USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 628 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 7 HIS : no HD1:sc= 1.3 K(o=2.3,f=-7.8!) USER MOD Set 1.2: A 43 TYR OH : rot 180:sc= 0.961 USER MOD Single : A 1 MET CE :methyl -162:sc= -0.122 (180deg=-0.633) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= 0.0281 K(o=0.028,f=-0.5) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= 0 K(o=0,f=-2.2!) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0.13 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=-0.043) USER MOD Single : A 11 MET CE :methyl -165:sc= -0.0501 (180deg=-0.364) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot -68:sc= 0.392 USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.157 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 63:sc= 1.26 USER MOD Single : A 24 LYS NZ :NH3+ -166:sc= -0.0354 (180deg=-0.269) USER MOD Single : A 26 ASN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 28 THR OG1 : rot -170:sc= 0.804 USER MOD Single : A 29 GLN : amide:sc= 1.03 K(o=1,f=-0.63) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -154:sc= 1.81 (180deg=1.32) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 163:sc= -0.0329 (180deg=-0.36) USER MOD Single : A 42 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0134) USER MOD Single : A 44 HIS : no HD1:sc= -3.93! C(o=-3.9!,f=-5.4!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=-0.048) USER MOD Single : A 50 ASN : amide:sc= -0.749 K(o=-0.75,f=-7.5!) USER MOD Single : A 54 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0131) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 59 SER OG : rot 76:sc= 1.18 USER MOD Single : A 60 GLN : amide:sc= -0.722 X(o=-0.72,f=-0.75) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 167:sc= 1.6 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 143:sc=-0.00244 (180deg=-1.37) USER MOD Single : A 74 TYR OH : rot 180:sc= -0.0111 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.773 16.305 -2.118 1.00 0.00 N ATOM 2 CA MET A 1 5.201 16.602 -3.499 1.00 0.00 C ATOM 3 C MET A 1 4.307 15.889 -4.510 1.00 0.00 C ATOM 4 O MET A 1 3.502 16.520 -5.190 1.00 0.00 O ATOM 5 CB MET A 1 6.665 16.194 -3.701 1.00 0.00 C ATOM 6 CG MET A 1 7.203 16.492 -5.090 1.00 0.00 C ATOM 7 SD MET A 1 8.913 15.956 -5.294 1.00 0.00 S ATOM 8 CE MET A 1 9.743 16.984 -4.078 1.00 0.00 C ATOM 0 H1 MET A 1 5.395 16.800 -1.448 1.00 0.00 H new ATOM 0 H2 MET A 1 3.793 16.625 -1.982 1.00 0.00 H new ATOM 0 H3 MET A 1 4.829 15.280 -1.950 1.00 0.00 H new ATOM 0 HA MET A 1 5.110 17.676 -3.662 1.00 0.00 H new ATOM 0 HB2 MET A 1 7.281 16.712 -2.965 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.764 15.126 -3.505 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.578 15.996 -5.833 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.135 17.563 -5.281 1.00 0.00 H new ATOM 0 HE1 MET A 1 10.811 17.012 -4.293 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.338 17.995 -4.119 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.584 16.570 -3.082 1.00 0.00 H new ATOM 20 N GLY A 2 4.438 14.575 -4.595 1.00 0.00 N ATOM 21 CA GLY A 2 3.655 13.811 -5.538 1.00 0.00 C ATOM 22 C GLY A 2 3.928 12.331 -5.415 1.00 0.00 C ATOM 23 O GLY A 2 4.626 11.903 -4.490 1.00 0.00 O ATOM 0 H GLY A 2 5.077 14.022 -4.023 1.00 0.00 H new ATOM 0 HA2 GLY A 2 2.595 14.001 -5.371 1.00 0.00 H new ATOM 0 HA3 GLY A 2 3.882 14.141 -6.552 1.00 0.00 H new ATOM 27 N HIS A 3 3.389 11.550 -6.333 1.00 0.00 N ATOM 28 CA HIS A 3 3.588 10.108 -6.332 1.00 0.00 C ATOM 29 C HIS A 3 4.717 9.715 -7.270 1.00 0.00 C ATOM 30 O HIS A 3 4.718 10.085 -8.441 1.00 0.00 O ATOM 31 CB HIS A 3 2.306 9.375 -6.735 1.00 0.00 C ATOM 32 CG HIS A 3 1.256 9.317 -5.663 1.00 0.00 C ATOM 33 ND1 HIS A 3 1.138 8.256 -4.788 1.00 0.00 N ATOM 34 CD2 HIS A 3 0.271 10.181 -5.331 1.00 0.00 C ATOM 35 CE1 HIS A 3 0.124 8.475 -3.969 1.00 0.00 C ATOM 36 NE2 HIS A 3 -0.414 9.634 -4.277 1.00 0.00 N ATOM 0 H HIS A 3 2.805 11.892 -7.096 1.00 0.00 H new ATOM 0 HA HIS A 3 3.855 9.816 -5.316 1.00 0.00 H new ATOM 0 HB2 HIS A 3 1.884 9.864 -7.613 1.00 0.00 H new ATOM 0 HB3 HIS A 3 2.562 8.357 -7.030 1.00 0.00 H new ATOM 0 HD2 HIS A 3 0.062 11.127 -5.808 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -0.206 7.814 -3.181 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -1.213 10.059 -3.807 1.00 0.00 H new ATOM 44 N HIS A 4 5.668 8.939 -6.758 1.00 0.00 N ATOM 45 CA HIS A 4 6.828 8.514 -7.547 1.00 0.00 C ATOM 46 C HIS A 4 6.492 7.296 -8.408 1.00 0.00 C ATOM 47 O HIS A 4 7.285 6.875 -9.249 1.00 0.00 O ATOM 48 CB HIS A 4 8.048 8.225 -6.645 1.00 0.00 C ATOM 49 CG HIS A 4 7.903 7.025 -5.748 1.00 0.00 C ATOM 50 ND1 HIS A 4 7.136 7.023 -4.603 1.00 0.00 N ATOM 51 CD2 HIS A 4 8.452 5.792 -5.830 1.00 0.00 C ATOM 52 CE1 HIS A 4 7.222 5.837 -4.021 1.00 0.00 C ATOM 53 NE2 HIS A 4 8.014 5.077 -4.746 1.00 0.00 N ATOM 0 H HIS A 4 5.661 8.590 -5.800 1.00 0.00 H new ATOM 0 HA HIS A 4 7.091 9.338 -8.211 1.00 0.00 H new ATOM 0 HB2 HIS A 4 8.924 8.083 -7.278 1.00 0.00 H new ATOM 0 HB3 HIS A 4 8.240 9.102 -6.026 1.00 0.00 H new ATOM 0 HD2 HIS A 4 9.113 5.436 -6.606 1.00 0.00 H new ATOM 0 HE1 HIS A 4 6.727 5.544 -3.107 1.00 0.00 H new ATOM 0 HE2 HIS A 4 8.262 4.110 -4.535 1.00 0.00 H new ATOM 61 N HIS A 5 5.315 6.730 -8.178 1.00 0.00 N ATOM 62 CA HIS A 5 4.845 5.594 -8.970 1.00 0.00 C ATOM 63 C HIS A 5 4.060 6.083 -10.174 1.00 0.00 C ATOM 64 O HIS A 5 3.566 5.289 -10.975 1.00 0.00 O ATOM 65 CB HIS A 5 3.970 4.647 -8.141 1.00 0.00 C ATOM 66 CG HIS A 5 4.704 3.898 -7.063 1.00 0.00 C ATOM 67 ND1 HIS A 5 5.710 2.996 -7.330 1.00 0.00 N ATOM 68 CD2 HIS A 5 4.563 3.908 -5.715 1.00 0.00 C ATOM 69 CE1 HIS A 5 6.156 2.484 -6.197 1.00 0.00 C ATOM 70 NE2 HIS A 5 5.479 3.019 -5.203 1.00 0.00 N ATOM 0 H HIS A 5 4.667 7.036 -7.452 1.00 0.00 H new ATOM 0 HA HIS A 5 5.724 5.042 -9.302 1.00 0.00 H new ATOM 0 HB2 HIS A 5 3.167 5.224 -7.682 1.00 0.00 H new ATOM 0 HB3 HIS A 5 3.502 3.926 -8.811 1.00 0.00 H new ATOM 0 HD2 HIS A 5 3.862 4.503 -5.149 1.00 0.00 H new ATOM 0 HE1 HIS A 5 6.943 1.750 -6.102 1.00 0.00 H new ATOM 0 HE2 HIS A 5 5.612 2.808 -4.214 1.00 0.00 H new ATOM 78 N HIS A 6 3.941 7.391 -10.295 1.00 0.00 N ATOM 79 CA HIS A 6 3.206 7.996 -11.387 1.00 0.00 C ATOM 80 C HIS A 6 4.066 9.016 -12.114 1.00 0.00 C ATOM 81 O HIS A 6 5.062 9.494 -11.578 1.00 0.00 O ATOM 82 CB HIS A 6 1.933 8.668 -10.872 1.00 0.00 C ATOM 83 CG HIS A 6 0.924 7.719 -10.311 1.00 0.00 C ATOM 84 ND1 HIS A 6 0.866 7.376 -8.976 1.00 0.00 N ATOM 85 CD2 HIS A 6 -0.075 7.041 -10.911 1.00 0.00 C ATOM 86 CE1 HIS A 6 -0.129 6.529 -8.786 1.00 0.00 C ATOM 87 NE2 HIS A 6 -0.714 6.313 -9.942 1.00 0.00 N ATOM 0 H HIS A 6 4.349 8.061 -9.643 1.00 0.00 H new ATOM 0 HA HIS A 6 2.931 7.205 -12.085 1.00 0.00 H new ATOM 0 HB2 HIS A 6 2.203 9.391 -10.102 1.00 0.00 H new ATOM 0 HB3 HIS A 6 1.475 9.227 -11.688 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -0.325 7.067 -11.961 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -0.413 6.089 -7.842 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -1.516 5.701 -10.094 1.00 0.00 H new ATOM 95 N HIS A 7 3.673 9.342 -13.333 1.00 0.00 N ATOM 96 CA HIS A 7 4.386 10.308 -14.158 1.00 0.00 C ATOM 97 C HIS A 7 3.401 11.130 -14.949 1.00 0.00 C ATOM 98 O HIS A 7 2.237 10.752 -15.087 1.00 0.00 O ATOM 99 CB HIS A 7 5.346 9.607 -15.133 1.00 0.00 C ATOM 100 CG HIS A 7 6.505 8.921 -14.490 1.00 0.00 C ATOM 101 ND1 HIS A 7 6.539 7.561 -14.260 1.00 0.00 N ATOM 102 CD2 HIS A 7 7.682 9.408 -14.026 1.00 0.00 C ATOM 103 CE1 HIS A 7 7.686 7.245 -13.683 1.00 0.00 C ATOM 104 NE2 HIS A 7 8.393 8.346 -13.531 1.00 0.00 N ATOM 0 H HIS A 7 2.848 8.944 -13.782 1.00 0.00 H new ATOM 0 HA HIS A 7 4.966 10.950 -13.495 1.00 0.00 H new ATOM 0 HB2 HIS A 7 4.783 8.873 -15.710 1.00 0.00 H new ATOM 0 HB3 HIS A 7 5.726 10.345 -15.840 1.00 0.00 H new ATOM 0 HD2 HIS A 7 8.000 10.440 -14.043 1.00 0.00 H new ATOM 0 HE1 HIS A 7 7.991 6.252 -13.387 1.00 0.00 H new ATOM 0 HE2 HIS A 7 9.321 8.400 -13.112 1.00 0.00 H new ATOM 112 N HIS A 8 3.854 12.258 -15.454 1.00 0.00 N ATOM 113 CA HIS A 8 3.025 13.098 -16.295 1.00 0.00 C ATOM 114 C HIS A 8 3.114 12.588 -17.720 1.00 0.00 C ATOM 115 O HIS A 8 2.110 12.293 -18.348 1.00 0.00 O ATOM 116 CB HIS A 8 3.486 14.563 -16.239 1.00 0.00 C ATOM 117 CG HIS A 8 3.422 15.177 -14.876 1.00 0.00 C ATOM 118 ND1 HIS A 8 2.288 15.772 -14.368 1.00 0.00 N ATOM 119 CD2 HIS A 8 4.365 15.288 -13.911 1.00 0.00 C ATOM 120 CE1 HIS A 8 2.537 16.221 -13.150 1.00 0.00 C ATOM 121 NE2 HIS A 8 3.785 15.938 -12.852 1.00 0.00 N ATOM 0 H HIS A 8 4.796 12.616 -15.296 1.00 0.00 H new ATOM 0 HA HIS A 8 1.996 13.057 -15.938 1.00 0.00 H new ATOM 0 HB2 HIS A 8 4.511 14.623 -16.604 1.00 0.00 H new ATOM 0 HB3 HIS A 8 2.870 15.152 -16.919 1.00 0.00 H new ATOM 0 HD2 HIS A 8 5.383 14.932 -13.965 1.00 0.00 H new ATOM 0 HE1 HIS A 8 1.835 16.733 -12.509 1.00 0.00 H new ATOM 0 HE2 HIS A 8 4.249 16.166 -11.973 1.00 0.00 H new ATOM 129 N SER A 9 4.355 12.439 -18.188 1.00 0.00 N ATOM 130 CA SER A 9 4.675 11.966 -19.538 1.00 0.00 C ATOM 131 C SER A 9 3.877 12.692 -20.635 1.00 0.00 C ATOM 132 O SER A 9 4.186 13.837 -20.978 1.00 0.00 O ATOM 133 CB SER A 9 4.524 10.429 -19.643 1.00 0.00 C ATOM 134 OG SER A 9 3.225 9.993 -19.233 1.00 0.00 