USER MOD reduce.3.24.130724 H: found=0, std=0, add=377, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 379 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 1 GLY N :NH3+ 151:sc= 0 (180deg=0) USER MOD Set 1.2: A 15 GLN : amide:sc= 0.0405 K(o=-0.12,f=-0.85) USER MOD Set 1.3: A 19 TYR OH : rot 180:sc= -0.158 USER MOD Set 2.1: A 9 SER OG : rot 180:sc= -0.335 USER MOD Set 2.2: B 5 HIS :FLIP no HE2:sc= -0.528 F(o=-2,f=-0.86) USER MOD Single : A 5 GLN : amide:sc= -0.673 K(o=-0.67,f=-1.8) USER MOD Single : A 12 SER OG : rot 180:sc= 0.0868 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.0104 K(o=-0.01,f=-0.78) USER MOD Single : A 21 ASN : amide:sc= -0.115 X(o=-0.11,f=0) USER MOD Single : B 1 PHE N :NH3+ -179:sc= 0.52 (180deg=0.52) USER MOD Single : B 3 ASN :FLIP amide:sc= -0.169 F(o=-2.5!,f=-0.17) USER MOD Single : B 4 GLN :FLIP amide:sc= -0.202 F(o=-2!,f=-0.2) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS :FLIP no HD1:sc= -0.111 F(o=-0.68,f=-0.11) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot -140:sc= -0.56 USER MOD Single : B 27 THR OG1 : rot 33:sc= -0.106 USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -21.016 18.157 -10.942 1.00 0.00 N ATOM 2 CA GLY A 1 -21.531 19.086 -9.889 1.00 0.00 C ATOM 3 C GLY A 1 -22.952 19.628 -10.119 1.00 0.00 C ATOM 4 O GLY A 1 -23.880 18.848 -10.213 1.00 0.00 O ATOM 0 H1 GLY A 1 -19.980 18.231 -10.994 1.00 0.00 H new ATOM 0 H2 GLY A 1 -21.282 17.180 -10.703 1.00 0.00 H new ATOM 0 H3 GLY A 1 -21.428 18.413 -11.862 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -21.510 18.568 -8.930 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -20.847 19.931 -9.809 1.00 0.00 H new ATOM 10 N ILE A 2 -23.156 20.964 -10.081 1.00 0.00 N ATOM 11 CA ILE A 2 -23.999 21.531 -9.060 1.00 0.00 C ATOM 12 C ILE A 2 -25.102 22.471 -9.421 1.00 0.00 C ATOM 13 O ILE A 2 -26.119 22.527 -8.727 1.00 0.00 O ATOM 14 CB ILE A 2 -22.989 22.120 -8.034 1.00 0.00 C ATOM 15 CG1 ILE A 2 -23.328 21.601 -6.639 1.00 0.00 C ATOM 16 CG2 ILE A 2 -22.555 23.540 -8.240 1.00 0.00 C ATOM 17 CD1 ILE A 2 -23.176 20.078 -6.783 1.00 0.00 C ATOM 0 H ILE A 2 -22.752 21.635 -10.735 1.00 0.00 H new ATOM 0 HA ILE A 2 -24.641 20.735 -8.683 1.00 0.00 H new ATOM 0 HB ILE A 2 -21.992 21.728 -8.234 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -22.652 22.003 -5.885 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -24.339 21.878 -6.341 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -21.852 23.823 -7.456 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -22.072 23.635 -9.212 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -23.425 24.196 -8.202 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -23.398 19.598 -5.830 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -23.868 19.714 -7.543 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -22.154 19.841 -7.079 1.00 0.00 H new ATOM 29 N VAL A 3 -24.882 23.224 -10.499 1.00 0.00 N ATOM 30 CA VAL A 3 -25.837 24.274 -10.837 1.00 0.00 C ATOM 31 C VAL A 3 -26.980 23.737 -11.690 1.00 0.00 C ATOM 32 O VAL A 3 -28.178 23.916 -11.489 1.00 0.00 O ATOM 33 CB VAL A 3 -25.120 25.529 -11.326 1.00 0.00 C ATOM 34 CG1 VAL A 3 -26.078 26.618 -11.884 1.00 0.00 C ATOM 35 CG2 VAL A 3 -24.333 26.219 -10.212 1.00 0.00 C ATOM 0 H VAL A 3 -24.085 23.133 -11.129 1.00 0.00 H new ATOM 0 HA VAL A 3 -26.354 24.619 -9.941 1.00 0.00 H new ATOM 0 HB VAL A 3 -24.468 25.153 -12.114 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -25.497 27.480 -12.212 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -26.636 26.214 -12.728 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -26.774 26.925 -11.103 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -23.841 27.106 -10.610 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -25.014 26.510 -9.412 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -23.582 25.534 -9.819 1.00 0.00 H new ATOM 45 N GLU A 4 -26.431 22.989 -12.621 1.00 0.00 N ATOM 46 CA GLU A 4 -26.779 22.980 -14.011 1.00 0.00 C ATOM 47 C GLU A 4 -26.711 21.696 -14.794 1.00 0.00 C ATOM 48 O GLU A 4 -27.594 21.238 -15.522 1.00 0.00 O ATOM 49 CB GLU A 4 -25.781 23.991 -14.601 1.00 0.00 C ATOM 50 CG GLU A 4 -24.242 23.831 -14.344 1.00 0.00 C ATOM 51 CD GLU A 4 -23.427 25.052 -14.742 1.00 0.00 C ATOM 52 OE1 GLU A 4 -23.844 25.972 -15.436 1.00 0.00 O ATOM 53 OE2 GLU A 4 -22.173 25.046 -14.232 1.00 0.00 O ATOM 0 H GLU A 4 -25.682 22.331 -12.406 1.00 0.00 H new ATOM 0 HA GLU A 4 -27.845 23.195 -14.087 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -25.928 23.996 -15.681 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -26.068 24.977 -14.236 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -24.078 23.625 -13.286 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -23.878 22.966 -14.898 1.00 0.00 H new ATOM 61 N GLN A 5 -25.598 21.138 -14.426 1.00 0.00 N ATOM 62 CA GLN A 5 -25.190 19.802 -14.277 1.00 0.00 C ATOM 63 C GLN A 5 -26.370 18.899 -13.823 1.00 0.00 C ATOM 64 O GLN A 5 -26.511 17.751 -14.215 1.00 0.00 O ATOM 65 CB GLN A 5 -24.163 19.858 -13.152 1.00 0.00 C ATOM 66 CG GLN A 5 -22.979 20.836 -13.240 1.00 0.00 C ATOM 67 CD GLN A 5 -22.250 20.942 -14.605 1.00 0.00 C ATOM 68 OE1 GLN A 5 -22.359 20.131 -15.523 1.00 0.00 O ATOM 69 NE2 GLN A 5 -21.432 21.957 -14.743 1.00 0.00 N ATOM 0 H GLN A 5 -24.818 21.748 -14.181 1.00 0.00 H new ATOM 0 HA GLN A 5 -24.809 19.391 -15.212 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -24.702 20.083 -12.232 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -23.748 18.856 -13.041 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -23.340 21.829 -12.971 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -22.246 20.548 -12.486 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -21.332 22.637 -13.990 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -20.896 22.066 -15.604 1.00 0.00 H new ATOM 78 N CYS A 6 -27.211 19.500 -12.961 1.00 0.00 N ATOM 79 CA CYS A 6 -28.462 19.008 -12.422 1.00 0.00 C ATOM 80 C CYS A 6 -29.753 19.492 -13.060 1.00 0.00 C ATOM 81 O CYS A 6 -30.754 18.776 -13.120 1.00 0.00 O ATOM 82 CB CYS A 6 -28.475 19.519 -10.992 1.00 0.00 C ATOM 83 SG CYS A 6 -27.232 18.714 -9.950 1.00 0.00 S ATOM 0 H CYS A 6 -26.998 20.430 -12.599 1.00 0.00 H new ATOM 0 HA CYS A 6 -28.468 17.930 -12.584 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -28.300 20.595 -10.994 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -29.463 19.357 -10.562 1.00 0.00 H new ATOM 88 N CYS A 7 -29.729 20.753 -13.438 1.00 0.00 N ATOM 89 CA CYS A 7 -30.905 21.461 -13.896 1.00 0.00 C ATOM 90 C CYS A 7 -31.390 20.909 -15.268 1.00 0.00 C ATOM 91 O CYS A 7 -32.561 20.614 -15.458 1.00 0.00 O ATOM 92 CB CYS A 7 -30.401 22.888 -13.896 1.00 0.00 C ATOM 93 SG CYS A 7 -31.610 24.242 -13.701 1.00 0.00 S ATOM 0 H CYS A 7 -28.882 21.321 -13.436 1.00 0.00 H new ATOM 0 HA CYS A 7 -31.803 21.354 -13.288 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -29.669 22.980 -13.094 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -29.870 23.051 -14.834 1.00 0.00 H new ATOM 98 N ALA A 8 -30.462 20.599 -16.183 1.00 0.00 N ATOM 99 CA ALA A 8 -30.509 19.477 -17.124 1.00 0.00 C ATOM 100 C ALA A 8 -30.060 18.206 -16.416 1.00 0.00 C ATOM 101 O ALA A 8 -29.156 18.212 -15.588 1.00 0.00 O ATOM 102 CB ALA A 8 -29.581 19.854 -18.304 1.00 0.00 C ATOM 0 H ALA A 8 -29.614 21.155 -16.291 1.00 0.00 H new ATOM 0 HA ALA A 8 -31.515 19.287 -17.498 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -29.580 19.048 -19.038 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -29.941 20.770 -18.772 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -28.568 20.010 -17.934 1.00 0.00 H new ATOM 108 N SER A 9 -30.760 17.110 -16.696 1.00 0.00 N ATOM 109 CA SER A 9 -30.834 15.891 -15.919 1.00 0.00 C ATOM 110 C SER A 9 -29.552 15.088 -15.834 1.00 0.00 C ATOM 111 O SER A 9 -28.432 15.440 -16.233 1.00 0.00 O ATOM 112 CB SER A 9 -31.916 15.108 -16.616 1.00 0.00 C ATOM 113 OG SER A 9 -32.562 14.078 -15.883 1.00 0.00 O ATOM 0 H SER A 9 -31.332 17.054 -17.539 1.00 0.00 H new ATOM 0 HA SER A 9 -31.033 16.121 -14.872 1.00 0.00 H new ATOM 0 HB2 SER A 9 -32.679 15.812 -16.948 1.00 0.00 H new ATOM 0 HB3 SER A 9 -31.483 14.662 -17.511 1.00 0.00 H new ATOM 0 HG SER A 9 -33.241 13.652 -16.447 1.00 0.00 H new ATOM 119 N VAL A 10 -29.816 13.899 -15.373 1.00 0.00 N ATOM 120 CA VAL A 10 -29.854 13.541 -13.978 1.00 0.00 C ATOM 121 C VAL A 10 -28.502 13.545 -13.220 1.00 0.00 C ATOM 122 O VAL A 10 -27.454 13.259 -13.776 1.00 0.00 O ATOM 123 CB VAL A 10 -30.657 12.228 -13.997 1.00 0.00 C ATOM 124 CG1 VAL A 10 -29.906 11.132 -14.698 1.00 0.00 C ATOM 125 CG2 VAL A 10 -31.409 12.041 -12.730 1.00 0.00 C ATOM 0 H VAL A 10 -30.021 13.112 -15.988 1.00 0.00 H new ATOM 0 HA VAL A 10 -30.330 14.301 -13.358 1.00 0.00 H new ATOM 0 HB VAL A 10 -31.519 12.232 -14.664 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -30.503 10.220 -14.692 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -29.707 11.429 -15.728 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -28.962 10.951 -14.183 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -31.967 11.105 -12.773 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -30.711 12.009 -11.894 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -32.102 12.871 -12.593 1.00 0.00 H new ATOM 135 N CYS A 11 -28.541 13.939 -11.931 1.00 0.00 N ATOM 136 CA CYS A 11 -27.371 14.256 -11.084 1.00 0.00 C ATOM 137 C CYS A 11 -27.558 13.742 -9.627 1.00 0.00 C ATOM 138 O CYS A 11 -28.594 13.930 -9.004 1.00 0.00 O ATOM 139 CB CYS A 11 -27.162 15.797 -11.124 1.00 0.00 C ATOM 140 SG CYS A 11 -27.969 16.815 -9.805 1.00 0.00 S ATOM 0 H CYS A 11 -29.423 14.050 -11.431 1.00 0.00 H new ATOM 0 HA CYS A 11 -26.486 13.748 -11.468 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -26.090 15.990 -11.087 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -27.517 16.158 -12.089 1.00 0.00 H new ATOM 145 N SER A 12 -26.524 13.074 -9.090 1.00 0.00 N ATOM 146 CA SER A 12 -26.323 12.366 -7.879 1.00 0.00 C ATOM 147 C SER A 12 -26.059 13.171 -6.636 1.00 0.00 C ATOM 148 O SER A 12 -26.406 14.338 -6.453 1.00 0.00 O ATOM 149 CB SER A 12 -25.178 11.461 -8.316 1.00 0.00 C ATOM 150 OG SER A 12 -25.074 11.106 -9.682 1.00 0.00 O ATOM 0 H SER A 12 -25.661 13.034 -9.632 1.00 0.00 H new ATOM 0 HA SER A 12 -27.220 11.862 -7.519 1.00 0.00 H new ATOM 0 HB2 SER A 12 -24.245 11.947 -8.029 1.00 0.00 H new ATOM 0 HB3 SER A 12 -25.248 10.539 -7.739 1.00 0.00 H new ATOM 0 HG SER A 12 -24.294 10.527 -9.811 1.00 0.00 H new ATOM 156 N LEU A 13 -25.507 12.357 -5.783 1.00 0.00 N ATOM 157 CA LEU A 13 -24.963 12.458 -4.463 1.00 0.00 C ATOM 158 C LEU A 13 -23.577 12.974 -4.478 1.00 0.00 C ATOM 159 O LEU A 13 -23.156 13.474 -3.468 1.00 0.00 O ATOM 160 CB LEU A 13 -24.853 10.991 -4.109 1.00 0.00 C ATOM 161 CG LEU A 13 -26.102 10.113 -4.428 1.00 0.00 C ATOM 162 CD1 LEU A 13 -25.825 8.736 -3.940 1.00 0.00 C ATOM 163 CD2 LEU A 13 -27.394 10.748 -3.976 1.00 0.00 C ATOM 0 H LEU A 13 -25.413 11.385 -6.079 1.00 0.00 H new ATOM 0 HA LEU A 13 -25.551 13.104 -3.811 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -23.996 10.574 -4.638 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -24.640 10.910 -3.043 1.00 0.00 H new ATOM 0 HG LEU A 13 -26.271 10.039 -5.502 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -26.683 8.096 -4.149 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -24.945 8.340 -4.447 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -25.644 8.760 -2.865 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -28.228 10.092 -4.224 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -27.364 10.905 -2.898 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -27.524 11.706 -4.479 1.00 0.00 H new ATOM 175 N TYR A 14 -22.956 12.911 -5.643 1.00 0.00 N ATOM 176 CA TYR A 14 -21.600 13.403 -6.026 1.00 0.00 C ATOM 177 C TYR A 14 -21.318 14.354 -7.127 1.00 0.00 C ATOM 178 O TYR A 14 -20.233 14.686 -7.583 1.00 0.00 O ATOM 179 CB TYR A 