USER MOD reduce.3.24.130724 H: found=0, std=0, add=945, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 941 hydrogens (8 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 NoAdj-H: B 4 PTR HN2 : B 4 PTR N : B 3 ASP C :(H bumps) USER MOD NoAdj-H: B 4 PTR H : B 4 PTR N : B 3 ASP C :(H bumps) USER MOD Set 1.1: A 23 HIS : no HD1:sc= -6.2! C(o=-11!,f=-9.9!) USER MOD Set 1.2: A 26 MET CE :methyl -158:sc= -5.15! (180deg=0) USER MOD Set 2.1: A 9 LYS NZ :NH3+ 138:sc= 0.014 (180deg=0) USER MOD Set 2.2: A 15 SER OG : rot 64:sc= 0.241 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 6 HIS : no HD1:sc= -1.31 K(o=-1.3,f=-2.1!) USER MOD Single : A 8 SER OG : rot 180:sc= -0.358 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HE2:sc= -0.0378 X(o=-0.038,f=-0.48) USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.367 USER MOD Single : A 20 GLN : amide:sc= -0.233 K(o=-0.23,f=-2.4!) USER MOD Single : A 24 MET CE :methyl -139:sc= -0.249 (180deg=-1.8!) USER MOD Single : A 38 LYS NZ :NH3+ -113:sc= 0.52! (180deg=-1.68) USER MOD Single : A 40 ASN : amide:sc= -0.0157 K(o=-0.016,f=-1) USER MOD Single : A 43 ASN : amide:sc= -0.879 K(o=-0.88,f=-0.37) USER MOD Single : A 44 SER OG : rot -120:sc= -0.0527 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0.00702 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -147:sc= -2.26! (180deg=-3.51!) USER MOD Single : A 57 HIS : no HD1:sc= -8.11! C(o=-8.1!,f=-7.6!) USER MOD Single : A 58 CYS SG : rot -156:sc= -7.3! USER MOD Single : A 61 GLN : amide:sc= -0.0634 X(o=-0.063,f=0) USER MOD Single : A 62 GLN : amide:sc=-0.00682 X(o=-0.0068,f=0.43) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.0011) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.0366 USER MOD Single : A 68 MET CE :methyl -156:sc= -0.0328 (180deg=-1.25) USER MOD Single : A 71 ASN : amide:sc= -0.208 X(o=-0.21,f=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= -0.0238 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 180:sc= 0.207 USER MOD Single : A 86 LYS NZ :NH3+ -157:sc= -0.0028 (180deg=-0.499) USER MOD Single : A 87 HIS : no HD1:sc= -3.68! C(o=-3.7!,f=-4.1!) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 147:sc= 0 (180deg=-0.0903) USER MOD Single : A 93 MET CE :methyl -93:sc= -0.724 (180deg=-1.27) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 TYR OH : rot 130:sc= -0.891 USER MOD Single : A 100 ASN : amide:sc= -0.874 X(o=-0.87,f=-0.84) USER MOD Single : A 103 ASN : amide:sc= -2.42 K(o=-2.4,f=-4.6!) USER MOD Single : A 104 SER OG : rot 46:sc= 0.323 USER MOD Single : A 105 SER OG : rot 92:sc= 0.035 USER MOD Single : B 1 ASP N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 ASN : amide:sc= -0.212 X(o=-0.21,f=-0.32) USER MOD Single : B 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.092 22.777 1.351 1.00 0.00 N ATOM 2 CA GLY A 1 4.661 22.647 1.748 1.00 0.00 C ATOM 3 C GLY A 1 4.040 21.446 1.031 1.00 0.00 C ATOM 4 O GLY A 1 4.154 20.319 1.475 1.00 0.00 O ATOM 0 H1 GLY A 1 6.515 23.593 1.838 1.00 0.00 H new ATOM 0 H2 GLY A 1 6.606 21.912 1.615 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.156 22.917 0.322 1.00 0.00 H new ATOM 0 HA2 GLY A 1 4.582 22.520 2.828 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.118 23.557 1.493 1.00 0.00 H new ATOM 10 N SER A 2 3.385 21.675 -0.073 1.00 0.00 N ATOM 11 CA SER A 2 2.759 20.545 -0.817 1.00 0.00 C ATOM 12 C SER A 2 1.850 19.752 0.125 1.00 0.00 C ATOM 13 O SER A 2 2.245 18.734 0.659 1.00 0.00 O ATOM 14 CB SER A 2 3.854 19.626 -1.362 1.00 0.00 C ATOM 15 OG SER A 2 4.349 20.157 -2.583 1.00 0.00 O ATOM 0 H SER A 2 3.256 22.596 -0.493 1.00 0.00 H new ATOM 0 HA SER A 2 2.168 20.939 -1.644 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.663 19.536 -0.637 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.457 18.624 -1.523 1.00 0.00 H new ATOM 0 HG SER A 2 5.052 19.571 -2.933 1.00 0.00 H new ATOM 21 N PRO A 3 0.657 20.249 0.295 1.00 0.00 N ATOM 22 CA PRO A 3 -0.395 19.652 1.158 1.00 0.00 C ATOM 23 C PRO A 3 -1.071 18.485 0.433 1.00 0.00 C ATOM 24 O PRO A 3 -0.877 18.280 -0.748 1.00 0.00 O ATOM 25 CB PRO A 3 -1.399 20.773 1.414 1.00 0.00 C ATOM 26 CG PRO A 3 -1.228 21.768 0.262 1.00 0.00 C ATOM 27 CD PRO A 3 0.153 21.493 -0.350 1.00 0.00 C ATOM 0 HA PRO A 3 0.016 19.260 2.088 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -2.417 20.385 1.446 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -1.211 21.253 2.374 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -2.014 21.639 -0.482 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -1.295 22.794 0.623 1.00 0.00 H new ATOM 0 HD2 PRO A 3 0.081 21.369 -1.431 1.00 0.00 H new ATOM 0 HD3 PRO A 3 0.831 22.327 -0.169 1.00 0.00 H new ATOM 35 N GLY A 4 -1.863 17.720 1.133 1.00 0.00 N ATOM 36 CA GLY A 4 -2.551 16.568 0.482 1.00 0.00 C ATOM 37 C GLY A 4 -3.807 16.209 1.276 1.00 0.00 C ATOM 38 O GLY A 4 -3.919 16.506 2.449 1.00 0.00 O ATOM 0 H GLY A 4 -2.064 17.842 2.126 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.817 16.822 -0.544 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.880 15.710 0.434 1.00 0.00 H new ATOM 42 N ILE A 5 -4.756 15.572 0.646 1.00 0.00 N ATOM 43 CA ILE A 5 -6.005 15.194 1.366 1.00 0.00 C ATOM 44 C ILE A 5 -6.378 13.753 1.011 1.00 0.00 C ATOM 45 O ILE A 5 -6.008 12.819 1.696 1.00 0.00 O ATOM 46 CB ILE A 5 -7.139 16.132 0.949 1.00 0.00 C ATOM 47 CG1 ILE A 5 -6.833 17.549 1.441 1.00 0.00 C ATOM 48 CG2 ILE A 5 -8.452 15.653 1.567 1.00 0.00 C ATOM 49 CD1 ILE A 5 -6.523 18.450 0.244 1.00 0.00 C ATOM 0 H ILE A 5 -4.720 15.297 -0.336 1.00 0.00 H new ATOM 0 HA ILE A 5 -5.845 15.275 2.441 1.00 0.00 H new ATOM 0 HB ILE A 5 -7.228 16.133 -0.137 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -7.684 17.944 1.996 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -5.985 17.532 2.126 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -9.260 16.322 1.269 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -8.671 14.643 1.220 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -8.364 15.652 2.653 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -6.305 19.459 0.595 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -5.659 18.058 -0.292 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -7.384 18.476 -0.424 1.00 0.00 H new ATOM 61 N HIS A 6 -7.103 13.563 -0.057 1.00 0.00 N ATOM 62 CA HIS A 6 -7.495 12.182 -0.457 1.00 0.00 C ATOM 63 C HIS A 6 -6.899 11.865 -1.830 1.00 0.00 C ATOM 64 O HIS A 6 -6.829 10.723 -2.239 1.00 0.00 O ATOM 65 CB HIS A 6 -9.021 12.081 -0.526 1.00 0.00 C ATOM 66 CG HIS A 6 -9.583 13.361 -1.083 1.00 0.00 C ATOM 67 ND1 HIS A 6 -10.460 14.156 -0.362 1.00 0.00 N ATOM 68 CD2 HIS A 6 -9.407 13.994 -2.288 1.00 0.00 C ATOM 69 CE1 HIS A 6 -10.776 15.214 -1.134 1.00 0.00 C ATOM 70 NE2 HIS A 6 -10.161 15.163 -2.319 1.00 0.00 N ATOM 0 H HIS A 6 -7.441 14.305 -0.670 1.00 0.00 H new ATOM 0 HA HIS A 6 -7.120 11.470 0.278 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -9.313 11.239 -1.154 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -9.429 11.894 0.467 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -8.778 13.638 -3.091 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -11.445 16.006 -0.832 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -10.229 15.836 -3.082 1.00 0.00 H new ATOM 78 N GLU A 7 -6.467 12.869 -2.544 1.00 0.00 N ATOM 79 CA GLU A 7 -5.876 12.629 -3.889 1.00 0.00 C ATOM 80 C GLU A 7 -4.976 13.809 -4.266 1.00 0.00 C ATOM 81 O GLU A 7 -5.429 14.798 -4.805 1.00 0.00 O ATOM 82 CB GLU A 7 -6.995 12.491 -4.923 1.00 0.00 C ATOM 83 CG GLU A 7 -7.703 11.148 -4.732 1.00 0.00 C ATOM 84 CD GLU A 7 -8.352 10.720 -6.049 1.00 0.00 C ATOM 85 OE1 GLU A 7 -7.685 10.063 -6.829 1.00 0.00 O ATOM 86 OE2 GLU A 7 -9.507 11.057 -6.254 1.00 0.00 O ATOM 0 H GLU A 7 -6.498 13.846 -2.252 1.00 0.00 H new ATOM 0 HA GLU A 7 -5.287 11.712 -3.869 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -7.708 13.309 -4.815 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -6.584 12.558 -5.930 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -6.989 10.392 -4.404 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -8.460 11.232 -3.952 1.00 0.00 H new ATOM 93 N SER A 8 -3.705 13.712 -3.987 1.00 0.00 N ATOM 94 CA SER A 8 -2.780 14.829 -4.329 1.00 0.00 C ATOM 95 C SER A 8 -1.374 14.495 -3.831 1.00 0.00 C ATOM 96 O SER A 8 -0.848 15.144 -2.947 1.00 0.00 O ATOM 97 CB SER A 8 -3.267 16.116 -3.661 1.00 0.00 C ATOM 98 OG SER A 8 -4.047 15.784 -2.519 1.00 0.00 O ATOM 0 H SER A 8 -3.267 12.908 -3.537 1.00 0.00 H new ATOM 0 HA SER A 8 -2.759 14.967 -5.410 1.00 0.00 H new ATOM 0 HB2 SER A 8 -2.417 16.732 -3.369 1.00 0.00 H new ATOM 0 HB3 SER A 8 -3.860 16.703 -4.363 1.00 0.00 H new ATOM 0 HG SER A 8 -4.360 16.606 -2.087 1.00 0.00 H new ATOM 104 N LYS A 9 -0.762 13.484 -4.390 1.00 0.00 N ATOM 105 CA LYS A 9 0.610 13.097 -3.951 1.00 0.00 C ATOM 106 C LYS A 9 0.590 12.748 -2.461 1.00 0.00 C ATOM 107 O LYS A 9 -0.392 12.963 -1.780 1.00 0.00 O ATOM 108 CB LYS A 9 1.579 14.255 -4.199 1.00 0.00 C ATOM 109 CG LYS A 9 1.871 14.360 -5.697 1.00 0.00 C ATOM 110 CD LYS A 9 2.665 13.135 -6.152 1.00 0.00 C ATOM 111 CE LYS A 9 3.007 13.271 -7.637 1.00 0.00 C ATOM 112 NZ LYS A 9 3.873 12.132 -8.055 1.00 0.00 N ATOM 0 H LYS A 9 -1.155 12.908 -5.134 1.00 0.00 H new ATOM 0 HA LYS A 9 0.940 12.228 -4.521 1.00 0.00 H new ATOM 0 HB2 LYS A 9 1.149 15.188 -3.835 1.00 0.00 H new ATOM 0 HB3 LYS A 9 2.505 14.094 -3.647 1.00 0.00 H new ATOM 0 HG2 LYS A 9 0.938 14.429 -6.256 1.00 0.00 H new ATOM 0 HG3 LYS A 9 2.435 15.269 -5.905 1.00 0.00 H new ATOM 0 HD2 LYS A 9 3.578 13.042 -5.565 1.00 0.00 H new ATOM 0 HD3 LYS A 9 2.084 12.228 -5.983 1.00 0.00 H new ATOM 0 HE2 LYS A 9 2.094 13.284 -8.232 1.00 0.00 H new ATOM 0 HE3 LYS A 9 3.519 14.216 -7.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 3.564 11.784 -8.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 4.861 12.451 -8.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 3.799 11.365 -7.356 1.00 0.00 H new ATOM 126 N GLU A 10 1.664 12.208 -1.949 1.00 0.00 N ATOM 127 CA GLU A 10 1.698 11.844 -0.503 1.00 0.00 C ATOM 128 C GLU A 10 0.593 10.825 -0.210 1.00 0.00 C ATOM 129 O GLU A 10 -0.549 11.187 -0.006 1.00 0.00 O ATOM 130 CB GLU A 10 1.473 13.099 0.345 1.00 0.00 C ATOM 131 CG GLU A 10 2.825 13.704 0.730 1.00 0.00 C ATOM 132 CD GLU A 10 3.542 14.196 -0.528 1.00 0.00 C ATOM 133 OE1 GLU A 10 3.009 15.074 -1.186 1.00 0.00 O ATOM 134 OE2 GLU A 10 4.614 13.687 -0.813 1.00 0.00 O ATOM 0 H GLU A 10 2.518 12.004 -2.469 1.00 0.00 H new ATOM 0 HA GLU A 10 2.668 11.411 -0.259 1.00 0.00 H new ATOM 0 HB2 GLU A 10 0.883 13.826 -0.212 1.00 0.00 H new ATOM 0 HB3 GLU A 10 0.906 12.848 1.242 1.00 0.00 H new ATOM 0 HG2 GLU A 10 2.680 14.531 1.426 1.00 0.00 H new ATOM 0 HG3 GLU A 10 3.436 12.960 1.242 1.00 0.00 H new ATOM 141 N TRP A 11 0.932 9.557 -0.203 1.00 0.00 N ATOM 142 CA TRP A 11 -0.076 8.478 0.066 1.00 0.00 C ATOM 143 C TRP A 11 -0.859 8.159 -1.215 1.00 0.00 C ATOM 144 O TRP A 11 -1.420 7.090 -1.354 1.00 0.00 O ATOM 145 CB TRP A 11 -1.049 8.918 1.166 1.00 0.00 C ATOM 146 CG TRP A 11 -1.722 7.718 1.756 1.00 0.00 C ATOM 147 CD1 TRP A 11 -1.267 7.015 2.819 1.00 0.00 C ATOM 148 CD2 TRP A 11 -2.962 7.077 1.340 1.00 0.00 C ATOM 149 NE1 TRP A 11 -2.149 5.982 3.081 1.00 0.00 N ATOM 150 CE2 TRP A 11 -3.210 5.977 2.197 1.00 0.00 C ATOM 151 CE3 TRP A 11 -3.885 7.337 0.313 1.00 0.00 C ATOM 152 CZ2 TRP A 11 -4.337 5.167 2.040 1.00 0.00 C ATOM 153 CZ3 TRP A 11 -5.019 6.524 0.151 1.00 0.00 C ATOM 154 CH2 TRP A 11 -5.244 5.442 1.013 1.00 0.00 C ATOM 0 H TRP A 11 1.879 9.218 -0.375 1.00 0.00 H new ATOM 0 HA TRP A 11 0.454 7.585 0.398 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -0.512 9.464 1.942 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -1.794 9.599 0.754 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -0.364 7.226 3.372 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -2.030 5.306 3.836 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -3.721 8.168 -0.357 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -4.506 4.335 2.707 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -5.721 6.734 -0.642 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -6.118 4.821 0.884 1.00 0.00 H new ATOM 165 N TYR A 12 -0.898 9.069 -2.153 1.00 0.00 N ATOM 166 CA TYR A 12 -1.643 8.810 -3.416 1.00 0.00 C ATOM 167 C TYR A 12 -0.729 9.101 -4.612 1.00 0.00 C ATOM 168 O TYR A 12 -0.366 10.231 -4.868 1.00 0.00 O ATOM 169 CB TYR A 12 -2.873 9.722 -3.473 1.00 0.00 C ATOM 170 CG TYR A 12 -3.440 9.726 -4.872 1.00 0.00 C ATOM 171 CD1 TYR A 12 -3.863 8.528 -5.457 1.00 0.00 C ATOM 172 CD2 TYR A 12 -3.537 10.926 -5.583 1.00 0.00 C ATOM 173 CE1 TYR A 12 -4.385 8.531 -6.756 1.00 0.00 C ATOM 174 CE2 TYR A 12 -4.059 10.930 -6.882 1.00 0.00 C ATOM 175 CZ TYR A 12 -4.482 9.731 -7.469 1.00 0.00 C ATOM 176 OH TYR A 12 -4.995 9.734 -8.750 1.00 0.00 O ATOM 0 H TYR A 12 -0.445 9.981 -2.097 1.00 0.00 H new ATOM 0 HA TYR A 12 -1.962 7.768 -3.450 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -3.627 9.376 -2.766 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -2.600 10.735 -3.178 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -3.787 7.602 -4.907 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -3.209 11.850 -5.130 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -4.713 7.607 -7.208 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -4.135 11.857 -7.431 1.00 0.00 H new ATOM 0 HH TYR A 12 -4.993 10.649 -9.101 1.00 0.00 H new ATOM 186 N HIS A 13 -0.357 8.088 -5.348 1.00 0.00 N ATOM 187 CA HIS A 13 0.532 8.309 -6.525 1.00 0.00 C ATOM 188 C HIS A 13 -0.208 7.916 -7.806 1.00 0.00 C ATOM 189 O HIS A 13 -1.003 6.998 -7.817 1.00 0.00 O ATOM 190 CB HIS A 13 1.791 7.452 -6.384 1.00 0.00 C ATOM 191 CG HIS A 13 2.583 7.920 -5.195 1.00 0.00 C ATOM 192 ND1 HIS A 13 2.938 9.247 -5.018 1.00 0.00 N ATOM 193 CD2 HIS A 13 3.094 7.246 -4.113 1.00 0.00 C ATOM 194 CE1 HIS A 13 3.631 9.332 -3.868 1.00 0.00 C ATOM 195 NE2 HIS A 13 3.755 8.141 -3.275 1.00 0.00 N ATOM 0 H HIS A 13 -0.630 7.119 -5.185 1.00 0.00 H new ATOM 0 HA HIS