00 1.00 H new ATOM 0 HA VAL A 76 3.658 11.675 3.985 1.00 1.00 H new ATOM 0 HB VAL A 76 5.219 10.687 2.243 1.00 1.00 H new ATOM 0 HG11 VAL A 76 4.823 8.354 2.969 1.00 1.00 H new ATOM 0 HG12 VAL A 76 4.636 9.491 4.325 1.00 1.00 H new ATOM 0 HG13 VAL A 76 3.197 8.808 3.532 1.00 1.00 H new ATOM 0 HG21 VAL A 76 4.227 9.053 0.660 1.00 1.00 H new ATOM 0 HG22 VAL A 76 2.598 9.512 1.210 1.00 1.00 H new ATOM 0 HG23 VAL A 76 3.614 10.695 0.354 1.00 1.00 H new ATOM 1208 N SER A 77 2.811 12.785 1.020 1.00 1.00 N ATOM 1209 CA SER A 77 2.942 13.912 0.100 1.00 1.00 C ATOM 1210 C SER A 77 2.608 15.224 0.800 1.00 1.00 C ATOM 1211 O SER A 77 3.254 16.246 0.569 1.00 1.00 O ATOM 1212 CB SER A 77 1.999 13.740 -1.084 1.00 1.00 C ATOM 1213 OG SER A 77 0.661 13.706 -0.615 1.00 1.00 O ATOM 0 H SER A 77 2.114 12.091 0.750 1.00 1.00 H new ATOM 0 HA SER A 77 3.975 13.938 -0.247 1.00 1.00 H new ATOM 0 HB2 SER A 77 2.129 14.561 -1.789 1.00 1.00 H new ATOM 0 HB3 SER A 77 2.233 12.820 -1.619 1.00 1.00 H new ATOM 0 HG SER A 77 0.653 13.464 0.335 1.00 1.00 H new ATOM 1219 N ALA A 78 1.579 15.189 1.641 1.00 1.00 N ATOM 1220 CA ALA A 78 1.140 16.385 2.363 1.00 1.00 C ATOM 1221 C ALA A 78 1.789 16.486 3.740 1.00 1.00 C ATOM 1222 O ALA A 78 2.555 17.408 4.017 1.00 1.00 O ATOM 1223 CB ALA A 78 -0.379 16.355 2.533 1.00 1.00 C ATOM 0 H ALA A 78 1.034 14.351 1.841 1.00 1.00 H new ATOM 0 HA ALA A 78 1.442 17.253 1.776 1.00 1.00 H new ATOM 0 HB1 ALA A 78 -0.703 17.246 3.071 1.00 1.00 H new ATOM 0 HB2 ALA A 78 -0.854 16.330 1.552 1.00 1.00 H new ATOM 0 HB3 ALA A 78 -0.664 15.467 3.097 1.00 1.00 H new ATOM 1229 N SER A 79 1.438 15.553 4.614 1.00 1.00 N ATOM 1230 CA SER A 79 1.953 15.557 5.982 1.00 1.00 C ATOM 1231 C SER A 79 3.455 15.246 6.024 1.00 1.00 C ATOM 1232 O SER A 79 4.191 15.822 6.823 1.00 1.00 O ATOM 1233 CB SER A 79 1.164 14.559 6.836 1.00 1.00 C ATOM 1234 OG SER A 79 1.216 14.969 8.195 1.00 1.00 O ATOM 0 H SER A 79 0.801 14.785 4.404 1.00 1.00 H new ATOM 0 HA SER A 79 1.823 16.558 6.392 1.00 1.00 H new ATOM 0 HB2 SER A 79 0.129 14.510 6.497 1.00 1.00 H new ATOM 0 HB3 SER A 79 1.583 13.558 6.729 1.00 1.00 H new ATOM 0 HG SER A 79 0.310 14.981 8.568 1.00 1.00 H new ATOM 1240 N ALA A 80 3.897 14.328 5.171 1.00 1.00 N ATOM 1241 CA ALA A 80 5.311 13.947 5.131 1.00 1.00 C ATOM 1242 C ALA A 80 5.804 13.537 6.517 1.00 1.00 C ATOM 1243 O