14 -21.182 12.146 -6.580 1.00 0.00 C ATOM 180 CG TYR A 14 -19.797 11.766 -6.956 1.00 0.00 C ATOM 181 CD1 TYR A 14 -19.143 11.592 -5.735 1.00 0.00 C ATOM 182 CD2 TYR A 14 -19.936 10.666 -7.810 1.00 0.00 C ATOM 183 CE1 TYR A 14 -19.038 10.257 -5.259 1.00 0.00 C ATOM 184 CE2 TYR A 14 -20.512 9.603 -7.093 1.00 0.00 C ATOM 185 CZ TYR A 14 -19.843 9.253 -5.889 1.00 0.00 C ATOM 186 OH TYR A 14 -20.206 8.132 -5.222 1.00 0.00 O ATOM 0 H TYR A 14 -23.417 12.473 -6.441 1.00 0.00 H new ATOM 0 HA TYR A 14 -21.185 13.950 -5.179 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -21.510 11.389 -5.867 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -21.777 12.012 -7.483 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -18.739 12.427 -5.182 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -19.648 10.638 -8.850 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -18.371 10.007 -4.447 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -21.399 9.089 -7.433 1.00 0.00 H new ATOM 0 HH TYR A 14 -20.751 7.565 -5.807 1.00 0.00 H new ATOM 196 N GLN A 15 -22.452 14.846 -7.333 1.00 0.00 N ATOM 197 CA GLN A 15 -22.659 16.268 -7.181 1.00 0.00 C ATOM 198 C GLN A 15 -22.400 16.632 -5.709 1.00 0.00 C ATOM 199 O GLN A 15 -21.491 17.306 -5.303 1.00 0.00 O ATOM 200 CB GLN A 15 -24.087 16.421 -7.643 1.00 0.00 C ATOM 201 CG GLN A 15 -24.580 15.488 -8.711 1.00 0.00 C ATOM 202 CD GLN A 15 -23.767 15.236 -10.000 1.00 0.00 C ATOM 203 OE1 GLN A 15 -23.322 14.140 -10.255 1.00 0.00 O ATOM 204 NE2 GLN A 15 -23.628 16.192 -10.888 1.00 0.00 N ATOM 0 H GLN A 15 -23.277 14.314 -7.610 1.00 0.00 H new ATOM 0 HA GLN A 15 -22.004 16.934 -7.743 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -24.735 16.307 -6.774 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -24.215 17.441 -8.004 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -24.733 14.518 -8.238 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -25.560 15.850 -9.020 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -23.995 17.124 -10.696 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -23.153 16.003 -11.771 1.00 0.00 H new ATOM 213 N LEU A 16 -23.176 15.990 -4.901 1.00 0.00 N ATOM 214 CA LEU A 16 -23.569 16.357 -3.558 1.00 0.00 C ATOM 215 C LEU A 16 -22.730 15.947 -2.344 1.00 0.00 C ATOM 216 O LEU A 16 -23.068 16.104 -1.165 1.00 0.00 O ATOM 217 CB LEU A 16 -25.013 15.902 -3.671 1.00 0.00 C ATOM 218 CG LEU A 16 -25.962 16.804 -4.462 1.00 0.00 C ATOM 219 CD1 LEU A 16 -27.352 16.500 -4.039 1.00 0.00 C ATOM 220 CD2 LEU A 16 -25.483 18.208 -4.672 1.00 0.00 C ATOM 0 H LEU A 16 -23.599 15.105 -5.182 1.00 0.00 H new ATOM 0 HA LEU A 16 -23.402 17.400 -3.291 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -25.022 14.914 -4.130 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -25.413 15.789 -2.663 1.00 0.00 H new ATOM 0 HG LEU A 16 -25.968 16.574 -5.528 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -28.047 17.133 -4.591 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -27.574 15.453 -4.244 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -27.457 16.691 -2.971 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -26.226 18.765 -5.243 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -25.332 18.689 -3.706 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -24.541 18.193 -5.221 1.00 0.00 H new ATOM 232 N GLU A 17 -21.564 15.525 -2.748 1.00 0.00 N ATOM 233 CA GLU A 17 -20.279 15.418 -2.051 1.00 0.00 C ATOM 234 C GLU A 17 -19.302 16.477 -2.507 1.00 0.00 C ATOM 235 O GLU A 17 -18.654 17.160 -1.723 1.00 0.00 O ATOM 236 CB GLU A 17 -19.595 14.141 -2.529 1.00 0.00 C ATOM 237 CG GLU A 17 -20.538 13.006 -2.441 1.00 0.00 C ATOM 238 CD GLU A 17 -19.952 11.609 -2.265 1.00 0.00 C ATOM 239 OE1 GLU A 17 -18.789 11.377 -1.906 1.00 0.00 O ATOM 240 OE2 GLU A 17 -20.862 10.616 -2.513 1.00 0.00 O ATOM 0 H GLU A 17 -21.463 15.198 -3.709 1.00 0.00 H new ATOM 0 HA GLU A 17 -20.492 15.480 -0.984 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -19.253 14.263 -3.557 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -18.712 13.941 -1.921 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -21.212 13.194 -1.606 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -21.145 13.003 -3.346 1.00 0.00 H new ATOM 248 N ASN A 18 -19.197 16.505 -3.837 1.00 0.00 N ATOM 249 CA ASN A 18 -18.035 16.893 -4.598 1.00 0.00 C ATOM 250 C ASN A 18 -17.593 18.307 -4.349 1.00 0.00 C ATOM 251 O ASN A 18 -16.505 18.731 -3.937 1.00 0.00 O ATOM 252 CB ASN A 18 -18.429 16.698 -6.048 1.00 0.00 C ATOM 253 CG ASN A 18 -17.429 16.108 -6.982 1.00 0.00 C ATOM 254 OD1 ASN A 18 -16.877 16.645 -7.931 1.00 0.00 O ATOM 255 ND2 ASN A 18 -17.235 14.913 -6.584 1.00 0.00 N ATOM 0 H ASN A 18 -19.977 16.238 -4.438 1.00 0.00 H new ATOM 0 HA ASN A 18 -17.177 16.288 -4.305 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -19.316 16.065 -6.068 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -18.722 17.670 -6.446 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -16.568 14.315 -7.072 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -17.747 14.555 -5.778 1.00 0.00 H new ATOM 262 N TYR A 19 -18.661 19.003 -4.634 1.00 0.00 N ATOM 263 CA TYR A 19 -18.920 20.424 -4.611 1.00 0.00 C ATOM 264 C TYR A 19 -18.858 21.019 -3.215 1.00 0.00 C ATOM 265 O TYR A 19 -18.060 21.848 -2.785 1.00 0.00 O ATOM 266 CB TYR A 19 -20.315 20.439 -5.181 1.00 0.00 C ATOM 267 CG TYR A 19 -20.352 20.668 -6.603 1.00 0.00 C ATOM 268 CD1 TYR A 19 -19.864 21.846 -7.124 1.00 0.00 C ATOM 269 CD2 TYR A 19 -20.255 19.500 -7.354 1.00 0.00 C ATOM 270 CE1 TYR A 19 -19.461 21.788 -8.443 1.00 0.00 C ATOM 271 CE2 TYR A 19 -19.005 19.462 -7.918 1.00 0.00 C ATOM 272 CZ TYR A 19 -18.856 20.557 -8.826 1.00 0.00 C ATOM 273 OH TYR A 19 -18.576 20.280 -10.136 1.00 0.00 O ATOM 0 H TYR A 19 -19.501 18.509 -4.935 1.00 0.00 H new ATOM 0 HA TYR A 19 -18.191 21.026 -5.154 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -20.799 19.487 -4.961 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -20.895 