USER MOD reduce.3.24.130724 H: found=0, std=0, add=716, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 716 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 30 THR OG1 : rot 20:sc= 0.276 USER MOD Set 1.2: A 53 SER OG : rot 33:sc= 0.844 USER MOD Set 2.1: A 38 GLN : amide:sc= -3.3! C(o=-8.2!,f=-6.7!) USER MOD Set 2.2: A 43 ASN : amide:sc= -4.85! C(o=-8.2!,f=-5.1!) USER MOD Set 3.1: A 32 THR OG1 : rot -46:sc= 0.701 USER MOD Set 3.2: A 33 LYS NZ :NH3+ -153:sc= -0.367 (180deg=-1.59) USER MOD Set 4.1: A 31 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 56 HIS : no HE2:sc= -1.73 K(o=-1.7,f=-4.6) USER MOD Set 5.1: A 5 SER OG : rot 180:sc= 0.396 USER MOD Set 5.2: A 18 THR OG1 : rot 141:sc= 0.437 USER MOD Set 6.1: A 7 SER OG : rot -8:sc= 0.365 USER MOD Set 6.2: A 15 MET CE :methyl 135:sc= -0.385 (180deg=-1.23) USER MOD Set 7.1: A 13 ASN : amide:sc= 0 K(o=-0.073,f=-1.7) USER MOD Set 7.2: A 67 ASN : amide:sc= -0.0732 X(o=-0.073,f=0) USER MOD Set 8.1: A 1 MET N :NH3+ 177:sc= 0.485 (180deg=-0.319) USER MOD Set 8.2: A 20 SER OG : rot 91:sc= 1.11 USER MOD Set 9.1: A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 9.2: A 26 MET CE :methyl -176:sc= 0 (180deg=-0.0341) USER MOD Single : A 2 LYS NZ :NH3+ -144:sc= 0.0907 (180deg=-0.383) USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.727 USER MOD Single : A 11 ASN : amide:sc= -5.8! C(o=-5.8!,f=-6.4!) USER MOD Single : A 12 HIS : no HD1:sc= 0 X(o=0,f=-0.0047) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -126:sc= 0.11 (180deg=0) USER MOD Single : A 22 SER OG : rot 54:sc= 0.0924 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 53:sc= 0.262 USER MOD Single : A 37 SER OG : rot 11:sc= 0.208 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ -167:sc= -0.0427 (180deg=-0.238) USER MOD Single : A 58 MET CE :methyl -149:sc= 0 (180deg=-0.792) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -105:sc= 1.79 (180deg=-0.797) USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ -169:sc= 0.319 (180deg=0.145) USER MOD Single : A 86 HIS : no HD1:sc= -0.265 X(o=-0.26,f=-0.019) USER MOD Single : A 87 HIS : no HD1:sc= -0.135 K(o=-0.13,f=-0.79) USER MOD Single : A 88 HIS : no HD1:sc= -0.149 X(o=-0.15,f=0) USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 90 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=-0.0096) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.424 3.387 -5.429 1.00 0.00 N ATOM 2 CA MET A 1 11.046 3.149 -4.928 1.00 0.00 C ATOM 3 C MET A 1 10.888 1.727 -4.377 1.00 0.00 C ATOM 4 O MET A 1 9.793 1.162 -4.403 1.00 0.00 O ATOM 5 CB MET A 1 10.010 3.464 -6.044 1.00 0.00 C ATOM 6 CG MET A 1 10.051 4.917 -6.545 1.00 0.00 C ATOM 7 SD MET A 1 8.766 5.266 -7.767 1.00 0.00 S ATOM 8 CE MET A 1 9.158 6.952 -8.244 1.00 0.00 C ATOM 0 H1 MET A 1 12.484 4.340 -5.841 1.00 0.00 H new ATOM 0 H2 MET A 1 13.098 3.307 -4.641 1.00 0.00 H new ATOM 0 H3 MET A 1 12.656 2.680 -6.156 1.00 0.00 H new ATOM 0 HA MET A 1 10.856 3.826 -4.095 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.185 2.795 -6.887 1.00 0.00 H new ATOM 0 HB3 MET A 1 9.010 3.248 -5.668 1.00 0.00 H new ATOM 0 HG2 MET A 1 9.935 5.593 -5.698 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.028 5.119 -6.983 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.444 7.294 -8.993 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.104 7.600 -7.369 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.165 6.988 -8.660 1.00 0.00 H new ATOM 20 N LYS A 2 11.988 1.164 -3.840 1.00 0.00 N ATOM 21 CA LYS A 2 11.961 -0.154 -3.176 1.00 0.00 C ATOM 22 C LYS A 2 11.706 0.036 -1.668 1.00 0.00 C ATOM 23 O LYS A 2 11.946 1.124 -1.121 1.00 0.00 O ATOM 24 CB LYS A 2 13.282 -0.945 -3.424 1.00 0.00 C ATOM 25 CG LYS A 2 13.718 -1.057 -4.913 1.00 0.00 C ATOM 26 CD LYS A 2 12.604 -1.565 -5.864 1.00 0.00 C ATOM 27 CE LYS A 2 12.130 -2.992 -5.550 1.00 0.00 C ATOM 28 NZ LYS A 2 13.186 -4.012 -5.778 1.00 0.00 N ATOM 0 H LYS A 2 12.909 1.603 -3.853 1.00 0.00 H new ATOM 0 HA LYS A 2 11.150 -0.744 -3.604 1.00 0.00 H new ATOM 0 HB2 LYS A 2 14.084 -0.466 -2.862 1.00 0.00 H new ATOM 0 HB3 LYS A 2 13.166 -1.951 -3.020 1.00 0.00 H new ATOM 0 HG2 LYS A 2 14.055 -0.079 -5.256 1.00 0.00 H new ATOM 0 HG3 LYS A 2 14.573 -1.730 -4.980 1.00 0.00 H new ATOM 0 HD2 LYS A 2 11.752 -0.887 -5.807 1.00 0.00 H new ATOM 0 HD3 LYS A 2 12.970 -1.530 -6.890 1.00 0.00 H new ATOM 0 HE2 LYS A 2 11.802 -3.041 -4.512 1.00 0.00 H new ATOM 0 HE3 LYS A 2 11.264 -3.227 -6.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 12.754 -4.882 -6.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 13.877 -3.648 -6.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 13.667 -4.221 -4.880 1.00 0.00 H new ATOM 42 N ILE A 3 11.202 -1.025 -1.013 1.00 0.00 N ATOM 43 CA ILE A 3 10.882 -0.997 0.425 1.00 0.00 C ATOM 44 C ILE A 3 12.176 -1.112 1.255 1.00 0.00 C ATOM 45 O ILE A 3 13.003 -1.997 1.009 1.00 0.00 O ATOM 46 CB ILE A 3 9.897 -2.157 0.852 1.00 0.00 C ATOM 47 CG1 ILE A 3 8.658 -2.235 -0.099 1.00 0.00 C ATOM 48 CG2 ILE A 3 9.452 -1.981 2.331 1.00 0.00 C ATOM 49 CD1 ILE A 3 7.713 -3.405 0.180 1.00 0.00 C ATOM 0 H ILE A 3 11.006 -1.920 -1.462 1.00 0.00 H new ATOM 0 HA ILE A 3 10.384 -0.047 0.617 1.00 0.00 H new ATOM 0 HB ILE A 3 10.436 -3.101 0.765 1.00 0.00 H new ATOM 0 HG12 ILE A 3 8.096 -1.304 -0.019 1.00 0.00 H new ATOM 0 HG13 ILE A 3 9.010 -2.307 -1.128 1.00 0.00 H new ATOM 0 HG21 ILE A 3 8.774 -2.789 2.606 1.00 0.00 H new ATOM 0 HG22 ILE A 3 10.328 -2.005 2.980 1.00 0.00 H new ATOM 0 HG23 ILE A 3 8.942 -1.025 2.446 1.00 0.00 H new ATOM 0 HD11 ILE A 3 6.884 -3.379 -0.527 1.00 0.00 H new ATOM 0 HD12 ILE A 3 8.255 -4.344 0.070 1.00 0.00 H new ATOM 0 HD13 ILE A 3 7.326 -3.326 1.196 1.00 0.00 H new ATOM 61 N ILE A 4 12.338 -0.198 2.223 1.00 0.00 N ATOM 62 CA ILE A 4 13.440 -0.221 3.199 1.00 0.00 C ATOM 63 C ILE A 4 13.045 -1.085 4.415 1.00 0.00 C ATOM 64 O ILE A 4 13.810 -1.961 4.843 1.00 0.00 O ATOM 65 CB ILE A 4 13.821 1.240 3.664 1.00 0.00 C ATOM 66 CG1 ILE A 4 14.277 2.105 2.444 1.00 0.00 C ATOM 67 CG2 ILE A 4 14.897 1.239 4.784 1.00 0.00 C ATOM 68 CD1 ILE A 4 15.496 1.575 1.695 1.00 0.00 C ATOM 0 H ILE A 4 11.700 0.588 2.353 1.00 0.00 H new ATOM 0 HA ILE A 4 14.315 -0.657 2.718 1.00 0.00 H new ATOM 0 HB ILE A 4 12.924 1.689 4.091 1.00 0.00 H new ATOM 0 HG12 ILE A 4 13.446 2.184 1.744 1.00 0.00 H new ATOM 0 HG13 ILE A 4 14.496 3.114 2.795 1.00 0.00 H new ATOM 0 HG21 ILE A 4 15.126 2.266 5.070 1.00 0.00 H new ATOM 0 HG22 ILE A 4 14.520 0.696 5.651 1.00 0.00 H new ATOM 0 HG23 ILE A 4 15.802 0.754 4.418 1.00 0.00 H new ATOM 0 HD11 ILE A 4 15.733 2.243 0.867 1.00 0.00 H new ATOM 0 HD12 ILE A 4 16.346 1.523 2.375 1.00 0.00 H new ATOM 0 HD13 ILE A 4 15.280 0.579 1.307 1.00 0.00 H new ATOM 80 N SER A 5 11.832 -0.846 4.952 1.00 0.00 N ATOM 81 CA SER A 5 11.316 -1.555 6.135 1.00 0.00 C ATOM 82 C SER A 5 9.807 -1.818 5.965 1.00 0.00 C ATOM 83 O SER A 5 9.042 -0.899 5.622 1.00 0.00 O ATOM 84 CB SER A 5 11.616 -0.737 7.419 1.00 0.00 C ATOM 85 OG SER A 5 11.127 0.591 7.320 1.00 0.00 O ATOM 0 H SER A 5 11.183 -0.155 4.576 1.00 0.00 H new ATOM 0 HA SER A 5 11.816 -2.518 6.234 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.162 -1.229 8.279 1.00 0.00 H new ATOM 0 HB3 SER A 5 12.692 -0.717 7.595 1.00 0.00 H new ATOM 0 HG SER A 5 11.331 1.077 8.146 1.00 0.00 H new ATOM 91 N ILE A 6 9.397 -3.091 6.163 1.00 0.00 N ATOM 92 CA ILE A 6 7.996 -3.518 6.031 1.00 0.00 C ATOM 93 C ILE A 6 7.309 -3.382 7.404 1.00 0.00 C ATOM 94 O ILE A 6 7.343 -4.311 8.220 1.00 0.00 O ATOM 95 CB ILE A 6 7.838 -5.007 5.493 1.00 0.00 C ATOM 96 CG1 ILE A 6 8.598 -5.245 4.143 1.00 0.00 C ATOM 97 CG2 ILE A 6 6.345 -5.379 5.317 1.00 0.00 C ATOM 98 CD1 ILE A 6 10.097 -5.451 4.261 1.00 0.00 C ATOM 0 H ILE A 6 10.032 -3.847 6.419 1.00 0.00 H new ATOM 0 HA ILE A 6 7.525 -2.874 5.288 1.00 0.00 H new ATOM 0 HB ILE A 6 8.288 -5.652 6.248 1.00 0.00 H new ATOM 0 HG12 ILE A 6 8.167 -6.118 3.653 1.00 0.00 H new ATOM 0 HG13 ILE A 6 8.417 -4.391 3.490 1.00 0.00 H new ATOM 0 HG21 ILE A 6 6.266 -6.402 4.948 1.00 0.00 H new ATOM 0 HG22 ILE A 6 5.834 -5.299 6.277 1.00 0.00 H new ATOM 0 HG23 ILE A 6 5.882 -4.699 4.602 1.00 0.00 H new ATOM 0 HD11 ILE A 6 10.522 -5.607 3.269 1.00 0.00 H new ATOM 0 HD12 ILE A 6 10.551 -4.571 4.716 1.00 0.00 H new ATOM 0 HD13 ILE A 6 10.296 -6.324 4.882 1.00 0.00 H new ATOM 110 N SER A 7 6.789 -2.175 7.668 1.00 0.00 N ATOM 111 CA SER A 7 5.932 -1.841 8.833 1.00 0.00 C ATOM 112 C SER A 7 6.618 -2.070 10.203 1.00 0.00 C ATOM 113 O SER A 7 7.782 -2.477 10.282 1.00 0.00 O ATOM 114 CB SER A 7 4.546 -2.563 8.749 1.00 0.00 C ATOM 115 OG SER A 7 4.632 -3.980 8.826 1.00 0.00 O ATOM 0 H SER A 7 6.954 -1.372 7.061 1.00 0.00 H new ATOM 0 HA SER A 7 5.759 -0.766 8.774 1.00 0.00 H new ATOM 0 HB2 SER A 7 3.909 -2.202 9.557 1.00 0.00 H new ATOM 0 HB3 SER A 7 4.060 -2.288 7.813 1.00 0.00 H new ATOM 0 HG SER A 7 5.572 -4.253 8.790 1.00 0.00 H new ATOM 121 N GLU A 8 5.897 -1.710 11.279 1.00 0.00 N ATOM 122 CA GLU A 8 6.240 -2.065 12.663 1.00 0.00 C ATOM 123 C GLU A 8 5.131 -2.993 13.217 1.00 0.00 C ATOM 124 O GLU A 8 4.300 -3.495 12.442 1.00 0.00 O ATOM 125 CB GLU A 8 6.374 -0.766 13.507 1.00 0.00 C ATOM 126 CG GLU A 8 7.334 0.288 12.927 1.00 0.00 C ATOM 127 CD GLU A 8 7.397 1.584 13.756 1.00 0.00 C ATOM 128 OE1 GLU A 8 6.367 2.278 13.868 1.00 0.00 O ATOM 129 OE2 GLU A 8 8.473 1.915 14.302 1.00 0.00 O ATOM 0 H GLU A 8 5.045 -1.154 11.208 1.00 0.00 H new ATOM 0 HA GLU A 8 7.193 -2.592 12.709 1.00 0.00 H new ATOM 0 HB2 GLU A 8 5.387 -0.317 13.615 1.00 0.00 H new ATOM 0 HB3 GLU A 8 6.713 -1.034 14.508 1.00 0.00 H new ATOM 0 HG2 GLU A 8 8.334 -0.140 12.861 1.00 0.00 H new ATOM 0 HG3 GLU A 8 7.023 0.531 11.911 1.00 0.00 H new ATOM 136 N THR A 9 5.093 -3.205 14.543 1.00 0.00 N ATOM 137 CA THR A 9 4.133 -4.119 15.171 1.00 0.00 C ATOM 138 C THR A 9 2.770 -3.439 15.516 1.00 0.00 C ATOM 139 O THR A 9 1.725 -3.983 15.123 1.00 0.00 O ATOM 140 CB THR A 9 4.747 -4.788 16.447 1.00 0.00 C ATOM 141 OG1 THR A 9 5.263 -3.785 17.331 1.00 0.00 O ATOM 142 CG2 THR A 9 5.881 -5.776 16.103 1.00 0.00 C ATOM 0 H THR A 9 5.723 -2.750 15.203 1.00 0.00 H new ATOM 0 HA THR A 9 3.921 -4.889 14.430 1.00 0.00 H new ATOM 0 HB THR A 9 3.943 -5.345 16.928 1.00 0.00 H new ATOM 0 HG1 THR A 9 5.643 -4.214 18.126 1.00 0.00 H new ATOM 0 HG21 THR A 9 6.274 -6.213 17.021 1.00 0.00 H new ATOM 0 HG22 THR A 9 5.492 -6.567 15.462 1.00 0.00 H new ATOM 0 HG23 THR A 9 6.679 -5.247 15.583 1.00 0.00 H new ATOM 150 N PRO A 10 2.717 -2.222 16.197 1.00 0.00 N ATOM 151 CA PRO A 10 1.446 -1.722 16.791 1.00 0.00 C ATOM 152 C PRO A 10 0.458 -1.182 15.728 1.00 0.00 C ATOM 153 O PRO A 10 -0.711 -0.908 16.023 1.00 0.00 O ATOM 154 CB PRO A 