ALA A 80 6.973 13.728 6.856 1.00 1.00 O ATOM 1244 CB ALA A 80 6.153 15.111 4.605 1.00 1.00 C ATOM 0 H ALA A 80 3.305 13.836 4.502 1.00 1.00 H new ATOM 0 HA ALA A 80 5.415 13.094 4.461 1.00 1.00 H new ATOM 0 HB1 ALA A 80 7.203 14.818 4.579 1.00 1.00 H new ATOM 0 HB2 ALA A 80 5.824 15.373 3.599 1.00 1.00 H new ATOM 0 HB3 ALA A 80 6.033 15.973 5.262 1.00 1.00 H new ATOM 1250 N LYS A 81 4.899 12.971 7.306 1.00 1.00 N ATOM 1251 CA LYS A 81 5.203 12.528 8.654 1.00 1.00 C ATOM 1252 C LYS A 81 6.145 11.337 8.681 1.00 1.00 C ATOM 1253 O LYS A 81 6.673 10.901 7.659 1.00 1.00 O ATOM 1254 CB LYS A 81 3.883 12.159 9.327 1.00 1.00 C ATOM 1255 CG LYS A 81 3.152 13.445 9.674 1.00 1.00 C ATOM 1256 CD LYS A 81 1.691 13.157 10.027 1.00 1.00 C ATOM 1257 CE LYS A 81 1.622 12.103 11.131 1.00 1.00 C ATOM 1258 NZ LYS A 81 0.271 12.124 11.761 1.00 1.00 N ATOM 0 H LYS A 81 3.932 12.807 7.025 1.00 1.00 H new ATOM 0 HA LYS A 81 5.711 13.335 9.181 1.00 1.00 H new ATOM 0 HB2 LYS A 81 3.276 11.544 8.662 1.00 1.00 H new ATOM 0 HB3 LYS A 81 4.066 11.571 10.226 1.00 1.00 H new ATOM 0 HG2 LYS A 81 3.645 13.934 10.514 1.00 1.00 H new ATOM 0 HG3 LYS A 81 3.199 14.135 8.831 1.00 1.00 H new ATOM 0 HD2 LYS A 81 1.200 14.073 10.355 1.00 1.00 H new ATOM 0 HD3 LYS A 81 1.156 12.807 9.144 1.00 1.00 H new ATOM 0 HE2 LYS A 81 1.826 11.115 10.718 1.00 1.00 H new ATOM 0 HE3 LYS A 81 2.387 12.298 11.882 1.00 1.00 H new ATOM 0 HZ1 LYS A 81 0.227 11.406 12.512 1.00 1.00 H new ATOM 0 HZ2 LYS A 81 0.093 13.064 12.170 1.00 1.00 H new ATOM 0 HZ3 LYS A 81 -0.451 11.917 11.041 1.00 1.00 H new ATOM 1272 N SER A 82 6.359 10.847 9.890 1.00 1.00 N ATOM 1273 CA SER A 82 7.253 9.718 10.116 1.00 1.00 C ATOM 1274 C SER A 82 6.647 8.416 9.616 1.00 1.00 C ATOM 1275 O SER A 82 5.429 8.241 9.583 1.00 1.00 O ATOM 1276 CB SER A 82 7.571 9.605 11.609 1.00 1.00 C ATOM 1277 OG SER A 82 8.500 10.620 11.968 1.00 1.00 O ATOM 0 H SER A 82 5.924 11.214 10.737 1.00 1.00 H new ATOM 0 HA SER A 82 8.171 9.895 9.555 1.00 1.00 H new ATOM 0 HB2 SER A 82 6.658 9.707 12.196 1.00 1.00 H new ATOM 0 HB3 SER A 82 7.985 8.621 11.831 1.00 1.00 H new ATOM 0 HG SER A 82 8.705 10.552 12.924 1.00 1.00 H new ATOM 1283 N LEU A 83 7.522 7.508 9.216 1.00 1.00 N ATOM 1284 CA LEU A 83 7.095 6.218 8.700 1.00 1.00 C ATOM 1285 C LEU A 83 6.348 5.423 9.770 1.00 1.00 C ATOM 1286 O LEU A 83 5.351 4.761 