USER MOD reduce.3.24.130724 H: found=0, std=0, add=787, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 787 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 52 SER OG : rot 28:sc= -1 USER MOD Set 1.2: A 64 MET CE :methyl -115:sc= -4.13! (180deg=-6.52!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot -43:sc= 0.926! USER MOD Single : A 13 ASN : amide:sc= -0.116 K(o=-0.12,f=-2!) USER MOD Single : A 14 MET CE :methyl -148:sc= -0.764 (180deg=-3.02!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl -113:sc= -0.382 (180deg=-3.39!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.463 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -2.5! C(o=-2.5!,f=-6.6!) USER MOD Single : A 46 LYS NZ :NH3+ 153:sc=-0.00777 (180deg=-0.203) USER MOD Single : A 48 SER OG : rot -170:sc= 0.0572 USER MOD Single : A 50 CYS SG : rot -160:sc= -0.992 USER MOD Single : A 53 THR OG1 : rot 180:sc=0.000277 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 158:sc= -0.462 (180deg=-1.23) USER MOD Single : A 59 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.024) USER MOD Single : A 60 MET CE :methyl 156:sc= -5.19! (180deg=-6.24!) USER MOD Single : A 61 ASN : amide:sc= -1.62 K(o=-1.6,f=-2.8) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -1.3 K(o=-1.3,f=-3.4!) USER MOD Single : A 76 SER OG : rot 170:sc= -0.29 USER MOD Single : A 81 GLN : amide:sc= -0.523 K(o=-0.52,f=-1.5) USER MOD Single : A 84 SER OG : rot 180:sc= -0.0118 USER MOD Single : A 86 SER OG : rot -110:sc= -1.56! USER MOD Single : A 87 THR OG1 : rot 180:sc= 0.0479 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= -0.226 K(o=-0.23,f=-2.7!) USER MOD Single : A 97 HIS : no HE2:sc= -10.1! C(o=-10!,f=-15!) USER MOD Single : A 100 SER OG : rot 130:sc= 1.05 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 78 N LYS A 9 1.517 13.986 -7.386 1.00 0.00 N ATOM 79 CA LYS A 9 0.709 12.784 -7.274 1.00 0.00 C ATOM 80 C LYS A 9 1.579 11.561 -7.570 1.00 0.00 C ATOM 81 O LYS A 9 1.714 11.155 -8.724 1.00 0.00 O ATOM 82 CB LYS A 9 -0.531 12.887 -8.164 1.00 0.00 C ATOM 83 CG LYS A 9 -1.220 14.242 -7.989 1.00 0.00 C ATOM 84 CD LYS A 9 -2.742 14.094 -8.049 1.00 0.00 C ATOM 85 CE LYS A 9 -3.336 14.983 -9.144 1.00 0.00 C ATOM 86 NZ LYS A 9 -4.628 15.555 -8.703 1.00 0.00 N ATOM 0 HA LYS A 9 0.334 12.670 -6.257 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -0.246 12.752 -9.207 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -1.228 12.086 -7.917 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -0.931 14.681 -7.034 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -0.886 14.927 -8.768 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -3.003 13.053 -8.239 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -3.175 14.360 -7.085 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -2.640 15.786 -9.386 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -3.481 14.401 -10.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -5.017 16.156 -9.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -5.295 14.785 -8.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -4.480 16.127 -7.847 1.00 0.00 H new ATOM 100 N PRO A 10 2.161 10.992 -6.481 1.00 0.00 N ATOM 101 CA PRO A 10 3.014 9.823 -6.613 1.00 0.00 C ATOM 102 C PRO A 10 2.184 8.564 -6.869 1.00 0.00 C ATOM 103 O PRO A 10 2.474 7.801 -7.789 1.00 0.00 O ATOM 104 CB PRO A 10 3.801 9.762 -5.314 1.00 0.00 C ATOM 105 CG PRO A 10 3.032 10.617 -4.320 1.00 0.00 C ATOM 106 CD PRO A 10 2.024 11.445 -5.100 1.00 0.00 C ATOM 0 HA PRO A 10 3.687 9.888 -7.468 1.00 0.00 H new ATOM 0 HB2 PRO A 10 3.890 8.735 -4.959 1.00 0.00 H new ATOM 0 HB3 PRO A 10 4.814 10.140 -5.453 1.00 0.00 H new ATOM 0 HG2 PRO A 10 2.525 9.989 -3.588 1.00 0.00 H new ATOM 0 HG3 PRO A 10 3.712 11.265 -3.767 1.00 0.00 H new ATOM 0 HD2 PRO A 10 1.011 11.287 -4.730 1.00 0.00 H new ATOM 0 HD3 PRO A 10 2.233 12.511 -5.010 1.00 0.00 H new ATOM 114 N LEU A 11 1.167 8.386 -6.038 1.00 0.00 N ATOM 115 CA LEU A 11 0.292 7.232 -6.163 1.00 0.00 C ATOM 116 C LEU A 11 -0.722 7.486 -7.280 1.00 0.00 C ATOM 117 O LEU A 11 -1.547 6.624 -7.581 1.00 0.00 O ATOM 118 CB LEU A 11 -0.349 6.898 -4.815 1.00 0.00 C ATOM 119 CG LEU A 11 0.600 6.383 -3.730 1.00 0.00 C ATOM 120 CD1 LEU A 11 1.591 5.369 -4.305 1.00 0.00 C ATOM 121 CD2 LEU A 11 1.308 7.542 -3.026 1.00 0.00 C ATOM 0 H LEU A 11 0.929 9.021 -5.276 1.00 0.00 H new ATOM 0 HA LEU A 11 0.864 6.348 -6.446 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.846 7.792 -4.440 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -1.123 6.148 -4.979 1.00 0.00 H new ATOM 0 HG LEU A 11 0.008 5.863 -2.977 1.00 0.00 H new ATOM 0 HD11 LEU A 11 2.254 5.019 -3.514 1.00 0.00 H new ATOM 0 HD12 LEU A 11 1.045 4.523 -4.722 1.00 0.00 H new ATOM 0 HD13 LEU A 11 2.181 5.842 -5.090 1.00 0.00 H new ATOM 0 HD21 LEU A 11 1.976 7.149 -2.260 1.00 0.00 H new ATOM 0 HD22 LEU A 11 1.886 8.111 -3.754 1.00 0.00 H new ATOM 0 HD23 LEU A 11 0.567 8.193 -2.562 1.00 0.00 H new ATOM 133 N SER A 12 -0.627 8.671 -7.865 1.00 0.00 N ATOM 134 CA SER A 12 -1.526 9.048 -8.942 1.00 0.00 C ATOM 135 C SER A 12 -1.582 7.935 -9.991 1.00 0.00 C ATOM 136 O SER A 12 -0.623 7.728 -10.733 1.00 0.00 O ATOM 137 CB SER A 12 -1.090 10.365 -9.588 1.00 0.00 C ATOM 138 OG SER A 12 -0.736 10.196 -10.958 1.00 0.00 O ATOM 0 H SER A 12 0.059 9.383 -7.613 1.00 0.00 H new ATOM 0 HA SER A 12 -2.521 9.193 -8.522 1.00 0.00 H new ATOM 0 HB2 SER A 12 -1.898 11.092 -9.509 1.00 0.00 H new ATOM 0 HB3 SER A 12 -0.240 10.773 -9.041 1.00 0.00 H new ATOM 0 HG SER A 12 -0.192 9.387 -11.058 1.00 0.00 H new ATOM 144 N ASN A 13 -2.715 7.249 -10.018 1.00 0.00 N ATOM 145 CA ASN A 13 -2.908 6.162 -10.964 1.00 0.00 C ATOM 146 C ASN A 13 -2.323 4.875 -10.381 1.00 0.00 C ATOM 147 O ASN A 13 -1.484 4.231 -11.009 1.00 0.00 O ATOM 148 CB ASN A 13 -2.196 6.450 -12.287 1.00 0.00 C ATOM 149 CG ASN A 13 -2.852 5.688 -13.440 1.00 0.00 C ATOM 150 OD1 ASN A 13 -3.972 5.214 -13.347 1.00 0.00 O ATOM 151 ND2 ASN A 13 -2.095 5.599 -14.529 1.00 0.00 N ATOM 0 H ASN A 13 -3.508 7.424 -9.401 1.00 0.00 H new ATOM 0 HA ASN A 13 -3.978 6.059 -11.146 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -2.222 7.520 -12.492 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -1.147 6.166 -12.209 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -2.444 5.111 -15.354 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -1.166 6.019 -14.540 1.00 0.00 H new ATOM 158 N MET A 14 -2.789 4.538 -9.187 1.00 0.00 N ATOM 159 CA MET A 14 -2.321 3.338 -8.513 1.00 0.00 C ATOM 160 C MET A 14 -3.241 2.972 -7.347 1.00 0.00 C ATOM 161 O MET A 14 -3.537 3.811 -6.497 1.00 0.00 O ATOM 162 CB MET A 14 -0.901 3.566 -7.992 1.00 0.00 C ATOM 163 CG MET A 14 0.139 3.131 -9.026 1.00 0.00 C ATOM 164 SD MET A 14 1.194 1.867 -8.338 1.00 0.00 S ATOM 165 CE MET A 14 1.557 2.598 -6.750 1.00 0.00 C ATOM 0 H MET A 14 -3.485 5.074 -8.669 1.00 0.00 H new ATOM 0 HA MET A 14 -2.327 2.515 -9.228 1.00 0.00 H new ATOM 0 HB2 MET A 14 -0.762 4.620 -7.753 1.00 0.00 H new ATOM 0 HB3 MET A 14 -0.755 3.008 -7.067 1.00 0.00 H new ATOM 0 HG2 MET A 14 -0.360 2.753 -9.919 1.00 0.00 H new ATOM 0 HG3 MET A 14 0.738 3.988 -9.334 1.00 0.00 H new ATOM 0 HE1 MET A 14 2.559 2.305 -6.435 1.00 0.00 H new ATOM 0 HE2 MET A 14 1.505 3.684 -6.829 1.00 0.00 H new ATOM 0 HE3 MET A 14 0.830 2.252 -6.015 1.00 0.00 H new ATOM 175 N LYS A 15 -3.668 1.717 -7.343 1.00 0.00 N ATOM 176 CA LYS A 15 -4.548 1.229 -6.295 1.00 0.00 C ATOM 177 C LYS A 15 -3.705 0.706 -5.130 1.00 0.00 C ATOM 178 O LYS A 15 -2.895 -0.203 -5.304 1.00 0.00 O ATOM 179 CB LYS A 15 -5.529 0.198 -6.856 1.00 0.00 C ATOM 180 CG LYS A 15 -6.892 0.834 -7.136 1.00 0.00 C ATOM 181 CD LYS A 15 -7.557 0.190 -8.354 1.00 0.00 C ATOM 182 CE LYS A 15 -9.069 0.070 -8.154 1.00 0.00 C ATOM 183 NZ LYS A 15 -9.793 0.808 -9.213 1.00 0.00 N ATOM 0 H LYS A 15 -3.421 1.024 -8.049 1.00 0.00 H new ATOM 0 HA LYS A 15 -5.163 2.040 -5.905 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.127 -0.229 -7.775 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.645 -0.622 -6.147 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -7.536 0.722 -6.264 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.770 1.904 -7.307 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -7.350 0.786 -9.243 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -7.130 -0.798 -8.526 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -9.361 -0.980 -8.170 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -9.345 0.463 -7.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -10.818 0.716 -9.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -9.527 1.813 -9.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -9.544 0.415 -10.143 1.00 0.00 H new ATOM 197 N ILE A 16 -3.925 1.303 -3.967 1.00 0.00 N ATOM 198 CA ILE A 16 -3.196 0.908 -2.774 1.00 0.00 C ATOM 199 C ILE A 16 -4.119 0.097 -1.862 1.00 0.00 C ATOM 200 O ILE A 16 -5.287 0.442 -1.690 1.00 0.00 O ATOM 201 CB ILE A 16 -2.580 2.132 -2.093 1.00 0.00 C ATOM 202 CG1 ILE A 16 -1.542 2.798 -2.998 1.00 0.00 C ATOM 203 CG2 ILE A 16 -1.998 1.765 -0.727 1.00 0.00 C ATOM 204 CD1 ILE A 16 -2.195 3.354 -4.266 1.00 0.00 C ATOM 0 H ILE A 16 -4.598 2.057 -3.826 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.358 0.262 -3.036 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.372 2.861 -1.920 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.046 3.604 -2.457 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.773 2.075 -3.268 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.567 2.653 -0.265 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.789 1.371 -0.088 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.223 1.009 -0.853 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -1.435 3.822 -4.892 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -2.669 2.542 -4.817 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.947 4.095 -3.993 1.00 0.00 H new ATOM 216 N LEU A 17 -3.560 -0.966 -1.303 1.00 0.00 N ATOM 217 CA LEU A 17 -4.319 -1.829 -0.413 1.00 0.00 C ATOM 218 C LEU A 17 -3.830 -1.630 1.023 1.00 0.00 C ATOM 219 O LEU A 17 -2.748 -1.089 1.244 1.00 0.00 O ATOM 220 CB LEU A 17 -4.252 -3.282 -0.890 1.00 0.00 C ATOM 221 CG LEU A 17 -5.430 -4.173 -0.492 1.00 0.00 C ATOM 222 CD1 LEU A 17 -5.190 -4.822 0.872 1.00 0.00 C ATOM 223 CD2 LEU A 17 -6.746 -3.394 -0.534 1.00 0.00 C ATOM 0 H LEU A 17 -2.591 -1.250 -1.449 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.375 -1.560 -0.431 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.172 -3.283 -1.977 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.337 -3.729 -0.502 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.511 -4.979 -1.222 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.042 -5.450 1.131 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.288 -5.433 0.831 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.068 -4.046 1.628 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -7.567 -4.051 -0.247 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -6.694 -2.554 0.159 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -6.916 -3.021 -1.544 1.00 0.00 H new ATOM 235 N THR A 18 -4.650 -2.079 1.961 1.00 0.00 N ATOM 236 CA THR A 18 -4.315 -1.957 3.369 1.00 0.00 C ATOM 237 C THR A 18 -4.739 -3.216 4.129 1.00 0.00 C ATOM 238 O THR A 18 -5.722 -3.861 3.770 1.00 0.00 O ATOM 239 CB THR A 18 -4.965 -0.679 3.901 1.00 0.00 C ATOM 240 OG1 THR A 18 -6.353 -0.858 3.634 1.00 0.00 O ATOM 241 CG2 THR A 18 -4.584 0.556 3.083 1.00 0.00 C ATOM 0 H THR A 18 -5.546 -2.528 1.773 1.00 0.00 H new ATOM 0 HA THR A 18 -3.238 -1.875 3.513 1.00 0.00 H new ATOM 0 HB THR A 18 -4.673 -0.530 4.941 1.00 0.00 H new ATOM 0 HG1 THR A 18 -6.850 -0.075 3.949 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.072 1.435 3.503 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.503 0.692 3.112 1.00 0.00 H new ATOM 0 HG23 THR A 18 -4.905 0.421 2.050 1.00 0.00 H new ATOM 249 N LEU A 19 -3.975 -3.528 5.166 1.00 0.00 N ATOM 250 CA LEU A 19 -4.258 -4.698 5.980 1.00 0.00 C ATOM 251 C LEU A 19 -3.933 -4.388 7.442 1.00 0.00 C ATOM 252 O LEU A 19 -2.992 -3.648 7.729 1.00 0.00 O ATOM 253 CB LEU A 19 -3.523 -5.922 5.432 1.00 0.00 C ATOM 254 CG LEU A 19 -4.403 -7.099 5.006 1.00 0.00 C ATOM 255 CD1 LEU A 19 -3.607 -8.106 4.174 1.00 0.00 C ATOM 256 CD2 LEU A 19 -5.066 -7.754 6.219 1.00 0.00 C ATOM 0 H LEU A 19 -3.160 -2.990 5.461 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.319 -4.946 5.935 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.928 -5.610 4.574 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.825 -6.273 6.193 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.201 -6.716 4.370 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.256 -8.932 3.884 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.223 -7.616 3.280 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.774 -8.488 4.764 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.686 -8.588 5.889 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.298 -8.120 6.900 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.687 -7.021 6.734 1.00 0.00 H new ATOM 268 N GLY A 20 -4.728 -4.968 8.328 1.00 0.00 N ATOM 269 CA GLY A 20 -4.536 -4.763 9.754 1.00 0.00 C ATOM 270 C GLY A 20 -4.940 -3.345 10.163 1.00 0.00 C ATOM 271 O GLY A 20 -5.838 -2.755 9.565 1.00 0.00 O ATOM 0 H GLY A 20 -5.507 -5.580 8.086 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -5.127 -5.489 10.312 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -3.491 -4.936 10.013 1.00 0.00 H new ATOM 275 N LYS A 21 -4.256 -2.840 11.179 1.00 0.00 N ATOM 276 CA LYS A 21 -4.532 -1.502 11.675 1.00 0.00 C ATOM 277 C LYS A 21 -3.252 -0.665 11.612 1.00 0.00 C ATOM 278 O LYS A 21 -2.221 -1.061 12.152 1.00 0.00 O ATOM 279 CB LYS A 21 -5.156 -1.566 13.070 1.00 0.00 C ATOM 280 CG LYS A 21 -5.467 -0.163 13.597 1.00 0.00 C ATOM 281 CD LYS A 21 -6.474 -0.220 14.748 1.00 0.00 C ATOM 282 CE LYS A 21 -6.464 1.083 15.549 1.00 0.00 C ATOM 283 NZ LYS A 21 -7.351 0.972 16.729 1.00 0.00 N ATOM 0 H LYS A 21 -3.512 -3.333 11.672 1.00 0.00 H new ATOM 0 HA LYS A 21 -5.269 -1.006 11.043 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.071 -2.157 13.036 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -4.475 -2.073 13.754 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -4.548 0.314 13.937 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -5.866 0.452 12.790 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.474 -0.401 14.353 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -6.235 -1.057 15.404 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -5.448 1.312 15.871 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -6.791 1.908 14.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -7.333 1.865 17.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.323 0.776 16.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -7.021 0.198 17.340 1.00 0.00 H new ATOM 297 N LEU A 22 -3.362 0.476 10.947 1.00 0.00 N ATOM 298 CA LEU A 22 -2.226 1.371 10.806 1.00 0.00 C ATOM 299 C LEU A 22 -2.341 2.499 11.834 1.00 0.00 C ATOM 300 O LEU A 22 -3.383 2.664 12.466 1.00 0.00 O ATOM 301 CB LEU A 22 -2.109 1.865 9.363 1.00 0.00 C ATOM 302 CG LEU A 22 -2.076 0.781 8.284 1.00 0.00 C ATOM 303 CD1 LEU A 22 -2.773 1.256 7.007 1.00 0.00 C ATOM 304 CD2 LEU A 22 -0.643 0.317 8.015 1.00 0.00 C ATOM 0 H LEU A 22 -4.220 0.801 10.500 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.296 0.842 11.014 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.949 2.529 9.158 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.202 2.463 9.277 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.630 -0.082 8.652 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.735 0.466 6.257 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.813 1.497 7.228 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.268 2.144 6.626 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.649 -0.454 7.244 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.044 1.163 7.678 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.214 -0.089 8.931 1.00 0.00 H new ATOM 316 N SER A 23 -1.255 3.246 11.970 1.00 0.00 N ATOM 317 CA SER A 23 -1.221 4.353 12.910 1.00 0.00 C ATOM 318 C SER A 23 -2.452 5.240 12.719 1.00 0.00 C ATOM 319 O SER A 23 -3.108 5.615 13.690 1.00 0.00 O ATOM 320 CB SER A 23 0.058 5.176 12.745 1.00 0.00 C ATOM 321 OG SER A 23 0.077 6.311 13.607 1.00 0.00 O ATOM 0 H SER A 23 -0.392 3.106 11.445 1.00 0.00 H new ATOM 0 HA SER A 23 -1.230 3.944 13.920 1.00 0.00 H new ATOM 0 HB2 SER A 23 0.923 4.547 12.954 1.00 0.00 H new ATOM 0 HB3 SER A 23 0.146 5.505 11.710 1.00 0.00 H new ATOM 0 HG SER A 23 0.910 6.810 13.473 1.00 0.00 H new ATOM 327 N ARG A 24 -2.729 5.550 11.461 1.00 0.00 N ATOM 328 CA ARG A 24 -3.870 6.387 11.130 1.00 0.00 C ATOM 329 C ARG A 24 -5.117 5.525 10.922 1.00 0.00 C ATOM 330 O ARG A 24 -5.043 4.298 10.968 1.00 0.00 O ATOM 331 CB ARG A 24 -3.605 7.204 9.864 1.00 0.00 C ATOM 332 CG ARG A 24 -2.687 8.391 10.159 1.00 0.00 C ATOM 333 CD ARG A 24 -3.234 9.676 9.534 1.00 0.00 C ATOM 334 NE ARG A 24 -2.254 10.774 9.696 1.00 0.00 N ATOM 335 CZ ARG A 24 -2.439 12.019 9.237 1.00 0.00 C ATOM 336 NH1 ARG A 24 -3.568 12.332 8.585 1.00 0.00 N ATOM 337 NH2 ARG A 24 -1.496 12.951 9.429 1.00 0.00 N ATOM 0 H ARG A 24 -2.183 5.237 10.659 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.032 7.072 11.962 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -3.150 6.568 9.105 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -4.549 7.563 9.454 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -2.588 8.520 11.237 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -1.689 8.189 9.770 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -3.442 9.516 8.476 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -4.178 9.947 10.007 1.00 0.00 H new ATOM 0 HE ARG A 24 -1.384 10.570 10.188 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -4.286 11.622 8.439 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -3.709 13.280 8.235 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -0.637 12.713 9.925 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -1.637 13.899 9.079 1.00 0.00 H new ATOM 351 N ASN A 25 -6.234 6.202 10.697 1.00 0.00 N ATOM 352 CA ASN A 25 -7.495 5.513 10.481 1.00 0.00 C ATOM 353 C ASN A 25 -7.661 5.217 8.989 1.00 0.00 C ATOM 354 O ASN A 25 -7.149 5.952 8.146 1.00 0.00 O ATOM 355 CB ASN A 25 -8.677 6.377 10.927 1.00 0.00 C ATOM 356 CG ASN A 25 -8.767 6.438 12.453 1.00 0.00 C ATOM 357 OD1 ASN A 25 -9.401 5.618 13.097 1.00 0.00 O ATOM 358 ND2 ASN A 25 -8.099 7.453 12.993 1.00 0.00 N ATOM 0 H ASN A 25 -6.292 7.220 10.660 1.00 0.00 H new ATOM 0 HA ASN A 25 -7.481 4.592 11.064 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -8.568 7.384 10.525 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -9.603 5.970 10.521 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -8.097 7.581 14.005 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -7.589 8.103 12.395 1.00 0.00 H new ATOM 365 N LYS A 26 -8.379 4.139 8.709 1.00 0.00 N ATOM 366 CA LYS A 26 -8.619 3.737 7.333 1.00 0.00 C ATOM 367 C LYS A 26 -8.910 4.979 6.487 1.00 0.00 C ATOM 368 O LYS A 26 -8.174 5.282 5.550 1.00 0.00 O ATOM 369 CB LYS A 26 -9.720 2.677 7.269 1.00 0.00 C ATOM 370 CG LYS A 26 -9.189 1.369 6.680 1.00 0.00 C ATOM 371 CD LYS A 26 -10.335 0.487 6.182 1.00 0.00 C ATOM 372 CE LYS A 26 -9.899 -0.351 4.978 1.00 0.00 C ATOM 373 NZ LYS A 26 -11.043 -1.118 4.438 1.00 0.00 N ATOM 0 H LYS A 26 -8.802 3.532 9.411 1.00 0.00 H new ATOM 0 HA LYS A 26 -7.730 3.266 6.913 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -10.114 2.496 8.269 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -10.548 3.044 6.662 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -8.509 1.587 5.857 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -8.614 0.833 7.435 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -10.668 -0.170 6.985 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -11.185 1.111 5.907 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -9.492 0.299 4.204 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -9.102 -1.034 5.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -10.729 -1.681 3.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -11.414 -1.752 5.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -11.791 -0.461 4.138 1.00 0.00 H new ATOM 387 N ASP A 27 -9.985 5.663 6.849 1.00 0.00 N ATOM 388 CA ASP A 27 -10.382 6.864 6.134 1.00 0.00 C ATOM 389 C ASP A 27 -9.153 7.745 5.902 1.00 0.00 C ATOM 390 O ASP A 27 -8.746 7.960 4.761 1.00 0.00 O ATOM 391 CB ASP A 27 -11.398 7.675 6.942 1.00 0.00 C ATOM 392 CG ASP A 27 -12.708 6.947 7.251 1.00 0.00 C ATOM 393 OD1 ASP A 27 -12.824 5.780 6.818 1.00 0.00 O ATOM 394 OD2 ASP A 27 -13.563 7.575 7.911 1.00 0.00 O ATOM 0 H ASP A 27 -10.593 5.409 7.627 1.00 0.00 H new ATOM 0 HA ASP A 27 -10.831 6.560 5.189 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -10.936 7.974 7.883 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -11.628 8.589 6.395 1.00 0.00 H new ATOM 399 N GLU A 28 -8.595 8.229 7.001 1.00 0.00 N ATOM 400 CA GLU A 28 -7.419 9.081 6.931 1.00 0.00 C ATOM 401 C GLU A 28 -6.462 8.576 5.850 1.00 0.00 C ATOM 402 O GLU A 28 -5.883 9.369 5.109 1.00 0.00 O ATOM 403 CB GLU A 28 -6.719 9.162 8.289 1.00 0.00 C ATOM 404 CG GLU A 28 -7.573 9.928 9.301 1.00 0.00 C ATOM 405 CD GLU A 28 -6.724 10.929 10.089 1.00 0.00 C ATOM 406 OE1 GLU A 28 -6.172 11.841 9.437 1.00 0.00 O ATOM 407 OE2 GLU A 28 -6.646 10.758 11.324 1.00 0.00 O ATOM 0 H GLU A 28 -8.935 8.048 7.946 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.739 10.088 6.664 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.522 8.157 8.661 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.753 9.655 8.176 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.374 10.454 8.782 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.046 9.226 9.988 1.00 0.00 H new ATOM 414 N VAL A 29 -6.324 7.260 5.794 1.00 0.00 N ATOM 415 CA VAL A 29 -5.447 6.640 4.815 1.00 0.00 C ATOM 416 C VAL A 29 -6.110 6.691 3.437 1.00 0.00 C ATOM 417 O VAL A 29 -5.515 7.174 2.475 1.00 0.00 O ATOM 418 CB VAL A 29 -5.093 5.218 5.256 1.00 0.00 C ATOM 419 CG1 VAL A 29 -4.283 4.496 4.178 1.00 0.00 C ATOM 420 CG2 VAL A 29 -4.344 5.228 6.590 1.00 0.00 C ATOM 0 H VAL A 29 -6.805 6.605 6.411 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.507 7.188 4.744 1.00 0.00 H new ATOM 0 HB VAL A 29 -6.024 4.670 5.399 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -4.044 3.488 4.516 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.867 4.442 3.259 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -3.360 5.043 3.989 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -4.104 4.205 6.880 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.423 5.801 6.486 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -4.971 5.685 7.356 1.00 0.00 H new ATOM 430 N LYS A 30 -7.334 6.186 3.386 1.00 0.00 N ATOM 431 CA LYS A 30 -8.084 6.167 2.141 1.00 0.00 C ATOM 432 C LYS A 30 -8.023 7.552 1.494 1.00 0.00 C ATOM 433 O LYS A 30 -8.072 7.672 0.270 1.00 0.00 O ATOM 434 CB LYS A 30 -9.509 5.664 2.382 1.00 0.00 C ATOM 435 CG LYS A 30 -10.387 5.896 1.151 1.00 0.00 C ATOM 436 CD LYS A 30 -11.871 5.774 1.506 1.00 0.00 C ATOM 437 CE LYS A 30 -12.515 4.597 0.771 1.00 0.00 C ATOM 438 NZ LYS A 30 -13.947 4.485 1.128 1.00 0.00 N ATOM 0 H LYS A 30 -7.825 5.787 4.186 1.00 0.00 H new ATOM 0 HA LYS A 30 -7.637 5.465 1.437 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -9.488 4.601 2.623 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -9.939 6.177 3.242 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -10.188 6.885 0.739 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -10.134 5.171 0.377 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -11.981 5.640 2.582 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -12.388 6.697 1.245 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -12.412 4.732 -0.306 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -11.997 3.673 1.