O ATOM 0 H SER A 9 5.182 12.648 -17.629 1.00 0.00 H new ATOM 0 HA SER A 9 5.722 12.215 -19.714 1.00 0.00 H new ATOM 0 HB2 SER A 9 4.705 10.116 -20.671 1.00 0.00 H new ATOM 0 HB3 SER A 9 5.281 9.946 -19.025 1.00 0.00 H new ATOM 0 HG SER A 9 3.166 9.018 -19.314 1.00 0.00 H new ATOM 140 N HIS A 10 2.840 12.024 -21.150 1.00 0.00 N ATOM 141 CA HIS A 10 2.008 12.539 -22.246 1.00 0.00 C ATOM 142 C HIS A 10 2.847 12.736 -23.502 1.00 0.00 C ATOM 143 O HIS A 10 3.981 12.245 -23.583 1.00 0.00 O ATOM 144 CB HIS A 10 1.294 13.849 -21.858 1.00 0.00 C ATOM 145 CG HIS A 10 0.406 13.723 -20.658 1.00 0.00 C ATOM 146 ND1 HIS A 10 -0.464 12.668 -20.471 1.00 0.00 N ATOM 147 CD2 HIS A 10 0.274 14.509 -19.567 1.00 0.00 C ATOM 148 CE1 HIS A 10 -1.088 12.813 -19.314 1.00 0.00 C ATOM 149 NE2 HIS A 10 -0.659 13.921 -18.748 1.00 0.00 N ATOM 0 H HIS A 10 2.551 11.104 -20.817 1.00 0.00 H new ATOM 0 HA HIS A 10 1.236 11.797 -22.450 1.00 0.00 H new ATOM 0 HB2 HIS A 10 2.043 14.616 -21.664 1.00 0.00 H new ATOM 0 HB3 HIS A 10 0.699 14.191 -22.704 1.00 0.00 H new ATOM 0 HD2 HIS A 10 0.804 15.430 -19.374 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -1.824 12.137 -18.904 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -0.969 14.284 -17.847 1.00 0.00 H new ATOM 157 N MET A 11 2.302 13.426 -24.484 1.00 0.00 N ATOM 158 CA MET A 11 3.032 13.678 -25.714 1.00 0.00 C ATOM 159 C MET A 11 3.970 14.856 -25.536 1.00 0.00 C ATOM 160 O MET A 11 3.594 15.869 -24.945 1.00 0.00 O ATOM 161 CB MET A 11 2.073 13.947 -26.880 1.00 0.00 C ATOM 162 CG MET A 11 1.163 12.778 -27.212 1.00 0.00 C ATOM 163 SD MET A 11 0.170 13.058 -28.698 1.00 0.00 S ATOM 164 CE MET A 11 -0.787 14.496 -28.219 1.00 0.00 C ATOM 0 H MET A 11 1.362 13.821 -24.457 1.00 0.00 H new ATOM 0 HA MET A 11 3.615 12.787 -25.947 1.00 0.00 H new ATOM 0 HB2 MET A 11 1.459 14.815 -26.640 1.00 0.00 H new ATOM 0 HB3 MET A 11 2.656 14.204 -27.765 1.00 0.00 H new ATOM 0 HG2 MET A 11 1.767 11.881 -27.349 1.00 0.00 H new ATOM 0 HG3 MET A 11 0.499 12.590 -26.368 1.00 0.00 H new ATOM 0 HE1 MET A 11 -1.620 14.625 -28.910 1.00 0.00 H new ATOM 0 HE2 MET A 11 -1.172 14.357 -27.209 1.00 0.00 H new ATOM 0 HE3 MET A 11 -0.152 15.381 -28.247 1.00 0.00 H new ATOM 174 N VAL A 12 5.181 14.732 -26.045 1.00 0.00 N ATOM 175 CA VAL A 12 6.148 15.806 -25.945 1.00 0.00 C ATOM 176 C VAL A 12 5.924 16.812 -27.066 1.00 0.00 C ATOM 177 O VAL A 12 5.927 16.463 -28.251 1.00 0.00 O ATOM 178 CB VAL A 12 7.604 15.286 -25.976 1.00 0.00 C ATOM 179 CG1 VAL A 12 7.931 14.560 -24.685 1.00 0.00 C ATOM 180 CG2 VAL A 12 7.842 14.372 -27.175 1.00 0.00 C ATOM 0 H VAL A 12 5.517 13.900 -26.530 1.00 0.00 H new ATOM 0 HA VAL A 12 6.000 16.293 -24.981 1.00 0.00 H new ATOM 0 HB VAL A 12 8.266 16.146 -26.075 1.00 0.00 H new ATOM 0 HG11 VAL A 12 8.959 14.199 -24.721 1.00 0.00 H new ATOM 0 HG12 VAL A 12 7.815 15.243 -23.844 1.00 0.00 H new ATOM 0 HG13 VAL A 12 7.254 13.715 -24.561 1.00 0.00 H new ATOM 0 HG21 VAL A 12 8.875 14.024 -27.168 1.00 0.00 H new ATOM 0 HG22 VAL A 12 7.170 13.516 -27.119 1.00 0.00 H new ATOM 0 HG23 VAL A 12 7.652 14.923 -28.096 1.00 0.00 H new ATOM 190 N LYS A 13 5.683 18.045 -26.693 1.00 0.00 N ATOM 191 CA LYS A 13 5.409 19.089 -27.658 1.00 0.00 C ATOM 192 C LYS A 13 6.448 20.180 -27.522 1.00 0.00 C ATOM 193 O LYS A 13 6.825 20.832 -28.499 1.00 0.00 O ATOM 194 CB LYS A 13 4.002 19.678 -27.432 1.00 0.00 C ATOM 195 CG LYS A 13 2.852 18.678 -27.604 1.00 0.00 C ATOM 196 CD LYS A 13 1.508 19.344 -27.330 1.00 0.00 C ATOM 197 CE LYS A 13 0.353 18.353 -27.402 1.00 0.00 C ATOM 198 NZ LYS A 13 -0.953 19.001 -27.092 1.00 0.00 N ATOM 0 H LYS A 13 5.670 18.355 -25.721 1.00 0.00 H new ATOM 0 HA LYS A 13 5.449 18.664 -28.661 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.955 20.095 -26.426 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.853 20.505 -28.127 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.863 18.275 -28.617 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.991 17.837 -26.925 1.00 0.00 H new ATOM 0 HD2 LYS A 13 1.527 19.807 -26.343 1.00 0.00 H new ATOM 0 HD3 LYS A 13 1.345 20.143 -28.053 1.00 0.00 H new ATOM 0 HE2 LYS A 13 0.313 17.913 -28.399 1.00 0.00 H new ATOM 0 HE3 LYS A 13 0.530 17.538 -26.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -1.714 18.294 -27.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -0.924 19.399 -26.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -1.134 19.763 -27.777 1.00 0.00 H new ATOM 212 N GLU A 14 6.923 20.353 -26.303 1.00 0.00 N ATOM 213 CA GLU A 14 7.898 21.365 -25.989 1.00 0.00 C ATOM 214 C GLU A 14 8.594 21.028 -24.667 1.00 0.00 C ATOM 215 O GLU A 14 8.330 21.646 -23.627 1.00 0.00 O ATOM 216 CB GLU A 14 7.207 22.721 -25.882 1.00 0.00 C ATOM 217 CG GLU A 14 8.137 23.866 -25.580 1.00 0.00 C ATOM 218 CD GLU A 14 7.388 25.153 -25.370 1.00 0.00 C ATOM 219 OE1 GLU A 14 6.840 25.348 -24.258 1.00 0.00 O ATOM 220 OE2 GLU A 14 7.318 25.969 -26.311 1.00 0.00 O ATOM 0 H GLU A 14 6.638 19.789 -25.502 1.00 0.00 H new ATOM 0 HA GLU A 14 8.646 21.403 -26.781 1.00 0.00 H new ATOM 0 HB2 GLU A 14 6.688 22.927 -26.818 1.00 0.00 H new ATOM 0 HB3 GLU A 14 6.448 22.669 -25.102 1.00 0.00 H new ATOM 0 HG2 GLU A 14 8.720 23.635 -24.689 1.00 0.00 H new ATOM 0 HG3 GLU A 14 8.844 23.987 -26.401 1.00 0.00 H new ATOM 227 N THR A 15 9.434 20.028 -24.693 1.00 0.00 N ATOM 228 CA THR A 15 10.144 19.640 -23.531 1.00 0.00 C ATOM 229 C THR A 15 11.486 20.350 -23.457 1.00 0.00 C ATOM 230 O THR A 15 12.381 20.127 -24.274 1.00 0.00 O ATOM 231 CB THR A 15 10.324 18.141 -23.506 1.00 0.00 C ATOM 232 OG1 THR A 15 9.036 17.508 -23.518 1.00 0.00 O ATOM 233 CG2 THR A 15 11.079 17.696 -22.289 1.00 0.00 C ATOM 0 H THR A 15 9.636 19.469 -25.522 1.00 0.00 H new ATOM 0 HA THR A 15 9.564 19.932 -22.656 1.00 0.00 H new ATOM 0 HB THR A 15 10.899 17.855 -24.387 1.00 0.00 H new ATOM 0 HG1 THR A 15 8.578 17.683 -22.670 1.00 0.00 H new ATOM 0 HG21 THR A 15 11.189 16.612 -22.305 1.00 0.00 H new ATOM 0 HG22 THR A 15 12.065 18.161 -22.282 1.00 0.00 H new ATOM 0 HG23 THR A 15 10.532 17.992 -21.393 1.00 0.00 H new ATOM 241 N THR A 16 11.596 21.215 -22.490 1.00 0.00 N ATOM 242 CA THR A 16 12.790 21.997 -22.285 1.00 0.00 C ATOM 243 C THR A 16 13.620 21.427 -21.147 1.00 0.00 C ATOM 244 O THR A 16 13.235 20.442 -20.535 1.00 0.00 O ATOM 245 CB THR A 16 12.460 23.508 -22.048 1.00 0.00 C ATOM 246 OG1 THR A 16 13.657 24.266 -21.793 1.00 0.00 O ATOM 247 CG2 THR A 16 11.478 23.681 -20.894 1.00 0.00 C ATOM 0 H THR A 16 10.856 21.402 -21.814 1.00 0.00 H new ATOM 0 HA THR A 16 13.383 21.939 -23.198 1.00 0.00 H new ATOM 0 HB THR A 16 11.996 23.887 -22.959 1.00 0.00 H new ATOM 0 HG1 THR A 16 13.424 25.207 -21.650 1.00 0.00 H new ATOM 0 HG21 THR A 16 11.267 24.741 -20.752 1.00 0.00 H new ATOM 0 HG22 THR A 16 10.552 23.154 -21.122 1.00 0.00 H new ATOM 0 HG23 THR A 16 11.913 23.272 -19.982 1.00 0.00 H new ATOM 255 N TYR A 17 14.743 22.065 -20.857 1.00 0.00 N ATOM 256 CA TYR A 17 15.647 21.622 -19.797 1.00 0.00 C ATOM 257 C TYR A 17 14.924 21.605 -18.472 1.00 0.00 C ATOM 258 O TYR A 17 15.151 20.736 -17.645 1.00 0.00 O ATOM 259 CB TYR A 17 16.870 22.547 -19.707 1.00 0.00 C ATOM 260 CG TYR A 17 17.778 22.506 -20.918 1.00 0.00 C ATOM 261 CD1 TYR A 17 18.691 21.471 -21.101 1.00 0.00 C ATOM 262 CD2 TYR A 17 17.735 23.511 -21.876 1.00 0.00 C ATOM 263 CE1 TYR A 17 19.526 21.441 -22.204 1.00 0.00 C ATOM 264 CE2 TYR A 17 18.568 23.488 -22.975 1.00 0.00 C ATOM 265 CZ TYR A 17 19.459 22.449 -23.134 1.00 0.00 C ATOM 266 OH TYR A 17 20.290 22.429 -24.229 1.00 0.00 O ATOM 0 H TYR A 17 15.057 22.903 -21.346 1.00 0.00 H new ATOM 0 HA TYR A 17 15.987 20.614 -20.035 1.00 0.00 H new ATOM 0 HB2 TYR A 17 16.526 23.571 -19.561 1.00 0.00 H new ATOM 0 HB3 TYR A 17 17.450 22.277 -18.824 1.00 0.00 H new ATOM 0 HD1 TYR A 17 18.749 20.678 -20.370 1.00 0.00 H new ATOM 0 HD2 TYR A 17 17.036 24.326 -21.758 1.00 0.00 H new ATOM 0 HE1 TYR A 17 20.227 20.629 -22.333 1.00 0.00 H new ATOM 0 HE2 TYR A 17 18.522 24.280 -23.707 1.00 0.00 H new ATOM 0 HH TYR A 17 20.113 23.214 -24.788 1.00 0.00 H new ATOM 276 N TYR A 18 14.036 22.556 -18.291 1.00 0.00 N ATOM 277 CA TYR A 18 13.273 22.651 -17.093 1.00 0.00 C ATOM 278 C TYR A 18 12.258 21.518 -17.043 1.00 0.00 C ATOM 279 O TYR A 18 11.963 20.982 -15.985 1.00 0.00 O ATOM 280 CB TYR A 18 12.593 24.011 -17.039 1.00 0.00 C ATOM 281 CG TYR A 18 13.546 25.184 -16.832 1.00 0.00 C ATOM 282 CD1 TYR A 18 14.547 25.479 -17.766 1.00 0.00 C ATOM 283 CD2 TYR A 18 13.432 26.006 -15.724 1.00 0.00 C ATOM 284 CE1 TYR A 18 15.397 26.554 -17.590 1.00 0.00 C ATOM 285 CE2 TYR A 18 14.282 27.083 -15.540 1.00 0.00 C ATOM 286 CZ TYR A 18 15.255 27.354 -16.477 1.00 0.00 C ATOM 287 OH TYR A 18 16.093 28.433 -16.289 1.00 0.00 O ATOM 0 H TYR A 18 13.831 23.281 -18.979 1.00 0.00 H new ATOM 0 HA TYR A 18 13.923 22.558 -16.223 1.00 0.00 H new ATOM 0 HB2 TYR A 18 12.042 24.165 -17.967 1.00 0.00 H new ATOM 0 HB3 TYR A 18 11.861 24.006 -16.231 1.00 0.00 H new ATOM 0 HD1 TYR A 18 14.657 24.854 -18.640 1.00 0.00 H new ATOM 0 HD2 TYR A 18 12.666 25.803 -14.990 1.00 0.00 H new ATOM 0 HE1 TYR A 18 16.166 26.765 -18.318 1.00 0.00 H new ATOM 0 HE2 TYR A 18 14.183 27.708 -14.665 1.00 0.00 H new ATOM 0 HH TYR A 18 15.967 29.076 -17.018 