10 1.930 -0.604 17.737 1.00 0.00 C ATOM 155 CG PRO A 10 3.134 -0.040 17.057 1.00 0.00 C ATOM 156 CD PRO A 10 3.813 -1.219 16.378 1.00 0.00 C ATOM 0 HA PRO A 10 0.882 -2.508 17.294 1.00 0.00 H new ATOM 0 HB2 PRO A 10 1.162 0.156 17.880 1.00 0.00 H new ATOM 0 HB3 PRO A 10 2.178 -0.997 18.723 1.00 0.00 H new ATOM 0 HG2 PRO A 10 2.852 0.721 16.330 1.00 0.00 H new ATOM 0 HG3 PRO A 10 3.802 0.436 17.775 1.00 0.00 H new ATOM 0 HD2 PRO A 10 4.250 -0.930 15.422 1.00 0.00 H new ATOM 0 HD3 PRO A 10 4.621 -1.619 16.990 1.00 0.00 H new ATOM 164 N ASN A 11 0.962 -1.053 14.495 1.00 0.00 N ATOM 165 CA ASN A 11 0.224 -0.520 13.344 1.00 0.00 C ATOM 166 C ASN A 11 -0.311 -1.677 12.473 1.00 0.00 C ATOM 167 O ASN A 11 -0.155 -1.695 11.245 1.00 0.00 O ATOM 168 CB ASN A 11 1.148 0.438 12.556 1.00 0.00 C ATOM 169 CG ASN A 11 2.452 -0.207 12.071 1.00 0.00 C ATOM 170 OD1 ASN A 11 3.434 -0.204 12.787 1.00 0.00 O ATOM 171 ND2 ASN A 11 2.470 -0.750 10.859 1.00 0.00 N ATOM 0 H ASN A 11 1.918 -1.323 14.264 1.00 0.00 H new ATOM 0 HA ASN A 11 -0.644 0.048 13.677 1.00 0.00 H new ATOM 0 HB2 ASN A 11 0.603 0.823 11.694 1.00 0.00 H new ATOM 0 HB3 ASN A 11 1.391 1.292 13.188 1.00 0.00 H new ATOM 0 HD21 ASN A 11 3.325 -1.180 10.506 1.00 0.00 H new ATOM 0 HD22 ASN A 11 1.629 -0.737 10.282 1.00 0.00 H new ATOM 178 N HIS A 12 -0.985 -2.625 13.134 1.00 0.00 N ATOM 179 CA HIS A 12 -1.552 -3.827 12.492 1.00 0.00 C ATOM 180 C HIS A 12 -2.658 -3.472 11.477 1.00 0.00 C ATOM 181 O HIS A 12 -2.891 -4.219 10.523 1.00 0.00 O ATOM 182 CB HIS A 12 -2.107 -4.776 13.585 1.00 0.00 C ATOM 183 CG HIS A 12 -2.681 -6.075 13.074 1.00 0.00 C ATOM 184 ND1 HIS A 12 -3.986 -6.469 13.292 1.00 0.00 N ATOM 185 CD2 HIS A 12 -2.104 -7.075 12.370 1.00 0.00 C ATOM 186 CE1 HIS A 12 -4.183 -7.650 12.741 1.00 0.00 C ATOM 187 NE2 HIS A 12 -3.056 -8.039 12.175 1.00 0.00 N ATOM 0 H HIS A 12 -1.156 -2.583 14.139 1.00 0.00 H new ATOM 0 HA HIS A 12 -0.757 -4.325 11.937 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -1.306 -5.003 14.288 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -2.881 -4.249 14.143 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -1.081 -7.107 12.025 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -5.109 -8.205 12.751 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -2.917 -8.916 11.673 1.00 0.00 H new ATOM 196 N ASN A 13 -3.338 -2.332 11.696 1.00 0.00 N ATOM 197 CA ASN A 13 -4.441 -1.867 10.825 1.00 0.00 C ATOM 198 C ASN A 13 -3.997 -0.730 9.878 1.00 0.00 C ATOM 199 O ASN A 13 -4.833 -0.139 9.185 1.00 0.00 O ATOM 200 CB ASN A 13 -5.671 -1.451 11.684 1.00 0.00 C ATOM 201 CG ASN A 13 -6.230 -2.593 12.554 1.00 0.00 C ATOM 202 OD1 ASN A 13 -6.132 -3.774 12.204 1.00 0.00 O ATOM 203 ND2 ASN A 13 -6.809 -2.251 13.697 1.00 0.00 N ATOM 0 H ASN A 13 -3.142 -1.707 12.478 1.00 0.00 H new ATOM 0 HA ASN A 13 -4.734 -2.701 10.187 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -5.389 -0.619 12.329 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -6.459 -1.089 11.024 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -7.187 -2.971 14.312 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -6.876 -1.268 13.961 1.00 0.00 H new ATOM 210 N THR A 14 -2.675 -0.454 9.838 1.00 0.00 N ATOM 211 CA THR A 14 -2.078 0.556 8.938 1.00 0.00 C ATOM 212 C THR A 14 -0.566 0.287 8.765 1.00 0.00 C ATOM 213 O THR A 14 0.246 0.708 9.580 1.00 0.00 O ATOM 214 CB THR A 14 -2.367 2.030 9.441 1.00 0.00 C ATOM 215 OG1 THR A 14 -1.640 2.995 8.660 1.00 0.00 O ATOM 216 CG2 THR A 14 -2.069 2.234 10.943 1.00 0.00 C ATOM 0 H THR A 14 -1.991 -0.926 10.430 1.00 0.00 H new ATOM 0 HA THR A 14 -2.549 0.468 7.959 1.00 0.00 H new ATOM 0 HB THR A 14 -3.437 2.185 9.305 1.00 0.00 H new ATOM 0 HG1 THR A 14 -1.836 3.897 8.989 1.00 0.00 H new ATOM 0 HG21 THR A 14 -2.289 3.265 11.221 1.00 0.00 H new ATOM 0 HG22 THR A 14 -2.690 1.559 11.532 1.00 0.00 H new ATOM 0 HG23 THR A 14 -1.018 2.022 11.137 1.00 0.00 H new ATOM 224 N MET A 15 -0.184 -0.437 7.692 1.00 0.00 N ATOM 225 CA MET A 15 1.209 -0.909 7.512 1.00 0.00 C ATOM 226 C MET A 15 2.108 0.182 6.907 1.00 0.00 C ATOM 227 O MET A 15 1.807 0.723 5.848 1.00 0.00 O ATOM 228 CB MET A 15 1.256 -2.192 6.642 1.00 0.00 C ATOM 229 CG MET A 15 0.810 -3.466 7.367 1.00 0.00 C ATOM 230 SD MET A 15 1.044 -4.950 6.359 1.00 0.00 S ATOM 231 CE MET A 15 2.802 -4.900 6.022 1.00 0.00 C ATOM 0 H MET A 15 -0.816 -0.708 6.939 1.00 0.00 H new ATOM 0 HA MET A 15 1.596 -1.148 8.503 1.00 0.00 H new ATOM 0 HB2 MET A 15 0.623 -2.046 5.767 1.00 0.00 H new ATOM 0 HB3 MET A 15 2.274 -2.333 6.279 1.00 0.00 H new ATOM 0 HG2 MET A 15 1.372 -3.568 8.295 1.00 0.00 H new ATOM 0 HG3 MET A 15 -0.242 -3.377 7.639 1.00 0.00 H new ATOM 0 HE1 MET A 15 3.229 -5.892 6.170 1.00 0.00 H new ATOM 0 HE2 MET A 15 2.966 -4.584 4.992 1.00 0.00 H new ATOM 0 HE3 MET A 15 3.282 -4.194 6.699 1.00 0.00 H new ATOM 241 N LYS A 16 3.225 0.459 7.613 1.00 0.00 N ATOM 242 CA LYS A 16 4.233 1.463 7.230 1.00 0.00 C ATOM 243 C LYS A 16 5.188 0.907 6.146 1.00 0.00 C ATOM 244 O LYS A 16 6.202 0.286 6.461 1.00 0.00 O ATOM 245 CB LYS A 16 5.034 1.882 8.504 1.00 0.00 C ATOM 246 CG LYS A 16 6.112 2.970 8.280 1.00 0.00 C ATOM 247 CD LYS A 16 6.985 3.235 9.534 1.00 0.00 C ATOM 248 CE LYS A 16 6.162 3.634 10.772 1.00 0.00 C ATOM 249 NZ LYS A 16 5.376 4.880 10.559 1.00 0.00 N ATOM 0 H LYS A 16 3.453 -0.021 8.483 1.00 0.00 H new ATOM 0 HA LYS A 16 3.731 2.333 6.807 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.329 2.241 9.254 1.00 0.00 H new ATOM 0 HB3 LYS A 16 5.516 0.996 8.918 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.756 2.669 7.454 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.625 3.898 7.982 1.00 0.00 H new ATOM 0 HD2 LYS A 16 7.562 2.339 9.763 1.00 0.00 H new ATOM 0 HD3 LYS A 16 7.700 4.027 9.310 1.00 0.00 H new ATOM 0 HE2 LYS A 16 5.484 2.821 11.031 1.00 0.00 H new ATOM 0 HE3 LYS A 16 6.832 3.772 11.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.596 5.562 11.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 5.622 5.292 9.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 4.360 4.657 10.579 1.00 0.00 H new ATOM 263 N ILE A 17 4.833 1.090 4.869 1.00 0.00 N ATOM 264 CA ILE A 17 5.703 0.709 3.742 1.00 0.00 C ATOM 265 C ILE A 17 6.675 1.863 3.458 1.00 0.00 C ATOM 266 O ILE A 17 6.340 2.832 2.774 1.00 0.00 O ATOM 267 CB ILE A 17 4.851 0.354 2.466 1.00 0.00 C ATOM 268 CG1 ILE A 17 3.833 -0.782 2.809 1.00 0.00 C ATOM 269 CG2 ILE A 17 5.755 -0.037 1.263 1.00 0.00 C ATOM 270 CD1 ILE A 17 2.845 -1.105 1.705 1.00 0.00 C ATOM 0 H ILE A 17 3.944 1.502 4.586 1.00 0.00 H new ATOM 0 HA ILE A 17 6.270 -0.184 4.004 1.00 0.00 H new ATOM 0 HB ILE A 17 4.295 1.242 2.164 1.00 0.00 H new ATOM 0 HG12 ILE A 17 4.389 -1.686 3.056 1.00 0.00 H new ATOM 0 HG13 ILE A 17 3.278 -0.495 3.702 1.00 0.00 H new ATOM 0 HG21 ILE A 17 5.131 -0.275 0.401 1.00 0.00 H new ATOM 0 HG22 ILE A 17 6.412 0.797 1.016 1.00 0.00 H new ATOM 0 HG23 ILE A 17 6.356 -0.907 1.527 1.00 0.00 H new ATOM 0 HD11 ILE A 17 2.180 -1.904 2.034 1.00 0.00 H new ATOM 0 HD12 ILE A 17 2.258 -0.217 1.471 1.00 0.00 H new ATOM 0 HD13 ILE A 17 3.386 -1.427 0.815 1.00 0.00 H new ATOM 282 N THR A 18 7.872 1.758 4.031 1.00 0.00 N ATOM 283 CA THR A 18 8.907 2.786 3.898 1.00 0.00 C ATOM 284 C THR A 18 9.578 2.691 2.517 1.00 0.00 C ATOM 285 O THR A 18 10.062 1.626 2.141 1.00 0.00 O ATOM 286 CB THR A 18 9.966 2.639 5.029 1.00 0.00 C ATOM 287 OG1 THR A 18 9.303 2.667 6.310 1.00 0.00 O ATOM 288 CG2 THR A 18 11.024 3.753 4.970 1.00 0.00 C ATOM 0 H THR A 18 8.154 0.960 4.600 1.00 0.00 H new ATOM 0 HA THR A 18 8.439 3.766 3.990 1.00 0.00 H new ATOM 0 HB THR A 18 10.479 1.687 4.890 1.00 0.00 H new ATOM 0 HG1 THR A 18 9.727 2.020 6.912 1.00 0.00 H new ATOM 0 HG21 THR A 18 11.744 3.614 5.776 1.00 0.00 H new ATOM 0 HG22 THR A 18 11.541 3.714 4.011 1.00 0.00 H new ATOM 0 HG23 THR A 18 10.538 4.722 5.081 1.00 0.00 H new ATOM 296 N LEU A 19 9.568 3.804 1.761 1.00 0.00 N ATOM 297 CA LEU A 19 10.219 3.878 0.440 1.00 0.00 C ATOM 298 C LEU A 19 11.692 4.281 0.581 1.00 0.00 C ATOM 299 O LEU A 19 12.120 4.782 1.627 1.00 0.00 O ATOM 300 CB LEU A 19 9.472 4.879 -0.483 1.00 0.00 C ATOM 301 CG LEU A 19 8.001 4.502 -0.842 1.00 0.00 C ATOM 302 CD1 LEU A 19 7.359 5.554 -1.777 1.00 0.00 C ATOM 303 CD2 LEU A 19 7.900 3.080 -1.452 1.00 0.00 C ATOM 0 H LEU A 19 9.112 4.671 2.046 1.00 0.00 H new ATOM 0 HA LEU A 19 10.175 2.888 -0.014 1.00 0.00 H new ATOM 0 HB2 LEU A 19 9.469 5.857 -0.001 1.00 0.00 H new ATOM 0 HB3 LEU A 19 10.037 4.982 -1.409 1.00 0.00 H new ATOM 0 HG LEU A 19 7.438 4.496 0.092 1.00 0.00 H new ATOM 0 HD11 LEU A 19 6.335 5.260 -2.007 1.00 0.00 H new ATOM 0 HD12 LEU A 19 7.355 6.526 -1.283 1.00 0.00 H new ATOM 0 HD13 LEU A 19 7.934 5.619 -2.701 1.00 0.00 H new ATOM 0 HD21 LEU A 19 6.859 2.858 -1.687 1.00 0.00 H new ATOM 0 HD22 LEU A 19 8.496 3.032 -2.363 1.00 0.00 H new ATOM 0 HD23 LEU A 19 8.274 2.349 -0.735 1.00 0.00 H new ATOM 315 N SER A 20 12.454 4.068 -0.499 1.00 0.00 N ATOM 316 CA SER A 20 13.887 4.385 -0.556 1.00 0.00 C ATOM 317 C SER A 20 14.135 5.901 -0.716 1.00 0.00 C ATOM 318 O SER A 20 15.241 6.381 -0.449 1.00 0.00 O ATOM 319 CB SER A 20 14.538 3.567 -1.701 1.00 0.00 C ATOM 320 OG SER A 20 13.758 3.615 -2.887 1.00 0.00 O ATOM 0 H SER A 20 12.091 3.668 -1.364 1.00 0.00 H new ATOM 0 HA SER A 20 14.352 4.105 0.389 1.00 0.00 H new ATOM 0 HB2 SER A 20 15.536 3.956 -1.905 1.00 0.00 H new ATOM 0 HB3 SER A 20 14.658 2.531 -1.386 1.00 0.00 H new ATOM 0 HG SER A 20 14.046 4.373 -3.437 1.00 0.00 H new ATOM 326 N GLU A 21 13.109 6.639 -1.186 1.00 0.00 N ATOM 327 CA GLU A 21 13.184 8.101 -1.374 1.00 0.00 C ATOM 328 C GLU A 21 12.577 8.811 -0.154 1.00 0.00 C ATOM 329 O GLU A 21 11.349 8.877 -0.013 1.00 0.00 O ATOM 330 CB GLU A 21 12.450 8.576 -2.670 1.00 0.00 C ATOM 331 CG GLU A 21 13.034 8.069 -4.010 1.00 0.00 C ATOM 332 CD GLU A 21 12.925 6.553 -4.205 1.00 0.00 C ATOM 333 OE1 GLU A 21 11.893 5.970 -3.815 1.00 0.00 O ATOM 334 OE2 GLU A 21 13.864 5.926 -4.741 1.00 0.00 O ATOM 0 H GLU A 21 12.207 6.239 -1.445 1.00 0.00 H new ATOM 0 HA GLU A 21 14.238 8.360 -1.480 1.00 0.00 H new ATOM 0 HB2 GLU A 21 11.408 8.261 -2.609 1.00 0.00 H new ATOM 0 HB3 GLU A 21 12.453 9.666 -2.685 1.00 0.00 H new ATOM 0 HG2 GLU A 21 12.519 8.568 -4.831 1.00 0.00 H new ATOM 0 HG3 GLU A 21 14.083 8.358 -4.069 1.00 0.00 H new ATOM 341 N SER A 22 13.451 9.311 0.734 1.00 0.00 N ATOM 342 CA SER A 22 13.058 10.127 1.884 1.00 0.00 C ATOM 343 C SER A 22 12.796 11.569 1.418 1.00 0.00 C ATOM 344 O SER A 22 13.743 12.267 1.045 1.00 0.00 O ATOM 345 CB SER A 22 14.158 10.071 2.974 1.00 0.00 C ATOM 346 OG SER A 22 13.772 10.756 4.162 1.00 0.00 O ATOM 0 H SER A 22 14.457 9.157 0.670 1.00 0.00 H new