9.484 1.00 1.00 O ATOM 1287 CB LEU A 83 8.319 5.411 8.260 1.00 1.00 C ATOM 1288 CG LEU A 83 8.993 6.049 7.011 1.00 1.00 C ATOM 1289 CD1 LEU A 83 10.222 6.866 7.435 1.00 1.00 C ATOM 1290 CD2 LEU A 83 9.442 4.946 6.039 1.00 1.00 C ATOM 0 H LEU A 83 8.533 7.641 9.239 1.00 1.00 H new ATOM 0 HA LEU A 83 6.430 6.394 7.855 1.00 1.00 H new ATOM 0 HB2 LEU A 83 9.038 5.360 9.078 1.00 1.00 H new ATOM 0 HB3 LEU A 83 8.021 4.387 8.033 1.00 1.00 H new ATOM 0 HG LEU A 83 8.270 6.702 6.522 1.00 1.00 H new ATOM 0 HD11 LEU A 83 10.687 7.308 6.554 1.00 1.00 H new ATOM 0 HD12 LEU A 83 9.915 7.657 8.119 1.00 1.00 H new ATOM 0 HD13 LEU A 83 10.938 6.213 7.934 1.00 1.00 H new ATOM 0 HD21 LEU A 83 9.913 5.399 5.167 1.00 1.00 H new ATOM 0 HD22 LEU A 83 10.156 4.290 6.537 1.00 1.00 H new ATOM 0 HD23 LEU A 83 8.576 4.365 5.723 1.00 1.00 H new ATOM 1302 N GLN A 84 6.860 5.481 10.994 1.00 1.00 N ATOM 1303 CA GLN A 84 6.267 4.746 12.112 1.00 1.00 C ATOM 1304 C GLN A 84 4.860 5.237 12.432 1.00 1.00 C ATOM 1305 O GLN A 84 3.968 4.436 12.714 1.00 1.00 O ATOM 1306 CB GLN A 84 7.157 4.916 13.345 1.00 1.00 C ATOM 1307 CG GLN A 84 8.553 4.372 13.031 1.00 1.00 C ATOM 1308 CD GLN A 84 8.489 2.872 12.770 1.00 1.00 C ATOM 1309 OE1 GLN A 84 8.144 2.099 13.664 1.00 1.00 O ATOM 1310 NE2 GLN A 84 8.775 2.415 11.581 1.00 1.00 N ATOM 0 H GLN A 84 7.684 6.029 11.240 1.00 1.00 H new ATOM 0 HA GLN A 84 6.195 3.696 11.829 1.00 1.00 H new ATOM 0 HB2 GLN A 84 7.217 5.968 13.624 1.00 1.00 H new ATOM 0 HB3 GLN A 84 6.728 4.385 14.195 1.00 1.00 H new ATOM 0 HG2 GLN A 84 8.962 4.883 12.159 1.00 1.00 H new ATOM 0 HG3 GLN A 84 9.226 4.575 13.864 1.00 1.00 H new ATOM 0 HE21 GLN A 84 9.060 3.058 10.843 1.00 1.00 H new ATOM 0 HE22 GLN A 84 8.713 1.415 11.391 1.00 1.00 H new ATOM 1319 N GLU A 85 4.665 6.551 12.403 1.00 1.00 N ATOM 1320 CA GLU A 85 3.360 7.128 12.705 1.00 1.00 C ATOM 1321 C GLU A 85 2.334 6.755 11.631 1.00 1.00 C ATOM 1322 O GLU A 85 1.180 6.467 11.933 1.00 1.00 O ATOM 1323 CB GLU A 85 3.493 8.672 12.815 1.00 1.00 C ATOM 1324 CG GLU A 85 3.059 9.166 14.202 1.00 1.00 C ATOM 1325 CD GLU A 85 1.572 8.895 14.405 1.00 1.00 C ATOM 1326 OE1 GLU A 85 0.883 8.726 13.413 1.00 1.00 O ATOM 1327 OE2 GLU A 85 1.144 8.862 15.546 1.00 1.00 O ATOM 0 H GLU A 85 5.389 7.233 12.175 1.00 1.00 H new ATOM 0 HA GLU A 85 3.008 6.726 13.655 1.00 1.00 H new ATOM 0 HB2 