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -14.369 3.681 0.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -14.038 4.334 2.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -14.441 5.361 0.861 1.00 0.00 H new ATOM 452 N ALA A 31 -7.916 8.563 2.343 1.00 0.00 N ATOM 453 CA ALA A 31 -7.847 9.935 1.869 1.00 0.00 C ATOM 454 C ALA A 31 -6.452 10.204 1.300 1.00 0.00 C ATOM 455 O ALA A 31 -6.319 10.761 0.211 1.00 0.00 O ATOM 456 CB ALA A 31 -8.205 10.889 3.010 1.00 0.00 C ATOM 0 H ALA A 31 -7.875 8.460 3.357 1.00 0.00 H new ATOM 0 HA ALA A 31 -8.568 10.101 1.068 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.153 11.918 2.654 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -9.216 10.676 3.359 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -7.502 10.754 3.832 1.00 0.00 H new ATOM 462 N MET A 32 -5.448 9.797 2.063 1.00 0.00 N ATOM 463 CA MET A 32 -4.069 9.987 1.648 1.00 0.00 C ATOM 464 C MET A 32 -3.818 9.362 0.275 1.00 0.00 C ATOM 465 O MET A 32 -3.577 10.072 -0.700 1.00 0.00 O ATOM 466 CB MET A 32 -3.134 9.350 2.678 1.00 0.00 C ATOM 467 CG MET A 32 -2.551 10.408 3.618 1.00 0.00 C ATOM 468 SD MET A 32 -1.356 11.407 2.747 1.00 0.00 S ATOM 469 CE MET A 32 0.136 10.915 3.595 1.00 0.00 C ATOM 0 H MET A 32 -5.562 9.337 2.966 1.00 0.00 H new ATOM 0 HA MET A 32 -3.874 11.057 1.580 1.00 0.00 H new ATOM 0 HB2 MET A 32 -3.679 8.605 3.257 1.00 0.00 H new ATOM 0 HB3 MET A 32 -2.326 8.828 2.167 1.00 0.00 H new ATOM 0 HG2 MET A 32 -3.349 11.039 4.008 1.00 0.00 H new ATOM 0 HG3 MET A 32 -2.079 9.925 4.474 1.00 0.00 H new ATOM 0 HE1 MET A 32 0.528 11.760 4.162 1.00 0.00 H new ATOM 0 HE2 MET A 32 -0.086 10.093 4.276 1.00 0.00 H new ATOM 0 HE3 MET A 32 0.879 10.591 2.866 1.00 0.00 H new ATOM 479 N ILE A 33 -3.882 8.039 0.242 1.00 0.00 N ATOM 480 CA ILE A 33 -3.665 7.309 -0.996 1.00 0.00 C ATOM 481 C ILE A 33 -4.347 8.052 -2.147 1.00 0.00 C ATOM 482 O ILE A 33 -3.883 8.000 -3.285 1.00 0.00 O ATOM 483 CB ILE A 33 -4.117 5.855 -0.848 1.00 0.00 C ATOM 484 CG1 ILE A 33 -3.274 5.122 0.197 1.00 0.00 C ATOM 485 CG2 ILE A 33 -4.107 5.138 -2.199 1.00 0.00 C ATOM 486 CD1 ILE A 33 -4.017 3.903 0.745 1.00 0.00 C ATOM 0 H ILE A 33 -4.081 7.453 1.053 1.00 0.00 H new ATOM 0 HA ILE A 33 -2.601 7.264 -1.231 1.00 0.00 H new ATOM 0 HB ILE A 33 -5.146 5.852 -0.490 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.330 4.807 -0.248 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.030 5.801 1.014 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -4.432 4.106 -2.066 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.784 5.646 -2.886 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.097 5.150 -2.610 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -3.395 3.401 1.486 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -4.949 4.224 1.211 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -4.238 3.214 -0.071 1.00 0.00 H new ATOM 498 N GLU A 34 -5.438 8.725 -1.811 1.00 0.00 N ATOM 499 CA GLU A 34 -6.188 9.476 -2.802 1.00 0.00 C ATOM 500 C GLU A 34 -5.545 10.846 -3.028 1.00 0.00 C ATOM 501 O GLU A 34 -5.384 11.279 -4.168 1.00 0.00 O ATOM 502 CB GLU A 34 -7.654 9.621 -2.386 1.00 0.00 C ATOM 503 CG GLU A 34 -8.451 8.365 -2.743 1.00 0.00 C ATOM 504 CD GLU A 34 -9.889 8.720 -3.128 1.00 0.00 C ATOM 505 OE1 GLU A 34 -10.733 8.751 -2.206 1.00 0.00 O ATOM 506 OE2 GLU A 34 -10.112 8.953 -4.336 1.00 0.00 O ATOM 0 H GLU A 34 -5.820 8.765 -0.866 1.00 0.00 H new ATOM 0 HA GLU A 34 -6.164 8.925 -3.742 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -7.715 9.802 -1.313 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -8.092 10.487 -2.881 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -7.967 7.845 -3.570 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -8.456 7.680 -1.895 1.00 0.00 H new ATOM 513 N LYS A 35 -5.194 11.489 -1.924 1.00 0.00 N ATOM 514 CA LYS A 35 -4.572 12.801 -1.988 1.00 0.00 C ATOM 515 C LYS A 35 -3.295 12.715 -2.827 1.00 0.00 C ATOM 516 O LYS A 35 -2.943 13.662 -3.528 1.00 0.00 O ATOM 517 CB LYS A 35 -4.347 13.356 -0.581 1.00 0.00 C ATOM 518 CG LYS A 35 -2.951 12.999 -0.067 1.00 0.00 C ATOM 519 CD LYS A 35 -1.939 14.089 -0.426 1.00 0.00 C ATOM 520 CE LYS A 35 -2.330 15.428 0.201 1.00 0.00 C ATOM 521 NZ LYS A 35 -1.135 16.281 0.388 1.00 0.00 N ATOM 0 H LYS A 35 -5.328 11.126 -0.980 1.00 0.00 H new ATOM 0 HA LYS A 35 -5.233 13.512 -2.484 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -4.469 14.439 -0.590 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -5.101 12.956 0.097 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.981 12.867 1.015 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.634 12.048 -0.495 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.947 13.797 -0.080 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.881 14.194 -1.509 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -3.052 15.938 -0.437 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.817 15.258 1.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.418 17.186 0.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -0.459 15.799 1.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.687 16.458 -0.534 1.00 0.00 H new ATOM 535 N LEU A 36 -2.636 11.569 -2.727 1.00 0.00 N ATOM 536 CA LEU A 36 -1.406 11.347 -3.467 1.00 0.00 C ATOM 537 C LEU A 36 -1.743 11.036 -4.927 1.00 0.00 C ATOM 538 O LEU A 36 -0.855 10.989 -5.777 1.00 0.00 O ATOM 539 CB LEU A 36 -0.560 10.268 -2.789 1.00 0.00 C ATOM 540 CG LEU A 36 0.310 10.734 -1.619 1.00 0.00 C ATOM 541 CD1 LEU A 36 0.977 12.074 -1.933 1.00 0.00 C ATOM 542 CD2 LEU A 36 -0.499 10.786 -0.321 1.00 0.00 C ATOM 0 H LEU A 36 -2.931 10.785 -2.145 1.00 0.00 H new ATOM 0 HA LEU A 36 -0.793 12.248 -3.465 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.227 9.484 -2.430 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.088 9.817 -3.540 1.00 0.00 H new ATOM 0 HG LEU A 36 1.106 10.004 -1.473 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.589 12.383 -1.086 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.606 11.969 -2.817 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.211 12.827 -2.121 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.143 11.120 0.494 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.330 11.482 -0.438 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.887 9.793 -0.094 1.00 0.00 H new ATOM 554 N GLY A 37 -3.029 10.833 -5.174 1.00 0.00 N ATOM 555 CA GLY A 37 -3.495 10.528 -6.516 1.00 0.00 C ATOM 556 C GLY A 37 -3.943 9.069 -6.623 1.00 0.00 C ATOM 557 O GLY A 37 -4.734 8.721 -7.498 1.00 0.00 O ATOM 0 H GLY A 37 -3.763 10.874 -4.467 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -4.324 11.187 -6.775 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -2.698 10.721 -7.234 1.00 0.00 H new ATOM 561 N GLY A 38 -3.417 8.254 -5.720 1.00 0.00 N ATOM 562 CA GLY A 38 -3.752 6.841 -5.702 1.00 0.00 C ATOM 563 C GLY A 38 -5.228 6.632 -5.356 1.00 0.00 C ATOM 564 O GLY A 38 -6.029 7.561 -5.450 1.00 0.00 O ATOM 0 H GLY A 38 -2.761 8.546 -4.996 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -3.537 6.400 -6.675 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -3.127 6.325 -4.973 1.00 0.00 H new ATOM 568 N LYS A 39 -5.543 5.407 -4.962 1.00 0.00 N ATOM 569 CA LYS A 39 -6.908 5.064 -4.602 1.00 0.00 C ATOM 570 C LYS A 39 -6.904 3.783 -3.765 1.00 0.00 C ATOM 571 O LYS A 39 -6.288 2.790 -4.148 1.00 0.00 O ATOM 572 CB LYS A 39 -7.787 4.980 -5.851 1.00 0.00 C ATOM 573 CG LYS A 39 -8.350 6.354 -6.219 1.00 0.00 C ATOM 574 CD LYS A 39 -7.727 6.872 -7.517 1.00 0.00 C ATOM 575 CE LYS A 39 -8.800 7.118 -8.580 1.00 0.00 C ATOM 576 NZ LYS A 39 -9.409 8.455 -8.401 1.00 0.00 N ATOM 0 H LYS A 39 -4.876 4.639 -4.884 1.00 0.00 H new ATOM 0 HA LYS A 39 -7.347 5.847 -3.984 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.204 4.587 -6.684 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -8.606 4.282 -5.677 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -9.432 6.289 -6.331 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -8.155 7.059 -5.411 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -7.186 7.797 -7.321 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -7.000 6.150 -7.889 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -8.360 7.042 -9.574 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -9.570 6.349 -8.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -10.135 8.606 -9.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -9.847 8.514 -7.