USER MOD reduce.3.24.130724 H: found=0, std=0, add=815, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 817 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 118 GLN : amide:sc= 0.022 K(o=0.13,f=0.85) USER MOD Set 1.2: A 120 THR OG1 : rot 2:sc= 0.109 USER MOD Set 2.1: A 33 TYR OH : rot 180:sc= 0.862 USER MOD Set 2.2: A 112 TYR OH : rot 179:sc= -0.0998 USER MOD Set 3.1: A 72 SER OG : rot -170:sc= 0 USER MOD Set 3.2: A 83 GLN : amide:sc= 0 K(o=0,f=0.57) USER MOD Set 4.1: A 31 SER OG : rot -80:sc= 0.424 USER MOD Set 4.2: A 78 ASN : amide:sc= -2.58! K(o=-2.2!,f=-2.8) USER MOD Set 5.1: A 55 SER OG : rot 69:sc= 0.572! USER MOD Set 5.2: A 75 ASN : amide:sc= -0.941 K(o=-0.37,f=-3.9!) USER MOD Set 6.1: A 23 CYS SG : rot -171:sc= -0.0406 USER MOD Set 6.2: A 97 CYS SG : rot 85:sc= -0.759! USER MOD Single : A 4 GLN : amide:sc= -0.071 X(o=-0.071,f=-0.54) USER MOD Single : A 8 SER OG : rot 180:sc=-0.00417 USER MOD Single : A 14 GLN : amide:sc= -0.188 X(o=-0.19,f=-0.18) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 113:sc= 0.479 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 MET CE :methyl 170:sc= -2.9 (180deg=-3.36) USER MOD Single : A 40 GLN : amide:sc= -1.27! K(o=-1.3!,f=-0.32) USER MOD Single : A 44 LYS NZ :NH3+ -126:sc= 1.1 (180deg=-0.212) USER MOD Single : A 53 ASN : amide:sc= -0.616 K(o=-0.62,f=-3!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= -0.0055 USER MOD Single : A 61 TYR OH : rot 180:sc= 0.579 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0429) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 52:sc= 0.0824 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 MET CE :methyl 171:sc= -0.231 (180deg=-0.51) USER MOD Single : A 85 ASN : amide:sc= 0.48 K(o=0.48,f=-0.18) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 93:sc= 0.79 USER MOD Single : A 95 TYR OH : rot 120:sc= -0.291 USER MOD Single : A 96 ASN : amide:sc= -1.02 K(o=-1,f=-9!) USER MOD Single : A 115 GLN : amide:sc= -1.81 K(o=-1.8,f=-0.33) USER MOD Single : A 117 THR OG1 : rot -90:sc= -0.0355 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 37 N LEU A 3 2.026 -2.910 -7.477 1.00 0.00 N ATOM 38 CA LEU A 3 3.010 -3.423 -8.432 1.00 0.00 C ATOM 39 C LEU A 3 2.896 -2.617 -9.726 1.00 0.00 C ATOM 40 O LEU A 3 1.868 -2.680 -10.415 1.00 0.00 O ATOM 41 CB LEU A 3 2.757 -4.926 -8.691 1.00 0.00 C ATOM 42 CG LEU A 3 3.726 -5.648 -9.663 1.00 0.00 C ATOM 43 CD1 LEU A 3 5.176 -5.593 -9.151 1.00 0.00 C ATOM 44 CD2 LEU A 3 3.269 -7.102 -9.907 1.00 0.00 C ATOM 0 HA LEU A 3 4.018 -3.318 -8.031 1.00 