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 16 THR OG1 : rot 147:sc= -0.259 USER MOD Set 1.2: A 74 TYR OH : rot 180:sc= 0.407 USER MOD Set 2.1: A 11 MET CE :methyl -168:sc= 0 (180deg=-0.174) USER MOD Set 2.2: A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -151:sc=0.000464 (180deg=-0.0417) 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 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.0074) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= -0.424 K(o=-0.42,f=-1.4) 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 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 15 THR OG1 : rot -85:sc= -0.271 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= -0.0547 USER MOD Single : A 24 LYS NZ :NH3+ -167:sc= -0.0398 (180deg=-0.226) USER MOD Single : A 26 ASN : amide:sc= -0.309 K(o=-0.31,f=-3.2!) USER MOD Single : A 28 THR OG1 : rot -170:sc= 0.764 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 171:sc= 0.723 (180deg=0.671) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -168:sc= -0.0472 (180deg=-0.244) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HD1:sc= -0.366 K(o=-0.37,f=-3.4!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= -0.0976 X(o=-0.098,f=-0.098) USER MOD Single : A 50 ASN : amide:sc= -0.585 K(o=-0.59,f=0) USER MOD Single : A 54 LYS NZ :NH3+ -152:sc= 1.25 (180deg=0.199) USER MOD Single : A 56 LYS NZ :NH3+ -162:sc= 1.26 (180deg=1.13) USER MOD Single : A 57 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 59 SER OG : rot -6:sc= 0.988 USER MOD Single : A 60 GLN : amide:sc= -0.0228 K(o=-0.023,f=-1.5) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot -71:sc= 1.28 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ -145:sc= -0.175 (180deg=-1.33) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.273 19.060 -9.850 1.00 0.00 N ATOM 2 CA MET A 1 1.780 20.256 -9.151 1.00 0.00 C ATOM 3 C MET A 1 0.619 21.000 -8.516 1.00 0.00 C ATOM 4 O MET A 1 0.386 20.887 -7.315 1.00 0.00 O ATOM 5 CB MET A 1 2.547 21.171 -10.119 1.00 0.00 C ATOM 6 CG MET A 1 3.835 20.567 -10.667 1.00 0.00 C ATOM 7 SD MET A 1 4.707 21.687 -11.779 1.00 0.00 S ATOM 8 CE MET A 1 5.973 20.602 -12.426 1.00 0.00 C ATOM 0 H1 MET A 1 2.007 18.323 -9.854 1.00 0.00 H new ATOM 0 H2 MET A 1 0.427 18.704 -9.360 1.00 0.00 H new ATOM 0 H3 MET A 1 1.027 19.309 -10.829 1.00 0.00 H new ATOM 0 HA MET A 1 2.474 19.943 -8.371 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.894 21.425 -10.954 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.786 22.103 -9.607 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.490 20.302 -9.837 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.602 19.643 -11.197 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.597 21.151 -13.131 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.590 20.233 -11.606 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.505 19.759 -12.935 1.00 0.00 H new ATOM 20 N GLY A 2 -0.118 21.761 -9.327 1.00 0.00 N ATOM 21 CA GLY A 2 -1.299 22.441 -8.830 1.00 0.00 C ATOM 22 C GLY A 2 -2.370 21.446 -8.441 1.00 0.00 C ATOM 23 O GLY A 2 -3.047 21.607 -7.426 1.00 0.00 O ATOM 0 H GLY A 2 0.083 21.916 -10.315 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -1.035 23.053 -7.968 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -1.684 23.116 -9.595 1.00 0.00 H new ATOM 27 N HIS A 3 -2.517 20.413 -9.256 1.00 0.00 N ATOM 28 CA HIS A 3 -3.460 19.345 -8.984 1.00 0.00 C ATOM 29 C HIS A 3 -2.795 18.253 -8.152 1.00 0.00 C ATOM 30 O HIS A 3 -1.571 18.073 -8.219 1.00 0.00 O ATOM 31 CB HIS A 3 -4.001 18.738 -10.288 1.00 0.00 C ATOM 32 CG HIS A 3 -4.908 19.640 -11.073 1.00 0.00 C ATOM 33 ND1 HIS A 3 -4.497 20.356 -12.176 1.00 0.00 N ATOM 34 CD2 HIS A 3 -6.225 19.918 -10.919 1.00 0.00 C ATOM 35 CE1 HIS A 3 -5.524 21.034 -12.667 1.00 0.00 C ATOM 36 NE2 HIS A 3 -6.582 20.784 -11.923 1.00 0.00 N ATOM 0 H HIS A 3 -1.988 20.294 -10.120 1.00 0.00 H new ATOM 0 HA HIS A 3 -4.294 19.771 -8.426 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -3.158 18.456 -10.918 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -4.541 17.822 -10.049 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -6.875 19.530 -10.148 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -5.498 21.682 -13.531 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -7.514 21.171 -12.069 1.00 0.00 H new ATOM 44 N HIS A 4 -3.595 17.526 -7.377 1.00 0.00 N ATOM 45 CA HIS A 4 -3.084 16.427 -6.551 1.00 0.00 C ATOM 46 C HIS A 4 -2.860 15.175 -7.389 1.00 0.00 C ATOM 47 O HIS A 4 -2.214 14.226 -6.948 1.00 0.00 O ATOM 48 CB HIS A 4 -4.037 16.111 -5.391 1.00 0.00 C ATOM 49 CG HIS A 4 -4.011 17.112 -4.276 1.00 0.00 C ATOM 50 ND1 HIS A 4 -3.353 16.894 -3.084 1.00 0.00 N ATOM 51 CD2 HIS A 4 -4.581 18.335 -4.164 1.00 0.00 C ATOM 52 CE1 HIS A 4 -3.523 17.936 -2.292 1.00 0.00 C ATOM 53 NE2 HIS A 4 -4.262 18.823 -2.923 1.00 0.00 N ATOM 0 H HIS A 4 -4.601 17.675 -7.301 1.00 0.00 H new ATOM 0 HA HIS A 4 -2.129 16.750 -6.136 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -5.053 16.045 -5.780 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -3.786 15.130 -4.988 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -5.177 18.834 -4.914 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -3.123 18.043 -1.294 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -4.551 19.727 -2.550 1.00 0.00 H new ATOM 61 N HIS A 5 -3.395 15.176 -8.593 1.00 0.00 N ATOM 62 CA HIS A 5 -3.243 14.045 -9.487 1.00 0.00 C ATOM 63 C HIS A 5 -2.252 14.374 -10.572 1.00 0.00 C ATOM 64 O HIS A 5 -2.136 15.527 -10.988 1.00 0.00 O ATOM 65 CB HIS A 5 -4.578 13.645 -10.117 1.00 0.00 C ATOM 66 CG HIS A 5 -5.560 13.076 -9.151 1.00 0.00 C ATOM 67 ND1 HIS A 5 -6.774 13.668 -8.885 1.00 0.00 N ATOM 68 CD2 HIS A 5 -5.520 11.951 -8.397 1.00 0.00 C ATOM 69 CE1 HIS A 5 -7.436 12.936 -8.009 1.00 0.00 C ATOM 70 NE2 HIS A 5 -6.699 11.891 -7.698 1.00 0.00 N ATOM 0 H HIS A 5 -3.940 15.949 -8.976 1.00 0.00 H new ATOM 0 HA HIS A 5 -2.878 13.203 -8.898 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -5.019 14.520 -10.594 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -4.392 12.913 -10.903 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -4.712 11.236 -8.354 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -8.417 13.157 -7.614 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -6.962 11.155 -7.043 1.00 0.00 H new ATOM 78 N HIS A 6 -1.529 13.374 -11.021 1.00 0.00 N ATOM 79 CA HIS A 6 -0.547 13.569 -12.064 1.00 0.00 C ATOM 80 C HIS A 6 -1.157 13.316 -13.424 1.00 0.00 C ATOM 81 O HIS A 6 -1.661 12.221 -13.704 1.00 0.00 O ATOM 82 CB HIS A 6 0.673 12.672 -11.855 1.00 0.00 C ATOM 83 CG HIS A 6 1.512 13.062 -10.682 1.00 0.00 C ATOM 84 ND1 HIS A 6 2.580 13.929 -10.772 1.00 0.00 N ATOM 85 CD2 HIS A 6 1.434 12.704 -9.379 1.00 0.00 C ATOM 86 CE1 HIS A 6 3.125 14.082 -9.580 1.00 0.00 C ATOM 87 NE2 HIS A 6 2.447 13.352 -8.720 1.00 0.00 N ATOM 0 H HIS A 6 -1.602 12.415 -10.680 1.00 0.00 H new ATOM 0 HA HIS A 6 -0.215 14.606 -12.016 1.00 0.00 H new ATOM 0 HB2 HIS A 6 0.338 11.643 -11.725 1.00 0.00 H new ATOM 0 HB3 HIS A 6 1.288 12.695 -12.754 1.00 0.00 H new ATOM 0 HD2 HIS A 6 0.710 12.034 -8.941 1.00 0.00 H new ATOM 0 HE1 HIS A 6 3.980 14.700 -9.350 1.00 0.00 H new ATOM 0 HE2 HIS A 6 2.644 13.280 -7.722 1.00 0.00 H new ATOM 95 N HIS A 7 -1.121 14.332 -14.261 1.00 0.00 N ATOM 96 CA HIS A 7 -1.657 14.242 -15.604 1.00 0.00 C ATOM 97 C HIS A 7 -0.784 13.334 -16.453 1.00 0.00 C ATOM 98 O HIS A 7 0.439 13.472 -16.467 1.00 0.00 O ATOM 99 CB HIS A 7 -1.748 15.643 -16.230 1.00 0.00 C ATOM 100 CG HIS A 7 -2.345 15.672 -17.609 1.00 0.00 C ATOM 101 ND1 HIS A 7 -1.585 15.648 -18.754 1.00 0.00 N ATOM 102 CD2 HIS A 7 -3.635 15.735 -18.018 1.00 0.00 C ATOM 103 CE1 HIS A 7 -2.379 15.695 -19.809 1.00 0.00 C ATOM 104 NE2 HIS A 7 -3.626 15.748 -19.393 1.00 0.00 N ATOM 0 H HIS A 7 -0.721 15.241 -14.031 1.00 0.00 H new ATOM 0 HA HIS A 7 -2.660 13.817 -15.560 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -2.343 16.281 -15.577 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -0.748 16.074 -16.272 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -4.508 15.769 -17.383 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -2.058 15.691 -20.840 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -4.451 15.792 -19.992 1.00 0.00 H new ATOM 112 N HIS A 8 -1.409 12.410 -17.151 1.00 0.00 N ATOM 113 CA HIS A 8 -0.680 11.480 -17.987 1.00 0.00 C ATOM 114 C HIS A 8 -0.398 12.086 -19.347 1.00 0.00 C ATOM 115 O HIS A 8 -1.289 12.186 -20.203 1.00 0.00 O ATOM 116 CB HIS A 8 -1.433 10.155 -18.131 1.00 0.00 C ATOM 117 CG HIS A 8 -1.481 9.351 -16.867 1.00 0.00 C ATOM 118 ND1 HIS A 8 -0.582 8.339 -16.580 1.00 0.00 N ATOM 119 CD2 HIS A 8 -2.322 9.408 -15.803 1.00 0.00 C ATOM 120 CE1 HIS A 8 -0.870 7.817 -15.399 1.00 0.00 C ATOM 121 NE2 HIS A 8 -1.913 8.445 -14.910 1.00 0.00 N ATOM 0 H HIS A 8 -2.421 12.283 -17.156 1.00 0.00 H new ATOM 0 HA HIS A 8 0.273 11.272 -17.500 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -2.452 10.360 -18.460 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -0.959 9.560 -18.912 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -3.156 10.083 -15.681 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -0.337 7.010 -14.919 