1.00 0.00 H new ATOM 297 N ASP A 19 11.732 21.159 -18.210 1.00 0.00 N ATOM 298 CA ASP A 19 10.779 20.060 -18.330 1.00 0.00 C ATOM 299 C ASP A 19 11.475 18.707 -18.082 1.00 0.00 C ATOM 300 O ASP A 19 10.946 17.841 -17.388 1.00 0.00 O ATOM 301 CB ASP A 19 10.103 20.086 -19.713 1.00 0.00 C ATOM 302 CG ASP A 19 8.864 19.199 -19.771 1.00 0.00 C ATOM 303 OD1 ASP A 19 8.119 19.150 -18.765 1.00 0.00 O ATOM 304 OD2 ASP A 19 8.611 18.575 -20.817 1.00 0.00 O ATOM 0 H ASP A 19 11.952 21.618 -19.094 1.00 0.00 H new ATOM 0 HA ASP A 19 10.007 20.185 -17.570 1.00 0.00 H new ATOM 0 HB2 ASP A 19 9.825 21.111 -19.959 1.00 0.00 H new ATOM 0 HB3 ASP A 19 10.816 19.759 -20.469 1.00 0.00 H new ATOM 309 N VAL A 20 12.670 18.556 -18.655 1.00 0.00 N ATOM 310 CA VAL A 20 13.505 17.357 -18.480 1.00 0.00 C ATOM 311 C VAL A 20 13.887 17.189 -17.018 1.00 0.00 C ATOM 312 O VAL A 20 13.845 16.092 -16.462 1.00 0.00 O ATOM 313 CB VAL A 20 14.807 17.482 -19.319 1.00 0.00 C ATOM 314 CG1 VAL A 20 15.707 16.277 -19.141 1.00 0.00 C ATOM 315 CG2 VAL A 20 14.478 17.688 -20.778 1.00 0.00 C ATOM 0 H VAL A 20 13.092 19.263 -19.257 1.00 0.00 H new ATOM 0 HA VAL A 20 12.930 16.493 -18.813 1.00 0.00 H new ATOM 0 HB VAL A 20 15.351 18.354 -18.955 1.00 0.00 H new ATOM 0 HG11 VAL A 20 16.607 16.403 -19.744 1.00 0.00 H new ATOM 0 HG12 VAL A 20 15.984 16.182 -18.091 1.00 0.00 H new ATOM 0 HG13 VAL A 20 15.179 15.378 -19.460 1.00 0.00 H new ATOM 0 HG21 VAL A 20 15.401 17.774 -21.351 1.00 0.00 H new ATOM 0 HG22 VAL A 20 13.901 16.839 -21.144 1.00 0.00 H new ATOM 0 HG23 VAL A 20 13.893 18.601 -20.894 1.00 0.00 H new ATOM 325 N LEU A 21 14.243 18.304 -16.405 1.00 0.00 N ATOM 326 CA LEU A 21 14.693 18.324 -15.014 1.00 0.00 C ATOM 327 C LEU A 21 13.491 18.364 -14.076 1.00 0.00 C ATOM 328 O LEU A 21 13.640 18.290 -12.860 1.00 0.00 O ATOM 329 CB LEU A 21 15.614 19.540 -14.780 1.00 0.00 C ATOM 330 CG LEU A 21 16.607 19.413 -13.622 1.00 0.00 C ATOM 331 CD1 LEU A 21 17.651 18.355 -13.931 1.00 0.00 C ATOM 332 CD2 LEU A 21 17.267 20.748 -13.320 1.00 0.00 C ATOM 0 H LEU A 21 14.230 19.221 -16.851 1.00 0.00 H new ATOM 0 HA LEU A 21 15.259 17.416 -14.805 1.00 0.00 H new ATOM 0 HB2 LEU A 21 16.175 19.728 -15.695 1.00 0.00 H new ATOM 0 HB3 LEU A 21 14.990 20.416 -14.603 1.00 0.00 H new ATOM 0 HG LEU A 21 16.055 19.104 -12.734 1.00 0.00 H new ATOM 0 HD11 LEU A 21 18.349 18.278 -13.097 1.00 0.00 H new ATOM 0 HD12 LEU A 21 17.161 17.394 -14.084 1.00 0.00 H new ATOM 0 HD13 LEU A 21 18.194 18.633 -14.834 1.00 0.00 H new ATOM 0 HD21 LEU A 21 17.967 20.629 -12.493 1.00 0.00 H new ATOM 0 HD22 LEU A 21 17.803 21.097 -14.203 1.00 0.00 H new ATOM 0 HD23 LEU A 21 16.504 21.477 -13.047 1.00 0.00 H new ATOM 344 N GLY A 22 12.300 18.475 -14.663 1.00 0.00 N ATOM 345 CA GLY A 22 11.071 18.466 -13.898 1.00 0.00 C ATOM 346 C GLY A 22 10.997 19.575 -12.873 1.00 0.00 C ATOM 347 O GLY A 22 10.502 19.371 -11.763 1.00 0.00 O ATOM 0 H GLY A 22 12.169 18.572 -15.670 1.00 0.00 H new ATOM 0 HA2 GLY A 22 10.226 18.554 -14.580 1.00 0.00 H new ATOM 0 HA3 GLY A 22 10.973 17.506 -13.392 1.00 0.00 H new ATOM 351 N VAL A 23 11.466 20.746 -13.236 1.00 0.00 N ATOM 352 CA VAL A 23 11.499 21.852 -12.316 1.00 0.00 C ATOM 353 C VAL A 23 10.741 23.043 -12.910 1.00 0.00 C ATOM 354 O VAL A 23 10.502 23.092 -14.118 1.00 0.00 O ATOM 355 CB VAL A 23 12.967 22.242 -11.993 1.00 0.00 C ATOM 356 CG1 VAL A 23 13.485 23.323 -12.924 1.00 0.00 C ATOM 357 CG2 VAL A 23 13.134 22.610 -10.522 1.00 0.00 C ATOM 0 H VAL A 23 11.830 20.955 -14.166 1.00 0.00 H new ATOM 0 HA VAL A 23 11.014 21.557 -11.386 1.00 0.00 H new ATOM 0 HB VAL A 23 13.586 21.363 -12.172 1.00 0.00 H new ATOM 0 HG11 VAL A 23 14.515 23.565 -12.663 1.00 0.00 H new ATOM 0 HG12 VAL A 23 13.446 22.966 -13.953 1.00 0.00 H new ATOM 0 HG13 VAL A 23 12.866 24.215 -12.826 1.00 0.00 H new ATOM 0 HG21 VAL A 23 14.173 22.878 -10.330 1.00 0.00 H new ATOM 0 HG22 VAL A 23 12.491 23.457 -10.284 1.00 0.00 H new ATOM 0 HG23 VAL A 23 12.858 21.758 -9.900 1.00 0.00 H new ATOM 367 N LYS A 24 10.347 23.981 -12.072 1.00 0.00 N ATOM 368 CA LYS A 24 9.615 25.142 -12.543 1.00 0.00 C ATOM 369 C LYS A 24 10.582 26.222 -13.020 1.00 0.00 C ATOM 370 O LYS A 24 11.735 26.264 -12.599 1.00 0.00 O ATOM 371 CB LYS A 24 8.696 25.688 -11.437 1.00 0.00 C ATOM 372 CG LYS A 24 7.598 24.717 -10.991 1.00 0.00 C ATOM 373 CD LYS A 24 6.640 24.371 -12.130 1.00 0.00 C ATOM 374 CE LYS A 24 5.584 23.370 -11.684 1.00 0.00 C ATOM 375 NZ LYS A 24 6.183 22.078 -11.273 1.00 0.00 N ATOM 0 H LYS A 24 10.520 23.964 -11.067 1.00 0.00 H new ATOM 0 HA LYS A 24 8.992 24.840 -13.385 1.00 0.00 H new ATOM 0 HB2 LYS A 24 9.305 25.951 -10.572 1.00 0.00 H new ATOM 0 HB3 LYS A 24 8.230 26.608 -11.790 1.00 0.00 H new ATOM 0 HG2 LYS A 24 8.055 23.803 -10.612 1.00 0.00 H new ATOM 0 HG3 LYS A 24 7.037 25.158 -10.167 1.00 0.00 H new ATOM 0 HD2 LYS A 24 6.154 25.279 -12.487 1.00 0.00 H new ATOM 0 HD3 LYS A 24 7.203 23.959 -12.968 1.00 0.00 H new ATOM 0 HE2 LYS A 24 5.017 23.788 -10.852 1.00 0.00 H new ATOM 0 HE3 LYS A 24 4.879 23.200 -12.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 5.438 21.356 -11.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 6.888 21.783 -11.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 6.644 22.188 -10.347 1.00 0.00 H new ATOM 389 N PRO A 25 10.119 27.116 -13.892 1.00 0.00 N ATOM 390 CA PRO A 25 10.938 28.210 -14.429 1.00 0.00 C ATOM 391 C PRO A 25 11.318 29.234 -13.356 1.00 0.00 C ATOM 392 O PRO A 25 12.158 30.099 -13.582 1.00 0.00 O ATOM 393 CB PRO A 25 10.044 28.849 -15.512 1.00 0.00 C ATOM 394 CG PRO A 25 8.925 27.883 -15.727 1.00 0.00 C ATOM 395 CD PRO A 25 8.760 27.142 -14.435 1.00 0.00 C ATOM 0 HA PRO A 25 11.889 27.848 -14.819 1.00 0.00 H new ATOM 0 HB2 PRO A 25 9.668 29.819 -15.188 1.00 0.00 H new ATOM 0 HB3 PRO A 25 10.602 29.015 -16.434 1.00 0.00 H new ATOM 0 HG2 PRO A 25 8.007 28.405 -15.997 1.00 0.00 H new ATOM 0 HG3 PRO A 25 9.154 27.197 -16.543 1.00 0.00 H new ATOM 0 HD2 PRO A 25 8.067 27.650 -13.764 1.00 0.00 H new ATOM 0 HD3 PRO A 25 8.370 26.137 -14.594 1.00 0.00 H new ATOM 403 N ASN A 26 10.698 29.124 -12.185 1.00 0.00 N ATOM 404 CA ASN A 26 10.955 30.047 -11.096 1.00 0.00 C ATOM 405 C ASN A 26 11.734 29.349 -9.998 1.00 0.00 C ATOM 406 O ASN A 26 11.875 29.867 -8.886 1.00 0.00 O ATOM 407 CB ASN A 26 9.649 30.617 -10.535 1.00 0.00 C ATOM 408 CG ASN A 26 8.936 31.556 -11.496 1.00 0.00 C ATOM 409 OD1 ASN A 26 9.554 32.181 -12.363 1.00 0.00 O ATOM 410 ND2 ASN A 26 7.628 31.668 -11.342 1.00 0.00 N ATOM 0 H ASN A 26 10.012 28.400 -11.970 1.00 0.00 H new ATOM 0 HA ASN A 26 11.546 30.876 -11.485 1.00 0.00 H new ATOM 0 HB2 ASN A 26 8.981 29.793 -10.281 1.00 0.00 H new ATOM 0 HB3 ASN A 26 9.863 31.151 -9.609 1.00 0.00 H new ATOM 0 HD21 ASN A 26 7.094 32.288 -11.951 1.00 0.00 H new ATOM 0 HD22 ASN A 26 7.153 31.135 -10.614 1.00 0.00 H new ATOM 417 N ALA A 27 12.228 28.155 -10.313 1.00 0.00 N ATOM 418 CA ALA A 27 12.984 27.368 -9.370 1.00 0.00 C ATOM 419 C ALA A 27 14.356 27.961 -9.130 1.00 0.00 C ATOM 420 O ALA A 27 14.951 28.568 -10.020 1.00 0.00 O ATOM 421 CB ALA A 27 13.096 25.954 -9.872 1.00 0.00 C ATOM 0 H ALA A 27 12.111 27.716 -11.226 1.00 0.00 H new ATOM 0 HA ALA A 27 12.458 27.371 -8.415 1.00 0.00 H new ATOM 0 HB1 ALA A 27 13.667 25.359 -9.159 1.00 0.00 H new ATOM 0 HB2 ALA A 27 12.099 25.528 -9.984 1.00 0.00 H new ATOM 0 HB3 ALA A 27 13.603 25.950 -10.837 1.00 0.00 H new ATOM 427 N THR A 28 14.842 27.776 -7.927 1.00 0.00 N ATOM 428 CA THR A 28 16.114 28.315 -7.511 1.00 0.00 C ATOM 429 C THR A 28 17.245 27.455 -7.946 1.00 0.00 C ATOM 430 O THR A 28 17.052 26.329 -8.383 1.00 0.00 O ATOM 431 CB THR A 28 16.166 28.431 -5.991 1.00 0.00 C ATOM 432 OG1 THR A 28 16.111 27.127 -5.401 1.00 0.00 O ATOM 433 CG2 THR A 28 14.999 29.210 -5.520 1.00 0.00 C ATOM 0 H THR A 28 14.362 27.242 -7.203 1.00 0.00 H new ATOM 0 HA THR A 28 16.211 29.296 -7.976 1.00 0.00 H new ATOM 0 HB THR A 28 17.093 28.927 -5.704 1.00 0.00 H new ATOM 0 HG1 THR A 28 15.986 27.211 -4.433 1.00 0.00 H new ATOM 0 HG21 THR A 28 15.033 29.295 -4.434 1.00 0.00 H new ATOM 0 HG22 THR A 28 15.023 30.206 -5.963 1.00 0.00 H new ATOM 0 HG23 THR A 28 14.080 28.704 -5.816 1.00 0.00 H new ATOM 441 N GLN A 29 18.427 27.995 -7.827 1.00 0.00 N ATOM 442 CA GLN A 29 19.628 27.250 -8.080 1.00 0.00 C ATOM 443 C GLN A 29 19.659 26.005 -7.195 1.00 0.00 C ATOM 444 O GLN A 29 20.108 24.938 -7.614 1.00 0.00 O ATOM 445 CB GLN A 29 20.849 28.121 -7.834 1.00 0.00 C ATOM 446 CG GLN A 29 22.165 27.442 -8.182 1.00 0.00 C ATOM 447 CD GLN A 29 23.361 28.332 -7.937 1.00 0.00 C ATOM 448 OE1 GLN A 29 23.351 29.166 -7.038 1.00 0.00 O ATOM 449 NE2 GLN A 29 24.399 28.151 -8.725 1.00 0.00 N ATOM 0 H GLN A 29 18.584 28.965 -7.552 1.00 0.00 H new ATOM 0 HA GLN A 29 19.643 26.935 -9.123 1.00 0.00 H new ATOM 0 HB2 GLN A 29 20.756 29.035 -8.420 1.00 0.00 H new ATOM 0 HB3 GLN A 29 20.869 28.416 -6.785 1.00 0.00 H new ATOM 0 HG2 GLN A 29 22.267 26.532 -7.591 1.00 0.00 H new ATOM 0 HG3 GLN A 29 22.149 27.142 -9.230 1.00 0.00 H new ATOM 0 HE21 GLN A 29 24.364 27.445 -9.461 1.00 0.00 H new ATOM 0 HE22 GLN A 29 25.239 28.716 -8.600 1.00 0.00 H new ATOM 458 N GLU A 30 19.160 26.155 -5.974 1.00 0.00 N ATOM 459 CA GLU A 30 19.076 25.046 -5.045 1.00 0.00 