A 13 0.812 9.361 -6.573 1.00 0.00 H new ATOM 0 HB2 HIS A 13 1.519 6.403 -6.264 1.00 0.00 H new ATOM 0 HB3 HIS A 13 2.396 7.523 -7.288 1.00 0.00 H new ATOM 0 HD1 HIS A 13 2.715 10.019 -5.646 1.00 0.00 H new ATOM 0 HD2 HIS A 13 2.998 6.185 -3.939 1.00 0.00 H new ATOM 0 HE1 HIS A 13 4.038 10.251 -3.472 1.00 0.00 H new ATOM 203 N ALA A 14 0.049 8.604 -8.885 1.00 0.00 N ATOM 204 CA ALA A 14 -0.640 8.268 -10.164 1.00 0.00 C ATOM 205 C ALA A 14 0.125 8.893 -11.335 1.00 0.00 C ATOM 206 O ALA A 14 -0.419 9.659 -12.104 1.00 0.00 O ATOM 207 CB ALA A 14 -2.066 8.821 -10.135 1.00 0.00 C ATOM 0 H ALA A 14 0.705 9.383 -8.937 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.672 7.185 -10.286 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -2.570 8.576 -11.070 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -2.611 8.378 -9.301 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.034 9.904 -10.013 1.00 0.00 H new ATOM 213 N SER A 15 1.381 8.568 -11.476 1.00 0.00 N ATOM 214 CA SER A 15 2.178 9.142 -12.596 1.00 0.00 C ATOM 215 C SER A 15 3.466 8.334 -12.772 1.00 0.00 C ATOM 216 O SER A 15 4.551 8.808 -12.496 1.00 0.00 O ATOM 217 CB SER A 15 2.528 10.597 -12.282 1.00 0.00 C ATOM 218 OG SER A 15 3.113 10.670 -10.988 1.00 0.00 O ATOM 0 H SER A 15 1.889 7.930 -10.864 1.00 0.00 H new ATOM 0 HA SER A 15 1.594 9.100 -13.515 1.00 0.00 H new ATOM 0 HB2 SER A 15 3.220 10.986 -13.029 1.00 0.00 H new ATOM 0 HB3 SER A 15 1.632 11.216 -12.324 1.00 0.00 H new ATOM 0 HG SER A 15 3.961 10.179 -10.984 1.00 0.00 H new ATOM 224 N LEU A 16 3.356 7.115 -13.226 1.00 0.00 N ATOM 225 CA LEU A 16 4.573 6.277 -13.416 1.00 0.00 C ATOM 226 C LEU A 16 4.258 5.129 -14.378 1.00 0.00 C ATOM 227 O LEU A 16 3.120 4.904 -14.739 1.00 0.00 O ATOM 228 CB LEU A 16 5.013 5.706 -12.066 1.00 0.00 C ATOM 229 CG LEU A 16 3.778 5.399 -11.216 1.00 0.00 C ATOM 230 CD1 LEU A 16 3.972 4.063 -10.496 1.00 0.00 C ATOM 231 CD2 LEU A 16 3.585 6.510 -10.182 1.00 0.00 C ATOM 0 H LEU A 16 2.475 6.664 -13.473 1.00 0.00 H new ATOM 0 HA LEU A 16 5.374 6.888 -13.831 1.00 0.00 H new ATOM 0 HB2 LEU A 16 5.599 4.799 -12.216 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.655 6.419 -11.549 1.00 0.00 H new ATOM 0 HG LEU A 16 2.900 5.341 -11.859 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.092 3.845 -9.891 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.112 3.271 -11.231 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.850 4.121 -9.852 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.706 6.294 -9.575 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.464 6.566 -9.540 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.447 7.463 -10.693 1.00 0.00 H new ATOM 243 N THR A 17 5.257 4.401 -14.794 1.00 0.00 N ATOM 244 CA THR A 17 5.012 3.268 -15.731 1.00 0.00 C ATOM 245 C THR A 17 4.732 1.995 -14.929 1.00 0.00 C ATOM 246 O THR A 17 4.393 2.047 -13.762 1.00 0.00 O ATOM 247 CB THR A 17 6.247 3.054 -16.609 1.00 0.00 C ATOM 248 OG1 THR A 17 7.227 4.032 -16.291 1.00 0.00 O ATOM 249 CG2 THR A 17 5.855 3.182 -18.083 1.00 0.00 C ATOM 0 H THR A 17 6.231 4.541 -14.526 1.00 0.00 H new ATOM 0 HA THR A 17 4.153 3.498 -16.362 1.00 0.00 H new ATOM 0 HB THR A 17 6.654 2.059 -16.429 1.00 0.00 H new ATOM 0 HG1 THR A 17 8.019 3.895 -16.851 1.00 0.00 H new ATOM 0 HG21 THR A 17 6.735 3.030 -18.708 1.00 0.00 H new ATOM 0 HG22 THR A 17 5.103 2.431 -18.326 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.448 4.176 -18.266 1.00 0.00 H new ATOM 257 N ARG A 18 4.870 0.853 -15.544 1.00 0.00 N ATOM 258 CA ARG A 18 4.612 -0.423 -14.817 1.00 0.00 C ATOM 259 C ARG A 18 5.877 -0.849 -14.069 1.00 0.00 C ATOM 260 O ARG A 18 5.844 -1.712 -13.215 1.00 0.00 O ATOM 261 CB ARG A 18 4.221 -1.509 -15.821 1.00 0.00 C ATOM 262 CG ARG A 18 3.615 -2.700 -15.076 1.00 0.00 C ATOM 263 CD ARG A 18 2.250 -2.307 -14.507 1.00 0.00 C ATOM 264 NE ARG A 18 1.174 -3.054 -15.220 1.00 0.00 N ATOM 265 CZ ARG A 18 1.280 -3.296 -16.500 1.00 0.00 C ATOM 266 NH1 ARG A 18 0.905 -2.398 -17.369 1.00 0.00 N ATOM 267 NH2 ARG A 18 1.763 -4.438 -16.910 1.00 0.00 N ATOM 0 H ARG A 18 5.150 0.748 -16.519 1.00 0.00 H new ATOM 0 HA ARG A 18 3.801 -0.279 -14.103 1.00 0.00 H new ATOM 0 HB2 ARG A 18 3.504 -1.113 -16.540 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.096 -1.828 -16.387 1.00 0.00 H new ATOM 0 HG2 ARG A 18 3.508 -3.549 -15.752 1.00 0.00 H new ATOM 0 HG3 ARG A 18 4.279 -3.015 -14.271 1.00 0.00 H new ATOM 0 HD2 ARG A 18 2.213 -2.527 -13.440 1.00 0.00 H new ATOM 0 HD3 ARG A 18 2.095 -1.234 -14.617 1.00 0.00 H new ATOM 0 HE ARG A 18 0.353 -3.377 -14.707 1.00 0.00 H new ATOM 0 HH11 ARG A 18 0.528 -1.505 -17.050 1.00 0.00 H new ATOM 0 HH12 ARG A 18 0.988 -2.589 -18.368 1.00 0.00 H new ATOM 0 HH21 ARG A 18 2.057 -5.140 -16.231 1.00 0.00 H new ATOM 0 HH22 ARG A 18 1.846 -4.628 -17.909 1.00 0.00 H new ATOM 281 N ALA A 19 6.993 -0.249 -14.383 1.00 0.00 N ATOM 282 CA ALA A 19 8.257 -0.619 -13.693 1.00 0.00 C ATOM 283 C ALA A 19 8.724 0.554 -12.828 1.00 0.00 C ATOM 284 O ALA A 19 9.376 0.374 -11.819 1.00 0.00 O ATOM 285 CB ALA A 19 9.330 -0.947 -14.733 1.00 0.00 C ATOM 0 H ALA A 19 7.082 0.482 -15.089 1.00 0.00 H new ATOM 0 HA ALA A 19 8.087 -1.492 -13.062 1.00 0.00 H new ATOM 0 HB1 ALA A 19 10.256 -1.218 -14.227 1.00 0.00 H new ATOM 0 HB2 ALA A 19 8.996 -1.781 -15.350 1.00 0.00 H new ATOM 0 HB3 ALA A 19 9.503 -0.076 -15.364 1.00 0.00 H new ATOM 291 N GLN A 20 8.395 1.755 -13.217 1.00 0.00 N ATOM 292 CA GLN A 20 8.818 2.940 -12.419 1.00 0.00 C ATOM 293 C GLN A 20 8.214 2.850 -11.016 1.00 0.00 C ATOM 294 O GLN A 20 8.678 3.484 -10.089 1.00 0.00 O ATOM 295 CB GLN A 20 8.332 4.217 -13.105 1.00 0.00 C ATOM 296 CG GLN A 20 9.286 5.367 -12.777 1.00 0.00 C ATOM 297 CD GLN A 20 10.564 5.222 -13.603 1.00 0.00 C ATOM 298 OE1 GLN A 20 10.640 4.389 -14.485 1.00 0.00 O ATOM 299 NE2 GLN A 20 11.580 6.001 -13.354 1.00 0.00 N ATOM 0 H GLN A 20 7.851 1.967 -14.054 1.00 0.00 H new ATOM 0 HA GLN A 20 9.905 2.961 -12.345 1.00 0.00 H new ATOM 0 HB2 GLN A 20 8.283 4.067 -14.184 1.00 0.00 H new ATOM 0 HB3 GLN A 20 7.323 4.461 -12.771 1.00 0.00 H new ATOM 0 HG2 GLN A 20 8.808 6.323 -12.992 1.00 0.00 H new ATOM 0 HG3 GLN A 20 9.525 5.363 -11.714 1.00 0.00 H new ATOM 0 HE21 GLN A 20 11.517 6.700 -12.614 1.00 0.00 H new ATOM 0 HE22 GLN A 20 12.437 5.911 -13.899 1.00 0.00 H new ATOM 308 N ALA A 21 7.182 2.071 -10.854 1.00 0.00 N ATOM 309 CA ALA A 21 6.549 1.942 -9.511 1.00 0.00 C ATOM 310 C ALA A 21 7.547 1.323 -8.532 1.00 0.00 C ATOM 311 O ALA A 21 7.602 1.687 -7.373 1.00 0.00 O ATOM 312 CB ALA A 21 5.314 1.045 -9.613 1.00 0.00 C ATOM 0 H ALA A 21 6.749 1.518 -11.593 1.00 0.00 H new ATOM 0 HA ALA A 21 6.254 2.929 -9.154 1.00 0.00 H new ATOM 0 HB1 ALA A 21 4.851 0.950 -8.631 1.00 0.00 H new ATOM 0 HB2 ALA A 21 4.601 1.486 -10.310 1.00 0.00 H new ATOM 0 HB3 ALA A 21 5.609 0.059 -9.971 1.00 0.00 H new ATOM 318 N GLU A 22 8.337 0.389 -8.985 1.00 0.00 N ATOM 319 CA GLU A 22 9.331 -0.252 -8.080 1.00 0.00 C ATOM 320 C GLU A 22 10.592 0.614 -8.013 1.00 0.00 C ATOM 321 O GLU A 22 11.316 0.601 -7.036 1.00 0.00 O ATOM 322 CB GLU A 22 9.693 -1.640 -8.618 1.00 0.00 C ATOM 323 CG GLU A 22 8.413 -2.417 -8.941 1.00 0.00 C ATOM 324 CD GLU A 22 8.016 -2.165 -10.396 1.00 0.00 C ATOM 325 OE1 GLU A 22 8.907 -2.072 -11.225 1.00 0.00 O ATOM 326 OE2 GLU A 22 6.829 -2.070 -10.658 1.00 0.00 O ATOM 0 H GLU A 22 8.337 0.042 -9.944 1.00 0.00 H new ATOM 0 HA GLU A 22 8.903 -0.350 -7.082 1.00 0.00 H new ATOM 0 HB2 GLU A 22 10.308 -1.545 -9.513 1.00 0.00 H new ATOM 0 HB3 GLU A 22 10.284 -2.184 -7.881 1.00 0.00 H new ATOM 0 HG2 GLU A 22 8.570 -3.483 -8.775 1.00 0.00 H new ATOM 0 HG3 GLU A 22 7.608 -2.106 -8.274 1.00 0.00 H new ATOM 333 N HIS A 23 10.861 1.365 -9.046 1.00 0.00 N ATOM 334 CA HIS A 23 12.074 2.230 -9.044 1.00 0.00 C ATOM 335 C HIS A 23 11.832 3.452 -8.155 1.00 0.00 C ATOM 336 O HIS A 23 12.759 4.102 -7.713 1.00 0.00 O ATOM 337 CB HIS A 23 12.372 2.690 -10.472 1.00 0.00 C ATOM 338 CG HIS A 23 13.778 3.219 -10.547 1.00 0.00 C ATOM 339 ND1 HIS A 23 14.777 2.564 -11.251 1.00 0.00 N ATOM 340 CD2 HIS A 23 14.367 4.339 -10.013 1.00 0.00 C ATOM 341 CE1 HIS A 23 15.904 3.289 -11.124 1.00 0.00 C ATOM 342 NE2 HIS A 23 15.710 4.381 -10.379 1.00 0.00 N ATOM 0 H HIS A 23 10.293 1.417 -9.891 1.00 0.00 H new ATOM 0 HA HIS A 23 12.922 1.664 -8.658 1.00 0.00 H new ATOM 0 HB2 HIS A 23 12.248 1.859 -11.166 1.00 0.00 H new ATOM 0 HB3 HIS A 23 11.665 3.464 -10.771 1.00 0.00 H new ATOM 0 HD2 HIS A 23 13.865 5.075 -9.402 1.00 0.00 H new ATOM 0 HE1 HIS A 23 16.850 3.021 -11.570 1.00 0.00 H new ATOM 0 HE2 HIS A 23 16.398 5.092 -10.132 1.00 0.00 H new ATOM 350 N MET A 24 10.594 3.772 -7.891 1.00 0.00 N ATOM 351 CA MET A 24 10.299 4.954 -7.033 1.00 0.00 C ATOM 352 C MET A 24 10.387 4.550 -5.560 1.00 0.00 C ATOM 353 O MET A 24 10.731 5.345 -4.708 1.00 0.00 O ATOM 354 CB MET A 24 8.892 5.470 -7.339 1.00 0.00 C ATOM 355 CG MET A 24 7.879 4.337 -7.162 1.00 0.00 C ATOM 356 SD MET A 24 6.277 5.029 -6.681 1.00 0.00 S ATOM 357 CE MET A 24 6.749 5.565 -5.019 1.00 0.00 C ATOM 0 H MET A 24 9.776 3.267 -8.232 1.00 0.00 H new ATOM 0 HA MET A 24 11.025 5.741 -7.237 1.00 0.00 H new ATOM 0 HB2 MET A 24 8.645 6.299 -6.675 1.00 0.00 H new ATOM 0 HB3 MET A 24 8.848 5.854 -8.358 1.00 0.00 H new ATOM 0 HG2 MET A 24 7.780 3.775 -8.091 1.00 0.00 H new ATOM 0 HG3 MET A 24 8.228 3.638 -6.402 1.00 0.00 H new ATOM 0 HE1 MET A 24 5.941 5.343 -4.322 1.00 0.00 H new ATOM 0 HE2 MET A 24 7.651 5.038 -4.709 1.00 0.00 H new ATOM 0 HE3 MET A 24 6.939 6.638 -5.023 1.00 0.00 H new ATOM 367 N LEU A 25 10.080 3.319 -5.253 1.00 0.00 N ATOM 368 CA LEU A 25 10.149 2.868 -3.835 1.00 0.00 C ATOM 369 C LEU A 25 11.589 2.483 -3.492 1.00 0.00 C ATOM 370 O LEU A 25 11.998 2.529 -2.350 1.00 0.00 O ATOM 371 CB LEU A 25 9.237 1.655 -3.641 1.00 0.00 C ATOM 372 CG LEU A 25 7.964 2.083 -2.909 1.00 0.00 C ATOM 373 CD1 LEU A 25 6.993 0.904 -2.844 1.00 0.00 C ATOM 374 CD2 LEU A 25 8.318 2.531 -1.489 1.00 0.00 C ATOM 0 H LEU A 25 9.785 2.608 -5.922 1.00 0.00 H new ATOM 0 HA LEU A 25 9.823 3.676 -3.180 1.00 0.00 H new ATOM 0 HB2 LEU A 25 8.984 1.219 -4.607 1.00 0.00 H new ATOM 0 HB3 LEU A 25 9.756 0.885 -3.070 1.00 0.00 H new ATOM 0 HG LEU A 25 7.497 2.909 -3.445 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.086 1.208 -2.322 1.00 0.00 H new ATOM 0 HD12 LEU A 25 6.741 0.584 -3.855 1.00 0.00 H new ATOM 0 HD13 LEU A 25 7.460 0.077 -2.308 1.00 0.00 H new ATOM 0 HD21 LEU A 25 7.411 2.836 -0.967 1.00 0.00 H new ATOM 0 HD22 LEU A 25 8.785 1.705 -0.953 1.00 0.00 H new ATOM 0 HD23 LEU A 25 9.011 3.371 -1.535 1.00 0.00 H new ATOM 386 N MET A 26 12.360 2.100 -4.474 1.00 0.00 N ATOM 387 CA MET A 26 13.772 1.711 -4.203 1.00 0.00 C ATOM 388 C MET A 26 14.635 2.968 -4.070 1.00 0.00 C ATOM 389 O MET A 26 15.713 2.936 -3.510 1.00 0.00 O ATOM 390 CB MET A 26 14.294 0.852 -5.357 1.00 0.00 C ATOM 391 CG MET A 26 14.436 1.714 -6.612 1.00 0.00 C ATOM 392 SD MET A 26 15.125 0.715 -7.955 1.00 0.00 S ATOM 393 CE MET A 26 16.337 1.926 -8.536 1.00 0.00 C ATOM 0 H MET A 26 12.073 2.040 -5.451 1.00 0.00 H new ATOM 0 HA MET A 26 13.819 1.141 -3.275 1.00 0.00 H new ATOM 0 HB2 MET A 26 15.257 0.415 -5.092 1.00 0.00 H new ATOM 0 HB3 MET A 26 13.610 0.025 -5.547 1.00 0.00 H new ATOM 0 HG2 MET A 26 13.465 2.114 -6.903 1.00 0.00 H new ATOM 0 HG3 MET A 26 15.084 2.567 -6.409 1.00 0.00 H new ATOM 0 HE1 MET A 26 16.605 1.706 -9.569 1.00 0.00 H new ATOM 0 HE2 MET A 26 15.908 2.926 -8.478 1.00 0.00 H new ATOM 0 HE3 MET A 26 17.229 1.877 -7.911 1.00 0.00 H new ATOM 403 N ARG A 27 14.172 4.076 -4.581 1.00 0.00 N ATOM 404 CA ARG A 27 14.970 5.331 -4.483 1.00 0.00 C ATOM 405 C ARG A 27 14.431 6.202 -3.346 1.00 0.00 C ATOM 406 O ARG A 27 14.705 7.384 -3.274 1.00 0.00 O ATOM 407 CB ARG A 27 14.880 6.095 -5.801 1.00 0.00 C ATOM 408 CG ARG A 27 13.483 6.672 -5.928 1.00 0.00 C ATOM 409 CD ARG A 27 13.306 7.305 -7.309 1.00 0.00 C ATOM 410 NE ARG A 27 13.614 8.761 -7.230 1.00 0.00 N ATOM 411 CZ ARG A 27 13.821 9.443 -8.323 1.00 0.00 C ATOM 412 NH1 ARG A 27 12.848 9.624 -9.173 1.00 0.00 N ATOM 413 NH2 ARG A 27 15.000 9.945 -8.565 1.00 0.00 N ATOM 0 H ARG A 27 13.277 4.166 -5.062 1.00 0.00 H new ATOM 0 HA ARG A 27 16.011 5.081 -4.278 1.00 0.00 H new ATOM 0 HB2 ARG A 27 15.623 6.892 -5.828 1.00 0.00 H new ATOM 0 HB3 ARG A 27 15.093 5.431 -6.639 1.00 0.00 H new ATOM 0 HG2 ARG A 27 12.741 5.887 -5.780 1.00 0.00 H new ATOM 0 HG3 ARG A 27 13.316 7.419 -5.152 1.00 0.00 H new ATOM 0 HD2 ARG A 27 13.965 6.821 -8.030 1.00 0.00 H new ATOM 0 HD3 ARG A 27 12.285 7.157 -7.661 1.00 0.00 H new ATOM 0 HE ARG A 27 13.663 9.224 -6.322 1.00 0.00 H new ATOM 0 HH11 ARG A 27 11.925 9.232 -8.983 1.00 0.00 H new ATOM 0 HH12 ARG A 27 13.010 10.157 -10.027 1.00 0.00 H new ATOM 0 HH21 ARG A 27 15.760 9.805 -7.900 1.00 0.00 H new ATOM 0 HH22 ARG A 27 15.162 10.478 -9.419 1.00 0.00 H new ATOM 427 N VAL A 28 13.662 5.632 -2.459 1.00 0.00 N ATOM 428 CA VAL A 28 13.104 6.417 -1.339 1.00 0.00 C ATOM 429 C VAL A 28 14.126 6.491 -0.201 1.00 0.00 C ATOM 430 O VAL A 28 15.062 5.718 -0.158 1.00 0.00 O ATOM 431 CB VAL A 28 11.847 5.711 -0.851 1.00 0.00 C ATOM 432 CG1 VAL A 28 10.948 5.386 -2.044 1.00 0.00 C ATOM 433 CG2 VAL A 28 12.233 4.414 -0.136 1.00 0.00 C ATOM 0 H VAL A 28 13.398 4.647 -2.469 1.00 0.00 H new ATOM 0 HA VAL A 28 12.869 7.430 -1.666 1.00 0.00 H new ATOM 0 HB VAL A 28 11.312 6.362 -0.159 1.00 0.00 H new ATOM 0 HG11 VAL A 28 10.048 4.880 -1.694 1.00 0.00 H new ATOM 0 HG12 VAL A 28 10.671 6.309 -2.553 1.00 0.00 H new ATOM 0 HG13 VAL A 28 11.483 4.736 -2.737 1.00 0.00 H new ATOM 0 HG21 VAL A 28 11.332 3.909 0.213 1.00 0.00 H new ATOM 0 HG22 VAL A 28 12.769 3.763 -0.827 1.00 0.00 H new ATOM 0 HG23 VAL A 28 12.873 4.645 0.716 1.00 0.00 H new ATOM 443 N PRO A 29 13.907 7.423 0.685 1.00 0.00 N ATOM 444 CA PRO A 29 14.764 7.679 1.872 1.00 0.00 C ATOM 445 C PRO A 29 14.454 6.658 2.969 1.00 0.00 C ATOM 446 O PRO A 29 13.341 6.564 3.448 1.00 0.00 O ATOM 447 CB PRO A 29 14.409 9.090 2.338 1.00 0.00 C ATOM 448 CG PRO A 29 13.003 9.374 1.799 1.00 0.00 C ATOM 449 CD PRO A 29 12.767 8.381 0.652 1.00 0.00 C ATOM 0 HA