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -8.674 9.186 -8.488 1.00 0.00 H new ATOM 590 N LEU A 40 -7.599 3.847 -2.639 1.00 0.00 N ATOM 591 CA LEU A 40 -7.683 2.705 -1.745 1.00 0.00 C ATOM 592 C LEU A 40 -8.620 1.657 -2.350 1.00 0.00 C ATOM 593 O LEU A 40 -9.687 1.995 -2.861 1.00 0.00 O ATOM 594 CB LEU A 40 -8.088 3.153 -0.339 1.00 0.00 C ATOM 595 CG LEU A 40 -7.915 2.115 0.771 1.00 0.00 C ATOM 596 CD1 LEU A 40 -6.976 2.632 1.863 1.00 0.00 C ATOM 597 CD2 LEU A 40 -9.270 1.685 1.336 1.00 0.00 C ATOM 0 H LEU A 40 -8.109 4.672 -2.325 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.706 2.235 -1.635 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.504 4.036 -0.078 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.134 3.459 -0.364 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.450 1.228 0.340 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.870 1.875 2.640 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.999 2.847 1.431 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.389 3.542 2.297 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.118 0.947 2.123 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.785 2.553 1.747 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.874 1.248 0.541 1.00 0.00 H new ATOM 609 N THR A 41 -8.187 0.408 -2.273 1.00 0.00 N ATOM 610 CA THR A 41 -8.973 -0.691 -2.807 1.00 0.00 C ATOM 611 C THR A 41 -9.243 -1.732 -1.718 1.00 0.00 C ATOM 612 O THR A 41 -8.667 -1.665 -0.634 1.00 0.00 O ATOM 613 CB THR A 41 -8.231 -1.259 -4.019 1.00 0.00 C ATOM 614 OG1 THR A 41 -9.018 -2.379 -4.415 1.00 0.00 O ATOM 615 CG2 THR A 41 -6.878 -1.867 -3.645 1.00 0.00 C ATOM 0 H THR A 41 -7.301 0.132 -1.849 1.00 0.00 H new ATOM 0 HA THR A 41 -9.954 -0.351 -3.139 1.00 0.00 H new ATOM 0 HB THR A 41 -8.083 -0.470 -4.756 1.00 0.00 H new ATOM 0 HG1 THR A 41 -8.609 -2.806 -5.197 1.00 0.00 H new ATOM 0 HG21 THR A 41 -6.393 -2.255 -4.541 1.00 0.00 H new ATOM 0 HG22 THR A 41 -6.247 -1.101 -3.194 1.00 0.00 H new ATOM 0 HG23 THR A 41 -7.028 -2.679 -2.933 1.00 0.00 H new ATOM 623 N GLY A 42 -10.120 -2.670 -2.046 1.00 0.00 N ATOM 624 CA GLY A 42 -10.474 -3.723 -1.109 1.00 0.00 C ATOM 625 C GLY A 42 -9.753 -5.027 -1.453 1.00 0.00 C ATOM 626 O GLY A 42 -9.287 -5.737 -0.563 1.00 0.00 O ATOM 0 H GLY A 42 -10.596 -2.723 -2.947 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -10.214 -3.416 -0.096 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -11.552 -3.884 -1.127 1.00 0.00 H new ATOM 630 N THR A 43 -9.682 -5.304 -2.747 1.00 0.00 N ATOM 631 CA THR A 43 -9.025 -6.511 -3.220 1.00 0.00 C ATOM 632 C THR A 43 -7.509 -6.310 -3.264 1.00 0.00 C ATOM 633 O THR A 43 -7.032 -5.215 -3.556 1.00 0.00 O ATOM 634 CB THR A 43 -9.629 -6.877 -4.577 1.00 0.00 C ATOM 635 OG1 THR A 43 -10.888 -7.459 -4.251 1.00 0.00 O ATOM 636 CG2 THR A 43 -8.865 -8.006 -5.272 1.00 0.00 C ATOM 0 H THR A 43 -10.069 -4.713 -3.483 1.00 0.00 H new ATOM 0 HA THR A 43 -9.191 -7.345 -2.538 1.00 0.00 H new ATOM 0 HB THR A 43 -9.639 -5.996 -5.219 1.00 0.00 H new ATOM 0 HG1 THR A 43 -11.349 -7.724 -5.074 1.00 0.00 H new ATOM 0 HG21 THR A 43 -9.335 -8.227 -6.231 1.00 0.00 H new ATOM 0 HG22 THR A 43 -7.832 -7.699 -5.436 1.00 0.00 H new ATOM 0 HG23 THR A 43 -8.883 -8.897 -4.645 1.00 0.00 H new ATOM 644 N ALA A 44 -6.793 -7.386 -2.968 1.00 0.00 N ATOM 645 CA ALA A 44 -5.341 -7.341 -2.970 1.00 0.00 C ATOM 646 C ALA A 44 -4.828 -7.638 -4.381 1.00 0.00 C ATOM 647 O ALA A 44 -3.941 -6.948 -4.880 1.00 0.00 O ATOM 648 CB ALA A 44 -4.799 -8.327 -1.933 1.00 0.00 C ATOM 0 H ALA A 44 -7.192 -8.293 -2.726 1.00 0.00 H new ATOM 0 HA ALA A 44 -4.987 -6.348 -2.693 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.710 -8.294 -1.934 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -5.169 -8.056 -0.944 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -5.131 -9.335 -2.181 1.00 0.00 H new ATOM 654 N ASN A 45 -5.408 -8.665 -4.983 1.00 0.00 N ATOM 655 CA ASN A 45 -5.021 -9.061 -6.326 1.00 0.00 C ATOM 656 C ASN A 45 -5.412 -7.958 -7.312 1.00 0.00 C ATOM 657 O ASN A 45 -5.004 -7.984 -8.472 1.00 0.00 O ATOM 658 CB ASN A 45 -5.734 -10.347 -6.749 1.00 0.00 C ATOM 659 CG ASN A 45 -4.832 -11.209 -7.634 1.00 0.00 C ATOM 660 OD1 ASN A 45 -3.702 -10.864 -7.936 1.00 0.00 O ATOM 661 ND2 ASN A 45 -5.394 -12.347 -8.033 1.00 0.00 N ATOM 0 H ASN A 45 -6.143 -9.235 -4.565 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.944 -9.228 -6.330 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -6.028 -10.912 -5.864 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -6.649 -10.099 -7.288 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -4.874 -12.991 -8.628 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -6.345 -12.575 -7.743 1.00 0.00 H new ATOM 668 N LYS A 46 -6.199 -7.016 -6.813 1.00 0.00 N ATOM 669 CA LYS A 46 -6.650 -5.905 -7.635 1.00 0.00 C ATOM 670 C LYS A 46 -6.082 -4.599 -7.076 1.00 0.00 C ATOM 671 O LYS A 46 -6.761 -3.573 -7.077 1.00 0.00 O ATOM 672 CB LYS A 46 -8.175 -5.912 -7.755 1.00 0.00 C ATOM 673 CG LYS A 46 -8.665 -4.727 -8.589 1.00 0.00 C ATOM 674 CD LYS A 46 -9.405 -5.205 -9.839 1.00 0.00 C ATOM 675 CE LYS A 46 -10.713 -4.435 -10.031 1.00 0.00 C ATOM 676 NZ LYS A 46 -10.448 -2.983 -10.139 1.00 0.00 N ATOM 0 H LYS A 46 -6.536 -6.999 -5.850 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.273 -6.006 -8.653 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -8.503 -6.845 -8.214 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.622 -5.871 -6.762 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -9.326 -4.103 -7.987 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -7.817 -4.107 -8.879 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -8.769 -5.073 -10.715 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -9.616 -6.271 -9.756 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -11.220 -4.786 -10.930 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -11.382 -4.627 -9.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -11.200 -2.533 -10.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -10.426 -2.562 -9.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -9.531 -2.831 -10.606 1.00 0.00 H new ATOM 690 N ALA A 47 -4.844 -4.680 -6.612 1.00 0.00 N ATOM 691 CA ALA A 47 -4.178 -3.517 -6.051 1.00 0.00 C ATOM 692 C ALA A 47 -2.762 -3.420 -6.623 1.00 0.00 C ATOM 693 O ALA A 47 -2.195 -4.421 -7.058 1.00 0.00 O ATOM 694 CB ALA A 47 -4.185 -3.611 -4.524 1.00 0.00 C ATOM 0 H ALA A 47 -4.285 -5.533 -6.613 1.00 0.00 H new ATOM 0 HA ALA A 47 -4.707 -2.604 -6.323 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.685 -2.738 -4.103 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -5.214 -3.647 -4.166 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.661 -4.514 -4.213 1.00 0.00 H new ATOM 700 N SER A 48 -2.232 -2.206 -6.604 1.00 0.00 N ATOM 701 CA SER A 48 -0.893 -1.966 -7.115 1.00 0.00 C ATOM 702 C SER A 48 0.124 -2.047 -5.976 1.00 0.00 C ATOM 703 O SER A 48 1.276 -2.422 -6.192 1.00 0.00 O ATOM 704 CB SER A 48 -0.805 -0.605 -7.810 1.00 0.00 C ATOM 705 OG SER A 48 -1.840 -0.430 -8.774 1.00 0.00 O ATOM 0 H SER A 48 -2.706 -1.378 -6.243 1.00 0.00 H new ATOM 0 HA SER A 48 -0.665 -2.736 -7.852 1.00 0.00 H new ATOM 0 HB2 SER A 48 -0.866 0.188 -7.064 1.00 0.00 H new ATOM 0 HB3 SER A 48 0.165 -0.509 -8.298 1.00 0.00 H new ATOM 0 HG SER A 48 -1.661 0.375 -9.304 1.00 0.00 H new ATOM 711 N LEU A 49 -0.337 -1.689 -4.786 1.00 0.00 N ATOM 712 CA LEU A 49 0.519 -1.716 -3.612 1.00 0.00 C ATOM 713 C LEU A 49 -0.308 -2.130 -2.393 1.00 0.00 C ATOM 714 O LEU A 49 -1.533 -2.016 -2.402 1.00 0.00 O ATOM 715 CB LEU A 49 1.237 -0.376 -3.442 1.00 0.00 C ATOM 716 CG LEU A 49 1.853 -0.116 -2.065 1.00 0.00 C ATOM 717 CD1 LEU A 49 3.160 -0.892 -1.894 1.00 0.00 C ATOM 718 CD2 LEU A 49 2.041 1.383 -1.823 1.00 0.00 C ATOM 0 H LEU A 49 -1.293 -1.379 -4.610 1.00 0.00 H new ATOM 0 HA LEU A 49 1.306 -2.460 -3.731 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.027 -0.312 -4.190 1.00 0.00 H new ATOM 0 HB3 LEU A 49 0.528 0.424 -3.658 1.00 0.00 H new ATOM 0 HG LEU A 49 1.160 -0.481 -1.306 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.577 -0.690 -0.907 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.965 -1.960 -1.993 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.871 -0.580 -2.659 1.00 0.00 H new ATOM 0 HD21 LEU A 49 2.480 1.540 -0.838 1.00 0.00 H new ATOM 0 HD22 LEU A 49 2.703 1.794 -2.585 1.00 0.00 H new ATOM 0 HD23 LEU A 49 1.074 1.884 -1.873 1.00 0.00 H new ATOM 730 N CYS A 50 0.395 -2.602 -1.374 1.00 0.00 N ATOM 731 CA CYS A 50 -0.259 -3.034 -0.150 1.00 0.00 C ATOM 732 C CYS A 50 0.388 -2.299 1.025 1.00 0.00 C ATOM 733 O CYS A 50 1.611 -2.193 1.098 1.00 0.00 O ATOM 734 CB CYS A 50 -0.194 -4.553 0.021 1.00 0.00 C ATOM 735 SG CYS A 50 -1.214 -5.066 1.450 1.00 0.00 S ATOM 0 H CYS A 50 1.411 -2.695 -1.371 1.00 0.00 H new ATOM 0 HA CYS A 50 -1.319 -2.785 -0.194 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -0.549 -5.045 -0.885 1.00 0.00 H new ATOM 0 HB3 CYS A 50 0.839 -4.867 0.170 1.00 0.00 H new ATOM 0 HG CYS A 50 -0.840 -6.245 1.849 1.00 0.00 H new ATOM 741 N ILE A 51 -0.462 -1.810 1.916 1.00 0.00 N ATOM 742 CA ILE A 51 0.012 -1.088 3.085 1.00 0.00 C ATOM 743 C ILE A 51 -0.437 -1.822 4.349 1.00 0.00 C ATOM 744 O ILE A 51 -1.547 -1.608 4.835 1.00 0.00 O ATOM 745 CB ILE A 51 -0.437 0.374 3.030 1.00 0.00 C ATOM 746 CG1 ILE A 51 0.163 1.087 1.817 1.00 0.00 C ATOM 747 CG2 ILE A 51 -0.113 1.096 4.339 1.00 0.00 C ATOM 748 CD1 ILE A 51 -0.070 2.597 1.898 1.00 0.00 C ATOM 0 H ILE A 51 -1.476 -1.899 1.852 1.00 0.00 H new ATOM 0 HA ILE A 51 1.102 -1.062 3.101 1.00 0.00 H new ATOM 0 HB ILE A 51 -1.520 0.395 2.911 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.232 0.883 1.763 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -0.283 0.695 0.903 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -0.442 2.133 4.274 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -0.628 0.603 5.164 1.00 0.00 H new ATOM 0 HG23 ILE A 51 0.962 1.067 4.514 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.366 3.080 1.024 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -1.141 2.799 1.927 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.398 2.989 2.801 1.00 0.00 H new ATOM 760 N SER A 52 0.449 -2.673 4.847 1.00 0.00 N ATOM 761 CA SER A 52 0.157 -3.441 6.046 1.00 0.00 C ATOM 762 C SER A 52 1.268 -3.240 7.078 1.00 0.00 C ATOM 763 O SER A 52 2.143 -2.394 6.898 1.00 0.00 O ATOM 764 CB SER A 52 -0.005 -4.927 5.723 1.00 0.00 C ATOM 765 OG SER A 52 -0.808 -5.599 6.688 1.00 0.00 O ATOM 0 H SER A 52 1.369 -2.847 4.442 1.00 0.00 H new ATOM 0 HA SER A 52 -0.785 -3.083 6.461 1.00 0.00 H new ATOM 0 HB2 SER A 52 -0.456 -5.036 4.737 1.00 0.00 H new ATOM 0 HB3 SER A 52 0.977 -5.397 5.678 1.00 0.00 H new ATOM 0 HG SER A 52 -1.436 -4.963 7.091 1.00 0.00 H new ATOM 771 N THR A 53 1.198 -4.032 8.138 1.00 0.00 N ATOM 772 CA THR A 53 2.187 -3.952 9.200 1.00 0.00 C ATOM 773 C THR A 53 3.058 -5.210 9.213 1.00 0.00 C ATOM 774 O THR A 53 2.763 -6.181 8.518 1.00 0.00 O ATOM 775 CB THR A 53 1.448 -3.711 10.517 1.00 0.00 C ATOM 776 OG1 THR A 53 0.590 -4.841 10.646 1.00 0.00 O ATOM 777 CG2 THR A 53 0.488 -2.521 10.441 1.00 0.00 C ATOM 0 H THR A 53 0.471 -4.733 8.284 1.00 0.00 H new ATOM 0 HA THR A 53 2.874 -3.121 9.039 1.00 0.00 H new ATOM 0 HB THR A 53 2.173 -3.543 11.314 1.00 0.00 H new ATOM 0 HG1 THR A 53 0.074 -4.767 11.476 1.00 0.00 H new ATOM 0 HG21 THR A 53 -0.011 -2.394 11.402 1.00 0.00 H new ATOM 0 HG22 THR A 53 1.047 -1.617 10.200 1.00 0.00 H new ATOM 0 HG23 THR A 53 -0.257 -2.704 9.667 1.00 0.00 H new ATOM 785 N LYS A 54 4.114 -5.151 10.011 1.00 0.00 N ATOM 786 CA LYS A 54 5.030 -6.273 10.124 1.00 0.00 C ATOM 787 C LYS A 54 4.270 -7.497 10.639 1.00 0.00 C ATOM 788 O LYS A 54 4.384 -8.585 10.078 1.00 0.00 O ATOM 789 CB LYS A 54 6.239 -5.894 10.982 1.00 0.00 C ATOM 790 CG LYS A 54 7.061 -7.131 11.348 1.00 0.00 C ATOM 791 CD LYS A 54 8.524 -6.959 10.936 1.00 0.00 C ATOM 792 CE LYS A 54 8.744 -7.411 9.491 1.00 0.00 C ATOM 793 NZ LYS A 54 10.153 -7.811 9.281 1.00 0.00 N ATOM 0 H LYS A 54 4.356 -4.344 10.586 1.00 0.00 H new ATOM 0 HA LYS A 54 5.432 -6.536 9.146 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.865 -5.184 10.441 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.902 -5.395 11.891 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.000 -7.308 12.422 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.642 -8.009 10.856 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.815 -5.914 11.042 1.00 0.00 H new ATOM 0 HD3 LYS A 54 9.164 -7.537 11.603 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.084 -8.248 9.261 1.00 0.00 H new ATOM 0 HE3 LYS A 54 8.484 -6.603 8.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 10.284 -8.115 8.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 10.777 -7.003 9.