C ATOM 460 C GLU A 30 18.058 24.043 -5.554 1.00 0.00 C ATOM 461 O GLU A 30 18.287 22.836 -5.546 1.00 0.00 O ATOM 462 CB GLU A 30 18.622 25.535 -3.674 1.00 0.00 C ATOM 463 CG GLU A 30 18.624 24.447 -2.614 1.00 0.00 C ATOM 464 CD GLU A 30 17.948 24.877 -1.337 1.00 0.00 C ATOM 465 OE1 GLU A 30 16.704 24.735 -1.244 1.00 0.00 O ATOM 466 OE2 GLU A 30 18.640 25.347 -0.415 1.00 0.00 O ATOM 0 H GLU A 30 18.807 27.039 -5.608 1.00 0.00 H new ATOM 0 HA GLU A 30 20.061 24.587 -4.961 1.00 0.00 H new ATOM 0 HB2 GLU A 30 19.274 26.347 -3.352 1.00 0.00 H new ATOM 0 HB3 GLU A 30 17.617 25.948 -3.758 1.00 0.00 H new ATOM 0 HG2 GLU A 30 18.122 23.563 -3.006 1.00 0.00 H new ATOM 0 HG3 GLU A 30 19.653 24.159 -2.397 1.00 0.00 H new ATOM 473 N GLU A 31 16.934 24.570 -6.013 1.00 0.00 N ATOM 474 CA GLU A 31 15.844 23.782 -6.490 1.00 0.00 C ATOM 475 C GLU A 31 16.247 23.003 -7.732 1.00 0.00 C ATOM 476 O GLU A 31 15.880 21.839 -7.893 1.00 0.00 O ATOM 477 CB GLU A 31 14.666 24.706 -6.779 1.00 0.00 C ATOM 478 CG GLU A 31 13.392 23.973 -7.072 1.00 0.00 C ATOM 479 CD GLU A 31 12.853 23.263 -5.834 1.00 0.00 C ATOM 480 OE1 GLU A 31 13.042 23.788 -4.710 1.00 0.00 O ATOM 481 OE2 GLU A 31 12.257 22.181 -5.970 1.00 0.00 O ATOM 0 H GLU A 31 16.766 25.575 -6.059 1.00 0.00 H new ATOM 0 HA GLU A 31 15.555 23.054 -5.732 1.00 0.00 H new ATOM 0 HB2 GLU A 31 14.510 25.362 -5.923 1.00 0.00 H new ATOM 0 HB3 GLU A 31 14.913 25.343 -7.628 1.00 0.00 H new ATOM 0 HG2 GLU A 31 12.645 24.675 -7.443 1.00 0.00 H new ATOM 0 HG3 GLU A 31 13.565 23.244 -7.863 1.00 0.00 H new ATOM 488 N LEU A 32 17.014 23.649 -8.595 1.00 0.00 N ATOM 489 CA LEU A 32 17.516 23.024 -9.803 1.00 0.00 C ATOM 490 C LEU A 32 18.409 21.824 -9.459 1.00 0.00 C ATOM 491 O LEU A 32 18.284 20.752 -10.050 1.00 0.00 O ATOM 492 CB LEU A 32 18.291 24.041 -10.641 1.00 0.00 C ATOM 493 CG LEU A 32 17.456 24.969 -11.539 1.00 0.00 C ATOM 494 CD1 LEU A 32 16.019 25.050 -11.079 1.00 0.00 C ATOM 495 CD2 LEU A 32 18.041 26.361 -11.571 1.00 0.00 C ATOM 0 H LEU A 32 17.304 24.620 -8.476 1.00 0.00 H new ATOM 0 HA LEU A 32 16.667 22.665 -10.385 1.00 0.00 H new ATOM 0 HB2 LEU A 32 18.881 24.660 -9.966 1.00 0.00 H new ATOM 0 HB3 LEU A 32 18.994 23.498 -11.272 1.00 0.00 H new ATOM 0 HG LEU A 32 17.480 24.540 -12.541 1.00 0.00 H new ATOM 0 HD11 LEU A 32 15.463 25.715 -11.739 1.00 0.00 H new ATOM 0 HD12 LEU A 32 15.572 24.056 -11.105 1.00 0.00 H new ATOM 0 HD13 LEU A 32 15.984 25.437 -10.061 1.00 0.00 H new ATOM 0 HD21 LEU A 32 17.432 26.997 -12.213 1.00 0.00 H new ATOM 0 HD22 LEU A 32 18.056 26.773 -10.562 1.00 0.00 H new ATOM 0 HD23 LEU A 32 19.058 26.319 -11.961 1.00 0.00 H new ATOM 507 N LYS A 33 19.301 22.013 -8.479 1.00 0.00 N ATOM 508 CA LYS A 33 20.173 20.935 -8.024 1.00 0.00 C ATOM 509 C LYS A 33 19.367 19.814 -7.383 1.00 0.00 C ATOM 510 O LYS A 33 19.632 18.633 -7.613 1.00 0.00 O ATOM 511 CB LYS A 33 21.244 21.436 -7.051 1.00 0.00 C ATOM 512 CG LYS A 33 22.286 22.337 -7.686 1.00 0.00 C ATOM 513 CD LYS A 33 23.340 22.753 -6.676 1.00 0.00 C ATOM 514 CE LYS A 33 24.397 23.636 -7.308 1.00 0.00 C ATOM 515 NZ LYS A 33 25.463 24.001 -6.344 1.00 0.00 N ATOM 0 H LYS A 33 19.434 22.899 -7.991 1.00 0.00 H new ATOM 0 HA LYS A 33 20.680 20.545 -8.907 1.00 0.00 H new ATOM 0 HB2 LYS A 33 20.758 21.977 -6.239 1.00 0.00 H new ATOM 0 HB3 LYS A 33 21.745 20.577 -6.606 1.00 0.00 H new ATOM 0 HG2 LYS A 33 22.761 21.818 -8.518 1.00 0.00 H new ATOM 0 HG3 LYS A 33 21.803 23.223 -8.097 1.00 0.00 H new ATOM 0 HD2 LYS A 33 22.865 23.285 -5.852 1.00 0.00 H new ATOM 0 HD3 LYS A 33 23.811 21.865 -6.254 1.00 0.00 H new ATOM 0 HE2 LYS A 33 24.839 23.119 -8.160 1.00 0.00 H new ATOM 0 HE3 LYS A 33 23.930 24.543 -7.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 26.166 24.605 -6.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 25.045 24.517 -5.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 25.927 23.138 -5.996 1.00 0.00 H new ATOM 529 N LYS A 34 18.376 20.194 -6.586 1.00 0.00 N ATOM 530 CA LYS A 34 17.526 19.230 -5.906 1.00 0.00 C ATOM 531 C LYS A 34 16.759 18.368 -6.914 1.00 0.00 C ATOM 532 O LYS A 34 16.606 17.164 -6.710 1.00 0.00 O ATOM 533 CB LYS A 34 16.571 19.930 -4.926 1.00 0.00 C ATOM 534 CG LYS A 34 17.280 20.557 -3.726 1.00 0.00 C ATOM 535 CD LYS A 34 16.297 21.222 -2.764 1.00 0.00 C ATOM 536 CE LYS A 34 15.566 22.373 -3.432 1.00 0.00 C ATOM 537 NZ LYS A 34 14.771 23.170 -2.473 1.00 0.00 N ATOM 0 H LYS A 34 18.142 21.168 -6.395 1.00 0.00 H new ATOM 0 HA LYS A 34 18.167 18.567 -5.324 1.00 0.00 H new ATOM 0 HB2 LYS A 34 16.021 20.706 -5.459 1.00 0.00 H new ATOM 0 HB3 LYS A 34 15.837 19.208 -4.568 1.00 0.00 H new ATOM 0 HG2 LYS A 34 17.843 19.789 -3.196 1.00 0.00 H new ATOM 0 HG3 LYS A 34 18.001 21.296 -4.076 1.00 0.00 H new ATOM 0 HD2 LYS A 34 15.575 20.485 -2.411 1.00 0.00 H new ATOM 0 HD3 LYS A 34 16.833 21.588 -1.888 1.00 0.00 H new ATOM 0 HE2 LYS A 34 16.290 23.021 -3.926 1.00 0.00 H new ATOM 0 HE3 LYS A 34 14.908 21.981 -4.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 13.982 23.628 -2.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 14.395 22.546 -1.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 15.376 23.897 -2.040 1.00 0.00 H new ATOM 551 N ALA A 35 16.288 18.993 -8.005 1.00 0.00 N ATOM 552 CA ALA A 35 15.594 18.259 -9.073 1.00 0.00 C ATOM 553 C ALA A 35 16.525 17.227 -9.676 1.00 0.00 C ATOM 554 O ALA A 35 16.165 16.059 -9.822 1.00 0.00 O ATOM 555 CB ALA A 35 15.118 19.212 -10.171 1.00 0.00 C ATOM 0 H ALA A 35 16.374 19.996 -8.169 1.00 0.00 H new ATOM 0 HA ALA A 35 14.726 17.765 -8.637 1.00 0.00 H new ATOM 0 HB1 ALA A 35 14.608 18.645 -10.949 1.00 0.00 H new ATOM 0 HB2 ALA A 35 14.431 19.943 -9.745 1.00 0.00 H new ATOM 0 HB3 ALA A 35 15.976 19.728 -10.602 1.00 0.00 H new ATOM 561 N TYR A 36 17.739 17.661 -9.987 1.00 0.00 N ATOM 562 CA TYR A 36 18.739 16.794 -10.583 1.00 0.00 C ATOM 563 C TYR A 36 19.054 15.618 -9.704 1.00 0.00 C ATOM 564 O TYR A 36 19.057 14.500 -10.163 1.00 0.00 O ATOM 565 CB TYR A 36 20.033 17.556 -10.872 1.00 0.00 C ATOM 566 CG TYR A 36 21.194 16.653 -11.269 1.00 0.00 C ATOM 567 CD1 TYR A 36 21.276 16.110 -12.541 1.00 0.00 C ATOM 568 CD2 TYR A 36 22.207 16.343 -10.359 1.00 0.00 C ATOM 569 CE1 TYR A 36 22.326 15.282 -12.900 1.00 0.00 C ATOM 570 CE2 TYR A 36 23.259 15.520 -10.709 1.00 0.00 C ATOM 571 CZ TYR A 36 23.317 14.997 -11.980 1.00 0.00 C ATOM 572 OH TYR A 36 24.367 14.178 -12.337 1.00 0.00 O ATOM 0 H TYR A 36 18.054 18.619 -9.833 1.00 0.00 H new ATOM 0 HA TYR A 36 18.313 16.432 -11.519 1.00 0.00 H new ATOM 0 HB2 TYR A 36 19.852 18.274 -11.672 1.00 0.00 H new ATOM 0 HB3 TYR A 36 20.314 18.128 -9.988 1.00 0.00 H new ATOM 0 HD1 TYR A 36 20.507 16.337 -13.265 1.00 0.00 H new ATOM 0 HD2 TYR A 36 22.167 16.755 -9.362 1.00 0.00 H new ATOM 0 HE1 TYR A 36 22.370 14.861 -13.894 1.00 0.00 H new ATOM 0 HE2 TYR A 36 24.031 15.289 -9.990 1.00 0.00 H new ATOM 0 HH TYR A 36 24.977 14.079 -11.577 1.00 0.00 H new ATOM 582 N ARG A 37 19.307 15.874 -8.443 1.00 0.00 N ATOM 583 CA ARG A 37 19.678 14.835 -7.541 1.00 0.00 C ATOM 584 C ARG A 37 18.561 13.834 -7.366 1.00 0.00 C ATOM 585 O ARG A 37 18.805 12.641 -7.276 1.00 0.00 O ATOM 586 CB ARG A 37 20.102 15.420 -6.214 1.00 0.00 C ATOM 587 CG ARG A 37 21.420 16.163 -6.291 1.00 0.00 C ATOM 588 CD ARG A 37 21.866 16.669 -4.935 1.00 0.00 C ATOM 589 NE ARG A 37 23.151 17.361 -5.020 1.00 0.00 N ATOM 590 CZ ARG A 37 24.003 17.524 -4.004 1.00 0.00 C ATOM 591 NH1 ARG A 37 23.712 17.033 -2.797 1.00 0.00 N ATOM 592 NH2 ARG A 37 25.147 18.173 -4.200 1.00 0.00 N ATOM 0 H ARG A 37 19.259 16.803 -8.025 1.00 0.00 H new ATOM 0 HA ARG A 37 20.527 14.300 -7.967 1.00 0.00 H new ATOM 0 HB2 ARG A 37 19.328 16.100 -5.858 1.00 0.00 H new ATOM 0 HB3 ARG A 37 20.185 14.619 -5.479 1.00 0.00 H new ATOM 0 HG2 ARG A 37 22.185 15.503 -6.701 1.00 0.00 H new ATOM 0 HG3 ARG A 37 21.323 17.004 -6.978 1.00 0.00 H new ATOM 0 HD2 ARG A 37 21.113 17.346 -4.532 1.00 0.00 H new ATOM 0 HD3 ARG A 37 21.947 15.832 -4.241 1.00 0.00 H new ATOM 0 HE ARG A 37 23.418 17.749 -5.925 1.00 0.00 H new ATOM 0 HH11 ARG A 37 22.837 16.531 -2.648 1.00 0.00 H new ATOM 0 HH12 ARG A 37 24.365 17.160 -2.024 1.00 0.00 H new ATOM 0 HH21 ARG A 37 25.371 18.544 -5.123 1.00 0.00 H new ATOM 0 HH22 ARG A 37 25.800 18.300 -3.427 1.00 0.00 H new ATOM 606 N LYS A 38 17.336 14.322 -7.336 1.00 0.00 N ATOM 607 CA LYS A 38 16.196 13.456 -7.169 1.00 0.00 C ATOM 608 C LYS A 38 16.071 12.507 -8.373 1.00 0.00 C ATOM 609 O LYS A 38 15.929 11.276 -8.211 1.00 0.00 O ATOM 610 CB LYS A 38 14.929 14.306 -7.018 1.00 0.00 C ATOM 611 CG LYS A 38 13.694 13.526 -6.617 1.00 0.00 C ATOM 612 CD LYS A 38 12.498 14.449 -6.451 1.00 0.00 C ATOM 613 CE LYS A 38 11.270 13.685 -5.986 1.00 0.00 C ATOM 614 NZ LYS A 38 11.491 13.077 -4.648 1.00 0.00 N ATOM 0 H LYS A 38 17.110 15.313 -7.425 1.00 0.00 H new ATOM 0 HA LYS A 38 16.327 12.852 -6.271 1.00 0.00 H new ATOM 0 HB2 LYS A 38 15.113 15.080 -6.273 1.00 0.00 H new ATOM 0 HB3 LYS A 38 14.732 14.813 -7.962 1.00 0.00 H new ATOM 0 HG2 LYS A 38 13.474 12.772 -7.373 1.00 0.00 H new ATOM 0 HG3 LYS A 38 13.881 12.996 -5.683 1.00 0.00 H new ATOM 0 HD2 LYS A 38 12.737 15.231 -5.730 1.00 0.00 H new ATOM 0 HD3 LYS A 38 12.284 14.944 -7.398 1.00 0.00 H new ATOM 0 HE2 LYS A 38 10.413 14.358 -5.946 1.00 0.00 H new ATOM 0 HE3 LYS A 38 11.029 12.905 -6.