GLU A 85 4.526 8.966 12.628 1.00 1.00 H new ATOM 0 HB3 GLU A 85 2.882 9.148 12.048 1.00 1.00 H new ATOM 0 HG2 GLU A 85 3.639 8.662 14.975 1.00 1.00 H new ATOM 0 HG3 GLU A 85 3.260 10.233 14.297 1.00 1.00 H new ATOM 1334 N LEU A 86 2.759 6.808 10.378 1.00 1.00 N ATOM 1335 CA LEU A 86 1.873 6.512 9.257 1.00 1.00 C ATOM 1336 C LEU A 86 1.374 5.068 9.279 1.00 1.00 C ATOM 1337 O LEU A 86 0.201 4.815 9.015 1.00 1.00 O ATOM 1338 CB LEU A 86 2.618 6.788 7.946 1.00 1.00 C ATOM 1339 CG LEU A 86 2.878 8.297 7.794 1.00 1.00 C ATOM 1340 CD1 LEU A 86 3.914 8.520 6.692 1.00 1.00 C ATOM 1341 CD2 LEU A 86 1.587 9.048 7.419 1.00 1.00 C ATOM 0 H LEU A 86 3.712 7.053 10.109 1.00 1.00 H new ATOM 0 HA LEU A 86 0.997 7.155 9.340 1.00 1.00 H new ATOM 0 HB2 LEU A 86 3.563 6.245 7.934 1.00 1.00 H new ATOM 0 HB3 LEU A 86 2.032 6.425 7.102 1.00 1.00 H new ATOM 0 HG LEU A 86 3.241 8.680 8.748 1.00 1.00 H new ATOM 0 HD11 LEU A 86 4.102 9.588 6.580 1.00 1.00 H new ATOM 0 HD12 LEU A 86 4.842 8.014 6.957 1.00 1.00 H new ATOM 0 HD13 LEU A 86 3.537 8.117 5.752 1.00 1.00 H new ATOM 0 HD21 LEU A 86 1.801 10.112 7.318 1.00 1.00 H new ATOM 0 HD22 LEU A 86 1.204 8.664 6.473 1.00 1.00 H new ATOM 0 HD23 LEU A 86 0.840 8.900 8.199 1.00 1.00 H new ATOM 1353 N LEU A 87 2.262 4.127 9.591 1.00 1.00 N ATOM 1354 CA LEU A 87 1.885 2.715 9.625 1.00 1.00 C ATOM 1355 C LEU A 87 1.157 2.387 10.921 1.00 1.00 C ATOM 1356 O LEU A 87 0.656 1.282 11.104 1.00 1.00 O ATOM 1357 CB LEU A 87 3.120 1.819 9.446 1.00 1.00 C ATOM 1358 CG LEU A 87 4.128 2.019 10.593 1.00 1.00 C ATOM 1359 CD1 LEU A 87 3.636 1.358 11.901 1.00 1.00 C ATOM 1360 CD2 LEU A 87 5.476 1.418 10.163 1.00 1.00 C ATOM 0 H LEU A 87 3.238 4.313 9.822 1.00 1.00 H new ATOM 0 HA LEU A 87 1.205 2.520 8.796 1.00 1.00 H new ATOM 0 HB2 LEU A 87 2.811 0.774 9.408 1.00 1.00 H new ATOM 0 HB3 LEU A 87 3.600 2.044 8.494 1.00 1.00 H new ATOM 0 HG LEU A 87 4.236 3.085 10.794 1.00 1.00 H new ATOM 0 HD11 LEU A 87 4.372 1.519 12.689 1.00 1.00 H new ATOM 0 HD12 LEU A 87 2.685 1.800 12.197 1.00 1.00 H new ATOM 0 HD13 LEU A 87 3.504 0.288 11.741 1.00 1.00 H new ATOM 0 HD21 LEU A 87 6.205 1.550 10.963 1.00 1.00 H new ATOM 0 HD22 LEU A 87 5.351 0.355 9.957 1.00 1.00 H new ATOM 0 HD23 LEU A 87 5.829 1.923 9.264 1.00 1.00 H new ATOM 1372 N SER A 88 1.083 3.357 11.811 1.00 1.00 N ATOM 1373 CA SER A 88 0.389 3.159 13.072 