PRO A 29 15.825 7.591 1.638 1.00 0.00 H new ATOM 0 HB2 PRO A 29 14.431 9.158 3.426 1.00 0.00 H new ATOM 0 HB3 PRO A 29 15.126 9.818 1.959 1.00 0.00 H new ATOM 0 HG2 PRO A 29 12.255 9.248 2.581 1.00 0.00 H new ATOM 0 HG3 PRO A 29 12.924 10.402 1.445 1.00 0.00 H new ATOM 0 HD2 PRO A 29 11.818 7.860 0.778 1.00 0.00 H new ATOM 0 HD3 PRO A 29 12.722 8.898 -0.306 1.00 0.00 H new ATOM 457 N ARG A 30 15.430 5.889 3.368 1.00 0.00 N ATOM 458 CA ARG A 30 15.190 4.873 4.431 1.00 0.00 C ATOM 459 C ARG A 30 14.282 3.771 3.881 1.00 0.00 C ATOM 460 O ARG A 30 13.365 4.029 3.128 1.00 0.00 O ATOM 461 CB ARG A 30 14.519 5.538 5.634 1.00 0.00 C ATOM 462 CG ARG A 30 15.352 5.279 6.891 1.00 0.00 C ATOM 463 CD ARG A 30 16.576 6.195 6.892 1.00 0.00 C ATOM 464 NE ARG A 30 17.011 6.441 8.295 1.00 0.00 N ATOM 465 CZ ARG A 30 18.195 6.935 8.534 1.00 0.00 C ATOM 466 NH1 ARG A 30 18.472 8.162 8.187 1.00 0.00 N ATOM 467 NH2 ARG A 30 19.102 6.202 9.118 1.00 0.00 N ATOM 0 H ARG A 30 16.382 5.920 3.004 1.00 0.00 H new ATOM 0 HA ARG A 30 16.140 4.440 4.744 1.00 0.00 H new ATOM 0 HB2 ARG A 30 14.423 6.610 5.463 1.00 0.00 H new ATOM 0 HB3 ARG A 30 13.511 5.144 5.765 1.00 0.00 H new ATOM 0 HG2 ARG A 30 14.750 5.458 7.782 1.00 0.00 H new ATOM 0 HG3 ARG A 30 15.666 4.236 6.923 1.00 0.00 H new ATOM 0 HD2 ARG A 30 17.386 5.738 6.324 1.00 0.00 H new ATOM 0 HD3 ARG A 30 16.337 7.139 6.403 1.00 0.00 H new ATOM 0 HE ARG A 30 16.383 6.223 9.069 1.00 0.00 H new ATOM 0 HH11 ARG A 30 17.763 8.735 7.729 1.00 0.00 H new ATOM 0 HH12 ARG A 30 19.397 8.548 8.374 1.00 0.00 H new ATOM 0 HH21 ARG A 30 18.886 5.242 9.388 1.00 0.00 H new ATOM 0 HH22 ARG A 30 20.027 6.588 9.305 1.00 0.00 H new ATOM 481 N ASP A 31 14.530 2.545 4.250 1.00 0.00 N ATOM 482 CA ASP A 31 13.682 1.429 3.747 1.00 0.00 C ATOM 483 C ASP A 31 12.575 1.130 4.760 1.00 0.00 C ATOM 484 O ASP A 31 12.832 0.692 5.863 1.00 0.00 O ATOM 485 CB ASP A 31 14.546 0.181 3.548 1.00 0.00 C ATOM 486 CG ASP A 31 15.952 0.597 3.111 1.00 0.00 C ATOM 487 OD1 ASP A 31 16.694 1.080 3.950 1.00 0.00 O ATOM 488 OD2 ASP A 31 16.262 0.427 1.943 1.00 0.00 O ATOM 0 H ASP A 31 15.284 2.268 4.879 1.00 0.00 H new ATOM 0 HA ASP A 31 13.233 1.715 2.796 1.00 0.00 H new ATOM 0 HB2 ASP A 31 14.596 -0.391 4.475 1.00 0.00 H new ATOM 0 HB3 ASP A 31 14.097 -0.469 2.796 1.00 0.00 H new ATOM 493 N GLY A 32 11.345 1.364 4.393 1.00 0.00 N ATOM 494 CA GLY A 32 10.221 1.094 5.334 1.00 0.00 C ATOM 495 C GLY A 32 9.195 2.226 5.246 1.00 0.00 C ATOM 496 O GLY A 32 9.382 3.289 5.804 1.00 0.00 O ATOM 0 H GLY A 32 11.070 1.731 3.482 1.00 0.00 H new ATOM 0 HA2 GLY A 32 9.749 0.142 5.090 1.00 0.00 H new ATOM 0 HA3 GLY A 32 10.599 1.010 6.353 1.00 0.00 H new ATOM 500 N ALA A 33 8.112 2.010 4.548 1.00 0.00 N ATOM 501 CA ALA A 33 7.079 3.080 4.430 1.00 0.00 C ATOM 502 C ALA A 33 5.863 2.546 3.670 1.00 0.00 C ATOM 503 O ALA A 33 5.992 1.893 2.653 1.00 0.00 O ATOM 504 CB ALA A 33 7.668 4.276 3.677 1.00 0.00 C ATOM 0 H ALA A 33 7.898 1.142 4.056 1.00 0.00 H new ATOM 0 HA ALA A 33 6.769 3.393 5.427 1.00 0.00 H new ATOM 0 HB1 ALA A 33 6.914 5.058 3.590 1.00 0.00 H new ATOM 0 HB2 ALA A 33 8.529 4.661 4.223 1.00 0.00 H new ATOM 0 HB3 ALA A 33 7.980 3.961 2.681 1.00 0.00 H new ATOM 510 N PHE A 34 4.682 2.818 4.157 1.00 0.00 N ATOM 511 CA PHE A 34 3.455 2.323 3.463 1.00 0.00 C ATOM 512 C PHE A 34 2.828 3.459 2.637 1.00 0.00 C ATOM 513 O PHE A 34 2.736 4.584 3.086 1.00 0.00 O ATOM 514 CB PHE A 34 2.451 1.803 4.508 1.00 0.00 C ATOM 515 CG PHE A 34 1.564 2.927 4.999 1.00 0.00 C ATOM 516 CD1 PHE A 34 2.115 3.997 5.715 1.00 0.00 C ATOM 517 CD2 PHE A 34 0.190 2.897 4.735 1.00 0.00 C ATOM 518 CE1 PHE A 34 1.292 5.036 6.166 1.00 0.00 C ATOM 519 CE2 PHE A 34 -0.633 3.937 5.186 1.00 0.00 C ATOM 520 CZ PHE A 34 -0.082 5.006 5.901 1.00 0.00 C ATOM 0 H PHE A 34 4.513 3.361 5.004 1.00 0.00 H new ATOM 0 HA PHE A 34 3.720 1.509 2.789 1.00 0.00 H new ATOM 0 HB2 PHE A 34 1.839 1.014 4.071 1.00 0.00 H new ATOM 0 HB3 PHE A 34 2.988 1.362 5.348 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.175 4.021 5.919 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -0.236 2.072 4.183 1.00 0.00 H new ATOM 0 HE1 PHE A 34 1.717 5.861 6.718 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -1.693 3.914 4.982 1.00 0.00 H new ATOM 0 HZ PHE A 34 -0.717 5.808 6.248 1.00 0.00 H new ATOM 530 N LEU A 35 2.392 3.167 1.439 1.00 0.00 N ATOM 531 CA LEU A 35 1.770 4.225 0.586 1.00 0.00 C ATOM 532 C LEU A 35 0.671 3.607 -0.289 1.00 0.00 C ATOM 533 O LEU A 35 0.481 2.407 -0.308 1.00 0.00 O ATOM 534 CB LEU A 35 2.839 4.845 -0.316 1.00 0.00 C ATOM 535 CG LEU A 35 3.952 5.445 0.543 1.00 0.00 C ATOM 536 CD1 LEU A 35 5.004 4.374 0.843 1.00 0.00 C ATOM 537 CD2 LEU A 35 4.609 6.605 -0.210 1.00 0.00 C ATOM 0 H LEU A 35 2.440 2.241 1.014 1.00 0.00 H new ATOM 0 HA LEU A 35 1.336 4.992 1.227 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.250 4.087 -0.983 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.395 5.617 -0.945 1.00 0.00 H new ATOM 0 HG LEU A 35 3.529 5.810 1.479 1.00 0.00 H new ATOM 0 HD11 LEU A 35 5.797 4.804 1.455 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.539 3.547 1.380 1.00 0.00 H new ATOM 0 HD13 LEU A 35 5.427 4.007 -0.092 1.00 0.00 H new ATOM 0 HD21 LEU A 35 5.403 7.033 0.402 1.00 0.00 H new ATOM 0 HD22 LEU A 35 5.030 6.239 -1.146 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.862 7.370 -0.423 1.00 0.00 H new ATOM 549 N VAL A 36 -0.051 4.421 -1.018 1.00 0.00 N ATOM 550 CA VAL A 36 -1.133 3.884 -1.896 1.00 0.00 C ATOM 551 C VAL A 36 -1.057 4.570 -3.264 1.00 0.00 C ATOM 552 O VAL A 36 -0.621 5.698 -3.375 1.00 0.00 O ATOM 553 CB VAL A 36 -2.495 4.163 -1.259 1.00 0.00 C ATOM 554 CG1 VAL A 36 -3.607 3.790 -2.240 1.00 0.00 C ATOM 555 CG2 VAL A 36 -2.641 3.326 0.013 1.00 0.00 C ATOM 0 H VAL A 36 0.063 5.434 -1.042 1.00 0.00 H new ATOM 0 HA VAL A 36 -1.006 2.808 -2.017 1.00 0.00 H new ATOM 0 HB VAL A 36 -2.569 5.222 -1.013 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -4.577 3.990 -1.784 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -3.504 4.383 -3.149 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -3.534 2.731 -2.488 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -3.611 3.523 0.469 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.566 2.268 -0.237 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.850 3.590 0.715 1.00 0.00 H new ATOM 565 N ARG A 37 -1.477 3.903 -4.309 1.00 0.00 N ATOM 566 CA ARG A 37 -1.419 4.540 -5.656 1.00 0.00 C ATOM 567 C ARG A 37 -2.259 3.725 -6.640 1.00 0.00 C ATOM 568 O ARG A 37 -2.660 2.617 -6.354 1.00 0.00 O ATOM 569 CB ARG A 37 0.040 4.598 -6.133 1.00 0.00 C ATOM 570 CG ARG A 37 0.472 3.233 -6.678 1.00 0.00 C ATOM 571 CD ARG A 37 0.198 3.180 -8.183 1.00 0.00 C ATOM 572 NE ARG A 37 1.362 2.560 -8.878 1.00 0.00 N ATOM 573 CZ ARG A 37 1.246 2.160 -10.116 1.00 0.00 C ATOM 574 NH1 ARG A 37 0.958 3.019 -11.055 1.00 0.00 N ATOM 575 NH2 ARG A 37 1.417 0.901 -10.414 1.00 0.00 N ATOM 0 H ARG A 37 -1.853 2.955 -4.288 1.00 0.00 H new ATOM 0 HA ARG A 37 -1.816 5.553 -5.600 1.00 0.00 H new ATOM 0 HB2 ARG A 37 0.147 5.358 -6.907 1.00 0.00 H new ATOM 0 HB3 ARG A 37 0.689 4.890 -5.308 1.00 0.00 H new ATOM 0 HG2 ARG A 37 1.532 3.070 -6.484 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -0.072 2.437 -6.169 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -0.706 2.603 -8.379 1.00 0.00 H new ATOM 0 HD3 ARG A 37 0.024 4.185 -8.568 1.00 0.00 H new ATOM 0 HE ARG A 37 2.249 2.448 -8.387 1.00 0.00 H new ATOM 0 HH11 ARG A 37 0.823 4.003 -10.822 1.00 0.00 H new ATOM 0 HH12 ARG A 37 0.867 2.707 -12.022 1.00 0.00 H new ATOM 0 HH21 ARG A 37 1.641 0.229 -9.680 1.00 0.00 H new ATOM 0 HH22 ARG A 37 1.326 0.589 -11.381 1.00 0.00 H new ATOM 589 N LYS A 38 -2.523 4.260 -7.797 1.00 0.00 N ATOM 590 CA LYS A 38 -3.334 3.502 -8.790 1.00 0.00 C ATOM 591 C LYS A 38 -2.512 3.286 -10.057 1.00 0.00 C ATOM 592 O LYS A 38 -1.425 3.806 -10.208 1.00 0.00 O ATOM 593 CB LYS A 38 -4.609 4.276 -9.148 1.00 0.00 C ATOM 594 CG LYS A 38 -4.887 5.347 -8.093 1.00 0.00 C ATOM 595 CD LYS A 38 -5.143 4.676 -6.743 1.00 0.00 C ATOM 596 CE LYS A 38 -4.386 5.429 -5.648 1.00 0.00 C ATOM 597 NZ LYS A 38 -5.362 6.081 -4.730 1.00 0.00 N ATOM 0 H LYS A 38 -2.215 5.184 -8.098 1.00 0.00 H new ATOM 0 HA LYS A 38 -3.611 2.543 -8.353 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -4.499 4.740 -10.128 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.454 3.590 -9.213 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -4.039 6.028 -8.018 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -5.751 5.944 -8.384 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -6.211 4.671 -6.524 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -4.819 3.636 -6.775 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -3.750 4.741 -5.091 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -3.732 6.179 -6.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -5.290 7.114 -4.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -6.326 5.777 -4.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -5.152 5.808 -3.749 1.00 0.00 H new ATOM 611 N ARG A 39 -3.036 2.528 -10.972 1.00 0.00 N ATOM 612 CA ARG A 39 -2.308 2.271 -12.247 1.00 0.00 C ATOM 613 C ARG A 39 -2.709 3.338 -13.267 1.00 0.00 C ATOM 614 O ARG A 39 -2.820 4.503 -12.942 1.00 0.00 O ATOM 615 CB ARG A 39 -2.674 0.873 -12.755 1.00 0.00 C ATOM 616 CG ARG A 39 -2.266 -0.168 -11.710 1.00 0.00 C ATOM 617 CD ARG A 39 -3.356 -0.272 -10.639 1.00 0.00 C ATOM 618 NE ARG A 39 -3.636 -1.705 -10.329 1.00 0.00 N ATOM 619 CZ ARG A 39 -3.655 -2.597 -11.282 1.00 0.00 C ATOM 620 NH1 ARG A 39 -4.761 -2.838 -11.930 1.00 0.00 N ATOM 621 NH2 ARG A 39 -2.565 -3.247 -11.588 1.00 0.00 N ATOM 0 H ARG A 39 -3.944 2.070 -10.894 1.00 0.00 H new ATOM 0 HA ARG A 39 -1.230 2.317 -12.091 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -3.745 0.812 -12.947 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.169 0.673 -13.700 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.116 -1.137 -12.186 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -1.317 0.113 -11.252 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -3.039 0.248 -9.735 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -4.266 0.217 -10.986 1.00 0.00 H new ATOM 0 HE ARG A 39 -3.814 -1.989 -9.366 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -5.613 -2.329 -11.692 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -4.774 -3.535 -12.674 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -1.699 -3.058 -11.083 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -2.579 -3.944 -12.332 1.00 0.00 H new ATOM 635 N ASN A 40 -2.923 2.957 -14.494 1.00 0.00 N ATOM 636 CA ASN A 40 -3.323 3.954 -15.531 1.00 0.00 C ATOM 637 C ASN A 40 -4.850 4.089 -15.527 1.00 0.00 C ATOM 638 O ASN A 40 -5.505 3.831 -16.517 1.00 0.00 O ATOM 639 CB ASN A 40 -2.851 3.478 -16.906 1.00 0.00 C ATOM 640 CG ASN A 40 -1.327 3.578 -16.985 1.00 0.00 C ATOM 641 OD1 ASN A 40 -0.743 4.523 -16.491 1.00 0.00 O ATOM 642 ND2 ASN A 40 -0.653 2.638 -17.589 1.00 0.00 N ATOM 0 H ASN A 40 -2.839 1.997 -14.827 1.00 0.00 H new ATOM 0 HA ASN A 40 -2.868 4.920 -15.312 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -3.168 2.449 -17.075 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -3.307 4.084 -17.689 1.00 0.00 H new ATOM 0 HD21 ASN A 40 0.364 2.696 -17.647 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -1.143 1.845 -18.003 1.00 0.00 H new ATOM 649 N GLU A 41 -5.403 4.479 -14.403 1.00 0.00 N ATOM 650 CA GLU A 41 -6.884 4.633 -14.254 1.00 0.00 C ATOM 651 C GLU A 41 -7.640 3.570 -15.052 1.00 0.00 C ATOM 652 O GLU A 41 -8.447 3.882 -15.906 1.00 0.00 O ATOM 653 CB GLU A 41 -7.318 6.036 -14.695 1.00 0.00 C ATOM 654 CG GLU A 41 -6.929 6.274 -16.155 1.00 0.00 C ATOM 655 CD GLU A 41 -5.474 6.742 -16.229 1.00 0.00 C ATOM 656 OE1 GLU A 41 -4.979 7.231 -15.227 1.00 0.00 O ATOM 657 OE2 GLU A 41 -4.881 6.606 -17.286 1.00 0.00 O ATOM 0 H GLU A 41 -4.874 4.703 -13.560 1.00 0.00 H new ATOM 0 HA GLU A 41 -7.130 4.498 -13.201 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -8.396 6.146 -14.576 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -6.849 6.787 -14.059 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -7.056 5.357 -16.730 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -7.585 7.022 -16.599 1.00 0.00 H new ATOM 664 N PRO A 42 -7.365 2.340 -14.719 1.00 0.00 N ATOM 665 CA PRO A 42 -7.983 1.135 -15.321 1.00 0.00 C ATOM 666 C PRO A 42 -9.320 0.859 -14.640 1.00 0.00 C ATOM 667 O PRO A 42 -10.376 1.212 -15.126 1.00 0.00 O ATOM 668 CB PRO A 42 -7.009 -0.003 -15.033 1.00 0.00 C ATOM 669 CG PRO A 42 -6.197 0.435 -13.808 1.00 0.00 C ATOM 670 CD PRO A 42 -6.376 1.945 -13.679 1.00 0.00 C ATOM 0 HA PRO A 42 -8.167 1.252 -16.389 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -7.543 -0.933 -14.835 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -6.358 -0.185 -15.888 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -6.547 -0.074 -12.910 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -5.144 0.179 -13.930 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -6.732 2.210 -12.684 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -5.428 2.463 -13.827 1.00 0.00 H new ATOM 678 N ASN A 43 -9.262 0.231 -13.507 1.00 0.00 N ATOM 679 CA ASN A 43 -10.494 -0.090 -12.740 1.00 0.00 C ATOM 680 C ASN A 43 -10.081 -0.690 -11.395 1.00 0.00 C ATOM 681 O ASN A 43 -10.501 -1.770 -11.034 1.00 0.00 O ATOM 682 CB ASN A 43 -11.336 -1.102 -13.522 1.00 0.00 C ATOM 683 CG ASN A 43 -12.660 -1.340 -12.793 1.00 0.00 C ATOM 684 OD1 ASN A 43 -13.098 -2.466 -12.657 1.00 0.00 O ATOM 685 ND2 ASN A 43 -13.321 -0.322 -12.315 1.00 0.00 N ATOM 0 H ASN A 43 -8.395 -0.081 -13.069 1.00 0.00 H new ATOM 0 HA ASN A 43 -11.085 0.812 -12.581 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -11.525 -0.731 -14.529 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -10.792 -2.041 -13.625 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -14.205 -0.471 -11.828 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -12.954 0.623 -12.429 