0.00 H new ATOM 0 HB2 LEU A 3 2.790 -5.445 -7.733 1.00 0.00 H new ATOM 0 HB3 LEU A 3 1.744 -5.037 -9.079 1.00 0.00 H new ATOM 0 HG LEU A 3 3.700 -5.123 -10.618 1.00 0.00 H new ATOM 0 HD11 LEU A 3 5.830 -6.108 -9.855 1.00 0.00 H new ATOM 0 HD12 LEU A 3 5.490 -4.553 -9.058 1.00 0.00 H new ATOM 0 HD13 LEU A 3 5.237 -6.079 -8.177 1.00 0.00 H new ATOM 0 HD21 LEU A 3 3.962 -7.591 -10.592 1.00 0.00 H new ATOM 0 HD22 LEU A 3 3.252 -7.642 -8.960 1.00 0.00 H new ATOM 0 HD23 LEU A 3 2.269 -7.101 -10.342 1.00 0.00 H new ATOM 56 N GLN A 4 3.939 -1.835 -10.029 1.00 0.00 N ATOM 57 CA GLN A 4 3.980 -0.996 -11.221 1.00 0.00 C ATOM 58 C GLN A 4 4.415 -1.839 -12.431 1.00 0.00 C ATOM 59 O GLN A 4 5.594 -2.189 -12.561 1.00 0.00 O ATOM 60 CB GLN A 4 4.946 0.201 -11.003 1.00 0.00 C ATOM 61 CG GLN A 4 4.807 1.323 -12.053 1.00 0.00 C ATOM 62 CD GLN A 4 3.438 2.018 -12.021 1.00 0.00 C ATOM 63 OE1 GLN A 4 2.797 2.121 -10.970 1.00 0.00 O ATOM 64 NE2 GLN A 4 2.985 2.514 -13.159 1.00 0.00 N ATOM 0 H GLN A 4 4.777 -1.770 -9.451 1.00 0.00 H new ATOM 0 HA GLN A 4 2.985 -0.595 -11.415 1.00 0.00 H new ATOM 0 HB2 GLN A 4 4.769 0.621 -10.013 1.00 0.00 H new ATOM 0 HB3 GLN A 4 5.972 -0.167 -11.014 1.00 0.00 H new ATOM 0 HG2 GLN A 4 5.588 2.065 -11.887 1.00 0.00 H new ATOM 0 HG3 GLN A 4 4.971 0.904 -13.046 1.00 0.00 H new ATOM 0 HE21 GLN A 4 3.534 2.415 -14.013 1.00 0.00 H new ATOM 0 HE22 GLN A 4 2.086 2.996 -13.184 1.00 0.00 H new ATOM 73 N LEU A 5 3.435 -2.181 -13.275 1.00 0.00 N ATOM 74 CA LEU A 5 3.643 -2.939 -14.518 1.00 0.00 C ATOM 75 C LEU A 5 3.698 -1.962 -15.703 1.00 0.00 C ATOM 76 O LEU A 5 2.822 -1.093 -15.844 1.00 0.00 O ATOM 77 CB LEU A 5 2.497 -3.970 -14.698 1.00 0.00 C ATOM 78 CG LEU A 5 2.387 -5.060 -13.584 1.00 0.00 C ATOM 79 CD1 LEU A 5 1.052 -5.825 -13.664 1.00 0.00 C ATOM 80 CD2 LEU A 5 3.580 -6.034 -13.648 1.00 0.00 C ATOM 0 H LEU A 5 2.458 -1.936 -13.112 1.00 0.00 H new ATOM 0 HA LEU A 5 4.586 -3.483 -14.471 1.00 0.00 H new ATOM 0 HB2 LEU A 5 1.551 -3.430 -14.747 1.00 0.00 H new ATOM 0 HB3 LEU A 5 2.629 -4.469 -15.658 1.00 0.00 H new ATOM 0 HG LEU A 5 2.413 -4.547 -12.623 1.00 0.00 H new ATOM 0 HD11 LEU A 5 1.014 -6.574 -12.873 1.00 0.00 H new ATOM 0 HD12 LEU A 5 0.224 -5.126 -13.542 1.00 0.00 H new ATOM 0 HD13 LEU A 5 0.972 -6.317 -14.633 1.00 0.00 H new ATOM 0 HD21 LEU A 5 3.481 -6.783 -12.863 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.595 -6.527 -14.620 1.00 0.00 H new ATOM 0 HD23 LEU A 5 4.509 -5.481 -13.507 1.00 0.00 H new ATOM 92 N VAL A 6 4.752 -2.082 -16.525 1.00 0.00 N ATOM 93 CA