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 10.390 -8.597 9.920 1.00 0.00 H new ATOM 807 N LYS A 55 3.510 -7.277 11.703 1.00 0.00 N ATOM 808 CA LYS A 55 2.731 -8.348 12.300 1.00 0.00 C ATOM 809 C LYS A 55 1.992 -9.110 11.199 1.00 0.00 C ATOM 810 O LYS A 55 2.287 -10.276 10.941 1.00 0.00 O ATOM 811 CB LYS A 55 1.811 -7.797 13.391 1.00 0.00 C ATOM 812 CG LYS A 55 1.988 -8.569 14.700 1.00 0.00 C ATOM 813 CD LYS A 55 1.591 -7.710 15.902 1.00 0.00 C ATOM 814 CE LYS A 55 2.795 -6.942 16.449 1.00 0.00 C ATOM 815 NZ LYS A 55 3.098 -5.774 15.591 1.00 0.00 N ATOM 0 H LYS A 55 3.418 -6.373 12.166 1.00 0.00 H new ATOM 0 HA LYS A 55 3.385 -9.063 12.798 1.00 0.00 H new ATOM 0 HB2 LYS A 55 2.028 -6.741 13.555 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.773 -7.862 13.064 1.00 0.00 H new ATOM 0 HG2 LYS A 55 1.380 -9.473 14.678 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.026 -8.886 14.802 1.00 0.00 H new ATOM 0 HD2 LYS A 55 0.810 -7.008 15.610 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.174 -8.344 16.684 1.00 0.00 H new ATOM 0 HE2 LYS A 55 2.590 -6.610 17.467 1.00 0.00 H new ATOM 0 HE3 LYS A 55 3.662 -7.600 16.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 3.639 -5.073 16.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 3.659 -6.082 14.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 2.210 -5.345 15.262 1.00 0.00 H new ATOM 829 N GLU A 56 1.045 -8.421 10.580 1.00 0.00 N ATOM 830 CA GLU A 56 0.261 -9.019 9.512 1.00 0.00 C ATOM 831 C GLU A 56 1.152 -9.883 8.619 1.00 0.00 C ATOM 832 O GLU A 56 0.970 -11.097 8.542 1.00 0.00 O ATOM 833 CB GLU A 56 -0.460 -7.945 8.694 1.00 0.00 C ATOM 834 CG GLU A 56 -1.949 -7.899 9.040 1.00 0.00 C ATOM 835 CD GLU A 56 -2.729 -8.950 8.246 1.00 0.00 C ATOM 836 OE1 GLU A 56 -2.072 -9.682 7.475 1.00 0.00 O ATOM 837 OE2 GLU A 56 -3.965 -8.996 8.427 1.00 0.00 O ATOM 0 H GLU A 56 0.803 -7.454 10.797 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.499 -9.659 9.960 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.008 -6.972 8.887 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.336 -8.149 7.630 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.083 -8.071 10.108 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.346 -6.907 8.825 1.00 0.00 H new ATOM 844 N VAL A 57 2.098 -9.224 7.965 1.00 0.00 N ATOM 845 CA VAL A 57 3.018 -9.917 7.080 1.00 0.00 C ATOM 846 C VAL A 57 3.582 -11.145 7.798 1.00 0.00 C ATOM 847 O VAL A 57 3.702 -12.215 7.204 1.00 0.00 O ATOM 848 CB VAL A 57 4.105 -8.954 6.598 1.00 0.00 C ATOM 849 CG1 VAL A 57 5.026 -9.632 5.581 1.00 0.00 C ATOM 850 CG2 VAL A 57 3.491 -7.679 6.017 1.00 0.00 C ATOM 0 H VAL A 57 2.247 -8.217 8.031 1.00 0.00 H new ATOM 0 HA VAL A 57 2.498 -10.271 6.190 1.00 0.00 H new ATOM 0 HB VAL A 57 4.708 -8.671 7.461 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.790 -8.926 5.254 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.504 -10.496 6.042 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.441 -9.958 4.721 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.286 -7.012 5.682 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.852 -7.935 5.172 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.897 -7.180 6.782 1.00 0.00 H new ATOM 860 N GLU A 58 3.914 -10.949 9.066 1.00 0.00 N ATOM 861 CA GLU A 58 4.462 -12.027 9.871 1.00 0.00 C ATOM 862 C GLU A 58 3.395 -13.092 10.130 1.00 0.00 C ATOM 863 O GLU A 58 3.719 -14.257 10.357 1.00 0.00 O ATOM 864 CB GLU A 58 5.034 -11.493 11.186 1.00 0.00 C ATOM 865 CG GLU A 58 6.490 -11.057 11.014 1.00 0.00 C ATOM 866 CD GLU A 58 7.227 -11.064 12.356 1.00 0.00 C ATOM 867 OE1 GLU A 58 7.039 -10.085 13.110 1.00 0.00 O ATOM 868 OE2 GLU A 58 7.960 -12.047 12.595 1.00 0.00 O ATOM 0 H GLU A 58 3.814 -10.060 9.555 1.00 0.00 H new ATOM 0 HA GLU A 58 5.280 -12.488 9.317 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.436 -10.649 11.530 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.970 -12.264 11.954 1.00 0.00 H new ATOM 0 HG2 GLU A 58 6.993 -11.725 10.315 1.00 0.00 H new ATOM 0 HG3 GLU A 58 6.525 -10.057 10.581 1.00 0.00 H new ATOM 875 N LYS A 59 2.145 -12.655 10.086 1.00 0.00 N ATOM 876 CA LYS A 59 1.029 -13.557 10.312 1.00 0.00 C ATOM 877 C LYS A 59 0.712 -14.305 9.016 1.00 0.00 C ATOM 878 O LYS A 59 0.258 -15.448 9.050 1.00 0.00 O ATOM 879 CB LYS A 59 -0.166 -12.796 10.891 1.00 0.00 C ATOM 880 CG LYS A 59 -1.436 -13.075 10.085 1.00 0.00 C ATOM 881 CD LYS A 59 -2.682 -12.630 10.853 1.00 0.00 C ATOM 882 CE LYS A 59 -3.006 -11.162 10.569 1.00 0.00 C ATOM 883 NZ LYS A 59 -2.738 -10.332 11.765 1.00 0.00 N ATOM 0 H LYS A 59 1.881 -11.688 9.897 1.00 0.00 H new ATOM 0 HA LYS A 59 1.291 -14.308 11.057 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -0.319 -13.088 11.930 1.00 0.00 H new ATOM 0 HB3 LYS A 59 0.043 -11.726 10.888 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -1.387 -12.552 9.130 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.503 -14.140 9.862 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -3.530 -13.254 10.571 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -2.524 -12.771 11.922 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -2.407 -10.807 9.731 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.052 -11.064 10.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -3.027 -9.350 11.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -3.277 -10.703 12.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -1.722 -10.358 11.985 1.00 0.00 H new ATOM 897 N MET A 60 0.965 -13.631 7.904 1.00 0.00 N ATOM 898 CA MET A 60 0.712 -14.218 6.599 1.00 0.00 C ATOM 899 C MET A 60 -0.716 -14.758 6.508 1.00 0.00 C ATOM 900 O MET A 60 -0.921 -15.935 6.217 1.00 0.00 O ATOM 901 CB MET A 60 1.705 -15.355 6.350 1.00 0.00 C ATOM 902 CG MET A 60 2.933 -14.854 5.588 1.00 0.00 C ATOM 903 SD MET A 60 2.680 -15.039 3.831 1.00 0.00 S ATOM 904 CE MET A 60 2.214 -13.369 3.406 1.00 0.00 C ATOM 0 H MET A 60 1.343 -12.684 7.880 1.00 0.00 H new ATOM 0 HA MET A 60 0.836 -13.443 5.843 1.00 0.00 H new ATOM 0 HB2 MET A 60 2.015 -15.787 7.302 1.00 0.00 H new ATOM 0 HB3 MET A 60 1.219 -16.149 5.782 1.00 0.00 H new ATOM 0 HG2 MET A 60 3.118 -13.807 5.829 1.00 0.00 H new ATOM 0 HG3 MET A 60 3.816 -15.413 5.897 1.00 0.00 H new ATOM 0 HE1 MET A 60 2.429 -13.188 2.353 1.00 0.00 H new ATOM 0 HE2 MET A 60 1.148 -13.231 3.588 1.00 0.00 H new ATOM 0 HE3 MET A 60 2.780 -12.666 4.017 1.00 0.00 H new ATOM 914 N ASN A 61 -1.667 -13.871 6.761 1.00 0.00 N ATOM 915 CA ASN A 61 -3.071 -14.244 6.712 1.00 0.00 C ATOM 916 C ASN A 61 -3.563 -14.167 5.265 1.00 0.00 C ATOM 917 O ASN A 61 -2.884 -13.611 4.403 1.00 0.00 O ATOM 918 CB ASN A 61 -3.924 -13.292 7.553 1.00 0.00 C ATOM 919 CG ASN A 61 -5.378 -13.764 7.610 1.00 0.00 C ATOM 920 OD1 ASN A 61 -6.257 -13.232 6.952 1.00 0.00 O ATOM 921 ND2 ASN A 61 -5.582 -14.790 8.431 1.00 0.00 N ATOM 0 H ASN A 61 -1.493 -12.895 7.001 1.00 0.00 H new ATOM 0 HA ASN A 61 -3.166 -15.256 7.106 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -3.518 -13.230 8.563 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -3.880 -12.288 7.130 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -6.519 -15.178 8.539 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -4.801 -15.189 8.953 1.00 0.00 H new ATOM 928 N LYS A 62 -4.741 -14.733 5.044 1.00 0.00 N ATOM 929 CA LYS A 62 -5.332 -14.735 3.716 1.00 0.00 C ATOM 930 C LYS A 62 -5.181 -13.347 3.093 1.00 0.00 C ATOM 931 O LYS A 62 -4.628 -13.208 2.003 1.00 0.00 O ATOM 932 CB LYS A 62 -6.779 -15.229 3.775 1.00 0.00 C ATOM 933 CG LYS A 62 -6.834 -16.738 4.027 1.00 0.00 C ATOM 934 CD LYS A 62 -7.361 -17.480 2.797 1.00 0.00 C ATOM 935 CE LYS A 62 -8.871 -17.701 2.896 1.00 0.00 C ATOM 936 NZ LYS A 62 -9.177 -19.144 3.014 1.00 0.00 N ATOM 0 H LYS A 62 -5.302 -15.193 5.761 1.00 0.00 H new ATOM 0 HA LYS A 62 -4.807 -15.435 3.066 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -7.314 -14.705 4.567 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -7.286 -14.994 2.839 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -5.839 -17.105 4.279 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -7.476 -16.944 4.883 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -7.132 -16.909 1.897 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -6.855 -18.441 2.703 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -9.267 -17.167 3.760 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -9.363 -17.290 2.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -10.206 -19.276 3.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -8.817 -19.645 2.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -8.723 -19.526 3.868 1.00 0.00 H new ATOM 950 N LYS A 63 -5.684 -12.353 3.811 1.00 0.00 N ATOM 951 CA LYS A 63 -5.612 -10.979 3.342 1.00 0.00 C ATOM 952 C LYS A 63 -4.198 -10.693 2.832 1.00 0.00 C ATOM 953 O LYS A 63 -4.018 -9.919 1.893 1.00 0.00 O ATOM 954 CB LYS A 63 -6.079 -10.015 4.434 1.00 0.00 C ATOM 955 CG LYS A 63 -7.587 -10.139 4.666 1.00 0.00 C ATOM 956 CD LYS A 63 -8.358 -9.137 3.805 1.00 0.00 C ATOM 957 CE LYS A 63 -8.439 -7.772 4.491 1.00 0.00 C ATOM 958 NZ LYS A 63 -9.274 -6.842 3.699 1.00 0.00 N ATOM 0 H LYS A 63 -6.143 -12.472 4.714 1.00 0.00 H new ATOM 0 HA LYS A 63 -6.291 -10.826 2.503 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.546 -10.225 5.361 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -5.834 -8.992 4.150 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.913 -11.152 4.431 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -7.812 -9.968 5.719 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.869 -9.033 2.836 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -9.363 -9.513 3.616 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.859 -7.885 5.491 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.438 -7.359 4.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -9.318 -5.920 4.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -8.857 -6.720 2.