21.214 -4.681 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -19.801 22.753 -6.541 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -21.028 18.755 -7.472 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -19.594 22.611 -9.130 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -18.249 18.719 -7.709 1.00 0.00 H new ATOM 0 HH TYR A 19 -18.164 19.393 -10.202 1.00 0.00 H new ATOM 283 N CYS A 20 -19.856 20.469 -2.582 1.00 0.00 N ATOM 284 CA CYS A 20 -20.640 20.832 -1.411 1.00 0.00 C ATOM 285 C CYS A 20 -19.732 21.152 -0.219 1.00 0.00 C ATOM 286 O CYS A 20 -19.066 20.272 0.348 1.00 0.00 O ATOM 287 CB CYS A 20 -21.487 19.548 -1.278 1.00 0.00 C ATOM 288 SG CYS A 20 -22.411 19.101 0.221 1.00 0.00 S ATOM 0 H CYS A 20 -20.210 19.583 -2.943 1.00 0.00 H new ATOM 0 HA CYS A 20 -21.245 21.737 -1.473 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -22.215 19.576 -2.089 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -20.814 18.715 -1.482 1.00 0.00 H new ATOM 293 N ASN A 21 -19.691 22.438 0.149 1.00 0.00 N ATOM 294 CA ASN A 21 -18.792 23.078 1.092 1.00 0.00 C ATOM 295 C ASN A 21 -19.171 22.928 2.581 1.00 0.00 C ATOM 296 O ASN A 21 -18.480 22.188 3.315 1.00 0.00 O ATOM 297 CB ASN A 21 -18.854 24.533 0.608 1.00 0.00 C ATOM 298 CG ASN A 21 -17.955 25.475 1.331 1.00 0.00 C ATOM 299 OD1 ASN A 21 -16.862 25.800 0.885 1.00 0.00 O ATOM 300 ND2 ASN A 21 -18.376 25.925 2.490 1.00 0.00 N ATOM 301 OXT ASN A 21 -20.153 23.569 3.015 1.00 0.00 O ATOM 0 H ASN A 21 -20.349 23.110 -0.246 1.00 0.00 H new ATOM 0 HA ASN A 21 -17.799 22.628 1.093 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -18.605 24.558 -0.453 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -19.880 24.888 0.703 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -17.790 26.557 3.035 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -19.290 25.643 2.845 1.00 0.00 H new TER 308 ASN A 21 ATOM 309 N PHE B 1 -29.589 8.886 -10.542 1.00 0.00 N ATOM 310 CA PHE B 1 -29.316 8.204 -9.262 1.00 0.00 C ATOM 311 C PHE B 1 -30.644 8.042 -8.483 1.00 0.00 C ATOM 312 O PHE B 1 -31.695 7.762 -9.048 1.00 0.00 O ATOM 313 CB PHE B 1 -28.170 8.927 -8.489 1.00 0.00 C ATOM 314 CG PHE B 1 -27.431 8.005 -7.593 1.00 0.00 C ATOM 315 CD1 PHE B 1 -27.822 7.847 -6.255 1.00 0.00 C ATOM 316 CD2 PHE B 1 -26.996 6.929 -8.354 1.00 0.00 C ATOM 317 CE1 PHE B 1 -28.102 6.549 -5.831 1.00 0.00 C ATOM 318 CE2 PHE B 1 -27.641 5.752 -8.076 1.00 0.00 C ATOM 319 CZ PHE B 1 -28.108 5.490 -6.771 1.00 0.00 C ATOM 0 H1 PHE B 1 -28.704 8.983 -11.079 1.00 0.00 H new ATOM 0 H2 PHE B 1 -30.270 8.327 -11.095 1.00 0.00 H new ATOM 0 H3 PHE B 1 -29.986 9.829 -10.355 1.00 0.00 H new ATOM 0 HA PHE B 1 -28.937 7.195 -9.424 1.00 0.00 H new ATOM 0 HB2 PHE B 1 -27.476 9.371 -9.203 1.00 0.00 H new ATOM 0 HB3 PHE B 1 -28.589 9.744 -7.901 1.00 0.00 H new ATOM 0 HD1 PHE B 1 -27.902 8.691 -5.586 1.00 0.00 H new ATOM 0 HD2 PHE B 1 -26.218 7.012 -9.099 1.00 0.00 H new ATOM 0 HE1 PHE B 1 -28.313 6.352 -4.790 1.00 0.00 H new ATOM 0 HE2 PHE B 1 -27.792 5.023 -8.858 1.00 0.00 H new ATOM 0 HZ PHE B 1 -28.461 4.507 -6.496 1.00 0.00 H new ATOM 331 N VAL B 2 -30.624 8.268 -7.163 1.00 0.00 N ATOM 332 CA VAL B 2 -31.757 8.632 -6.322 1.00 0.00 C ATOM 333 C VAL B 2 -32.173 10.020 -6.661 1.00 0.00 C ATOM 334 O VAL B 2 -33.270 10.330 -7.104 1.00 0.00 O ATOM 335 CB VAL B 2 -31.325 8.559 -4.851 1.00 0.00 C ATOM 336 CG1 VAL B 2 -32.187 9.287 -3.813 1.00 0.00 C ATOM 337 CG2 VAL B 2 -31.396 7.069 -4.462 1.00 0.00 C ATOM 0 H VAL B 2 -29.759 8.195 -6.627 1.00 0.00 H new ATOM 0 HA VAL B 2 -32.592 7.951 -6.486 1.00 0.00 H new ATOM 0 HB VAL B 2 -30.350 9.046 -4.819 1.00 0.00 H new ATOM 0 HG11 VAL B 2 -31.758 9.146 -2.821 1.00 0.00 H new ATOM 0 HG12 VAL B 2 -32.218 10.351 -4.047 1.00 0.00 H new ATOM 0 HG13 VAL B 2 -33.199 8.882 -3.832 1.00 0.00 H new ATOM 0 HG21 VAL B 2 -31.098 6.950 -3.420 1.00 0.00 H new ATOM 0 HG22 VAL B 2 -32.416 6.707 -4.591 1.00 0.00 H new ATOM 0 HG23 VAL B 2 -30.724 6.494 -5.099 1.00 0.00 H new ATOM 347 N ASN B 3 -31.171 10.845 -6.488 1.00 0.00 N ATOM 348 CA ASN B 3 -31.129 12.198 -6.947 1.00 0.00 C ATOM 349 C ASN B 3 -31.025 12.250 -8.465 1.00 0.00 C ATOM 350 O ASN B 3 -30.639 11.321 -9.189 1.00 0.00 O ATOM 351 CB ASN B 3 -29.990 12.967 -6.296 1.00 0.00 C ATOM 352 CG ASN B 3 -30.217 13.350 -4.876 1.00 0.00 C ATOM 353 OD1 ASN B 3 -30.468 12.289 -4.195 1.00 0.00 O flip ATOM 354 ND2 ASN B 3 -30.250 14.471 -4.412 1.00 0.00 N flip ATOM 0 H ASN B 3 -30.321 10.570 -5.996 1.00 0.00 H new ATOM 0 HA ASN B 3 -32.062 12.680 -6.654 1.00 0.00 H new ATOM 0 HB2 ASN B 3 -29.085 12.362 -6.353 1.00 0.00 H new ATOM 0 HB3 ASN B 3 -29.806 13.872 -6.875 1.00 0.00 H new ATOM 0 HD21 ASN B 3 -30.041 15.275 -5.004 1.00 0.00 H new ATOM 0 HD22 ASN B 3 -30.487 14.610 -3.430 1.00 0.00 H new ATOM 361 N GLN B 4 -31.519 13.406 -8.860 1.00 0.00 N ATOM 362 CA GLN B 4 -32.479 13.558 -9.890 1.00 0.00 C ATOM 363 C GLN B 4 -32.154 14.794 -10.700 1.00 0.00 C ATOM 364 O GLN B 4 -31.060 15.100 -11.199 1.00 0.00 O ATOM 365 CB GLN B 4 -33.808 13.447 -9.103 1.00 0.00 C ATOM 366 CG GLN B 4 -34.131 14.439 -7.967 1.00 0.00 C ATOM 367 CD GLN B 4 -34.860 13.799 -6.759 1.00 0.00 C ATOM 368 OE1 GLN B 4 -34.432 12.684 -6.156 1.00 0.00 O flip ATOM 369 NE2 GLN B 4 -35.877 14.315 -6.310 1.00 0.00 N flip ATOM 0 H GLN B 4 -31.238 14.293 -8.442 1.00 0.00 H new ATOM 0 HA GLN B 4 -32.519 12.824 -10.695 1.00 0.00 H new ATOM 0 HB2 GLN B 4 -34.618 13.515 -9.829 1.00 0.00 H new ATOM 0 HB3 GLN B 4 -33.846 12.445 -8.675 1.00 0.00 H new ATOM 0 HG2 GLN B 4 -33.203 14.892 -7.619 1.00 0.00 H new ATOM 0 HG3 GLN B 4 -34.748 15.244 -8.366 1.00 0.00 H new ATOM 0 HE21 GLN B 4 -36.246 15.167 -6.733 1.00 0.00 H new ATOM 0 HE22 GLN B 4 -36.354 13.893 -5.513 1.00 0.00 H new ATOM 378 N HIS B 5 -33.300 15.291 -10.969 1.00 0.00 N ATOM 379 CA HIS B 5 -33.817 15.592 -12.295 1.00 0.00 C ATOM 380 C HIS B 5 -33.629 17.028 -12.667 1.00 0.00 C ATOM 381 O HIS B 5 -33.311 17.462 -13.777 1.00 0.00 