VAL A 6 4.959 -1.245 -17.716 1.00 0.00 C ATOM 94 C VAL A 6 5.008 -2.145 -18.953 1.00 0.00 C ATOM 95 O VAL A 6 6.029 -2.790 -19.215 1.00 0.00 O ATOM 96 CB VAL A 6 6.291 -0.407 -17.609 1.00 0.00 C ATOM 97 CG1 VAL A 6 6.515 0.480 -18.866 1.00 0.00 C ATOM 98 CG2 VAL A 6 6.303 0.442 -16.317 1.00 0.00 C ATOM 0 H VAL A 6 5.491 -2.770 -16.380 1.00 0.00 H new ATOM 0 HA VAL A 6 4.131 -0.540 -17.794 1.00 0.00 H new ATOM 0 HB VAL A 6 7.121 -1.112 -17.560 1.00 0.00 H new ATOM 0 HG11 VAL A 6 7.442 1.042 -18.754 1.00 0.00 H new ATOM 0 HG12 VAL A 6 6.578 -0.153 -19.751 1.00 0.00 H new ATOM 0 HG13 VAL A 6 5.681 1.174 -18.975 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.231 1.011 -16.264 1.00 0.00 H new ATOM 0 HG22 VAL A 6 5.456 1.128 -16.325 1.00 0.00 H new ATOM 0 HG23 VAL A 6 6.230 -0.214 -15.450 1.00 0.00 H new ATOM 108 N GLU A 7 3.901 -2.184 -19.704 1.00 0.00 N ATOM 109 CA GLU A 7 3.776 -3.010 -20.914 1.00 0.00 C ATOM 110 C GLU A 7 4.209 -2.216 -22.151 1.00 0.00 C ATOM 111 O GLU A 7 4.061 -0.991 -22.190 1.00 0.00 O ATOM 112 CB GLU A 7 2.327 -3.543 -21.089 1.00 0.00 C ATOM 113 CG GLU A 7 1.770 -4.361 -19.894 1.00 0.00 C ATOM 114 CD GLU A 7 0.990 -3.527 -18.853 1.00 0.00 C ATOM 115 OE1 GLU A 7 -0.227 -3.750 -18.685 1.00 0.00 O ATOM 116 OE2 GLU A 7 1.569 -2.624 -18.224 1.00 0.00 O ATOM 0 H GLU A 7 3.063 -1.643 -19.490 1.00 0.00 H new ATOM 0 HA GLU A 7 4.436 -3.870 -20.801 1.00 0.00 H new ATOM 0 HB2 GLU A 7 1.665 -2.695 -21.267 1.00 0.00 H new ATOM 0 HB3 GLU A 7 2.293 -4.167 -21.982 1.00 0.00 H new ATOM 0 HG2 GLU A 7 1.115 -5.142 -20.279 1.00 0.00 H new ATOM 0 HG3 GLU A 7 2.600 -4.859 -19.393 1.00 0.00 H new ATOM 123 N SER A 8 4.744 -2.929 -23.155 1.00 0.00 N ATOM 124 CA SER A 8 5.275 -2.339 -24.396 1.00 0.00 C ATOM 125 C SER A 8 5.209 -3.371 -25.538 1.00 0.00 C ATOM 126 O SER A 8 4.940 -4.560 -25.303 1.00 0.00 O ATOM 127 CB SER A 8 6.736 -1.859 -24.183 1.00 0.00 C ATOM 128 OG SER A 8 6.835 -0.927 -23.117 1.00 0.00 O ATOM 0 H SER A 8 4.821 -3.946 -23.128 1.00 0.00 H new ATOM 0 HA SER A 8 4.666 -1.477 -24.666 1.00 0.00 H new ATOM 0 HB2 SER A 8 7.374 -2.718 -23.975 1.00 0.00 H new ATOM 0 HB3 SER A 8 7.106 -1.402 -25.101 1.00 0.00 H new ATOM 0 HG SER A 8 7.769 -0.649 -23.011 1.00 0.00 H new ATOM 134 N GLY A 9 5.468 -2.903 -26.775 1.00 0.00 N ATOM 135 CA GLY A 9 5.418 -3.753 -27.976 1.00 0.00 C ATOM 136 C GLY A 9 4.169 -3.522 -28.821 1.00 0.00 C ATOM 137 O GLY A 9 4.000 -4.165 -29.866 1.00 0.00 O ATOM 0 H GLY A 9 5.716 -1.932 -26.967 1.00 0.00 H new ATOM 0 HA2 GLY A 9 6.302 -3.563 -28.585 1.00 