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -2.351 8.250 -14.010 1.00 0.00 H new ATOM 129 N SER A 9 0.839 12.496 -19.535 1.00 0.00 N ATOM 130 CA SER A 9 1.276 13.108 -20.767 1.00 0.00 C ATOM 131 C SER A 9 2.683 12.641 -21.100 1.00 0.00 C ATOM 132 O SER A 9 3.640 12.970 -20.400 1.00 0.00 O ATOM 133 CB SER A 9 1.230 14.640 -20.655 1.00 0.00 C ATOM 134 OG SER A 9 1.580 15.267 -21.885 1.00 0.00 O ATOM 0 H SER A 9 1.572 12.412 -18.831 1.00 0.00 H new ATOM 0 HA SER A 9 0.603 12.807 -21.570 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.229 14.954 -20.358 1.00 0.00 H new ATOM 0 HB3 SER A 9 1.913 14.969 -19.871 1.00 0.00 H new ATOM 0 HG SER A 9 1.539 16.240 -21.779 1.00 0.00 H new ATOM 140 N HIS A 10 2.803 11.855 -22.149 1.00 0.00 N ATOM 141 CA HIS A 10 4.098 11.344 -22.572 1.00 0.00 C ATOM 142 C HIS A 10 4.543 12.043 -23.841 1.00 0.00 C ATOM 143 O HIS A 10 5.587 11.732 -24.408 1.00 0.00 O ATOM 144 CB HIS A 10 4.040 9.825 -22.782 1.00 0.00 C ATOM 145 CG HIS A 10 3.731 9.071 -21.524 1.00 0.00 C ATOM 146 ND1 HIS A 10 4.697 8.638 -20.641 1.00 0.00 N ATOM 147 CD2 HIS A 10 2.545 8.687 -20.991 1.00 0.00 C ATOM 148 CE1 HIS A 10 4.119 8.023 -19.624 1.00 0.00 C ATOM 149 NE2 HIS A 10 2.815 8.038 -19.815 1.00 0.00 N ATOM 0 H HIS A 10 2.020 11.553 -22.728 1.00 0.00 H new ATOM 0 HA HIS A 10 4.826 11.548 -21.787 1.00 0.00 H new ATOM 0 HB2 HIS A 10 3.282 9.596 -23.532 1.00 0.00 H new ATOM 0 HB3 HIS A 10 4.995 9.482 -23.179 1.00 0.00 H new ATOM 0 HD2 HIS A 10 1.567 8.861 -21.415 1.00 0.00 H new ATOM 0 HE1 HIS A 10 4.629 7.583 -18.780 1.00 0.00 H new ATOM 0 HE2 HIS A 10 2.120 7.632 -19.189 1.00 0.00 H new ATOM 157 N MET A 11 3.735 12.991 -24.277 1.00 0.00 N ATOM 158 CA MET A 11 4.022 13.753 -25.472 1.00 0.00 C ATOM 159 C MET A 11 4.937 14.912 -25.140 1.00 0.00 C ATOM 160 O MET A 11 4.784 15.547 -24.098 1.00 0.00 O ATOM 161 CB MET A 11 2.721 14.260 -26.103 1.00 0.00 C ATOM 162 CG MET A 11 1.837 13.153 -26.655 1.00 0.00 C ATOM 163 SD MET A 11 0.304 13.772 -27.377 1.00 0.00 S ATOM 164 CE MET A 11 -0.595 14.266 -25.906 1.00 0.00 C ATOM 0 H MET A 11 2.865 13.252 -23.813 1.00 0.00 H new ATOM 0 HA MET A 11 4.525 13.107 -26.191 1.00 0.00 H new ATOM 0 HB2 MET A 11 2.160 14.822 -25.356 1.00 0.00 H new ATOM 0 HB3 MET A 11 2.964 14.954 -26.908 1.00 0.00 H new ATOM 0 HG2 MET A 11 2.390 12.597 -27.412 1.00 0.00 H new ATOM 0 HG3 MET A 11 1.599 12.452 -25.855 1.00 0.00 H new ATOM 0 HE1 MET A 11 -1.634 14.468 -26.165 1.00 0.00 H new ATOM 0 HE2 MET A 11 -0.554 13.465 -25.168 1.00 0.00 H new ATOM 0 HE3 MET A 11 -0.144 15.166 -25.489 1.00 0.00 H new ATOM 174 N VAL A 12 5.879 15.190 -26.020 1.00 0.00 N ATOM 175 CA VAL A 12 6.834 16.258 -25.786 1.00 0.00 C ATOM 176 C VAL A 12 6.283 17.579 -26.287 1.00 0.00 C ATOM 177 O VAL A 12 6.160 17.797 -27.492 1.00 0.00 O ATOM 178 CB VAL A 12 8.206 15.975 -26.464 1.00 0.00 C ATOM 179 CG1 VAL A 12 9.194 17.087 -26.168 1.00 0.00 C ATOM 180 CG2 VAL A 12 8.763 14.638 -26.011 1.00 0.00 C ATOM 0 H VAL A 12 6.004 14.693 -26.902 1.00 0.00 H new ATOM 0 HA VAL A 12 6.996 16.312 -24.709 1.00 0.00 H new ATOM 0 HB VAL A 12 8.047 15.936 -27.542 1.00 0.00 H new ATOM 0 HG11 VAL A 12 10.145 16.867 -26.652 1.00 0.00 H new ATOM 0 HG12 VAL A 12 8.803 18.031 -26.548 1.00 0.00 H new ATOM 0 HG13 VAL A 12 9.344 17.163 -25.091 1.00 0.00 H new ATOM 0 HG21 VAL A 12 9.722 14.460 -26.497 1.00 0.00 H new ATOM 0 HG22 VAL A 12 8.900 14.649 -24.930 1.00 0.00 H new ATOM 0 HG23 VAL A 12 8.067 13.844 -26.281 1.00 0.00 H new ATOM 190 N LYS A 13 5.942 18.456 -25.362 1.00 0.00 N ATOM 191 CA LYS A 13 5.396 19.741 -25.713 1.00 0.00 C ATOM 192 C LYS A 13 6.108 20.836 -24.952 1.00 0.00 C ATOM 193 O LYS A 13 5.801 21.081 -23.783 1.00 0.00 O ATOM 194 CB LYS A 13 3.899 19.797 -25.410 1.00 0.00 C ATOM 195 CG LYS A 13 3.062 18.812 -26.203 1.00 0.00 C ATOM 196 CD LYS A 13 1.589 18.969 -25.873 1.00 0.00 C ATOM 197 CE LYS A 13 0.728 18.001 -26.661 1.00 0.00 C ATOM 198 NZ LYS A 13 -0.719 18.162 -26.345 1.00 0.00 N ATOM 0 H LYS A 13 6.036 18.295 -24.359 1.00 0.00 H new ATOM 0 HA LYS A 13 5.542 19.890 -26.783 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.749 19.609 -24.347 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.538 20.806 -25.610 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.219 18.970 -27.270 1.00 0.00 H new ATOM 0 HG3 LYS A 13 3.383 17.794 -25.981 1.00 0.00 H new ATOM 0 HD2 LYS A 13 1.436 18.805 -24.806 1.00 0.00 H new ATOM 0 HD3 LYS A 13 1.276 19.991 -26.087 1.00 0.00 H new ATOM 0 HE2 LYS A 13 0.887 18.159 -27.728 1.00 0.00 H new ATOM 0 HE3 LYS A 13 1.036 16.979 -26.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -1.274 17.483 -26.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -0.875 17.986 -25.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -1.020 19.130 -26.579 1.00 0.00 H new ATOM 212 N GLU A 14 7.064 21.477 -25.609 1.00 0.00 N ATOM 213 CA GLU A 14 7.829 22.567 -25.012 1.00 0.00 C ATOM 214 C GLU A 14 8.677 22.051 -23.846 1.00 0.00 C ATOM 215 O GLU A 14 8.794 22.688 -22.791 1.00 0.00 O ATOM 216 CB GLU A 14 6.893 23.681 -24.552 1.00 0.00 C ATOM 217 CG GLU A 14 7.599 24.932 -24.073 1.00 0.00 C ATOM 218 CD GLU A 14 6.639 25.955 -23.514 1.00 0.00 C ATOM 219 OE1 GLU A 14 6.080 26.744 -24.296 1.00 0.00 O ATOM 220 OE2 GLU A 14 6.423 25.958 -22.288 1.00 0.00 O ATOM 0 H GLU A 14 7.332 21.258 -26.569 1.00 0.00 H new ATOM 0 HA GLU A 14 8.502 22.975 -25.766 1.00 0.00 H new ATOM 0 HB2 GLU A 14 6.230 23.945 -25.376 1.00 0.00 H new ATOM 0 HB3 GLU A 14 6.265 23.302 -23.746 1.00 0.00 H new ATOM 0 HG2 GLU A 14 8.327 24.665 -23.308 1.00 0.00 H new ATOM 0 HG3 GLU A 14 8.154 25.373 -24.901 1.00 0.00 H new ATOM 227 N THR A 15 9.280 20.912 -24.043 1.00 0.00 N ATOM 228 CA THR A 15 10.096 20.344 -23.033 1.00 0.00 C ATOM 229 C THR A 15 11.490 20.927 -23.088 1.00 0.00 C ATOM 230 O THR A 15 12.265 20.663 -24.010 1.00 0.00 O ATOM 231 CB THR A 15 10.169 18.843 -23.176 1.00 0.00 C ATOM 232 OG1 THR A 15 8.862 18.268 -23.047 1.00 0.00 O ATOM 233 CG2 THR A 15 11.105 18.240 -22.158 1.00 0.00 C ATOM 0 H THR A 15 9.215 20.365 -24.901 1.00 0.00 H new ATOM 0 HA THR A 15 9.645 20.582 -22.069 1.00 0.00 H new ATOM 0 HB THR A 15 10.561 18.620 -24.168 1.00 0.00 H new ATOM 0 HG1 THR A 15 8.656 18.134 -22.098 1.00 0.00 H new ATOM 0 HG21 THR A 15 11.135 17.158 -22.287 1.00 0.00 H new ATOM 0 HG22 THR A 15 12.105 18.650 -22.296 1.00 0.00 H new ATOM 0 HG23 THR A 15 10.751 18.475 -21.154 1.00 0.00 H new ATOM 241 N THR A 16 11.784 21.722 -22.113 1.00 0.00 N ATOM 242 CA THR A 16 13.070 22.348 -22.006 1.00 0.00 C ATOM 243 C THR A 16 13.884 21.720 -20.887 1.00 0.00 C ATOM 244 O THR A 16 13.454 20.753 -20.280 1.00 0.00 O ATOM 245 CB THR A 16 12.951 23.885 -21.825 1.00 0.00 C ATOM 246 OG1 THR A 16 14.246 24.492 -21.778 1.00 0.00 O ATOM 247 CG2 THR A 16 12.177 24.232 -20.563 1.00 0.00 C ATOM 0 H THR A 16 11.138 21.960 -21.361 1.00 0.00 H new ATOM 0 HA THR A 16 13.598 22.179 -22.945 1.00 0.00 H new ATOM 0 HB THR A 16 12.406 24.274 -22.685 1.00 0.00 H new ATOM 0 HG1 THR A 16 14.203 25.386 -22.177 1.00 0.00 H new ATOM 0 HG21 THR A 16 12.110 25.315 -20.463 1.00 0.00 H new ATOM 0 HG22 THR A 16 11.174 23.811 -20.624 1.00 0.00 H new ATOM 0 HG23 THR A 16 12.692 23.819 -19.695 1.00 0.00 H new ATOM 255 N TYR A 17 15.046 22.284 -20.613 1.00 0.00 N ATOM 256 CA TYR A 17 15.930 21.771 -19.572 1.00 0.00 C ATOM 257 C TYR A 17 15.230 21.755 -18.234 1.00 0.00 C ATOM 258 O TYR A 17 15.455 20.866 -17.422 1.00 0.00 O ATOM 259 CB TYR A 17 17.213 22.601 -19.489 1.00 0.00 C ATOM 260 CG TYR A 17 18.151 22.394 -20.663 1.00 0.00 C ATOM 261 CD1 TYR A 17 18.559 21.118 -21.039 1.00 0.00 C ATOM 262 CD2 TYR A 17 18.616 23.470 -21.401 1.00 0.00 C ATOM 263 CE1 TYR A 17 19.407 20.924 -22.115 1.00 0.00 C ATOM 264 CE2 TYR A 17 19.462 23.287 -22.478 1.00 0.00 C ATOM 265 CZ TYR A 17 19.854 22.013 -22.832 1.00 0.00 C ATOM 266 OH TYR A 17 20.698 21.826 -23.905 1.00 0.00 O ATOM 0 H TYR A 17 15.406 23.105 -21.100 1.00 0.00 H new ATOM 0 HA TYR A 17 16.198 20.748 -19.835 1.00 0.00 H new ATOM 0 HB2 TYR A 17 16.949 23.657 -19.428 1.00 0.00 H new ATOM 0 HB3 TYR A 17 17.738 22.350 -18.567 1.00 0.00 H new ATOM 0 HD1 TYR A 17 18.207 20.263 -20.481 1.00 0.00 H new ATOM 0 HD2 TYR A 17 18.312 24.470 -21.130 1.00 0.00 H new ATOM 0 HE1 TYR A 17 19.716 19.927 -22.391 1.00 0.00 H new ATOM 0 HE2 TYR A 17 19.815 24.139 -23.041 1.00 0.00 H new ATOM 0 HH TYR A 17 20.919 22.694 -24.303 1.00 0.00 H new ATOM 276 N TYR A 18 14.362 22.721 -18.022 1.00 0.00 N ATOM 277 CA TYR A 18 13.609 22.800 -16.810 1.00 0.00 C ATOM 278 C TYR A 18 12.616 21.649 -16.755 1.00 0.00 C ATOM 279 O TYR A 18 12.436 21.024 -15.719 1.00 0.00 O ATOM 280 CB TYR A 18 12.874 24.126 -16.760 1.00 0.00 C ATOM 281 CG TYR A 18 13.754 25.348 -16.566 1.00 0.00 C ATOM 282 CD1 TYR A 18 14.766 25.675 -17.477 1.00 0.00 C ATOM 283 CD2 TYR A 18 13.542 26.200 -15.499 1.00 0.00 C ATOM 284 CE1 TYR A 18 15.527 26.815 -17.308 1.00 0.00 C ATOM 285 CE2 TYR A 18 14.303 27.333 -15.324 1.00 0.00 C ATOM 286 CZ TYR A 18 15.290 27.639 -16.230 1.00 0.00 C ATOM 287 OH TYR A 18 16.038 28.773 -16.059 1.00 0.00 O ATOM 0 H TYR A 18 14.166 23.467 -18.689 1.00 0.00 H new ATOM 0 HA TYR A 18 14.280 22.732 -15.954 1.00 0.00 H new ATOM 0 HB2 TYR A 18 12.312 24.246 -17.686 1.00 0.00 H new ATOM 0 HB3 TYR A 18 12.147 24.089 -15.949 1.00 0.00 H new ATOM 0 HD1 TYR A 18 14.954 25.028 -18.321 1.00 0.00 H new ATOM 0 HD2 TYR A 18 12.762 25.972 -14.787 1.00 0.00 H new ATOM 0 HE1 TYR A 18 16.304 27.059 -18.017 1.00 0.00 H new ATOM 0 HE2 TYR A 18 14.125 27.980 -14.477 1.00 0.00 H new ATOM 0 HH TYR A 18 15.742 29.241 -15.251 1.00 0.00 H new ATOM 297 N ASP A 19 11.995 21.373 -17.893 1.00 0.00 N ATOM 298 CA ASP A 19 11.036 20.285 -18.012 1.00 0.00 C ATOM 299 C ASP A 19 11.727 18.931 -17.849 1.00 0.00 C ATOM 300 O ASP A 19 11.217 18.039 -17.174 1.00 0.00 O ATOM 301 CB ASP A 19 10.320 20.356 -19.366 1.00 0.00 C ATOM 302 CG ASP A 19 9.106 19.444 -19.417 1.00 0.00 C ATOM 303 OD1 ASP A 19 8.021 19.884 -18.991 1.00 0.00 O ATOM 304 OD2 ASP A 19 9.232 18.286 -19.866 1.00 0.00 O ATOM 0 H ASP A 19 12.141 21.895 -18.757 1.00 0.00 H new ATOM 0 HA ASP A 19 10.298 20.390 -17.216 1.00 0.00 H new ATOM 0 HB2 ASP A 19 10.010 21.383 -19.559 1.00 0.00 H new ATOM 0 HB3 ASP A 19 11.015 20.079 -20.159 1.00 0.00 H new ATOM 309 N VAL A 20 12.898 18.798 -18.463 1.00 0.00 N ATOM 310 CA VAL A 20 13.704 17.579 -18.376 1.00 0.00 C ATOM 311 C VAL A 20 14.100 17.314 -16.932 1.00 0.00 C ATOM 312 O VAL A 20 14.057 16.182 -16.447 1.00 0.00 O ATOM 313 CB VAL A 20 14.983 17.688 -19.234 1.00 0.00 C ATOM 314 CG1 VAL A 20 15.790 16.415 -19.172 1.00 0.00 C ATOM 315 CG2 VAL A 20 14.640 18.018 -20.664 1.00 0.00 C ATOM 0 H VAL A 20 13.318 19.530 -19.036 1.00 0.00 H new ATOM 0 HA VAL A 20 13.097 16.756 -18.753 1.00 0.00 H new ATOM 0 HB VAL A 20 15.589 18.497 -18.825 1.00 0.00 H new ATOM 0 HG11 VAL A 20 16.685 16.521 -19.786 1.00 0.00 H new ATOM 0 HG12 VAL A 20 16.079 16.217 -18.140 1.00 0.00 H new ATOM 0 HG13 VAL A 20 15.190 15.585 -19.546 1.00 0.00 H new ATOM 0 HG21 VAL A 20 15.556 18.090 -21.251 1.00 0.00 H new ATOM 0 HG22 VAL A 20 14.006 17.233 -21.076 1.00 0.00 H new ATOM 0 HG23 VAL A 20 14.110 18.970 -20.701 1.00 0.00 H new ATOM 325 N LEU A 21 14.471 18.382 -16.249 1.00 0.00 N ATOM 326 CA LEU A 21 14.911 18.298 -14.862 1.00 0.00 C ATOM 327 C LEU A 21 13.691 18.270 -13.937 1.00 0.00 C ATOM 328 O LEU A 21 13.810 18.029 -12.738 1.00 0.00 O ATOM 329 CB LEU A 21 15.804 19.506 -14.528 1.00 0.00 C ATOM 330 CG LEU A 21 16.792 19.321 -13.374 1.00 0.00 C ATOM 331 CD1 LEU A 21 17.865 18.309 -13.742 1.00 0.00 C ATOM 332 CD2 LEU A 21 17.423 20.646 -12.989 1.00 0.00 C ATOM 0 H LEU A 21 14.477 19.327 -16.634 1.00 0.00 H new ATOM 0 HA LEU A 21 15.486 17.383 -14.717 1.00 0.00 H new ATOM 0 HB2 LEU A 21 16.368 19.772 -15.422 1.00 0.00 H new ATOM 0 HB3 LEU A 21 15.160 20.353 -14.294 1.00 0.00 H new ATOM 0 HG LEU A 21 16.241 18.941 -12.514 1.00 0.00 H new ATOM 0 HD11 LEU A 21 18.557 18.193 -12.908 1.00 0.00 H new ATOM 0 HD12 LEU A 21 17.399 17.349 -13.964 1.00 0.00 H new ATOM 0 HD13 LEU A 21 18.410 18.659 -14.619 1.00 0.00 H new ATOM 0 HD21 LEU A 21 18.122 20.491 -12.167 1.00 0.00 H new ATOM 0 HD22 LEU A 21 17.956 21.058 -13.846 1.00 0.00 H new ATOM 0 HD23 LEU A 21 16.645 21.343 -12.677 1.00 0.00 H new ATOM 344 N GLY A 22 12.518 18.489 -14.526 1.00 0.00 N ATOM 345 CA GLY A 22 11.279 18.453 -13.784 1.00 0.00 C ATOM 346 C GLY A 22 11.189 19.545 -12.746 1.00 0.00 C ATOM 347 O GLY A 22 10.662 19.328 -11.652 1.00 0.00 O ATOM 0 H GLY A 22 12.409 18.693 -15.519 1.00 0.00 H new ATOM 0 HA2 GLY A 22 10.443 18.546 -14.477 1.00 0.00 H new ATOM 0 HA3 GLY A 22 11.181 17.484 -13.295 1.00 0.00 H new ATOM 351 N VAL A 23 11.679 20.722 -13.080 1.00 0.00 N ATOM 352 CA VAL A 23 11.707 21.804 -12.136 1.00 0.00 C ATOM 353 C VAL A 23 10.925 23.009 -12.668 1.00 0.00 C ATOM 354 O VAL A 23 10.641 23.097 -13.859 1.00 0.00 O ATOM 355 CB VAL A 23 13.167 22.205 -11.803 1.00 0.00 C ATOM 356 CG1 VAL A 23 13.660 23.338 -12.681 1.00 0.00 C ATOM 357 CG2 VAL A 23 13.331 22.522 -10.325 1.00 0.00 C ATOM 0 H VAL A 23 12.061 20.946 -13.999 1.00 0.00 H new ATOM 0 HA VAL A 23 11.228 21.465 -11.218 1.00 0.00 H new ATOM 0 HB VAL A 23 13.796 21.343 -12.023 1.00 0.00 H new ATOM 0 HG11 VAL A 23 14.687 23.586 -12.413 1.00 0.00 H new ATOM 0 HG12 VAL A 23 13.622 23.031 -13.726 1.00 0.00 H new ATOM 0 HG13 VAL A 23 13.026 24.213 -12.536 1.00 0.00 H new ATOM 0 HG21 VAL A 23 14.366 22.799 -10.125 1.00 0.00 H new ATOM 0 HG22 VAL A 23 12.675 23.350 -10.055 1.00 0.00 H new ATOM 0 HG23 VAL A 23 13.070 21.644 -9.734 1.00 0.00 H new ATOM 367 N LYS A 24 10.580 23.921 -11.778 1.00 0.00 N ATOM 368 CA LYS A 24 9.807 25.093 -12.138 1.00 0.00 C ATOM 369 C LYS A 24 10.723 26.191 -12.690 1.00 0.00 C ATOM 370 O LYS A 24 11.920 26.216 -12.401 1.00 0.00 O ATOM 371 CB LYS A 24 9.025 25.623 -10.920 1.00 0.00 C ATOM 372 CG LYS A 24 7.954 24.669 -10.362 1.00 0.00 C ATOM 373 CD LYS A 24 8.569 23.457 -9.668 1.00 0.00 C ATOM 374 CE LYS A 24 7.505 22.542 -9.089 1.00 0.00 C ATOM 375 NZ LYS A 24 6.705 23.218 -8.035 1.00 0.00 N ATOM 0 H LYS A 24 10.827 23.870 -10.790 1.00 0.00 H new ATOM 0 HA LYS A 24 9.095 24.806 -12.912 1.00 0.00 H new ATOM 0 HB2 LYS A 24 9.734 25.852 -10.125 1.00 0.00 H new ATOM 0 HB3 LYS A 24 8.544 26.561 -11.198 1.00 0.00 H new ATOM 0 HG2 LYS A 24 7.322 25.208 -9.656 1.00 0.00 H new ATOM 0 HG3 LYS A 24 7.310 24.333 -11.175 1.00 0.00 H new ATOM 0 HD2 LYS A 24 9.179 22.901 -10.380 1.00 0.00 H new ATOM 0 HD3 LYS A 24 9.234 23.792 -8.872 1.00 0.00 H new ATOM 0 HE2 LYS A 24 6.843 22.205 -9.887 1.00 0.00 H new ATOM 0 HE3 LYS A 24 7.979 21.654 -8.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 6.146 22.511 -7.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 7.343 23.708 -7.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 6.065 23.910 -8.475 1.00 0.00 H new ATOM 389 N PRO A 25 10.161 27.117 -13.474 1.00 0.00 N ATOM 390 CA PRO A 25 10.919 28.221 -14.085 1.00 0.00 C ATOM 391 C PRO A 25 11.483 29.197 -13.047 1.00 0.00 C ATOM 392 O PRO A 25 12.383 29.975 -13.346 1.00 0.00 O ATOM 393 CB PRO A 25 9.878 28.941 -14.952 1.00 0.00 C ATOM 394 CG PRO A 25 8.763 27.966 -15.114 1.00 0.00 C ATOM 395 CD PRO A 25 8.750 27.150 -13.856 1.00 0.00 C ATOM 0 HA PRO A 25 11.782 27.848 -14.637 1.00 0.00 H new ATOM 0 HB2 PRO A 25 9.533 29.858 -14.474 1.00 0.00 H new ATOM 0 HB3 PRO A 25 10.297 29.224 -15.918 1.00 0.00 H new ATOM 0 HG2 PRO A 25 7.812 28.479 -15.257 1.00 0.00 H new ATOM 0 HG3 PRO A 25 8.919 27.334 -15.989 1.00 0.00 H new ATOM 0 HD2 PRO A 25 8.133 27.608 -13.083 1.00 0.00 H new ATOM 0 HD3 PRO A 25 8.354 26.149 -14.028 1.00 0.00 H new ATOM 403 N ASN A 26 10.962 29.137 -11.828 1.00 0.00 N ATOM 404 CA ASN A 26 11.372 30.044 -10.773 1.00 0.00 C ATOM 405 C ASN A 26 12.134 29.295 -9.694 1.00 0.00 C ATOM 406 O ASN A 26 12.338 29.806 -8.592 1.00 0.00 O ATOM 407 CB ASN A 26 10.146 30.770 -10.173 1.00 0.00 C ATOM 408 CG ASN A 26 9.069 29.826 -9.637 1.00 0.00 C ATOM 409 OD1 ASN A 26 9.328 28.667 -9.324 1.00 0.00 O ATOM 410 ND2 ASN A 26 7.850 30.326 -9.520 1.00 0.00 N ATOM 0 H ASN A 26 10.250 28.463 -11.548 1.00 0.00 H new ATOM 0 HA ASN A 26 12.036 30.795 -11.202 1.00 0.00 H new ATOM 0 HB2 ASN A 26 10.481 31.420 -9.365 1.00 0.00 H new ATOM 0 HB3 ASN A 26 9.706 31.411 -10.937 1.00 0.00 H new ATOM 0 HD21 ASN A 26 7.093 29.745 -9.161 1.00 0.00 H new ATOM 0 HD22 ASN A 26 7.667 31.293 -9.789 1.00 0.00 H new ATOM 417 N ALA A 27 12.563 28.085 -10.018 1.00 0.00 N ATOM 418 CA ALA A 27 13.252 27.253 -9.074 1.00 0.00 C ATOM 419 C ALA A 27 14.631 27.804 -8.736 1.00 0.00 C ATOM 420 O ALA A 27 15.326 28.350 -9.593 1.00 0.00 O ATOM 421 CB ALA A 27 13.341 25.852 -9.612 1.00 0.00 C ATOM 0 H ALA A 27 12.439 27.664 -10.939 1.00 0.00 H new ATOM 0 HA ALA A 27 12.684 27.241 -8.144 1.00 0.00 H new ATOM 0 HB1 ALA A 27 13.864 25.220 -8.895 1.00 0.00 H new ATOM 0 HB2 ALA A 27 12.337 25.461 -9.776 1.00 0.00 H new ATOM 0 HB3 ALA A 27 13.886 25.859 -10.556 1.00 0.00 H new ATOM 427 N THR A 28 15.005 27.651 -7.484 1.00 0.00 N ATOM 428 CA THR A 28 16.262 28.156 -6.967 1.00 0.00 C ATOM 429 C THR A 28 17.388 27.229 -7.249 1.00 0.00 C ATOM 430 O THR A 28 17.188 26.118 -7.705 1.00 0.00 O ATOM 431 CB THR A 28 16.178 28.341 -5.448 1.00 0.00 C ATOM 432 OG1 THR A 28 16.060 27.063 -4.808 1.00 0.00 O ATOM 433 CG2 THR A 28 14.976 29.143 -5.119 1.00 0.00 C ATOM 0 H THR A 28 14.439 27.167 -6.787 1.00 0.00 H new ATOM 0 HA THR A 28 16.445 29.108 -7.464 1.00 0.00 H new ATOM 0 HB THR A 28 17.079 28.847 -5.101 1.00 0.00 H new ATOM 0 HG1 THR A 28 15.849 27.190 -3.860 1.00 0.00 H new ATOM 0 HG21 THR A 28 14.912 29.277 -4.039 1.00 0.00 H new ATOM 0 HG22 THR A 28 15.045 30.118 -5.602 1.00 0.00 H new ATOM 0 HG23 THR A 28 14.085 28.625 -5.473 1.00 0.00 H new ATOM 441 N GLN A 29 18.575 27.704 -6.980 1.00 0.00 N ATOM 442 CA GLN A 29 19.769 26.893 -7.066 1.00 0.00 C ATOM 443 C GLN A 29 19.599 25.632 -6.219 1.00 0.00 C ATOM 444 O GLN A 29 19.996 24.531 -6.618 1.00 0.00 O ATOM 445 CB GLN A 29 20.959 27.698 -6.567 1.00 0.00 C ATOM 446 CG GLN A 29 22.273 26.936 -6.560 1.00 0.00 C ATOM 447 CD GLN A 29 23.413 27.743 -5.970 1.00 0.00 C ATOM 448 OE1 GLN A 29 23.433 28.971 -6.052 1.00 0.00 O ATOM 449 NE2 GLN A 29 24.367 27.060 -5.360 1.00 0.00 N ATOM 0 H GLN A 29 18.746 28.668 -6.693 1.00 0.00 H new ATOM 0 HA GLN A 29 19.939 26.601 -8.102 1.00 0.00 H new ATOM 0 HB2 GLN A 29 21.070 28.584 -7.192 1.00 0.00 H new ATOM 0 HB3 GLN A 29 20.749 28.045 -5.555 1.00 0.00 H new ATOM 0 HG2 GLN A 29 22.151 26.015 -5.989 1.00 0.00 H new ATOM 0 HG3 GLN A 29 22.527 26.648 -7.580 1.00 0.00 H new ATOM 0 HE21 GLN A 29 24.315 26.042 -5.313 1.00 0.00 H new ATOM 0 HE22 GLN A 29 25.155 27.551 -4.937 1.00 0.00 H new ATOM 458 N GLU A 30 18.989 25.811 -5.058 1.00 0.00 N ATOM 459 CA GLU A 30 18.727 24.721 -4.138 1.00 0.00 C ATOM 460 C GLU A 30 17.697 23.778 -4.752 1.00 0.00 C ATOM 461 O GLU A 30 17.812 22.558 -4.661 1.00 0.00 O ATOM 462 CB GLU A 30 18.190 25.284 -2.820 1.00 0.00 C ATOM 463 CG GLU A 30 18.058 24.257 -1.694 1.00 0.00 C ATOM 464 CD GLU A 30 19.393 23.700 -1.237 1.00 0.00 C ATOM 465 OE1 GLU A 30 20.142 24.422 -0.550 1.00 0.00 O ATOM 466 OE2 GLU A 30 19.687 22.526 -1.545 1.00 0.00 O ATOM 0 H GLU A 30 18.662 26.719 -4.728 1.00 0.00 H new ATOM 0 HA GLU A 30 19.650 24.174 -3.946 1.00 0.00 H new ATOM 0 HB2 GLU A 30 18.850 26.085 -2.487 1.00 0.00 H new ATOM 0 HB3 GLU A 30 17.213 25.731 -3.003 1.00 0.00 H new ATOM 0 HG2 GLU A 30 17.555 24.720 -0.845 1.00 0.00 H new ATOM 0 HG3 GLU A 30 17.425 23.436 -2.031 1.00 0.00 H new ATOM 473 N GLU A 31 16.691 24.366 -5.377 1.00 0.00 N ATOM 474 CA GLU A 31 15.642 23.634 -6.012 1.00 0.00 C ATOM 475 C GLU A 31 16.171 22.872 -7.245 1.00 0.00 C ATOM 476 O GLU A 31 15.790 21.731 -7.495 1.00 0.00 O ATOM 477 CB GLU A 31 14.539 24.613 -6.401 1.00 0.00 C ATOM 478 CG GLU A 31 13.248 23.957 -6.829 1.00 0.00 C ATOM 479 CD GLU A 31 12.514 23.301 -5.660 1.00 0.00 C ATOM 480 OE1 GLU A 31 12.770 23.693 -4.498 1.00 0.00 O ATOM 481 OE2 GLU A 31 11.669 22.413 -5.894 1.00 0.00 O ATOM 0 H GLU A 31 16.591 25.378 -5.451 1.00 0.00 H new ATOM 0 HA GLU A 31 15.242 22.889 -5.324 1.00 0.00 H new ATOM 0 HB2 GLU A 31 14.336 25.269 -5.554 1.00 0.00 H new ATOM 0 HB3 GLU A 31 14.899 25.244 -7.214 1.00 0.00 H new ATOM 0 HG2 GLU A 31 12.600 24.703 -7.289 1.00 0.00 H new ATOM 0 HG3 GLU A 31 13.460 23.205 -7.590 1.00 0.00 H new ATOM 488 N LEU A 32 17.054 23.520 -7.994 1.00 0.00 N ATOM 489 CA LEU A 32 17.652 22.927 -9.183 1.00 0.00 C ATOM 490 C LEU A 32 18.462 21.673 -8.849 1.00 0.00 C ATOM 491 O LEU A 32 18.325 20.642 -9.517 1.00 0.00 O ATOM 492 CB LEU A 32 18.534 23.944 -9.900 1.00 0.00 C ATOM 493 CG LEU A 32 17.817 24.952 -10.807 1.00 0.00 C ATOM 494 CD1 LEU A 32 16.314 24.908 -10.617 1.00 0.00 C ATOM 495 CD2 LEU A 32 18.330 26.353 -10.569 1.00 0.00 C ATOM 0 H LEU A 32 17.375 24.468 -7.795 1.00 0.00 H new ATOM 0 HA LEU A 32 16.837 22.630 -9.843 1.00 0.00 H new ATOM 0 HB2 LEU A 32 19.094 24.500 -9.148 1.00 0.00 H new ATOM 0 HB3 LEU A 32 19.262 23.400 -10.502 1.00 0.00 H new ATOM 0 HG LEU A 32 18.035 24.668 -11.837 1.00 0.00 H new ATOM 0 HD11 LEU A 32 15.842 25.636 -11.277 1.00 0.00 H new ATOM 0 HD12 LEU A 32 15.946 23.910 -10.856 1.00 0.00 H new ATOM 0 HD13 LEU A 32 16.071 25.146 -9.581 1.00 0.00 H new ATOM 0 HD21 LEU A 32 17.806 27.049 -11.224 1.00 0.00 H new ATOM 0 HD22 LEU A 32 18.156 26.632 -9.530 1.00 0.00 H new ATOM 0 HD23 LEU A 32 19.399 26.390 -10.781 1.00 0.00 H new ATOM 507 N LYS A 33 19.304 21.750 -7.807 1.00 0.00 N ATOM 508 CA LYS A 33 20.077 20.576 -7.384 1.00 0.00 C ATOM 509 C LYS A 33 19.151 19.500 -6.830 1.00 0.00 C ATOM 510 O LYS A 33 19.413 18.305 -6.960 1.00 0.00 O ATOM 511 CB LYS A 33 21.170 20.922 -6.357 1.00 0.00 C ATOM 512 CG LYS A 33 20.645 21.420 -5.025 1.00 0.00 C ATOM 513 CD LYS A 33 21.752 21.522 -3.993 1.00 0.00 C ATOM 514 CE LYS A 33 22.298 20.139 -3.647 1.00 0.00 C ATOM 515 NZ LYS A 33 23.227 20.169 -2.495 1.00 0.00 N ATOM 0 H LYS A 33 19.464 22.592 -7.254 1.00 0.00 H new ATOM 0 HA LYS A 33 20.584 20.196 -8.271 1.00 0.00 H new ATOM 0 HB2 LYS A 33 21.782 20.037 -6.184 1.00 0.00 H new ATOM 0 HB3 LYS A 33 21.824 21.683 -6.783 1.00 0.00 H new ATOM 0 HG2 LYS A 33 20.180 22.397 -5.158 1.00 0.00 H new ATOM 0 HG3 LYS A 33 19.870 20.745 -4.663 1.00 0.00 H new ATOM 0 HD2 LYS A 33 22.556 22.150 -4.376 1.00 0.00 H new ATOM 0 HD3 LYS A 33 21.373 22.004 -3.092 1.00 0.00 H new ATOM 0 HE2 LYS A 33 21.468 19.470 -3.423 1.00 0.00 H new ATOM 0 HE3 LYS A 33 22.813 19.728 -4.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 23.570 19.207 -2.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 24.035 20.786 -2.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 22.730 20.536 -1.658 1.00 0.00 H new ATOM 529 N LYS A 34 18.070 19.949 -6.205 1.00 0.00 N ATOM 530 CA LYS A 34 17.052 19.072 -5.648 1.00 0.00 C ATOM 531 C LYS A 34 16.455 18.186 -6.737 1.00 0.00 C ATOM 532 O LYS A 34 16.323 16.969 -6.556 1.00 0.00 O ATOM 533 CB LYS A 34 15.953 19.932 -5.017 1.00 0.00 C ATOM 534 CG LYS A 34 14.673 19.191 -4.673 1.00 0.00 C ATOM 535 CD LYS A 34 13.607 20.162 -4.214 1.00 0.00 C ATOM 536 CE LYS A 34 12.261 19.484 -4.050 1.00 0.00 C ATOM 537 NZ LYS A 34 11.200 20.464 -3.736 1.00 0.00 N ATOM 0 H LYS A 34 17.875 20.941 -6.070 1.00 0.00 H new ATOM 0 HA LYS A 34 17.503 18.428 -4.893 1.00 0.00 H new ATOM 0 HB2 LYS A 34 16.346 20.387 -4.108 1.00 0.00 H new ATOM 0 HB3 LYS A 34 15.711 20.745 -5.702 1.00 0.00 H new ATOM 0 HG2 LYS A 34 14.320 18.639 -5.544 1.00 0.00 H new ATOM 0 HG3 LYS A 34 14.869 18.459 -3.889 1.00 0.00 H new ATOM 0 HD2 LYS A 34 13.907 20.609 -3.266 1.00 0.00 H new ATOM 0 HD3 LYS A 34 13.520 20.974 -4.936 1.00 0.00 H new ATOM 0 HE2 LYS A 34 12.006 18.950 -4.966 1.00 0.00 H new ATOM 0 HE3 LYS A 34 12.320 18.741 -3.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 10.272 19.997 -3.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 11.351 20.845 -2.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 11.230 21.241 -4.427 1.00 0.00 H new ATOM 551 N ALA A 35 16.108 18.799 -7.866 1.00 0.00 N ATOM 552 CA ALA A 35 15.550 18.068 -8.993 1.00 0.00 C ATOM 553 C ALA A 35 16.545 17.039 -9.495 1.00 0.00 C ATOM 554 O ALA A 35 16.215 15.864 -9.646 1.00 0.00 O ATOM 555 CB ALA A 35 15.176 19.032 -10.114 1.00 0.00 C ATOM 0 H ALA A 35 16.205 19.802 -8.022 1.00 0.00 H new ATOM 0 HA ALA A 35 14.649 17.551 -8.663 1.00 0.00 H new ATOM 0 HB1 ALA A 35 14.760 18.472 -10.951 1.00 0.00 H new ATOM 0 HB2 ALA A 35 14.436 19.744 -9.750 1.00 0.00 H new ATOM 0 HB3 ALA A 35 16.065 19.570 -10.443 1.00 0.00 H new ATOM 561 N TYR A 36 17.779 17.479 -9.694 1.00 0.00 N ATOM 562 CA TYR A 36 18.841 16.610 -10.179 1.00 0.00 C ATOM 563 C TYR A 36 19.054 15.421 -9.248 1.00 0.00 C ATOM 564 O TYR A 36 19.179 14.290 -9.704 1.00 0.00 O ATOM 565 CB TYR A 36 20.137 17.400 -10.351 1.00 0.00 C ATOM 566 CG TYR A 36 21.350 16.543 -10.650 1.00 0.00 C ATOM 567 CD1 TYR A 36 21.579 16.043 -11.924 1.00 0.00 C ATOM 568 CD2 TYR A 36 22.262 16.236 -9.649 1.00 0.00 C ATOM 569 CE1 TYR A 36 22.688 15.258 -12.191 1.00 0.00 C ATOM 570 CE2 TYR A 36 23.368 15.457 -9.906 1.00 0.00 C ATOM 571 CZ TYR A 36 23.579 14.970 -11.175 1.00 0.00 C ATOM 572 OH TYR A 36 24.684 14.189 -11.427 1.00 0.00 O ATOM 0 H TYR A 36 18.071 18.442 -9.525 1.00 0.00 H new ATOM 0 HA TYR A 36 18.539 16.219 -11.151 1.00 0.00 H new ATOM 0 HB2 TYR A 36 20.006 18.120 -11.159 1.00 0.00 H new ATOM 0 HB3 TYR A 36 20.325 17.972 -9.442 1.00 0.00 H new ATOM 0 HD1 TYR A 36 20.883 16.269 -12.718 1.00 0.00 H new ATOM 0 HD2 TYR A 36 22.101 16.615 -8.651 1.00 0.00 H new ATOM 0 HE1 TYR A 36 22.855 14.874 -13.186 1.00 0.00 H new ATOM 0 HE2 TYR A 36 24.067 15.229 -9.115 1.00 0.00 H new ATOM 0 HH TYR A 36 25.206 14.085 -10.604 1.00 0.00 H new ATOM 582 N ARG A 37 19.082 15.685 -7.948 1.00 0.00 N ATOM 583 CA ARG A 37 19.286 14.640 -6.956 1.00 0.00 C ATOM 584 C ARG A 37 18.189 13.583 -7.036 1.00 0.00 C ATOM 585 O ARG A 37 18.465 12.387 -6.986 1.00 0.00 O ATOM 586 CB ARG A 37 19.330 15.240 -5.548 1.00 0.00 C ATOM 587 CG ARG A 37 19.546 14.213 -4.447 1.00 0.00 C ATOM 588 CD ARG A 37 19.551 14.866 -3.071 1.00 0.00 C ATOM 589 NE ARG A 37 19.716 13.882 -1.995 1.00 0.00 N ATOM 590 CZ ARG A 37 18.704 13.343 -1.298 1.00 0.00 C ATOM 591 NH1 ARG A 37 17.449 13.702 -1.557 1.00 0.00 N ATOM 592 NH2 ARG A 37 18.955 12.451 -0.347 1.00 0.00 N ATOM 0 H ARG A 37 18.965 16.619 -7.556 1.00 0.00 H new ATOM 0 HA ARG A 37 20.241 14.160 -7.169 1.00 0.00 H new ATOM 0 HB2 ARG A 37 20.130 15.979 -5.504 1.00 0.00 H new ATOM 0 HB3 ARG A 37 18.396 15.769 -5.360 1.00 0.00 H new ATOM 0 HG2 ARG A 37 18.760 13.459 -4.491 1.00 0.00 H new ATOM 0 HG3 ARG A 37 20.492 13.696 -4.610 1.00 0.00 H new ATOM 0 HD2 ARG A 37 20.358 15.597 -3.020 1.00 0.00 H new ATOM 0 HD3 ARG A 37 18.618 15.410 -2.925 1.00 0.00 H new ATOM 0 HE ARG A 37 20.664 13.588 -1.761 1.00 0.00 H new ATOM 0 HH11 ARG A 37 17.255 14.388 -2.286 1.00 0.00 H new ATOM 0 HH12 ARG A 37 16.681 13.291 -1.026 1.00 0.00 H new ATOM 0 HH21 ARG A 37 19.917 12.176 -0.147 1.00 0.00 H new ATOM 0 HH22 ARG A 37 18.186 12.041 0.183 1.00 0.00 H new ATOM 606 N LYS A 38 16.950 14.033 -7.183 1.00 0.00 N ATOM 607 CA LYS A 38 15.815 13.127 -7.259 1.00 0.00 C ATOM 608 C LYS A 38 15.922 12.237 -8.497 1.00 0.00 C ATOM 609 O LYS A 38 15.749 11.010 -8.426 1.00 0.00 O ATOM 610 CB LYS A 38 14.514 13.928 -7.303 1.00 0.00 C ATOM 611 CG LYS A 38 13.255 13.069 -7.273 1.00 0.00 C ATOM 612 CD LYS A 38 11.997 13.919 -7.349 1.00 0.00 C ATOM 613 CE LYS A 38 10.738 13.062 -7.267 1.00 0.00 C ATOM 614 NZ LYS A 38 10.689 12.023 -8.326 1.00 0.00 N ATOM 0 H LYS A 38 16.707 15.021 -7.252 1.00 0.00 H new ATOM 0 HA LYS A 38 15.816 12.491 -6.374 1.00 0.00 H new ATOM 0 HB2 LYS A 38 14.493 14.614 -6.456 1.00 0.00 H new ATOM 0 HB3 LYS A 38 14.505 14.537 -8.207 1.00 0.00 H new ATOM 0 HG2 LYS A 38 13.272 12.368 -8.107 1.00 0.00 H new ATOM 0 HG3 LYS A 38 13.240 12.476 -6.358 1.00 0.00 H new ATOM 0 HD2 LYS A 38 11.998 14.645 -6.536 1.00 0.00 H new ATOM 0 HD3 LYS A 38 11.994 14.484 -8.281 1.00 0.00 H new ATOM 0 HE2 LYS A 38 10.692 12.582 -6.289 1.00 0.00 H new ATOM 0 HE3 LYS A 38 9.860 13.703 -7.