ATOM 0 HA SER A 22 12.140 9.736 2.322 1.00 0.00 H new ATOM 0 HB2 SER A 22 14.379 9.031 3.212 1.00 0.00 H new ATOM 0 HB3 SER A 22 15.076 10.511 2.585 1.00 0.00 H new ATOM 0 HG SER A 22 12.913 10.406 4.477 1.00 0.00 H new ATOM 352 N ARG A 23 11.495 11.969 1.395 1.00 0.00 N ATOM 353 CA ARG A 23 11.006 13.338 1.023 1.00 0.00 C ATOM 354 C ARG A 23 11.669 13.900 -0.274 1.00 0.00 C ATOM 355 O ARG A 23 12.042 13.105 -1.147 1.00 0.00 O ATOM 356 CB ARG A 23 11.074 14.320 2.245 1.00 0.00 C ATOM 357 CG ARG A 23 12.473 14.576 2.842 1.00 0.00 C ATOM 358 CD ARG A 23 12.460 15.536 4.048 1.00 0.00 C ATOM 359 NE ARG A 23 13.827 15.836 4.498 1.00 0.00 N ATOM 360 CZ ARG A 23 14.179 16.236 5.739 1.00 0.00 C ATOM 361 NH1 ARG A 23 13.267 16.396 6.685 1.00 0.00 N ATOM 362 NH2 ARG A 23 15.449 16.442 6.017 1.00 0.00 N ATOM 0 H ARG A 23 10.733 11.336 1.640 1.00 0.00 H new ATOM 0 HA ARG A 23 9.952 13.240 0.763 1.00 0.00 H new ATOM 0 HB2 ARG A 23 10.653 15.277 1.938 1.00 0.00 H new ATOM 0 HB3 ARG A 23 10.432 13.928 3.034 1.00 0.00 H new ATOM 0 HG2 ARG A 23 12.908 13.625 3.149 1.00 0.00 H new ATOM 0 HG3 ARG A 23 13.120 14.987 2.067 1.00 0.00 H new ATOM 0 HD2 ARG A 23 11.952 16.461 3.775 1.00 0.00 H new ATOM 0 HD3 ARG A 23 11.894 15.090 4.866 1.00 0.00 H new ATOM 0 HE ARG A 23 14.575 15.733 3.813 1.00 0.00 H new ATOM 0 HH11 ARG A 23 12.284 16.217 6.481 1.00 0.00 H new ATOM 0 HH12 ARG A 23 13.547 16.699 7.618 1.00 0.00 H new ATOM 0 HH21 ARG A 23 16.158 16.299 5.298 1.00 0.00 H new ATOM 0 HH22 ARG A 23 15.724 16.744 6.952 1.00 0.00 H new ATOM 376 N GLU A 24 11.729 15.255 -0.436 1.00 0.00 N ATOM 377 CA GLU A 24 12.370 15.933 -1.605 1.00 0.00 C ATOM 378 C GLU A 24 11.804 15.426 -2.954 1.00 0.00 C ATOM 379 O GLU A 24 12.537 15.260 -3.942 1.00 0.00 O ATOM 380 CB GLU A 24 13.940 15.844 -1.525 1.00 0.00 C ATOM 381 CG GLU A 24 14.623 16.981 -0.711 1.00 0.00 C ATOM 382 CD GLU A 24 14.221 17.042 0.779 1.00 0.00 C ATOM 383 OE1 GLU A 24 13.167 17.625 1.107 1.00 0.00 O ATOM 384 OE2 GLU A 24 14.965 16.523 1.640 1.00 0.00 O ATOM 0 H GLU A 24 11.334 15.908 0.241 1.00 0.00 H new ATOM 0 HA GLU A 24 12.113 16.991 -1.556 1.00 0.00 H new ATOM 0 HB2 GLU A 24 14.212 14.886 -1.082 1.00 0.00 H new ATOM 0 HB3 GLU A 24 14.341 15.852 -2.538 1.00 0.00 H new ATOM 0 HG2 GLU A 24 15.704 16.857 -0.776 1.00 0.00 H new ATOM 0 HG3 GLU A 24 14.383 17.937 -1.177 1.00 0.00 H new ATOM 391 N GLY A 25 10.477 15.233 -2.981 1.00 0.00 N ATOM 392 CA GLY A 25 9.774 14.704 -4.155 1.00 0.00 C ATOM 393 C GLY A 25 8.578 13.854 -3.761 1.00 0.00 C ATOM 394 O GLY A 25 7.573 13.804 -4.477 1.00 0.00 O ATOM 0 H GLY A 25 9.864 15.439 -2.192 1.00 0.00 H new ATOM 0 HA2 GLY A 25 9.441 15.531 -4.783 1.00 0.00 H new ATOM 0 HA3 GLY A 25 10.463 14.107 -4.753 1.00 0.00 H new ATOM 398 N MET A 26 8.697 13.170 -2.613 1.00 0.00 N ATOM 399 CA MET A 26 7.641 12.295 -2.073 1.00 0.00 C ATOM 400 C MET A 26 6.701 13.099 -1.141 1.00 0.00 C ATOM 401 O MET A 26 7.051 13.393 0.010 1.00 0.00 O ATOM 402 CB MET A 26 8.286 11.097 -1.331 1.00 0.00 C ATOM 403 CG MET A 26 9.023 10.103 -2.236 1.00 0.00 C ATOM 404 SD MET A 26 7.898 9.243 -3.363 1.00 0.00 S ATOM 405 CE MET A 26 9.003 8.110 -4.207 1.00 0.00 C ATOM 0 H MET A 26 9.532 13.207 -2.029 1.00 0.00 H new ATOM 0 HA MET A 26 7.038 11.905 -2.893 1.00 0.00 H new ATOM 0 HB2 MET A 26 8.987 11.481 -0.590 1.00 0.00 H new ATOM 0 HB3 MET A 26 7.507 10.563 -0.786 1.00 0.00 H new ATOM 0 HG2 MET A 26 9.780 10.633 -2.815 1.00 0.00 H new ATOM 0 HG3 MET A 26 9.547 9.372 -1.620 1.00 0.00 H new ATOM 0 HE1 MET A 26 8.452 7.571 -4.978 1.00 0.00 H new ATOM 0 HE2 MET A 26 9.817 8.670 -4.667 1.00 0.00 H new ATOM 0 HE3 MET A 26 9.413 7.399 -3.489 1.00 0.00 H new ATOM 415 N THR A 27 5.515 13.462 -1.673 1.00 0.00 N ATOM 416 CA THR A 27 4.504 14.289 -0.964 1.00 0.00 C ATOM 417 C THR A 27 3.675 13.428 0.028 1.00 0.00 C ATOM 418 O THR A 27 3.742 12.187 -0.007 1.00 0.00 O ATOM 419 CB THR A 27 3.552 14.966 -2.024 1.00 0.00 C ATOM 420 OG1 THR A 27 4.343 15.597 -3.044 1.00 0.00 O ATOM 421 CG2 THR A 27 2.591 16.025 -1.441 1.00 0.00 C ATOM 0 H THR A 27 5.226 13.190 -2.613 1.00 0.00 H new ATOM 0 HA THR A 27 5.019 15.058 -0.388 1.00 0.00 H new ATOM 0 HB THR A 27 2.935 14.159 -2.418 1.00 0.00 H new ATOM 0 HG1 THR A 27 3.752 16.016 -3.704 1.00 0.00 H new ATOM 0 HG21 THR A 27 1.975 16.437 -2.241 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.950 15.561 -0.692 1.00 0.00 H new ATOM 0 HG23 THR A 27 3.169 16.825 -0.979 1.00 0.00 H new ATOM 429 N SER A 28 2.918 14.102 0.927 1.00 0.00 N ATOM 430 CA SER A 28 1.915 13.465 1.801 1.00 0.00 C ATOM 431 C SER A 28 0.599 13.241 1.013 1.00 0.00 C ATOM 432 O SER A 28 -0.384 13.983 1.160 1.00 0.00 O ATOM 433 CB SER A 28 1.700 14.317 3.077 1.00 0.00 C ATOM 434 OG SER A 28 1.302 15.640 2.759 1.00 0.00 O ATOM 0 H SER A 28 2.990 15.110 1.064 1.00 0.00 H new ATOM 0 HA SER A 28 2.274 12.488 2.125 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.941 13.849 3.704 1.00 0.00 H new ATOM 0 HB3 SER A 28 2.622 14.343 3.658 1.00 0.00 H new ATOM 0 HG SER A 28 0.529 15.613 2.158 1.00 0.00 H new ATOM 440 N ASP A 29 0.633 12.238 0.125 1.00 0.00 N ATOM 441 CA ASP A 29 -0.501 11.833 -0.722 1.00 0.00 C ATOM 442 C ASP A 29 -1.390 10.817 0.021 1.00 0.00 C ATOM 443 O ASP A 29 -0.919 10.090 0.899 1.00 0.00 O ATOM 444 CB ASP A 29 0.028 11.195 -2.036 1.00 0.00 C ATOM 445 CG ASP A 29 1.081 12.057 -2.765 1.00 0.00 C ATOM 446 OD1 ASP A 29 0.719 13.109 -3.335 1.00 0.00 O ATOM 447 OD2 ASP A 29 2.272 11.678 -2.778 1.00 0.00 O ATOM 0 H ASP A 29 1.468 11.672 -0.029 1.00 0.00 H new ATOM 0 HA ASP A 29 -1.094 12.717 -0.957 1.00 0.00 H new ATOM 0 HB2 ASP A 29 0.463 10.222 -1.807 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -0.812 11.019 -2.708 1.00 0.00 H new ATOM 452 N THR A 30 -2.676 10.766 -0.350 1.00 0.00 N ATOM 453 CA THR A 30 -3.623 9.750 0.128 1.00 0.00 C ATOM 454 C THR A 30 -4.317 9.116 -1.094 1.00 0.00 C ATOM 455 O THR A 30 -5.188 9.718 -1.717 1.00 0.00 O ATOM 456 CB THR A 30 -4.655 10.340 1.163 1.00 0.00 C ATOM 457 OG1 THR A 30 -5.616 9.338 1.528 1.00 0.00 O ATOM 458 CG2 THR A 30 -5.388 11.603 0.667 1.00 0.00 C ATOM 0 H THR A 30 -3.092 11.436 -0.997 1.00 0.00 H new ATOM 0 HA THR A 30 -3.080 8.977 0.672 1.00 0.00 H new ATOM 0 HB THR A 30 -4.068 10.643 2.030 1.00 0.00 H new ATOM 0 HG1 THR A 30 -5.255 8.450 1.327 1.00 0.00 H new ATOM 0 HG21 THR A 30 -6.080 11.947 1.436 1.00 0.00 H new ATOM 0 HG22 THR A 30 -4.660 12.387 0.456 1.00 0.00 H new ATOM 0 HG23 THR A 30 -5.942 11.369 -0.242 1.00 0.00 H new ATOM 466 N TYR A 31 -3.858 7.918 -1.475 1.00 0.00 N ATOM 467 CA TYR A 31 -4.412 7.169 -2.614 1.00 0.00 C ATOM 468 C TYR A 31 -5.581 6.311 -2.108 1.00 0.00 C ATOM 469 O TYR A 31 -5.380 5.481 -1.233 1.00 0.00 O ATOM 470 CB TYR A 31 -3.308 6.280 -3.238 1.00 0.00 C ATOM 471 CG TYR A 31 -1.989 7.012 -3.557 1.00 0.00 C ATOM 472 CD1 TYR A 31 -1.934 8.042 -4.504 1.00 0.00 C ATOM 473 CD2 TYR A 31 -0.795 6.666 -2.916 1.00 0.00 C ATOM 474 CE1 TYR A 31 -0.742 8.684 -4.797 1.00 0.00 C ATOM 475 CE2 TYR A 31 0.392 7.306 -3.206 1.00 0.00 C ATOM 476 CZ TYR A 31 0.416 8.314 -4.144 1.00 0.00 C ATOM 477 OH TYR A 31 1.604 8.956 -4.425 1.00 0.00 O ATOM 0 H TYR A 31 -3.091 7.438 -1.003 1.00 0.00 H new ATOM 0 HA TYR A 31 -4.772 7.853 -3.382 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -3.094 5.458 -2.555 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -3.693 5.839 -4.157 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -2.837 8.341 -5.015 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -0.803 5.879 -2.176 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -0.719 9.472 -5.535 1.00 0.00 H new ATOM 0 HE2 TYR A 31 1.301 7.017 -2.699 1.00 0.00 H new ATOM 0 HH TYR A 31 2.320 8.573 -3.876 1.00 0.00 H new ATOM 487 N THR A 32 -6.799 6.519 -2.627 1.00 0.00 N ATOM 488 CA THR A 32 -8.000 5.809 -2.153 1.00 0.00 C ATOM 489 C THR A 32 -8.643 4.954 -3.260 1.00 0.00 C ATOM 490 O THR A 32 -8.684 3.722 -3.156 1.00 0.00 O ATOM 491 CB THR A 32 -9.055 6.820 -1.582 1.00 0.00 C ATOM 492 OG1 THR A 32 -9.435 7.773 -2.589 1.00 0.00 O ATOM 493 CG2 THR A 32 -8.519 7.574 -0.357 1.00 0.00 C ATOM 0 H THR A 32 -6.981 7.179 -3.383 1.00 0.00 H new ATOM 0 HA THR A 32 -7.677 5.138 -1.357 1.00 0.00 H new ATOM 0 HB THR A 32 -9.923 6.236 -1.277 1.00 0.00 H new ATOM 0 HG1 THR A 32 -8.633 8.111 -3.039 1.00 0.00 H new ATOM 0 HG21 THR A 32 -9.280 8.264 0.007 1.00 0.00 H new ATOM 0 HG22 THR A 32 -8.269 6.861 0.429 1.00 0.00 H new ATOM 0 HG23 THR A 32 -7.626 8.134 -0.636 1.00 0.00 H new ATOM 501 N LYS A 33 -9.106 5.605 -4.341 1.00 0.00 N ATOM 502 CA LYS A 33 -10.147 5.026 -5.232 1.00 0.00 C ATOM 503 C LYS A 33 -9.704 4.963 -6.699 1.00 0.00 C ATOM 504 O LYS A 33 -10.556 4.911 -7.596 1.00 0.00 O ATOM 505 CB LYS A 33 -11.432 5.890 -5.089 1.00 0.00 C ATOM 506 CG LYS A 33 -11.273 7.351 -5.588 1.00 0.00 C ATOM 507 CD LYS A 33 -12.468 8.276 -5.231 1.00 0.00 C ATOM 508 CE LYS A 33 -12.383 8.868 -3.806 1.00 0.00 C ATOM 509 NZ LYS A 33 -12.356 7.835 -2.737 1.00 0.00 N ATOM 0 H LYS A 33 -8.782 6.530 -4.625 1.00 0.00 H new ATOM 0 HA LYS A 33 -10.332 3.995 -4.929 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -12.240 5.414 -5.644 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -11.731 5.906 -4.041 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -10.362 7.772 -5.163 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -11.145 7.342 -6.670 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -12.515 9.091 -5.953 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -13.396 7.712 -5.327 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -11.486 9.483 -3.729 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -13.236 9.527 -3.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -12.749 8.233 -1.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -12.926 7.016 -3.