0.00 H new ATOM 0 HA3 GLY A 9 5.457 -4.800 -27.675 1.00 0.00 H new ATOM 141 N GLY A 10 3.297 -2.607 -28.360 1.00 0.00 N ATOM 142 CA GLY A 10 2.018 -2.328 -29.013 1.00 0.00 C ATOM 143 C GLY A 10 2.183 -1.561 -30.322 1.00 0.00 C ATOM 144 O GLY A 10 2.177 -0.325 -30.331 1.00 0.00 O ATOM 0 H GLY A 10 3.464 -2.045 -27.526 1.00 0.00 H new ATOM 0 HA2 GLY A 10 1.502 -3.268 -29.209 1.00 0.00 H new ATOM 0 HA3 GLY A 10 1.386 -1.753 -28.336 1.00 0.00 H new ATOM 148 N GLY A 11 2.353 -2.308 -31.428 1.00 0.00 N ATOM 149 CA GLY A 11 2.509 -1.733 -32.770 1.00 0.00 C ATOM 150 C GLY A 11 1.552 -2.351 -33.777 1.00 0.00 C ATOM 151 O GLY A 11 0.671 -3.144 -33.405 1.00 0.00 O ATOM 0 H GLY A 11 2.386 -3.327 -31.413 1.00 0.00 H new ATOM 0 HA2 GLY A 11 2.340 -0.657 -32.724 1.00 0.00 H new ATOM 0 HA3 GLY A 11 3.534 -1.880 -33.109 1.00 0.00 H new ATOM 155 N LEU A 12 1.730 -1.990 -35.066 1.00 0.00 N ATOM 156 CA LEU A 12 0.902 -2.502 -36.174 1.00 0.00 C ATOM 157 C LEU A 12 1.489 -3.817 -36.731 1.00 0.00 C ATOM 158 O LEU A 12 2.711 -3.959 -36.857 1.00 0.00 O ATOM 159 CB LEU A 12 0.705 -1.402 -37.277 1.00 0.00 C ATOM 160 CG LEU A 12 1.983 -0.805 -37.985 1.00 0.00 C ATOM 161 CD1 LEU A 12 2.492 -1.695 -39.142 1.00 0.00 C ATOM 162 CD2 LEU A 12 1.737 0.641 -38.486 1.00 0.00 C ATOM 0 H LEU A 12 2.452 -1.335 -35.365 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.091 -2.741 -35.794 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.063 -1.821 -38.052 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.160 -0.574 -36.825 1.00 0.00 H new ATOM 0 HG LEU A 12 2.763 -0.779 -37.224 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.372 -1.237 -39.593 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.753 -2.680 -38.755 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.710 -1.796 -39.894 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.639 1.018 -38.968 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.916 0.643 -39.202 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.483 1.281 -37.641 1.00 0.00 H new ATOM 174 N VAL A 13 0.600 -4.773 -37.031 1.00 0.00 N ATOM 175 CA VAL A 13 0.948 -6.109 -37.566 1.00 0.00 C ATOM 176 C VAL A 13 -0.244 -6.622 -38.410 1.00 0.00 C ATOM 177 O VAL A 13 -1.371 -6.195 -38.199 1.00 0.00 O ATOM 178 CB VAL A 13 1.312 -7.103 -36.389 1.00 0.00 C ATOM 179 CG1 VAL A 13 0.170 -7.191 -35.345 1.00 0.00 C ATOM 180 CG2 VAL A 13 1.719 -8.509 -36.910 1.00 0.00 C ATOM 0 H VAL A 13 -0.404 -4.643 -36.908 1.00 0.00 H new ATOM 0 HA VAL A 13 1.830 -6.044 -38.203 1.00 0.00 H new ATOM 0 HB