1.00 0.00 H new ATOM 692 N SER A 44 -9.248 0.007 -10.659 1.00 0.00 N ATOM 693 CA SER A 44 -8.781 -0.511 -9.338 1.00 0.00 C ATOM 694 C SER A 44 -7.580 0.318 -8.862 1.00 0.00 C ATOM 695 O SER A 44 -6.920 0.975 -9.643 1.00 0.00 O ATOM 696 CB SER A 44 -8.347 -1.971 -9.485 1.00 0.00 C ATOM 697 OG SER A 44 -7.614 -2.122 -10.693 1.00 0.00 O ATOM 0 H SER A 44 -8.871 0.918 -10.920 1.00 0.00 H new ATOM 0 HA SER A 44 -9.594 -0.438 -8.615 1.00 0.00 H new ATOM 0 HB2 SER A 44 -7.734 -2.268 -8.634 1.00 0.00 H new ATOM 0 HB3 SER A 44 -9.220 -2.623 -9.492 1.00 0.00 H new ATOM 0 HG SER A 44 -8.067 -2.770 -11.272 1.00 0.00 H new ATOM 703 N TYR A 45 -7.293 0.291 -7.586 1.00 0.00 N ATOM 704 CA TYR A 45 -6.136 1.075 -7.057 1.00 0.00 C ATOM 705 C TYR A 45 -5.017 0.112 -6.645 1.00 0.00 C ATOM 706 O TYR A 45 -4.949 -1.004 -7.120 1.00 0.00 O ATOM 707 CB TYR A 45 -6.589 1.882 -5.840 1.00 0.00 C ATOM 708 CG TYR A 45 -7.900 2.563 -6.152 1.00 0.00 C ATOM 709 CD1 TYR A 45 -8.004 3.400 -7.270 1.00 0.00 C ATOM 710 CD2 TYR A 45 -9.011 2.357 -5.327 1.00 0.00 C ATOM 711 CE1 TYR A 45 -9.219 4.031 -7.562 1.00 0.00 C ATOM 712 CE2 TYR A 45 -10.226 2.988 -5.618 1.00 0.00 C ATOM 713 CZ TYR A 45 -10.330 3.825 -6.736 1.00 0.00 C ATOM 714 OH TYR A 45 -11.528 4.446 -7.023 1.00 0.00 O ATOM 0 H TYR A 45 -7.811 -0.241 -6.886 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.767 1.752 -7.827 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -6.703 1.226 -4.977 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -5.834 2.624 -5.580 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -7.147 3.559 -7.907 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -8.931 1.711 -4.465 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -9.299 4.676 -8.424 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -11.083 2.829 -4.980 1.00 0.00 H new ATOM 0 HH TYR A 45 -12.196 4.195 -6.351 1.00 0.00 H new ATOM 724 N ALA A 46 -4.137 0.524 -5.767 1.00 0.00 N ATOM 725 CA ALA A 46 -3.041 -0.391 -5.349 1.00 0.00 C ATOM 726 C ALA A 46 -2.372 0.144 -4.082 1.00 0.00 C ATOM 727 O ALA A 46 -2.796 1.129 -3.511 1.00 0.00 O ATOM 728 CB ALA A 46 -2.002 -0.489 -6.468 1.00 0.00 C ATOM 0 H ALA A 46 -4.132 1.445 -5.328 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.457 -1.378 -5.148 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.199 -1.159 -6.161 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.474 -0.877 -7.370 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.591 0.500 -6.671 1.00 0.00 H new ATOM 734 N ILE A 47 -1.330 -0.502 -3.643 1.00 0.00 N ATOM 735 CA ILE A 47 -0.624 -0.044 -2.415 1.00 0.00 C ATOM 736 C ILE A 47 0.880 -0.229 -2.612 1.00 0.00 C ATOM 737 O ILE A 47 1.352 -1.325 -2.832 1.00 0.00 O ATOM 738 CB ILE A 47 -1.093 -0.876 -1.221 1.00 0.00 C ATOM 739 CG1 ILE A 47 -2.496 -0.428 -0.807 1.00 0.00 C ATOM 740 CG2 ILE A 47 -0.132 -0.690 -0.047 1.00 0.00 C ATOM 741 CD1 ILE A 47 -3.137 -1.500 0.075 1.00 0.00 C ATOM 0 H ILE A 47 -0.934 -1.332 -4.084 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.844 1.007 -2.228 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.113 -1.928 -1.504 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -2.442 0.517 -0.267 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -3.109 -0.256 -1.691 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.473 -1.286 0.800 1.00 0.00 H new ATOM 0 HG22 ILE A 47 0.867 -1.013 -0.340 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.104 0.362 0.237 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -4.136 -1.179 0.369 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -3.205 -2.435 -0.480 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.527 -1.650 0.966 1.00 0.00 H new ATOM 753 N SER A 48 1.637 0.831 -2.543 1.00 0.00 N ATOM 754 CA SER A 48 3.110 0.710 -2.736 1.00 0.00 C ATOM 755 C SER A 48 3.821 0.874 -1.392 1.00 0.00 C ATOM 756 O SER A 48 3.644 1.858 -0.703 1.00 0.00 O ATOM 757 CB SER A 48 3.587 1.797 -3.699 1.00 0.00 C ATOM 758 OG SER A 48 2.825 2.978 -3.485 1.00 0.00 O ATOM 0 H SER A 48 1.299 1.776 -2.361 1.00 0.00 H new ATOM 0 HA SER A 48 3.341 -0.272 -3.149 1.00 0.00 H new ATOM 0 HB2 SER A 48 4.646 2.000 -3.542 1.00 0.00 H new ATOM 0 HB3 SER A 48 3.477 1.460 -4.730 1.00 0.00 H new ATOM 0 HG SER A 48 3.128 3.679 -4.099 1.00 0.00 H new ATOM 764 N PHE A 49 4.628 -0.080 -1.015 1.00 0.00 N ATOM 765 CA PHE A 49 5.351 0.028 0.283 1.00 0.00 C ATOM 766 C PHE A 49 6.584 -0.878 0.257 1.00 0.00 C ATOM 767 O PHE A 49 6.627 -1.863 -0.451 1.00 0.00 O ATOM 768 CB PHE A 49 4.421 -0.404 1.420 1.00 0.00 C ATOM 769 CG PHE A 49 4.024 -1.849 1.227 1.00 0.00 C ATOM 770 CD1 PHE A 49 3.251 -2.221 0.122 1.00 0.00 C ATOM 771 CD2 PHE A 49 4.428 -2.814 2.157 1.00 0.00 C ATOM 772 CE1 PHE A 49 2.882 -3.560 -0.053 1.00 0.00 C ATOM 773 CE2 PHE A 49 4.058 -4.153 1.982 1.00 0.00 C ATOM 774 CZ PHE A 49 3.285 -4.527 0.875 1.00 0.00 C ATOM 0 H PHE A 49 4.817 -0.928 -1.549 1.00 0.00 H new ATOM 0 HA PHE A 49 5.664 1.060 0.442 1.00 0.00 H new ATOM 0 HB2 PHE A 49 4.921 -0.279 2.380 1.00 0.00 H new ATOM 0 HB3 PHE A 49 3.533 0.228 1.438 1.00 0.00 H new ATOM 0 HD1 PHE A 49 2.939 -1.476 -0.595 1.00 0.00 H new ATOM 0 HD2 PHE A 49 5.025 -2.526 3.010 1.00 0.00 H new ATOM 0 HE1 PHE A 49 2.285 -3.847 -0.906 1.00 0.00 H new ATOM 0 HE2 PHE A 49 4.368 -4.897 2.700 1.00 0.00 H new ATOM 0 HZ PHE A 49 3.001 -5.560 0.738 1.00 0.00 H new ATOM 784 N ARG A 50 7.586 -0.556 1.025 1.00 0.00 N ATOM 785 CA ARG A 50 8.810 -1.405 1.041 1.00 0.00 C ATOM 786 C ARG A 50 9.340 -1.505 2.471 1.00 0.00 C ATOM 787 O ARG A 50 8.826 -0.879 3.377 1.00 0.00 O ATOM 788 CB ARG A 50 9.881 -0.784 0.140 1.00 0.00 C ATOM 789 CG ARG A 50 10.412 0.497 0.784 1.00 0.00 C ATOM 790 CD ARG A 50 11.654 0.972 0.025 1.00 0.00 C ATOM 791 NE ARG A 50 12.850 0.226 0.510 1.00 0.00 N ATOM 792 CZ ARG A 50 13.953 0.238 -0.188 1.00 0.00 C ATOM 793 NH1 ARG A 50 14.445 1.371 -0.610 1.00 0.00 N ATOM 794 NH2 ARG A 50 14.565 -0.882 -0.461 1.00 0.00 N ATOM 0 H ARG A 50 7.611 0.256 1.641 1.00 0.00 H new ATOM 0 HA ARG A 50 8.564 -2.401 0.673 1.00 0.00 H new ATOM 0 HB2 ARG A 50 10.696 -1.491 -0.014 1.00 0.00 H new ATOM 0 HB3 ARG A 50 9.462 -0.563 -0.842 1.00 0.00 H new ATOM 0 HG2 ARG A 50 9.644 1.271 0.767 1.00 0.00 H new ATOM 0 HG3 ARG A 50 10.659 0.316 1.830 1.00 0.00 H new ATOM 0 HD2 ARG A 50 11.522 0.812 -1.045 1.00 0.00 H new ATOM 0 HD3 ARG A 50 11.796 2.043 0.172 1.00 0.00 H new ATOM 0 HE ARG A 50 12.807 -0.293 1.387 1.00 0.00 H new ATOM 0 HH11 ARG A 50 13.968 2.246 -0.394 1.00 0.00 H new ATOM 0 HH12 ARG A 50 15.307 1.381 -1.155 1.00 0.00 H new ATOM 0 HH21 ARG A 50 14.181 -1.767 -0.129 1.00 0.00 H new ATOM 0 HH22 ARG A 50 15.427 -0.872 -1.006 1.00 0.00 H new ATOM 808 N ALA A 51 10.364 -2.285 2.681 1.00 0.00 N ATOM 809 CA ALA A 51 10.927 -2.425 4.052 1.00 0.00 C ATOM 810 C ALA A 51 12.262 -3.168 3.981 1.00 0.00 C ATOM 811 O ALA A 51 12.426 -4.095 3.212 1.00 0.00 O ATOM 812 CB ALA A 51 9.949 -3.213 4.926 1.00 0.00 C ATOM 0 H ALA A 51 10.836 -2.832 1.961 1.00 0.00 H new ATOM 0 HA ALA A 51 11.085 -1.437 4.484 1.00 0.00 H new ATOM 0 HB1 ALA A 51 10.360 -3.316 5.930 1.00 0.00 H new ATOM 0 HB2 ALA A 51 8.998 -2.683 4.976 1.00 0.00 H new ATOM 0 HB3 ALA A 51 9.791 -4.202 4.495 1.00 0.00 H new ATOM 818 N GLU A 52 13.217 -2.769 4.776 1.00 0.00 N ATOM 819 CA GLU A 52 14.542 -3.451 4.754 1.00 0.00 C ATOM 820 C GLU A 52 15.144 -3.363 3.349 1.00 0.00 C ATOM 821 O GLU A 52 15.779 -2.389 2.998 1.00 0.00 O ATOM 822 CB GLU A 52 14.371 -4.920 5.152 1.00 0.00 C ATOM 823 CG GLU A 52 15.708 -5.648 5.002 1.00 0.00 C ATOM 824 CD GLU A 52 15.794 -6.775 6.033 1.00 0.00 C ATOM 825 OE1 GLU A 52 14.757 -7.317 6.376 1.00 0.00 O ATOM 826 OE2 GLU A 52 16.896 -7.076 6.461 1.00 0.00 O ATOM 0 H GLU A 52 13.137 -1.999 5.440 1.00 0.00 H new ATOM 0 HA GLU A 52 15.211 -2.962 5.462 1.00 0.00 H new ATOM 0 HB2 GLU A 52 14.020 -4.990 6.182 1.00 0.00 H new ATOM 0 HB3 GLU A 52 13.615 -5.392 4.524 1.00 0.00 H new ATOM 0 HG2 GLU A 52 15.802 -6.054 3.995 1.00 0.00 H new ATOM 0 HG3 GLU A 52 16.533 -4.949 5.142 1.00 0.00 H new ATOM 833 N GLY A 53 14.951 -4.370 2.539 1.00 0.00 N ATOM 834 CA GLY A 53 15.516 -4.334 1.160 1.00 0.00 C ATOM 835 C GLY A 53 14.639 -5.171 0.227 1.00 0.00 C ATOM 836 O GLY A 53 15.124 -5.844 -0.659 1.00 0.00 O ATOM 0 H GLY A 53 14.428 -5.214 2.773 1.00 0.00 H new ATOM 0 HA2 GLY A 53 15.567 -3.305 0.803 1.00 0.00 H new ATOM 0 HA3 GLY A 53 16.535 -4.721 1.163 1.00 0.00 H new ATOM 840 N LYS A 54 13.349 -5.133 0.421 1.00 0.00 N ATOM 841 CA LYS A 54 12.440 -5.925 -0.455 1.00 0.00 C ATOM 842 C LYS A 54 11.191 -5.101 -0.771 1.00 0.00 C ATOM 843 O LYS A 54 10.214 -5.135 -0.050 1.00 0.00 O ATOM 844 CB LYS A 54 12.034 -7.212 0.263 1.00 0.00 C ATOM 845 CG LYS A 54 11.742 -6.910 1.734 1.00 0.00 C ATOM 846 CD LYS A 54 11.096 -8.133 2.387 1.00 0.00 C ATOM 847 CE LYS A 54 10.383 -7.713 3.673 1.00 0.00 C ATOM 848 NZ LYS A 54 10.531 -8.787 4.696 1.00 0.00 N ATOM 0 H LYS A 54 12.885 -4.588 1.148 1.00 0.00 H new ATOM 0 HA LYS A 54 12.955 -6.174 -1.383 1.00 0.00 H new ATOM 0 HB2 LYS A 54 11.152 -7.643 -0.212 1.00 0.00 H new ATOM 0 HB3 LYS A 54 12.831 -7.951 0.185 1.00 0.00 H new ATOM 0 HG2 LYS A 54 12.665 -6.652 2.253 1.00 0.00 H new ATOM 0 HG3 LYS A 54 11.079 -6.049 1.815 1.00 0.00 H new ATOM 0 HD2 LYS A 54 10.386 -8.592 1.699 1.00 0.00 H new ATOM 0 HD3 LYS A 54 11.855 -8.883 2.609 1.00 0.00 H new ATOM 0 HE2 LYS A 54 10.804 -6.779 4.047 1.00 0.00 H new ATOM 0 HE3 LYS A 54 9.327 -7.529 3.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 10.046 -8.502 5.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 10.110 -9.668 4.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 11.540 -8.941 4.894 1.00 0.00 H new ATOM 862 N ILE A 55 11.213 -4.360 -1.846 1.00 0.00 N ATOM 863 CA ILE A 55 10.026 -3.534 -2.206 1.00 0.00 C ATOM 864 C ILE A 55 8.852 -4.450 -2.558 1.00 0.00 C ATOM 865 O ILE A 55 9.030 -5.606 -2.885 1.00 0.00 O ATOM 866 CB ILE A 55 10.366 -2.653 -3.410 1.00 0.00 C ATOM 867 CG1 ILE A 55 11.702 -1.949 -3.161 1.00 0.00 C ATOM 868 CG2 ILE A 55 9.268 -1.606 -3.604 1.00 0.00 C ATOM 869 CD1 ILE A 55 12.807 -2.661 -3.942 1.00 0.00 C ATOM 0 H ILE A 55 12.001 -4.291 -2.490 1.00 0.00 H new ATOM 0 HA ILE A 55 9.752 -2.904 -1.360 1.00 0.00 H new ATOM 0 HB ILE A 55 10.439 -3.271 -4.305 1.00 0.00 H new ATOM 0 HG12 ILE A 55 11.638 -0.906 -3.470 1.00 0.00 H new ATOM 0 HG13 ILE A 55 11.934 -1.953 -2.096 1.00 0.00 H new ATOM 0 HG21 ILE A 55 9.511 -0.979 -4.462 1.00 0.00 H new ATOM 0 HG22 ILE A 55 8.315 -2.106 -3.778 1.00 0.00 H new ATOM 0 HG23 ILE A 55 9.194 -0.986 -2.710 1.00 0.00 H new ATOM 0 HD11 ILE A 55 13.759 -2.160 -3.765 1.00 0.00 H new ATOM 0 HD12 ILE A 55 12.876 -3.698 -3.612 1.00 0.00 H new ATOM 0 HD13 ILE A 55 12.575 -2.634 -5.007 1.00 0.00 H new ATOM 881 N LYS A 56 7.652 -3.940 -2.491 1.00 0.00 N ATOM 882 CA LYS A 56 6.464 -4.778 -2.820 1.00 0.00 C ATOM 883 C LYS A 56 5.202 -3.913 -2.774 1.00 0.00 C ATOM 884 O LYS A 56 4.989 -3.158 -1.848 1.00 0.00 O ATOM 885 CB LYS A 56 6.342 -5.908 -1.795 1.00 0.00 C ATOM 886 CG LYS A 56 6.600 -5.354 -0.393 1.00 0.00 C ATOM 887 CD LYS A 56 6.262 -6.420 0.650 1.00 0.00 C ATOM 888 CE LYS A 56 6.452 -5.841 2.053 1.00 0.00 C ATOM 889 NZ LYS A 56 7.809 -6.192 2.557 1.00 0.00 N ATOM 0 H LYS A 56 7.443 -2.978 -2.222 1.00 0.00 H new ATOM 0 HA LYS A 56 6.580 -5.200 -3.818 1.00 0.00 H new ATOM 0 HB2 LYS A 56 5.348 -6.353 -1.845 1.00 0.00 H new ATOM 0 HB3 LYS A 56 7.057 -6.699 -2.023 1.00 0.00 H new ATOM 0 HG2 LYS A 56 7.643 -5.054 -0.296 1.00 0.00 H new ATOM 0 HG3 LYS A 56 5.995 -4.463 -0.226 1.00 0.00 H new ATOM 0 HD2 LYS A 56 5.234 -6.757 0.521 1.00 0.00 H new ATOM 0 HD3 LYS A 56 6.902 -7.292 0.515 1.00 0.00 H new ATOM 0 HE2 LYS A 56 6.330 -4.758 2.030 1.00 0.00 H new ATOM 0 HE3 LYS A 56 5.690 -6.234 2.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 7.773 -6.325 3.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 8.130 -7.072 2.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 8.473 -5.424 2.330 1.00 0.00 H new ATOM 903 N HIS A 57 4.363 -4.015 -3.766 1.00 0.00 N ATOM 904 CA HIS A 57 3.118 -3.194 -3.770 1.00 0.00 C ATOM 905 C HIS A 57 1.912 -4.107 -3.986 1.00 0.00 C ATOM 906 O HIS A 57 1.824 -4.798 -4.974 1.00 0.00 O ATOM 907 CB HIS A 57 3.176 -2.158 -4.901 1.00 0.00 C ATOM 908 CG HIS A 57 4.609 -1.849 -5.244 1.00 0.00 C ATOM 909 ND1 HIS A 57 5.460 -2.798 -5.787 1.00 0.00 N ATOM 910 CD2 HIS A 57 5.352 -0.700 -5.131 1.00 0.00 C ATOM 911 CE1 HIS A 57 6.656 -2.210 -5.977 1.00 0.00 C ATOM 912 NE2 HIS A 57 6.644 -0.931 -5.594 1.00 0.00 N ATOM 0 H HIS A 57 4.483 -4.628 -4.572 1.00 0.00 H new ATOM 0 HA HIS A 57 3.027 -2.678 -2.814 1.00 0.00 H new ATOM 0 HB2 HIS A 57 2.657 -2.539 -5.781 1.00 0.00 H new ATOM 0 HB3 HIS A 57 2.662 -1.246 -4.597 1.00 0.00 H new ATOM 0 HD2 HIS A 57 4.989 0.240 -4.742 1.00 0.00 H new ATOM 0 HE1 HIS A 57 7.519 -2.711 -6.389 1.00 0.00 H new ATOM 0 HE2 HIS A 57 7.416 -0.266 -5.632 1.00 0.00 H new ATOM 920 N CYS A 58 0.977 -4.119 -3.078 1.00 0.00 N ATOM 921 CA CYS A 58 -0.210 -5.002 -3.264 1.00 0.00 C ATOM 922 C CYS A 58 -1.174 -4.349 -4.265 1.00 0.00 C ATOM 923 O CYS A 58 -0.858 -3.351 -4.880 1.00 0.00 O ATOM 924 CB CYS A 58 -0.887 -5.248 -1.897 1.00 0.00 C ATOM 925 SG CYS A 58 -2.274 -4.109 -1.618 1.00 0.00 S ATOM 0 H CYS A 58 0.981 -3.562 -2.223 1.00 0.00 H new ATOM 0 HA CYS A 58 0.094 -5.968 -3.667 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -1.245 -6.276 -1.848 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -0.152 -5.129 -1.101 1.00 0.00 H new ATOM 0 HG CYS A 58 -2.483 -3.984 -0.341 1.00 0.00 H new ATOM 931 N ARG A 59 -2.345 -4.903 -4.435 1.00 0.00 N ATOM 932 CA ARG A 59 -3.311 -4.302 -5.399 1.00 0.00 C ATOM 933 C ARG A 59 -4.736 -4.435 -4.855 1.00 0.00 C ATOM 934 O ARG A 59 -5.053 -5.355 -4.128 1.00 0.00 O ATOM 935 CB ARG A 59 -3.211 -5.023 -6.746 1.00 0.00 C ATOM 936 CG ARG A 59 -3.663 -6.476 -6.590 1.00 0.00 C ATOM 937 CD ARG A 59 -2.515 -7.316 -6.026 1.00 0.00 C ATOM 938 NE ARG A 59 -2.661 -8.732 -6.476 1.00 0.00 N ATOM 939 CZ ARG A 59 -3.846 -9.270 -6.580 1.00 0.00 C ATOM 940 NH1 ARG A 59 -4.598 -9.401 -5.521 1.00 0.00 N