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 9.737 11.605 -8.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 10.909 12.455 -9.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 11.386 11.280 -8.116 1.00 0.00 H new ATOM 628 N LEU A 39 16.220 12.865 -9.623 1.00 0.00 N ATOM 629 CA LEU A 39 16.332 12.168 -10.894 1.00 0.00 C ATOM 630 C LEU A 39 17.485 11.200 -10.865 1.00 0.00 C ATOM 631 O LEU A 39 17.385 10.090 -11.357 1.00 0.00 O ATOM 632 CB LEU A 39 16.544 13.156 -12.013 1.00 0.00 C ATOM 633 CG LEU A 39 15.574 14.310 -12.043 1.00 0.00 C ATOM 634 CD1 LEU A 39 15.880 15.236 -13.200 1.00 0.00 C ATOM 635 CD2 LEU A 39 14.128 13.822 -12.093 1.00 0.00 C ATOM 0 H LEU A 39 16.391 13.869 -9.682 1.00 0.00 H new ATOM 0 HA LEU A 39 15.406 11.619 -11.063 1.00 0.00 H new ATOM 0 HB2 LEU A 39 17.556 13.555 -11.937 1.00 0.00 H new ATOM 0 HB3 LEU A 39 16.481 12.624 -12.962 1.00 0.00 H new ATOM 0 HG LEU A 39 15.695 14.873 -11.118 1.00 0.00 H new ATOM 0 HD11 LEU A 39 15.168 16.062 -13.203 1.00 0.00 H new ATOM 0 HD12 LEU A 39 16.891 15.629 -13.094 1.00 0.00 H new ATOM 0 HD13 LEU A 39 15.801 14.685 -14.137 1.00 0.00 H new ATOM 0 HD21 LEU A 39 13.455 14.679 -12.114 1.00 0.00 H new ATOM 0 HD22 LEU A 39 13.978 13.221 -12.990 1.00 0.00 H new ATOM 0 HD23 LEU A 39 13.918 13.217 -11.211 1.00 0.00 H new ATOM 647 N ALA A 40 18.582 11.638 -10.274 1.00 0.00 N ATOM 648 CA ALA A 40 19.799 10.828 -10.184 1.00 0.00 C ATOM 649 C ALA A 40 19.547 9.510 -9.479 1.00 0.00 C ATOM 650 O ALA A 40 20.075 8.471 -9.876 1.00 0.00 O ATOM 651 CB ALA A 40 20.907 11.601 -9.480 1.00 0.00 C ATOM 0 H ALA A 40 18.662 12.559 -9.843 1.00 0.00 H new ATOM 0 HA ALA A 40 20.116 10.603 -11.202 1.00 0.00 H new ATOM 0 HB1 ALA A 40 21.803 10.982 -9.423 1.00 0.00 H new ATOM 0 HB2 ALA A 40 21.129 12.510 -10.039 1.00 0.00 H new ATOM 0 HB3 ALA A 40 20.584 11.865 -8.473 1.00 0.00 H new ATOM 657 N LEU A 41 18.762 9.564 -8.434 1.00 0.00 N ATOM 658 CA LEU A 41 18.431 8.390 -7.664 1.00 0.00 C ATOM 659 C LEU A 41 17.601 7.389 -8.480 1.00 0.00 C ATOM 660 O LEU A 41 17.877 6.186 -8.475 1.00 0.00 O ATOM 661 CB LEU A 41 17.649 8.815 -6.428 1.00 0.00 C ATOM 662 CG LEU A 41 18.402 9.695 -5.428 1.00 0.00 C ATOM 663 CD1 LEU A 41 17.477 10.140 -4.315 1.00 0.00 C ATOM 664 CD2 LEU A 41 19.610 8.969 -4.861 1.00 0.00 C ATOM 0 H LEU A 41 18.333 10.424 -8.091 1.00 0.00 H new ATOM 0 HA LEU A 41 19.359 7.894 -7.378 1.00 0.00 H new ATOM 0 HB2 LEU A 41 16.757 9.350 -6.753 1.00 0.00 H new ATOM 0 HB3 LEU A 41 17.311 7.918 -5.910 1.00 0.00 H new ATOM 0 HG LEU A 41 18.760 10.578 -5.957 1.00 0.00 H new ATOM 0 HD11 LEU A 41 18.028 10.765 -3.612 1.00 0.00 H new ATOM 0 HD12 LEU A 41 16.649 10.710 -4.736 1.00 0.00 H new ATOM 0 HD13 LEU A 41 17.087 9.265 -3.794 1.00 0.00 H new ATOM 0 HD21 LEU A 41 20.126 9.618 -4.154 1.00 0.00 H new ATOM 0 HD22 LEU A 41 19.283 8.063 -4.351 1.00 0.00 H new ATOM 0 HD23 LEU A 41 20.289 8.704 -5.672 1.00 0.00 H new ATOM 676 N LYS A 42 16.593 7.894 -9.178 1.00 0.00 N ATOM 677 CA LYS A 42 15.700 7.062 -9.955 1.00 0.00 C ATOM 678 C LYS A 42 16.260 6.622 -11.311 1.00 0.00 C ATOM 679 O LYS A 42 16.124 5.466 -11.696 1.00 0.00 O ATOM 680 CB LYS A 42 14.383 7.764 -10.131 1.00 0.00 C ATOM 681 CG LYS A 42 13.565 7.801 -8.861 1.00 0.00 C ATOM 682 CD LYS A 42 13.134 6.399 -8.448 1.00 0.00 C ATOM 683 CE LYS A 42 12.298 6.409 -7.181 1.00 0.00 C ATOM 684 NZ LYS A 42 11.848 5.040 -6.806 1.00 0.00 N ATOM 0 H LYS A 42 16.376 8.890 -9.218 1.00 0.00 H new ATOM 0 HA LYS A 42 15.570 6.141 -9.387 1.00 0.00 H new ATOM 0 HB2 LYS A 42 14.563 8.784 -10.472 1.00 0.00 H new ATOM 0 HB3 LYS A 42 13.811 7.263 -10.912 1.00 0.00 H new ATOM 0 HG2 LYS A 42 14.149 8.256 -8.061 1.00 0.00 H new ATOM 0 HG3 LYS A 42 12.685 8.427 -9.009 1.00 0.00 H new ATOM 0 HD2 LYS A 42 12.562 5.943 -9.256 1.00 0.00 H new ATOM 0 HD3 LYS A 42 14.017 5.779 -8.294 1.00 0.00 H new ATOM 0 HE2 LYS A 42 12.880 6.837 -6.365 1.00 0.00 H new ATOM 0 HE3 LYS A 42 11.429 7.051 -7.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 11.280 5.087 -5.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 11.272 4.641 -7.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 12.678 4.434 -6.645 1.00 0.00 H new ATOM 698 N TYR A 43 16.872 7.539 -12.019 1.00 0.00 N ATOM 699 CA TYR A 43 17.330 7.282 -13.387 1.00 0.00 C ATOM 700 C TYR A 43 18.847 7.111 -13.459 1.00 0.00 C ATOM 701 O TYR A 43 19.456 7.433 -14.480 1.00 0.00 O ATOM 702 CB TYR A 43 16.879 8.424 -14.316 1.00 0.00 C ATOM 703 CG TYR A 43 15.399 8.745 -14.195 1.00 0.00 C ATOM 704 CD1 TYR A 43 14.438 7.945 -14.793 1.00 0.00 C ATOM 705 CD2 TYR A 43 14.973 9.841 -13.456 1.00 0.00 C ATOM 706 CE1 TYR A 43 13.090 8.229 -14.663 1.00 0.00 C ATOM 707 CE2 TYR A 43 13.631 10.132 -13.316 1.00 0.00 C ATOM 708 CZ TYR A 43 12.694 9.327 -13.921 1.00 0.00 C ATOM 709 OH TYR A 43 11.351 9.613 -13.779 1.00 0.00 O ATOM 0 H TYR A 43 17.071 8.480 -11.679 1.00 0.00 H new ATOM 0 HA TYR A 43 16.880 6.346 -13.716 1.00 0.00 H new ATOM 0 HB2 TYR A 43 17.458 9.319 -14.088 1.00 0.00 H new ATOM 0 HB3 TYR A 43 17.102 8.154 -15.348 1.00 0.00 H new ATOM 0 HD1 TYR A 43 14.746 7.086 -15.370 1.00 0.00 H new ATOM 0 HD2 TYR A 43 15.705 10.478 -12.982 1.00 0.00 H new ATOM 0 HE1 TYR A 43 12.353 7.598 -15.137 1.00 0.00 H new ATOM 0 HE2 TYR A 43 13.318 10.987 -12.735 1.00 0.00 H new ATOM 0 HH TYR A 43 11.244 10.416 -13.227 1.00 0.00 H new ATOM 719 N HIS A 44 19.451 6.611 -12.372 1.00 0.00 N ATOM 720 CA HIS A 44 20.903 6.395 -12.320 1.00 0.00 C ATOM 721 C HIS A 44 21.371 5.588 -13.526 1.00 0.00 C ATOM 722 O HIS A 44 20.990 4.443 -13.675 1.00 0.00 O ATOM 723 CB HIS A 44 21.300 5.632 -11.056 1.00 0.00 C ATOM 724 CG HIS A 44 22.627 6.058 -10.509 1.00 0.00 C ATOM 725 ND1 HIS A 44 23.607 5.167 -10.124 1.00 0.00 N ATOM 726 CD2 HIS A 44 23.142 7.291 -10.292 1.00 0.00 C ATOM 727 CE1 HIS A 44 24.667 5.837 -9.697 1.00 0.00 C ATOM 728 NE2 HIS A 44 24.411 7.123 -9.791 1.00 0.00 N ATOM 0 H HIS A 44 18.957 6.349 -11.519 1.00 0.00 H new ATOM 0 HA HIS A 44 21.374 7.378 -12.320 1.00 0.00 H new ATOM 0 HB2 HIS A 44 20.535 5.779 -10.294 1.00 0.00 H new ATOM 0 HB3 HIS A 44 21.329 4.565 -11.276 1.00 0.00 H new ATOM 0 HD2 HIS A 44 22.647 8.233 -10.478 1.00 0.00 H new ATOM 0 HE1 HIS A 44 25.586 5.401 -9.333 1.00 0.00 H new ATOM 0 HE2 HIS A 44 25.051 7.875 -9.534 1.00 0.00 H new ATOM 736 N PRO A 45 22.206 6.174 -14.392 1.00 0.00 N ATOM 737 CA PRO A 45 22.726 5.482 -15.581 1.00 0.00 C ATOM 738 C PRO A 45 23.420 4.158 -15.234 1.00 0.00 C ATOM 739 O PRO A 45 23.325 3.183 -15.977 1.00 0.00 O ATOM 740 CB PRO A 45 23.731 6.467 -16.160 1.00 0.00 C ATOM 741 CG PRO A 45 23.300 7.800 -15.653 1.00 0.00 C ATOM 742 CD PRO A 45 22.697 7.561 -14.301 1.00 0.00 C ATOM 0 HA PRO A 45 21.926 5.213 -16.271 1.00 0.00 H new ATOM 0 HB2 PRO A 45 24.745 6.231 -15.838 1.00 0.00 H new ATOM 0 HB3 PRO A 45 23.728 6.439 -17.250 1.00 0.00 H new ATOM 0 HG2 PRO A 45 24.147 8.483 -15.586 1.00 0.00 H new ATOM 0 HG3 PRO A 45 22.575 8.257 -16.327 1.00 0.00 H new ATOM 0 HD2 PRO A 45 23.433 7.676 -13.506 1.00 0.00 H new ATOM 0 HD3 PRO A 45 21.889 8.261 -14.091 1.00 0.00 H new ATOM 750 N ASP A 46 24.124 4.139 -14.113 1.00 0.00 N ATOM 751 CA ASP A 46 24.819 2.933 -13.646 1.00 0.00 C ATOM 752 C ASP A 46 23.828 1.845 -13.230 1.00 0.00 C ATOM 753 O ASP A 46 24.068 0.648 -13.431 1.00 0.00 O ATOM 754 CB ASP A 46 25.732 3.267 -12.465 1.00 0.00 C ATOM 755 CG ASP A 46 26.548 2.077 -12.006 1.00 0.00 C ATOM 756 OD1 ASP A 46 27.630 1.843 -12.578 1.00 0.00 O ATOM 757 OD2 ASP A 46 26.118 1.375 -11.061 1.00 0.00 O ATOM 0 H ASP A 46 24.234 4.947 -13.501 1.00 0.00 H new ATOM 0 HA ASP A 46 25.418 2.558 -14.476 1.00 0.00 H new ATOM 0 HB2 ASP A 46 26.405 4.077 -12.748 1.00 0.00 H new ATOM 0 HB3 ASP A 46 25.127 3.631 -11.634 1.00 0.00 H new ATOM 762 N LYS A 47 22.705 2.266 -12.677 1.00 0.00 N ATOM 763 CA LYS A 47 21.718 1.343 -12.150 1.00 0.00 C ATOM 764 C LYS A 47 20.636 1.043 -13.175 1.00 0.00 C ATOM 765 O LYS A 47 19.947 0.021 -13.089 1.00 0.00 O ATOM 766 CB LYS A 47 21.113 1.933 -10.882 1.00 0.00 C ATOM 767 CG LYS A 47 22.100 2.038 -9.730 1.00 0.00 C ATOM 768 CD LYS A 47 21.448 2.601 -8.485 1.00 0.00 C ATOM 769 CE LYS A 47 22.445 2.694 -7.343 1.00 0.00 C ATOM 770 NZ LYS A 47 21.837 3.225 -6.099 1.00 0.00 N ATOM 0 H LYS A 47 22.453 3.250 -12.581 1.00 0.00 H new ATOM 0 HA LYS A 47 22.208 0.398 -11.915 1.00 0.00 H new ATOM 0 HB2 LYS A 47 20.720 2.925 -11.104 1.00 0.00 H new ATOM 0 HB3 LYS A 47 20.269 1.317 -10.571 1.00 0.00 H new ATOM 0 HG2 LYS A 47 22.511 1.052 -9.512 1.00 0.00 H new ATOM 0 HG3 LYS A 47 22.935 2.674 -10.023 1.00 0.00 H new ATOM 0 HD2 LYS A 47 21.041 3.589 -8.699 1.00 0.00 H new ATOM 0 HD3 LYS A 47 20.611 1.968 -8.191 1.00 0.00 H new ATOM 0 HE2 LYS A 47 22.861 1.706 -7.147 1.00 0.00 H new ATOM 0 HE3 LYS A 47 23.274 3.336 -7.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 22.558 3.269 -5.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 21.463 4.179 -6.