O ATOM 382 CB HIS B 5 -35.297 15.217 -12.198 1.00 0.00 C ATOM 383 CG HIS B 5 -35.900 14.279 -13.237 1.00 0.00 C ATOM 384 ND1 HIS B 5 -36.757 13.389 -12.659 1.00 0.00 N flip ATOM 385 CD2 HIS B 5 -34.947 13.449 -13.803 1.00 0.00 C flip ATOM 386 CE1 HIS B 5 -35.985 12.295 -12.397 1.00 0.00 C flip ATOM 387 NE2 HIS B 5 -34.748 12.578 -12.829 1.00 0.00 N flip ATOM 0 H HIS B 5 -33.967 15.523 -10.233 1.00 0.00 H new ATOM 0 HA HIS B 5 -33.293 15.044 -13.078 1.00 0.00 H new ATOM 0 HB2 HIS B 5 -35.457 14.767 -11.218 1.00 0.00 H new ATOM 0 HB3 HIS B 5 -35.871 16.143 -12.221 1.00 0.00 H new ATOM 0 HD1 HIS B 5 -37.751 13.513 -12.466 1.00 0.00 H new ATOM 0 HD2 HIS B 5 -34.489 13.500 -14.780 1.00 0.00 H new ATOM 0 HE1 HIS B 5 -36.309 11.376 -11.931 1.00 0.00 H new ATOM 395 N LEU B 6 -34.032 17.669 -11.610 1.00 0.00 N ATOM 396 CA LEU B 6 -34.592 18.978 -11.538 1.00 0.00 C ATOM 397 C LEU B 6 -33.663 20.158 -11.240 1.00 0.00 C ATOM 398 O LEU B 6 -32.505 20.066 -10.848 1.00 0.00 O ATOM 399 CB LEU B 6 -35.848 19.005 -10.674 1.00 0.00 C ATOM 400 CG LEU B 6 -37.231 19.226 -11.357 1.00 0.00 C ATOM 401 CD1 LEU B 6 -37.816 20.525 -10.787 1.00 0.00 C ATOM 402 CD2 LEU B 6 -37.259 19.440 -12.883 1.00 0.00 C ATOM 0 H LEU B 6 -33.968 17.241 -10.686 1.00 0.00 H new ATOM 0 HA LEU B 6 -34.850 19.168 -12.580 1.00 0.00 H new ATOM 0 HB2 LEU B 6 -35.896 18.060 -10.133 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -35.719 19.792 -9.930 1.00 0.00 H new ATOM 0 HG LEU B 6 -37.768 18.298 -11.159 1.00 0.00 H new ATOM 0 HD11 LEU B 6 -38.788 20.716 -11.241 1.00 0.00 H new ATOM 0 HD12 LEU B 6 -37.933 20.429 -9.708 1.00 0.00 H new ATOM 0 HD13 LEU B 6 -37.143 21.354 -11.007 1.00 0.00 H new ATOM 0 HD21 LEU B 6 -38.289 19.580 -13.212 1.00 0.00 H new ATOM 0 HD22 LEU B 6 -36.674 20.324 -13.137 1.00 0.00 H new ATOM 0 HD23 LEU B 6 -36.834 18.568 -13.381 1.00 0.00 H new ATOM 414 N CYS B 7 -34.321 21.278 -11.455 1.00 0.00 N ATOM 415 CA CYS B 7 -33.767 22.567 -11.809 1.00 0.00 C ATOM 416 C CYS B 7 -34.273 23.706 -10.906 1.00 0.00 C ATOM 417 O CYS B 7 -34.002 24.894 -11.125 1.00 0.00 O ATOM 418 CB CYS B 7 -34.219 22.646 -13.258 1.00 0.00 C ATOM 419 SG CYS B 7 -33.423 23.716 -14.482 1.00 0.00 S ATOM 0 H CYS B 7 -35.338 21.312 -11.381 1.00 0.00 H new ATOM 0 HA CYS B 7 -32.690 22.672 -11.679 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -34.168 21.632 -13.654 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -35.272 22.928 -13.239 1.00 0.00 H new ATOM 424 N GLY B 8 -35.036 23.349 -9.868 1.00 0.00 N ATOM 425 CA GLY B 8 -35.587 24.214 -8.829 1.00 0.00 C ATOM 426 C GLY B 8 -34.610 24.714 -7.787 1.00 0.00 C ATOM 427 O GLY B 8 -33.377 24.595 -7.836 1.00 0.00 O ATOM 0 H GLY B 8 -35.302 22.375 -9.725 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -36.046 25.078 -9.310 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -36.384 23.672 -8.319 1.00 0.00 H new ATOM 431 N SER B 9 -35.273 25.293 -6.814 1.00 0.00 N ATOM 432 CA SER B 9 -34.778 26.020 -5.628 1.00 0.00 C ATOM 433 C SER B 9 -35.048 25.444 -4.301 1.00 0.00 C ATOM 434 O SER B 9 -34.576 25.846 -3.254 1.00 0.00 O ATOM 435 CB SER B 9 -35.512 27.337 -5.583 1.00 0.00 C ATOM 436 OG SER B 9 -35.264 28.116 -6.747 1.00 0.00 O ATOM 0 H SER B 9 -36.293 25.274 -6.819 1.00 0.00 H new ATOM 0 HA SER B 9 -33.697 26.031 -5.766 1.00 0.00 H new ATOM 0 HB2 SER B 9 -36.582 27.154 -5.488 1.00 0.00 H new ATOM 0 HB3 SER B 9 -35.204 27.895 -4.699 1.00 0.00 H new ATOM 0 HG SER B 9 -35.756 28.961 -6.686 1.00 0.00 H new ATOM 442 N HIS B 10 -35.766 24.384 -4.409 1.00 0.00 N ATOM 443 CA HIS B 10 -36.250 23.584 -3.354 1.00 0.00 C ATOM 444 C HIS B 10 -36.095 22.109 -3.270 1.00 0.00 C ATOM 445 O HIS B 10 -36.542 21.340 -2.421 1.00 0.00 O ATOM 446 CB HIS B 10 -37.713 23.875 -3.537 1.00 0.00 C ATOM 447 CG HIS B 10 -38.340 24.227 -2.255 1.00 0.00 C ATOM 448 ND1 HIS B 10 -37.685 25.214 -1.615 1.00 0.00 N flip ATOM 449 CD2 HIS B 10 -39.216 23.584 -1.386 1.00 0.00 C flip ATOM 450 CE1 HIS B 10 -38.169 25.247 -0.322 1.00 0.00 C flip ATOM 451 NE2 HIS B 10 -39.099 24.262 -0.222 1.00 0.00 N flip ATOM 0 H HIS B 10 -36.052 24.028 -5.321 1.00 0.00 H new ATOM 0 HA HIS B 10 -35.675 23.838 -2.464 1.00 0.00 H new ATOM 0 HB2 HIS B 10 -37.840 24.693 -4.246 1.00 0.00 H new ATOM 0 HB3 HIS B 10 -38.211 23.004 -3.963 1.00 0.00 H new ATOM 0 HD2 HIS B 10 -39.848 22.733 -1.595 1.00 0.00 H new ATOM 0 HE1 HIS B 10 -37.866 25.927 0.461 1.00 0.00 H new ATOM 0 HE2 HIS B 10 -39.638 24.060 0.620 1.00 0.00 H new ATOM 459 N LEU B 11 -35.379 21.913 -4.287 1.00 0.00 N ATOM 460 CA LEU B 11 -34.016 21.493 -4.290 1.00 0.00 C ATOM 461 C LEU B 11 -32.835 22.281 -4.792 1.00 0.00 C ATOM 462 O LEU B 11 -31.908 21.793 -5.424 1.00 0.00 O ATOM 463 CB LEU B 11 -34.182 20.104 -4.886 1.00 0.00 C ATOM 464 CG LEU B 11 -34.766 20.062 -6.337 1.00 0.00 C ATOM 465 CD1 LEU B 11 -36.298 20.075 -6.368 1.00 0.00 C ATOM 466 CD2 LEU B 11 -34.422 21.249 -7.221 1.00 0.00 C ATOM 0 H LEU B 11 -35.743 22.048 -5.230 1.00 0.00 H new ATOM 0 HA LEU B 11 -33.625 21.626 -3.281 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -33.210 19.610 -4.889 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -34.833 19.522 -4.233 1.00 0.00 H new ATOM 0 HG LEU B 11 -34.314 19.140 -6.704 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -36.641 20.044 -7.402 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -36.680 19.206 -5.833 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -36.664 20.984 -5.891 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -34.877 21.116 -8.202 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -34.802 22.164 -6.766 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -33.340 21.320 -7.330 1.00 0.00 H new ATOM 478 N VAL B 12 -32.723 23.369 -4.038 1.00 0.00 N ATOM 479 CA VAL B 12 -31.590 23.875 -3.311 1.00 0.00 C ATOM 480 C VAL B 12 -31.832 23.997 -1.874 1.00 0.00 C ATOM 481 O VAL B 12 -30.921 24.059 -1.100 1.00 0.00 O ATOM 482 CB VAL B 12 -31.369 25.283 -3.840 1.00 0.00 C ATOM 483 CG1 VAL B 