1.00 1.00 C ATOM 1374 C SER A 88 -1.077 2.849 12.808 1.00 1.00 C ATOM 1375 O SER A 88 -1.673 2.009 13.482 1.00 1.00 O ATOM 1376 CB SER A 88 0.501 4.413 13.931 1.00 1.00 C ATOM 1377 OG SER A 88 1.870 4.765 14.050 1.00 1.00 O ATOM 0 H SER A 88 1.491 4.284 11.688 1.00 1.00 H new ATOM 0 HA SER A 88 0.846 2.323 13.601 1.00 1.00 H new ATOM 0 HB2 SER A 88 -0.061 5.231 13.480 1.00 1.00 H new ATOM 0 HB3 SER A 88 0.070 4.235 14.916 1.00 1.00 H new ATOM 0 HG SER A 88 2.415 4.139 13.530 1.00 1.00 H new ATOM 1383 N ALA A 89 -1.662 3.557 11.834 1.00 1.00 N ATOM 1384 CA ALA A 89 -3.086 3.367 11.508 1.00 1.00 C ATOM 1385 C ALA A 89 -3.316 3.012 10.036 1.00 1.00 C ATOM 1386 O ALA A 89 -4.370 2.479 9.688 1.00 1.00 O ATOM 1387 CB ALA A 89 -3.848 4.651 11.839 1.00 1.00 C ATOM 0 H ALA A 89 -1.184 4.256 11.265 1.00 1.00 H new ATOM 0 HA ALA A 89 -3.448 2.529 12.103 1.00 1.00 H new ATOM 0 HB1 ALA A 89 -4.903 4.519 11.601 1.00 1.00 H new ATOM 0 HB2 ALA A 89 -3.741 4.874 12.900 1.00 1.00 H new ATOM 0 HB3 ALA A 89 -3.444 5.476 11.252 1.00 1.00 H new ATOM 1393 N HIS A 90 -2.357 3.324 9.168 1.00 1.00 N ATOM 1394 CA HIS A 90 -2.518 3.044 7.735 1.00 1.00 C ATOM 1395 C HIS A 90 -2.047 1.639 7.362 1.00 1.00 C ATOM 1396 O HIS A 90 -2.230 1.203 6.225 1.00 1.00 O ATOM 1397 CB HIS A 90 -1.725 4.054 6.914 1.00 1.00 C ATOM 1398 CG HIS A 90 -2.095 5.452 7.326 1.00 1.00 C ATOM 1399 ND1 HIS A 90 -3.381 5.810 7.711 1.00 1.00 N ATOM 1400 CD2 HIS A 90 -1.353 6.597 7.414 1.00 1.00 C ATOM 1401 CE1 HIS A 90 -3.364 7.125 8.007 1.00 1.00 C ATOM 1402 NE2 HIS A 90 -2.150 7.651 7.840 1.00 1.00 N ATOM 0 H HIS A 90 -1.472 3.764 9.421 1.00 1.00 H new ATOM 0 HA HIS A 90 -3.583 3.119 7.516 1.00 1.00 H new ATOM 0 HB2 HIS A 90 -0.656 3.894 7.058 1.00 1.00 H new ATOM 0 HB3 HIS A 90 -1.928 3.913 5.853 1.00 1.00 H new ATOM 0 HD2 HIS A 90 -0.300 6.671 7.185 1.00 1.00 H new ATOM 0 HE1 HIS A 90 -4.227 7.684 8.338 1.00 1.00 H new ATOM 0 HE2 HIS A 90 -1.868 8.619 7.992 1.00 1.00 H new ATOM 1411 N SER A 91 -1.433 0.940 8.306 1.00 1.00 N ATOM 1412 CA SER A 91 -0.926 -0.404 8.042 1.00 1.00 C ATOM 1413 C SER A 91 -2.029 -1.362 7.627 1.00 1.00 C ATOM 1414 O SER A 91 -1.782 -2.303 6.877 1.00 1.00 O ATOM 1415 CB SER A 91 -0.241 -0.960 9.283 1.00 1.00 C ATOM 1416 OG SER A 91 -1.160 -0.962 10.367 1.00 1.00 O ATOM 0 H SER A 91 -1.273 1.276 9.256 1.00 1.00 H new ATOM 0 