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 21.063 2.600 -5.797 1.00 0.00 H new ATOM 784 N ASN A 48 20.519 1.912 -14.160 1.00 0.00 N ATOM 785 CA ASN A 48 19.588 1.735 -15.264 1.00 0.00 C ATOM 786 C ASN A 48 20.177 2.341 -16.523 1.00 0.00 C ATOM 787 O ASN A 48 19.959 3.512 -16.824 1.00 0.00 O ATOM 788 CB ASN A 48 18.229 2.380 -14.993 1.00 0.00 C ATOM 789 CG ASN A 48 17.492 1.797 -13.801 1.00 0.00 C ATOM 790 OD1 ASN A 48 17.652 2.252 -12.666 1.00 0.00 O ATOM 791 ND2 ASN A 48 16.670 0.798 -14.052 1.00 0.00 N ATOM 0 H ASN A 48 21.070 2.768 -14.220 1.00 0.00 H new ATOM 0 HA ASN A 48 19.430 0.663 -15.384 1.00 0.00 H new ATOM 0 HB2 ASN A 48 18.372 3.448 -14.831 1.00 0.00 H new ATOM 0 HB3 ASN A 48 17.605 2.273 -15.880 1.00 0.00 H new ATOM 0 HD21 ASN A 48 16.138 0.372 -13.293 1.00 0.00 H new ATOM 0 HD22 ASN A 48 16.566 0.450 -15.005 1.00 0.00 H new ATOM 798 N PRO A 49 20.943 1.549 -17.262 1.00 0.00 N ATOM 799 CA PRO A 49 21.599 1.984 -18.475 1.00 0.00 C ATOM 800 C PRO A 49 20.601 2.430 -19.539 1.00 0.00 C ATOM 801 O PRO A 49 20.895 3.299 -20.359 1.00 0.00 O ATOM 802 CB PRO A 49 22.356 0.742 -18.929 1.00 0.00 C ATOM 803 CG PRO A 49 21.680 -0.367 -18.257 1.00 0.00 C ATOM 804 CD PRO A 49 21.229 0.167 -16.965 1.00 0.00 C ATOM 0 HA PRO A 49 22.241 2.849 -18.310 1.00 0.00 H new ATOM 0 HB2 PRO A 49 22.321 0.630 -20.013 1.00 0.00 H new ATOM 0 HB3 PRO A 49 23.408 0.794 -18.648 1.00 0.00 H new ATOM 0 HG2 PRO A 49 20.838 -0.727 -18.847 1.00 0.00 H new ATOM 0 HG3 PRO A 49 22.356 -1.211 -18.118 1.00 0.00 H new ATOM 0 HD2 PRO A 49 20.346 -0.357 -16.599 1.00 0.00 H new ATOM 0 HD3 PRO A 49 21.998 0.071 -16.199 1.00 0.00 H new ATOM 812 N ASN A 50 19.412 1.835 -19.499 1.00 0.00 N ATOM 813 CA ASN A 50 18.348 2.168 -20.444 1.00 0.00 C ATOM 814 C ASN A 50 17.836 3.594 -20.194 1.00 0.00 C ATOM 815 O ASN A 50 17.385 4.272 -21.111 1.00 0.00 O ATOM 816 CB ASN A 50 17.191 1.147 -20.351 1.00 0.00 C ATOM 817 CG ASN A 50 16.065 1.411 -21.352 1.00 0.00 C ATOM 818 OD1 ASN A 50 14.893 1.192 -21.050 1.00 0.00 O ATOM 819 ND2 ASN A 50 16.414 1.844 -22.551 1.00 0.00 N ATOM 0 H ASN A 50 19.160 1.117 -18.820 1.00 0.00 H new ATOM 0 HA ASN A 50 18.758 2.121 -21.453 1.00 0.00 H new ATOM 0 HB2 ASN A 50 17.587 0.145 -20.517 1.00 0.00 H new ATOM 0 HB3 ASN A 50 16.781 1.165 -19.341 1.00 0.00 H new ATOM 0 HD21 ASN A 50 15.701 2.007 -23.262 1.00 0.00 H new ATOM 0 HD22 ASN A 50 17.396 2.015 -22.766 1.00 0.00 H new ATOM 826 N GLU A 51 17.937 4.049 -18.948 1.00 0.00 N ATOM 827 CA GLU A 51 17.458 5.383 -18.577 1.00 0.00 C ATOM 828 C GLU A 51 18.582 6.436 -18.682 1.00 0.00 C ATOM 829 O GLU A 51 18.318 7.637 -18.624 1.00 0.00 O ATOM 830 CB GLU A 51 16.889 5.368 -17.151 1.00 0.00 C ATOM 831 CG GLU A 51 15.661 4.477 -16.984 1.00 0.00 C ATOM 832 CD GLU A 51 14.469 4.960 -17.775 1.00 0.00 C ATOM 833 OE1 GLU A 51 13.754 5.863 -17.298 1.00 0.00 O ATOM 834 OE2 GLU A 51 14.228 4.437 -18.878 1.00 0.00 O ATOM 0 H GLU A 51 18.344 3.518 -18.178 1.00 0.00 H new ATOM 0 HA GLU A 51 16.669 5.658 -19.277 1.00 0.00 H new ATOM 0 HB2 GLU A 51 17.666 5.032 -16.464 1.00 0.00 H new ATOM 0 HB3 GLU A 51 16.628 6.387 -16.864 1.00 0.00 H new ATOM 0 HG2 GLU A 51 15.910 3.463 -17.296 1.00 0.00 H new ATOM 0 HG3 GLU A 51 15.394 4.430 -15.928 1.00 0.00 H new ATOM 841 N GLY A 52 19.825 5.976 -18.871 1.00 0.00 N ATOM 842 CA GLY A 52 20.971 6.881 -18.930 1.00 0.00 C ATOM 843 C GLY A 52 20.960 7.793 -20.144 1.00 0.00 C ATOM 844 O GLY A 52 21.475 8.914 -20.090 1.00 0.00 O ATOM 0 H GLY A 52 20.058 4.990 -18.985 1.00 0.00 H new ATOM 0 HA2 GLY A 52 20.989 7.491 -18.027 1.00 0.00 H new ATOM 0 HA3 GLY A 52 21.889 6.293 -18.935 1.00 0.00 H new ATOM 848 N GLU A 53 20.373 7.319 -21.239 1.00 0.00 N ATOM 849 CA GLU A 53 20.295 8.101 -22.468 1.00 0.00 C ATOM 850 C GLU A 53 19.518 9.392 -22.193 1.00 0.00 C ATOM 851 O GLU A 53 19.913 10.478 -22.615 1.00 0.00 O ATOM 852 CB GLU A 53 19.585 7.283 -23.558 1.00 0.00 C ATOM 853 CG GLU A 53 19.751 7.839 -24.963 1.00 0.00 C ATOM 854 CD GLU A 53 21.159 7.653 -25.494 1.00 0.00 C ATOM 855 OE1 GLU A 53 21.498 6.517 -25.893 1.00 0.00 O ATOM 856 OE2 GLU A 53 21.928 8.633 -25.532 1.00 0.00 O ATOM 0 H GLU A 53 19.944 6.396 -21.300 1.00 0.00 H new ATOM 0 HA GLU A 53 21.300 8.348 -22.811 1.00 0.00 H new ATOM 0 HB2 GLU A 53 19.966 6.262 -23.536 1.00 0.00 H new ATOM 0 HB3 GLU A 53 18.522 7.232 -23.323 1.00 0.00 H new ATOM 0 HG2 GLU A 53 19.045 7.347 -25.632 1.00 0.00 H new ATOM 0 HG3 GLU A 53 19.503 8.900 -24.963 1.00 0.00 H new ATOM 863 N LYS A 54 18.425 9.248 -21.465 1.00 0.00 N ATOM 864 CA LYS A 54 17.607 10.359 -21.056 1.00 0.00 C ATOM 865 C LYS A 54 18.340 11.231 -20.035 1.00 0.00 C ATOM 866 O LYS A 54 18.173 12.450 -19.994 1.00 0.00 O ATOM 867 CB LYS A 54 16.296 9.860 -20.494 1.00 0.00 C ATOM 868 CG LYS A 54 15.345 9.325 -21.557 1.00 0.00 C ATOM 869 CD LYS A 54 14.034 8.916 -20.954 1.00 0.00 C ATOM 870 CE LYS A 54 14.203 7.721 -20.026 1.00 0.00 C ATOM 871 NZ LYS A 54 12.924 7.316 -19.398 1.00 0.00 N ATOM 0 H LYS A 54 18.083 8.343 -21.141 1.00 0.00 H new ATOM 0 HA LYS A 54 17.398 10.975 -21.930 1.00 0.00 H new ATOM 0 HB2 LYS A 54 16.497 9.072 -19.768 1.00 0.00 H new ATOM 0 HB3 LYS A 54 15.807 10.672 -19.956 1.00 0.00 H new ATOM 0 HG2 LYS A 54 15.177 10.089 -22.316 1.00 0.00 H new ATOM 0 HG3 LYS A 54 15.800 8.471 -22.059 1.00 0.00 H new ATOM 0 HD2 LYS A 54 13.609 9.753 -20.400 1.00 0.00 H new ATOM 0 HD3 LYS A 54 13.328 8.667 -21.746 1.00 0.00 H new ATOM 0 HE2 LYS A 54 14.612 6.881 -20.588 1.00 0.00 H new ATOM 0 HE3 LYS A 54 14.926 7.966 -19.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 13.115 6.869 -18.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 12.325 8.155 -19.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 12.432 6.640 -20.016 1.00 0.00 H new ATOM 885 N PHE A 55 19.160 10.586 -19.210 1.00 0.00 N ATOM 886 CA PHE A 55 19.905 11.273 -18.161 1.00 0.00 C ATOM 887 C PHE A 55 20.895 12.269 -18.760 1.00 0.00 C ATOM 888 O PHE A 55 21.300 13.226 -18.102 1.00 0.00 O ATOM 889 CB PHE A 55 20.637 10.267 -17.252 1.00 0.00 C ATOM 890 CG PHE A 55 21.089 10.867 -15.946 1.00 0.00 C ATOM 891 CD1 PHE A 55 20.200 10.993 -14.888 1.00 0.00 C ATOM 892 CD2 PHE A 55 22.390 11.318 -15.776 1.00 0.00 C ATOM 893 CE1 PHE A 55 20.597 11.552 -13.689 1.00 0.00 C ATOM 894 CE2 PHE A 55 22.794 11.875 -14.576 1.00 0.00 C ATOM 895 CZ PHE A 55 21.896 11.994 -13.532 1.00 0.00 C ATOM 0 H PHE A 55 19.326 9.580 -19.249 1.00 0.00 H new ATOM 0 HA PHE A 55 19.189 11.824 -17.551 1.00 0.00 H new ATOM 0 HB2 PHE A 55 19.977 9.424 -17.048 1.00 0.00 H new ATOM 0 HB3 PHE A 55 21.504 9.872 -17.782 1.00 0.00 H new ATOM 0 HD1 PHE A 55 19.183 10.649 -15.004 1.00 0.00 H new ATOM 0 HD2 PHE A 55 23.095 11.233 -16.590 1.00 0.00 H new ATOM 0 HE1 PHE A 55 19.893 11.643 -12.875 1.00 0.00 H new ATOM 0 HE2 PHE A 55 23.811 12.217 -14.455 1.00 0.00 H new ATOM 0 HZ PHE A 55 22.209 12.432 -12.596 1.00 0.00 H new ATOM 905 N LYS A 56 21.284 12.036 -20.006 1.00 0.00 N ATOM 906 CA LYS A 56 22.166 12.959 -20.704 1.00 0.00 C ATOM 907 C LYS A 56 21.496 14.332 -20.783 1.00 0.00 C ATOM 908 O LYS A 56 22.133 15.359 -20.563 1.00 0.00 O ATOM 909 CB LYS A 56 22.489 12.436 -22.102 1.00 0.00 C ATOM 910 CG LYS A 56 23.290 11.144 -22.091 1.00 0.00 C ATOM 911 CD LYS A 56 23.546 10.638 -23.499 1.00 0.00 C ATOM 912 CE LYS A 56 24.320 9.333 -23.484 1.00 0.00 C ATOM 913 NZ LYS A 56 24.525 8.804 -24.850 1.00 0.00 N ATOM 0 H LYS A 56 21.004 11.220 -20.551 1.00 0.00 H new ATOM 0 HA LYS A 56 23.104 13.048 -20.155 1.00 0.00 H new ATOM 0 HB2 LYS A 56 21.558 12.274 -22.646 1.00 0.00 H new ATOM 0 HB3 LYS A 56 23.048 13.197 -22.647 1.00 0.00 H new ATOM 0 HG2 LYS A 56 24.241 11.308 -21.583 1.00 0.00 H new ATOM 0 HG3 LYS A 56 22.752 10.385 -21.523 1.00 0.00 H new ATOM 0 HD2 LYS A 56 22.596 10.494 -24.014 1.00 0.00 H new ATOM 0 HD3 LYS A 56 24.103 11.387 -24.061 1.00 0.00 H new ATOM 0 HE2 LYS A 56 25.287 9.488 -23.005 1.00 0.00 H new ATOM 0 HE3 LYS A 56 23.782 8.598 -22.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 24.773 7.795 -24.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 23.650 8.917 -25.