12 -31.189 26.436 -2.869 1.00 0.00 C ATOM 484 CG2 VAL B 12 -31.196 25.329 -5.326 1.00 0.00 C ATOM 0 H VAL B 12 -33.528 23.983 -3.915 1.00 0.00 H new ATOM 0 HA VAL B 12 -30.751 23.192 -3.445 1.00 0.00 H new ATOM 0 HB VAL B 12 -31.965 26.195 -3.805 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -31.044 27.362 -3.426 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -32.076 26.525 -2.242 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -30.318 26.250 -2.241 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -31.042 26.361 -5.643 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -30.331 24.729 -5.610 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -32.088 24.931 -5.809 1.00 0.00 H new ATOM 494 N GLU B 13 -33.078 24.010 -1.548 1.00 0.00 N ATOM 495 CA GLU B 13 -33.589 23.790 -0.226 1.00 0.00 C ATOM 496 C GLU B 13 -34.483 22.619 0.047 1.00 0.00 C ATOM 497 O GLU B 13 -35.168 22.415 1.042 1.00 0.00 O ATOM 498 CB GLU B 13 -34.412 25.006 0.103 1.00 0.00 C ATOM 499 CG GLU B 13 -33.887 26.408 -0.113 1.00 0.00 C ATOM 500 CD GLU B 13 -34.887 27.495 0.295 1.00 0.00 C ATOM 501 OE1 GLU B 13 -35.982 27.318 0.813 1.00 0.00 O ATOM 502 OE2 GLU B 13 -34.486 28.737 -0.005 1.00 0.00 O ATOM 0 H GLU B 13 -33.815 24.184 -2.231 1.00 0.00 H new ATOM 0 HA GLU B 13 -32.696 23.586 0.365 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -35.337 24.924 -0.468 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -34.680 24.929 1.157 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -32.967 26.537 0.457 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -33.630 26.535 -1.165 1.00 0.00 H new ATOM 510 N ALA B 14 -34.243 21.781 -0.881 1.00 0.00 N ATOM 511 CA ALA B 14 -33.616 20.544 -0.431 1.00 0.00 C ATOM 512 C ALA B 14 -32.146 20.550 -0.244 1.00 0.00 C ATOM 513 O ALA B 14 -31.640 19.963 0.683 1.00 0.00 O ATOM 514 CB ALA B 14 -33.890 19.549 -1.511 1.00 0.00 C ATOM 0 H ALA B 14 -34.438 21.881 -1.877 1.00 0.00 H new ATOM 0 HA ALA B 14 -34.029 20.341 0.557 1.00 0.00 H new ATOM 0 HB1 ALA B 14 -33.447 18.590 -1.243 1.00 0.00 H new ATOM 0 HB2 ALA B 14 -34.967 19.431 -1.632 1.00 0.00 H new ATOM 0 HB3 ALA B 14 -33.456 19.900 -2.447 1.00 0.00 H new ATOM 520 N LEU B 15 -31.415 21.151 -1.159 1.00 0.00 N ATOM 521 CA LEU B 15 -30.092 20.628 -1.381 1.00 0.00 C ATOM 522 C LEU B 15 -29.202 21.060 -0.206 1.00 0.00 C ATOM 523 O LEU B 15 -28.426 20.329 0.392 1.00 0.00 O ATOM 524 CB LEU B 15 -29.777 20.711 -2.899 1.00 0.00 C ATOM 525 CG LEU B 15 -28.513 21.445 -3.381 1.00 0.00 C ATOM 526 CD1 LEU B 15 -28.554 22.947 -3.129 1.00 0.00 C ATOM 527 CD2 LEU B 15 -27.462 20.991 -2.444 1.00 0.00 C ATOM 0 H LEU B 15 -31.693 21.951 -1.727 1.00 0.00 H new ATOM 0 HA LEU B 15 -29.883 19.562 -1.292 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -29.723 19.690 -3.276 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -30.632 21.184 -3.383 1.00 0.00 H new ATOM 0 HG LEU B 15 -28.381 21.252 -4.446 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -27.633 23.402 -3.493 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -29.405 23.381 -3.654 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -28.654 23.134 -2.060 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -26.514 21.461 -2.705 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -27.737 21.269 -1.426 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -27.360 19.908 -2.509 1.00 0.00 H new ATOM 539 N TYR B 16 -29.456 22.282 0.192 1.00 0.00 N ATOM 540 CA TYR B 16 -29.020 22.846 1.467 1.00 0.00 C ATOM 541 C TYR B 16 -29.009 21.901 2.657 1.00 0.00 C ATOM 542 O TYR B 16 -28.086 21.776 3.451 1.00 0.00 O ATOM 543 CB TYR B 16 -30.051 23.888 1.735 1.00 0.00 C ATOM 544 CG TYR B 16 -29.911 25.089 2.642 1.00 0.00 C ATOM 545 CD1 TYR B 16 -30.743 26.061 2.049 1.00 0.00 C ATOM 546 CD2 TYR B 16 -28.560 25.392 2.772 1.00 0.00 C ATOM 547 CE1 TYR B 16 -30.227 26.577 0.826 1.00 0.00 C ATOM 548 CE2 TYR B 16 -28.018 25.987 1.628 1.00 0.00 C ATOM 549 CZ TYR B 16 -28.806 26.640 0.664 1.00 0.00 C ATOM 550 OH TYR B 16 -28.252 26.953 -0.538 1.00 0.00 O ATOM 0 H TYR B 16 -29.989 22.942 -0.374 1.00 0.00 H new ATOM 0 HA TYR B 16 -27.984 23.171 1.372 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -30.316 24.292 0.758 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -30.922 23.346 2.103 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -31.680 26.383 2.480 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -27.988 25.189 3.665 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -30.890 26.912 0.042 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -26.949 25.943 1.479 1.00 0.00 H new ATOM 0 HH TYR B 16 -27.275 26.949 -0.459 1.00 0.00 H new ATOM 560 N LEU B 17 -30.155 21.273 2.681 1.00 0.00 N ATOM 561 CA LEU B 17 -30.787 20.534 3.742 1.00 0.00 C ATOM 562 C LEU B 17 -30.390 19.081 3.860 1.00 0.00 C ATOM 563 O LEU B 17 -30.650 18.378 4.842 1.00 0.00 O ATOM 564 CB LEU B 17 -32.272 20.858 3.568 1.00 0.00 C ATOM 565 CG LEU B 17 -32.599 22.328 3.808 1.00 0.00 C ATOM 566 CD1 LEU B 17 -34.099 22.515 4.064 1.00 0.00 C ATOM 567 CD2 LEU B 17 -31.888 23.033 4.972 1.00 0.00 C ATOM 0 H LEU B 17 -30.743 21.268 1.847 1.00 0.00 H new ATOM 0 HA LEU B 17 -30.443 20.837 4.731 1.00 0.00 H new ATOM 0 HB2 LEU B 17 -32.581 20.584 2.559 1.00 0.00 H new ATOM 0 HB3 LEU B 17 -32.854 20.246 4.257 1.00 0.00 H new ATOM 0 HG LEU B 17 -32.238 22.787 2.888 1.00 0.00 H new ATOM 0 HD11 LEU B 17 -34.310 23.571 4.233 1.00 0.00 H new ATOM 0 HD12 LEU B 17 -34.662 22.166 3.198 1.00 0.00 H new ATOM 0 HD13 LEU B 17 -34.392 21.941 4.943 1.00 0.00 H new ATOM 0 HD21 LEU B 17 -32.216 24.071 5.024 1.00 0.00 H new ATOM 0 HD22 LEU B 17 -32.132 22.528 5.907 1.00 0.00 H new ATOM 0 HD23 LEU B 17 -30.810 23.001 4.813 1.00 0.00 H new ATOM 579 N VAL B 18 -29.732 18.674 2.795 1.00 0.00 N ATOM 580 CA VAL B 18 -29.322 17.341 2.378 1.00 0.00 C ATOM 581 C VAL B 18 -27.883 17.027 2.626 1.00 0.00 C ATOM 582 O VAL B 18 -27.465 16.039 3.238 1.00 0.00 O ATOM 583 CB VAL B 18 -29.659 