HA SER A 91 -0.216 -0.318 7.219 1.00 1.00 H new ATOM 0 HB2 SER A 91 0.116 -1.972 9.092 1.00 1.00 H new ATOM 0 HB3 SER A 91 0.631 -0.356 9.532 1.00 1.00 H new ATOM 0 HG SER A 91 -0.921 -0.253 11.000 1.00 1.00 H new ATOM 1422 N LEU A 92 -3.243 -1.139 8.114 1.00 1.00 N ATOM 1423 CA LEU A 92 -4.360 -2.018 7.771 1.00 1.00 C ATOM 1424 C LEU A 92 -3.937 -3.486 7.843 1.00 1.00 C ATOM 1425 O LEU A 92 -4.632 -4.373 7.345 1.00 1.00 O ATOM 1426 CB LEU A 92 -4.814 -1.695 6.360 1.00 1.00 C ATOM 1427 CG LEU A 92 -5.377 -0.275 6.340 1.00 1.00 C ATOM 1428 CD1 LEU A 92 -5.569 0.159 4.889 1.00 1.00 C ATOM 1429 CD2 LEU A 92 -6.730 -0.202 7.093 1.00 1.00 C ATOM 0 H LEU A 92 -3.480 -0.369 8.739 1.00 1.00 H new ATOM 0 HA LEU A 92 -5.172 -1.858 8.481 1.00 1.00 H new ATOM 0 HB2 LEU A 92 -3.978 -1.780 5.665 1.00 1.00 H new ATOM 0 HB3 LEU A 92 -5.573 -2.407 6.035 1.00 1.00 H new ATOM 0 HG LEU A 92 -4.676 0.391 6.843 1.00 1.00 H new ATOM 0 HD11 LEU A 92 -5.971 1.172 4.862 1.00 1.00 H new ATOM 0 HD12 LEU A 92 -4.610 0.135 4.372 1.00 1.00 H new ATOM 0 HD13 LEU A 92 -6.264 -0.520 4.395 1.00 1.00 H new ATOM 0 HD21 LEU A 92 -7.108 0.820 7.063 1.00 1.00 H new ATOM 0 HD22 LEU A 92 -7.448 -0.869 6.616 1.00 1.00 H new ATOM 0 HD23 LEU A 92 -6.586 -0.506 8.130 1.00 1.00 H new ATOM 1441 N SER A 93 -2.786 -3.730 8.457 1.00 1.00 N ATOM 1442 CA SER A 93 -2.252 -5.078 8.587 1.00 1.00 C ATOM 1443 C SER A 93 -1.336 -5.177 9.796 1.00 1.00 C ATOM 1444 O SER A 93 -1.003 -4.169 10.421 1.00 1.00 O ATOM 1445 CB SER A 93 -1.467 -5.443 7.328 1.00 1.00 C ATOM 1446 OG SER A 93 -0.575 -6.506 7.629 1.00 1.00 O ATOM 0 H SER A 93 -2.202 -3.006 8.875 1.00 1.00 H new ATOM 0 HA SER A 93 -3.085 -5.769 8.718 1.00 1.00 H new ATOM 0 HB2 SER A 93 -2.150 -5.739 6.532 1.00 1.00 H new ATOM 0 HB3 SER A 93 -0.912 -4.577 6.967 1.00 1.00 H new ATOM 0 HG SER A 93 -0.962 -7.354 7.325 1.00 1.00 H new ATOM 1452 N SER A 94 -0.925 -6.401 10.115 1.00 1.00 N ATOM 1453 CA SER A 94 -0.035 -6.642 11.247 1.00 1.00 C ATOM 1454 C SER A 94 1.081 -7.593 10.831 1.00 1.00 C ATOM 1455 O SER A 94 1.608 -8.345 11.650 1.00 1.00 O ATOM 1456 CB SER A 94 -0.820 -7.233 12.418 1.00 1.00 C ATOM 1457 OG SER A 94 -1.922 -6.383 12.710 1.00 1.00 O ATOM 0 H SER A 94 -1.194 -7.242 9.605 1.00 1.00 H new ATOM 0 HA SER A 94 0.403 -5.695 11.563 1.00 1.00 H new ATOM 0 HB2 SER A 94 -1.172 -8.234 12.169 1.00 