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -11.375 7.533 -2.571 1.00 0.00 H new ATOM 523 N VAL A 34 -8.380 4.874 -6.918 1.00 0.00 N ATOM 524 CA VAL A 34 -7.749 5.092 -8.233 1.00 0.00 C ATOM 525 C VAL A 34 -8.048 6.552 -8.636 1.00 0.00 C ATOM 526 O VAL A 34 -9.043 6.866 -9.296 1.00 0.00 O ATOM 527 CB VAL A 34 -8.194 4.045 -9.334 1.00 0.00 C ATOM 528 CG1 VAL A 34 -7.563 4.347 -10.718 1.00 0.00 C ATOM 529 CG2 VAL A 34 -7.870 2.599 -8.872 1.00 0.00 C ATOM 0 H VAL A 34 -7.712 4.647 -6.181 1.00 0.00 H new ATOM 0 HA VAL A 34 -6.674 4.929 -8.156 1.00 0.00 H new ATOM 0 HB VAL A 34 -9.273 4.136 -9.455 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -7.897 3.602 -11.441 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -7.871 5.339 -11.050 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -6.476 4.313 -10.638 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -8.183 1.893 -9.641 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -6.797 2.502 -8.705 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -8.402 2.385 -7.945 1.00 0.00 H new ATOM 539 N ASP A 35 -7.203 7.425 -8.111 1.00 0.00 N ATOM 540 CA ASP A 35 -7.437 8.858 -8.007 1.00 0.00 C ATOM 541 C ASP A 35 -7.070 9.587 -9.311 1.00 0.00 C ATOM 542 O ASP A 35 -7.975 9.918 -10.091 1.00 0.00 O ATOM 543 CB ASP A 35 -6.653 9.382 -6.776 1.00 0.00 C ATOM 544 CG ASP A 35 -6.965 8.553 -5.505 1.00 0.00 C ATOM 545 OD1 ASP A 35 -6.448 7.418 -5.382 1.00 0.00 O ATOM 546 OD2 ASP A 35 -7.752 9.006 -4.650 1.00 0.00 O ATOM 0 H ASP A 35 -6.299 7.144 -7.730 1.00 0.00 H new ATOM 0 HA ASP A 35 -8.498 9.060 -7.860 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -5.583 9.344 -6.982 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -6.907 10.427 -6.600 1.00 0.00 H new ATOM 551 N ASP A 36 -5.761 9.807 -9.569 1.00 0.00 N ATOM 552 CA ASP A 36 -5.301 10.518 -10.787 1.00 0.00 C ATOM 553 C ASP A 36 -3.768 10.398 -10.964 1.00 0.00 C ATOM 554 O ASP A 36 -3.288 9.588 -11.769 1.00 0.00 O ATOM 555 CB ASP A 36 -5.725 12.017 -10.748 1.00 0.00 C ATOM 556 CG ASP A 36 -5.450 12.763 -12.068 1.00 0.00 C ATOM 557 OD1 ASP A 36 -6.294 12.695 -12.989 1.00 0.00 O ATOM 558 OD2 ASP A 36 -4.399 13.432 -12.192 1.00 0.00 O ATOM 0 H ASP A 36 -5.006 9.504 -8.954 1.00 0.00 H new ATOM 0 HA ASP A 36 -5.779 10.044 -11.644 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -6.788 12.081 -10.518 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -5.193 12.517 -9.939 1.00 0.00 H new ATOM 563 N SER A 37 -3.011 11.194 -10.173 1.00 0.00 N ATOM 564 CA SER A 37 -1.549 11.359 -10.320 1.00 0.00 C ATOM 565 C SER A 37 -0.796 10.306 -9.489 1.00 0.00 C ATOM 566 O SER A 37 -0.166 10.610 -8.463 1.00 0.00 O ATOM 567 CB SER A 37 -1.146 12.800 -9.916 1.00 0.00 C ATOM 568 OG SER A 37 -1.870 13.762 -10.665 1.00 0.00 O ATOM 0 H SER A 37 -3.403 11.744 -9.409 1.00 0.00 H new ATOM 0 HA SER A 37 -1.272 11.204 -11.363 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.332 12.948 -8.852 1.00 0.00 H new ATOM 0 HB3 SER A 37 -0.077 12.940 -10.075 1.00 0.00 H new ATOM 0 HG SER A 37 -2.592 13.318 -11.157 1.00 0.00 H new ATOM 574 N GLN A 38 -0.921 9.052 -9.933 1.00 0.00 N ATOM 575 CA GLN A 38 -0.267 7.897 -9.334 1.00 0.00 C ATOM 576 C GLN A 38 -0.030 6.819 -10.413 1.00 0.00 C ATOM 577 O GLN A 38 -0.751 6.782 -11.423 1.00 0.00 O ATOM 578 CB GLN A 38 -1.156 7.334 -8.201 1.00 0.00 C ATOM 579 CG GLN A 38 -2.571 6.906 -8.646 1.00 0.00 C ATOM 580 CD GLN A 38 -3.418 6.335 -7.517 1.00 0.00 C ATOM 581 OE1 GLN A 38 -4.622 6.446 -7.527 1.00 0.00 O ATOM 582 NE2 GLN A 38 -2.801 5.666 -6.575 1.00 0.00 N ATOM 0 H GLN A 38 -1.496 8.811 -10.740 1.00 0.00 H new ATOM 0 HA GLN A 38 0.695 8.195 -8.917 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -0.654 6.475 -7.756 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -1.248 8.089 -7.420 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -3.084 7.767 -9.074 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -2.484 6.161 -9.437 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -1.784 5.586 -6.588 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -3.337 5.225 -5.828 1.00 0.00 H new ATOM 591 N PRO A 39 0.994 5.938 -10.224 1.00 0.00 N ATOM 592 CA PRO A 39 1.180 4.740 -11.066 1.00 0.00 C ATOM 593 C PRO A 39 0.034 3.712 -10.884 1.00 0.00 C ATOM 594 O PRO A 39 -0.568 3.611 -9.796 1.00 0.00 O ATOM 595 CB PRO A 39 2.544 4.157 -10.583 1.00 0.00 C ATOM 596 CG PRO A 39 3.199 5.257 -9.804 1.00 0.00 C ATOM 597 CD PRO A 39 2.067 6.054 -9.204 1.00 0.00 C ATOM 0 HA PRO A 39 1.170 4.980 -12.129 1.00 0.00 H new ATOM 0 HB2 PRO A 39 2.395 3.273 -9.963 1.00 0.00 H new ATOM 0 HB3 PRO A 39 3.162 3.853 -11.428 1.00 0.00 H new ATOM 0 HG2 PRO A 39 3.850 4.855 -9.028 1.00 0.00 H new ATOM 0 HG3 PRO A 39 3.819 5.880 -10.449 1.00 0.00 H new ATOM 0 HD2 PRO A 39 1.754 5.648 -8.242 1.00 0.00 H new ATOM 0 HD3 PRO A 39 2.351 7.093 -9.034 1.00 0.00 H new ATOM 605 N ALA A 40 -0.233 2.942 -11.960 1.00 0.00 N ATOM 606 CA ALA A 40 -1.153 1.778 -11.936 1.00 0.00 C ATOM 607 C ALA A 40 -0.678 0.705 -10.931 1.00 0.00 C ATOM 608 O ALA A 40 -1.474 -0.100 -10.433 1.00 0.00 O ATOM 609 CB ALA A 40 -1.285 1.181 -13.343 1.00 0.00 C ATOM 0 H ALA A 40 0.184 3.109 -12.876 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.132 2.126 -11.607 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -1.962 0.327 -13.314 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -1.681 1.936 -14.023 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.306 0.855 -13.693 1.00 0.00 H new ATOM 615 N PHE A 41 0.635 0.737 -10.656 1.00 0.00 N ATOM 616 CA PHE A 41 1.305 -0.044 -9.601 1.00 0.00 C ATOM 617 C PHE A 41 0.525 0.052 -8.265 1.00 0.00 C ATOM 618 O PHE A 41 0.153 -0.962 -7.667 1.00 0.00 O ATOM 619 CB PHE A 41 2.747 0.511 -9.418 1.00 0.00 C ATOM 620 CG PHE A 41 3.716 0.245 -10.579 1.00 0.00 C ATOM 621 CD1 PHE A 41 3.563 0.885 -11.814 1.00 0.00 C ATOM 622 CD2 PHE A 41 4.791 -0.632 -10.431 1.00 0.00 C ATOM 623 CE1 PHE A 41 4.445 0.659 -12.851 1.00 0.00 C ATOM 624 CE2 PHE A 41 5.677 -0.852 -11.468 1.00 0.00 C ATOM 625 CZ PHE A 41 5.503 -0.211 -12.680 1.00 0.00 C ATOM 0 H PHE A 41 1.283 1.327 -11.179 1.00 0.00 H new ATOM 0 HA PHE A 41 1.339 -1.094 -9.893 1.00 0.00 H new ATOM 0 HB2 PHE A 41 2.685 1.588 -9.261 1.00 0.00 H new ATOM 0 HB3 PHE A 41 3.170 0.080 -8.510 1.00 0.00 H new ATOM 0 HD1 PHE A 41 2.739 1.569 -11.958 1.00 0.00 H new ATOM 0 HD2 PHE A 41 4.933 -1.146 -9.492 1.00 0.00 H new ATOM 0 HE1 PHE A 41 4.308 1.163 -13.796 1.00 0.00 H new ATOM 0 HE2 PHE A 41 6.509 -1.527 -11.331 1.00 0.00 H new ATOM 0 HZ PHE A 41 6.193 -0.390 -13.491 1.00 0.00 H new ATOM 635 N ILE A 42 0.232 1.300 -7.861 1.00 0.00 N ATOM 636 CA ILE A 42 -0.488 1.600 -6.610 1.00 0.00 C ATOM 637 C ILE A 42 -1.990 1.223 -6.739 1.00 0.00 C ATOM 638 O ILE A 42 -2.624 0.824 -5.755 1.00 0.00 O ATOM 639 CB ILE A 42 -0.318 3.126 -6.231 1.00 0.00 C ATOM 640 CG1 ILE A 42 1.196 3.518 -6.120 1.00 0.00 C ATOM 641 CG2 ILE A 42 -1.075 3.481 -4.924 1.00 0.00 C ATOM 642 CD1 ILE A 42 1.976 2.757 -5.055 1.00 0.00 C ATOM 0 H ILE A 42 0.488 2.131 -8.394 1.00 0.00 H new ATOM 0 HA ILE A 42 -0.059 0.999 -5.808 1.00 0.00 H new ATOM 0 HB ILE A 42 -0.762 3.709 -7.038 1.00 0.00 H new ATOM 0 HG12 ILE A 42 1.672 3.352 -7.087 1.00 0.00 H new ATOM 0 HG13 ILE A 42 1.266 4.585 -5.909 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -0.934 4.538 -4.697 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -2.138 3.276 -5.052 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.686 2.879 -4.103 1.00 0.00 H new ATOM 0 HD11 ILE A 42 3.012 3.095 -5.052 1.00 0.00 H new ATOM 0 HD12 ILE A 42 1.531 2.941 -4.077 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.943 1.690 -5.273 1.00 0.00 H new ATOM 654 N ASN A 43 -2.523 1.295 -7.977 1.00 0.00 N ATOM 655 CA ASN A 43 -3.955 1.070 -8.259 1.00 0.00 C ATOM 656 C ASN A 43 -4.363 -0.392 -8.026 1.00 0.00 C ATOM 657 O ASN A 43 -5.495 -0.652 -7.610 1.00 0.00 O ATOM 658 CB ASN A 43 -4.298 1.513 -9.701 1.00 0.00 C ATOM 659 CG ASN A 43 -4.194 3.033 -9.931 1.00 0.00 C ATOM 660 OD1 ASN A 43 -3.863 3.490 -11.021 1.00 0.00 O ATOM 661 ND2 ASN A 43 -4.501 3.830 -8.918 1.00 0.00 N ATOM 0 H ASN A 43 -1.972 1.511 -8.808 1.00 0.00 H new ATOM 0 HA ASN A 43 -4.527 1.679 -7.559 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -3.629 1.004 -10.395 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -5.311 1.188 -9.939 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -4.465 4.842 -9.036 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -4.774 3.431 -8.020 1.00 0.00 H new ATOM 668 N ASP A 44 -3.432 -1.332 -8.287 1.00 0.00 N ATOM 669 CA ASP A 44 -3.662 -2.770 -8.034 1.00 0.00 C ATOM 670 C ASP A 44 -3.974 -3.005 -6.545 1.00 0.00 C ATOM 671 O ASP A 44 -4.959 -3.668 -6.206 1.00 0.00 O ATOM 672 CB ASP A 44 -2.437 -3.619 -8.471 1.00 0.00 C ATOM 673 CG ASP A 44 -2.607 -5.135 -8.183 1.00 0.00 C ATOM 674 OD1 ASP A 44 -3.374 -5.816 -8.910 1.00 0.00 O ATOM 675 OD2 ASP A 44 -1.971 -5.661 -7.244 1.00 0.00 O ATOM 0 H ASP A 44 -2.512 -1.121 -8.674 1.00 0.00 H new ATOM 0 HA ASP A 44 -4.519 -3.086 -8.629 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -2.266 -3.476 -9.538 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -1.549 -3.255 -7.954 1.00 0.00 H new ATOM 680 N ILE A 45 -3.153 -2.388 -5.680 1.00 0.00 N ATOM 681 CA ILE A 45 -3.281 -2.511 -4.215 1.00 0.00 C ATOM 682 C ILE A 45 -4.598 -1.862 -3.727 1.00 0.00 C ATOM 683 O ILE A 45 -5.262 -2.392 -2.835 1.00 0.00 O ATOM 684 CB ILE A 45 -2.061 -1.854 -3.472 1.00 0.00 C ATOM 685 CG1 ILE A 45 -0.705 -2.319 -4.090 1.00 0.00 C ATOM 686 CG2 ILE A 45 -2.108 -2.153 -1.946 1.00 0.00 C ATOM 687 CD1 ILE A 45 0.529 -1.597 -3.552 1.00 0.00 C ATOM 0 H ILE A 45 -2.381 -1.789 -5.974 1.00 0.00 H new ATOM 0 HA ILE A 45 -3.294 -3.575 -3.978 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.135 -0.775 -3.606 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -0.589 -3.388 -3.912 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -0.748 -2.179 -5.170 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -1.253 -1.687 -1.457 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -3.030 -1.752 -1.525 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -2.075 -3.231 -1.785 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.421 -1.988 -4.041 1.00 0.00 H new ATOM 0 HD12 ILE A 45 0.443 -0.529 -3.754 1.00 0.00 H new ATOM 0 HD13 ILE A 45 0.604 -1.757 -2.477 1.00 0.00 H new ATOM 699 N LEU A 46 -4.962 -0.716 -4.342 1.00 0.00 N ATOM 700 CA LEU A 46 -6.206 0.027 -4.015 1.00 0.00 C ATOM 701 C LEU A 46 -7.458 -0.824 -4.266 1.00 0.00 C ATOM 702 O LEU A 46 -8.418 -0.785 -3.485 1.00 0.00 O ATOM 703 CB LEU A 46 -6.293 1.345 -4.841 1.00 0.00 C ATOM 704 CG LEU A 46 -5.261 2.446 -4.459 1.00 0.00 C ATOM 705 CD1 LEU A 46 -5.398 3.699 -5.351 1.00 0.00 C ATOM 706 CD2 LEU A 46 -5.385 2.811 -2.968 1.00 0.00 C ATOM 0 H LEU A 46 -4.406 -0.278 -5.077 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.166 0.270 -2.953 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -6.164 1.101 -5.896 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -7.296 1.757 -4.729 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.265 2.038 -4.633 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.659 4.442 -5.050 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -5.233 3.424 -6.393 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -6.399 4.117 -5.240 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.655 3.582 -2.720 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -6.389 3.184 -2.767 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.198 1.926 -2.360 1.00 0.00 H new ATOM 718 N LYS A 47 -7.429 -1.591 -5.363 1.00 0.00 N ATOM 719 CA LYS A 47 -8.571 -2.417 -5.800 1.00 0.00 C ATOM 720 C LYS A 47 -8.590 -3.799 -5.113 1.00 0.00 C ATOM 721 O LYS A 47 -9.435 -4.641 -5.450 1.00 0.00 O ATOM 722 CB LYS A 47 -8.566 -2.576 -7.339 1.00 0.00 C ATOM 723 CG LYS A 47 -8.687 -1.248 -8.120 1.00 0.00 C ATOM 724 CD LYS A 47 -8.914 -1.473 -9.632 1.00 0.00 C ATOM 725 CE LYS A 47 -10.270 -2.145 -9.923 1.00 0.00 C ATOM 726 NZ LYS A 47 -10.421 -2.520 -11.351 1.00 0.00 N ATOM 0 H LYS A 47 -6.616 -1.659 -5.975 1.00 0.00 H new ATOM 0 HA LYS A 47 -9.480 -1.896 -5.499 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -7.644 -3.076 -7.637 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -9.390 -3.229 -7.627 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -9.514 -0.665 -7.714 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -7.781 -0.660 -7.975 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -8.866 -0.516 -10.151 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -8.110 -2.093 -10.030 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -10.371 -3.036 -9.304 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -11.076 -1.468 -9.