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 10.575 12.816 -4.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 12.082 12.227 -4.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 11.971 13.762 -4.030 1.00 0.00 H new ATOM 628 N LEU A 39 16.151 13.076 -9.573 1.00 0.00 N ATOM 629 CA LEU A 39 16.051 12.297 -10.801 1.00 0.00 C ATOM 630 C LEU A 39 17.244 11.380 -10.951 1.00 0.00 C ATOM 631 O LEU A 39 17.105 10.209 -11.271 1.00 0.00 O ATOM 632 CB LEU A 39 16.024 13.216 -12.000 1.00 0.00 C ATOM 633 CG LEU A 39 15.029 14.352 -11.949 1.00 0.00 C ATOM 634 CD1 LEU A 39 15.134 15.208 -13.200 1.00 0.00 C ATOM 635 CD2 LEU A 39 13.611 13.838 -11.758 1.00 0.00 C ATOM 0 H LEU A 39 16.285 14.076 -9.720 1.00 0.00 H new ATOM 0 HA LEU A 39 15.134 11.711 -10.746 1.00 0.00 H new ATOM 0 HB2 LEU A 39 17.020 13.639 -12.130 1.00 0.00 H new ATOM 0 HB3 LEU A 39 15.814 12.617 -12.886 1.00 0.00 H new ATOM 0 HG LEU A 39 15.271 14.973 -11.086 1.00 0.00 H new ATOM 0 HD11 LEU A 39 14.410 16.021 -13.146 1.00 0.00 H new ATOM 0 HD12 LEU A 39 16.140 15.622 -13.274 1.00 0.00 H new ATOM 0 HD13 LEU A 39 14.927 14.596 -14.078 1.00 0.00 H new ATOM 0 HD21 LEU A 39 12.920 14.680 -11.726 1.00 0.00 H new ATOM 0 HD22 LEU A 39 13.346 13.183 -12.588 1.00 0.00 H new ATOM 0 HD23 LEU A 39 13.549 13.281 -10.823 1.00 0.00 H new ATOM 647 N ALA A 40 18.416 11.936 -10.696 1.00 0.00 N ATOM 648 CA ALA A 40 19.678 11.222 -10.862 1.00 0.00 C ATOM 649 C ALA A 40 19.776 10.000 -9.991 1.00 0.00 C ATOM 650 O ALA A 40 20.272 8.984 -10.423 1.00 0.00 O ATOM 651 CB ALA A 40 20.870 12.146 -10.640 1.00 0.00 C ATOM 0 H ALA A 40 18.523 12.896 -10.368 1.00 0.00 H new ATOM 0 HA ALA A 40 19.700 10.874 -11.895 1.00 0.00 H new ATOM 0 HB1 ALA A 40 21.795 11.584 -10.771 1.00 0.00 H new ATOM 0 HB2 ALA A 40 20.836 12.963 -11.361 1.00 0.00 H new ATOM 0 HB3 ALA A 40 20.832 12.552 -9.629 1.00 0.00 H new ATOM 657 N LEU A 41 19.326 10.098 -8.771 1.00 0.00 N ATOM 658 CA LEU A 41 19.359 8.969 -7.886 1.00 0.00 C ATOM 659 C LEU A 41 18.438 7.852 -8.381 1.00 0.00 C ATOM 660 O LEU A 41 18.812 6.677 -8.362 1.00 0.00 O ATOM 661 CB LEU A 41 18.979 9.400 -6.482 1.00 0.00 C ATOM 662 CG LEU A 41 19.969 10.344 -5.791 1.00 0.00 C ATOM 663 CD1 LEU A 41 19.447 10.757 -4.434 1.00 0.00 C ATOM 664 CD2 LEU A 41 21.354 9.713 -5.679 1.00 0.00 C ATOM 0 H LEU A 41 18.932 10.948 -8.368 1.00 0.00 H new ATOM 0 HA LEU A 41 20.375 8.574 -7.869 1.00 0.00 H new ATOM 0 HB2 LEU A 41 18.005 9.888 -6.522 1.00 0.00 H new ATOM 0 HB3 LEU A 41 18.863 8.508 -5.866 1.00 0.00 H new ATOM 0 HG LEU A 41 20.068 11.238 -6.406 1.00 0.00 H new ATOM 0 HD11 LEU A 41 20.163 11.427 -3.957 1.00 0.00 H new ATOM 0 HD12 LEU A 41 18.492 11.270 -4.552 1.00 0.00 H new ATOM 0 HD13 LEU A 41 19.309 9.872 -3.813 1.00 0.00 H new ATOM 0 HD21 LEU A 41 22.032 10.409 -5.184 1.00 0.00 H new ATOM 0 HD22 LEU A 41 21.289 8.794 -5.097 1.00 0.00 H new ATOM 0 HD23 LEU A 41 21.732 9.485 -6.676 1.00 0.00 H new ATOM 676 N LYS A 42 17.243 8.227 -8.842 1.00 0.00 N ATOM 677 CA LYS A 42 16.278 7.260 -9.320 1.00 0.00 C ATOM 678 C LYS A 42 16.623 6.667 -10.697 1.00 0.00 C ATOM 679 O LYS A 42 16.574 5.453 -10.886 1.00 0.00 O ATOM 680 CB LYS A 42 14.910 7.883 -9.355 1.00 0.00 C ATOM 681 CG LYS A 42 14.317 8.121 -7.983 1.00 0.00 C ATOM 682 CD LYS A 42 14.073 6.806 -7.249 1.00 0.00 C ATOM 683 CE LYS A 42 13.389 7.026 -5.905 1.00 0.00 C ATOM 684 NZ LYS A 42 14.243 7.774 -4.940 1.00 0.00 N ATOM 0 H LYS A 42 16.929 9.196 -8.891 1.00 0.00 H new ATOM 0 HA LYS A 42 16.301 6.427 -8.617 1.00 0.00 H new ATOM 0 HB2 LYS A 42 14.966 8.833 -9.887 1.00 0.00 H new ATOM 0 HB3 LYS A 42 14.241 7.238 -9.924 1.00 0.00 H new ATOM 0 HG2 LYS A 42 14.990 8.747 -7.397 1.00 0.00 H new ATOM 0 HG3 LYS A 42 13.378 8.666 -8.080 1.00 0.00 H new ATOM 0 HD2 LYS A 42 13.457 6.153 -7.868 1.00 0.00 H new ATOM 0 HD3 LYS A 42 15.023 6.295 -7.094 1.00 0.00 H new ATOM 0 HE2 LYS A 42 12.459 7.573 -6.061 1.00 0.00 H new ATOM 0 HE3 LYS A 42 13.123 6.060 -5.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 13.757 7.837 -4.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 15.148 7.276 -4.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 14.421 8.732 -5.304 1.00 0.00 H new ATOM 698 N TYR A 43 16.991 7.518 -11.632 1.00 0.00 N ATOM 699 CA TYR A 43 17.262 7.099 -13.023 1.00 0.00 C ATOM 700 C TYR A 43 18.756 7.044 -13.291 1.00 0.00 C ATOM 701 O TYR A 43 19.207 7.170 -14.435 1.00 0.00 O ATOM 702 CB TYR A 43 16.552 8.048 -14.007 1.00 0.00 C ATOM 703 CG TYR A 43 15.068 8.148 -13.722 1.00 0.00 C ATOM 704 CD1 TYR A 43 14.214 7.082 -13.983 1.00 0.00 C ATOM 705 CD2 TYR A 43 14.529 9.291 -13.150 1.00 0.00 C ATOM 706 CE1 TYR A 43 12.865 7.162 -13.695 1.00 0.00 C ATOM 707 CE2 TYR A 43 13.183 9.377 -12.850 1.00 0.00 C ATOM 708 CZ TYR A 43 12.358 8.310 -13.128 1.00 0.00 C ATOM 709 OH TYR A 43 11.015 8.387 -12.822 1.00 0.00 O ATOM 0 H TYR A 43 17.115 8.517 -11.468 1.00 0.00 H new ATOM 0 HA TYR A 43 16.867 6.094 -13.170 1.00 0.00 H new ATOM 0 HB2 TYR A 43 17.002 9.039 -13.944 1.00 0.00 H new ATOM 0 HB3 TYR A 43 16.703 7.693 -15.027 1.00 0.00 H new ATOM 0 HD1 TYR A 43 14.612 6.177 -14.418 1.00 0.00 H new ATOM 0 HD2 TYR A 43 15.174 10.130 -12.935 1.00 0.00 H new ATOM 0 HE1 TYR A 43 12.212 6.330 -13.913 1.00 0.00 H new ATOM 0 HE2 TYR A 43 12.781 10.273 -12.401 1.00 0.00 H new ATOM 0 HH TYR A 43 10.819 9.263 -12.428 1.00 0.00 H new ATOM 719 N HIS A 44 19.507 6.863 -12.216 1.00 0.00 N ATOM 720 CA HIS A 44 20.961 6.772 -12.244 1.00 0.00 C ATOM 721 C HIS A 44 21.439 5.791 -13.326 1.00 0.00 C ATOM 722 O HIS A 44 21.017 4.644 -13.349 1.00 0.00 O ATOM 723 CB HIS A 44 21.449 6.312 -10.865 1.00 0.00 C ATOM 724 CG HIS A 44 22.904 6.505 -10.624 1.00 0.00 C ATOM 725 ND1 HIS A 44 23.592 7.630 -11.023 1.00 0.00 N ATOM 726 CD2 HIS A 44 23.804 5.720 -10.000 1.00 0.00 C ATOM 727 CE1 HIS A 44 24.848 7.521 -10.655 1.00 0.00 C ATOM 728 NE2 HIS A 44 25.000 6.374 -10.032 1.00 0.00 N ATOM 0 H HIS A 44 19.115 6.773 -11.278 1.00 0.00 H new ATOM 0 HA HIS A 44 21.373 7.752 -12.484 1.00 0.00 H new ATOM 0 HB2 HIS A 44 20.893 6.853 -10.099 1.00 0.00 H new ATOM 0 HB3 HIS A 44 21.212 5.255 -10.745 1.00 0.00 H new ATOM 0 HD2 HIS A 44 23.614 4.753 -9.557 1.00 0.00 H new ATOM 0 HE1 HIS A 44 25.624 8.250 -10.834 1.00 0.00 H new ATOM 0 HE2 HIS A 44 25.874 6.028 -9.635 1.00 0.00 H new ATOM 736 N PRO A 45 22.344 6.237 -14.226 1.00 0.00 N ATOM 737 CA PRO A 45 22.869 5.394 -15.315 1.00 0.00 C ATOM 738 C PRO A 45 23.608 4.164 -14.796 1.00 0.00 C ATOM 739 O PRO A 45 23.679 3.135 -15.473 1.00 0.00 O ATOM 740 CB PRO A 45 23.831 6.317 -16.053 1.00 0.00 C ATOM 741 CG PRO A 45 24.158 7.374 -15.073 1.00 0.00 C ATOM 742 CD PRO A 45 22.915 7.578 -14.264 1.00 0.00 C ATOM 0 HA PRO A 45 22.068 5.002 -15.942 1.00 0.00 H new ATOM 0 HB2 PRO A 45 24.726 5.783 -16.374 1.00 0.00 H new ATOM 0 HB3 PRO A 45 23.371 6.735 -16.949 1.00 0.00 H new ATOM 0 HG2 PRO A 45 24.993 7.075 -14.439 1.00 0.00 H new ATOM 0 HG3 PRO A 45 24.453 8.295 -15.575 1.00 0.00 H new ATOM 0 HD2 PRO A 45 23.137 7.954 -13.265 1.00 0.00 H new ATOM 0 HD3 PRO A 45 22.239 8.294 -14.731 1.00 0.00 H new ATOM 750 N ASP A 46 24.174 4.282 -13.597 1.00 0.00 N ATOM 751 CA ASP A 46 24.867 3.167 -12.950 1.00 0.00 C ATOM 752 C ASP A 46 23.861 2.209 -12.310 1.00 0.00 C ATOM 753 O ASP A 46 24.220 1.128 -11.851 1.00 0.00 O ATOM 754 CB ASP A 46 25.840 3.671 -11.881 1.00 0.00 C ATOM 755 CG ASP A 46 26.959 4.533 -12.429 1.00 0.00 C ATOM 756 OD1 ASP A 46 27.992 3.980 -12.855 1.00 0.00 O ATOM 757 OD2 ASP A 46 26.816 5.771 -12.424 1.00 0.00 O ATOM 0 H ASP A 46 24.167 5.143 -13.050 1.00 0.00 H new ATOM 0 HA ASP A 46 25.431 2.638 -13.718 1.00 0.00 H new ATOM 0 HB2 ASP A 46 25.284 4.243 -11.138 1.00 0.00 H new ATOM 0 HB3 ASP A 46 26.273 2.814 -11.365 1.00 0.00 H new ATOM 762 N LYS A 47 22.603 2.625 -12.267 1.00 0.00 N ATOM 763 CA LYS A 47 21.533 1.817 -11.688 1.00 0.00 C ATOM 764 C LYS A 47 20.688 1.230 -12.811 1.00 0.00 C ATOM 765 O LYS A 47 20.432 0.031 -12.855 1.00 0.00 O ATOM 766 CB LYS A 47 20.653 2.676 -10.764 1.00 0.00 C ATOM 767 CG LYS A 47 19.562 1.907 -10.035 1.00 0.00 C ATOM 768 CD LYS A 47 18.705 2.827 -9.183 1.00 0.00 C ATOM 769 CE LYS A 47 17.623 2.051 -8.443 1.00 0.00 C ATOM 770 NZ LYS A 47 16.712 2.949 -7.689 1.00 0.00 N ATOM 0 H LYS A 47 22.294 3.527 -12.630 1.00 0.00 H new ATOM 0 HA LYS A 47 21.970 1.012 -11.097 1.00 0.00 H new ATOM 0 HB2 LYS A 47 21.291 3.163 -10.026 1.00 0.00 H new ATOM 0 HB3 LYS A 47 20.190 3.465 -11.356 1.00 0.00 H new ATOM 0 HG2 LYS A 47 18.933 1.391 -10.760 1.00 0.00 H new ATOM 0 HG3 LYS A 47 20.015 1.142 -9.404 1.00 0.00 H new ATOM 0 HD2 LYS A 47 19.335 3.351 -8.464 1.00 0.00 H new ATOM 0 HD3 LYS A 47 18.243 3.585 -9.815 1.00 0.00 H new ATOM 0 HE2 LYS A 47 17.045 1.464 -9.157 1.00 0.00 H new ATOM 0 HE3 LYS A 47 18.089 1.346 -7.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 15.991 2.381 -7.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 17.259 3.491 -6.