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 25.296 9.327 -25.313 1.00 0.00 H new ATOM 927 N GLN A 57 20.191 14.327 -21.056 1.00 0.00 N ATOM 928 CA GLN A 57 19.388 15.526 -21.074 1.00 0.00 C ATOM 929 C GLN A 57 19.395 16.168 -19.695 1.00 0.00 C ATOM 930 O GLN A 57 19.526 17.389 -19.553 1.00 0.00 O ATOM 931 CB GLN A 57 17.974 15.138 -21.426 1.00 0.00 C ATOM 932 CG GLN A 57 17.811 14.609 -22.820 1.00 0.00 C ATOM 933 CD GLN A 57 16.397 14.132 -23.106 1.00 0.00 C ATOM 934 OE1 GLN A 57 15.440 14.575 -22.482 1.00 0.00 O ATOM 935 NE2 GLN A 57 16.263 13.219 -24.050 1.00 0.00 N ATOM 0 H GLN A 57 19.668 13.478 -21.271 1.00 0.00 H new ATOM 0 HA GLN A 57 19.788 16.233 -21.801 1.00 0.00 H new ATOM 0 HB2 GLN A 57 17.630 14.382 -20.720 1.00 0.00 H new ATOM 0 HB3 GLN A 57 17.329 16.008 -21.302 1.00 0.00 H new ATOM 0 HG2 GLN A 57 18.078 15.389 -23.533 1.00 0.00 H new ATOM 0 HG3 GLN A 57 18.506 13.784 -22.974 1.00 0.00 H new ATOM 0 HE21 GLN A 57 17.085 12.875 -24.547 1.00 0.00 H new ATOM 0 HE22 GLN A 57 15.338 12.857 -24.282 1.00 0.00 H new ATOM 944 N ILE A 58 19.275 15.323 -18.683 1.00 0.00 N ATOM 945 CA ILE A 58 19.252 15.768 -17.302 1.00 0.00 C ATOM 946 C ILE A 58 20.567 16.450 -16.914 1.00 0.00 C ATOM 947 O ILE A 58 20.563 17.518 -16.294 1.00 0.00 O ATOM 948 CB ILE A 58 18.981 14.579 -16.349 1.00 0.00 C ATOM 949 CG1 ILE A 58 17.567 14.053 -16.554 1.00 0.00 C ATOM 950 CG2 ILE A 58 19.186 14.985 -14.911 1.00 0.00 C ATOM 951 CD1 ILE A 58 17.262 12.774 -15.802 1.00 0.00 C ATOM 0 H ILE A 58 19.191 14.313 -18.797 1.00 0.00 H new ATOM 0 HA ILE A 58 18.445 16.494 -17.207 1.00 0.00 H new ATOM 0 HB ILE A 58 19.690 13.785 -16.582 1.00 0.00 H new ATOM 0 HG12 ILE A 58 16.858 14.821 -16.244 1.00 0.00 H new ATOM 0 HG13 ILE A 58 17.406 13.882 -17.618 1.00 0.00 H new ATOM 0 HG21 ILE A 58 18.990 14.133 -14.261 1.00 0.00 H new ATOM 0 HG22 ILE A 58 20.214 15.319 -14.770 1.00 0.00 H new ATOM 0 HG23 ILE A 58 18.503 15.797 -14.661 1.00 0.00 H new ATOM 0 HD11 ILE A 58 16.235 12.469 -16.004 1.00 0.00 H new ATOM 0 HD12 ILE A 58 17.944 11.989 -16.128 1.00 0.00 H new ATOM 0 HD13 ILE A 58 17.387 12.942 -14.732 1.00 0.00 H new ATOM 963 N SER A 59 21.684 15.849 -17.291 1.00 0.00 N ATOM 964 CA SER A 59 22.980 16.421 -16.981 1.00 0.00 C ATOM 965 C SER A 59 23.173 17.794 -17.642 1.00 0.00 C ATOM 966 O SER A 59 23.798 18.681 -17.064 1.00 0.00 O ATOM 967 CB SER A 59 24.109 15.457 -17.344 1.00 0.00 C ATOM 968 OG SER A 59 24.060 15.113 -18.705 1.00 0.00 O ATOM 0 H SER A 59 21.718 14.971 -17.809 1.00 0.00 H new ATOM 0 HA SER A 59 23.016 16.582 -15.903 1.00 0.00 H new ATOM 0 HB2 SER A 59 25.071 15.916 -17.116 1.00 0.00 H new ATOM 0 HB3 SER A 59 24.033 14.556 -16.735 1.00 0.00 H new ATOM 0 HG SER A 59 23.252 15.492 -19.109 1.00 0.00 H new ATOM 974 N GLN A 60 22.622 17.963 -18.848 1.00 0.00 N ATOM 975 CA GLN A 60 22.703 19.216 -19.553 1.00 0.00 C ATOM 976 C GLN A 60 21.968 20.290 -18.795 1.00 0.00 C ATOM 977 O GLN A 60 22.495 21.385 -18.581 1.00 0.00 O ATOM 978 CB GLN A 60 22.090 19.060 -20.917 1.00 0.00 C ATOM 979 CG GLN A 60 22.816 18.097 -21.823 1.00 0.00 C ATOM 980 CD GLN A 60 22.103 17.914 -23.149 1.00 0.00 C ATOM 981 OE1 GLN A 60 20.880 17.996 -23.224 1.00 0.00 O ATOM 982 NE2 GLN A 60 22.856 17.670 -24.201 1.00 0.00 N ATOM 0 H GLN A 60 22.114 17.233 -19.347 1.00 0.00 H new ATOM 0 HA GLN A 60 23.750 19.503 -19.647 1.00 0.00 H new ATOM 0 HB2 GLN A 60 21.059 18.724 -20.802 1.00 0.00 H new ATOM 0 HB3 GLN A 60 22.055 20.037 -21.399 1.00 0.00 H new ATOM 0 HG2 GLN A 60 23.827 18.461 -22.003 1.00 0.00 H new ATOM 0 HG3 GLN A 60 22.909 17.132 -21.325 1.00 0.00 H new ATOM 0 HE21 GLN A 60 23.869 17.609 -24.100 1.00 0.00 H new ATOM 0 HE22 GLN A 60 22.426 17.542 -25.117 1.00 0.00 H new ATOM 991 N ALA A 61 20.755 19.965 -18.376 1.00 0.00 N ATOM 992 CA ALA A 61 19.938 20.887 -17.598 1.00 0.00 C ATOM 993 C ALA A 61 20.644 21.246 -16.320 1.00 0.00 C ATOM 994 O ALA A 61 20.687 22.398 -15.944 1.00 0.00 O ATOM 995 CB ALA A 61 18.575 20.273 -17.296 1.00 0.00 C ATOM 0 H ALA A 61 20.312 19.065 -18.562 1.00 0.00 H new ATOM 0 HA ALA A 61 19.783 21.794 -18.183 1.00 0.00 H new ATOM 0 HB1 ALA A 61 17.980 20.977 -16.714 1.00 0.00 H new ATOM 0 HB2 ALA A 61 18.061 20.049 -18.231 1.00 0.00 H new ATOM 0 HB3 ALA A 61 18.708 19.353 -16.726 1.00 0.00 H new ATOM 1001 N TYR A 62 21.244 20.256 -15.687 1.00 0.00 N ATOM 1002 CA TYR A 62 21.966 20.469 -14.453 1.00 0.00 C ATOM 1003 C TYR A 62 23.100 21.471 -14.652 1.00 0.00 C ATOM 1004 O TYR A 62 23.326 22.323 -13.807 1.00 0.00 O ATOM 1005 CB TYR A 62 22.507 19.140 -13.905 1.00 0.00 C ATOM 1006 CG TYR A 62 23.357 19.280 -12.656 1.00 0.00 C ATOM 1007 CD1 TYR A 62 22.784 19.605 -11.433 1.00 0.00 C ATOM 1008 CD2 TYR A 62 24.729 19.078 -12.702 1.00 0.00 C ATOM 1009 CE1 TYR A 62 23.554 19.723 -10.291 1.00 0.00 C ATOM 1010 CE2 TYR A 62 25.507 19.194 -11.568 1.00 0.00 C ATOM 1011 CZ TYR A 62 24.917 19.516 -10.365 1.00 0.00 C ATOM 1012 OH TYR A 62 25.692 19.632 -9.233 1.00 0.00 O ATOM 0 H TYR A 62 21.244 19.289 -16.013 1.00 0.00 H new ATOM 0 HA TYR A 62 21.272 20.884 -13.722 1.00 0.00 H new ATOM 0 HB2 TYR A 62 21.666 18.481 -13.686 1.00 0.00 H new ATOM 0 HB3 TYR A 62 23.099 18.655 -14.681 1.00 0.00 H new ATOM 0 HD1 TYR A 62 21.718 19.768 -11.373 1.00 0.00 H new ATOM 0 HD2 TYR A 62 25.197 18.825 -13.642 1.00 0.00 H new ATOM 0 HE1 TYR A 62 23.093 19.975 -9.348 1.00 0.00 H new ATOM 0 HE2 TYR A 62 26.574 19.033 -11.623 1.00 0.00 H new ATOM 0 HH TYR A 62 26.629 19.454 -9.458 1.00 0.00 H new ATOM 1022 N GLU A 63 23.799 21.368 -15.780 1.00 0.00 N ATOM 1023 CA GLU A 63 24.938 22.236 -16.047 1.00 0.00 C ATOM 1024 C GLU A 63 24.557 23.719 -16.108 1.00 0.00 C ATOM 1025 O GLU A 63 25.147 24.545 -15.411 1.00 0.00 O ATOM 1026 CB GLU A 63 25.657 21.811 -17.322 1.00 0.00 C ATOM 1027 CG GLU A 63 26.908 22.630 -17.610 1.00 0.00 C ATOM 1028 CD GLU A 63 27.664 22.152 -18.826 1.00 0.00 C ATOM 1029 OE1 GLU A 63 27.266 22.498 -19.951 1.00 0.00 O ATOM 1030 OE2 GLU A 63 28.676 21.444 -18.657 1.00 0.00 O ATOM 0 H GLU A 63 23.596 20.695 -16.519 1.00 0.00 H new ATOM 0 HA GLU A 63 25.618 22.123 -15.203 1.00 0.00 H new ATOM 0 HB2 GLU A 63 25.930 20.759 -17.243 1.00 0.00 H new ATOM 0 HB3 GLU A 63 24.971 21.900 -18.164 1.00 0.00 H new ATOM 0 HG2 GLU A 63 26.627 23.673 -17.752 1.00 0.00 H new ATOM 0 HG3 GLU A 63 27.567 22.593 -16.742 1.00 0.00 H new ATOM 1037 N VAL A 64 23.594 24.051 -16.931 1.00 0.00 N ATOM 1038 CA VAL A 64 23.167 25.427 -17.082 1.00 0.00 C ATOM 1039 C VAL A 64 22.254 25.890 -15.931 1.00 0.00 C ATOM 1040 O VAL A 64 22.379 27.002 -15.458 1.00 0.00 O ATOM 1041 CB VAL A 64 22.512 25.654 -18.474 1.00 0.00 C ATOM 1042 CG1 VAL A 64 22.147 24.330 -19.114 1.00 0.00 C ATOM 1043 CG2 VAL A 64 21.299 26.552 -18.375 1.00 0.00 C ATOM 0 H VAL A 64 23.085 23.385 -17.512 1.00 0.00 H new ATOM 0 HA VAL A 64 24.059 26.051 -17.028 1.00 0.00 H new ATOM 0 HB VAL A 64 23.244 26.155 -19.107 1.00 0.00 H new ATOM 0 HG11 VAL A 64 21.690 24.510 -20.087 1.00 0.00 H new ATOM 0 HG12 VAL A 64 23.046 23.727 -19.241 1.00 0.00 H new ATOM 0 HG13 VAL A 64 21.442 23.799 -18.475 1.00 0.00 H new ATOM 0 HG21 VAL A 64 20.866 26.689 -19.366 1.00 0.00 H new ATOM 0 HG22 VAL A 64 20.560 26.095 -17.717 1.00 0.00 H new ATOM 0 HG23 VAL A 64 21.595 27.520 -17.971 1.00 0.00 H new ATOM 1053 N LEU A 65 21.363 25.022 -15.477 1.00 0.00 N ATOM 1054 CA LEU A 65 20.426 25.368 -14.407 1.00 0.00 C ATOM 1055 C LEU A 65 21.128 25.653 -13.082 1.00 0.00 C ATOM 1056 O LEU A 65 20.765 26.590 -12.382 1.00 0.00 O ATOM 1057 CB LEU A 65 19.301 24.318 -14.271 1.00 0.00 C ATOM 1058 CG LEU A 65 18.044 24.553 -15.160 1.00 0.00 C ATOM 1059 CD1 LEU A 65 18.412 24.789 -16.612 1.00 0.00 C ATOM 1060 CD2 LEU A 65 17.092 23.378 -15.059 1.00 0.00 C ATOM 0 H LEU A 65 21.265 24.070 -15.830 1.00 0.00 H new ATOM 0 HA LEU A 65 19.949 26.304 -14.696 1.00 0.00 H new ATOM 0 HB2 LEU A 65 19.714 23.338 -14.510 1.00 0.00 H new ATOM 0 HB3 LEU A 65 18.985 24.285 -13.228 1.00 0.00 H new ATOM 0 HG LEU A 65 17.552 25.451 -14.787 1.00 0.00 H new ATOM 0 HD11 LEU A 65 17.505 24.948 -17.196 1.00 0.00 H new ATOM 0 HD12 LEU A 65 19.051 25.669 -16.687 1.00 0.00 H new ATOM 0 HD13 LEU A 65 18.944 23.920 -16.998 1.00 0.00 H new ATOM 0 HD21 LEU A 65 16.220 23.561 -15.687 1.00 0.00 H new ATOM 0 HD22 LEU A 65 17.596 22.471 -15.393 1.00 0.00 H new ATOM 0 HD23 LEU A 65 16.774 23.255 -14.024 1.00 0.00 H new ATOM 1072 N SER A 66 22.151 24.870 -12.747 1.00 0.00 N ATOM 1073 CA SER A 66 22.869 25.074 -11.494 1.00 0.00 C ATOM 1074 C SER A 66 23.725 26.345 -11.555 1.00 0.00 C ATOM 1075 O SER A 66 24.138 26.882 -10.523 1.00 0.00 O ATOM 1076 CB SER A 66 23.752 23.863 -11.175 1.00 0.00 C ATOM 1077 OG SER A 66 24.770 23.693 -12.149 1.00 0.00 O ATOM 0 H SER A 66 22.497 24.099 -13.318 1.00 0.00 H new ATOM 0 HA SER A 66 22.131 25.191 -10.700 1.00 0.00 H new ATOM 0 HB2 SER A 66 24.205 23.990 -10.192 1.00 0.00 H new ATOM 0 HB3 SER A 66 23.137 22.964 -11.129 1.00 0.00 H new ATOM 0 HG SER A 66 24.372 23.376 -12.987 1.00 0.00 H new ATOM 1083 N ASP A 67 23.996 26.814 -12.762 1.00 0.00 N ATOM 1084 CA ASP A 67 24.780 28.018 -12.950 1.00 0.00 C ATOM 1085 C ASP A 67 23.869 29.172 -13.318 1.00 0.00 C ATOM 1086 O ASP A 67 23.367 29.245 -14.436 1.00 0.00 O ATOM 1087 CB ASP A 67 25.833 27.813 -14.036 1.00 0.00 C ATOM 1088 CG ASP A 67 26.722 29.024 -14.214 1.00 0.00 C ATOM 1089 OD1 ASP A 67 27.709 29.163 -13.461 1.00 0.00 O ATOM 1090 OD2 ASP A 67 26.449 29.837 -15.112 1.00 0.00 O ATOM 0 H ASP A 67 23.682 26.375 -13.628 1.00 0.00 H new ATOM 0 HA ASP A 67 25.292 28.249 -12.016 1.00 0.00 H new ATOM 0 HB2 ASP A 67 26.447 26.949 -13.784 1.00 0.00 H new ATOM 0 HB3 ASP A 67 25.338 27.587 -14.980 1.00 0.00 H new ATOM 1095 N ALA A 68 23.665 30.076 -12.379 1.00 0.00 N ATOM 1096 CA ALA A 68 22.760 31.204 -12.573 1.00 0.00 C ATOM 1097 C ALA A 68 23.083 32.010 -13.827 1.00 0.00 C ATOM 1098 O ALA A 68 22.201 32.634 -14.405 1.00 0.00 O ATOM 1099 CB ALA A 68 22.755 32.104 -11.346 1.00 0.00 C ATOM 0 H ALA A 68 24.116 30.054 -11.464 1.00 0.00 H new ATOM 0 HA ALA A 68 21.763 30.787 -12.714 1.00 0.00 H new ATOM 0 HB1 ALA A 68 22.074 32.939 -11.510 1.00 0.00 H new ATOM 0 HB2 ALA A 68 22.426 31.533 -10.477 1.00 0.00 H new ATOM 0 HB3 ALA A 68 23.761 32.485 -11.170 1.00 0.00 H new ATOM 1105 N LYS A 69 24.337 32.003 -14.250 1.00 0.00 N ATOM 1106 CA LYS A 69 24.719 32.762 -15.423 1.00 0.00 C ATOM 1107 C LYS A 69 24.223 32.098 -16.703 1.00 0.00 C ATOM 1108 O LYS A 69 23.538 32.732 -17.500 1.00 0.00 O ATOM 1109 CB LYS A 69 26.224 32.989 -15.471 1.00 0.00 C ATOM 1110 CG LYS A 69 26.657 33.839 -16.649 1.00 0.00 C ATOM 1111 CD LYS A 69 28.135 34.125 -16.608 1.00 0.00 C ATOM 1112 CE LYS A 69 28.556 34.994 -17.782 1.00 0.00 C ATOM 1113 NZ LYS A 69 29.984 35.367 -17.708 1.00 0.00 N ATOM 0 H LYS A 69 25.096 31.487 -13.804 1.00 0.00 H new ATOM 0 HA LYS A 69 24.238 33.738 -15.349 1.00 0.00 H new ATOM 0 HB2 LYS A 69 26.543 33.470 -14.546 1.00 0.00 H new ATOM 0 HB3 LYS A 69 26.730 32.025 -15.520 1.00 0.00 H new ATOM 0 HG2 LYS A 69 26.410 33.327 -17.579 1.00 0.00 H new ATOM 0 HG3 LYS A 69 26.103 34.778 -16.645 1.00 0.00 H new ATOM 0 HD2 LYS A 69 28.386 34.625 -15.673 1.00 0.00 H new ATOM 0 HD3 LYS A 69 28.691 33.188 -16.627 1.00 0.00 H new ATOM 0 HE2 LYS A 69 28.368 34.461 -18.714 1.00 0.00 H new ATOM 0 HE3 LYS A 69 27.946 35.897 -17.