17.341 0.875 1.00 0.00 C ATOM 584 CG1 VAL B 18 -28.719 16.758 -0.097 1.00 0.00 C ATOM 585 CG2 VAL B 18 -31.111 17.064 0.766 1.00 0.00 C ATOM 0 H VAL B 18 -29.430 19.362 2.106 1.00 0.00 H new ATOM 0 HA VAL B 18 -29.830 16.567 2.952 1.00 0.00 H new ATOM 0 HB VAL B 18 -29.451 18.329 0.464 1.00 0.00 H new ATOM 0 HG11 VAL B 18 -29.130 16.852 -1.102 1.00 0.00 H new ATOM 0 HG12 VAL B 18 -27.767 17.286 -0.044 1.00 0.00 H new ATOM 0 HG13 VAL B 18 -28.563 15.704 0.135 1.00 0.00 H new ATOM 0 HG21 VAL B 18 -31.402 17.053 -0.285 1.00 0.00 H new ATOM 0 HG22 VAL B 18 -31.331 16.095 1.213 1.00 0.00 H new ATOM 0 HG23 VAL B 18 -31.670 17.840 1.289 1.00 0.00 H new ATOM 595 N CYS B 19 -27.173 17.972 2.109 1.00 0.00 N ATOM 596 CA CYS B 19 -25.731 18.100 2.018 1.00 0.00 C ATOM 597 C CYS B 19 -25.203 18.410 3.411 1.00 0.00 C ATOM 598 O CYS B 19 -24.305 17.760 3.978 1.00 0.00 O ATOM 599 CB CYS B 19 -25.540 19.188 0.971 1.00 0.00 C ATOM 600 SG CYS B 19 -24.341 18.829 -0.386 1.00 0.00 S ATOM 0 H CYS B 19 -27.632 18.778 1.685 1.00 0.00 H new ATOM 0 HA CYS B 19 -25.175 17.215 1.709 1.00 0.00 H new ATOM 0 HB2 CYS B 19 -26.510 19.402 0.521 1.00 0.00 H new ATOM 0 HB3 CYS B 19 -25.217 20.097 1.479 1.00 0.00 H new ATOM 605 N GLY B 20 -25.996 19.289 4.035 1.00 0.00 N ATOM 606 CA GLY B 20 -26.424 19.086 5.439 1.00 0.00 C ATOM 607 C GLY B 20 -25.459 19.588 6.511 1.00 0.00 C ATOM 608 O GLY B 20 -25.663 20.641 7.144 1.00 0.00 O ATOM 0 H GLY B 20 -26.355 20.140 3.603 1.00 0.00 H new ATOM 0 HA2 GLY B 20 -27.384 19.582 5.581 1.00 0.00 H new ATOM 0 HA3 GLY B 20 -26.590 18.020 5.597 1.00 0.00 H new ATOM 612 N GLU B 21 -24.406 18.804 6.703 1.00 0.00 N ATOM 613 CA GLU B 21 -23.142 19.061 7.347 1.00 0.00 C ATOM 614 C GLU B 21 -22.514 20.375 6.886 1.00 0.00 C ATOM 615 O GLU B 21 -22.570 21.436 7.511 1.00 0.00 O ATOM 616 CB GLU B 21 -22.338 17.830 6.891 1.00 0.00 C ATOM 617 CG GLU B 21 -22.665 16.504 7.507 1.00 0.00 C ATOM 618 CD GLU B 21 -22.315 16.317 8.988 1.00 0.00 C ATOM 619 OE1 GLU B 21 -21.672 17.114 9.665 1.00 0.00 O ATOM 620 OE2 GLU B 21 -22.780 15.167 9.527 1.00 0.00 O ATOM 0 H GLU B 21 -24.433 17.844 6.360 1.00 0.00 H new ATOM 0 HA GLU B 21 -23.201 19.183 8.429 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -22.458 17.735 5.812 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -21.283 18.033 7.078 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -23.734 16.330 7.387 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -22.150 15.730 6.937 1.00 0.00 H new ATOM 628 N ARG B 22 -22.080 20.212 5.660 1.00 0.00 N ATOM 629 CA ARG B 22 -21.909 21.162 4.578 1.00 0.00 C ATOM 630 C ARG B 22 -23.082 22.126 4.508 1.00 0.00 C ATOM 631 O ARG B 22 -24.246 21.761 4.669 1.00 0.00 O ATOM 632 CB ARG B 22 -21.771 20.290 3.324 1.00 0.00 C ATOM 633 CG ARG B 22 -20.541 19.335 3.467 1.00 0.00 C ATOM 634 CD ARG B 22 -20.957 17.881 3.246 1.00 0.00 C ATOM 635 NE ARG B 22 -19.843 16.927 3.473 1.00 0.00 N ATOM 636 CZ ARG B 22 -19.946 15.605 3.469 1.00 0.00 C ATOM 637 NH1 ARG B 22 -21.111 15.021 3.360 1.00 0.00 N ATOM 638 NH2 ARG B 22 -18.911 14.850 3.623 1.00 0.00 N ATOM 0 H ARG B 22 -21.799 19.281 5.353 1.00 0.00 H new ATOM 0 HA ARG B 22 -21.038 21.804 4.706 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -22.679 19.706 3.176 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -21.651 20.921 2.444 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -19.773 19.612 2.745 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -20.101 19.446 4.458 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -21.781 17.637 3.916 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -21.329 17.764 2.228 1.00 0.00 H new ATOM 0 HE ARG B 22 -18.919 17.322 3.647 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -21.958 15.584 3.276 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -21.173 14.003 3.359 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -17.989 15.268 3.751 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -19.014 13.835 3.616 1.00 0.00 H new ATOM 652 N GLY B 23 -22.762 23.365 4.136 1.00 0.00 N ATOM 653 CA GLY B 23 -23.709 24.435 3.826 1.00 0.00 C ATOM 654 C GLY B 23 -23.154 25.395 2.775 1.00 0.00 C ATOM 655 O GLY B 23 -23.161 26.619 2.828 1.00 0.00 O ATOM 0 H GLY B 23 -21.792 23.663 4.038 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -24.642 24.002 3.466 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -23.944 24.988 4.736 1.00 0.00 H new ATOM 659 N PHE B 24 -22.816 24.634 1.765 1.00 0.00 N ATOM 660 CA PHE B 24 -23.241 24.732 0.414 1.00 0.00 C ATOM 661 C PHE B 24 -22.454 25.618 -0.517 1.00 0.00 C ATOM 662 O PHE B 24 -22.212 26.793 -0.276 1.00 0.00 O ATOM 663 CB PHE B 24 -24.775 24.736 0.334 1.00 0.00 C ATOM 664 CG PHE B 24 -25.499 23.434 0.633 1.00 0.00 C ATOM 665 CD1 PHE B 24 -24.671 22.426 1.125 1.00 0.00 C ATOM 666 CD2 PHE B 24 -26.120 23.036 -0.518 1.00 0.00 C ATOM 667 CE1 PHE B 24 -23.825 21.807 0.227 1.00 0.00 C ATOM 668 CE2 PHE B 24 -25.230 22.681 -1.510 1.00 0.00 C ATOM 669 CZ PHE B 24 -24.061 22.000 -1.158 1.00 0.00 C ATOM 0 H PHE B 24 -22.170 23.855 1.895 1.00 0.00 H new ATOM 0 HA PHE B 24 -22.929 23.813 -0.082 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -25.145 25.493 1.026 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -25.058 25.055 -0.669 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -24.691 22.141 2.167 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -27.193 23.003 -0.638 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -23.006 21.192 0.570 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -25.433 22.925 -2.542 1.00 0.00 H new ATOM 0 HZ PHE B 24 -23.370 21.638 -1.905 1.00 0.00 H new ATOM 679 N PHE B 25 -22.061 25.002 -1.633 1.00 0.00 N ATOM 680 CA PHE B 25 -21.406 25.464 -2.739 1.00 0.00 C ATOM 681 C PHE B 25 -21.658 26.908 -3.130 1.00 0.00 C ATOM 682 O PHE B 25 -20.812 27.789 -3.288 1.00 0.00 O ATOM 683 CB PHE B 25 -21.917 24.404 -3.760 1.00 0.00 C ATOM 684 CG PHE B 25 -20.992 24.290 -4.837 1.00 0.00 C ATOM 