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 16.247 3.605 -8.348 1.00 0.00 H new ATOM 784 N ASN A 48 20.277 2.099 -13.720 1.00 0.00 N ATOM 785 CA ASN A 48 19.497 1.721 -14.875 1.00 0.00 C ATOM 786 C ASN A 48 20.180 2.228 -16.134 1.00 0.00 C ATOM 787 O ASN A 48 20.032 3.389 -16.512 1.00 0.00 O ATOM 788 CB ASN A 48 18.074 2.283 -14.807 1.00 0.00 C ATOM 789 CG ASN A 48 17.302 1.830 -13.584 1.00 0.00 C ATOM 790 OD1 ASN A 48 17.315 2.492 -12.545 1.00 0.00 O ATOM 791 ND2 ASN A 48 16.620 0.705 -13.695 1.00 0.00 N ATOM 0 H ASN A 48 20.481 3.097 -13.671 1.00 0.00 H new ATOM 0 HA ASN A 48 19.429 0.633 -14.893 1.00 0.00 H new ATOM 0 HB2 ASN A 48 18.121 3.372 -14.814 1.00 0.00 H new ATOM 0 HB3 ASN A 48 17.530 1.982 -15.702 1.00 0.00 H new ATOM 0 HD21 ASN A 48 16.079 0.356 -12.904 1.00 0.00 H new ATOM 0 HD22 ASN A 48 16.634 0.185 -14.572 1.00 0.00 H new ATOM 798 N PRO A 49 20.952 1.364 -16.782 1.00 0.00 N ATOM 799 CA PRO A 49 21.684 1.685 -17.993 1.00 0.00 C ATOM 800 C PRO A 49 20.768 2.069 -19.154 1.00 0.00 C ATOM 801 O PRO A 49 21.167 2.796 -20.067 1.00 0.00 O ATOM 802 CB PRO A 49 22.422 0.390 -18.302 1.00 0.00 C ATOM 803 CG PRO A 49 21.667 -0.641 -17.594 1.00 0.00 C ATOM 804 CD PRO A 49 21.179 0.003 -16.369 1.00 0.00 C ATOM 0 HA PRO A 49 22.335 2.548 -17.858 1.00 0.00 H new ATOM 0 HB2 PRO A 49 22.450 0.195 -19.374 1.00 0.00 H new ATOM 0 HB3 PRO A 49 23.456 0.431 -17.959 1.00 0.00 H new ATOM 0 HG2 PRO A 49 20.839 -1.008 -18.201 1.00 0.00 H new ATOM 0 HG3 PRO A 49 22.297 -1.499 -17.362 1.00 0.00 H new ATOM 0 HD2 PRO A 49 20.265 -0.465 -16.005 1.00 0.00 H new ATOM 0 HD3 PRO A 49 21.911 -0.057 -15.563 1.00 0.00 H new ATOM 812 N ASN A 50 19.543 1.588 -19.104 1.00 0.00 N ATOM 813 CA ASN A 50 18.555 1.884 -20.134 1.00 0.00 C ATOM 814 C ASN A 50 18.015 3.304 -19.991 1.00 0.00 C ATOM 815 O ASN A 50 17.468 3.865 -20.940 1.00 0.00 O ATOM 816 CB ASN A 50 17.394 0.870 -20.092 1.00 0.00 C ATOM 817 CG ASN A 50 16.681 0.814 -18.745 1.00 0.00 C ATOM 818 OD1 ASN A 50 17.293 0.984 -17.682 1.00 0.00 O ATOM 819 ND2 ASN A 50 15.390 0.571 -18.777 1.00 0.00 N ATOM 0 H ASN A 50 19.201 0.985 -18.356 1.00 0.00 H new ATOM 0 HA ASN A 50 19.055 1.802 -21.099 1.00 0.00 H new ATOM 0 HB2 ASN A 50 16.671 1.126 -20.866 1.00 0.00 H new ATOM 0 HB3 ASN A 50 17.779 -0.121 -20.331 1.00 0.00 H new ATOM 0 HD21 ASN A 50 14.859 0.517 -17.907 1.00 0.00 H new ATOM 0 HD22 ASN A 50 14.918 0.436 -19.671 1.00 0.00 H new ATOM 826 N GLU A 51 18.189 3.896 -18.814 1.00 0.00 N ATOM 827 CA GLU A 51 17.688 5.252 -18.567 1.00 0.00 C ATOM 828 C GLU A 51 18.768 6.317 -18.806 1.00 0.00 C ATOM 829 O GLU A 51 18.493 7.517 -18.743 1.00 0.00 O ATOM 830 CB GLU A 51 17.133 5.384 -17.153 1.00 0.00 C ATOM 831 CG GLU A 51 15.919 4.505 -16.882 1.00 0.00 C ATOM 832 CD GLU A 51 14.752 4.809 -17.797 1.00 0.00 C ATOM 833 OE1 GLU A 51 14.267 5.959 -17.793 1.00 0.00 O ATOM 834 OE2 GLU A 51 14.297 3.888 -18.512 1.00 0.00 O ATOM 0 H GLU A 51 18.667 3.468 -18.021 1.00 0.00 H new ATOM 0 HA GLU A 51 16.882 5.423 -19.281 1.00 0.00 H new ATOM 0 HB2 GLU A 51 17.918 5.132 -16.440 1.00 0.00 H new ATOM 0 HB3 GLU A 51 16.863 6.425 -16.975 1.00 0.00 H new ATOM 0 HG2 GLU A 51 16.202 3.459 -16.998 1.00 0.00 H new ATOM 0 HG3 GLU A 51 15.606 4.637 -15.846 1.00 0.00 H new ATOM 841 N GLY A 52 19.992 5.875 -19.100 1.00 0.00 N ATOM 842 CA GLY A 52 21.097 6.802 -19.321 1.00 0.00 C ATOM 843 C GLY A 52 20.872 7.713 -20.515 1.00 0.00 C ATOM 844 O GLY A 52 21.383 8.829 -20.554 1.00 0.00 O ATOM 0 H GLY A 52 20.239 4.890 -19.189 1.00 0.00 H new ATOM 0 HA2 GLY A 52 21.239 7.410 -18.428 1.00 0.00 H new ATOM 0 HA3 GLY A 52 22.016 6.235 -19.470 1.00 0.00 H new ATOM 848 N GLU A 53 20.106 7.228 -21.489 1.00 0.00 N ATOM 849 CA GLU A 53 19.774 8.018 -22.669 1.00 0.00 C ATOM 850 C GLU A 53 19.025 9.276 -22.238 1.00 0.00 C ATOM 851 O GLU A 53 19.344 10.388 -22.663 1.00 0.00 O ATOM 852 CB GLU A 53 18.906 7.178 -23.624 1.00 0.00 C ATOM 853 CG GLU A 53 18.436 7.908 -24.877 1.00 0.00 C ATOM 854 CD GLU A 53 19.569 8.282 -25.804 1.00 0.00 C ATOM 855 OE1 GLU A 53 20.182 7.371 -26.389 1.00 0.00 O ATOM 856 OE2 GLU A 53 19.830 9.489 -25.975 1.00 0.00 O ATOM 0 H GLU A 53 19.704 6.291 -21.483 1.00 0.00 H new ATOM 0 HA GLU A 53 20.687 8.308 -23.189 1.00 0.00 H new ATOM 0 HB2 GLU A 53 19.473 6.297 -23.926 1.00 0.00 H new ATOM 0 HB3 GLU A 53 18.031 6.823 -23.079 1.00 0.00 H new ATOM 0 HG2 GLU A 53 17.728 7.277 -25.414 1.00 0.00 H new ATOM 0 HG3 GLU A 53 17.900 8.811 -24.585 1.00 0.00 H new ATOM 863 N LYS A 54 18.047 9.089 -21.361 1.00 0.00 N ATOM 864 CA LYS A 54 17.280 10.180 -20.821 1.00 0.00 C ATOM 865 C LYS A 54 18.166 11.039 -19.930 1.00 0.00 C ATOM 866 O LYS A 54 18.050 12.261 -19.891 1.00 0.00 O ATOM 867 CB LYS A 54 16.089 9.671 -20.034 1.00 0.00 C ATOM 868 CG LYS A 54 15.036 8.936 -20.862 1.00 0.00 C ATOM 869 CD LYS A 54 13.824 8.633 -20.027 1.00 0.00 C ATOM 870 CE LYS A 54 12.933 7.577 -20.676 1.00 0.00 C ATOM 871 NZ LYS A 54 12.466 7.969 -22.032 1.00 0.00 N ATOM 0 H LYS A 54 17.771 8.172 -21.010 1.00 0.00 H new ATOM 0 HA LYS A 54 16.906 10.782 -21.649 1.00 0.00 H new ATOM 0 HB2 LYS A 54 16.448 9.001 -19.253 1.00 0.00 H new ATOM 0 HB3 LYS A 54 15.613 10.516 -19.536 1.00 0.00 H new ATOM 0 HG2 LYS A 54 14.750 9.545 -21.720 1.00 0.00 H new ATOM 0 HG3 LYS A 54 15.455 8.009 -21.254 1.00 0.00 H new ATOM 0 HD2 LYS A 54 14.139 8.287 -19.043 1.00 0.00 H new ATOM 0 HD3 LYS A 54 13.251 9.547 -19.875 1.00 0.00 H new ATOM 0 HE2 LYS A 54 13.482 6.638 -20.744 1.00 0.00 H new ATOM 0 HE3 LYS A 54 12.068 7.396 -20.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 11.812 7.247 -22.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 11.976 8.885 -21.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 13.283 8.049 -22.671 1.00 0.00 H new ATOM 885 N PHE A 55 19.050 10.369 -19.209 1.00 0.00 N ATOM 886 CA PHE A 55 19.968 11.013 -18.280 1.00 0.00 C ATOM 887 C PHE A 55 20.889 12.018 -18.977 1.00 0.00 C ATOM 888 O PHE A 55 21.345 12.975 -18.352 1.00 0.00 O ATOM 889 CB PHE A 55 20.794 9.957 -17.547 1.00 0.00 C ATOM 890 CG PHE A 55 21.626 10.494 -16.420 1.00 0.00 C ATOM 891 CD1 PHE A 55 21.042 10.848 -15.212 1.00 0.00 C ATOM 892 CD2 PHE A 55 22.994 10.631 -16.563 1.00 0.00 C ATOM 893 CE1 PHE A 55 21.813 11.332 -14.171 1.00 0.00 C ATOM 894 CE2 PHE A 55 23.769 11.116 -15.528 1.00 0.00 C ATOM 895 CZ PHE A 55 23.178 11.468 -14.333 1.00 0.00 C ATOM 0 H PHE A 55 19.153 9.355 -19.251 1.00 0.00 H new ATOM 0 HA PHE A 55 19.369 11.572 -17.561 1.00 0.00 H new ATOM 0 HB2 PHE A 55 20.121 9.195 -17.155 1.00 0.00 H new ATOM 0 HB3 PHE A 55 21.450 9.464 -18.264 1.00 0.00 H new ATOM 0 HD1 PHE A 55 19.975 10.744 -15.084 1.00 0.00 H new ATOM 0 HD2 PHE A 55 23.463 10.355 -17.496 1.00 0.00 H new ATOM 0 HE1 PHE A 55 21.349 11.603 -13.234 1.00 0.00 H new ATOM 0 HE2 PHE A 55 24.837 11.219 -15.654 1.00 0.00 H new ATOM 0 HZ PHE A 55 23.782 11.850 -13.524 1.00 0.00 H new ATOM 905 N LYS A 56 21.176 11.798 -20.256 1.00 0.00 N ATOM 906 CA LYS A 56 21.988 12.750 -21.011 1.00 0.00 C ATOM 907 C LYS A 56 21.295 14.117 -21.011 1.00 0.00 C ATOM 908 O LYS A 56 21.932 15.151 -20.821 1.00 0.00 O ATOM 909 CB LYS A 56 22.194 12.275 -22.455 1.00 0.00 C ATOM 910 CG LYS A 56 23.094 13.193 -23.275 1.00 0.00 C ATOM 911 CD LYS A 56 23.235 12.714 -24.711 1.00 0.00 C ATOM 912 CE LYS A 56 24.141 13.646 -25.505 1.00 0.00 C ATOM 913 NZ LYS A 56 24.292 13.222 -26.916 1.00 0.00 N ATOM 0 H LYS A 56 20.865 10.984 -20.786 1.00 0.00 H new ATOM 0 HA LYS A 56 22.966 12.827 -20.536 1.00 0.00 H new ATOM 0 HB2 LYS A 56 22.625 11.274 -22.442 1.00 0.00 H new ATOM 0 HB3 LYS A 56 21.224 12.198 -22.946 1.00 0.00 H new ATOM 0 HG2 LYS A 56 22.685 14.203 -23.268 1.00 0.00 H new ATOM 0 HG3 LYS A 56 24.079 13.245 -22.811 1.00 0.00 H new ATOM 0 HD2 LYS A 56 23.644 11.704 -24.724 1.00 0.00 H new ATOM 0 HD3 LYS A 56 22.253 12.666 -25.181 1.00 0.00 H new ATOM 0 HE2 LYS A 56 23.734 14.657 -25.474 1.00 0.00 H new ATOM 0 HE3 LYS A 56 25.123 13.683 -25.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 24.917 13.888 -27.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 24.705 12.268 -26.