ATOM 941 NH2 ARG A 59 -4.278 -9.677 -7.741 1.00 0.00 N ATOM 0 H ARG A 59 -2.672 -5.740 -3.952 1.00 0.00 H new ATOM 0 HA ARG A 59 -3.072 -3.247 -5.533 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -3.831 -4.517 -7.487 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -2.185 -4.989 -7.112 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -4.526 -6.529 -5.926 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -3.978 -6.874 -7.554 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -1.559 -6.914 -6.361 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -2.517 -7.268 -4.937 1.00 0.00 H new ATOM 0 HE ARG A 59 -1.832 -9.281 -6.703 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -4.260 -9.083 -4.613 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -5.524 -9.821 -5.602 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -3.690 -9.575 -8.568 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -5.204 -10.097 -7.822 1.00 0.00 H new ATOM 955 N VAL A 60 -5.596 -3.517 -5.206 1.00 0.00 N ATOM 956 CA VAL A 60 -7.002 -3.581 -4.716 1.00 0.00 C ATOM 957 C VAL A 60 -7.957 -3.477 -5.909 1.00 0.00 C ATOM 958 O VAL A 60 -8.109 -2.428 -6.502 1.00 0.00 O ATOM 959 CB VAL A 60 -7.258 -2.419 -3.754 1.00 0.00 C ATOM 960 CG1 VAL A 60 -6.829 -2.821 -2.343 1.00 0.00 C ATOM 961 CG2 VAL A 60 -6.451 -1.197 -4.201 1.00 0.00 C ATOM 0 H VAL A 60 -5.384 -2.724 -5.812 1.00 0.00 H new ATOM 0 HA VAL A 60 -7.168 -4.525 -4.197 1.00 0.00 H new ATOM 0 HB VAL A 60 -8.320 -2.175 -3.757 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -7.011 -1.993 -1.658 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -7.402 -3.691 -2.022 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.767 -3.066 -2.342 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -6.634 -0.370 -3.515 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -5.389 -1.442 -4.199 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.755 -0.908 -5.207 1.00 0.00 H new ATOM 971 N GLN A 61 -8.598 -4.557 -6.268 1.00 0.00 N ATOM 972 CA GLN A 61 -9.536 -4.515 -7.427 1.00 0.00 C ATOM 973 C GLN A 61 -10.981 -4.584 -6.931 1.00 0.00 C ATOM 974 O GLN A 61 -11.369 -5.508 -6.246 1.00 0.00 O ATOM 975 CB GLN A 61 -9.257 -5.702 -8.352 1.00 0.00 C ATOM 976 CG GLN A 61 -8.851 -5.189 -9.735 1.00 0.00 C ATOM 977 CD GLN A 61 -8.044 -6.265 -10.462 1.00 0.00 C ATOM 978 OE1 GLN A 61 -8.469 -6.779 -11.478 1.00 0.00 O ATOM 979 NE2 GLN A 61 -6.888 -6.632 -9.981 1.00 0.00 N ATOM 0 H GLN A 61 -8.513 -5.464 -5.810 1.00 0.00 H new ATOM 0 HA GLN A 61 -9.389 -3.583 -7.973 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -8.463 -6.322 -7.935 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -10.144 -6.330 -8.432 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -9.738 -4.932 -10.314 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -8.259 -4.279 -9.638 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -6.530 -6.201 -9.128 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -6.342 -7.350 -10.458 1.00 0.00 H new ATOM 988 N GLN A 62 -11.781 -3.613 -7.279 1.00 0.00 N ATOM 989 CA GLN A 62 -13.202 -3.620 -6.831 1.00 0.00 C ATOM 990 C GLN A 62 -14.049 -4.425 -7.817 1.00 0.00 C ATOM 991 O GLN A 62 -13.920 -4.291 -9.018 1.00 0.00 O ATOM 992 CB GLN A 62 -13.721 -2.182 -6.770 1.00 0.00 C ATOM 993 CG GLN A 62 -13.269 -1.533 -5.462 1.00 0.00 C ATOM 994 CD GLN A 62 -12.693 -0.146 -5.752 1.00 0.00 C ATOM 995 OE1 GLN A 62 -11.559 -0.020 -6.168 1.00 0.00 O ATOM 996 NE2 GLN A 62 -13.434 0.910 -5.550 1.00 0.00 N ATOM 0 H GLN A 62 -11.511 -2.815 -7.854 1.00 0.00 H new ATOM 0 HA GLN A 62 -13.268 -4.076 -5.843 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -13.346 -1.612 -7.620 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -14.809 -2.173 -6.836 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -14.111 -1.452 -4.774 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -12.518 -2.156 -4.975 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -14.387 0.805 -5.201 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -13.060 1.840 -5.742 1.00 0.00 H new ATOM 1005 N GLU A 63 -14.918 -5.262 -7.319 1.00 0.00 N ATOM 1006 CA GLU A 63 -15.775 -6.075 -8.225 1.00 0.00 C ATOM 1007 C GLU A 63 -17.056 -6.478 -7.491 1.00 0.00 C ATOM 1008 O GLU A 63 -17.069 -7.410 -6.712 1.00 0.00 O ATOM 1009 CB GLU A 63 -15.016 -7.332 -8.657 1.00 0.00 C ATOM 1010 CG GLU A 63 -14.292 -7.932 -7.451 1.00 0.00 C ATOM 1011 CD GLU A 63 -13.346 -9.039 -7.921 1.00 0.00 C ATOM 1012 OE1 GLU A 63 -12.567 -8.781 -8.823 1.00 0.00 O ATOM 1013 OE2 GLU A 63 -13.418 -10.126 -7.372 1.00 0.00 O ATOM 0 H GLU A 63 -15.071 -5.417 -6.323 1.00 0.00 H new ATOM 0 HA GLU A 63 -16.031 -5.486 -9.106 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -15.709 -8.061 -9.078 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -14.298 -7.085 -9.439 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -13.731 -7.157 -6.928 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -15.016 -8.334 -6.742 1.00 0.00 H new ATOM 1020 N GLY A 64 -18.134 -5.782 -7.731 1.00 0.00 N ATOM 1021 CA GLY A 64 -19.411 -6.127 -7.044 1.00 0.00 C ATOM 1022 C GLY A 64 -19.744 -5.055 -6.006 1.00 0.00 C ATOM 1023 O GLY A 64 -20.208 -5.350 -4.922 1.00 0.00 O ATOM 0 H GLY A 64 -18.186 -4.990 -8.372 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -20.218 -6.204 -7.773 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -19.324 -7.100 -6.561 1.00 0.00 H new ATOM 1027 N GLN A 65 -19.513 -3.811 -6.327 1.00 0.00 N ATOM 1028 CA GLN A 65 -19.818 -2.721 -5.358 1.00 0.00 C ATOM 1029 C GLN A 65 -18.920 -2.861 -4.127 1.00 0.00 C ATOM 1030 O GLN A 65 -19.113 -2.199 -3.127 1.00 0.00 O ATOM 1031 CB GLN A 65 -21.285 -2.810 -4.932 1.00 0.00 C ATOM 1032 CG GLN A 65 -22.076 -1.674 -5.584 1.00 0.00 C ATOM 1033 CD GLN A 65 -22.096 -0.462 -4.650 1.00 0.00 C ATOM 1034 OE1 GLN A 65 -22.777 -0.466 -3.645 1.00 0.00 O ATOM 1035 NE2 GLN A 65 -21.372 0.583 -4.944 1.00 0.00 N ATOM 0 H GLN A 65 -19.126 -3.503 -7.219 1.00 0.00 H new ATOM 0 HA GLN A 65 -19.635 -1.756 -5.831 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -21.702 -3.773 -5.226 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -21.364 -2.746 -3.847 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -21.624 -1.403 -6.538 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -23.094 -2.000 -5.795 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -20.800 0.586 -5.788 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -21.378 1.397 -4.329 1.00 0.00 H new ATOM 1044 N THR A 66 -17.940 -3.720 -4.189 1.00 0.00 N ATOM 1045 CA THR A 66 -17.034 -3.900 -3.022 1.00 0.00 C ATOM 1046 C THR A 66 -15.581 -3.855 -3.494 1.00 0.00 C ATOM 1047 O THR A 66 -15.303 -3.828 -4.676 1.00 0.00 O ATOM 1048 CB THR A 66 -17.311 -5.250 -2.363 1.00 0.00 C ATOM 1049 OG1 THR A 66 -18.616 -5.688 -2.715 1.00 0.00 O ATOM 1050 CG2 THR A 66 -17.208 -5.110 -0.843 1.00 0.00 C ATOM 0 H THR A 66 -17.728 -4.305 -4.998 1.00 0.00 H new ATOM 0 HA THR A 66 -17.209 -3.101 -2.301 1.00 0.00 H new ATOM 0 HB THR A 66 -16.578 -5.980 -2.707 1.00 0.00 H new ATOM 0 HG1 THR A 66 -18.795 -6.555 -2.294 1.00 0.00 H new ATOM 0 HG21 THR A 66 -17.406 -6.074 -0.375 1.00 0.00 H new ATOM 0 HG22 THR A 66 -16.206 -4.776 -0.576 1.00 0.00 H new ATOM 0 HG23 THR A 66 -17.939 -4.380 -0.494 1.00 0.00 H new ATOM 1058 N VAL A 67 -14.651 -3.849 -2.580 1.00 0.00 N ATOM 1059 CA VAL A 67 -13.220 -3.808 -2.981 1.00 0.00 C ATOM 1060 C VAL A 67 -12.552 -5.139 -2.627 1.00 0.00 C ATOM 1061 O VAL A 67 -12.927 -5.800 -1.679 1.00 0.00 O ATOM 1062 CB VAL A 67 -12.516 -2.658 -2.251 1.00 0.00 C ATOM 1063 CG1 VAL A 67 -12.165 -3.080 -0.821 1.00 0.00 C ATOM 1064 CG2 VAL A 67 -11.234 -2.291 -3.000 1.00 0.00 C ATOM 0 H VAL A 67 -14.821 -3.871 -1.575 1.00 0.00 H new ATOM 0 HA VAL A 67 -13.146 -3.646 -4.056 1.00 0.00 H new ATOM 0 HB VAL A 67 -13.183 -1.797 -2.216 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -11.665 -2.256 -0.311 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -13.077 -3.339 -0.284 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -11.502 -3.945 -0.849 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -10.732 -1.473 -2.483 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -10.573 -3.157 -3.037 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -11.482 -1.980 -4.015 1.00 0.00 H new ATOM 1074 N MET A 68 -11.558 -5.529 -3.374 1.00 0.00 N ATOM 1075 CA MET A 68 -10.857 -6.809 -3.079 1.00 0.00 C ATOM 1076 C MET A 68 -9.396 -6.504 -2.747 1.00 0.00 C ATOM 1077 O MET A 68 -8.652 -6.019 -3.577 1.00 0.00 O ATOM 1078 CB MET A 68 -10.929 -7.727 -4.301 1.00 0.00 C ATOM 1079 CG MET A 68 -11.250 -9.154 -3.852 1.00 0.00 C ATOM 1080 SD MET A 68 -9.883 -10.253 -4.299 1.00 0.00 S ATOM 1081 CE MET A 68 -10.712 -11.815 -3.915 1.00 0.00 C ATOM 0 H MET A 68 -11.200 -5.015 -4.179 1.00 0.00 H new ATOM 0 HA MET A 68 -11.332 -7.307 -2.234 1.00 0.00 H new ATOM 0 HB2 MET A 68 -11.694 -7.371 -4.991 1.00 0.00 H new ATOM 0 HB3 MET A 68 -9.981 -7.709 -4.839 1.00 0.00 H new ATOM 0 HG2 MET A 68 -11.413 -9.179 -2.775 1.00 0.00 H new ATOM 0 HG3 MET A 68 -12.173 -9.495 -4.322 1.00 0.00 H new ATOM 0 HE1 MET A 68 -9.966 -12.581 -3.705 1.00 0.00 H new ATOM 0 HE2 MET A 68 -11.352 -11.683 -3.042 1.00 0.00 H new ATOM 0 HE3 MET A 68 -11.319 -12.124 -4.766 1.00 0.00 H new ATOM 1091 N LEU A 69 -8.978 -6.773 -1.542 1.00 0.00 N ATOM 1092 CA LEU A 69 -7.565 -6.479 -1.171 1.00 0.00 C ATOM 1093 C LEU A 69 -6.654 -7.599 -1.675 1.00 0.00 C ATOM 1094 O LEU A 69 -5.444 -7.488 -1.643 1.00 0.00 O ATOM 1095 CB LEU A 69 -7.435 -6.340 0.354 1.00 0.00 C ATOM 1096 CG LEU A 69 -8.238 -7.431 1.075 1.00 0.00 C ATOM 1097 CD1 LEU A 69 -7.858 -8.814 0.539 1.00 0.00 C ATOM 1098 CD2 LEU A 69 -7.926 -7.373 2.572 1.00 0.00 C ATOM 0 H LEU A 69 -9.549 -7.181 -0.802 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.265 -5.539 -1.634 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.385 -6.406 0.641 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.789 -5.357 0.665 1.00 0.00 H new ATOM 0 HG LEU A 69 -9.301 -7.263 0.902 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.436 -9.577 1.060 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.073 -8.862 -0.529 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.795 -8.988 0.704 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.493 -8.145 3.092 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.860 -7.538 2.728 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -8.203 -6.394 2.964 1.00 0.00 H new ATOM 1110 N GLY A 70 -7.221 -8.677 -2.142 1.00 0.00 N ATOM 1111 CA GLY A 70 -6.381 -9.800 -2.647 1.00 0.00 C ATOM 1112 C GLY A 70 -7.156 -11.112 -2.525 1.00 0.00 C ATOM 1113 O GLY A 70 -7.373 -11.811 -3.496 1.00 0.00 O ATOM 0 H GLY A 70 -8.228 -8.829 -2.196 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -6.106 -9.623 -3.687 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -5.453 -9.859 -2.077 1.00 0.00 H new ATOM 1117 N ASN A 71 -7.576 -11.455 -1.337 1.00 0.00 N ATOM 1118 CA ASN A 71 -8.336 -12.722 -1.152 1.00 0.00 C ATOM 1119 C ASN A 71 -9.724 -12.407 -0.593 1.00 0.00 C ATOM 1120 O ASN A 71 -10.711 -12.998 -0.984 1.00 0.00 O ATOM 1121 CB ASN A 71 -7.586 -13.629 -0.174 1.00 0.00 C ATOM 1122 CG ASN A 71 -6.924 -14.773 -0.943 1.00 0.00 C ATOM 1123 OD1 ASN A 71 -6.974 -15.912 -0.522 1.00 0.00 O ATOM 1124 ND2 ASN A 71 -6.301 -14.517 -2.061 1.00 0.00 N ATOM 0 H ASN A 71 -7.425 -10.912 -0.487 1.00 0.00 H new ATOM 0 HA ASN A 71 -8.437 -13.228 -2.112 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -6.832 -13.055 0.365 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -8.275 -14.028 0.570 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -5.856 -15.273 -2.582 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -6.259 -13.561 -2.414 1.00 0.00 H new ATOM 1131 N SER A 72 -9.810 -11.477 0.320 1.00 0.00 N ATOM 1132 CA SER A 72 -11.137 -11.126 0.901 1.00 0.00 C ATOM 1133 C SER A 72 -11.594 -9.774 0.349 1.00 0.00 C ATOM 1134 O SER A 72 -10.819 -9.028 -0.219 1.00 0.00 O ATOM 1135 CB SER A 72 -11.019 -11.042 2.423 1.00 0.00 C ATOM 1136 OG SER A 72 -12.164 -11.639 3.018 1.00 0.00 O ATOM 0 H SER A 72 -9.020 -10.946 0.688 1.00 0.00 H new ATOM 0 HA SER A 72 -11.865 -11.892 0.634 1.00 0.00 H new ATOM 0 HB2 SER A 72 -10.115 -11.550 2.757 1.00 0.00 H new ATOM 0 HB3 SER A 72 -10.934 -10.001 2.736 1.00 0.00 H new ATOM 0 HG SER A 72 -12.090 -11.588 3.994 1.00 0.00 H new ATOM 1142 N GLU A 73 -12.849 -9.454 0.507 1.00 0.00 N ATOM 1143 CA GLU A 73 -13.357 -8.154 -0.013 1.00 0.00 C ATOM 1144 C GLU A 73 -13.680 -7.222 1.156 1.00 0.00 C ATOM 1145 O GLU A 73 -14.515 -7.519 1.987 1.00 0.00 O ATOM 1146 CB GLU A 73 -14.624 -8.393 -0.835 1.00 0.00 C ATOM 1147 CG GLU A 73 -14.254 -8.532 -2.313 1.00 0.00 C ATOM 1148 CD GLU A 73 -15.530 -8.595 -3.154 1.00 0.00 C ATOM 1149 OE1 GLU A 73 -16.363 -9.440 -2.869 1.00 0.00 O ATOM 1150 OE2 GLU A 73 -15.653 -7.799 -4.070 1.00 0.00 O ATOM 0 H GLU A 73 -13.544 -10.037 0.974 1.00 0.00 H new ATOM 0 HA GLU A 73 -12.594 -7.696 -0.642 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -15.130 -9.294 -0.489 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -15.320 -7.565 -0.700 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -13.640 -7.687 -2.626 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -13.659 -9.432 -2.467 1.00 0.00 H new ATOM 1157 N PHE A 74 -13.029 -6.094 1.226 1.00 0.00 N ATOM 1158 CA PHE A 74 -13.306 -5.143 2.338 1.00 0.00 C ATOM 1159 C PHE A 74 -14.070 -3.931 1.787 1.00 0.00 C ATOM 1160 O PHE A 74 -14.750 -4.024 0.784 1.00 0.00 O ATOM 1161 CB PHE A 74 -11.980 -4.701 2.964 1.00 0.00 C ATOM 1162 CG PHE A 74 -11.519 -5.732 3.963 1.00 0.00 C ATOM 1163 CD1 PHE A 74 -11.126 -7.001 3.530 1.00 0.00 C ATOM 1164 CD2 PHE A 74 -11.484 -5.412 5.326 1.00 0.00 C ATOM 1165 CE1 PHE A 74 -10.697 -7.956 4.461 1.00 0.00 C ATOM 1166 CE2 PHE A 74 -11.056 -6.367 6.257 1.00 0.00 C ATOM 1167 CZ PHE A 74 -10.662 -7.638 5.824 1.00 0.00 C ATOM 0 H PHE A 74 -12.317 -5.790 0.561 1.00 0.00 H new ATOM 0 HA PHE A 74 -13.914 -5.626 3.103 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -11.226 -4.571 2.188 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -12.103 -3.735 3.454 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -11.153 -7.246 2.478 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -11.787 -4.430 5.659 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -10.393 -8.937 4.127 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -11.030 -6.122 7.309 1.00 0.00 H new ATOM 0 HZ PHE A 74 -10.331 -8.374 6.542 1.00 0.00 H new ATOM 1177 N ASP A 75 -13.979 -2.799 2.433 1.00 0.00 N ATOM 1178 CA ASP A 75 -14.713 -1.598 1.942 1.00 0.00 C ATOM 1179 C ASP A 75 -13.879 -0.864 0.888 1.00 0.00 C ATOM 1180 O ASP A 75 -14.363 -0.522 -0.172 1.00 0.00 O ATOM 1181 CB ASP A 75 -14.988 -0.657 3.116 1.00 0.00 C ATOM 1182 CG ASP A 75 -15.722 -1.419 4.221 1.00 0.00 C ATOM 1183 OD1 ASP A 75 -15.727 -2.639 4.170 1.00 0.00 O ATOM 1184 OD2 ASP A 75 -16.268 -0.771 5.099 1.00 0.00 O ATOM 0 H ASP A 75 -13.428 -2.655 3.279 1.00 0.00 H new ATOM 0 HA ASP A 75 -15.654 -1.915 1.493 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -14.051 -0.253 3.499 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -15.588 0.190 2.784 1.00 0.00 H new ATOM 1189 N SER A 76 -12.631 -0.611 1.175 1.00 0.00 N ATOM 1190 CA SER A 76 -11.771 0.109 0.193 1.00 0.00 C ATOM 1191 C SER A 76 -10.354 0.213 0.757 1.00 0.00 C ATOM 1192 O SER A 76 -10.159 0.225 1.952 1.00 0.00 O ATOM 1193 CB SER A 76 -12.334 1.510 -0.046 1.00 0.00 C ATOM 1194 OG SER A 76 -11.917 2.370 1.006 1.00 0.00 O ATOM 0 H SER A 76 -12.170 -0.872 2.047 1.00 0.00 H new ATOM 0 HA SER A 76 -11.751 -0.435 -0.752 1.00 0.00 H new ATOM 0 HB2 SER A 76 -11.987 1.895 -1.005 1.00 0.00 H new ATOM 0 HB3 SER A 76 -13.422 1.474 -0.092 1.00 0.00 H new ATOM 0 HG SER A 76 -12.275 3.270 0.855 1.00 0.00 H new ATOM 1200 N LEU A 77 -9.366 0.284 -0.094 1.00 0.00 N ATOM 1201 CA LEU A 77 -7.953 0.377 0.388 1.00 0.00 C ATOM 1202 C LEU A 77 -7.832 1.394 1.531 1.00 0.00 C ATOM 1203 O LEU A 77 -6.895 1.354 2.304 1.00 0.00 O ATOM 1204 CB LEU A 77 -7.050 0.806 -0.769 1.00 0.00 C ATOM 1205 CG LEU A 77 -7.583 2.100 -1.384 1.00 0.00 C ATOM 1206 CD1 LEU A 77 -6.913 3.299 -0.710 1.00 0.00 C ATOM 1207 CD2 LEU A 77 -7.268 2.117 -2.879 1.00 0.00 C ATOM 0 H LEU A 77 -9.475 0.282 -1.108 1.00 0.00 H new ATOM 0 HA LEU A 77 -7.647 -0.601 0.759 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -6.031 0.954 -0.412 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -7.012 0.021 -1.524 1.00 0.00 H new ATOM 0 HG LEU A 77 -8.662 2.156 -1.237 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -7.293 4.222 -1.148 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -7.134 3.287 0.357 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -5.835 3.244 -0.858 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -7.647 3.039 -3.320 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -6.189 2.062 -3.024 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -7.743 1.262 -3.361 1.00 0.00 H new ATOM 1219 N VAL A 78 -8.756 2.309 1.645 1.00 0.00 N ATOM 1220 CA VAL A 78 -8.669 3.320 2.739 1.00 0.00 C ATOM 1221 C VAL A 78 -8.948 2.660 4.096 1.00 0.00 C ATOM 1222 O VAL A 78 -8.197 2.827 5.036 1.00 0.00 O ATOM 1223 CB VAL A 78 -9.693 4.428 2.493 1.00 0.00 C ATOM 1224 CG1 VAL A 78 -9.604 5.465 3.614 1.00 0.00 C ATOM 1225 CG2 VAL A 78 -9.400 5.103 1.151 1.00 0.00 C ATOM 0 H VAL A 78 -9.565 2.401 1.031 1.00 0.00 H new ATOM 0 HA VAL A 78 -7.664 3.743 2.750 1.00 0.00 H new ATOM 0 HB VAL A 78 -10.695 3.999 2.475 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -10.334 6.255 3.438 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -9.812 4.985 4.571 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -8.603 5.895 3.633 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -10.130 5.893 0.974 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -8.398 5.532 1.170 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -9.463 4.365 0.351 1.00 0.00 H new ATOM 1235 N ASP A 79 -10.016 1.914 4.211 1.00 0.00 N ATOM 1236 CA ASP A 79 -10.319 1.257 5.514 1.00 0.00 C ATOM 1237 C ASP A 79 -9.433 0.022 5.667 1.00 0.00 C ATOM 1238 O ASP A 79 -9.302 -0.536 6.739 1.00 0.00 O ATOM 1239 CB ASP A 79 -11.790 0.833 5.549 1.00 0.00 C ATOM 1240 CG ASP A 79 -12.667 1.981 5.048 1.00 0.00 C ATOM 1241 OD1 ASP A 79 -12.454 3.099 5.487 1.00 0.00 O ATOM 1242 OD2 ASP A 79 -13.538 1.722 4.234 1.00 0.00 O ATOM 0 H ASP A 79 -10.686 1.733 3.464 1.00 0.00 H new ATOM 0 HA ASP A 79 -10.127 1.956 6.328 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -11.939 -0.050 4.928 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -12.076 0.560 6.565 1.00 0.00 H new ATOM 1247 N LEU A 80 -8.820 -0.400 4.597 1.00 0.00 N ATOM 1248 CA LEU A 80 -7.937 -1.592 4.656 1.00 0.00 C ATOM 1249 C LEU A 80 -6.597 -1.153 5.230 1.00 0.00 C ATOM 1250 O LEU A 80 -5.940 -1.881 5.946 1.00 0.00 O ATOM 1251 CB LEU A 80 -7.747 -2.151 3.241 1.00 0.00 C ATOM 1252 CG LEU A 80 -8.895 -3.107 2.896 1.00 0.00 C ATOM 1253 CD1 LEU A 80 -8.727 -4.410 3.678 1.00 0.00 C ATOM 1254 CD2 LEU A 80 -10.238 -2.470 3.258 1.00 0.00 C ATOM 0 H LEU A 80 -8.895 0.035 3.678 1.00 0.00 H new ATOM 0 HA LEU A 80 -8.375 -2.369 5.282 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -7.714 -1.334 2.520 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.794 -2.675 3.173 1.00 0.00 H new ATOM 0 HG LEU A 80 -8.874 -3.313 1.826 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -9.543 -5.089 3.433 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -7.777 -4.874 3.413 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -8.741 -4.197 4.747 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -11.046 -3.158 3.009 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -10.262 -2.254 4.326 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -10.364 -1.544 2.698 1.00 0.00 H new ATOM 1266 N ILE A 81 -6.203 0.053 4.936 1.00 0.00 N ATOM 1267 CA ILE A 81 -4.923 0.573 5.477 1.00 0.00 C ATOM 1268 C ILE A 81 -5.166 0.995 6.931 1.00 0.00 C ATOM 1269 O ILE A 81 -4.296 0.897 7.774 1.00 0.00 O ATOM 1270 CB ILE A 81 -4.464 1.769 4.621 1.00 0.00 C ATOM 1271 CG1 ILE A 81 -3.497 1.270 3.544 1.00 0.00 C ATOM 1272 CG2 ILE A 81 -3.752 2.818 5.482 1.00 0.00 C ATOM 1273 CD1 ILE A 81 -4.227 1.175 2.204 1.00 0.00 C ATOM 0 H ILE A 81 -6.717 0.703 4.341 1.00 0.00 H new ATOM 0 HA ILE A 81 -4.141 -0.185 5.447 1.00 0.00 H new ATOM 0 HB ILE A 81 -5.342 2.228 4.166 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -2.648 1.949 3.460 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -3.098 0.294 3.823 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -3.438 3.652 4.854 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -4.433 3.180 6.252 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -2.878 2.369 5.953 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -3.537 0.820 1.438 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -5.061 0.479 2.293 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -4.604 2.159 1.924 1.00 0.00 H new ATOM 1285 N SER A 82 -6.354 1.455 7.228 1.00 0.00 N ATOM 1286 CA SER A 82 -6.666 1.870 8.623 1.00 0.00 C ATOM 1287 C SER A 82 -6.492 0.667 9.549 1.00 0.00 C ATOM 1288 O SER A 82 -5.729 0.704 10.493 1.00 0.00 O ATOM 1289 CB SER A 82 -8.108 2.371 8.699 1.00 0.00 C ATOM 1290 OG SER A 82 -8.321 2.996 9.958 1.00 0.00 O ATOM 0 H SER A 82 -7.120 1.560 6.563 1.00 0.00 H new ATOM 0 HA SER A 82 -5.993 2.671 8.928 1.00 0.00 H new ATOM 0 HB2 SER A 82 -8.303 3.077 7.892 1.00 0.00 H new ATOM 0 HB3 SER A 82 -8.801 1.540 8.570 1.00 0.00 H new ATOM 0 HG SER A 82 -9.244 3.320 10.010 1.00 0.00 H new ATOM 1296 N TYR A 83 -7.186 -0.407 9.281 1.00 0.00 N ATOM 1297 CA TYR A 83 -7.045 -1.610 10.146 1.00 0.00 C ATOM 1298 C TYR A 83 -5.671 -2.247 9.898 1.00 0.00 C ATOM 1299 O TYR A 83 -5.283 -3.189 10.560 1.00 0.00 O ATOM 1300 CB TYR A 83 -8.177 -2.609 9.832 1.00 0.00 C ATOM 1301 CG TYR A 83 -7.743 -3.603 8.775 1.00 0.00 C ATOM 1302 CD1 TYR A 83 -7.699 -3.224 7.429 1.00 0.00 C ATOM 1303 CD2 TYR A 83 -7.385 -4.906 9.146 1.00 0.00 C ATOM 1304 CE1 TYR A 83 -7.299 -4.144 6.454 1.00 0.00 C ATOM 1305 CE2 TYR A 83 -6.985 -5.827 8.171 1.00 0.00 C ATOM 1306 CZ TYR A 83 -6.941 -5.446 6.824 1.00 0.00 C ATOM 1307 OH TYR A 83 -6.547 -6.353 5.864 1.00 0.00 O ATOM 0 H TYR A 83 -7.841 -0.502 8.504 1.00 0.00 H new ATOM 0 HA TYR A 83 -7.119 -1.327 11.196 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -8.462 -3.139 10.741 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -9.059 -2.069 9.489 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -7.974 -2.220 7.142 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -7.418 -5.200 10.185 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -7.266 -3.850 5.415 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -6.710 -6.831 8.457 1.00 0.00 H new ATOM 0 HH TYR A 83 -6.332 -7.209 6.291 1.00 0.00 H new ATOM 1317 N TYR A 84 -4.934 -1.736 8.947 1.00 0.00 N ATOM 1318 CA TYR A 84 -3.590 -2.305 8.655 1.00 0.00 C ATOM 1319 C TYR A 84 -2.548 -1.605 9.527 1.00 0.00 C ATOM 1320 O TYR A 84 -1.470 -2.117 9.757 1.00 0.00 O ATOM 1321 CB TYR A 84 -3.254 -2.082 7.180 1.00 0.00 C ATOM 1322 CG TYR A 84 -1.859 -2.582 6.898 1.00 0.00 C ATOM 1323 CD1 TYR A 84 -1.357 -3.685 7.598 1.00 0.00 C ATOM 1324 CD2 TYR A 84 -1.068 -1.944 5.936 1.00 0.00 C ATOM 1325 CE1 TYR A 84 -0.064 -4.152 7.334 1.00 0.00 C ATOM 1326 CE2 TYR A 84 0.226 -2.410 5.673 1.00 0.00 C ATOM 1327 CZ TYR A 84 0.727 -3.513 6.372 1.00 0.00 C ATOM 1328 OH TYR A 84 2.003 -3.973 6.111 1.00 0.00 O ATOM 0 H TYR A 84 -5.207 -0.948 8.360 1.00 0.00 H new ATOM 0 HA TYR A 84 -3.588 -3.374 8.869 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -3.973 -2.605 6.550 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -3.328 -1.022 6.936 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -1.967 -4.176 8.342 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -1.455 -1.092 5.397 1.00 0.00 H new ATOM 0 HE1 TYR A 84 0.323 -5.005 7.872 1.00 0.00 H new ATOM 0 HE2 TYR A 84 0.837 -1.918 4.931 1.00 0.00 H new ATOM 0 HH TYR A 84 2.415 -3.418 5.416 1.00 0.00 H new ATOM 1338 N GLU A 85 -2.863 -0.438 10.018 1.00 0.00 N ATOM 1339 CA GLU A 85 -1.893 0.293 10.878 1.00 0.00 C ATOM 1340 C GLU A 85 -1.663 -0.504 12.164 1.00 0.00 C ATOM 1341 O GLU A 85 -0.547 -0.671 12.613 1.00 0.00 O ATOM 1342 CB GLU A 85 -2.456 1.673 11.224 1.00 0.00 C ATOM 1343 CG GLU A 85 -1.428 2.748 10.866 1.00 0.00 C ATOM 1344 CD GLU A 85 -1.278 3.722 12.035 1.00 0.00 C ATOM 1345 OE1 GLU A 85 -2.061 3.624 12.966 1.00 0.00 O ATOM 1346 OE2 GLU A 85 -0.384 4.549 11.981 1.00 0.00 O ATOM 0 H GLU A 85 -3.750 0.040 9.860 1.00 0.00 H new ATOM 0 HA GLU A 85 -0.949 0.413 10.347 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -3.384 1.846 10.679 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -2.696 1.724 12.286 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -0.467 2.286 10.639 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -1.744 3.284 9.971 1.00 0.00 H new ATOM 1353 N LYS A 86 -2.713 -1.006 12.755 1.00 0.00 N ATOM 1354 CA LYS A 86 -2.555 -1.800 14.004 1.00 0.00 C ATOM 1355 C LYS A 86 -2.535 -3.289 13.653 1.00 0.00 C ATOM 1356 O LYS A 86 -1.752 -4.052 14.183 1.00 0.00 O ATOM 1357 CB LYS A 86 -3.726 -1.511 14.946 1.00 0.00 C ATOM 1358 CG LYS A 86 -3.207 -1.383 16.379 1.00 0.00 C ATOM 1359 CD LYS A 86 -4.136 -0.470 17.182 1.00 0.00 C ATOM 1360 CE LYS A 86 -3.318 0.302 18.220 1.00 0.00 C ATOM 1361 NZ LYS A 86 -2.470 -0.649 18.992 1.00 0.00 N ATOM 0 H LYS A 86 -3.673 -0.900 12.426 1.00 0.00 H new ATOM 0 HA LYS A 86 -1.622 -1.527 14.497 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.229 -0.592 14.647 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -4.462 -2.312 14.885 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -3.154 -2.366 16.846 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -2.196 -0.977 16.375 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -4.646 0.225 16.515 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -4.907 -1.061 17.677 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -2.692 1.045 17.726 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -3.983 0.842 18.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -2.225 -0.228 19.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -2.993 -1.535 19.