VAL A 13 2.186 -6.689 -35.886 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.455 -7.882 -34.552 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -0.010 -6.204 -34.919 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -0.739 -7.549 -35.829 1.00 0.00 H new ATOM 0 HG21 VAL A 13 1.959 -9.155 -36.065 1.00 0.00 H new ATOM 0 HG22 VAL A 13 0.892 -8.942 -37.474 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.591 -8.419 -37.557 1.00 0.00 H new ATOM 190 N GLN A 14 0.004 -7.491 -39.402 1.00 0.00 N ATOM 191 CA GLN A 14 -1.068 -8.055 -40.262 1.00 0.00 C ATOM 192 C GLN A 14 -1.577 -9.394 -39.692 1.00 0.00 C ATOM 193 O GLN A 14 -0.889 -10.046 -38.889 1.00 0.00 O ATOM 194 CB GLN A 14 -0.593 -8.217 -41.739 1.00 0.00 C ATOM 195 CG GLN A 14 -0.485 -6.906 -42.557 1.00 0.00 C ATOM 196 CD GLN A 14 0.543 -5.901 -42.031 1.00 0.00 C ATOM 197 OE1 GLN A 14 1.720 -5.961 -42.382 1.00 0.00 O ATOM 198 NE2 GLN A 14 0.114 -4.977 -41.172 1.00 0.00 N ATOM 0 H GLN A 14 0.939 -7.824 -39.635 1.00 0.00 H new ATOM 0 HA GLN A 14 -1.898 -7.348 -40.264 1.00 0.00 H new ATOM 0 HB2 GLN A 14 0.382 -8.703 -41.736 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -1.282 -8.888 -42.252 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -0.232 -7.157 -43.587 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -1.463 -6.426 -42.577 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -0.868 -4.951 -40.899 1.00 0.00 H new ATOM 0 HE22 GLN A 14 0.768 -4.295 -40.788 1.00 0.00 H new ATOM 207 N ALA A 15 -2.795 -9.788 -40.120 1.00 0.00 N ATOM 208 CA ALA A 15 -3.481 -10.998 -39.644 1.00 0.00 C ATOM 209 C ALA A 15 -2.746 -12.264 -40.105 1.00 0.00 C ATOM 210 O ALA A 15 -2.525 -12.446 -41.303 1.00 0.00 O ATOM 211 CB ALA A 15 -4.934 -10.998 -40.135 1.00 0.00 C ATOM 0 H ALA A 15 -3.332 -9.266 -40.813 1.00 0.00 H new ATOM 0 HA ALA A 15 -3.479 -10.996 -38.554 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.438 -11.897 -39.780 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.448 -10.117 -39.750 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.950 -10.980 -41.225 1.00 0.00 H new ATOM 217 N GLY A 16 -2.367 -13.119 -39.139 1.00 0.00 N ATOM 218 CA GLY A 16 -1.555 -14.312 -39.391 1.00 0.00 C ATOM 219 C GLY A 16 -0.099 -14.116 -38.972 1.00 0.00 C ATOM 220 O GLY A 16 0.677 -15.083 -38.931 1.00 0.00 O ATOM 0 H GLY A 16 -2.619 -12.997 -38.158 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -1.977 -15.158 -38.849 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -1.596 -14.560 -40.451 1.00 0.00 H new ATOM 224 N