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 30.231 35.959 -18.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 30.159 35.898 -16.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 30.568 34.507 -17.714 1.00 0.00 H new ATOM 1127 N LYS A 70 24.542 30.809 -16.887 1.00 0.00 N ATOM 1128 CA LYS A 70 24.094 30.087 -18.075 1.00 0.00 C ATOM 1129 C LYS A 70 22.585 29.991 -18.076 1.00 0.00 C ATOM 1130 O LYS A 70 21.934 30.125 -19.116 1.00 0.00 O ATOM 1131 CB LYS A 70 24.696 28.686 -18.146 1.00 0.00 C ATOM 1132 CG LYS A 70 26.212 28.662 -18.286 1.00 0.00 C ATOM 1133 CD LYS A 70 26.729 27.236 -18.445 1.00 0.00 C ATOM 1134 CE LYS A 70 26.258 26.637 -19.761 1.00 0.00 C ATOM 1135 NZ LYS A 70 26.806 25.281 -19.999 1.00 0.00 N ATOM 0 H LYS A 70 25.100 30.256 -16.236 1.00 0.00 H new ATOM 0 HA LYS A 70 24.433 30.643 -18.949 1.00 0.00 H new ATOM 0 HB2 LYS A 70 24.417 28.137 -17.246 1.00 0.00 H new ATOM 0 HB3 LYS A 70 24.256 28.157 -18.991 1.00 0.00 H new ATOM 0 HG2 LYS A 70 26.510 29.258 -19.149 1.00 0.00 H new ATOM 0 HG3 LYS A 70 26.668 29.121 -17.409 1.00 0.00 H new ATOM 0 HD2 LYS A 70 27.818 27.233 -18.407 1.00 0.00 H new ATOM 0 HD3 LYS A 70 26.379 26.622 -17.615 1.00 0.00 H new ATOM 0 HE2 LYS A 70 25.169 26.591 -19.766 1.00 0.00 H new ATOM 0 HE3 LYS A 70 26.553 27.293 -20.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 26.985 25.152 -21.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 27.697 25.169 -19.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 26.121 24.568 -19.675 1.00 0.00 H new ATOM 1149 N ARG A 71 22.039 29.756 -16.892 1.00 0.00 N ATOM 1150 CA ARG A 71 20.613 29.653 -16.696 1.00 0.00 C ATOM 1151 C ARG A 71 19.914 30.909 -17.158 1.00 0.00 C ATOM 1152 O ARG A 71 18.885 30.842 -17.815 1.00 0.00 O ATOM 1153 CB ARG A 71 20.311 29.425 -15.218 1.00 0.00 C ATOM 1154 CG ARG A 71 18.841 29.278 -14.904 1.00 0.00 C ATOM 1155 CD ARG A 71 18.620 29.094 -13.419 1.00 0.00 C ATOM 1156 NE ARG A 71 17.202 29.067 -13.071 1.00 0.00 N ATOM 1157 CZ ARG A 71 16.576 30.046 -12.396 1.00 0.00 C ATOM 1158 NH1 ARG A 71 17.237 31.142 -12.028 1.00 0.00 N ATOM 1159 NH2 ARG A 71 15.291 29.934 -12.095 1.00 0.00 N ATOM 0 H ARG A 71 22.583 29.632 -16.038 1.00 0.00 H new ATOM 0 HA ARG A 71 20.248 28.811 -17.284 1.00 0.00 H new ATOM 0 HB2 ARG A 71 20.834 28.528 -14.886 1.00 0.00 H new ATOM 0 HB3 ARG A 71 20.713 30.260 -14.643 1.00 0.00 H new ATOM 0 HG2 ARG A 71 18.302 30.160 -15.249 1.00 0.00 H new ATOM 0 HG3 ARG A 71 18.434 28.424 -15.445 1.00 0.00 H new ATOM 0 HD2 ARG A 71 19.089 28.165 -13.096 1.00 0.00 H new ATOM 0 HD3 ARG A 71 19.110 29.903 -12.878 1.00 0.00 H new ATOM 0 HE ARG A 71 16.654 28.256 -13.358 1.00 0.00 H new ATOM 0 HH11 ARG A 71 18.226 31.243 -12.258 1.00 0.00 H new ATOM 0 HH12 ARG A 71 16.755 31.881 -11.516 1.00 0.00 H new ATOM 0 HH21 ARG A 71 14.772 29.102 -12.376 1.00 0.00 H new ATOM 0 HH22 ARG A 71 14.820 30.680 -11.582 1.00 0.00 H new ATOM 1173 N GLU A 72 20.494 32.046 -16.836 1.00 0.00 N ATOM 1174 CA GLU A 72 19.892 33.308 -17.124 1.00 0.00 C ATOM 1175 C GLU A 72 19.891 33.570 -18.608 1.00 0.00 C ATOM 1176 O GLU A 72 18.921 34.078 -19.151 1.00 0.00 O ATOM 1177 CB GLU A 72 20.620 34.420 -16.375 1.00 0.00 C ATOM 1178 CG GLU A 72 20.002 35.770 -16.568 1.00 0.00 C ATOM 1179 CD GLU A 72 20.656 36.841 -15.732 1.00 0.00 C ATOM 1180 OE1 GLU A 72 21.700 37.380 -16.154 1.00 0.00 O ATOM 1181 OE2 GLU A 72 20.137 37.143 -14.630 1.00 0.00 O ATOM 0 H GLU A 72 21.397 32.109 -16.367 1.00 0.00 H new ATOM 0 HA GLU A 72 18.856 33.286 -16.787 1.00 0.00 H new ATOM 0 HB2 GLU A 72 20.633 34.183 -15.311 1.00 0.00 H new ATOM 0 HB3 GLU A 72 21.658 34.453 -16.707 1.00 0.00 H new ATOM 0 HG2 GLU A 72 20.068 36.047 -17.620 1.00 0.00 H new ATOM 0 HG3 GLU A 72 18.942 35.718 -16.318 1.00 0.00 H new ATOM 1188 N LEU A 73 20.974 33.214 -19.262 1.00 0.00 N ATOM 1189 CA LEU A 73 21.087 33.411 -20.674 1.00 0.00 C ATOM 1190 C LEU A 73 20.089 32.529 -21.413 1.00 0.00 C ATOM 1191 O LEU A 73 19.419 32.975 -22.344 1.00 0.00 O ATOM 1192 CB LEU A 73 22.505 33.097 -21.113 1.00 0.00 C ATOM 1193 CG LEU A 73 23.603 33.796 -20.309 1.00 0.00 C ATOM 1194 CD1 LEU A 73 24.963 33.574 -20.930 1.00 0.00 C ATOM 1195 CD2 LEU A 73 23.298 35.274 -20.141 1.00 0.00 C ATOM 0 H LEU A 73 21.790 32.784 -18.827 1.00 0.00 H new ATOM 0 HA LEU A 73 20.862 34.450 -20.913 1.00 0.00 H new ATOM 0 HB2 LEU A 73 22.659 32.020 -21.048 1.00 0.00 H new ATOM 0 HB3 LEU A 73 22.613 33.372 -22.162 1.00 0.00 H new ATOM 0 HG LEU A 73 23.626 33.351 -19.314 1.00 0.00 H new ATOM 0 HD11 LEU A 73 25.722 34.083 -20.336 1.00 0.00 H new ATOM 0 HD12 LEU A 73 25.180 32.506 -20.958 1.00 0.00 H new ATOM 0 HD13 LEU A 73 24.969 33.972 -21.945 1.00 0.00 H new ATOM 0 HD21 LEU A 73 24.094 35.747 -19.566 1.00 0.00 H new ATOM 0 HD22 LEU A 73 23.230 35.745 -21.122 1.00 0.00 H new ATOM 0 HD23 LEU A 73 22.351 35.393 -19.615 1.00 0.00 H new ATOM 1207 N TYR A 74 19.988 31.278 -20.979 1.00 0.00 N ATOM 1208 CA TYR A 74 19.050 30.333 -21.569 1.00 0.00 C ATOM 1209 C TYR A 74 17.618 30.796 -21.338 1.00 0.00 C ATOM 1210 O TYR A 74 16.783 30.782 -22.244 1.00 0.00 O ATOM 1211 CB TYR A 74 19.249 28.947 -20.968 1.00 0.00 C ATOM 1212 CG TYR A 74 18.492 27.870 -21.708 1.00 0.00 C ATOM 1213 CD1 TYR A 74 18.931 27.428 -22.948 1.00 0.00 C ATOM 1214 CD2 TYR A 74 17.344 27.305 -21.182 1.00 0.00 C ATOM 1215 CE1 TYR A 74 18.245 26.457 -23.641 1.00 0.00 C ATOM 1216 CE2 TYR A 74 16.654 26.328 -21.867 1.00 0.00 C ATOM 1217 CZ TYR A 74 17.107 25.907 -23.098 1.00 0.00 C ATOM 1218 OH TYR A 74 16.421 24.928 -23.786 1.00 0.00 O ATOM 0 H TYR A 74 20.547 30.894 -20.217 1.00 0.00 H new ATOM 0 HA TYR A 74 19.237 30.284 -22.642 1.00 0.00 H new ATOM 0 HB2 TYR A 74 20.312 28.704 -20.971 1.00 0.00 H new ATOM 0 HB3 TYR A 74 18.928 28.959 -19.926 1.00 0.00 H new ATOM 0 HD1 TYR A 74 19.826 27.853 -23.377 1.00 0.00 H new ATOM 0 HD2 TYR A 74 16.983 27.635 -20.219 1.00 0.00 H new ATOM 0 HE1 TYR A 74 18.599 26.128 -24.607 1.00 0.00 H new ATOM 0 HE2 TYR A 74 15.762 25.894 -21.440 1.00 0.00 H new ATOM 0 HH TYR A 74 15.642 24.646 -23.263 1.00 0.00 H new ATOM 1228 N ASP A 75 17.361 31.202 -20.108 1.00 0.00 N ATOM 1229 CA ASP A 75 16.046 31.680 -19.665 1.00 0.00 C ATOM 1230 C ASP A 75 15.640 32.941 -20.421 1.00 0.00 C ATOM 1231 O ASP A 75 14.460 33.181 -20.672 1.00 0.00 O ATOM 1232 CB ASP A 75 16.085 31.963 -18.159 1.00 0.00 C ATOM 1233 CG ASP A 75 14.754 32.413 -17.597 1.00 0.00 C ATOM 1234 OD1 ASP A 75 13.914 31.547 -17.286 1.00 0.00 O ATOM 1235 OD2 ASP A 75 14.552 33.638 -17.431 1.00 0.00 O ATOM 0 H ASP A 75 18.065 31.213 -19.370 1.00 0.00 H new ATOM 0 HA ASP A 75 15.307 30.907 -19.874 1.00 0.00 H new ATOM 0 HB2 ASP A 75 16.406 31.062 -17.636 1.00 0.00 H new ATOM 0 HB3 ASP A 75 16.833 32.731 -17.960 1.00 0.00 H new ATOM 1240 N LYS A 76 16.629 33.742 -20.775 1.00 0.00 N ATOM 1241 CA LYS A 76 16.408 34.997 -21.480 1.00 0.00 C ATOM 1242 C LYS A 76 16.155 34.749 -22.979 1.00 0.00 C ATOM 1243 O LYS A 76 15.811 35.669 -23.727 1.00 0.00 O ATOM 1244 CB LYS A 76 17.627 35.912 -21.289 1.00 0.00 C ATOM 1245 CG LYS A 76 17.473 37.319 -21.860 1.00 0.00 C ATOM 1246 CD LYS A 76 18.711 38.155 -21.592 1.00 0.00 C ATOM 1247 CE LYS A 76 18.563 39.567 -22.143 1.00 0.00 C ATOM 1248 NZ LYS A 76 19.766 40.390 -21.869 1.00 0.00 N ATOM 0 H LYS A 76 17.611 33.542 -20.583 1.00 0.00 H new ATOM 0 HA LYS A 76 15.523 35.481 -21.067 1.00 0.00 H new ATOM 0 HB2 LYS A 76 17.840 35.990 -20.223 1.00 0.00 H new ATOM 0 HB3 LYS A 76 18.493 35.440 -21.754 1.00 0.00 H new ATOM 0 HG2 LYS A 76 17.294 37.262 -22.934 1.00 0.00 H new ATOM 0 HG3 LYS A 76 16.602 37.801 -21.417 1.00 0.00 H new ATOM 0 HD2 LYS A 76 18.895 38.200 -20.519 1.00 0.00 H new ATOM 0 HD3 LYS A 76 19.579 37.676 -22.045 1.00 0.00 H new ATOM 0 HE2 LYS A 76 18.390 39.522 -23.218 1.00 0.00 H new ATOM 0 HE3 LYS A 76 17.688 40.042 -21.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 19.630 41.345 -22.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 19.917 40.453 -20.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 20.596 39.950 -22.314 1.00 0.00 H new ATOM 1262 N GLY A 77 16.323 33.515 -23.412 1.00 0.00 N ATOM 1263 CA GLY A 77 16.128 33.208 -24.810 1.00 0.00 C ATOM 1264 C GLY A 77 15.235 32.008 -25.021 1.00 0.00 C ATOM 1265 O GLY A 77 15.381 31.328 -26.056 1.00 0.00 O ATOM 1266 OXT GLY A 77 14.380 31.734 -24.163 1.00 0.00 O ATOM 0 H GLY A 77 16.589 32.723 -22.826 1.00 0.00 H new ATOM 0 HA2 GLY A 77 15.693 34.073 -25.311 1.00 0.00 H new ATOM 0 HA3 GLY A 77 17.096 33.023 -25.276 1.00 0.00 H new TER 1270 GLY A 77