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -1.599 -0.849 18.459 1.00 0.00 H new ATOM 1375 N HIS A 87 -3.389 -3.705 12.759 1.00 0.00 N ATOM 1376 CA HIS A 87 -3.420 -5.142 12.367 1.00 0.00 C ATOM 1377 C HIS A 87 -2.431 -5.374 11.220 1.00 0.00 C ATOM 1378 O HIS A 87 -2.071 -4.454 10.515 1.00 0.00 O ATOM 1379 CB HIS A 87 -4.833 -5.515 11.911 1.00 0.00 C ATOM 1380 CG HIS A 87 -5.282 -6.755 12.634 1.00 0.00 C ATOM 1381 ND1 HIS A 87 -4.882 -7.041 13.930 1.00 0.00 N ATOM 1382 CD2 HIS A 87 -6.094 -7.794 12.254 1.00 0.00 C ATOM 1383 CE1 HIS A 87 -5.451 -8.209 14.280 1.00 0.00 C ATOM 1384 NE2 HIS A 87 -6.201 -8.711 13.295 1.00 0.00 N ATOM 0 H HIS A 87 -4.068 -3.111 12.282 1.00 0.00 H new ATOM 0 HA HIS A 87 -3.141 -5.762 13.219 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -5.521 -4.694 12.114 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -4.847 -5.684 10.834 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -6.577 -7.886 11.292 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -5.318 -8.683 15.241 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -6.736 -9.579 13.304 1.00 0.00 H new ATOM 1392 N PRO A 88 -2.023 -6.606 11.076 1.00 0.00 N ATOM 1393 CA PRO A 88 -1.063 -7.067 10.038 1.00 0.00 C ATOM 1394 C PRO A 88 -1.776 -7.250 8.696 1.00 0.00 C ATOM 1395 O PRO A 88 -2.947 -7.568 8.639 1.00 0.00 O ATOM 1396 CB PRO A 88 -0.529 -8.406 10.543 1.00 0.00 C ATOM 1397 CG PRO A 88 -1.581 -8.946 11.516 1.00 0.00 C ATOM 1398 CD PRO A 88 -2.449 -7.749 11.930 1.00 0.00 C ATOM 0 HA PRO A 88 -0.262 -6.345 9.878 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -0.371 -9.099 9.716 1.00 0.00 H new ATOM 0 HB3 PRO A 88 0.433 -8.279 11.040 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -2.187 -9.719 11.043 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -1.107 -9.401 12.386 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -3.507 -7.968 11.786 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -2.312 -7.517 12.986 1.00 0.00 H new ATOM 1406 N LEU A 89 -1.073 -7.053 7.615 1.00 0.00 N ATOM 1407 CA LEU A 89 -1.697 -7.216 6.272 1.00 0.00 C ATOM 1408 C LEU A 89 -1.045 -8.405 5.565 1.00 0.00 C ATOM 1409 O LEU A 89 -1.643 -9.451 5.405 1.00 0.00 O ATOM 1410 CB LEU A 89 -1.475 -5.944 5.451 1.00 0.00 C ATOM 1411 CG LEU A 89 -1.968 -6.165 4.023 1.00 0.00 C ATOM 1412 CD1 LEU A 89 -3.194 -5.287 3.767 1.00 0.00 C ATOM 1413 CD2 LEU A 89 -0.859 -5.791 3.036 1.00 0.00 C ATOM 0 H LEU A 89 -0.089 -6.785 7.604 1.00 0.00 H new ATOM 0 HA LEU A 89 -2.767 -7.392 6.377 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -2.007 -5.108 5.905 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -0.417 -5.683 5.445 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.235 -7.213 3.889 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -3.547 -5.444 2.748 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.984 -5.552 4.470 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -2.925 -4.239 3.901 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -1.211 -5.949 2.016 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -0.591 -4.743 3.169 1.00 0.00 H new ATOM 0 HD23 LEU A 89 0.016 -6.415 3.218 1.00 0.00 H new ATOM 1425 N TYR A 90 0.186 -8.257 5.157 1.00 0.00 N ATOM 1426 CA TYR A 90 0.889 -9.383 4.480 1.00 0.00 C ATOM 1427 C TYR A 90 1.668 -10.161 5.557 1.00 0.00 C ATOM 1428 O TYR A 90 1.722 -9.746 6.697 1.00 0.00 O ATOM 1429 CB TYR A 90 1.850 -8.807 3.423 1.00 0.00 C ATOM 1430 CG TYR A 90 2.191 -9.830 2.350 1.00 0.00 C ATOM 1431 CD1 TYR A 90 1.517 -11.058 2.270 1.00 0.00 C ATOM 1432 CD2 TYR A 90 3.195 -9.529 1.419 1.00 0.00 C ATOM 1433 CE1 TYR A 90 1.849 -11.977 1.267 1.00 0.00 C ATOM 1434 CE2 TYR A 90 3.523 -10.447 0.416 1.00 0.00 C ATOM 1435 CZ TYR A 90 2.851 -11.671 0.340 1.00 0.00 C ATOM 1436 OH TYR A 90 3.175 -12.577 -0.649 1.00 0.00 O ATOM 0 H TYR A 90 0.735 -7.404 5.263 1.00 0.00 H new ATOM 0 HA TYR A 90 0.186 -10.050 3.981 1.00 0.00 H new ATOM 0 HB2 TYR A 90 1.397 -7.931 2.959 1.00 0.00 H new ATOM 0 HB3 TYR A 90 2.766 -8.472 3.909 1.00 0.00 H new ATOM 0 HD1 TYR A 90 0.741 -11.295 2.983 1.00 0.00 H new ATOM 0 HD2 TYR A 90 3.717 -8.585 1.476 1.00 0.00 H new ATOM 0 HE1 TYR A 90 1.331 -12.923 1.209 1.00 0.00 H new ATOM 0 HE2 TYR A 90 4.296 -10.210 -0.300 1.00 0.00 H new ATOM 0 HH TYR A 90 3.890 -12.208 -1.209 1.00 0.00 H new ATOM 1446 N ARG A 91 2.265 -11.276 5.226 1.00 0.00 N ATOM 1447 CA ARG A 91 3.020 -12.050 6.254 1.00 0.00 C ATOM 1448 C ARG A 91 4.462 -11.539 6.326 1.00 0.00 C ATOM 1449 O ARG A 91 5.398 -12.248 6.013 1.00 0.00 O ATOM 1450 CB ARG A 91 3.027 -13.532 5.871 1.00 0.00 C ATOM 1451 CG ARG A 91 3.641 -13.697 4.481 1.00 0.00 C ATOM 1452 CD ARG A 91 2.539 -14.031 3.476 1.00 0.00 C ATOM 1453 NE ARG A 91 3.156 -14.437 2.181 1.00 0.00 N ATOM 1454 CZ ARG A 91 2.436 -15.032 1.268 1.00 0.00 C ATOM 1455 NH1 ARG A 91 1.164 -15.240 1.468 1.00 0.00 N ATOM 1456 NH2 ARG A 91 2.991 -15.417 0.151 1.00 0.00 N ATOM 0 H ARG A 91 2.262 -11.683 4.291 1.00 0.00 H new ATOM 0 HA ARG A 91 2.541 -11.924 7.225 1.00 0.00 H new ATOM 0 HB2 ARG A 91 3.597 -14.105 6.602 1.00 0.00 H new ATOM 0 HB3 ARG A 91 2.011 -13.926 5.880 1.00 0.00 H new ATOM 0 HG2 ARG A 91 4.152 -12.781 4.186 1.00 0.00 H new ATOM 0 HG3 ARG A 91 4.389 -14.489 4.494 1.00 0.00 H new ATOM 0 HD2 ARG A 91 1.912 -14.836 3.861 1.00 0.00 H new ATOM 0 HD3 ARG A 91 1.892 -13.166 3.328 1.00 0.00 H new ATOM 0 HE ARG A 91 4.143 -14.250 2.007 1.00 0.00 H new ATOM 0 HH11 ARG A 91 0.729 -14.938 2.339 1.00 0.00 H new ATOM 0 HH12 ARG A 91 0.605 -15.705 0.753 1.00 0.00 H new ATOM 0 HH21 ARG A 91 3.985 -15.253 -0.008 1.00 0.00 H new ATOM 0 HH22 ARG A 91 2.431 -15.882 -0.563 1.00 0.00 H new ATOM 1470 N LYS A 92 4.652 -10.314 6.737 1.00 0.00 N ATOM 1471 CA LYS A 92 6.033 -9.761 6.829 1.00 0.00 C ATOM 1472 C LYS A 92 5.996 -8.425 7.573 1.00 0.00 C ATOM 1473 O LYS A 92 6.175 -8.370 8.774 1.00 0.00 O ATOM 1474 CB LYS A 92 6.612 -9.558 5.422 1.00 0.00 C ATOM 1475 CG LYS A 92 5.481 -9.395 4.399 1.00 0.00 C ATOM 1476 CD LYS A 92 6.080 -9.198 3.004 1.00 0.00 C ATOM 1477 CE LYS A 92 6.203 -10.553 2.306 1.00 0.00 C ATOM 1478 NZ LYS A 92 7.621 -11.008 2.348 1.00 0.00 N ATOM 0 H LYS A 92 3.909 -9.672 7.013 1.00 0.00 H new ATOM 0 HA LYS A 92 6.667 -10.462 7.372 1.00 0.00 H new ATOM 0 HB2 LYS A 92 7.253 -8.677 5.409 1.00 0.00 H new ATOM 0 HB3 LYS A 92 7.236 -10.410 5.152 1.00 0.00 H new ATOM 0 HG2 LYS A 92 4.837 -10.275 4.409 1.00 0.00 H new ATOM 0 HG3 LYS A 92 4.858 -8.541 4.663 1.00 0.00 H new ATOM 0 HD2 LYS A 92 5.449 -8.530 2.417 1.00 0.00 H new ATOM 0 HD3 LYS A 92 7.060 -8.726 3.080 1.00 0.00 H new ATOM 0 HE2 LYS A 92 5.561 -11.285 2.795 1.00 0.00 H new ATOM 0 HE3 LYS A 92 5.866 -10.473 1.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 7.651 -12.045 2.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 8.109 -10.703 1.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 8.094 -10.594 3.176 1.00 0.00 H new ATOM 1492 N MET A 93 5.763 -7.346 6.878 1.00 0.00 N ATOM 1493 CA MET A 93 5.714 -6.022 7.557 1.00 0.00 C ATOM 1494 C MET A 93 4.315 -5.798 8.134 1.00 0.00 C ATOM 1495 O MET A 93 3.447 -6.642 8.021 1.00 0.00 O ATOM 1496 CB MET A 93 6.035 -4.917 6.550 1.00 0.00 C ATOM 1497 CG MET A 93 7.380 -4.280 6.905 1.00 0.00 C ATOM 1498 SD MET A 93 8.657 -5.561 6.965 1.00 0.00 S ATOM 1499 CE MET A 93 9.018 -5.437 8.733 1.00 0.00 C ATOM 0 H MET A 93 5.605 -7.324 5.871 1.00 0.00 H new ATOM 0 HA MET A 93 6.448 -6.000 8.363 1.00 0.00 H new ATOM 0 HB2 MET A 93 6.070 -5.328 5.541 1.00 0.00 H new ATOM 0 HB3 MET A 93 5.249 -4.162 6.559 1.00 0.00 H new ATOM 0 HG2 MET A 93 7.643 -3.524 6.165 1.00 0.00 H new ATOM 0 HG3 MET A 93 7.312 -3.774 7.868 1.00 0.00 H new ATOM 0 HE1 MET A 93 9.845 -4.744 8.888 1.00 0.00 H new ATOM 0 HE2 MET A 93 8.136 -5.072 9.260 1.00 0.00 H new ATOM 0 HE3 MET A 93 9.290 -6.419 9.119 1.00 0.00 H new ATOM 1509 N LYS A 94 4.086 -4.671 8.752 1.00 0.00 N ATOM 1510 CA LYS A 94 2.740 -4.405 9.333 1.00 0.00 C ATOM 1511 C LYS A 94 2.535 -2.898 9.444 1.00 0.00 C ATOM 1512 O LYS A 94 2.269 -2.376 10.509 1.00 0.00 O ATOM 1513 CB LYS A 94 2.650 -5.037 10.724 1.00 0.00 C ATOM 1514 CG LYS A 94 2.074 -6.451 10.610 1.00 0.00 C ATOM 1515 CD LYS A 94 3.076 -7.458 11.178 1.00 0.00 C ATOM 1516 CE LYS A 94 2.829 -7.638 12.677 1.00 0.00 C ATOM 1517 NZ LYS A 94 4.070 -8.145 13.329 1.00 0.00 N ATOM 0 H LYS A 94 4.771 -3.926 8.879 1.00 0.00 H new ATOM 0 HA LYS A 94 1.970 -4.835 8.692 1.00 0.00 H new ATOM 0 HB2 LYS A 94 3.638 -5.072 11.183 1.00 0.00 H new ATOM 0 HB3 LYS A 94 2.019 -4.428 11.371 1.00 0.00 H new ATOM 0 HG2 LYS A 94 1.131 -6.516 11.152 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.859 -6.685 9.567 1.00 0.00 H new ATOM 0 HD2 LYS A 94 2.976 -8.415 10.665 1.00 0.00 H new ATOM 0 HD3 LYS A 94 4.094 -7.109 11.006 1.00 0.00 H new ATOM 0 HE2 LYS A 94 2.533 -6.689 13.124 1.00 0.00 H new ATOM 0 HE3 LYS A 94 2.009 -8.337 12.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 3.902 -8.267 14.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 4.334 -9.059 12.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 4.841 -7.463 13.185 1.00 0.00 H new ATOM 1531 N LEU A 95 2.671 -2.188 8.357 1.00 0.00 N ATOM 1532 CA LEU A 95 2.501 -0.713 8.415 1.00 0.00 C ATOM 1533 C LEU A 95 3.386 -0.171 9.534 1.00 0.00 C ATOM 1534 O LEU A 95 3.070 0.809 10.177 1.00 0.00 O ATOM 1535 CB LEU A 95 1.038 -0.370 8.704 1.00 0.00 C ATOM 1536 CG LEU A 95 0.535 0.638 7.670 1.00 0.00 C ATOM 1537 CD1 LEU A 95 -0.971 0.839 7.843 1.00 0.00 C ATOM 1538 CD2 LEU A 95 1.255 1.974 7.872 1.00 0.00 C ATOM 0 H LEU A 95 2.892 -2.566 7.436 1.00 0.00 H new ATOM 0 HA LEU A 95 2.784 -0.267 7.462 1.00 0.00 H new ATOM 0 HB2 LEU A 95 0.429 -1.273 8.673 1.00 0.00 H new ATOM 0 HB3 LEU A 95 0.942 0.044 9.708 1.00 0.00 H new ATOM 0 HG LEU A 95 0.737 0.263 6.667 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -1.329 1.558 7.106 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -1.484 -0.112 7.701 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -1.175 1.215 8.845 1.00 0.00 H new ATOM 0 HD21 LEU A 95 0.898 2.695 7.136 1.00 0.00 H new ATOM 0 HD22 LEU A 95 1.052 2.349 8.875 1.00 0.00 H new ATOM 0 HD23 LEU A 95 2.329 1.831 7.749 1.00 0.00 H new ATOM 1550 N ARG A 96 4.493 -0.819 9.773 1.00 0.00 N ATOM 1551 CA ARG A 96 5.411 -0.365 10.853 1.00 0.00 C ATOM 1552 C ARG A 96 6.074 0.950 10.447 1.00 0.00 C ATOM 1553 O ARG A 96 6.796 1.554 11.214 1.00 0.00 O ATOM 1554 CB ARG A 96 6.487 -1.426 11.091 1.00 0.00 C ATOM 1555 CG ARG A 96 6.674 -1.635 12.595 1.00 0.00 C ATOM 1556 CD ARG A 96 5.799 -2.801 13.060 1.00 0.00 C ATOM 1557 NE ARG A 96 6.334 -3.340 14.342 1.00 0.00 N ATOM 1558 CZ ARG A 96 5.605 -4.141 15.071 1.00 0.00 C ATOM 1559 NH1 ARG A 96 4.381 -4.423 14.714 1.00 0.00 N ATOM 1560 NH2 ARG A 96 6.101 -4.663 16.160 1.00 0.00 N ATOM 0 H ARG A 96 4.802 -1.647 9.264 1.00 0.00 H new ATOM 0 HA ARG A 96 4.840 -0.214 11.769 1.00 0.00 H new ATOM 0 HB2 ARG A 96 6.199 -2.364 10.616 1.00 0.00 H new ATOM 0 HB3 ARG A 96 7.427 -1.114 10.637 1.00 0.00 H new ATOM 0 HG2 ARG A 96 7.721 -1.841 12.817 1.00 0.00 H new ATOM 0 HG3 ARG A 96 6.406 -0.727 13.135 1.00 0.00 H new ATOM 0 HD2 ARG A 96 4.770 -2.467 13.194 1.00 0.00 H new ATOM 0 HD3 ARG A 96 5.784 -3.584 12.302 1.00 0.00 H new ATOM 0 HE ARG A 96 7.272 -3.083 14.651 1.00 0.00 H new ATOM 0 HH11 ARG A 96 3.992 -4.017 13.863 1.00 0.00 H new ATOM 0 HH12 ARG A 96 3.814 -5.049 15.286 1.00 0.00 H new ATOM 0 HH21 ARG A 96 7.057 -4.445 16.440 1.00 0.00 H new ATOM 0 HH22 ARG A 96 5.532 -5.289 16.730 1.00 0.00 H new ATOM 1574 N TYR A 97 5.836 1.406 9.246 1.00 0.00 N ATOM 1575 CA TYR A 97 6.461 2.690 8.810 1.00 0.00 C ATOM 1576 C TYR A 97 5.403 3.639 8.233 1.00 0.00 C ATOM 1577 O TYR A 97 5.471 4.009 7.075 1.00 0.00 O ATOM 1578 CB TYR A 97 7.527 2.412 7.747 1.00 0.00 C ATOM 1579 CG TYR A 97 7.152 1.183 6.954 1.00 0.00 C ATOM 1580 CD1 TYR A 97 5.902 1.105 6.329 1.00 0.00 C ATOM 1581 CD2 TYR A 97 8.057 0.121 6.844 1.00 0.00 C ATOM 1582 CE1 TYR A 97 5.556 -0.034 5.593 1.00 0.00 C ATOM 1583 CE2 TYR A 97 7.712 -1.019 6.109 1.00 0.00 C ATOM 1584 CZ TYR A 97 6.462 -1.096 5.484 1.00 0.00 C ATOM 1585 OH TYR A 97 6.124 -2.220 4.759 1.00 0.00 O ATOM 0 H TYR A 97 5.242 0.951 8.553 1.00 0.00 H new ATOM 0 HA TYR A 97 6.921 3.162 9.679 1.00 0.00 H new ATOM 0 HB2 TYR A 97 7.622 3.270 7.082 1.00 0.00 H new ATOM 0 HB3 TYR A 97 8.498 2.267 8.222 1.00 0.00 H new ATOM 0 HD1 TYR A 97 5.204 1.925 6.415 1.00 0.00 H new ATOM 0 HD2 TYR A 97 9.021 0.181 7.326 1.00 0.00 H new ATOM 0 HE1 TYR A 97 4.592 -0.094 5.110 1.00 0.00 H new ATOM 0 HE2 TYR A 97 8.410 -1.839 6.024 1.00 0.00 H new ATOM 0 HH TYR A 97 6.845 -2.433 4.131 1.00 0.00 H new ATOM 1595 N PRO A 98 4.464 4.020 9.063 1.00 0.00 N ATOM 1596 CA PRO A 98 3.360 4.951 8.721 1.00 0.00 C ATOM 1597 C PRO A 98 3.830 6.395 8.901 1.00 0.00 C ATOM 1598 O PRO A 98 3.080 7.254 9.322 1.00 0.00 O ATOM 1599 CB PRO A 98 2.248 4.647 9.721 1.00 0.00 C ATOM 1600 CG PRO A 98 2.935 4.017 10.938 1.00 0.00 C ATOM 1601 CD PRO A 98 4.332 3.575 10.477 1.00 0.00 C ATOM 0 HA PRO A 98 3.028 4.830 7.690 1.00 0.00 H new ATOM 0 HB2 PRO A 98 1.716 5.556 10.001 1.00 0.00 H new ATOM 0 HB3 PRO A 98 1.513 3.966 9.292 1.00 0.00 H new ATOM 0 HG2 PRO A 98 3.006 4.734 11.756 1.00 0.00 H new ATOM 0 HG3 PRO A 98 2.363 3.166 11.308 1.00 0.00 H new ATOM 0 HD2 PRO A 98 5.107 4.022 11.100 1.00 0.00 H new ATOM 0 HD3 PRO A 98 4.444 2.494 10.557 1.00 0.00 H new ATOM 1609 N ILE A 99 5.069 6.669 8.602 1.00 0.00 N ATOM 1610 CA ILE A 99 5.584 8.056 8.775 1.00 0.00 C ATOM 1611 C ILE A 99 6.421 8.458 7.561 1.00 0.00 C ATOM 1612 O ILE A 99 6.575 7.705 6.618 1.00 0.00 O ATOM 1613 CB ILE A 99 6.453 8.118 10.034 1.00 0.00 C ATOM 1614 CG1 ILE A 99 5.867 7.190 11.101 1.00 0.00 C ATOM 1615 CG2 ILE A 99 6.482 9.552 10.566 1.00 0.00 C ATOM 1616 CD1 ILE A 99 6.785 7.172 12.324 1.00 0.00 C ATOM 0 H ILE A 99 5.746 5.994 8.246 1.00 0.00 H new ATOM 0 HA ILE A 99 4.743 8.742 8.871 1.00 0.00 H new ATOM 0 HB ILE A 99 7.467 7.801 9.792 1.00 0.00 H new ATOM 0 HG12 ILE A 99 4.871 7.530 11.386 1.00 0.00 H new ATOM 0 HG13 ILE A 99 5.758 6.182 10.701 1.00 0.00 H new ATOM 0 HG21 ILE A 99 7.101 9.595 11.462 1.00 0.00 H new ATOM 0 HG22 ILE A 99 6.897 10.214 9.806 1.00 0.00 H new ATOM 0 HG23 ILE A 99 5.468 9.870 10.809 1.00 0.00 H new ATOM 0 HD11 ILE A 99 6.367 6.511 13.083 1.00 0.00 H new ATOM 0 HD12 ILE A 99 7.772 6.812 12.033 1.00 0.00 H new ATOM 0 HD13 ILE A 99 6.872 8.180 12.729 1.00 0.00 H new ATOM 1628 N ASN A 100 6.965 9.645 7.578 1.00 0.00 N ATOM 1629 CA ASN A 100 7.794 10.107 6.430 1.00 0.00 C ATOM 1630 C ASN A 100 8.725 11.228 6.900 1.00 0.00 C ATOM 1631 O ASN A 100 9.182 12.038 6.118 1.00 0.00 O ATOM 1632 CB ASN A 100 6.878 10.633 5.322 1.00 0.00 C ATOM 1633 CG ASN A 100 7.719 11.051 4.115 1.00 0.00 C ATOM 1634 OD1 ASN A 100 8.394 10.237 3.517 1.00 0.00 O ATOM 1635 ND2 ASN A 100 7.707 12.297 3.728 1.00 0.00 N ATOM 0 H ASN A 100 6.870 10.316 8.340 1.00 0.00 H new ATOM 0 HA ASN A 100 8.387 9.277 6.046 1.00 0.00 H new ATOM 0 HB2 ASN A 100 6.164 9.863 5.031 1.00 0.00 H new ATOM 0 HB3 ASN A 100 6.300 11.482 5.687 1.00 0.00 H new ATOM 0 HD21 ASN A 100 8.264 12.587 2.924 1.00 0.00 H new ATOM 0 HD22 ASN A 100 7.141 12.981 4.229 1.00 0.00 H new ATOM 1642 N GLU A 101 9.005 11.283 8.174 1.00 0.00 N ATOM 1643 CA GLU A 101 9.902 12.353 8.695 1.00 0.00 C ATOM 1644 C GLU A 101 11.361 11.957 8.465 1.00 0.00 C ATOM 1645 O GLU A 101 11.669 11.155 7.606 1.00 0.00 O ATOM 1646 CB GLU A 101 9.655 12.542 10.193 1.00 0.00 C ATOM 1647 CG GLU A 101 9.366 14.015 10.482 1.00 0.00 C ATOM 1648 CD GLU A 101 10.243 14.491 11.641 1.00 0.00 C ATOM 1649 OE1 GLU A 101 10.028 14.027 12.749 1.00 0.00 O ATOM 1650 OE2 GLU A 101 11.115 15.309 11.402 1.00 0.00 O ATOM 0 H GLU A 101 8.651 10.633 8.876 1.00 0.00 H new ATOM 0 HA GLU A 101 9.693 13.286 8.171 1.00 0.00 H new ATOM 0 HB2 GLU A 101 8.815 11.926 10.514 1.00 0.00 H new ATOM 0 