GLY A 17 0.252 -12.857 -38.638 1.00 0.00 N ATOM 225 CA GLY A 17 1.611 -12.488 -38.250 1.00 0.00 C ATOM 226 C GLY A 17 1.892 -12.707 -36.770 1.00 0.00 C ATOM 227 O GLY A 17 1.011 -13.138 -36.007 1.00 0.00 O ATOM 0 H GLY A 17 -0.404 -12.076 -38.633 1.00 0.00 H new ATOM 0 HA2 GLY A 17 2.321 -13.070 -38.838 1.00 0.00 H new ATOM 0 HA3 GLY A 17 1.780 -11.439 -38.494 1.00 0.00 H new ATOM 231 N SER A 18 3.132 -12.400 -36.366 1.00 0.00 N ATOM 232 CA SER A 18 3.605 -12.536 -34.981 1.00 0.00 C ATOM 233 C SER A 18 3.938 -11.155 -34.390 1.00 0.00 C ATOM 234 O SER A 18 4.117 -10.181 -35.138 1.00 0.00 O ATOM 235 CB SER A 18 4.846 -13.456 -34.957 1.00 0.00 C ATOM 236 OG SER A 18 5.885 -12.954 -35.770 1.00 0.00 O ATOM 0 H SER A 18 3.846 -12.045 -37.002 1.00 0.00 H new ATOM 0 HA SER A 18 2.819 -12.980 -34.370 1.00 0.00 H new ATOM 0 HB2 SER A 18 5.203 -13.558 -33.932 1.00 0.00 H new ATOM 0 HB3 SER A 18 4.566 -14.453 -35.298 1.00 0.00 H new ATOM 0 HG SER A 18 6.654 -13.560 -35.729 1.00 0.00 H new ATOM 242 N LEU A 19 4.022 -11.089 -33.047 1.00 0.00 N ATOM 243 CA LEU A 19 4.338 -9.848 -32.313 1.00 0.00 C ATOM 244 C LEU A 19 4.829 -10.188 -30.895 1.00 0.00 C ATOM 245 O LEU A 19 4.149 -10.901 -30.160 1.00 0.00 O ATOM 246 CB LEU A 19 3.093 -8.912 -32.265 1.00 0.00 C ATOM 247 CG LEU A 19 3.256 -7.552 -31.510 1.00 0.00 C ATOM 248 CD1 LEU A 19 4.437 -6.726 -32.056 1.00 0.00 C ATOM 249 CD2 LEU A 19 1.941 -6.740 -31.546 1.00 0.00 C ATOM 0 H LEU A 19 3.873 -11.895 -32.440 1.00 0.00 H new ATOM 0 HA LEU A 19 5.135 -9.319 -32.836 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.792 -8.696 -33.290 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.274 -9.461 -31.801 1.00 0.00 H new ATOM 0 HG LEU A 19 3.484 -7.784 -30.470 1.00 0.00 H new ATOM 0 HD11 LEU A 19 4.513 -5.790 -31.503 1.00 0.00 H new ATOM 0 HD12 LEU A 19 5.361 -7.292 -31.940 1.00 0.00 H new ATOM 0 HD13 LEU A 19 4.273 -6.511 -33.112 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.080 -5.799 -31.014 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.668 -6.535 -32.581 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.146 -7.313 -31.068 1.00 0.00 H new ATOM 261 N ARG A 20 6.020 -9.684 -30.522 1.00 0.00 N ATOM 262 CA ARG A 20 6.573 -9.857 -29.163 1.00 0.00 C ATOM 263 C ARG A 20 6.230 -8.635 -28.300 1.00 0.00 C ATOM 264 O ARG A 20 6.513 -7.490 -28.672 1.00 0.00 O ATOM 265 CB ARG A 20 8.108 -10.077 -29.179 1.00 0.00 C ATOM 266 CG ARG A 20 8.720 -10.344 -27.775 1.00 0.00 C ATOM 267 CD ARG A 20 10.258 -10.394 -27.796 1.00 0.00 C ATOM 268 NE ARG