685 CD1 PHE B 25 -19.785 23.922 -4.259 1.00 0.00 C ATOM 686 CD2 PHE B 25 -21.165 25.312 -5.765 1.00 0.00 C ATOM 687 CE1 PHE B 25 -18.791 24.882 -4.363 1.00 0.00 C ATOM 688 CE2 PHE B 25 -20.049 26.073 -6.067 1.00 0.00 C ATOM 689 CZ PHE B 25 -18.853 25.892 -5.337 1.00 0.00 C ATOM 0 H PHE B 25 -22.255 24.006 -1.740 1.00 0.00 H new ATOM 0 HA PHE B 25 -20.325 25.538 -2.624 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -22.037 23.439 -3.268 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -22.897 24.693 -4.139 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -19.634 22.971 -3.771 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -22.123 25.502 -6.227 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -17.953 24.853 -3.682 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -20.092 26.805 -6.860 1.00 0.00 H new ATOM 0 HZ PHE B 25 -17.997 26.523 -5.526 1.00 0.00 H new ATOM 699 N TYR B 26 -22.944 26.934 -3.336 1.00 0.00 N ATOM 700 CA TYR B 26 -23.549 27.653 -4.442 1.00 0.00 C ATOM 701 C TYR B 26 -23.321 29.156 -4.610 1.00 0.00 C ATOM 702 O TYR B 26 -22.767 29.903 -3.801 1.00 0.00 O ATOM 703 CB TYR B 26 -25.002 27.319 -4.508 1.00 0.00 C ATOM 704 CG TYR B 26 -25.754 27.205 -5.812 1.00 0.00 C ATOM 705 CD1 TYR B 26 -25.077 26.421 -6.742 1.00 0.00 C ATOM 706 CD2 TYR B 26 -27.063 26.784 -5.557 1.00 0.00 C ATOM 707 CE1 TYR B 26 -24.972 25.130 -6.267 1.00 0.00 C ATOM 708 CE2 TYR B 26 -27.302 25.391 -5.584 1.00 0.00 C ATOM 709 CZ TYR B 26 -26.182 24.551 -5.774 1.00 0.00 C ATOM 710 OH TYR B 26 -26.191 23.263 -5.310 1.00 0.00 O ATOM 0 H TYR B 26 -23.617 26.454 -2.739 1.00 0.00 H new ATOM 0 HA TYR B 26 -22.978 27.284 -5.294 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -25.126 26.366 -3.994 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -25.521 28.071 -3.914 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -24.693 26.770 -7.689 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -27.854 27.490 -5.349 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -24.036 24.592 -6.268 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -28.296 24.987 -5.465 1.00 0.00 H new ATOM 0 HH TYR B 26 -27.013 22.816 -5.601 1.00 0.00 H new ATOM 720 N THR B 27 -23.810 29.500 -5.774 1.00 0.00 N ATOM 721 CA THR B 27 -23.157 30.385 -6.693 1.00 0.00 C ATOM 722 C THR B 27 -23.916 31.709 -6.910 1.00 0.00 C ATOM 723 O THR B 27 -25.149 31.671 -7.028 1.00 0.00 O ATOM 724 CB THR B 27 -23.070 29.529 -7.932 1.00 0.00 C ATOM 725 OG1 THR B 27 -24.294 28.948 -8.308 1.00 0.00 O ATOM 726 CG2 THR B 27 -22.038 28.391 -7.786 1.00 0.00 C ATOM 0 H THR B 27 -24.707 29.156 -6.116 1.00 0.00 H new ATOM 0 HA THR B 27 -22.188 30.740 -6.344 1.00 0.00 H new ATOM 0 HB THR B 27 -22.759 30.228 -8.709 1.00 0.00 H new ATOM 0 HG1 THR B 27 -25.028 29.555 -8.079 1.00 0.00 H new ATOM 0 HG21 THR B 27 -22.012 27.803 -8.704 1.00 0.00 H new ATOM 0 HG22 THR B 27 -21.052 28.816 -7.600 1.00 0.00 H new ATOM 0 HG23 THR B 27 -22.320 27.749 -6.952 1.00 0.00 H new ATOM 734 N PRO B 28 -23.204 32.859 -6.972 1.00 0.00 N ATOM 735 CA PRO B 28 -23.851 34.163 -7.017 1.00 0.00 C ATOM 736 C PRO B 28 -24.434 34.459 -8.410 1.00 0.00 C ATOM 737 O PRO B 28 -25.369 35.266 -8.525 1.00 0.00 O ATOM 738 CB PRO B 28 -22.766 35.155 -6.625 1.00 0.00 C ATOM 739 CG PRO B 28 -21.482 34.494 -7.126 1.00 0.00 C ATOM 740 CD PRO B 28 -21.756 33.003 -6.877 1.00 0.00 C ATOM 0 HA PRO B 28 -24.704 34.219 -6.341 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -22.925 36.128 -7.090 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -22.740 35.317 -5.547 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -21.303 34.703 -8.181 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -20.606 34.842 -6.579 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -21.249 32.381 -7.615 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -21.393 32.694 -5.897 1.00 0.00 H new ATOM 748 N LYS B 29 -23.906 33.857 -9.488 1.00 0.00 N ATOM 749 CA LYS B 29 -24.283 34.048 -10.923 1.00 0.00 C ATOM 750 C LYS B 29 -24.283 35.524 -11.358 1.00 0.00 C ATOM 751 O LYS B 29 -25.148 35.978 -12.133 1.00 0.00 O ATOM 752 CB LYS B 29 -25.593 33.277 -11.254 1.00 0.00 C ATOM 753 CG LYS B 29 -25.512 31.769 -10.937 1.00 0.00 C ATOM 754 CD LYS B 29 -26.816 31.011 -11.240 1.00 0.00 C ATOM 755 CE LYS B 29 -27.216 31.102 -12.713 1.00 0.00 C ATOM 756 NZ LYS B 29 -28.475 30.360 -12.989 1.00 0.00 N ATOM 0 H LYS B 29 -23.153 33.176 -9.388 1.00 0.00 H new ATOM 0 HA LYS B 29 -23.501 33.603 -11.538 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -26.416 33.716 -10.690 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -25.825 33.407 -12.311 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -24.700 31.327 -11.515 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -25.261 31.639 -9.884 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -26.697 29.964 -10.963 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -27.619 31.414 -10.623 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -27.342 32.148 -12.992 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -26.414 30.701 -13.333 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -28.714 30.445 -13.998 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -28.347 29.357 -12.747 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -29.246 30.759 -12.416 1.00 0.00 H new ATOM 770 N ALA B 30 -23.322 36.283 -10.804 1.00 0.00 N ATOM 771 CA ALA B 30 -23.177 37.746 -10.921 1.00 0.00 C ATOM 772 C ALA B 30 -21.693 38.197 -10.864 1.00 0.00 C ATOM 773 O ALA B 30 -20.915 37.577 -10.098 1.00 0.00 O ATOM 774 CB ALA B 30 -23.983 38.410 -9.788 1.00 0.00 C ATOM 775 OXT ALA B 30 -21.283 39.150 -11.591 1.00 0.00 O ATOM 0 H ALA B 30 -22.585 35.871 -10.231 1.00 0.00 H new ATOM 0 HA ALA B 30 -23.559 38.055 -11.894 1.00 0.00 H new ATOM 0 HB1 ALA B 30 -23.887 39.493 -9.860 1.00 0.00 H new ATOM 0 HB2 ALA B 30 -25.033 38.132 -9.878 1.00 0.00 H new ATOM 0 HB3 ALA B 30 -23.600 38.075 -8.824 1.00 0.00 H new TER 781 ALA B 30