HB3 GLU A 101 10.526 12.214 10.760 1.00 0.00 H new ATOM 0 HG2 GLU A 101 9.562 14.616 9.594 1.00 0.00 H new ATOM 0 HG3 GLU A 101 8.313 14.148 10.731 1.00 0.00 H new ATOM 1657 N GLU A 102 12.262 12.515 9.227 1.00 0.00 N ATOM 1658 CA GLU A 102 13.698 12.173 9.052 1.00 0.00 C ATOM 1659 C GLU A 102 14.252 11.600 10.358 1.00 0.00 C ATOM 1660 O GLU A 102 15.185 10.822 10.359 1.00 0.00 O ATOM 1661 CB GLU A 102 14.478 13.434 8.672 1.00 0.00 C ATOM 1662 CG GLU A 102 14.253 14.515 9.732 1.00 0.00 C ATOM 1663 CD GLU A 102 15.604 14.994 10.268 1.00 0.00 C ATOM 1664 OE1 GLU A 102 16.513 15.151 9.469 1.00 0.00 O ATOM 1665 OE2 GLU A 102 15.707 15.194 11.466 1.00 0.00 O ATOM 0 H GLU A 102 12.063 13.193 9.963 1.00 0.00 H new ATOM 0 HA GLU A 102 13.801 11.430 8.261 1.00 0.00 H new ATOM 0 HB2 GLU A 102 15.541 13.206 8.590 1.00 0.00 H new ATOM 0 HB3 GLU A 102 14.154 13.794 7.696 1.00 0.00 H new ATOM 0 HG2 GLU A 102 13.703 15.352 9.302 1.00 0.00 H new ATOM 0 HG3 GLU A 102 13.646 14.120 10.547 1.00 0.00 H new ATOM 1672 N ASN A 103 13.685 11.977 11.472 1.00 0.00 N ATOM 1673 CA ASN A 103 14.180 11.452 12.775 1.00 0.00 C ATOM 1674 C ASN A 103 13.319 10.266 13.210 1.00 0.00 C ATOM 1675 O ASN A 103 12.907 10.171 14.349 1.00 0.00 O ATOM 1676 CB ASN A 103 14.099 12.554 13.833 1.00 0.00 C ATOM 1677 CG ASN A 103 12.696 13.163 13.829 1.00 0.00 C ATOM 1678 OD1 ASN A 103 11.724 12.479 13.575 1.00 0.00 O ATOM 1679 ND2 ASN A 103 12.548 14.430 14.102 1.00 0.00 N ATOM 0 H ASN A 103 12.901 12.626 11.535 1.00 0.00 H new ATOM 0 HA ASN A 103 15.215 11.128 12.664 1.00 0.00 H new ATOM 0 HB2 ASN A 103 14.327 12.145 14.817 1.00 0.00 H new ATOM 0 HB3 ASN A 103 14.842 13.325 13.628 1.00 0.00 H new ATOM 0 HD21 ASN A 103 11.617 14.846 14.102 1.00 0.00 H new ATOM 0 HD22 ASN A 103 13.363 15.004 14.315 1.00 0.00 H new ATOM 1686 N SER A 104 13.042 9.360 12.313 1.00 0.00 N ATOM 1687 CA SER A 104 12.207 8.183 12.678 1.00 0.00 C ATOM 1688 C SER A 104 13.110 6.972 12.921 1.00 0.00 C ATOM 1689 O SER A 104 13.731 6.456 12.013 1.00 0.00 O ATOM 1690 CB SER A 104 11.234 7.876 11.540 1.00 0.00 C ATOM 1691 OG SER A 104 11.937 7.888 10.305 1.00 0.00 O ATOM 0 H SER A 104 13.358 9.385 11.344 1.00 0.00 H new ATOM 0 HA SER A 104 11.645 8.403 13.586 1.00 0.00 H new ATOM 0 HB2 SER A 104 10.768 6.903 11.697 1.00 0.00 H new ATOM 0 HB3 SER A 104 10.432 8.614 11.522 1.00 0.00 H new ATOM 0 HG SER A 104 12.770 7.380 10.398 1.00 0.00 H new ATOM 1697 N SER A 105 13.189 6.515 14.141 1.00 0.00 N ATOM 1698 CA SER A 105 14.053 5.340 14.444 1.00 0.00 C ATOM 1699 C SER A 105 13.322 4.054 14.051 1.00 0.00 C ATOM 1700 O SER A 105 13.801 2.990 14.407 1.00 0.00 O ATOM 1701 CB SER A 105 14.367 5.312 15.940 1.00 0.00 C ATOM 1702 OG SER A 105 14.127 6.600 16.493 1.00 0.00 O ATOM 1703 OXT SER A 105 12.294 4.156 13.400 1.00 0.00 O ATOM 0 H SER A 105 12.692 6.905 14.941 1.00 0.00 H new ATOM 0 HA SER A 105 14.982 5.416 13.879 1.00 0.00 H new ATOM 0 HB2 SER A 105 13.747 4.567 16.440 1.00 0.00 H new ATOM 0 HB3 SER A 105 15.405 5.022 16.100 1.00 0.00 H new ATOM 0 HG SER A 105 13.207 6.646 16.827 1.00 0.00 H new TER 1709 SER A 105 ATOM 1710 N ASP B 1 10.518 -12.913 -9.434 1.00 0.00 N ATOM 1711 CA ASP B 1 11.228 -12.671 -8.147 1.00 0.00 C ATOM 1712 C ASP B 1 10.458 -11.632 -7.330 1.00 0.00 C ATOM 1713 O ASP B 1 9.817 -11.951 -6.349 1.00 0.00 O ATOM 1714 CB ASP B 1 12.639 -12.154 -8.433 1.00 0.00 C ATOM 1715 CG ASP B 1 13.657 -12.984 -7.649 1.00 0.00 C ATOM 1716 OD1 ASP B 1 14.110 -13.984 -8.182 1.00 0.00 O ATOM 1717 OD2 ASP B 1 13.965 -12.608 -6.530 1.00 0.00 O ATOM 0 H1 ASP B 1 11.040 -13.619 -9.991 1.00 0.00 H new ATOM 0 H2 ASP B 1 9.559 -13.265 -9.240 1.00 0.00 H new ATOM 0 H3 ASP B 1 10.459 -12.024 -9.970 1.00 0.00 H new ATOM 0 HA ASP B 1 11.291 -13.602 -7.584 1.00 0.00 H new ATOM 0 HB2 ASP B 1 12.850 -12.214 -9.501 1.00 0.00 H new ATOM 0 HB3 ASP B 1 12.717 -11.104 -8.152 1.00 0.00 H new ATOM 1724 N ASN B 2 10.516 -10.390 -7.726 1.00 0.00 N ATOM 1725 CA ASN B 2 9.785 -9.331 -6.973 1.00 0.00 C ATOM 1726 C ASN B 2 8.567 -8.881 -7.781 1.00 0.00 C ATOM 1727 O ASN B 2 8.593 -8.846 -8.995 1.00 0.00 O ATOM 1728 CB ASN B 2 10.715 -8.137 -6.739 1.00 0.00 C ATOM 1729 CG ASN B 2 11.619 -7.947 -7.958 1.00 0.00 C ATOM 1730 OD1 ASN B 2 11.146 -7.672 -9.043 1.00 0.00 O ATOM 1731 ND2 ASN B 2 12.910 -8.081 -7.825 1.00 0.00 N ATOM 0 H ASN B 2 11.038 -10.062 -8.539 1.00 0.00 H new ATOM 0 HA ASN B 2 9.456 -9.728 -6.012 1.00 0.00 H new ATOM 0 HB2 ASN B 2 10.129 -7.235 -6.564 1.00 0.00 H new ATOM 0 HB3 ASN B 2 11.319 -8.303 -5.847 1.00 0.00 H new ATOM 0 HD21 ASN B 2 13.522 -7.955 -8.632 1.00 0.00 H new ATOM 0 HD22 ASN B 2 13.308 -8.312 -6.915 1.00 0.00 H new ATOM 1738 N ASP B 3 7.497 -8.537 -7.117 1.00 0.00 N ATOM 1739 CA ASP B 3 6.278 -8.091 -7.848 1.00 0.00 C ATOM 1740 C ASP B 3 5.192 -7.712 -6.840 1.00 0.00 C ATOM 1741 O ASP B 3 5.445 -7.588 -5.658 1.00 0.00 O ATOM 1742 CB ASP B 3 5.773 -9.230 -8.737 1.00 0.00 C ATOM 1743 CG ASP B 3 5.630 -10.504 -7.902 1.00 0.00 C ATOM 1744 OD1 ASP B 3 5.586 -10.392 -6.688 1.00 0.00 O ATOM 1745 OD2 ASP B 3 5.567 -11.571 -8.492 1.00 0.00 O ATOM 0 H ASP B 3 7.415 -8.546 -6.100 1.00 0.00 H new ATOM 0 HA ASP B 3 6.519 -7.226 -8.466 1.00 0.00 H new ATOM 0 HB2 ASP B 3 4.813 -8.962 -9.179 1.00 0.00 H new ATOM 0 HB3 ASP B 3 6.467 -9.398 -9.560 1.00 0.00 H new HETATM 1750 N PTR B 4 3.987 -7.521 -7.299 1.00 0.00 N HETATM 1751 CA PTR B 4 2.888 -7.144 -6.366 1.00 0.00 C HETATM 1752 C PTR B 4 2.756 -8.206 -5.274 1.00 0.00 C HETATM 1753 O PTR B 4 3.321 -9.278 -5.365 1.00 0.00 O HETATM 1754 CB PTR B 4 1.571 -7.027 -7.137 1.00 0.00 C HETATM 1755 CG PTR B 4 1.342 -5.583 -7.516 1.00 0.00 C HETATM 1756 CD1 PTR B 4 2.274 -4.919 -8.320 1.00 0.00 C HETATM 1757 CD2 PTR B 4 0.202 -4.908 -7.062 1.00 0.00 C HETATM 1758 CE1 PTR B 4 2.070 -3.579 -8.669 1.00 0.00 C HETATM 1759 CE2 PTR B 4 -0.003 -3.568 -7.411 1.00 0.00 C HETATM 1760 CZ PTR B 4 0.932 -2.905 -8.215 1.00 0.00 C HETATM 1761 OH PTR B 4 0.726 -1.525 -8.568 1.00 0.00 O HETATM 1762 P PTR B 4 0.993 -0.350 -7.471 1.00 0.00 P HETATM 1763 O1P PTR B 4 0.882 -1.022 -6.111 1.00 0.00 O HETATM 1764 O2P PTR B 4 2.391 0.175 -7.756 1.00 0.00 O HETATM 1765 O3P PTR B 4 -0.088 0.691 -7.706 1.00 0.00 O HETATM 0 HE2 PTR B 4 -0.889 -3.041 -7.057 1.00 0.00 H new HETATM 0 HE1 PTR B 4 2.798 -3.061 -9.294 1.00 0.00 H new HETATM 0 HD2 PTR B 4 -0.525 -5.426 -6.437 1.00 0.00 H new HETATM 0 HD1 PTR B 4 3.160 -5.445 -8.675 1.00 0.00 H new HETATM 0 HB3 PTR B 4 1.603 -7.649 -8.031 1.00 0.00 H new HETATM 0 HB2 PTR B 4 0.745 -7.390 -6.526 1.00 0.00 H new HETATM 0 HA PTR B 4 3.119 -6.183 -5.907 1.00 0.00 H new ATOM 1774 N ILE B 5 2.019 -7.914 -4.236 1.00 0.00 N ATOM 1775 CA ILE B 5 1.858 -8.902 -3.136 1.00 0.00 C ATOM 1776 C ILE B 5 0.402 -8.942 -2.677 1.00 0.00 C ATOM 1777 O ILE B 5 -0.347 -8.002 -2.854 1.00 0.00 O ATOM 1778 CB ILE B 5 2.733 -8.498 -1.946 1.00 0.00 C ATOM 1779 CG1 ILE B 5 2.624 -6.989 -1.702 1.00 0.00 C ATOM 1780 CG2 ILE B 5 4.190 -8.859 -2.224 1.00 0.00 C ATOM 1781 CD1 ILE B 5 1.501 -6.712 -0.701 1.00 0.00 C ATOM 0 H ILE B 5 1.522 -7.033 -4.104 1.00 0.00 H new ATOM 0 HA ILE B 5 2.156 -9.884 -3.504 1.00 0.00 H new ATOM 0 HB ILE B 5 2.388 -9.034 -1.061 1.00 0.00 H new ATOM 0 HG12 ILE B 5 3.569 -6.603 -1.320 1.00 0.00 H new ATOM 0 HG13 ILE B 5 2.424 -6.472 -2.641 1.00 0.00 H new ATOM 0 HG21 ILE B 5 4.806 -8.568 -1.373 1.00 0.00 H new ATOM 0 HG22 ILE B 5 4.275 -9.934 -2.383 1.00 0.00 H new ATOM 0 HG23 ILE B 5 4.532 -8.333 -3.115 1.00 0.00 H new ATOM 0 HD11 ILE B 5 1.424 -5.639 -0.528 1.00 0.00 H new ATOM 0 HD12 ILE B 5 0.557 -7.084 -1.101 1.00 0.00 H new ATOM 0 HD13 ILE B 5 1.720 -7.216 0.240 1.00 0.00 H new ATOM 1793 N ILE B 6 0.009 -10.020 -2.060 1.00 0.00 N ATOM 1794 CA ILE B 6 -1.382 -10.127 -1.547 1.00 0.00 C ATOM 1795 C ILE B 6 -1.330 -9.893 -0.040 1.00 0.00 C ATOM 1796 O ILE B 6 -0.402 -10.321 0.610 1.00 0.00 O ATOM 1797 CB ILE B 6 -1.934 -11.525 -1.838 1.00 0.00 C ATOM 1798 CG1 ILE B 6 -1.931 -11.767 -3.349 1.00 0.00 C ATOM 1799 CG2 ILE B 6 -3.365 -11.630 -1.308 1.00 0.00 C ATOM 1800 CD1 ILE B 6 -2.451 -13.175 -3.645 1.00 0.00 C ATOM 0 H ILE B 6 0.596 -10.836 -1.888 1.00 0.00 H new ATOM 0 HA ILE B 6 -2.030 -9.395 -2.028 1.00 0.00 H new ATOM 0 HB ILE B 6 -1.310 -12.272 -1.347 1.00 0.00 H new ATOM 0 HG12 ILE B 6 -2.556 -11.026 -3.847 1.00 0.00 H new ATOM 0 HG13 ILE B 6 -0.922 -11.651 -3.744 1.00 0.00 H new ATOM 0 HG21 ILE B 6 -3.758 -12.625 -1.515 1.00 0.00 H new ATOM 0 HG22 ILE B 6 -3.368 -11.456 -0.232 1.00 0.00 H new ATOM 0 HG23 ILE B 6 -3.990 -10.884 -1.798 1.00 0.00 H new ATOM 0 HD11 ILE B 6 -2.448 -13.345 -4.722 1.00 0.00 H new ATOM 0 HD12 ILE B 6 -1.808 -13.910 -3.160 1.00 0.00 H new ATOM 0 HD13 ILE B 6 -3.468 -13.275 -3.265 1.00 0.00 H new ATOM 1812 N PRO B 7 -2.307 -9.203 0.471 1.00 0.00 N ATOM 1813 CA PRO B 7 -2.412 -8.855 1.910 1.00 0.00 C ATOM 1814 C PRO B 7 -2.813 -10.072 2.741 1.00 0.00 C ATOM 1815 O PRO B 7 -3.949 -10.224 3.147 1.00 0.00 O ATOM 1816 CB PRO B 7 -3.461 -7.760 1.997 1.00 0.00 C ATOM 1817 CG PRO B 7 -4.322 -7.900 0.743 1.00 0.00 C ATOM 1818 CD PRO B 7 -3.471 -8.663 -0.283 1.00 0.00 C ATOM 0 HA PRO B 7 -1.455 -8.518 2.309 1.00 0.00 H new ATOM 0 HB2 PRO B 7 -4.064 -7.868 2.898 1.00 0.00 H new ATOM 0 HB3 PRO B 7 -2.995 -6.776 2.042 1.00 0.00 H new ATOM 0 HG2 PRO B 7 -5.243 -8.440 0.962 1.00 0.00 H new ATOM 0 HG3 PRO B 7 -4.610 -6.922 0.358 1.00 0.00 H new ATOM 0 HD2 PRO B 7 -4.044 -9.467 -0.745 1.00 0.00 H new ATOM 0 HD3 PRO B 7 -3.144 -8.003 -1.086 1.00 0.00 H new ATOM 1826 N LEU B 8 -1.869 -10.927 3.009 1.00 0.00 N ATOM 1827 CA LEU B 8 -2.146 -12.135 3.831 1.00 0.00 C ATOM 1828 C LEU B 8 -1.169 -12.142 5.011 1.00 0.00 C ATOM 1829 O LEU B 8 0.010 -12.373 4.834 1.00 0.00 O ATOM 1830 CB LEU B 8 -1.933 -13.392 2.984 1.00 0.00 C ATOM 1831 CG LEU B 8 -3.285 -14.037 2.676 1.00 0.00 C ATOM 1832 CD1 LEU B 8 -3.890 -14.597 3.966 1.00 0.00 C ATOM 1833 CD2 LEU B 8 -4.228 -12.985 2.087 1.00 0.00 C ATOM 0 H LEU B 8 -0.904 -10.839 2.689 1.00 0.00 H new ATOM 0 HA LEU B 8 -3.175 -12.121 4.190 1.00 0.00 H new ATOM 0 HB2 LEU B 8 -1.421 -13.136 2.056 1.00 0.00 H new ATOM 0 HB3 LEU B 8 -1.295 -14.098 3.516 1.00 0.00 H new ATOM 0 HG LEU B 8 -3.147 -14.846 1.959 1.00 0.00 H new ATOM 0 HD11 LEU B 8 -4.854 -15.057 3.746 1.00 0.00 H new ATOM 0 HD12 LEU B 8 -3.219 -15.345 4.388 1.00 0.00 H new ATOM 0 HD13 LEU B 8 -4.029 -13.788 4.684 1.00 0.00 H new ATOM 0 HD21 LEU B 8 -5.192 -13.443 1.867 1.00 0.00 H new ATOM 0 HD22 LEU B 8 -4.366 -12.177 2.805 1.00 0.00 H new ATOM 0 HD23 LEU B 8 -3.798 -12.585 1.169 1.00 0.00 H new ATOM 1845 N PRO B 9 -1.687 -11.870 6.180 1.00 0.00 N ATOM 1846 CA PRO B 9 -0.912 -11.806 7.446 1.00 0.00 C ATOM 1847 C PRO B 9 -0.554 -13.211 7.927 1.00 0.00 C ATOM 1848 O PRO B 9 -1.298 -14.153 7.739 1.00 0.00 O ATOM 1849 CB PRO B 9 -1.821 -11.101 8.451 1.00 0.00 C ATOM 1850 CG PRO B 9 -3.250 -11.288 7.934 1.00 0.00 C ATOM 1851 CD PRO B 9 -3.129 -11.592 6.436 1.00 0.00 C ATOM 0 HA PRO B 9 0.029 -11.271 7.317 1.00 0.00 H new ATOM 0 HB2 PRO B 9 -1.708 -11.530 9.447 1.00 0.00 H new ATOM 0 HB3 PRO B 9 -1.570 -10.043 8.529 1.00 0.00 H new ATOM 0 HG2 PRO B 9 -3.749 -12.104 8.457 1.00 0.00 H new ATOM 0 HG3 PRO B 9 -3.845 -10.390 8.102 1.00 0.00 H new ATOM 0 HD2 PRO B 9 -3.745 -12.449 6.162 1.00 0.00 H new ATOM 0 HD3 PRO B 9 -3.474 -10.748 5.839 1.00 0.00 H new ATOM 1859 N ASP B 10 0.587 -13.357 8.545 1.00 0.00 N ATOM 1860 CA ASP B 10 1.007 -14.697 9.038 1.00 0.00 C ATOM 1861 C ASP B 10 -0.140 -15.332 9.829 1.00 0.00 C ATOM 1862 O ASP B 10 -0.983 -14.639 10.364 1.00 0.00 O ATOM 1863 CB ASP B 10 2.230 -14.546 9.944 1.00 0.00 C ATOM 1864 CG ASP B 10 3.428 -15.253 9.306 1.00 0.00 C ATOM 1865 OD1 ASP B 10 3.206 -16.134 8.493 1.00 0.00 O ATOM 1866 OD2 ASP B 10 4.547 -14.898 9.641 1.00 0.00 O ATOM 0 H ASP B 10 1.248 -12.602 8.730 1.00 0.00 H new ATOM 0 HA ASP B 10 1.260 -15.334 8.190 1.00 0.00 H new ATOM 0 HB2 ASP B 10 2.456 -13.490 10.096 1.00 0.00 H new ATOM 0 HB3 ASP B 10 2.023 -14.972 10.926 1.00 0.00 H new ATOM 1871 N PRO B 11 -0.130 -16.636 9.876 1.00 0.00 N ATOM 1872 CA PRO B 11 -1.138 -17.465 10.584 1.00 0.00 C ATOM 1873 C PRO B 11 -0.845 -17.478 12.086 1.00 0.00 C ATOM 1874 O PRO B 11 -0.389 -18.463 12.631 1.00 0.00 O ATOM 1875 CB PRO B 11 -0.996 -18.869 10.000 1.00 0.00 C ATOM 1876 CG PRO B 11 0.422 -18.949 9.427 1.00 0.00 C ATOM 1877 CD PRO B 11 0.893 -17.502 9.226 1.00 0.00 C ATOM 0 HA PRO B 11 -2.149 -17.077 10.456 1.00 0.00 H new ATOM 0 HB2 PRO B 11 -1.150 -19.628 10.767 1.00 0.00 H new ATOM 0 HB3 PRO B 11 -1.741 -19.045 9.224 1.00 0.00 H new ATOM 0 HG2 PRO B 11 1.086 -19.482 10.108 1.00 0.00 H new ATOM 0 HG3 PRO B 11 0.429 -19.494 8.483 1.00 0.00 H new ATOM 0 HD2 PRO B 11 1.875 -17.347 9.673 1.00 0.00 H new ATOM 0 HD3 PRO B 11 0.985 -17.267 8.166 1.00 0.00 H new ATOM 1885 N LYS B 12 -1.102 -16.390 12.759 1.00 0.00 N ATOM 1886 CA LYS B 12 -0.835 -16.340 14.224 1.00 0.00 C ATOM 1887 C LYS B 12 -1.854 -15.418 14.898 1.00 0.00 C ATOM 1888 O LYS B 12 -3.000 -15.820 15.015 1.00 0.00 O ATOM 1889 CB LYS B 12 0.578 -15.801 14.466 1.00 0.00 C ATOM 1890 CG LYS B 12 1.549 -16.972 14.628 1.00 0.00 C ATOM 1891 CD LYS B 12 2.822 -16.694 13.823 1.00 0.00 C ATOM 1892 CE LYS B 12 3.951 -16.292 14.774 1.00 0.00 C ATOM 1893 NZ LYS B 12 4.684 -17.510 15.220 1.00 0.00 N ATOM 1894 OXT LYS B 12 -1.471 -14.327 15.286 1.00 0.00 O ATOM 0 H LYS B 12 -1.485 -15.534 12.358 1.00 0.00 H new ATOM 0 HA LYS B 12 -0.920 -17.343 14.643 1.00 0.00 H new ATOM 0 HB2 LYS B 12 0.887 -15.171 13.631 1.00 0.00 H new ATOM 0 HB3 LYS B 12 0.593 -15.176 15.359 1.00 0.00 H new ATOM 0 HG2 LYS B 12 1.795 -17.112 15.681 1.00 0.00 H new ATOM 0 HG3 LYS B 12 1.083 -17.895 14.284 1.00 0.00 H new ATOM 0 HD2 LYS B 12 3.108 -17.581 13.257 1.00 0.00 H new ATOM 0 HD3 LYS B 12 2.641 -15.899 13.100 1.00 0.00 H new ATOM 0 HE2 LYS B 12 4.635 -15.606 14.274 1.00 0.00 H new ATOM 0 HE3 LYS B 12 3.544 -15.764 15.636 1.00 0.00 H new ATOM 0 HZ1 LYS B 12 5.451 -17.236 15.866 1.00 0.00 H new ATOM 0 HZ2 LYS B 12 4.028 -18.149 15.713 1.00 0.00 H new ATOM 0 HZ3 LYS B 12 5.085 -17.996 14.393 1.00 0.00 H new TER 1908 LYS B 12