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -11.348 -2.968 -11.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -10.352 -1.668 -11.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -9.669 -3.188 -11.616 1.00 0.00 H new ATOM 740 N VAL A 48 -7.656 -4.041 -4.174 1.00 0.00 N ATOM 741 CA VAL A 48 -7.711 -5.226 -3.296 1.00 0.00 C ATOM 742 C VAL A 48 -8.734 -4.951 -2.184 1.00 0.00 C ATOM 743 O VAL A 48 -8.623 -3.934 -1.484 1.00 0.00 O ATOM 744 CB VAL A 48 -6.312 -5.580 -2.657 1.00 0.00 C ATOM 745 CG1 VAL A 48 -6.394 -6.856 -1.783 1.00 0.00 C ATOM 746 CG2 VAL A 48 -5.219 -5.717 -3.739 1.00 0.00 C ATOM 0 H VAL A 48 -6.855 -3.433 -4.004 1.00 0.00 H new ATOM 0 HA VAL A 48 -8.003 -6.084 -3.901 1.00 0.00 H new ATOM 0 HB VAL A 48 -6.033 -4.752 -2.006 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -5.413 -7.070 -1.359 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -7.111 -6.700 -0.977 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -6.715 -7.697 -2.397 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.268 -5.961 -3.266 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.493 -6.510 -4.434 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -5.124 -4.776 -4.281 1.00 0.00 H new ATOM 756 N GLU A 49 -9.740 -5.836 -2.065 1.00 0.00 N ATOM 757 CA GLU A 49 -10.821 -5.713 -1.069 1.00 0.00 C ATOM 758 C GLU A 49 -10.243 -5.545 0.356 1.00 0.00 C ATOM 759 O GLU A 49 -9.337 -6.289 0.761 1.00 0.00 O ATOM 760 CB GLU A 49 -11.773 -6.952 -1.127 1.00 0.00 C ATOM 761 CG GLU A 49 -12.709 -7.041 -2.364 1.00 0.00 C ATOM 762 CD GLU A 49 -11.981 -7.124 -3.718 1.00 0.00 C ATOM 763 OE1 GLU A 49 -11.192 -8.068 -3.911 1.00 0.00 O ATOM 764 OE2 GLU A 49 -12.182 -6.253 -4.587 1.00 0.00 O ATOM 0 H GLU A 49 -9.827 -6.660 -2.659 1.00 0.00 H new ATOM 0 HA GLU A 49 -11.399 -4.821 -1.312 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -11.163 -7.855 -1.093 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -12.391 -6.951 -0.229 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -13.348 -7.917 -2.256 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -13.363 -6.169 -2.371 1.00 0.00 H new ATOM 771 N GLY A 50 -10.741 -4.531 1.087 1.00 0.00 N ATOM 772 CA GLY A 50 -10.307 -4.263 2.459 1.00 0.00 C ATOM 773 C GLY A 50 -9.335 -3.091 2.576 1.00 0.00 C ATOM 774 O GLY A 50 -9.330 -2.392 3.598 1.00 0.00 O ATOM 0 H GLY A 50 -11.449 -3.883 0.742 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -11.183 -4.060 3.075 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -9.834 -5.158 2.863 1.00 0.00 H new ATOM 778 N VAL A 51 -8.490 -2.887 1.545 1.00 0.00 N ATOM 779 CA VAL A 51 -7.512 -1.770 1.510 1.00 0.00 C ATOM 780 C VAL A 51 -8.267 -0.429 1.430 1.00 0.00 C ATOM 781 O VAL A 51 -8.886 -0.120 0.405 1.00 0.00 O ATOM 782 CB VAL A 51 -6.501 -1.906 0.304 1.00 0.00 C ATOM 783 CG1 VAL A 51 -5.488 -0.729 0.254 1.00 0.00 C ATOM 784 CG2 VAL A 51 -5.757 -3.258 0.369 1.00 0.00 C ATOM 0 H VAL A 51 -8.462 -3.484 0.718 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.923 -1.807 2.427 1.00 0.00 H new ATOM 0 HB VAL A 51 -7.087 -1.868 -0.614 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -4.813 -0.865 -0.591 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -6.028 0.211 0.139 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -4.911 -0.706 1.179 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -5.065 -3.333 -0.470 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -5.201 -3.323 1.305 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -6.479 -4.073 0.318 1.00 0.00 H new ATOM 794 N LYS A 52 -8.229 0.334 2.533 1.00 0.00 N ATOM 795 CA LYS A 52 -8.993 1.579 2.682 1.00 0.00 C ATOM 796 C LYS A 52 -8.298 2.729 1.944 1.00 0.00 C ATOM 797 O LYS A 52 -8.906 3.385 1.079 1.00 0.00 O ATOM 798 CB LYS A 52 -9.174 1.902 4.186 1.00 0.00 C ATOM 799 CG LYS A 52 -9.973 3.191 4.478 1.00 0.00 C ATOM 800 CD LYS A 52 -10.305 3.369 5.979 1.00 0.00 C ATOM 801 CE LYS A 52 -11.247 2.275 6.502 1.00 0.00 C ATOM 802 NZ LYS A 52 -12.533 2.258 5.751 1.00 0.00 N ATOM 0 H LYS A 52 -7.664 0.102 3.350 1.00 0.00 H new ATOM 0 HA LYS A 52 -9.979 1.452 2.235 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -9.677 1.062 4.666 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -8.190 1.989 4.646 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -9.401 4.052 4.133 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -10.901 3.175 3.906 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -9.381 3.356 6.557 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -10.764 4.345 6.134 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -10.761 1.303 6.416 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -11.445 2.440 7.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -13.224 1.670 6.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -12.899 3.228 5.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -12.375 1.864 4.801 1.00 0.00 H new ATOM 816 N SER A 53 -7.021 2.959 2.280 1.00 0.00 N ATOM 817 CA SER A 53 -6.210 3.988 1.629 1.00 0.00 C ATOM 818 C SER A 53 -4.709 3.696 1.813 1.00 0.00 C ATOM 819 O SER A 53 -4.299 2.976 2.725 1.00 0.00 O ATOM 820 CB SER A 53 -6.576 5.389 2.178 1.00 0.00 C ATOM 821 OG SER A 53 -5.854 6.429 1.524 1.00 0.00 O ATOM 0 H SER A 53 -6.527 2.439 3.006 1.00 0.00 H new ATOM 0 HA SER A 53 -6.424 3.974 0.560 1.00 0.00 H new ATOM 0 HB2 SER A 53 -7.646 5.558 2.054 1.00 0.00 H new ATOM 0 HB3 SER A 53 -6.370 5.423 3.248 1.00 0.00 H new ATOM 0 HG SER A 53 -5.694 6.179 0.590 1.00 0.00 H new ATOM 827 N ILE A 54 -3.923 4.261 0.903 1.00 0.00 N ATOM 828 CA ILE A 54 -2.469 4.180 0.865 1.00 0.00 C ATOM 829 C ILE A 54 -1.946 5.607 1.108 1.00 0.00 C ATOM 830 O ILE A 54 -1.791 6.399 0.170 1.00 0.00 O ATOM 831 CB ILE A 54 -2.010 3.595 -0.535 1.00 0.00 C ATOM 832 CG1 ILE A 54 -2.535 2.138 -0.715 1.00 0.00 C ATOM 833 CG2 ILE A 54 -0.485 3.649 -0.741 1.00 0.00 C ATOM 834 CD1 ILE A 54 -2.160 1.488 -2.032 1.00 0.00 C ATOM 0 H ILE A 54 -4.302 4.815 0.135 1.00 0.00 H new ATOM 0 HA ILE A 54 -2.067 3.512 1.627 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.449 4.235 -1.300 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.151 1.525 0.100 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.621 2.144 -0.625 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.235 3.234 -1.717 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.147 4.684 -0.689 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.008 3.067 0.038 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.568 0.478 -2.068 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -2.568 2.074 -2.856 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.074 1.445 -2.120 1.00 0.00 H new ATOM 846 N PHE A 55 -1.782 5.959 2.399 1.00 0.00 N ATOM 847 CA PHE A 55 -1.377 7.314 2.806 1.00 0.00 C ATOM 848 C PHE A 55 0.152 7.442 2.743 1.00 0.00 C ATOM 849 O PHE A 55 0.857 7.162 3.701 1.00 0.00 O ATOM 850 CB PHE A 55 -1.910 7.639 4.230 1.00 0.00 C ATOM 851 CG PHE A 55 -1.644 9.076 4.685 1.00 0.00 C ATOM 852 CD1 PHE A 55 -2.247 10.150 4.036 1.00 0.00 C ATOM 853 CD2 PHE A 55 -0.787 9.355 5.750 1.00 0.00 C ATOM 854 CE1 PHE A 55 -2.005 11.452 4.431 1.00 0.00 C ATOM 855 CE2 PHE A 55 -0.547 10.657 6.147 1.00 0.00 C ATOM 856 CZ PHE A 55 -1.152 11.706 5.485 1.00 0.00 C ATOM 0 H PHE A 55 -1.925 5.318 3.179 1.00 0.00 H new ATOM 0 HA PHE A 55 -1.812 8.038 2.117 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -2.984 7.455 4.255 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -1.452 6.953 4.943 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -2.916 9.962 3.209 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -0.304 8.542 6.272 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -2.484 12.271 3.914 1.00 0.00 H new ATOM 0 HE2 PHE A 55 0.115 10.854 6.977 1.00 0.00 H new ATOM 0 HZ PHE A 55 -0.958 12.723 5.791 1.00 0.00 H new ATOM 866 N HIS A 56 0.639 7.869 1.587 1.00 0.00 N ATOM 867 CA HIS A 56 2.068 8.052 1.327 1.00 0.00 C ATOM 868 C HIS A 56 2.501 9.391 1.918 1.00 0.00 C ATOM 869 O HIS A 56 2.007 10.413 1.500 1.00 0.00 O ATOM 870 CB HIS A 56 2.289 8.000 -0.205 1.00 0.00 C ATOM 871 CG HIS A 56 3.639 8.458 -0.684 1.00 0.00 C ATOM 872 ND1 HIS A 56 3.785 9.394 -1.678 1.00 0.00 N ATOM 873 CD2 HIS A 56 4.895 8.104 -0.314 1.00 0.00 C ATOM 874 CE1 HIS A 56 5.056 9.597 -1.906 1.00 0.00 C ATOM 875 NE2 HIS A 56 5.759 8.827 -1.092 1.00 0.00 N ATOM 0 H HIS A 56 0.048 8.103 0.789 1.00 0.00 H new ATOM 0 HA HIS A 56 2.668 7.268 1.790 1.00 0.00 H new ATOM 0 HB2 HIS A 56 2.133 6.975 -0.542 1.00 0.00 H new ATOM 0 HB3 HIS A 56 1.526 8.613 -0.685 1.00 0.00 H new ATOM 0 HD1 HIS A 56 3.019 9.860 -2.164 1.00 0.00 H new ATOM 0 HD2 HIS A 56 5.163 7.388 0.449 1.00 0.00 H new ATOM 0 HE1 HIS A 56 5.464 10.279 -2.637 1.00 0.00 H new ATOM 884 N VAL A 57 3.413 9.383 2.898 1.00 0.00 N ATOM 885 CA VAL A 57 3.821 10.611 3.613 1.00 0.00 C ATOM 886 C VAL A 57 5.337 10.597 3.891 1.00 0.00 C ATOM 887 O VAL A 57 5.864 9.639 4.467 1.00 0.00 O ATOM 888 CB VAL A 57 2.976 10.807 4.935 1.00 0.00 C ATOM 889 CG1 VAL A 57 2.933 9.525 5.787 1.00 0.00 C ATOM 890 CG2 VAL A 57 3.466 12.018 5.760 1.00 0.00 C ATOM 0 H VAL A 57 3.887 8.539 3.219 1.00 0.00 H new ATOM 0 HA VAL A 57 3.613 11.469 2.974 1.00 0.00 H new ATOM 0 HB VAL A 57 1.954 11.021 4.623 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.342 9.705 6.685 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.479 8.719 5.210 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.947 