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -10.234 -7.231 3.607 1.00 0.00 H new ATOM 972 N MET A 64 -3.231 -11.331 3.474 1.00 0.00 N ATOM 973 CA MET A 64 -1.839 -11.154 3.098 1.00 0.00 C ATOM 974 C MET A 64 -1.436 -12.147 2.005 1.00 0.00 C ATOM 975 O MET A 64 -0.503 -11.894 1.245 1.00 0.00 O ATOM 976 CB MET A 64 -0.948 -11.356 4.325 1.00 0.00 C ATOM 977 CG MET A 64 0.464 -10.824 4.071 1.00 0.00 C ATOM 978 SD MET A 64 0.399 -9.085 3.676 1.00 0.00 S ATOM 979 CE MET A 64 0.124 -8.407 5.305 1.00 0.00 C ATOM 0 H MET A 64 -3.384 -11.972 4.253 1.00 0.00 H new ATOM 0 HA MET A 64 -1.713 -10.143 2.710 1.00 0.00 H new ATOM 0 HB2 MET A 64 -1.384 -10.845 5.183 1.00 0.00 H new ATOM 0 HB3 MET A 64 -0.902 -12.416 4.575 1.00 0.00 H new ATOM 0 HG2 MET A 64 1.085 -10.982 4.953 1.00 0.00 H new ATOM 0 HG3 MET A 64 0.927 -11.374 3.252 1.00 0.00 H new ATOM 0 HE1 MET A 64 -0.856 -7.932 5.341 1.00 0.00 H new ATOM 0 HE2 MET A 64 0.167 -9.207 6.044 1.00 0.00 H new ATOM 0 HE3 MET A 64 0.894 -7.668 5.526 1.00 0.00 H new ATOM 989 N GLU A 65 -2.159 -13.256 1.962 1.00 0.00 N ATOM 990 CA GLU A 65 -1.889 -14.288 0.975 1.00 0.00 C ATOM 991 C GLU A 65 -2.233 -13.784 -0.428 1.00 0.00 C ATOM 992 O GLU A 65 -1.531 -14.088 -1.390 1.00 0.00 O ATOM 993 CB GLU A 65 -2.656 -15.571 1.300 1.00 0.00 C ATOM 994 CG GLU A 65 -3.953 -15.655 0.493 1.00 0.00 C ATOM 995 CD GLU A 65 -4.508 -17.080 0.494 1.00 0.00 C ATOM 996 OE1 GLU A 65 -4.349 -17.751 1.537 1.00 0.00 O ATOM 997 OE2 GLU A 65 -5.080 -17.467 -0.548 1.00 0.00 O ATOM 0 H GLU A 65 -2.932 -13.463 2.595 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.825 -14.522 1.005 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -2.031 -16.437 1.082 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -2.884 -15.602 2.365 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -4.692 -14.973 0.914 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -3.769 -15.333 -0.532 1.00 0.00 H new ATOM 1004 N GLU A 66 -3.315 -13.022 -0.499 1.00 0.00 N ATOM 1005 CA GLU A 66 -3.761 -12.473 -1.769 1.00 0.00 C ATOM 1006 C GLU A 66 -2.732 -11.477 -2.307 1.00 0.00 C ATOM 1007 O GLU A 66 -2.595 -11.315 -3.519 1.00 0.00 O ATOM 1008 CB GLU A 66 -5.137 -11.818 -1.630 1.00 0.00 C ATOM 1009 CG GLU A 66 -6.148 -12.792 -1.021 1.00 0.00 C ATOM 1010 CD GLU A 66 -6.844 -13.612 -2.109 1.00 0.00 C ATOM 1011 OE1 GLU A 66 -7.708 -13.025 -2.797 1.00 0.00 O ATOM 1012 OE2 GLU A 66 -6.497 -14.806 -2.229 1.00 0.00 O ATOM 0 H GLU A 66 -3.896 -12.772 0.302 1.00 0.00 H new ATOM 0 HA GLU A 66 -3.855 -13.291 -2.483 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -5.059 -10.930 -1.003 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.488 -11.488 -2.608 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -5.641 -13.461 -0.325 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -6.891 -12.239 -0.447 1.00 0.00 H new ATOM 1019 N VAL A 67 -2.035 -10.837 -1.381 1.00 0.00 N ATOM 1020 CA VAL A 67 -1.022 -9.861 -1.747 1.00 0.00 C ATOM 1021 C VAL A 67 0.273 -10.589 -2.114 1.00 0.00 C ATOM 1022 O VAL A 67 1.041 -10.115 -2.949 1.00 0.00 O ATOM 1023 CB VAL A 67 -0.838 -8.847 -0.616 1.00 0.00 C ATOM 1024 CG1 VAL A 67 0.260 -7.838 -0.958 1.00 0.00 C ATOM 1025 CG2 VAL A 67 -2.155 -8.138 -0.297 1.00 0.00 C ATOM 0 H VAL A 67 -2.151 -10.975 -0.377 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.337 -9.295 -2.624 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.526 -9.391 0.275 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.371 -7.129 -0.138 1.00 0.00 H new ATOM 0 HG12 VAL A 67 1.202 -8.364 -1.112 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -0.009 -7.302 -1.868 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.997 -7.423 0.510 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -2.509 -7.612 -1.184 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -2.899 -8.873 0.010 1.00 0.00 H new ATOM 1035 N LYS A 68 0.474 -11.730 -1.471 1.00 0.00 N ATOM 1036 CA LYS A 68 1.663 -12.529 -1.719 1.00 0.00 C ATOM 1037 C LYS A 68 1.543 -13.203 -3.087 1.00 0.00 C ATOM 1038 O LYS A 68 2.486 -13.183 -3.877 1.00 0.00 O ATOM 1039 CB LYS A 68 1.898 -13.510 -0.568 1.00 0.00 C ATOM 1040 CG LYS A 68 3.123 -14.387 -0.837 1.00 0.00 C ATOM 1041 CD LYS A 68 3.782 -14.824 0.472 1.00 0.00 C ATOM 1042 CE LYS A 68 5.230 -15.261 0.238 1.00 0.00 C ATOM 1043 NZ LYS A 68 5.272 -16.515 -0.547 1.00 0.00 N ATOM 0 H LYS A 68 -0.166 -12.120 -0.779 1.00 0.00 H new ATOM 0 HA LYS A 68 2.549 -11.895 -1.753 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.038 -12.959 0.362 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.018 -14.139 -0.436 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.827 -15.266 -1.410 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.842 -13.837 -1.445 1.00 0.00 H new ATOM 0 HD2 LYS A 68 3.758 -14.002 1.188 1.00 0.00 H new ATOM 0 HD3 LYS A 68 3.217 -15.646 0.911 1.00 0.00 H new ATOM 0 HE2 LYS A 68 5.772 -14.476 -0.290 1.00 0.00 H new ATOM 0 HE3 LYS A 68 5.731 -15.407 1.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 6.262 -16.798 -0.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 4.772 -17.266 -0.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 4.812 -16.364 -1.467 1.00 0.00 H new ATOM 1057 N GLU A 69 0.376 -13.783 -3.326 1.00 0.00 N ATOM 1058 CA GLU A 69 0.121 -14.461 -4.585 1.00 0.00 C ATOM 1059 C GLU A 69 0.360 -13.509 -5.759 1.00 0.00 C ATOM 1060 O GLU A 69 0.985 -13.884 -6.749 1.00 0.00 O ATOM 1061 CB GLU A 69 -1.297 -15.033 -4.623 1.00 0.00 C ATOM 1062 CG GLU A 69 -2.339 -13.927 -4.442 1.00 0.00 C ATOM 1063 CD GLU A 69 -3.759 -14.491 -4.525 1.00 0.00 C ATOM 1064 OE1 GLU A 69 -4.025 -15.467 -3.790 1.00 0.00 O ATOM 1065 OE2 GLU A 69 -4.545 -13.935 -5.321 1.00 0.00 O ATOM 0 H GLU A 69 -0.404 -13.797 -2.669 1.00 0.00 H new ATOM 0 HA GLU A 69 0.816 -15.296 -4.672 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -1.463 -15.542 -5.573 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.413 -15.779 -3.837 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -2.193 -13.440 -3.478 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.202 -13.164 -5.209 1.00 0.00 H new ATOM 1072 N ALA A 70 -0.150 -12.296 -5.608 1.00 0.00 N ATOM 1073 CA ALA A 70 0.000 -11.287 -6.643 1.00 0.00 C ATOM 1074 C ALA A 70 1.369 -10.617 -6.502 1.00 0.00 C ATOM 1075 O ALA A 70 1.673 -9.663 -7.216 1.00 0.00 O ATOM 1076 CB ALA A 70 -1.152 -10.285 -6.551 1.00 0.00 C ATOM 0 H ALA A 70 -0.668 -11.989 -4.785 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.043 -11.743 -7.632 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.039 -9.528 -7.327 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -2.099 -10.806 -6.687 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.140 -9.805 -5.572 1.00 0.00 H new ATOM 1082 N ASN A 71 2.157 -11.144 -5.576 1.00 0.00 N ATOM 1083 CA ASN A 71 3.485 -10.609 -5.332 1.00 0.00 C ATOM 1084 C ASN A 71 3.409 -9.082 -5.254 1.00 0.00 C ATOM 1085 O ASN A 71 4.108 -8.384 -5.988 1.00 0.00 O ATOM 1086 CB ASN A 71 4.444 -10.977 -6.466 1.00 0.00 C ATOM 1087 CG ASN A 71 5.829 -11.330 -5.920 1.00 0.00 C ATOM 1088 OD1 ASN A 71 5.980 -12.105 -4.991 1.00 0.00 O ATOM 1089 ND2 ASN A 71 6.830 -10.718 -6.548 1.00 0.00 N ATOM 0 H ASN A 71 1.901 -11.936 -4.986 1.00 0.00 H new ATOM 0 HA ASN A 71 3.852 -11.032 -4.397 1.00 0.00 H new ATOM 0 HB2 ASN A 71 4.044 -11.822 -7.026 1.00 0.00 H new ATOM 0 HB3 ASN A 71 4.526 -10.143 -7.163 1.00 0.00 H new ATOM 0 HD21 ASN A 71 7.793 -10.887 -6.258 1.00 0.00 H new ATOM 0 HD22 ASN A 71 6.634 -10.080 -7.319 1.00 0.00 H new ATOM 1096 N ILE A 72 2.556 -8.609 -4.358 1.00 0.00 N ATOM 1097 CA ILE A 72 2.380 -7.179 -4.174 1.00 0.00 C ATOM 1098 C ILE A 72 3.197 -6.720 -2.966 1.00 0.00 C ATOM 1099 O ILE A 72 2.884 -7.071 -1.830 1.00 0.00 O ATOM 1100 CB ILE A 72 0.893 -6.830 -4.079 1.00 0.00 C ATOM 1101 CG1 ILE A 72 0.168 -7.158 -5.386 1.00 0.00 C ATOM 1102 CG2 ILE A 72 0.698 -5.370 -3.667 1.00 0.00 C ATOM 1103 CD1 ILE A 72 -1.346 -7.013 -5.225 1.00 0.00 C ATOM 0 H ILE A 72 1.979 -9.191 -3.751 1.00 0.00 H new ATOM 0 HA ILE A 72 2.757 -6.635 -5.040 1.00 0.00 H new ATOM 0 HB ILE A 72 0.447 -7.447 -3.299 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.518 -6.494 -6.177 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.409 -8.176 -5.694 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.367 -5.148 -3.607 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.159 -5.202 -2.694 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.163 -4.718 -4.406 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.837 -7.252 -6.168 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.697 -7.695 -4.451 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.585 -5.988 -4.941 1.00 0.00 H new ATOM 1115 N ARG A 73 4.230 -5.941 -3.252 1.00 0.00 N ATOM 1116 CA ARG A 73 5.095 -5.430 -2.202 1.00 0.00 C ATOM 1117 C ARG A 73 4.259 -4.831 -1.070 1.00 0.00 C ATOM 1118 O ARG A 73 3.429 -3.954 -1.303 1.00 0.00 O ATOM 1119 CB ARG A 73 6.047 -4.361 -2.745 1.00 0.00 C ATOM 1120 CG ARG A 73 5.325 -3.024 -2.924 1.00 0.00 C ATOM 1121 CD ARG A 73 6.163 -2.057 -3.763 1.00 0.00 C ATOM 1122 NE ARG A 73 5.735 -2.114 -5.179 1.00 0.00 N ATOM 1123 CZ ARG A 73 6.406 -1.545 -6.190 1.00 0.00 C ATOM 1124 NH1 ARG A 73 7.539 -0.873 -5.948 1.00 0.00 N ATOM 1125 NH2 ARG A 73 5.943 -1.649 -7.443 1.00 0.00 N ATOM 0 H ARG A 73 4.487 -5.651 -4.196 1.00 0.00 H new ATOM 0 HA ARG A 73 5.683 -6.265 -1.821 1.00 0.00 H new ATOM 0 HB2 ARG A 73 6.887 -4.236 -2.062 1.00 0.00 H new ATOM 0 HB3 ARG A 73 6.459 -4.687 -3.700 1.00 0.00 H new ATOM 0 HG2 ARG A 73 4.361 -3.189 -3.406 1.00 0.00 H new ATOM 0 HG3 ARG A 73 5.122 -2.583 -1.948 1.00 0.00 H new ATOM 0 HD2 ARG A 73 6.053 -1.042 -3.382 1.00 0.00 H new ATOM 0 HD3 ARG A 73 7.219 -2.314 -3.683 1.00 0.00 H new ATOM 0 HE ARG A 73 4.876 -2.618 -5.399 1.00 0.00 H new ATOM 0 HH11 ARG A 73 7.891 -0.794 -4.994 1.00 0.00 H new ATOM 0 HH12 ARG A 73 8.049 -0.440 -6.718 1.00 0.00 H new ATOM 0 HH21 ARG A 73 5.080 -2.161 -7.627 1.00 0.00 H new ATOM 0 HH22 ARG A 73 6.453 -1.216 -8.213 1.00 0.00 H new ATOM 1139 N VAL A 74 4.507 -5.328 0.133 1.00 0.00 N ATOM 1140 CA VAL A 74 3.788 -4.852 1.302 1.00 0.00 C ATOM 1141 C VAL A 74 4.653 -3.836 2.050 1.00 0.00 C ATOM 1142 O VAL A 74 5.705 -4.184 2.584 1.00 0.00 O ATOM 1143 CB VAL A 74 3.368 -6.037 2.175 1.00 0.00 C ATOM 1144 CG1 VAL A 74 2.317 -5.614 3.204 1.00 0.00 C ATOM 1145 CG2 VAL A 74 2.860 -7.197 1.318 1.00 0.00 C ATOM 0 H VAL A 74 5.196 -6.056 0.323 1.00 0.00 H new ATOM 0 HA VAL A 74 2.872 -4.342 1.005 1.00 0.00 H new ATOM 0 HB VAL A 74 4.248 -6.382 2.717 1.00 0.00 H new ATOM 0 HG11 VAL A 74 2.036 -6.474 3.811 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.729 -4.836 3.846 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.437 -5.230 2.688 1.00 0.00 H new ATOM 0 HG21 VAL A 74 2.568 -8.026 1.963 1.00 0.00 H new ATOM 0 HG22 VAL A 74 1.998 -6.869 0.736 1.00 0.00 H new ATOM 0 HG23 VAL A 74 3.651 -7.524 0.643 1.00 0.00 H new ATOM 1155 N VAL A 75 4.177 -2.599 2.065 1.00 0.00 N ATOM 1156 CA VAL A 75 4.894 -1.530 2.738 1.00 0.00 C ATOM 1157 C VAL A 75 4.068 -1.039 3.928 1.00 0.00 C ATOM 1158 O VAL A 75 2.947 -1.496 4.141 1.00 0.00 O ATOM 1159 CB VAL A 75 5.229 -0.417 1.743 1.00 0.00 C ATOM 1160 CG1 VAL A 75 5.982 -0.972 0.532 1.00 0.00 C ATOM 1161 CG2 VAL A 75 3.966 0.329 1.309 1.00 0.00 C ATOM 0 H VAL A 75 3.304 -2.314 1.622 1.00 0.00 H new ATOM 0 HA VAL A 75 5.844 -1.894 3.129 1.00 0.00 H new ATOM 0 HB VAL A 75 5.883 0.296 2.246 1.00 0.00 H new ATOM 0 HG11 VAL A 75 6.208 -0.160 -0.159 1.00 0.00 H new ATOM 0 HG12 VAL A 75 6.911 -1.436 0.863 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.364 -1.716 0.029 1.00 0.00 H new ATOM 0 HG21 VAL A 75 4.232 1.115 0.602 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.277 -0.369 0.833 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.488 0.773 2.182 1.00 0.00 H new ATOM 1171 N SER A 76 4.655 -0.113 4.673 1.00 0.00 N ATOM 1172 CA SER A 76 3.987 0.445 5.837 1.00 0.00 C ATOM 1173 C SER A 76 3.306 1.764 5.466 1.00 0.00 C ATOM 1174 O SER A 76 3.277 2.145 4.297 1.00 0.00 O ATOM 1175 CB SER A 76 4.973 0.662 6.986 1.00 0.00 C ATOM 1176 OG SER A 76 5.146 2.044 7.289 1.00 0.00 O ATOM 0 H SER A 76 5.585 0.265 4.493 1.00 0.00 H new ATOM 0 HA SER A 76 3.231 -0.266 6.172 1.00 0.00 H new ATOM 0 HB2 SER A 76 4.616 0.139 7.873 1.00 0.00 H new ATOM 0 HB3 SER A 76 5.937 0.225 6.724 1.00 0.00 H new ATOM 0 HG SER A 76 5.651 2.135 8.124 1.00 0.00 H new ATOM 1182 N GLU A 77 2.774 2.425 6.484 1.00 0.00 N ATOM 1183 CA GLU A 77 2.095 3.693 6.280 1.00 0.00 C ATOM 1184 C GLU A 77 3.115 4.812 6.060 1.00 0.00 C ATOM 1185 O GLU A 77 2.866 5.741 5.292 1.00 0.00 O ATOM 1186 CB GLU A 77 1.172 4.016 7.457 1.00 0.00 C ATOM 1187 CG GLU A 77 -0.213 4.443 6.967 1.00 0.00 C ATOM 1188 CD GLU A 77 -0.531 5.875 7.401 1.00 0.00 C ATOM 1189 OE1 GLU A 77 -0.051 6.258 8.490 1.00 0.00 O ATOM 1190 OE2 GLU A 77 -1.247 6.555 6.635 1.00 0.00 O ATOM 0 H GLU A 77 2.800 2.106 7.452 1.00 0.00 H new ATOM 0 HA GLU A 77 1.476 3.612 5.387 1.00 0.00 H new ATOM 0 HB2 GLU A 77 1.080 3.142 8.102 1.00 0.00 H new ATOM 0 HB3 GLU A 77 1.610 4.812 8.059 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -0.256 4.371 5.880 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -0.968 3.763 7.362 1.00 0.00 H new ATOM 1197 N ASP A 78 4.241 4.687 6.746 1.00 0.00 N ATOM 1198 CA ASP A 78 5.299 5.676 6.635 1.00 0.00 C ATOM 1199 C ASP A 78 5.464 6.077 5.168 1.00 0.00 C ATOM 1200 O ASP A 78 5.496 7.264 4.845 1.00 0.00 O ATOM 1201 CB ASP A 78 6.635 5.111 7.123 1.00 0.00 C ATOM 1202 CG ASP A 78 7.349 5.959 8.178 1.00 0.00 C ATOM 1203 OD1 ASP A 78 6.722 6.199 9.232 1.00 0.00 O ATOM 1204 OD2 ASP A 78 8.505 6.347 7.906 1.00 0.00 O ATOM 0 H ASP A 78 4.444 3.915 7.381 1.00 0.00 H new ATOM 0 HA ASP A 78 5.024 6.534 7.249 1.00 0.00 H new ATOM 0 HB2 ASP A 78 6.463 4.116 7.534 1.00 0.00 H new ATOM 0 HB3 ASP A 78 7.297 4.992 6.265 1.00 0.00 H new ATOM 1209 N PHE A 79 5.564 5.066 4.318 1.00 0.00 N ATOM 1210 CA PHE A 79 5.725 5.298 2.893 1.00 0.00 C ATOM 1211 C PHE A 79 4.865 6.476 2.430 1.00 0.00 C ATOM 1212 O PHE A 79 5.285 7.258 1.577 1.00 0.00 O ATOM 1213 CB PHE A 79 5.258 4.029 2.177 1.00 0.00 C ATOM 1214 CG PHE A 79 4.839 4.253 0.723 1.00 0.00 C ATOM 1215 CD1 PHE A 79 5.760 4.156 -0.273 1.00 0.00 C ATOM 1216 CD2 PHE A 79 3.545 4.550 0.426 1.00 0.00 C ATOM 1217 CE1 PHE A 79 5.372 4.364 -1.622 1.00 0.00 C ATOM 1218 CE2 PHE A 79 3.157 4.758 -0.924 1.00 0.00 C ATOM 1219 CZ PHE A 79 4.078 4.660 -1.920 1.00 0.00 C ATOM 0 H PHE A 79 5.537 4.083 4.589 1.00 0.00 H new ATOM 0 HA PHE A 79 6.766 5.531 2.669 1.00 0.00 H new ATOM 0 HB2 PHE A 79 6.061 3.293 2.203 1.00 0.00 H new ATOM 0 HB3 PHE A 79 4.417 3.603 2.725 1.00 0.00 H new ATOM 0 HD1 PHE A 79 6.787 3.921 -0.037 1.00 0.00 H new ATOM 0 HD2 PHE A 79 2.813 4.628 1.217 1.00 0.00 H new ATOM 0 HE1 PHE A 79 6.104 4.287 -2.412 1.00 0.00 H new ATOM 0 HE2 PHE A 79 2.130 4.994 -1.160 1.00 0.00 H new ATOM 0 HZ PHE A 79 3.782 4.817 -2.947 1.00 0.00 H new ATOM 1229 N LEU A 80 3.678 6.567 3.012 1.00 0.00 N ATOM 1230 CA LEU A 80 2.757 7.636 2.669 1.00 0.00 C ATOM 1231 C LEU A 80 3.333 8.972 3.144 1.00 0.00 C ATOM 1232 O LEU A 80 3.426 9.922 2.369 1.00 0.00 O ATOM 1233 CB LEU A 80 1.361 7.338 3.220 1.00 0.00 C ATOM 1234 CG LEU A 80 0.592 6.212 2.525 1.00 0.00 C ATOM 1235 CD1 LEU A 80 -0.536 5.688 3.416 1.00 0.00 C ATOM 1236 CD2 LEU A 80 0.079 6.663 1.156 1.00 0.00 C ATOM 0 H LEU A 80 3.333 5.917 3.719 1.00 0.00 H new ATOM 0 HA LEU A 80 2.640 7.705 1.588 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.455 7.089 4.277 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.766 8.249 3.159 1.00 0.00 H new ATOM 0 HG LEU A 80 1.279 5.383 2.354 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.067 4.889 2.899 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.116 5.303 4.345 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.230 6.499 3.640 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.464 5.845 0.683 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.587 7.516 1.280 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.922 6.950 0.528 1.00 0.00 H new ATOM 1248 N GLN A 81 3.704 9.001 4.415 1.00 0.00 N ATOM 1249 CA GLN A 81 4.268 10.204 5.003 1.00 0.00 C ATOM 1250 C GLN A 81 5.520 10.633 4.234 1.00 0.00 C ATOM 1251 O GLN A 81 5.885 11.808 4.241 1.00 0.00 O ATOM 1252 CB GLN A 81 4.580 9.996 6.486 1.00 0.00 C ATOM 1253 CG GLN A 81 5.609 11.016 6.978 1.00 0.00 C ATOM 1254 CD GLN A 81 5.048 12.438 6.908 1.00 0.00 C ATOM 1255 OE1 GLN A 81 3.849 12.661 6.900 1.00 0.00 O ATOM 1256 NE2 GLN A 81 5.981 13.385 6.856 1.00 0.00 N ATOM 0 H GLN A 81 3.625 8.210 5.055 1.00 0.00 H new ATOM 0 HA GLN A 81 3.529 11.002 4.930 1.00 0.00 H new ATOM 0 HB2 GLN A 81 3.664 10.087 7.070 1.00 0.00 H new ATOM 0 HB3 GLN A 81 4.959 8.986 6.643 1.00 0.00 H new ATOM 0 HG2 GLN A 81 5.895 10.784 8.004 1.00 0.00 H new ATOM 0 HG3 GLN A 81 6.513 10.947 6.372 1.00 0.00 H new ATOM 0 HE21 GLN A 81 6.968 13.129 6.866 1.00 0.00 H new ATOM 0 HE22 GLN A 81 5.709 14.367 6.806 1.00 0.00 H new ATOM 1265 N ASP A 82 6.144 9.657 3.590 1.00 0.00 N ATOM 1266 CA ASP A 82 7.347 9.919 2.819 1.00 0.00 C ATOM 1267 C ASP A 82 6.956 10.391 1.417 1.00 0.00 C ATOM 1268 O ASP A 82 7.331 11.485 0.999 1.00 0.00 O ATOM 1269 CB ASP A 82 8.194 8.653 2.673 1.00 0.00 C ATOM 1270 CG ASP A 82 9.156 8.383 3.831 1.00 0.00 C ATOM 1271 OD1 ASP A 82 8.652 8.228 4.964 1.00 0.00 O ATOM 1272 OD2 ASP A 82 10.375 8.337 3.557 1.00 0.00 O ATOM 0 H ASP A 82 5.839 8.684 3.587 1.00 0.00 H new ATOM 0 HA ASP A 82 7.924 10.681 3.343 1.00 0.00 H new ATOM 0 HB2 ASP A 82 7.527 7.798 2.567 1.00 0.00 H new ATOM 0 HB3 ASP A 82 8.770 8.724 1.750 1.00 0.00 H new ATOM 1277 N VAL A 83 6.208 9.541 0.729 1.00 0.00 N ATOM 1278 CA VAL A 83 5.763 9.857 -0.618 1.00 0.00 C ATOM 1279 C VAL A 83 5.220 11.287 -0.648 1.00 0.00 C ATOM 1280 O VAL A 83 5.396 12.000 -1.635 1.00 0.00 O ATOM 1281 CB VAL A 83 4.740 8.820 -1.088 1.00 0.00 C ATOM 1282 CG1 VAL A 83 3.312 9.303 -0.831 1.00 0.00 C ATOM 1283 CG2 VAL A 83 4.947 8.476 -2.564 1.00 0.00 C ATOM 0 H VAL A 83 5.899 8.634 1.079 1.00 0.00 H new ATOM 0 HA VAL A 83 6.598 9.811 -1.317 1.00 0.00 H new ATOM 0 HB VAL A 83 4.894 7.910 -0.508 1.00 0.00 H new ATOM 0 HG11 VAL A 83 2.605 8.548 -1.174 1.00 0.00 H new ATOM 0 HG12 VAL A 83 3.172 9.473 0.237 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.140 10.233 -1.372 1.00 0.00 H new ATOM 0 HG21 VAL A 83 4.207 7.737 -2.873 1.00 0.00 H new ATOM 0 HG22 VAL A 83 4.833 9.377 -3.167 1.00 0.00 H new ATOM 0 HG23 VAL A 83 5.948 8.068 -2.706 1.00 0.00 H new ATOM 1293 N SER A 84 4.572 11.664 0.444 1.00 0.00 N ATOM 1294 CA SER A 84 4.003 12.996 0.555 1.00 0.00 C ATOM 1295 C SER A 84 5.098 14.005 0.910 1.00 0.00 C ATOM 1296 O SER A 84 5.082 15.137 0.431 1.00 0.00 O ATOM 1297 CB SER A 84 2.887 13.033 1.601 1.00 0.00 C ATOM 1298 OG SER A 84 3.376 13.391 2.890 1.00 0.00 O ATOM 0 H SER A 84 4.428 11.070 1.260 1.00 0.00 H new ATOM 0 HA SER A 84 3.569 13.264 -0.408 1.00 0.00 H new ATOM 0 HB2 SER A 84 2.124 13.747 1.292 1.00 0.00 H new ATOM 0 HB3 SER A 84 2.407 12.056 1.654 1.00 0.00 H new ATOM 0 HG SER A 84 2.633 13.405 3.529 1.00 0.00 H new ATOM 1304 N ALA A 85 6.022 13.557 1.747 1.00 0.00 N ATOM 1305 CA ALA A 85 7.121 14.406 2.173 1.00 0.00 C ATOM 1306 C ALA A 85 8.440 13.648 2.005 1.00 0.00 C ATOM 1307 O ALA A 85 9.061 13.251 2.989 1.00 0.00 O ATOM 1308 CB ALA A 85 6.889 14.859 3.615 1.00 0.00 C ATOM 0 H ALA A 85 6.032 12.617 2.142 1.00 0.00 H new ATOM 0 HA ALA A 85 7.174 15.302 1.555 1.00 0.00 H new ATOM 0 HB1 ALA A 85 7.714 15.496 3.934 1.00 0.00 H new ATOM 0 HB2 ALA A 85 5.955 15.418 3.675 1.00 0.00 H new ATOM 0 HB3 ALA A 85 6.832 13.986 4.266 1.00 0.00 H new ATOM 1314 N SER A 86 8.827 13.469 0.751 1.00 0.00 N ATOM 1315 CA SER A 86 10.060 12.766 0.441 1.00 0.00 C ATOM 1316 C SER A 86 10.656 13.301 -0.862 1.00 0.00 C ATOM 1317 O SER A 86 9.949 13.442 -1.860 1.00 0.00 O ATOM 1318 CB SER A 86 9.823 11.258 0.336 1.00 0.00 C ATOM 1319 OG SER A 86 11.005 10.557 -0.041 1.00 0.00 O ATOM 0 H SER A 86 8.308 13.799 -0.063 1.00 0.00 H new ATOM 0 HA SER A 86 10.765 12.940 1.253 1.00 0.00 H new ATOM 0 HB2 SER A 86 9.467 10.879 1.294 1.00 0.00 H new ATOM 0 HB3 SER A 86 9.038 11.064 -0.395 1.00 0.00 H new ATOM 0 HG SER A 86 10.905 10.213 -0.953 1.00 0.00 H new ATOM 1325 N THR A 87 11.949 13.586 -0.812 1.00 0.00 N ATOM 1326 CA THR A 87 12.647 14.103 -1.977 1.00 0.00 C ATOM 1327 C THR A 87 13.252 12.956 -2.789 1.00 0.00 C ATOM 1328 O THR A 87 14.020 13.188 -3.721 1.00 0.00 O ATOM 1329 CB THR A 87 13.683 15.119 -1.494 1.00 0.00 C ATOM 1330 OG1 THR A 87 14.443 14.406 -0.523 1.00 0.00 O ATOM 1331 CG2 THR A 87 13.054 16.269 -0.705 1.00 0.00 C ATOM 0 H THR A 87 12.532 13.469 0.017 1.00 0.00 H new ATOM 0 HA THR A 87 11.962 14.613 -2.655 1.00 0.00 H new ATOM 0 HB THR A 87 14.223 15.521 -2.351 1.00 0.00 H new ATOM 0 HG1 THR A 87 15.140 14.991 -0.159 1.00 0.00 H new ATOM 0 HG21 THR A 87 13.834 16.961 -0.386 1.00 0.00 H new ATOM 0 HG22 THR A 87 12.338 16.795 -1.337 1.00 0.00 H new ATOM 0 HG23 THR A 87 12.541 15.872 0.171 1.00 0.00 H new ATOM 1339 N LYS A 88 12.884 11.743 -2.404 1.00 0.00 N ATOM 1340 CA LYS A 88 13.381 10.559 -3.085 1.00 0.00 C ATOM 1341 C LYS A 88 12.332 10.074 -4.088 1.00 0.00 C ATOM 1342 O LYS A 88 11.395 10.802 -4.412 1.00 0.00 O ATOM 1343 CB LYS A 88 13.800 9.494 -2.069 1.00 0.00 C ATOM 1344 CG LYS A 88 14.871 10.033 -1.119 1.00 0.00 C ATOM 1345 CD LYS A 88 16.254 9.493 -1.490 1.00 0.00 C ATOM 1346 CE LYS A 88 16.756 8.503 -0.437 1.00 0.00 C ATOM 1347 NZ LYS A 88 17.797 9.128 0.408 1.00 0.00 N ATOM 0 H LYS A 88 12.248 11.554 -1.629 1.00 0.00 H new ATOM 0 HA LYS A 88 14.280 10.796 -3.654 1.00 0.00 H new ATOM 0 HB2 LYS A 88 12.931 9.171 -1.497 1.00 0.00 H new ATOM 0 HB3 LYS A 88 14.181 8.617 -2.592 1.00 0.00 H new ATOM 0 HG2 LYS A 88 14.880 11.122 -1.156 1.00 0.00 H new ATOM 0 HG3 LYS A 88 14.629 9.751 -0.094 1.00 0.00 H new ATOM 0 HD2 LYS A 88 16.208 9.003 -2.463 1.00 0.00 H new ATOM 0 HD3 LYS A 88 16.958 10.320 -1.582 1.00 0.00 H new ATOM 0 HE2 LYS A 88 15.924 8.172 0.185 1.00 0.00 H new ATOM 0 HE3 LYS A 88 17.160 7.617 -0.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 18.126 8.442 1.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 18.597 9.422 -0.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 17.400 9.960 0.889 1.00 0.00 H new ATOM 1361 N SER A 89 12.525 8.848 -4.551 1.00 0.00 N ATOM 1362 CA SER A 89 11.608 8.258 -5.511 1.00 0.00 C ATOM 1363 C SER A 89 10.836 7.109 -4.858 1.00 0.00 C ATOM 1364 O SER A 89 11.342 6.456 -3.946 1.00 0.00 O ATOM 1365 CB SER A 89 12.353 7.760 -6.751 1.00 0.00 C ATOM 1366 OG SER A 89 13.055 8.811 -7.410 1.00 0.00 O ATOM 0 H SER A 89 13.303 8.247 -4.279 1.00 0.00 H new ATOM 0 HA SER A 89 10.904 9.027 -5.829 1.00 0.00 H new ATOM 0 HB2 SER A 89 13.057 6.979 -6.462 1.00 0.00 H new ATOM 0 HB3 SER A 89 11.643 7.308 -7.444 1.00 0.00 H new ATOM 0 HG SER A 89 13.519 8.452 -8.195 1.00 0.00 H new ATOM 1372 N LEU A 90 9.625 6.896 -5.351 1.00 0.00 N ATOM 1373 CA LEU A 90 8.779 5.837 -4.828 1.00 0.00 C ATOM 1374 C LEU A 90 9.635 4.601 -4.543 1.00 0.00 C ATOM 1375 O LEU A 90 9.654 4.101 -3.419 1.00 0.00 O ATOM 1376 CB LEU A 90 7.608 5.569 -5.775 1.00 0.00 C ATOM 1377 CG LEU A 90 6.317 6.335 -5.479 1.00 0.00 C ATOM 1378 CD1 LEU A 90 5.669 5.837 -4.185 1.00 0.00 C ATOM 1379 CD2 LEU A 90 6.569 7.844 -5.449 1.00 0.00 C ATOM 0 H LEU A 90 9.209 7.439 -6.108 1.00 0.00 H new ATOM 0 HA LEU A 90 8.330 6.140 -3.882 1.00 0.00 H new ATOM 0 HB2 LEU A 90 7.925 5.809 -6.790 1.00 0.00 H new ATOM 0 HB3 LEU A 90 7.387 4.502 -5.754 1.00 0.00 H new ATOM 0 HG LEU A 90 5.612 6.142 -6.288 1.00 0.00 H new ATOM 0 HD11 LEU A 90 4.753 6.398 -3.997 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.432 4.777 -4.281 1.00 0.00 H new ATOM 0 HD13 LEU A 90 6.359 5.981 -3.354 1.00 0.00 H new ATOM 0 HD21 LEU A 90 5.635 8.365 -5.237 1.00 0.00 H new ATOM 0 HD22 LEU A 90 7.298 8.076 -4.673 1.00 0.00 H new ATOM 0 HD23 LEU A 90 6.953 8.168 -6.416 1.00 0.00 H new ATOM 1391 N GLN A 91 10.321 4.144 -5.580 1.00 0.00 N ATOM 1392 CA GLN A 91 11.176 2.976 -5.455 1.00 0.00 C ATOM 1393 C GLN A 91 11.846 