A 20 10.854 -9.108 -28.234 1.00 0.00 N ATOM 269 CZ ARG A 20 11.775 -8.961 -29.207 1.00 0.00 C ATOM 270 NH1 ARG A 20 12.195 -10.006 -29.907 1.00 0.00 N ATOM 271 NH2 ARG A 20 12.259 -7.758 -29.482 1.00 0.00 N ATOM 0 H ARG A 20 6.623 -9.149 -31.147 1.00 0.00 H new ATOM 0 HA ARG A 20 6.119 -10.751 -28.737 1.00 0.00 H new ATOM 0 HB2 ARG A 20 8.338 -10.920 -29.831 1.00 0.00 H new ATOM 0 HB3 ARG A 20 8.587 -9.199 -29.612 1.00 0.00 H new ATOM 0 HG2 ARG A 20 8.396 -9.563 -27.087 1.00 0.00 H new ATOM 0 HG3 ARG A 20 8.335 -11.288 -27.389 1.00 0.00 H new ATOM 0 HD2 ARG A 20 10.625 -10.642 -26.800 1.00 0.00 H new ATOM 0 HD3 ARG A 20 10.585 -11.191 -28.464 1.00 0.00 H new ATOM 0 HE ARG A 20 10.540 -8.262 -27.758 1.00 0.00 H new ATOM 0 HH11 ARG A 20 11.821 -10.934 -29.712 1.00 0.00 H new ATOM 0 HH12 ARG A 20 12.892 -9.881 -30.641 1.00 0.00 H new ATOM 0 HH21 ARG A 20 11.934 -6.946 -28.958 1.00 0.00 H new ATOM 0 HH22 ARG A 20 12.956 -7.645 -30.218 1.00 0.00 H new ATOM 285 N LEU A 21 5.600 -8.907 -27.153 1.00 0.00 N ATOM 286 CA LEU A 21 5.240 -7.913 -26.131 1.00 0.00 C ATOM 287 C LEU A 21 6.187 -8.073 -24.937 1.00 0.00 C ATOM 288 O LEU A 21 6.830 -9.118 -24.785 1.00 0.00 O ATOM 289 CB LEU A 21 3.754 -8.085 -25.670 1.00 0.00 C ATOM 290 CG LEU A 21 2.640 -7.754 -26.717 1.00 0.00 C ATOM 291 CD1 LEU A 21 2.744 -6.309 -27.209 1.00 0.00 C ATOM 292 CD2 LEU A 21 2.644 -8.740 -27.898 1.00 0.00 C ATOM 0 H LEU A 21 5.317 -9.854 -26.900 1.00 0.00 H new ATOM 0 HA LEU A 21 5.337 -6.914 -26.556 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.618 -9.117 -25.346 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.596 -7.453 -24.796 1.00 0.00 H new ATOM 0 HG LEU A 21 1.685 -7.866 -26.205 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.955 -6.114 -27.935 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.636 -5.628 -26.364 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.715 -6.154 -27.679 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.854 -8.471 -28.599 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.608 -8.698 -28.404 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.472 -9.751 -27.528 1.00 0.00 H new ATOM 304 N SER A 22 6.305 -7.026 -24.122 1.00 0.00 N ATOM 305 CA SER A 22 7.077 -7.073 -22.876 1.00 0.00 C ATOM 306 C SER A 22 6.338 -6.315 -21.768 1.00 0.00 C ATOM 307 O SER A 22 5.452 -5.505 -22.044 1.00 0.00 O ATOM 308 CB SER A 22 8.492 -6.489 -23.089 1.00 0.00 C ATOM 309 OG SER A 22 9.289 -6.633 -21.917 1.00 0.00 O ATOM 0 H SER A 22 5.870 -6.122 -24.304 1.00 0.00 H new ATOM 0 HA