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 23.360 13.212 -27.377 1.00 0.00 H new ATOM 927 N GLN A 57 19.982 14.093 -21.207 1.00 0.00 N ATOM 928 CA GLN A 57 19.152 15.274 -21.187 1.00 0.00 C ATOM 929 C GLN A 57 19.222 15.943 -19.826 1.00 0.00 C ATOM 930 O GLN A 57 19.357 17.169 -19.720 1.00 0.00 O ATOM 931 CB GLN A 57 17.733 14.841 -21.445 1.00 0.00 C ATOM 932 CG GLN A 57 17.500 14.289 -22.824 1.00 0.00 C ATOM 933 CD GLN A 57 16.072 13.825 -23.039 1.00 0.00 C ATOM 934 OE1 GLN A 57 15.135 14.392 -22.491 1.00 0.00 O ATOM 935 NE2 GLN A 57 15.903 12.790 -23.837 1.00 0.00 N ATOM 0 H GLN A 57 19.463 13.234 -21.387 1.00 0.00 H new ATOM 0 HA GLN A 57 19.494 15.981 -21.943 1.00 0.00 H new ATOM 0 HB2 GLN A 57 17.456 14.084 -20.711 1.00 0.00 H new ATOM 0 HB3 GLN A 57 17.071 15.693 -21.290 1.00 0.00 H new ATOM 0 HG2 GLN A 57 17.744 15.053 -23.562 1.00 0.00 H new ATOM 0 HG3 GLN A 57 18.178 13.453 -22.995 1.00 0.00 H new ATOM 0 HE21 GLN A 57 16.710 12.346 -24.274 1.00 0.00 H new ATOM 0 HE22 GLN A 57 14.965 12.433 -24.018 1.00 0.00 H new ATOM 944 N ILE A 58 19.142 15.123 -18.792 1.00 0.00 N ATOM 945 CA ILE A 58 19.191 15.594 -17.421 1.00 0.00 C ATOM 946 C ILE A 58 20.533 16.258 -17.130 1.00 0.00 C ATOM 947 O ILE A 58 20.595 17.316 -16.505 1.00 0.00 O ATOM 948 CB ILE A 58 18.955 14.433 -16.421 1.00 0.00 C ATOM 949 CG1 ILE A 58 17.528 13.921 -16.526 1.00 0.00 C ATOM 950 CG2 ILE A 58 19.239 14.866 -15.014 1.00 0.00 C ATOM 951 CD1 ILE A 58 17.253 12.668 -15.711 1.00 0.00 C ATOM 0 H ILE A 58 19.041 14.112 -18.881 1.00 0.00 H new ATOM 0 HA ILE A 58 18.394 16.327 -17.295 1.00 0.00 H new ATOM 0 HB ILE A 58 19.642 13.627 -16.679 1.00 0.00 H new ATOM 0 HG12 ILE A 58 16.847 14.708 -16.202 1.00 0.00 H new ATOM 0 HG13 ILE A 58 17.304 13.716 -17.573 1.00 0.00 H new ATOM 0 HG21 ILE A 58 19.065 14.032 -14.334 1.00 0.00 H new ATOM 0 HG22 ILE A 58 20.277 15.188 -14.935 1.00 0.00 H new ATOM 0 HG23 ILE A 58 18.581 15.694 -14.748 1.00 0.00 H new ATOM 0 HD11 ILE A 58 16.213 12.370 -15.842 1.00 0.00 H new ATOM 0 HD12 ILE A 58 17.906 11.864 -16.049 1.00 0.00 H new ATOM 0 HD13 ILE A 58 17.442 12.871 -14.657 1.00 0.00 H new ATOM 963 N SER A 59 21.596 15.630 -17.602 1.00 0.00 N ATOM 964 CA SER A 59 22.948 16.120 -17.390 1.00 0.00 C ATOM 965 C SER A 59 23.141 17.543 -17.962 1.00 0.00 C ATOM 966 O SER A 59 23.767 18.393 -17.323 1.00 0.00 O ATOM 967 CB SER A 59 23.960 15.156 -18.012 1.00 0.00 C ATOM 968 OG SER A 59 23.815 13.841 -17.483 1.00 0.00 O ATOM 0 H SER A 59 21.547 14.767 -18.143 1.00 0.00 H new ATOM 0 HA SER A 59 23.116 16.174 -16.314 1.00 0.00 H new ATOM 0 HB2 SER A 59 23.826 15.132 -19.093 1.00 0.00 H new ATOM 0 HB3 SER A 59 24.971 15.516 -17.824 1.00 0.00 H new ATOM 0 HG SER A 59 23.026 13.415 -17.878 1.00 0.00 H new ATOM 974 N GLN A 60 22.605 17.792 -19.159 1.00 0.00 N ATOM 975 CA GLN A 60 22.728 19.086 -19.808 1.00 0.00 C ATOM 976 C GLN A 60 22.019 20.172 -19.012 1.00 0.00 C ATOM 977 O GLN A 60 22.588 21.242 -18.744 1.00 0.00 O ATOM 978 CB GLN A 60 22.141 18.994 -21.186 1.00 0.00 C ATOM 979 CG GLN A 60 22.845 18.013 -22.089 1.00 0.00 C ATOM 980 CD GLN A 60 22.190 17.893 -23.453 1.00 0.00 C ATOM 981 OE1 GLN A 60 21.536 18.825 -23.924 1.00 0.00 O ATOM 982 NE2 GLN A 60 22.362 16.755 -24.091 1.00 0.00 N ATOM 0 H GLN A 60 22.079 17.104 -19.697 1.00 0.00 H new ATOM 0 HA GLN A 60 23.783 19.353 -19.866 1.00 0.00 H new ATOM 0 HB2 GLN A 60 21.092 18.709 -21.105 1.00 0.00 H new ATOM 0 HB3 GLN A 60 22.168 19.981 -21.648 1.00 0.00 H new ATOM 0 HG2 GLN A 60 23.882 18.323 -22.215 1.00 0.00 H new ATOM 0 HG3 GLN A 60 22.861 17.033 -21.611 1.00 0.00 H new ATOM 0 HE21 GLN A 60 22.911 16.009 -23.664 1.00 0.00 H new ATOM 0 HE22 GLN A 60 21.946 16.619 -25.012 1.00 0.00 H new ATOM 991 N ALA A 61 20.780 19.895 -18.623 1.00 0.00 N ATOM 992 CA ALA A 61 20.001 20.835 -17.815 1.00 0.00 C ATOM 993 C ALA A 61 20.714 21.090 -16.509 1.00 0.00 C ATOM 994 O ALA A 61 20.787 22.205 -16.053 1.00 0.00 O ATOM 995 CB ALA A 61 18.597 20.296 -17.562 1.00 0.00 C ATOM 0 H ALA A 61 20.291 19.030 -18.852 1.00 0.00 H new ATOM 0 HA ALA A 61 19.906 21.774 -18.359 1.00 0.00 H new ATOM 0 HB1 ALA A 61 18.036 21.011 -16.960 1.00 0.00 H new ATOM 0 HB2 ALA A 61 18.088 20.145 -18.514 1.00 0.00 H new ATOM 0 HB3 ALA A 61 18.662 19.346 -17.031 1.00 0.00 H new ATOM 1001 N TYR A 62 21.266 20.042 -15.940 1.00 0.00 N ATOM 1002 CA TYR A 62 22.025 20.145 -14.710 1.00 0.00 C ATOM 1003 C TYR A 62 23.209 21.102 -14.865 1.00 0.00 C ATOM 1004 O TYR A 62 23.492 21.890 -13.967 1.00 0.00 O ATOM 1005 CB TYR A 62 22.494 18.751 -14.271 1.00 0.00 C ATOM 1006 CG TYR A 62 23.546 18.736 -13.173 1.00 0.00 C ATOM 1007 CD1 TYR A 62 23.279 19.234 -11.905 1.00 0.00 C ATOM 1008 CD2 TYR A 62 24.803 18.199 -13.412 1.00 0.00 C ATOM 1009 CE1 TYR A 62 24.236 19.197 -10.908 1.00 0.00 C ATOM 1010 CE2 TYR A 62 25.765 18.163 -12.421 1.00 0.00 C ATOM 1011 CZ TYR A 62 25.473 18.662 -11.170 1.00 0.00 C ATOM 1012 OH TYR A 62 26.426 18.626 -10.176 1.00 0.00 O ATOM 0 H TYR A 62 21.203 19.095 -16.314 1.00 0.00 H new ATOM 0 HA TYR A 62 21.378 20.557 -13.936 1.00 0.00 H new ATOM 0 HB2 TYR A 62 21.627 18.185 -13.929 1.00 0.00 H new ATOM 0 HB3 TYR A 62 22.893 18.229 -15.141 1.00 0.00 H new ATOM 0 HD1 TYR A 62 22.308 19.657 -11.694 1.00 0.00 H new ATOM 0 HD2 TYR A 62 25.033 17.802 -14.390 1.00 0.00 H new ATOM 0 HE1 TYR A 62 24.011 19.588 -9.926 1.00 0.00 H new ATOM 0 HE2 TYR A 62 26.740 17.746 -12.626 1.00 0.00 H new ATOM 0 HH TYR A 62 27.245 18.216 -10.523 1.00 0.00 H new ATOM 1022 N GLU A 63 23.880 21.033 -16.006 1.00 0.00 N ATOM 1023 CA GLU A 63 25.047 21.863 -16.263 1.00 0.00 C ATOM 1024 C GLU A 63 24.747 23.364 -16.178 1.00 0.00 C ATOM 1025 O GLU A 63 25.361 24.083 -15.381 1.00 0.00 O ATOM 1026 CB GLU A 63 25.658 21.505 -17.620 1.00 0.00 C ATOM 1027 CG GLU A 63 26.854 22.359 -18.010 1.00 0.00 C ATOM 1028 CD GLU A 63 27.437 21.980 -19.355 1.00 0.00 C ATOM 1029 OE1 GLU A 63 27.265 20.821 -19.785 1.00 0.00 O ATOM 1030 OE2 GLU A 63 28.065 22.850 -19.998 1.00 0.00 O ATOM 0 H GLU A 63 23.634 20.407 -16.772 1.00 0.00 H new ATOM 0 HA GLU A 63 25.769 21.652 -15.474 1.00 0.00 H new ATOM 0 HB2 GLU A 63 25.963 20.459 -17.604 1.00 0.00 H new ATOM 0 HB3 GLU A 63 24.891 21.602 -18.388 1.00 0.00 H new ATOM 0 HG2 GLU A 63 26.554 23.407 -18.032 1.00 0.00 H new ATOM 0 HG3 GLU A 63 27.626 22.265 -17.246 1.00 0.00 H new ATOM 1037 N VAL A 64 23.817 23.824 -16.980 1.00 0.00 N ATOM 1038 CA VAL A 64 23.468 25.232 -17.024 1.00 0.00 C ATOM 1039 C VAL A 64 22.512 25.647 -15.887 1.00 0.00 C ATOM 1040 O VAL A 64 22.674 26.703 -15.311 1.00 0.00 O ATOM 1041 CB VAL A 64 22.918 25.619 -18.428 1.00 0.00 C ATOM 1042 CG1 VAL A 64 22.474 24.375 -19.184 1.00 0.00 C ATOM 1043 CG2 VAL A 64 21.782 26.608 -18.323 1.00 0.00 C ATOM 0 H VAL A 64 23.280 23.239 -17.620 1.00 0.00 H new ATOM 0 HA VAL A 64 24.384 25.798 -16.856 1.00 0.00 H new ATOM 0 HB VAL A 64 23.725 26.099 -18.982 1.00 0.00 H new ATOM 0 HG11 VAL A 64 22.092 24.662 -20.164 1.00 0.00 H new ATOM 0 HG12 VAL A 64 23.323 23.702 -19.308 1.00 0.00 H new ATOM 0 HG13 VAL A 64 21.689 23.869 -18.622 1.00 0.00 H new ATOM 0 HG21 VAL A 64 21.422 26.856 -19.322 1.00 0.00 H new ATOM 0 HG22 VAL A 64 20.970 26.169 -17.743 1.00 0.00 H new ATOM 0 HG23 VAL A 64 22.133 27.514 -17.828 1.00 0.00 H new ATOM 1053 N LEU A 65 21.537 24.802 -15.560 1.00 0.00 N ATOM 1054 CA LEU A 65 20.561 25.124 -14.511 1.00 0.00 C ATOM 1055 C LEU A 65 21.198 25.239 -13.130 1.00 0.00 C ATOM 1056 O LEU A 65 20.873 26.150 -12.371 1.00 0.00 O ATOM 1057 CB LEU A 65 19.367 24.152 -14.518 1.00 0.00 C ATOM 1058 CG LEU A 65 18.184 24.533 -15.457 1.00 0.00 C ATOM 1059 CD1 LEU A 65 18.648 24.784 -16.886 1.00 0.00 C ATOM 1060 CD2 LEU A 65 17.116 23.451 -15.444 1.00 0.00 C ATOM 0 H LEU A 65 21.398 23.893 -16.001 1.00 0.00 H new ATOM 0 HA LEU A 65 20.170 26.113 -14.749 1.00 0.00 H new ATOM 0 HB2 LEU A 65 19.729 23.165 -14.804 1.00 0.00 H new ATOM 0 HB3 LEU A 65 18.985 24.069 -13.500 1.00 0.00 H new ATOM 0 HG LEU A 65 17.760 25.461 -15.074 1.00 0.00 H new ATOM 0 HD11 LEU A 65 17.791 25.047 -17.506 1.00 0.00 H new ATOM 0 HD12 LEU A 65 19.368 25.603 -16.896 1.00 0.00 H new ATOM 0 HD13 LEU A 65 19.118 23.883 -17.280 1.00 0.00 H new ATOM 0 HD21 LEU A 65 16.299 23.738 -16.107 1.00 0.00 H new ATOM 0 HD22 LEU A 65 17.547 22.510 -15.786 1.00 0.00 H new ATOM 0 HD23 LEU A 65 16.735 23.328 -14.430 1.00 0.00 H new ATOM 1072 N SER A 66 22.133 24.349 -12.808 1.00 0.00 N ATOM 1073 CA SER A 66 22.772 24.398 -11.493 1.00 0.00 C ATOM 1074 C SER A 66 23.749 25.568 -11.410 1.00 0.00 C ATOM 1075 O SER A 66 24.244 25.910 -10.331 1.00 0.00 O ATOM 1076 CB SER A 66 23.471 23.086 -11.186 1.00 0.00 C ATOM 1077 OG SER A 66 22.553 22.014 -11.245 1.00 0.00 O ATOM 0 H SER A 66 22.460 23.602 -13.421 1.00 0.00 H new ATOM 0 HA SER A 66 21.997 24.551 -10.743 1.00 0.00 H new ATOM 0 HB2 SER A 66 24.279 22.921 -11.899 1.00 0.00 H new ATOM 0 HB3 SER A 66 23.924 23.131 -10.196 1.00 0.00 H new ATOM 0 HG SER A 66 23.042 21.165 -11.261 1.00 0.00 H new ATOM 1083 N ASP A 67 24.030 26.168 -12.549 1.00 0.00 N ATOM 1084 CA ASP A 67 24.862 27.348 -12.615 1.00 0.00 C ATOM 1085 C ASP A 67 23.979 28.545 -12.899 1.00 0.00 C ATOM 1086 O ASP A 67 23.591 28.785 -14.043 1.00 0.00 O ATOM 1087 CB ASP A 67 25.923 27.204 -13.702 1.00 0.00 C ATOM 1088 CG ASP A 67 26.938 28.325 -13.668 1.00 0.00 C ATOM 1089 OD1 ASP A 67 26.625 29.430 -14.150 1.00 0.00 O ATOM 1090 OD2 ASP A 67 28.070 28.101 -13.167 1.00 0.00 O ATOM 0 H ASP A 67 23.687 25.849 -13.455 1.00 0.00 H new ATOM 0 HA ASP A 67 25.378 27.482 -11.664 1.00 0.00 H new ATOM 0 HB2 ASP A 67 26.435 26.250 -13.582 1.00 0.00 H new ATOM 0 HB3 ASP A 67 25.439 27.185 -14.678 1.00 0.00 H new ATOM 1095 N ALA A 68 23.656 29.298 -11.861 1.00 0.00 N ATOM 1096 CA ALA A 68 22.736 30.426 -11.985 1.00 0.00 C ATOM 1097 C ALA A 68 23.179 31.418 -13.051 1.00 0.00 C ATOM 1098 O ALA A 68 22.353 32.121 -13.641 1.00 0.00 O ATOM 1099 CB ALA A 68 22.557 31.127 -10.644 1.00 0.00 C ATOM 0 H ALA A 68 24.016 29.151 -10.918 1.00 0.00 H new ATOM 0 HA ALA A 68 21.775 30.020 -12.301 1.00 0.00 H new ATOM 0 HB1 ALA A 68 21.868 31.964 -10.760 1.00 0.00 H new ATOM 0 HB2 ALA A 68 22.154 30.423 -9.916 1.00 0.00 H new ATOM 0 HB3 ALA A 68 23.521 31.497 -10.295 1.00 0.00 H new ATOM 1105 N LYS A 69 24.469 31.475 -13.296 1.00 0.00 N ATOM 1106 CA LYS A 69 25.000 32.398 -14.262 1.00 0.00 C ATOM 1107 C LYS A 69 24.672 31.940 -15.687 1.00 0.00 C ATOM 1108 O LYS A 69 24.128 32.705 -16.471 1.00 0.00 O ATOM 1109 CB LYS A 69 26.507 32.558 -14.058 1.00 0.00 C ATOM 1110 CG LYS A 69 27.146 33.646 -14.896 1.00 0.00 C ATOM 1111 CD LYS A 69 28.620 33.799 -14.547 1.00 0.00 C ATOM 1112 CE LYS A 69 29.291 34.902 -15.351 1.00 0.00 C ATOM 1113 NZ LYS A 69 30.732 35.035 -15.001 1.00 0.00 N ATOM 0 H LYS A 69 25.167 30.890 -12.837 1.00 0.00 H new ATOM 0 HA LYS A 69 24.532 33.372 -14.117 1.00 0.00 H new ATOM 0 HB2 LYS A 69 26.697 32.769 -13.006 1.00 0.00 H new ATOM 0 HB3 LYS A 69 26.994 31.610 -14.286 1.00 0.00 H new ATOM 0 HG2 LYS A 69 27.041 33.406 -15.954 1.00 0.00 H new ATOM 0 HG3 LYS A 69 26.628 34.591 -14.730 1.00 0.00 H new ATOM 0 HD2 LYS A 69 28.719 34.016 -13.483 1.00 0.00 H new ATOM 0 HD3 LYS A 69 29.134 32.855 -14.729 1.00 0.00 H new ATOM 0 HE2 LYS A 69 29.193 34.689 -16.415 1.00 0.00 H new ATOM 0 HE3 LYS A 69 28.782 35.848 -15.