9.242 6.070 1.00 0.00 H new ATOM 0 HG21 VAL A 57 2.858 12.116 6.659 1.00 0.00 H new ATOM 0 HG22 VAL A 57 4.508 11.869 6.041 1.00 0.00 H new ATOM 0 HG23 VAL A 57 3.378 12.925 5.162 1.00 0.00 H new ATOM 900 N MET A 58 6.020 11.683 3.434 1.00 0.00 N ATOM 901 CA MET A 58 7.488 11.878 3.527 1.00 0.00 C ATOM 902 C MET A 58 8.234 10.789 2.719 1.00 0.00 C ATOM 903 O MET A 58 8.790 11.067 1.669 1.00 0.00 O ATOM 904 CB MET A 58 7.969 11.943 5.011 1.00 0.00 C ATOM 905 CG MET A 58 9.455 12.274 5.198 1.00 0.00 C ATOM 906 SD MET A 58 9.935 12.384 6.939 1.00 0.00 S ATOM 907 CE MET A 58 11.697 12.707 6.824 1.00 0.00 C ATOM 0 H MET A 58 5.549 12.465 2.980 1.00 0.00 H new ATOM 0 HA MET A 58 7.730 12.843 3.082 1.00 0.00 H new ATOM 0 HB2 MET A 58 7.377 12.692 5.536 1.00 0.00 H new ATOM 0 HB3 MET A 58 7.764 10.984 5.486 1.00 0.00 H new ATOM 0 HG2 MET A 58 10.057 11.509 4.707 1.00 0.00 H new ATOM 0 HG3 MET A 58 9.677 13.220 4.704 1.00 0.00 H new ATOM 0 HE1 MET A 58 12.204 12.273 7.686 1.00 0.00 H new ATOM 0 HE2 MET A 58 12.090 12.262 5.910 1.00 0.00 H new ATOM 0 HE3 MET A 58 11.869 13.783 6.806 1.00 0.00 H new ATOM 917 N ASP A 59 8.225 9.562 3.234 1.00 0.00 N ATOM 918 CA ASP A 59 8.743 8.356 2.553 1.00 0.00 C ATOM 919 C ASP A 59 7.939 7.124 2.981 1.00 0.00 C ATOM 920 O ASP A 59 7.720 6.198 2.187 1.00 0.00 O ATOM 921 CB ASP A 59 10.243 8.148 2.869 1.00 0.00 C ATOM 922 CG ASP A 59 10.601 8.207 4.369 1.00 0.00 C ATOM 923 OD1 ASP A 59 10.484 7.177 5.076 1.00 0.00 O ATOM 924 OD2 ASP A 59 11.015 9.287 4.852 1.00 0.00 O ATOM 0 H ASP A 59 7.849 9.363 4.161 1.00 0.00 H new ATOM 0 HA ASP A 59 8.635 8.496 1.477 1.00 0.00 H new ATOM 0 HB2 ASP A 59 10.553 7.181 2.473 1.00 0.00 H new ATOM 0 HB3 ASP A 59 10.820 8.908 2.342 1.00 0.00 H new ATOM 929 N PHE A 60 7.485 7.143 4.242 1.00 0.00 N ATOM 930 CA PHE A 60 6.802 6.013 4.862 1.00 0.00 C ATOM 931 C PHE A 60 5.324 6.066 4.474 1.00 0.00 C ATOM 932 O PHE A 60 4.688 7.118 4.564 1.00 0.00 O ATOM 933 CB PHE A 60 7.015 6.027 6.403 1.00 0.00 C ATOM 934 CG PHE A 60 6.413 7.225 7.153 1.00 0.00 C ATOM 935 CD1 PHE A 60 7.034 8.473 7.135 1.00 0.00 C ATOM 936 CD2 PHE A 60 5.214 7.104 7.852 1.00 0.00 C ATOM 937 CE1 PHE A 60 6.478 9.552 7.790 1.00 0.00 C ATOM 938 CE2 PHE A 60 4.653 8.184 8.504 1.00 0.00 C ATOM 939 CZ PHE A 60 5.283 9.410 8.472 1.00 0.00 C ATOM 0 H PHE A 60 7.585 7.949 4.858 1.00 0.00 H new ATOM 0 HA PHE A 60 7.218 5.071 4.503 1.00 0.00 H new ATOM 0 HB2 PHE A 60 6.590 5.113 6.817 1.00 0.00 H new ATOM 0 HB3 PHE A 60 8.086 5.999 6.602 1.00 0.00 H new ATOM 0 HD1 PHE A 60 7.964 8.597 6.600 1.00 0.00 H new ATOM 0 HD2 PHE A 60 4.714 6.147 7.884 1.00 0.00 H new ATOM 0 HE1 PHE A 60 6.977 10.510 7.770 1.00 0.00 H new ATOM 0 HE2 PHE A 60 3.722 8.069 9.039 1.00 0.00 H new ATOM 0 HZ PHE A 60 4.845 10.257 8.978 1.00 0.00 H new ATOM 949 N ILE A 61 4.793 4.954 3.983 1.00 0.00 N ATOM 950 CA ILE A 61 3.413 4.895 3.516 1.00 0.00 C ATOM 951 C ILE A 61 2.540 4.209 4.572 1.00 0.00 C ATOM 952 O ILE A 61 2.701 3.030 4.835 1.00 0.00 O ATOM 953 CB ILE A 61 3.279 4.134 2.149 1.00 0.00 C ATOM 954 CG1 ILE A 61 4.264 4.691 1.068 1.00 0.00 C ATOM 955 CG2 ILE A 61 1.829 4.224 1.649 1.00 0.00 C ATOM 956 CD1 ILE A 61 4.193 3.975 -0.279 1.00 0.00 C ATOM 0 H ILE A 61 5.301 4.074 3.897 1.00 0.00 H new ATOM 0 HA ILE A 61 3.078 5.920 3.356 1.00 0.00 H new ATOM 0 HB ILE A 61 3.545 3.090 2.318 1.00 0.00 H new ATOM 0 HG12 ILE A 61 4.055 5.750 0.914 1.00 0.00 H new ATOM 0 HG13 ILE A 61 5.282 4.620 1.450 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.738 3.695 0.700 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.162 3.771 2.383 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.557 5.270 1.509 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.908 4.425 -0.968 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.433 2.920 -0.144 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.187 4.068 -0.688 1.00 0.00 H new ATOM 968 N SER A 62 1.623 4.972 5.157 1.00 0.00 N ATOM 969 CA SER A 62 0.631 4.465 6.099 1.00 0.00 C ATOM 970 C SER A 62 -0.557 3.853 5.323 1.00 0.00 C ATOM 971 O SER A 62 -1.570 4.518 5.088 1.00 0.00 O ATOM 972 CB SER A 62 0.155 5.635 6.999 1.00 0.00 C ATOM 973 OG SER A 62 1.252 6.368 7.534 1.00 0.00 O ATOM 0 H SER A 62 1.547 5.975 4.988 1.00 0.00 H new ATOM 0 HA SER A 62 1.067 3.687 6.725 1.00 0.00 H new ATOM 0 HB2 SER A 62 -0.482 6.304 6.420 1.00 0.00 H new ATOM 0 HB3 SER A 62 -0.453 5.243 7.814 1.00 0.00 H new ATOM 0 HG SER A 62 0.915 7.098 8.094 1.00 0.00 H new ATOM 979 N VAL A 63 -0.400 2.593 4.875 1.00 0.00 N ATOM 980 CA VAL A 63 -1.467 1.890 4.147 1.00 0.00 C ATOM 981 C VAL A 63 -2.504 1.376 5.156 1.00 0.00 C ATOM 982 O VAL A 63 -2.343 0.305 5.751 1.00 0.00 O ATOM 983 CB VAL A 63 -0.925 0.707 3.257 1.00 0.00 C ATOM 984 CG1 VAL A 63 -2.067 0.032 2.455 1.00 0.00 C ATOM 985 CG2 VAL A 63 0.186 1.195 2.308 1.00 0.00 C ATOM 0 H VAL A 63 0.451 2.046 5.005 1.00 0.00 H new ATOM 0 HA VAL A 63 -1.928 2.600 3.460 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.501 -0.039 3.929 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.658 -0.779 1.852 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -2.810 -0.368 3.146 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -2.537 0.768 1.802 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.543 0.360 1.705 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -0.210 1.972 1.654 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.012 1.599 2.893 1.00 0.00 H new ATOM 995 N ASP A 64 -3.533 2.195 5.383 1.00 0.00 N ATOM 996 CA ASP A 64 -4.627 1.888 6.309 1.00 0.00 C ATOM 997 C ASP A 64 -5.666 0.994 5.625 1.00 0.00 C ATOM 998 O ASP A 64 -5.838 1.027 4.397 1.00 0.00 O ATOM 999 CB ASP A 64 -5.256 3.194 6.853 1.00 0.00 C ATOM 1000 CG ASP A 64 -5.722 4.151 5.746 1.00 0.00 C ATOM 1001 OD1 ASP A 64 -4.872 4.873 5.170 1.00 0.00 O ATOM 1002 OD2 ASP A 64 -6.929 4.205 5.456 1.00 0.00 O ATOM 0 H ASP A 64 -3.632 3.101 4.924 1.00 0.00 H new ATOM 0 HA ASP A 64 -4.230 1.337 7.162 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -6.106 2.943 7.488 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -4.528 3.705 7.483 1.00 0.00 H new ATOM 1007 N LYS A 65 -6.348 0.176 6.438 1.00 0.00 N ATOM 1008 CA LYS A 65 -7.291 -0.844 5.956 1.00 0.00 C ATOM 1009 C LYS A 65 -8.565 -0.859 6.818 1.00 0.00 C ATOM 1010 O LYS A 65 -8.734 -0.053 7.740 1.00 0.00 O ATOM 1011 CB LYS A 65 -6.621 -2.247 6.009 1.00 0.00 C ATOM 1012 CG LYS A 65 -6.216 -2.681 7.443 1.00 0.00 C ATOM 1013 CD LYS A 65 -6.072 -4.207 7.603 1.00 0.00 C ATOM 1014 CE LYS A 65 -5.915 -4.618 9.072 1.00 0.00 C ATOM 1015 NZ LYS A 65 -5.986 -6.079 9.268 1.00 0.00 N ATOM 0 H LYS A 65 -6.261 0.203 7.454 1.00 0.00 H new ATOM 0 HA LYS A 65 -7.563 -0.601 4.929 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -7.307 -2.985 5.594 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -5.735 -2.243 5.374 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -5.271 -2.205 7.705 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -6.963 -2.318 8.149 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -6.947 -4.700 7.180 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -5.207 -4.551 7.036 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -4.959 -4.252 9.447 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -6.694 -4.138 9.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -6.907 -6.330 9.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -5.876 -6.558 8.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -5.225 -6.381 9.910 1.00 0.00 H new ATOM 1029 N GLU A 66 -9.463 -1.788 6.469 1.00 0.00 N ATOM 1030 CA GLU A 66 -10.558 -2.245 7.331 1.00 0.00 C ATOM 1031 C GLU A 66 -10.001 -3.348 8.245 1.00 0.00 C ATOM 1032 O GLU A 66 -9.213 -4.174 7.784 1.00 0.00 O ATOM 1033 CB GLU A 66 -11.711 -2.783 6.456 1.00 0.00 C ATOM 1034 CG GLU A 66 -12.309 -1.732 5.503 1.00 0.00 C ATOM 1035 CD GLU A 66 -13.351 -2.315 4.538 1.00 0.00 C ATOM 1036 OE1 GLU A 66 -14.429 -2.742 5.001 1.00 0.00 O ATOM 1037 OE2 GLU A 66 -13.102 -2.358 3.316 1.00 0.00 O ATOM 0 H GLU A 66 -9.448 -2.252 5.561 1.00 0.00 H new ATOM 0 HA GLU A 66 -10.950 -1.428 7.937 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -11.347 -3.626 5.869 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -12.500 -3.163 7.105 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -12.771 -0.939 6.091 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -11.505 -1.274 4.926 1.00 0.00 H new ATOM 1044 N ASN A 67 -10.423 -3.362 9.519 1.00 0.00 N ATOM 1045 CA ASN A 67 -9.816 -4.212 10.582 1.00 0.00 C ATOM 1046 C ASN A 67 -9.751 -5.712 10.169 1.00 0.00 C ATOM 1047 O ASN A 67 -8.747 -6.392 10.422 1.00 0.00 O ATOM 1048 CB ASN A 67 -10.617 -4.043 11.911 1.00 0.00 C ATOM 1049 CG ASN A 67 -9.841 -4.347 13.220 1.00 0.00 C ATOM 1050 OD1 ASN A 67 -10.135 -3.758 14.264 1.00 0.00 O ATOM 1051 ND2 ASN A 67 -8.874 -5.266 13.209 1.00 0.00 N ATOM 0 H ASN A 67 -11.196 -2.786 9.852 1.00 0.00 H new ATOM 0 HA ASN A 67 -8.789 -3.879 10.731 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -10.986 -3.019 11.961 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -11.490 -4.695 11.871 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -8.371 -5.487 14.068 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -8.638 -5.748 12.341 1.00 0.00 H new ATOM 1058 N ASP A 68 -10.808 -6.180 9.483 1.00 0.00 N ATOM 1059 CA ASP A 68 -10.947 -7.591 9.047 1.00 0.00 C ATOM 1060 C ASP A 68 -9.934 -7.985 7.949 1.00 0.00 C ATOM 1061 O ASP A 68 -9.521 -9.147 7.884 1.00 0.00 O ATOM 1062 CB ASP A 68 -12.392 -7.857 8.546 1.00 0.00 C ATOM 1063 CG ASP A 68 -13.429 -7.881 9.680 1.00 0.00 C ATOM 1064 OD1 ASP A 68 -13.920 -6.812 10.082 1.00 0.00 O ATOM 1065 OD2 ASP A 68 -13.757 -8.978 10.183 1.00 0.00 O ATOM 0 H ASP A 68 -11.596 -5.592 9.212 1.00 0.00 H new ATOM 0 HA ASP A 68 -10.733 -8.210 9.919 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -12.668 -7.087 7.826 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -12.417 -8.810 8.018 1.00 0.00 H new ATOM 1070 N ALA A 69 -9.575 -7.017 7.079 1.00 0.00 N ATOM 1071 CA ALA A 69 -8.696 -7.243 5.904 1.00 0.00 C ATOM 1072 C ALA A 69 -7.337 -7.853 6.309 1.00 0.00 C ATOM 1073 O ALA A 69 -6.519 -7.191 6.944 1.00 0.00 O ATOM 1074 CB ALA A 69 -8.487 -5.926 5.128 1.00 0.00 C ATOM 0 H ALA A 69 -9.887 -6.050 7.170 1.00 0.00 H new ATOM 0 HA ALA A 69 -9.195 -7.963 5.255 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -7.840 -6.108 4.270 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -9.450 -5.550 4.783 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -8.022 -5.188 5.782 1.00 0.00 H new ATOM 1080 N ASN A 70 -7.103 -9.113 5.933 1.00 0.00 N ATOM 1081 CA ASN A 70 -5.874 -9.832 6.288 1.00 0.00 C ATOM 1082 C ASN A 70 -4.759 -9.457 5.306 1.00 0.00 C ATOM 1083 O ASN A 70 -4.930 -9.555 4.088 1.00 0.00 O ATOM 1084 CB ASN A 70 -6.124 -11.360 6.262 1.00 0.00 C ATOM 1085 CG ASN A 70 -7.203 -11.799 7.249 1.00 0.00 C ATOM 1086 OD1 ASN A 70 -8.391 -11.813 6.921 1.00 0.00 O ATOM 1087 ND2 ASN A 70 -6.805 -12.155 8.463 1.00 0.00 N ATOM 0 H ASN A 70 -7.757 -9.663 5.376 1.00 0.00 H new ATOM 0 HA ASN A 70 -5.570 -9.550 7.296 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -6.416 -11.659 5.255 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -5.194 -11.880 6.492 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -7.490 -12.452 9.158 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -5.814 -12.132 8.702 1.00 0.00 H new ATOM 1094 N TRP A 71 -3.619 -9.014 5.847 1.00 0.00 N ATOM 1095 CA TRP A 71 -2.452 -8.620 5.039 1.00 0.00 C ATOM 1096 C TRP A 71 -1.768 -9.831 4.381 1.00 0.00 C ATOM 1097 O TRP A 71 -0.969 -9.657 3.469 1.00 0.00 O ATOM 1098 CB TRP A 71 -1.435 -7.845 5.903 1.00 0.00 C ATOM 1099 CG TRP A 71 -1.929 -6.502 6.391 1.00 0.00 C ATOM 1100 CD1 TRP A 71 -2.283 -6.157 7.669 1.00 0.00 C ATOM 1101 CD2 TRP A 71 -2.117 -5.316 5.595 1.00 0.00 C ATOM 1102 NE1 TRP A 71 -2.657 -4.839 7.713 1.00 0.00 N ATOM 1103 CE2 TRP A 71 -2.567 -4.306 6.459 1.00 0.00 C ATOM 1104 CE3 TRP A 71 -1.940 -5.014 4.240 1.00 0.00 C ATOM 1105 CZ2 TRP A 71 -2.846 -3.017 6.019 1.00 0.00 C ATOM 1106 CZ3 TRP A 71 -2.213 -3.731 3.805 1.00 0.00 C ATOM 1107 CH2 TRP A 71 -2.663 -2.750 4.695 1.00 0.00 C ATOM 0 H TRP A 71 -3.476 -8.917 6.852 1.00 0.00 H new ATOM 0 HA TRP A 71 -2.817 -7.973 4.241 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -1.168 -8.456 6.765 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -0.524 -7.695 5.324 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -2.269 -6.825 8.517 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -2.955 -4.336 8.549 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -1.597 -5.769 3.548 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -3.195 -2.256 6.701 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -2.077 -3.482 2.763 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -2.870 -1.757 4.324 1.00 0.00 H new ATOM 1118 N GLU A 72 -2.105 -11.048 4.833 1.00 0.00 N ATOM 1119 CA GLU A 72 -1.540 -12.301 4.289 1.00 0.00 C ATOM 1120 C GLU A 72 -1.863 -12.464 2.787 1.00 0.00 C ATOM 1121 O GLU A 72 -1.102 -13.097 2.055 1.00 0.00 O ATOM 1122 CB GLU A 72 -2.080 -13.511 5.085 1.00 0.00 C ATOM 1123 CG GLU A 72 -3.610 -13.667 5.015 1.00 0.00 C ATOM 1124 CD GLU A 72 -4.148 -14.830 5.848 1.00 0.00 C ATOM 1125 OE1 GLU A 72 -4.282 -14.679 7.073 1.00 0.00 O ATOM 1126 OE2 GLU A 72 -4.438 -15.902 5.284 1.00 0.00 O ATOM 0 H GLU A 72 -2.777 -11.196 5.586 1.00 0.00 H new ATOM 0 HA GLU A 72 -0.456 -12.254 4.392 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -1.614 -14.421 4.707 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -1.782 -13.410 6.129 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -4.076 -12.742 5.355 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -3.905 -13.810 3.975 1.00 0.00 H new ATOM 1133 N THR A 73 -2.997 -11.881 2.350 1.00 0.00 N ATOM 1134 CA THR A 73 -3.464 -11.941 0.950 1.00 0.00 C ATOM 1135 C THR A 73 -3.043 -10.677 0.162 1.00 0.00 C ATOM 1136 O THR A 73 -2.652 -10.766 -1.011 1.00 0.00 O ATOM 1137 CB THR A 73 -5.012 -12.194 0.858 1.00 0.00 C ATOM 1138 OG1 THR A 73 -5.380 -12.429 -0.508 1.00 0.00 O ATOM 1139 CG2 THR A 73 -5.869 -11.043 1.422 1.00 0.00 C ATOM 0 H THR A 73 -3.618 -11.352 2.962 1.00 0.00 H new ATOM 0 HA THR A 73 -2.976 -12.796 0.483 1.00 0.00 H new ATOM 0 HB THR A 73 -5.215 -13.067 1.478 1.00 0.00 H new ATOM 0 HG1 THR A 73 -6.345 -12.588 -0.564 1.00 0.00 H new ATOM 0 HG21 THR A 73 -6.925 -11.293 1.322 1.00 0.00 H new ATOM 0 HG22 THR A 73 -5.629 -10.893 2.475 1.00 0.00 H new ATOM 0 HG23 THR A 73 -5.659 -10.128 0.868 1.00 0.00 H new ATOM 1147 N VAL A 74 -3.146 -9.501 0.823 1.00 0.00 N ATOM 1148 CA VAL A 74 -2.826 -8.182 0.227 1.00 0.00 C ATOM 1149 C VAL A 74 -1.316 -8.053 -0.100 1.00 0.00 C ATOM 1150 O VAL A 74 -0.943 -7.646 -1.204 1.00 0.00 O ATOM 1151 CB VAL A 74 -3.247 -6.997 1.187 1.00 0.00 C ATOM 1152 CG1 VAL A 74 -2.999 -5.619 0.521 1.00 0.00 C ATOM 1153 CG2 VAL A 74 -4.721 -7.129 1.651 1.00 0.00 C ATOM 0 H VAL A 74 -3.456 -9.440 1.793 1.00 0.00 H new ATOM 0 HA VAL A 74 -3.397 -8.115 -0.699 1.00 0.00 H new ATOM 0 HB VAL A 74 -2.616 -7.063 2.074 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.298 -4.825 1.205 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.940 -5.514 0.285 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -3.584 -5.547 -0.396 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.971 -6.296 2.308 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.379 -7.116 0.782 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -4.850 -8.068 2.189 1.00 0.00 H new ATOM 1163 N LEU A 75 -0.476 -8.435 0.879 1.00 0.00 N ATOM 1164 CA LEU A 75 0.998 -8.233 0.844 1.00 0.00 C ATOM 1165 C LEU A 75 1.678 -8.924 -0.387 1.00 0.00 C ATOM 1166 O LEU A 75 2.564 -8.308 -0.963 1.00 0.00 O ATOM 1167 CB LEU A 75 1.648 -8.672 2.207 1.00 0.00 C ATOM 1168 CG LEU A 75 3.048 -8.046 2.609 1.00 0.00 C ATOM 1169 CD1 LEU A 75 3.323 -8.228 4.125 1.00 0.00 C ATOM 1170 CD2 LEU A 75 4.231 -8.628 1.789 1.00 0.00 C ATOM 0 H LEU A 75 -0.797 -8.898 1.729 1.00 0.00 H new ATOM 0 HA LEU A 75 1.177 -7.166 0.714 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.940 -8.441 3.003 1.00 0.00 H new ATOM 0 HB3 LEU A 75 1.762 -9.756 2.187 1.00 0.00 H new ATOM 0 HG LEU A 75 2.981 -6.984 2.375 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.289 -7.790 4.375 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.540 -7.732 4.699 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.333 -9.291 4.368 1.00 0.00 H new ATOM 0 HD21 LEU A 75 5.161 -8.160 2.110 1.00 0.00 H new ATOM 0 HD22 LEU A 75 4.291 -9.704 1.951 1.00 0.00 H new ATOM 0 HD23 LEU A 75 4.072 -8.429 0.729 1.00 0.00 H new ATOM 1182 N PRO A 76 1.328 -10.214 -0.787 1.00 0.00 N ATOM 1183 CA PRO A 76 1.823 -10.829 -2.057 1.00 0.00 C ATOM 1184 C PRO A 76 1.721 -9.892 -3.284 1.00 0.00 C ATOM 1185 O PRO A 76 2.621 -9.868 -4.119 1.00 0.00 O ATOM 1186 CB PRO A 76 0.906 -12.063 -2.225 1.00 0.00 C ATOM 1187 CG PRO A 76 0.605 -12.485 -0.827 1.00 0.00 C ATOM 1188 CD PRO A 76 0.517 -11.199 -0.019 1.00 0.00 C ATOM 0 HA PRO A 76 2.886 -11.064 -2.001 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -0.004 -11.812 -2.770 1.00 0.00 H new ATOM 0 HB3 PRO A 76 1.404 -12.856 -2.783 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -0.330 -13.042 -0.779 1.00 0.00 H new ATOM 0 HG3 PRO A 76 1.386 -13.139 -0.439 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -0.516 -10.866 0.085 1.00 0.00 H new ATOM 0 HD3 PRO A 76 0.910 -11.336 0.988 1.00 0.00 H new ATOM 1196 N LYS A 77 0.611 -9.127 -3.368 1.00 0.00 N ATOM 1197 CA LYS A 77 0.391 -8.137 -4.451 1.00 0.00 C ATOM 1198 C LYS A 77 1.238 -6.872 -4.235 1.00 0.00 C ATOM 1199 O LYS A 77 1.792 -6.333 -5.191 1.00 0.00 O ATOM 1200 CB LYS A 77 -1.111 -7.763 -4.570 1.00 0.00 C ATOM 1201 CG LYS A 77 -1.966 -8.800 -5.331 1.00 0.00 C ATOM 1202 CD LYS A 77 -3.446 -8.354 -5.481 1.00 0.00 C ATOM 1203 CE LYS A 77 -4.157 -9.031 -6.661 1.00 0.00 C ATOM 1204 NZ LYS A 77 -3.538 -8.641 -7.957 1.00 0.00 N ATOM 0 H LYS A 77 -0.153 -9.175 -2.694 1.00 0.00 H new ATOM 0 HA LYS A 77 0.707 -8.603 -5.384 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -1.522 -7.635 -3.569 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -1.195 -6.800 -5.074 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -1.537 -8.965 -6.320 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -1.929 -9.754 -4.805 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -3.984 -8.581 -4.561 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -3.483 -7.273 -5.613 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -4.111 -10.114 -6.544 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -5.211 -8.755 -6.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -4.144 -8.958 -8.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -3.435 -7.607 -7.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -2.602 -9.086 -8.042 1.00 0.00 H new ATOM 1218 N VAL A 78 1.313 -6.412 -2.973 1.00 0.00 N ATOM 1219 CA VAL A 78 2.070 -5.199 -2.594 1.00 0.00 C ATOM 1220 C VAL A 78 3.551 -5.355 -2.947 1.00 0.00 C ATOM 1221 O VAL A 78 4.111 -4.544 -3.680 1.00 0.00 O ATOM 1222 CB VAL A 78 1.924 -4.882 -1.058 1.00 0.00 C ATOM 1223 CG1 VAL A 78 2.828 -3.703 -0.631 1.00 0.00 C ATOM 1224 CG2 VAL A 78 0.448 -4.624 -0.677 1.00 0.00 C ATOM 0 H VAL A 78 0.852 -6.868 -2.186 1.00 0.00 H new ATOM 0 HA VAL A 78 1.650 -4.366 -3.158 1.00 0.00 H new ATOM 0 HB VAL A 78 2.259 -5.763 -0.511 1.00 0.00 H new ATOM 0 HG11 VAL A 78 2.700 -3.514 0.435 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.870 -3.952 -0.833 1.00 0.00 H new ATOM 0 HG13 VAL A 78 2.552 -2.811 -1.193 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.380 -4.408 0.389 1.00 0.00 H new ATOM 0 HG22 VAL A 78 0.069 -3.774 -1.244 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -0.147 -5.508 -0.907 1.00 0.00 H new ATOM 1234 N GLU A 79 4.160 -6.425 -2.430 1.00 0.00 N ATOM 1235 CA GLU A 79 5.565 -6.745 -2.685 1.00 0.00 C ATOM 1236 C GLU A 79 5.795 -6.950 -4.200 1.00 0.00 C ATOM 1237 O GLU A 79 6.797 -6.488 -4.740 1.00 0.00 O ATOM 1238 CB GLU A 79 5.977 -8.007 -1.883 1.00 0.00 C ATOM 1239 CG GLU A 79 7.476 -8.355 -1.956 1.00 0.00 C ATOM 1240 CD GLU A 79 7.844 -9.626 -1.170 1.00 0.00 C ATOM 1241 OE1 GLU A 79 8.016 -9.548 0.064 1.00 0.00 O ATOM 1242 OE2 GLU A 79 7.945 -10.713 -1.781 1.00 0.00 O ATOM 0 H GLU A 79 3.690 -7.095 -1.821 1.00 0.00 H new ATOM 0 HA GLU A 79 6.188 -5.914 -2.355 1.00 0.00 H new ATOM 0 HB2 GLU A 79 5.702 -7.863 -0.838 1.00 0.00 H new ATOM 0 HB3 GLU A 79 5.402 -8.858 -2.250 1.00 0.00 H new ATOM 0 HG2 GLU A 79 7.761 -8.486 -3.000 1.00 0.00 H new ATOM 0 HG3 GLU A 79 8.056 -7.517 -1.570 1.00 0.00 H new ATOM 1249 N ALA A 80 4.817 -7.602 -4.875 1.00 0.00 N ATOM 1250 CA ALA A 80 4.852 -7.843 -6.338 1.00 0.00 C ATOM 1251 C ALA A 80 4.896 -6.524 -7.130 1.00 0.00 C ATOM 1252 O ALA A 80 5.498 -6.469 -8.188 1.00 0.00 O ATOM 1253 CB ALA A 80 3.651 -8.693 -6.790 1.00 0.00 C ATOM 0 H ALA A 80 3.983 -7.975 -4.421 1.00 0.00 H new ATOM 0 HA ALA A 80 5.768 -8.395 -6.549 1.00 0.00 H new ATOM 0 HB1 ALA A 80 3.703 -8.853 -7.867 1.00 0.00 H new ATOM 0 HB2 ALA A 80 3.673 -9.655 -6.278 1.00 0.00 H new ATOM 0 HB3 ALA A 80 2.725 -8.173 -6.545 1.00 0.00 H new ATOM 1259 N VAL A 81 4.245 -5.474 -6.601 1.00 0.00 N ATOM 1260 CA VAL A 81 4.234 -4.128 -7.220 1.00 0.00 