1.00 H new ATOM 0 HB3 SER A 94 -0.177 -7.330 13.292 1.00 1.00 H new ATOM 0 HG SER A 94 -2.433 -6.755 13.459 1.00 1.00 H new ATOM 1463 N TRP A 95 1.427 -7.550 9.542 1.00 1.00 N ATOM 1464 CA TRP A 95 2.479 -8.402 8.988 1.00 1.00 C ATOM 1465 C TRP A 95 3.313 -7.642 7.958 1.00 1.00 C ATOM 1466 O TRP A 95 2.939 -6.552 7.524 1.00 1.00 O ATOM 1467 CB TRP A 95 1.862 -9.652 8.347 1.00 1.00 C ATOM 1468 CG TRP A 95 1.130 -9.276 7.100 1.00 1.00 C ATOM 1469 CD1 TRP A 95 1.690 -9.125 5.881 1.00 1.00 C ATOM 1470 CD2 TRP A 95 -0.289 -9.004 6.939 1.00 1.00 C ATOM 1471 NE1 TRP A 95 0.706 -8.767 4.979 1.00 1.00 N ATOM 1472 CE2 TRP A 95 -0.534 -8.679 5.585 1.00 1.00 C ATOM 1473 CE3 TRP A 95 -1.373 -9.003 7.832 1.00 1.00 C ATOM 1474 CZ2 TRP A 95 -1.817 -8.366 5.131 1.00 1.00 C ATOM 1475 CZ3 TRP A 95 -2.663 -8.686 7.381 1.00 1.00 C ATOM 1476 CH2 TRP A 95 -2.886 -8.369 6.033 1.00 1.00 C ATOM 0 H TRP A 95 0.990 -6.930 8.860 1.00 1.00 H new ATOM 0 HA TRP A 95 3.136 -8.705 9.803 1.00 1.00 H new ATOM 0 HB2 TRP A 95 2.643 -10.376 8.116 1.00 1.00 H new ATOM 0 HB3 TRP A 95 1.180 -10.132 9.049 1.00 1.00 H new ATOM 0 HD1 TRP A 95 2.736 -9.262 5.649 1.00 1.00 H new ATOM 0 HE1 TRP A 95 0.874 -8.590 3.989 1.00 1.00 H new ATOM 0 HE3 TRP A 95 -1.213 -9.248 8.872 1.00 1.00 H new ATOM 0 HZ2 TRP A 95 -1.982 -8.124 4.092 1.00 1.00 H new ATOM 0 HZ3 TRP A 95 -3.490 -8.686 8.076 1.00 1.00 H new ATOM 0 HH2 TRP A 95 -3.882 -8.128 5.692 1.00 1.00 H new ATOM 1487 N GLY A 96 4.448 -8.227 7.582 1.00 1.00 N ATOM 1488 CA GLY A 96 5.352 -7.608 6.610 1.00 1.00 C ATOM 1489 C GLY A 96 6.802 -7.839 7.019 1.00 1.00 C ATOM 1490 O GLY A 96 7.556 -6.890 7.235 1.00 1.00 O ATOM 0 H GLY A 96 4.766 -9.130 7.935 1.00 1.00 H new ATOM 0 HA2 GLY A 96 5.175 -8.027 5.619 1.00 1.00 H new ATOM 0 HA3 GLY A 96 5.151 -6.539 6.545 1.00 1.00 H new ATOM 1494 N ALA A 97 7.179 -9.107 7.127 1.00 1.00 N ATOM 1495 CA ALA A 97 8.539 -9.469 7.512 1.00 1.00 C ATOM 1496 C ALA A 97 8.990 -8.674 8.732 1.00 1.00 C ATOM 1497 O ALA A 97 10.185 -8.449 8.931 1.00 1.00 O ATOM 1498 CB ALA A 97 9.496 -9.220 6.342 1.00 1.00 C ATOM 0 H ALA A 97 6.564 -9.902 6.954 1.00 1.00 H new ATOM 0 HA ALA A 97 8.552 -10.528 7.770 1.00 1.00 H new ATOM 0 HB1 ALA A 97 10.509 -9.492 6.637 1.00 1.00 H new ATOM 0 HB2 ALA A 97 9.191 -9.825 5.488 1.00 1.00 H new ATOM 0 HB3 ALA A 97 9.469 -8.165 6.068 1.00 1.00 H new