2.953 -4.079 1.00 0.00 C ATOM 1394 O GLN A 91 11.961 1.897 -3.459 1.00 0.00 O ATOM 1395 CB GLN A 91 12.220 2.938 -6.573 1.00 0.00 C ATOM 1396 CG GLN A 91 12.200 1.590 -7.296 1.00 0.00 C ATOM 1397 CD GLN A 91 13.609 1.177 -7.726 1.00 0.00 C ATOM 1398 OE1 GLN A 91 14.594 1.832 -7.425 1.00 0.00 O ATOM 1399 NE2 GLN A 91 13.650 0.059 -8.444 1.00 0.00 N ATOM 0 H GLN A 91 10.302 4.561 -6.511 1.00 0.00 H new ATOM 0 HA GLN A 91 10.556 2.085 -5.551 1.00 0.00 H new ATOM 0 HB2 GLN A 91 12.025 3.740 -7.285 1.00 0.00 H new ATOM 0 HB3 GLN A 91 13.211 3.116 -6.156 1.00 0.00 H new ATOM 0 HG2 GLN A 91 11.778 0.828 -6.641 1.00 0.00 H new ATOM 0 HG3 GLN A 91 11.553 1.652 -8.171 1.00 0.00 H new ATOM 0 HE21 GLN A 91 12.787 -0.440 -8.660 1.00 0.00 H new ATOM 0 HE22 GLN A 91 14.544 -0.300 -8.779 1.00 0.00 H new ATOM 1408 N GLU A 92 12.270 4.130 -3.643 1.00 0.00 N ATOM 1409 CA GLU A 92 12.925 4.258 -2.352 1.00 0.00 C ATOM 1410 C GLU A 92 11.932 3.974 -1.223 1.00 0.00 C ATOM 1411 O GLU A 92 12.045 2.963 -0.532 1.00 0.00 O ATOM 1412 CB GLU A 92 13.556 5.643 -2.192 1.00 0.00 C ATOM 1413 CG GLU A 92 14.650 5.870 -3.238 1.00 0.00 C ATOM 1414 CD GLU A 92 16.040 5.769 -2.607 1.00 0.00 C ATOM 1415 OE1 GLU A 92 16.198 4.904 -1.718 1.00 0.00 O ATOM 1416 OE2 GLU A 92 16.913 6.558 -3.028 1.00 0.00 O ATOM 0 H GLU A 92 12.173 5.004 -4.161 1.00 0.00 H new ATOM 0 HA GLU A 92 13.727 3.522 -2.298 1.00 0.00 H new ATOM 0 HB2 GLU A 92 12.788 6.410 -2.291 1.00 0.00 H new ATOM 0 HB3 GLU A 92 13.978 5.741 -1.192 1.00 0.00 H new ATOM 0 HG2 GLU A 92 14.554 5.133 -4.036 1.00 0.00 H new ATOM 0 HG3 GLU A 92 14.524 6.852 -3.694 1.00 0.00 H new ATOM 1423 N LEU A 93 10.982 4.885 -1.070 1.00 0.00 N ATOM 1424 CA LEU A 93 9.971 4.746 -0.036 1.00 0.00 C ATOM 1425 C LEU A 93 9.610 3.267 0.122 1.00 0.00 C ATOM 1426 O LEU A 93 9.675 2.724 1.224 1.00 0.00 O ATOM 1427 CB LEU A 93 8.768 5.643 -0.339 1.00 0.00 C ATOM 1428 CG LEU A 93 9.036 7.149 -0.327 1.00 0.00 C ATOM 1429 CD1 LEU A 93 10.308 7.474 0.458 1.00 0.00 C ATOM 1430 CD2 LEU A 93 9.080 7.709 -1.750 1.00 0.00 C ATOM 0 H LEU A 93 10.891 5.722 -1.645 1.00 0.00 H new ATOM 0 HA LEU A 93 10.359 5.085 0.925 1.00 0.00 H new ATOM 0 HB2 LEU A 93 8.375 5.372 -1.319 1.00 0.00 H new ATOM 0 HB3 LEU A 93 7.986 5.427 0.389 1.00 0.00 H new ATOM 0 HG LEU A 93 8.209 7.639 0.186 1.00 0.00 H new ATOM 0 HD11 LEU A 93 10.475 8.551 0.451 1.00 0.00 H new ATOM 0 HD12 LEU A 93 10.198 7.131 1.487 1.00 0.00 H new ATOM 0 HD13 LEU A 93 11.158 6.972 -0.003 1.00 0.00 H new ATOM 0 HD21 LEU A 93 9.272 8.781 -1.713 1.00 0.00 H new ATOM 0 HD22 LEU A 93 9.875 7.217 -2.310 1.00 0.00 H new ATOM 0 HD23 LEU A 93 8.124 7.528 -2.242 1.00 0.00 H new ATOM 1442 N PHE A 94 9.239 2.658 -0.994 1.00 0.00 N ATOM 1443 CA PHE A 94 8.868 1.254 -0.993 1.00 0.00 C ATOM 1444 C PHE A 94 9.892 0.417 -0.222 1.00 0.00 C ATOM 1445 O PHE A 94 9.542 -0.271 0.735 1.00 0.00 O ATOM 1446 CB PHE A 94 8.848 0.795 -2.452 1.00 0.00 C ATOM 1447 CG PHE A 94 7.588 1.208 -3.217 1.00 0.00 C ATOM 1448 CD1 PHE A 94 6.372 1.139 -2.612 1.00 0.00 C ATOM 1449 CD2 PHE A 94 7.685 1.645 -4.501 1.00 0.00 C ATOM 1450 CE1 PHE A 94 5.204 1.522 -3.322 1.00 0.00 C ATOM 1451 CE2 PHE A 94 6.517 2.029 -5.211 1.00 0.00 C ATOM 1452 CZ PHE A 94 5.301 1.959 -4.606 1.00 0.00 C ATOM 0 H PHE A 94 9.187 3.112 -1.906 1.00 0.00 H new ATOM 0 HA PHE A 94 7.898 1.126 -0.513 1.00 0.00 H new ATOM 0 HB2 PHE A 94 9.721 1.203 -2.962 1.00 0.00 H new ATOM 0 HB3 PHE A 94 8.939 -0.291 -2.482 1.00 0.00 H new ATOM 0 HD1 PHE A 94 6.295 0.793 -1.592 1.00 0.00 H new ATOM 0 HD2 PHE A 94 8.651 1.700 -4.981 1.00 0.00 H new ATOM 0 HE1 PHE A 94 4.238 1.466 -2.842 1.00 0.00 H new ATOM 0 HE2 PHE A 94 6.594 2.376 -6.231 1.00 0.00 H new ATOM 0 HZ PHE A 94 4.412 2.251 -5.146 1.00 0.00 H new ATOM 1462 N LEU A 95 11.136 0.504 -0.669 1.00 0.00 N ATOM 1463 CA LEU A 95 12.213 -0.236 -0.033 1.00 0.00 C ATOM 1464 C LEU A 95 12.476 0.348 1.356 1.00 0.00 C ATOM 1465 O LEU A 95 12.814 -0.383 2.286 1.00 0.00 O ATOM 1466 CB LEU A 95 13.449 -0.262 -0.934 1.00 0.00 C ATOM 1467 CG LEU A 95 13.596 -1.489 -1.836 1.00 0.00 C ATOM 1468 CD1 LEU A 95 14.284 -1.122 -3.153 1.00 0.00 C ATOM 1469 CD2 LEU A 95 14.321 -2.622 -1.107 1.00 0.00 C ATOM 0 H LEU A 95 11.422 1.076 -1.464 1.00 0.00 H new ATOM 0 HA LEU A 95 11.928 -1.279 0.108 1.00 0.00 H new ATOM 0 HB2 LEU A 95 13.434 0.627 -1.564 1.00 0.00 H new ATOM 0 HB3 LEU A 95 14.335 -0.191 -0.303 1.00 0.00 H new ATOM 0 HG LEU A 95 12.599 -1.852 -2.084 1.00 0.00 H new ATOM 0 HD11 LEU A 95 14.376 -2.012 -3.776 1.00 0.00 H new ATOM 0 HD12 LEU A 95 13.691 -0.372 -3.677 1.00 0.00 H new ATOM 0 HD13 LEU A 95 15.276 -0.720 -2.946 1.00 0.00 H new ATOM 0 HD21 LEU A 95 14.412 -3.482 -1.771 1.00 0.00 H new ATOM 0 HD22 LEU A 95 15.314 -2.286 -0.810 1.00 0.00 H new ATOM 0 HD23 LEU A 95 13.754 -2.906 -0.221 1.00 0.00 H new ATOM 1481 N ALA A 96 12.311 1.659 1.453 1.00 0.00 N ATOM 1482 CA ALA A 96 12.527 2.349 2.714 1.00 0.00 C ATOM 1483 C ALA A 96 11.327 2.110 3.632 1.00 0.00 C ATOM 1484 O ALA A 96 11.287 2.619 4.752 1.00 0.00 O ATOM 1485 CB ALA A 96 12.770 3.836 2.446 1.00 0.00 C ATOM 0 H ALA A 96 12.030 2.262 0.679 1.00 0.00 H new ATOM 0 HA ALA A 96 13.411 1.960 3.219 1.00 0.00 H new ATOM 0 HB1 ALA A 96 12.932 4.354 3.391 1.00 0.00 H new ATOM 0 HB2 ALA A 96 13.649 3.953 1.813 1.00 0.00 H new ATOM 0 HB3 ALA A 96 11.902 4.262 1.943 1.00 0.00 H new ATOM 1491 N HIS A 97 10.378 1.336 3.126 1.00 0.00 N ATOM 1492 CA HIS A 97 9.181 1.024 3.887 1.00 0.00 C ATOM 1493 C HIS A 97 8.636 -0.338 3.451 1.00 0.00 C ATOM 1494 O HIS A 97 7.429 -0.571 3.495 1.00 0.00 O ATOM 1495 CB HIS A 97 8.147 2.145 3.757 1.00 0.00 C ATOM 1496 CG HIS A 97 8.674 3.512 4.124 1.00 0.00 C ATOM 1497 ND1 HIS A 97 9.087 3.837 5.405 1.00 0.00 N ATOM 1498 CD2 HIS A 97 8.851 4.632 3.367 1.00 0.00 C ATOM 1499 CE1 HIS A 97 9.492 5.098 5.406 1.00 0.00 C ATOM 1500 NE2 HIS A 97 9.344 5.589 4.142 1.00 0.00 N ATOM 0 H HIS A 97 10.414 0.916 2.197 1.00 0.00 H new ATOM 0 HA HIS A 97 9.427 0.956 4.947 1.00 0.00 H new ATOM 0 HB2 HIS A 97 7.782 2.171 2.730 1.00 0.00 H new ATOM 0 HB3 HIS A 97 7.293 1.913 4.393 1.00 0.00 H new ATOM 0 HD1 HIS A 97 9.080 3.212 6.211 1.00 0.00 H new ATOM 0 HD2 HIS A 97 8.628 4.724 2.314 1.00 0.00 H new ATOM 0 HE1 HIS A 97 9.873 5.642 6.258 1.00 0.00 H new ATOM 1508 N ILE A 98 9.553 -1.202 3.041 1.00 0.00 N ATOM 1509 CA ILE A 98 9.180 -2.535 2.598 1.00 0.00 C ATOM 1510 C ILE A 98 9.041 -3.451 3.815 1.00 0.00 C ATOM 1511 O ILE A 98 9.984 -3.610 4.589 1.00 0.00 O ATOM 1512 CB ILE A 98 10.171 -3.048 1.552 1.00 0.00 C ATOM 1513 CG1 ILE A 98 9.598 -4.249 0.796 1.00 0.00 C ATOM 1514 CG2 ILE A 98 11.526 -3.365 2.188 1.00 0.00 C ATOM 1515 CD1 ILE A 98 9.162 -3.851 -0.616 1.00 0.00 C ATOM 0 H ILE A 98 10.553 -1.005 3.006 1.00 0.00 H new ATOM 0 HA ILE A 98 8.210 -2.515 2.101 1.00 0.00 H new ATOM 0 HB ILE A 98 10.336 -2.256 0.821 1.00 0.00 H new ATOM 0 HG12 ILE A 98 10.347 -5.039 0.740 1.00 0.00 H new ATOM 0 HG13 ILE A 98 8.747 -4.655 1.343 1.00 0.00 H new ATOM 0 HG21 ILE A 98 12.211 -3.728 1.422 1.00 0.00 H new ATOM 0 HG22 ILE A 98 11.935 -2.463 2.643 1.00 0.00 H new ATOM 0 HG23 ILE A 98 11.399 -4.131 2.953 1.00 0.00 H new ATOM 0 HD11 ILE A 98 8.759 -4.723 -1.131 1.00 0.00 H new ATOM 0 HD12 ILE A 98 8.396 -3.078 -0.556 1.00 0.00 H new ATOM 0 HD13 ILE A 98 10.021 -3.468 -1.168 1.00 0.00 H new ATOM 1527 N LEU A 99 7.857 -4.032 3.946 1.00 0.00 N ATOM 1528 CA LEU A 99 7.582 -4.929 5.056 1.00 0.00 C ATOM 1529 C LEU A 99 7.698 -6.377 4.576 1.00 0.00 C ATOM 1530 O LEU A 99 7.843 -7.292 5.385 1.00 0.00 O ATOM 1531 CB LEU A 99 6.229 -4.597 5.690 1.00 0.00 C ATOM 1532 CG LEU A 99 6.076 -3.178 6.239 1.00 0.00 C ATOM 1533 CD1 LEU A 99 4.644 -2.926 6.716 1.00 0.00 C ATOM 1534 CD2 LEU A 99 7.103 -2.900 7.338 1.00 0.00 C ATOM 0 H LEU A 99 7.077 -3.899 3.302 1.00 0.00 H new ATOM 0 HA LEU A 99 8.320 -4.795 5.847 1.00 0.00 H new ATOM 0 HB2 LEU A 99 5.451 -4.763 4.945 1.00 0.00 H new ATOM 0 HB3 LEU A 99 6.048 -5.301 6.502 1.00 0.00 H new ATOM 0 HG LEU A 99 6.274 -2.476 5.429 1.00 0.00 H new ATOM 0 HD11 LEU A 99 4.562 -1.910 7.102 1.00 0.00 H new ATOM 0 HD12 LEU A 99 3.955 -3.054 5.881 1.00 0.00 H new ATOM 0 HD13 LEU A 99 4.393 -3.635 7.505 1.00 0.00 H new ATOM 0 HD21 LEU A 99 6.971 -1.884 7.710 1.00 0.00 H new ATOM 0 HD22 LEU A 99 6.962 -3.607 8.155 1.00 0.00 H new ATOM 0 HD23 LEU A 99 8.109 -3.010 6.932 1.00 0.00 H new ATOM 1546 N SER A 100 7.630 -6.539 3.263 1.00 0.00 N ATOM 1547 CA SER A 100 7.726 -7.860 2.666 1.00 0.00 C ATOM 1548 C SER A 100 9.019 -7.976 1.856 1.00 0.00 C ATOM 1549 O SER A 100 9.629 -6.967 1.507 1.00 0.00 O ATOM 1550 CB SER A 100 6.515 -8.152 1.778 1.00 0.00 C ATOM 1551 OG SER A 100 6.275 -7.105 0.841 1.00 0.00 O ATOM 0 H SER A 100 7.510 -5.777 2.596 1.00 0.00 H new ATOM 0 HA SER A 100 7.741 -8.598 3.468 1.00 0.00 H new ATOM 0 HB2 SER A 100 6.675 -9.088 1.243 1.00 0.00 H new ATOM 0 HB3 SER A 100 5.632 -8.289 2.402 1.00 0.00 H new ATOM 0 HG SER A 100 6.176 -7.486 -0.057 1.00 0.00 H new ATOM 1557 N SER A 101 9.398 -9.215 1.581 1.00 0.00 N ATOM 1558 CA SER A 101 10.608 -9.476 0.819 1.00 0.00 C ATOM 1559 C SER A 101 10.273 -9.592 -0.670 1.00 0.00 C ATOM 1560 O SER A 101 11.150 -9.449 -1.520 1.00 0.00 O ATOM 1561 CB SER A 101 11.303 -10.748 1.307 1.00 0.00 C ATOM 1562 OG SER A 101 12.604 -10.481 1.823 1.00 0.00 O ATOM 0 H SER A 101 8.889 -10.050 1.872 1.00 0.00 H new ATOM 0 HA SER A 101 11.293 -8.641 0.968 1.00 0.00 H new ATOM 0 HB2 SER A 101 10.696 -11.219 2.080 1.00 0.00 H new ATOM 0 HB3 SER A 101 11.378 -11.459 0.484 1.00 0.00 H new ATOM 0 HG SER A 101 13.014 -11.318 2.126 1.00 0.00 H new ATOM 1568 N TRP A 102 9.002 -9.851 -0.939 1.00 0.00 N ATOM 1569 CA TRP A 102 8.541 -9.988 -2.310 1.00 0.00 C ATOM 1570 C TRP A 102 8.080 -8.611 -2.794 1.00 0.00 C ATOM 1571 O TRP A 102 8.421 -7.593 -2.195 1.00 0.00 O ATOM 1572 CB TRP A 102 7.450 -11.055 -2.418 1.00 0.00 C ATOM 1573 CG TRP A 102 6.076 -10.593 -1.925 1.00 0.00 C ATOM 1574 CD1 TRP A 102 5.138 -9.923 -2.608 1.00 0.00 C ATOM 1575 CD2 TRP A 102 5.522 -10.796 -0.608 1.00 0.00 C ATOM 1576 NE1 TRP A 102 4.024 -9.680 -1.831 1.00 0.00 N ATOM 1577 CE2 TRP A 102 4.265 -10.228 -0.576 1.00 0.00 C ATOM 1578 CE3 TRP A 102 6.065 -11.438 0.518 1.00 0.00 C ATOM 1579 CZ2 TRP A 102 3.445 -10.244 0.559 1.00 0.00 C ATOM 1580 CZ3 TRP A 102 5.234 -11.446 1.644 1.00 0.00 C ATOM 1581 CH2 TRP A 102 3.966 -10.879 1.693 1.00 0.00 C ATOM 0 H TRP A 102 8.277 -9.970 -0.231 1.00 0.00 H new ATOM 0 HA TRP A 102 9.349 -10.332 -2.956 1.00 0.00 H new ATOM 0 HB2 TRP A 102 7.365 -11.369 -3.458 1.00 0.00 H new ATOM 0 HB3 TRP A 102 7.755 -11.931 -1.845 1.00 0.00 H new ATOM 0 HD1 TRP A 102 5.241 -9.612 -3.637 1.00 0.00 H new ATOM 0 HE1 TRP A 102 3.179 -9.189 -2.123 1.00 0.00 H new ATOM 0 HE3 TRP A 102 7.046 -11.890 0.515 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 2.464 -9.791 0.560 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 5.604 -11.927 2.538 1.00 0.00 H new ATOM 0 HH2 TRP A 102 3.385 -10.928 2.602 1.00 0.00 H new ATOM 1592 N GLY A 103 7.312 -8.626 -3.873 1.00 0.00 N ATOM 1593 CA GLY A 103 6.801 -7.391 -4.444 1.00 0.00 C ATOM 1594 C GLY A 103 7.765 -6.831 -5.491 1.00 0.00 C ATOM 1595 O GLY A 103 8.344 -5.762 -5.299 1.00 0.00 O ATOM 0 H GLY A 103 7.031 -9.473 -4.367 1.00 0.00 H new ATOM 0 HA2 GLY A 103 5.828 -7.573 -4.901 1.00 0.00 H new ATOM 0 HA3 GLY A 103 6.650 -6.656 -3.654 1.00 0.00 H new