C ATOM 1261 C VAL A 81 5.672 -3.576 -7.365 1.00 0.00 C ATOM 1262 O VAL A 81 6.064 -3.101 -8.439 1.00 0.00 O ATOM 1263 CB VAL A 81 3.306 -3.147 -6.394 1.00 0.00 C ATOM 1264 CG1 VAL A 81 3.608 -1.649 -6.648 1.00 0.00 C ATOM 1265 CG2 VAL A 81 1.813 -3.476 -6.659 1.00 0.00 C ATOM 0 H VAL A 81 3.711 -5.529 -5.734 1.00 0.00 H new ATOM 0 HA VAL A 81 3.818 -4.209 -8.224 1.00 0.00 H new ATOM 0 HB VAL A 81 3.529 -3.313 -5.340 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.935 -1.035 -6.049 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.639 -1.433 -6.369 1.00 0.00 H new ATOM 0 HG13 VAL A 81 3.463 -1.423 -7.704 1.00 0.00 H new ATOM 0 HG21 VAL A 81 1.183 -2.795 -6.086 1.00 0.00 H new ATOM 0 HG22 VAL A 81 1.598 -3.361 -7.721 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.607 -4.503 -6.356 1.00 0.00 H new ATOM 1275 N PHE A 82 6.445 -3.655 -6.280 1.00 0.00 N ATOM 1276 CA PHE A 82 7.869 -3.255 -6.281 1.00 0.00 C ATOM 1277 C PHE A 82 8.760 -4.292 -7.005 1.00 0.00 C ATOM 1278 O PHE A 82 9.766 -3.923 -7.619 1.00 0.00 O ATOM 1279 CB PHE A 82 8.329 -3.032 -4.821 1.00 0.00 C ATOM 1280 CG PHE A 82 7.374 -2.112 -4.069 1.00 0.00 C ATOM 1281 CD1 PHE A 82 7.342 -0.746 -4.334 1.00 0.00 C ATOM 1282 CD2 PHE A 82 6.464 -2.625 -3.153 1.00 0.00 C ATOM 1283 CE1 PHE A 82 6.425 0.073 -3.711 1.00 0.00 C ATOM 1284 CE2 PHE A 82 5.555 -1.805 -2.522 1.00 0.00 C ATOM 1285 CZ PHE A 82 5.537 -0.458 -2.800 1.00 0.00 C ATOM 0 H PHE A 82 6.112 -3.995 -5.378 1.00 0.00 H new ATOM 0 HA PHE A 82 7.974 -2.324 -6.838 1.00 0.00 H new ATOM 0 HB2 PHE A 82 8.392 -3.991 -4.308 1.00 0.00 H new ATOM 0 HB3 PHE A 82 9.330 -2.602 -4.816 1.00 0.00 H new ATOM 0 HD1 PHE A 82 8.044 -0.322 -5.037 1.00 0.00 H new ATOM 0 HD2 PHE A 82 6.470 -3.682 -2.933 1.00 0.00 H new ATOM 0 HE1 PHE A 82 6.402 1.129 -3.936 1.00 0.00 H new ATOM 0 HE2 PHE A 82 4.857 -2.219 -1.810 1.00 0.00 H new ATOM 0 HZ PHE A 82 4.826 0.185 -2.303 1.00 0.00 H new ATOM 1295 N GLU A 83 8.370 -5.580 -6.965 1.00 0.00 N ATOM 1296 CA GLU A 83 9.215 -6.690 -7.469 1.00 0.00 C ATOM 1297 C GLU A 83 8.694 -7.276 -8.800 1.00 0.00 C ATOM 1298 O GLU A 83 9.058 -8.403 -9.164 1.00 0.00 O ATOM 1299 CB GLU A 83 9.318 -7.808 -6.390 1.00 0.00 C ATOM 1300 CG GLU A 83 9.847 -7.358 -5.004 1.00 0.00 C ATOM 1301 CD GLU A 83 11.230 -6.670 -5.008 1.00 0.00 C ATOM 1302 OE1 GLU A 83 12.085 -6.960 -5.873 1.00 0.00 O ATOM 1303 OE2 GLU A 83 11.485 -5.848 -4.105 1.00 0.00 O ATOM 0 H GLU A 83 7.472 -5.883 -6.588 1.00 0.00 H new ATOM 0 HA GLU A 83 10.204 -6.279 -7.670 1.00 0.00 H new ATOM 0 HB2 GLU A 83 8.331 -8.250 -6.256 1.00 0.00 H new ATOM 0 HB3 GLU A 83 9.970 -8.595 -6.769 1.00 0.00 H new ATOM 0 HG2 GLU A 83 9.122 -6.674 -4.563 1.00 0.00 H new ATOM 0 HG3 GLU A 83 9.898 -8.231 -4.353 1.00 0.00 H new ATOM 1310 N LEU A 84 7.862 -6.509 -9.548 1.00 0.00 N ATOM 1311 CA LEU A 84 7.368 -6.941 -10.889 1.00 0.00 C ATOM 1312 C LEU A 84 8.376 -6.603 -11.992 1.00 0.00 C ATOM 1313 O LEU A 84 8.077 -6.807 -13.180 1.00 0.00 O ATOM 1314 CB LEU A 84 5.944 -6.364 -11.210 1.00 0.00 C ATOM 1315 CG LEU A 84 5.757 -4.803 -11.302 1.00 0.00 C ATOM 1316 CD1 LEU A 84 6.218 -4.217 -12.659 1.00 0.00 C ATOM 1317 CD2 LEU A 84 4.287 -4.410 -11.013 1.00 0.00 C ATOM 0 H LEU A 84 7.519 -5.595 -9.253 1.00 0.00 H new ATOM 0 HA LEU A 84 7.267 -8.026 -10.857 1.00 0.00 H new ATOM 0 HB2 LEU A 84 5.622 -6.791 -12.160 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.259 -6.733 -10.447 1.00 0.00 H new ATOM 0 HG LEU A 84 6.402 -4.369 -10.538 1.00 0.00 H new ATOM 0 HD11 LEU A 84 6.064 -3.138 -12.661 1.00 0.00 H new ATOM 0 HD12 LEU A 84 7.276 -4.433 -12.808 1.00 0.00 H new ATOM 0 HD13 LEU A 84 5.639 -4.667 -13.465 1.00 0.00 H new ATOM 0 HD21 LEU A 84 4.180 -3.327 -11.082 1.00 0.00 H new ATOM 0 HD22 LEU A 84 3.633 -4.887 -11.743 1.00 0.00 H new ATOM 0 HD23 LEU A 84 4.013 -4.739 -10.011 1.00 0.00 H new ATOM 1329 N GLU A 85 9.571 -6.101 -11.592 1.00 0.00 N ATOM 1330 CA GLU A 85 10.668 -5.769 -12.516 1.00 0.00 C ATOM 1331 C GLU A 85 10.983 -6.972 -13.428 1.00 0.00 C ATOM 1332 O GLU A 85 10.781 -8.124 -13.012 1.00 0.00 O ATOM 1333 CB GLU A 85 11.961 -5.313 -11.731 1.00 0.00 C ATOM 1334 CG GLU A 85 12.435 -3.872 -12.028 1.00 0.00 C ATOM 1335 CD GLU A 85 12.462 -3.563 -13.536 1.00 0.00 C ATOM 1336 OE1 GLU A 85 13.321 -4.125 -14.251 1.00 0.00 O ATOM 1337 OE2 GLU A 85 11.593 -2.802 -14.018 1.00 0.00 O ATOM 0 H GLU A 85 9.795 -5.917 -10.614 1.00 0.00 H new ATOM 0 HA GLU A 85 10.345 -4.934 -13.137 1.00 0.00 H new ATOM 0 HB2 GLU A 85 11.768 -5.402 -10.662 1.00 0.00 H new ATOM 0 HB3 GLU A 85 12.772 -6.002 -11.967 1.00 0.00 H new ATOM 0 HG2 GLU A 85 11.775 -3.164 -11.527 1.00 0.00 H new ATOM 0 HG3 GLU A 85 13.432 -3.727 -11.612 1.00 0.00 H new ATOM 1344 N HIS A 86 11.471 -6.674 -14.648 1.00 0.00 N ATOM 1345 CA HIS A 86 11.723 -7.671 -15.708 1.00 0.00 C ATOM 1346 C HIS A 86 12.534 -8.847 -15.144 1.00 0.00 C ATOM 1347 O HIS A 86 13.684 -8.671 -14.747 1.00 0.00 O ATOM 1348 CB HIS A 86 12.457 -7.009 -16.904 1.00 0.00 C ATOM 1349 CG HIS A 86 11.686 -5.877 -17.549 1.00 0.00 C ATOM 1350 ND1 HIS A 86 10.954 -6.023 -18.708 1.00 0.00 N ATOM 1351 CD2 HIS A 86 11.536 -4.577 -17.184 1.00 0.00 C ATOM 1352 CE1 HIS A 86 10.389 -4.874 -19.025 1.00 0.00 C ATOM 1353 NE2 HIS A 86 10.724 -3.981 -18.116 1.00 0.00 N ATOM 0 H HIS A 86 11.704 -5.722 -14.929 1.00 0.00 H new ATOM 0 HA HIS A 86 10.769 -8.057 -16.069 1.00 0.00 H new ATOM 0 HB2 HIS A 86 13.420 -6.630 -16.562 1.00 0.00 H new ATOM 0 HB3 HIS A 86 12.663 -7.770 -17.657 1.00 0.00 H new ATOM 0 HD2 HIS A 86 11.975 -4.101 -16.320 1.00 0.00 H new ATOM 0 HE1 HIS A 86 9.759 -4.696 -19.884 1.00 0.00 H new ATOM 0 HE2 HIS A 86 10.428 -3.005 -18.107 1.00 0.00 H new ATOM 1362 N HIS A 87 11.876 -10.015 -15.038 1.00 0.00 N ATOM 1363 CA HIS A 87 12.428 -11.202 -14.362 1.00 0.00 C ATOM 1364 C HIS A 87 13.727 -11.679 -15.028 1.00 0.00 C ATOM 1365 O HIS A 87 14.723 -11.931 -14.332 1.00 0.00 O ATOM 1366 CB HIS A 87 11.378 -12.347 -14.343 1.00 0.00 C ATOM 1367 CG HIS A 87 11.873 -13.637 -13.717 1.00 0.00 C ATOM 1368 ND1 HIS A 87 12.355 -14.695 -14.456 1.00 0.00 N ATOM 1369 CD2 HIS A 87 11.961 -14.029 -12.423 1.00 0.00 C ATOM 1370 CE1 HIS A 87 12.726 -15.666 -13.653 1.00 0.00 C ATOM 1371 NE2 HIS A 87 12.494 -15.297 -12.411 1.00 0.00 N ATOM 0 H HIS A 87 10.942 -10.162 -15.421 1.00 0.00 H new ATOM 0 HA HIS A 87 12.666 -10.920 -13.336 1.00 0.00 H new ATOM 0 HB2 HIS A 87 10.497 -12.007 -13.799 1.00 0.00 H new ATOM 0 HB3 HIS A 87 11.062 -12.551 -15.366 1.00 0.00 H new ATOM 0 HD2 HIS A 87 11.667 -13.452 -11.559 1.00 0.00 H new ATOM 0 HE1 HIS A 87 13.151 -16.610 -13.961 1.00 0.00 H new ATOM 0 HE2 HIS A 87 12.679 -15.857 -11.579 1.00 0.00 H new ATOM 1380 N HIS A 88 13.681 -11.795 -16.375 1.00 0.00 N ATOM 1381 CA HIS A 88 14.783 -12.320 -17.216 1.00 0.00 C ATOM 1382 C HIS A 88 15.034 -13.819 -16.954 1.00 0.00 C ATOM 1383 O HIS A 88 14.792 -14.331 -15.857 1.00 0.00 O ATOM 1384 CB HIS A 88 16.115 -11.521 -17.048 1.00 0.00 C ATOM 1385 CG HIS A 88 16.029 -10.056 -17.404 1.00 0.00 C ATOM 1386 ND1 HIS A 88 15.970 -9.603 -18.704 1.00 0.00 N ATOM 1387 CD2 HIS A 88 15.989 -8.949 -16.628 1.00 0.00 C ATOM 1388 CE1 HIS A 88 15.896 -8.286 -18.709 1.00 0.00 C ATOM 1389 NE2 HIS A 88 15.906 -7.866 -17.465 1.00 0.00 N ATOM 0 H HIS A 88 12.862 -11.522 -16.918 1.00 0.00 H new ATOM 0 HA HIS A 88 14.451 -12.190 -18.246 1.00 0.00 H new ATOM 0 HB2 HIS A 88 16.446 -11.609 -16.013 1.00 0.00 H new ATOM 0 HB3 HIS A 88 16.881 -11.986 -17.669 1.00 0.00 H new ATOM 0 HD2 HIS A 88 16.017 -8.923 -15.549 1.00 0.00 H new ATOM 0 HE1 HIS A 88 15.837 -7.660 -19.587 1.00 0.00 H new ATOM 0 HE2 HIS A 88 15.860 -6.891 -17.169 1.00 0.00 H new ATOM 1398 N HIS A 89 15.515 -14.527 -17.983 1.00 0.00 N ATOM 1399 CA HIS A 89 16.059 -15.892 -17.812 1.00 0.00 C ATOM 1400 C HIS A 89 17.500 -15.827 -17.284 1.00 0.00 C ATOM 1401 O HIS A 89 18.070 -16.842 -16.878 1.00 0.00 O ATOM 1402 CB HIS A 89 15.955 -16.704 -19.123 1.00 0.00 C ATOM 1403 CG HIS A 89 14.552 -17.166 -19.403 1.00 0.00 C ATOM 1404 ND1 HIS A 89 14.044 -18.338 -18.891 1.00 0.00 N ATOM 1405 CD2 HIS A 89 13.546 -16.597 -20.107 1.00 0.00 C ATOM 1406 CE1 HIS A 89 12.787 -18.470 -19.265 1.00 0.00 C ATOM 1407 NE2 HIS A 89 12.460 -17.426 -20.003 1.00 0.00 N ATOM 0 H HIS A 89 15.541 -14.184 -18.943 1.00 0.00 H new ATOM 0 HA HIS A 89 15.457 -16.418 -17.071 1.00 0.00 H new ATOM 0 HB2 HIS A 89 16.306 -16.092 -19.954 1.00 0.00 H new ATOM 0 HB3 HIS A 89 16.614 -17.570 -19.064 1.00 0.00 H new ATOM 0 HD2 HIS A 89 13.591 -15.664 -20.649 1.00 0.00 H new ATOM 0 HE1 HIS A 89 12.135 -19.293 -19.011 1.00 0.00 H new ATOM 0 HE2 HIS A 89 11.547 -17.263 -20.427 1.00 0.00 H new ATOM 1416 N HIS A 90 18.080 -14.607 -17.298 1.00 0.00 N ATOM 1417 CA HIS A 90 19.300 -14.277 -16.553 1.00 0.00 C ATOM 1418 C HIS A 90 18.922 -14.127 -15.067 1.00 0.00 C ATOM 1419 O HIS A 90 18.750 -13.015 -14.555 1.00 0.00 O ATOM 1420 CB HIS A 90 19.951 -12.984 -17.127 1.00 0.00 C ATOM 1421 CG HIS A 90 21.251 -12.589 -16.459 1.00 0.00 C ATOM 1422 ND1 HIS A 90 22.406 -13.329 -16.575 1.00 0.00 N ATOM 1423 CD2 HIS A 90 21.565 -11.536 -15.661 1.00 0.00 C ATOM 1424 CE1 HIS A 90 23.367 -12.759 -15.874 1.00 0.00 C ATOM 1425 NE2 HIS A 90 22.885 -11.669 -15.314 1.00 0.00 N ATOM 0 H HIS A 90 17.707 -13.823 -17.833 1.00 0.00 H new ATOM 0 HA HIS A 90 20.042 -15.069 -16.652 1.00 0.00 H new ATOM 0 HB2 HIS A 90 20.132 -13.125 -18.192 1.00 0.00 H new ATOM 0 HB3 HIS A 90 19.242 -12.161 -17.031 1.00 0.00 H new ATOM 0 HD2 HIS A 90 20.899 -10.742 -15.356 1.00 0.00 H new ATOM 0 HE1 HIS A 90 24.378 -13.125 -15.776 1.00 0.00 H new ATOM 0 HE2 HIS A 90 23.409 -11.027 -14.719 1.00 0.00 H new ATOM 1434 N HIS A 91 18.700 -15.281 -14.428 1.00 0.00 N ATOM 1435 CA HIS A 91 18.242 -15.383 -13.038 1.00 0.00 C ATOM 1436 C HIS A 91 18.420 -16.847 -12.575 1.00 0.00 C ATOM 1437 O HIS A 91 17.741 -17.735 -13.138 1.00 0.00 O ATOM 1438 CB HIS A 91 16.755 -14.938 -12.905 1.00 0.00 C ATOM 1439 CG HIS A 91 16.192 -15.105 -11.519 1.00 0.00 C ATOM 1440 ND1 HIS A 91 15.346 -16.135 -11.177 1.00 0.00 N ATOM 1441 CD2 HIS A 91 16.362 -14.371 -10.398 1.00 0.00 C ATOM 1442 CE1 HIS A 91 15.021 -16.034 -9.907 1.00 0.00 C ATOM 1443 NE2 HIS A 91 15.623 -14.968 -9.412 1.00 0.00 N ATOM 1444 OXT HIS A 91 19.247 -17.104 -11.680 1.00 0.00 O ATOM 0 H HIS A 91 18.837 -16.189 -14.872 1.00 0.00 H new ATOM 0 HA HIS A 91 18.833 -14.719 -12.407 1.00 0.00 H new ATOM 0 HB2 HIS A 91 16.671 -13.891 -13.197 1.00 0.00 H new ATOM 0 HB3 HIS A 91 16.149 -15.514 -13.605 1.00 0.00 H new ATOM 0 HD2 HIS A 91 16.966 -13.482 -10.298 1.00 0.00 H new ATOM 0 HE1 HIS A 91 14.374 -16.706 -9.363 1.00 0.00 H new ATOM 0 HE2 HIS A 91 15.549 -14.641 -8.449 1.00 0.00 H new TER 1453 HIS A 91