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 31.158 35.796 -15.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 30.824 35.263 -13.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 31.222 34.139 -15.200 1.00 0.00 H new ATOM 1127 N LYS A 70 24.972 30.673 -16.007 1.00 0.00 N ATOM 1128 CA LYS A 70 24.704 30.129 -17.337 1.00 0.00 C ATOM 1129 C LYS A 70 23.219 30.060 -17.595 1.00 0.00 C ATOM 1130 O LYS A 70 22.754 30.304 -18.712 1.00 0.00 O ATOM 1131 CB LYS A 70 25.327 28.760 -17.490 1.00 0.00 C ATOM 1132 CG LYS A 70 26.841 28.785 -17.422 1.00 0.00 C ATOM 1133 CD LYS A 70 27.436 27.401 -17.509 1.00 0.00 C ATOM 1134 CE LYS A 70 27.148 26.766 -18.850 1.00 0.00 C ATOM 1135 NZ LYS A 70 27.869 25.489 -19.027 1.00 0.00 N ATOM 0 H LYS A 70 25.400 30.010 -15.361 1.00 0.00 H new ATOM 0 HA LYS A 70 25.152 30.797 -18.072 1.00 0.00 H new ATOM 0 HB2 LYS A 70 24.945 28.104 -16.708 1.00 0.00 H new ATOM 0 HB3 LYS A 70 25.019 28.332 -18.444 1.00 0.00 H new ATOM 0 HG2 LYS A 70 27.230 29.398 -18.235 1.00 0.00 H new ATOM 0 HG3 LYS A 70 27.154 29.256 -16.490 1.00 0.00 H new ATOM 0 HD2 LYS A 70 28.513 27.455 -17.353 1.00 0.00 H new ATOM 0 HD3 LYS A 70 27.030 26.777 -16.713 1.00 0.00 H new ATOM 0 HE2 LYS A 70 26.076 26.593 -18.946 1.00 0.00 H new ATOM 0 HE3 LYS A 70 27.432 27.455 -19.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 27.266 24.819 -19.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 28.743 25.656 -19.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 28.107 25.093 -18.095 1.00 0.00 H new ATOM 1149 N ARG A 71 22.483 29.712 -16.554 1.00 0.00 N ATOM 1150 CA ARG A 71 21.035 29.635 -16.605 1.00 0.00 C ATOM 1151 C ARG A 71 20.449 30.955 -17.052 1.00 0.00 C ATOM 1152 O ARG A 71 19.567 31.006 -17.907 1.00 0.00 O ATOM 1153 CB ARG A 71 20.504 29.324 -15.211 1.00 0.00 C ATOM 1154 CG ARG A 71 18.998 29.329 -15.111 1.00 0.00 C ATOM 1155 CD ARG A 71 18.551 29.109 -13.683 1.00 0.00 C ATOM 1156 NE ARG A 71 17.099 29.188 -13.550 1.00 0.00 N ATOM 1157 CZ ARG A 71 16.420 30.331 -13.377 1.00 0.00 C ATOM 1158 NH1 ARG A 71 17.065 31.502 -13.369 1.00 0.00 N ATOM 1159 NH2 ARG A 71 15.104 30.307 -13.230 1.00 0.00 N ATOM 0 H ARG A 71 22.877 29.473 -15.644 1.00 0.00 H new ATOM 0 HA ARG A 71 20.752 28.855 -17.312 1.00 0.00 H new ATOM 0 HB2 ARG A 71 20.875 28.347 -14.902 1.00 0.00 H new ATOM 0 HB3 ARG A 71 20.907 30.054 -14.509 1.00 0.00 H new ATOM 0 HG2 ARG A 71 18.609 30.279 -15.476 1.00 0.00 H new ATOM 0 HG3 ARG A 71 18.585 28.549 -15.750 1.00 0.00 H new ATOM 0 HD2 ARG A 71 18.895 28.133 -13.341 1.00 0.00 H new ATOM 0 HD3 ARG A 71 19.016 29.854 -13.038 1.00 0.00 H new ATOM 0 HE ARG A 71 16.568 28.318 -13.591 1.00 0.00 H new ATOM 0 HH11 ARG A 71 18.077 31.528 -13.495 1.00 0.00 H new ATOM 0 HH12 ARG A 71 16.545 32.370 -13.237 1.00 0.00 H new ATOM 0 HH21 ARG A 71 14.605 29.418 -13.248 1.00 0.00 H new ATOM 0 HH22 ARG A 71 14.590 31.178 -13.098 1.00 0.00 H new ATOM 1173 N GLU A 72 20.975 32.020 -16.489 1.00 0.00 N ATOM 1174 CA GLU A 72 20.471 33.328 -16.736 1.00 0.00 C ATOM 1175 C GLU A 72 20.779 33.748 -18.145 1.00 0.00 C ATOM 1176 O GLU A 72 19.960 34.371 -18.807 1.00 0.00 O ATOM 1177 CB GLU A 72 21.069 34.312 -15.748 1.00 0.00 C ATOM 1178 CG GLU A 72 20.406 35.657 -15.786 1.00 0.00 C ATOM 1179 CD GLU A 72 20.964 36.620 -14.768 1.00 0.00 C ATOM 1180 OE1 GLU A 72 21.013 36.262 -13.572 1.00 0.00 O ATOM 1181 OE2 GLU A 72 21.336 37.750 -15.152 1.00 0.00 O ATOM 0 H GLU A 72 21.767 31.990 -15.847 1.00 0.00 H new ATOM 0 HA GLU A 72 19.389 33.318 -16.607 1.00 0.00 H new ATOM 0 HB2 GLU A 72 20.989 33.902 -14.741 1.00 0.00 H new ATOM 0 HB3 GLU A 72 22.132 34.431 -15.960 1.00 0.00 H new ATOM 0 HG2 GLU A 72 20.520 36.084 -16.782 1.00 0.00 H new ATOM 0 HG3 GLU A 72 19.337 35.534 -15.613 1.00 0.00 H new ATOM 1188 N LEU A 73 21.964 33.399 -18.606 1.00 0.00 N ATOM 1189 CA LEU A 73 22.375 33.752 -19.925 1.00 0.00 C ATOM 1190 C LEU A 73 21.529 33.028 -20.954 1.00 0.00 C ATOM 1191 O LEU A 73 21.138 33.611 -21.963 1.00 0.00 O ATOM 1192 CB LEU A 73 23.845 33.431 -20.120 1.00 0.00 C ATOM 1193 CG LEU A 73 24.789 33.965 -19.040 1.00 0.00 C ATOM 1194 CD1 LEU A 73 26.231 33.779 -19.445 1.00 0.00 C ATOM 1195 CD2 LEU A 73 24.491 35.416 -18.706 1.00 0.00 C ATOM 0 H LEU A 73 22.653 32.868 -18.073 1.00 0.00 H new ATOM 0 HA LEU A 73 22.235 34.824 -20.060 1.00 0.00 H new ATOM 0 HB2 LEU A 73 23.958 32.348 -20.172 1.00 0.00 H new ATOM 0 HB3 LEU A 73 24.161 33.831 -21.083 1.00 0.00 H new ATOM 0 HG LEU A 73 24.618 33.384 -18.134 1.00 0.00 H new ATOM 0 HD11 LEU A 73 26.882 34.166 -18.661 1.00 0.00 H new ATOM 0 HD12 LEU A 73 26.433 32.718 -19.593 1.00 0.00 H new ATOM 0 HD13 LEU A 73 26.421 34.318 -20.373 1.00 0.00 H new ATOM 0 HD21 LEU A 73 25.181 35.761 -17.936 1.00 0.00 H new ATOM 0 HD22 LEU A 73 24.611 36.027 -19.601 1.00 0.00 H new ATOM 0 HD23 LEU A 73 23.467 35.503 -18.342 1.00 0.00 H new ATOM 1207 N TYR A 74 21.242 31.754 -20.693 1.00 0.00 N ATOM 1208 CA TYR A 74 20.446 30.955 -21.607 1.00 0.00 C ATOM 1209 C TYR A 74 19.050 31.541 -21.744 1.00 0.00 C ATOM 1210 O TYR A 74 18.547 31.739 -22.847 1.00 0.00 O ATOM 1211 CB TYR A 74 20.376 29.494 -21.153 1.00 0.00 C ATOM 1212 CG TYR A 74 19.771 28.575 -22.203 1.00 0.00 C ATOM 1213 CD1 TYR A 74 20.531 28.142 -23.283 1.00 0.00 C ATOM 1214 CD2 TYR A 74 18.443 28.166 -22.129 1.00 0.00 C ATOM 1215 CE1 TYR A 74 19.990 27.325 -24.258 1.00 0.00 C ATOM 1216 CE2 TYR A 74 17.895 27.344 -23.099 1.00 0.00 C ATOM 1217 CZ TYR A 74 18.675 26.929 -24.163 1.00 0.00 C ATOM 1218 OH TYR A 74 18.130 26.120 -25.138 1.00 0.00 O ATOM 0 H TYR A 74 21.551 31.259 -19.856 1.00 0.00 H new ATOM 0 HA TYR A 74 20.931 30.976 -22.583 1.00 0.00 H new ATOM 0 HB2 TYR A 74 21.380 29.147 -20.909 1.00 0.00 H new ATOM 0 HB3 TYR A 74 19.786 29.431 -20.239 1.00 0.00 H new ATOM 0 HD1 TYR A 74 21.563 28.449 -23.362 1.00 0.00 H new ATOM 0 HD2 TYR A 74 17.831 28.495 -21.302 1.00 0.00 H new ATOM 0 HE1 TYR A 74 20.596 26.999 -25.090 1.00 0.00 H new ATOM 0 HE2 TYR A 74 16.865 27.029 -23.025 1.00 0.00 H new ATOM 0 HH TYR A 74 17.193 25.932 -24.921 1.00 0.00 H new ATOM 1228 N ASP A 75 18.442 31.820 -20.603 1.00 0.00 N ATOM 1229 CA ASP A 75 17.124 32.443 -20.559 1.00 0.00 C ATOM 1230 C ASP A 75 17.135 33.839 -21.168 1.00 0.00 C ATOM 1231 O ASP A 75 16.142 34.275 -21.762 1.00 0.00 O ATOM 1232 CB ASP A 75 16.567 32.484 -19.129 1.00 0.00 C ATOM 1233 CG ASP A 75 15.825 31.216 -18.747 1.00 0.00 C ATOM 1234 OD1 ASP A 75 14.598 31.141 -19.015 1.00 0.00 O ATOM 1235 OD2 ASP A 75 16.445 30.296 -18.177 1.00 0.00 O ATOM 0 H ASP A 75 18.842 31.624 -19.686 1.00 0.00 H new ATOM 0 HA ASP A 75 16.464 31.821 -21.163 1.00 0.00 H new ATOM 0 HB2 ASP A 75 17.388 32.643 -18.429 1.00 0.00 H new ATOM 0 HB3 ASP A 75 15.894 33.336 -19.031 1.00 0.00 H new ATOM 1240 N LYS A 76 18.243 34.546 -21.000 1.00 0.00 N ATOM 1241 CA LYS A 76 18.382 35.895 -21.538 1.00 0.00 C ATOM 1242 C LYS A 76 18.334 35.891 -23.064 1.00 0.00 C ATOM 1243 O LYS A 76 17.597 36.668 -23.676 1.00 0.00 O ATOM 1244 CB LYS A 76 19.682 36.535 -21.053 1.00 0.00 C ATOM 1245 CG LYS A 76 19.908 37.945 -21.562 1.00 0.00 C ATOM 1246 CD LYS A 76 21.228 38.493 -21.079 1.00 0.00 C ATOM 1247 CE LYS A 76 21.455 39.907 -21.569 1.00 0.00 C ATOM 1248 NZ LYS A 76 22.754 40.446 -21.109 1.00 0.00 N ATOM 0 H LYS A 76 19.062 34.208 -20.494 1.00 0.00 H new ATOM 0 HA LYS A 76 17.541 36.485 -21.174 1.00 0.00 H new ATOM 0 HB2 LYS A 76 19.682 36.550 -19.963 1.00 0.00 H new ATOM 0 HB3 LYS A 76 20.519 35.910 -21.363 1.00 0.00 H new ATOM 0 HG2 LYS A 76 19.886 37.949 -22.652 1.00 0.00 H new ATOM 0 HG3 LYS A 76 19.097 38.591 -21.224 1.00 0.00 H new ATOM 0 HD2 LYS A 76 21.253 38.476 -19.989 1.00 0.00 H new ATOM 0 HD3 LYS A 76 22.038 37.852 -21.427 1.00 0.00 H new ATOM 0 HE2 LYS A 76 21.420 39.924 -22.658 1.00 0.00 H new ATOM 0 HE3 LYS A 76 20.649 40.549 -21.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 22.873 41.416 -21.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 22.778 40.453 -20.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 23.525 39.848 -21.469 1.00 0.00 H new ATOM 1262 N GLY A 77 19.096 35.006 -23.668 1.00 0.00 N ATOM 1263 CA GLY A 77 19.132 34.929 -25.105 1.00 0.00 C ATOM 1264 C GLY A 77 20.328 34.160 -25.599 1.00 0.00 C ATOM 1265 O GLY A 77 20.236 33.533 -26.666 1.00 0.00 O ATOM 1266 OXT GLY A 77 21.368 34.178 -24.918 1.00 0.00 O ATOM 0 H GLY A 77 19.694 34.335 -23.187 1.00 0.00 H new ATOM 0 HA2 GLY A 77 18.220 34.452 -25.465 1.00 0.00 H new ATOM 0 HA3 GLY A 77 19.151 35.936 -25.522 1.00 0.00 H new TER 1270 GLY A 77