SER A 22 7.184 -8.114 -22.572 1.00 0.00 H new ATOM 0 HB2 SER A 22 8.975 -6.994 -23.925 1.00 0.00 H new ATOM 0 HB3 SER A 22 8.417 -5.434 -23.354 1.00 0.00 H new ATOM 0 HG SER A 22 10.019 -7.262 -22.093 1.00 0.00 H new ATOM 315 N CYS A 23 6.704 -6.615 -20.519 1.00 0.00 N ATOM 316 CA CYS A 23 6.195 -5.942 -19.325 1.00 0.00 C ATOM 317 C CYS A 23 7.274 -5.989 -18.240 1.00 0.00 C ATOM 318 O CYS A 23 7.867 -7.036 -18.027 1.00 0.00 O ATOM 319 CB CYS A 23 4.898 -6.606 -18.817 1.00 0.00 C ATOM 320 SG CYS A 23 4.191 -5.803 -17.358 1.00 0.00 S ATOM 0 H CYS A 23 7.378 -7.350 -20.307 1.00 0.00 H new ATOM 0 HA CYS A 23 5.957 -4.908 -19.573 1.00 0.00 H new ATOM 0 HB2 CYS A 23 4.159 -6.599 -19.618 1.00 0.00 H new ATOM 0 HB3 CYS A 23 5.103 -7.650 -18.582 1.00 0.00 H new ATOM 0 HG CYS A 23 3.216 -6.527 -16.894 1.00 0.00 H new ATOM 326 N ALA A 24 7.552 -4.861 -17.576 1.00 0.00 N ATOM 327 CA ALA A 24 8.523 -4.805 -16.466 1.00 0.00 C ATOM 328 C ALA A 24 7.790 -4.449 -15.172 1.00 0.00 C ATOM 329 O ALA A 24 6.992 -3.505 -15.153 1.00 0.00 O ATOM 330 CB ALA A 24 9.637 -3.795 -16.776 1.00 0.00 C ATOM 0 H ALA A 24 7.116 -3.964 -17.788 1.00 0.00 H new ATOM 0 HA ALA A 24 8.994 -5.780 -16.343 1.00 0.00 H new ATOM 0 HB1 ALA A 24 10.344 -3.767 -15.947 1.00 0.00 H new ATOM 0 HB2 ALA A 24 10.157 -4.095 -17.686 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.202 -2.805 -16.916 1.00 0.00 H new ATOM 336 N ALA A 25 8.054 -5.210 -14.099 1.00 0.00 N ATOM 337 CA ALA A 25 7.398 -5.021 -12.798 1.00 0.00 C ATOM 338 C ALA A 25 8.370 -4.394 -11.786 1.00 0.00 C ATOM 339 O ALA A 25 9.549 -4.764 -11.733 1.00 0.00 O ATOM 340 CB ALA A 25 6.874 -6.364 -12.287 1.00 0.00 C ATOM 0 H ALA A 25 8.729 -5.974 -14.110 1.00 0.00 H new ATOM 0 HA ALA A 25 6.558 -4.338 -12.920 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.388 -6.221 -11.322 1.00 0.00 H new ATOM 0 HB2 ALA A 25 6.155 -6.769 -12.999 1.00 0.00 H new ATOM 0 HB3 ALA A 25 7.705 -7.060 -12.175 1.00 0.00 H new ATOM 346 N SER A 26 7.861 -3.430 -11.005 1.00 0.00 N ATOM 347 CA SER A 26 8.619 -2.722 -9.957 1.00 0.00 C ATOM 348 C SER A 26 7.697 -2.410 -8.759 1.00 0.00 C ATOM 349 O SER A 26 6.472 -2.563 -8.849 1.00 0.00 O ATOM 350 CB SER A 26 9.230 -1.419 -10.537 1.00 0.00 C ATOM 351 OG SER A 26 10.073 -1.690 -11.651 1.00 0.00 O ATOM 0 H SER A 26 6.895 -3.113 -11.083 1.00 0.00 H new ATOM 0 HA SER A 26 9.432 -3.358 -9.608 1.00 0.00 H new ATOM 0 HB2 SER A 26 8.430 -0.744 -10.841 1.00 0.00 H new ATOM 0 HB3 SER A 26 9.802 -0.908 -9.763 1.00 0.00 H new ATOM 0 HG SER A 26 10.441 -0.849 -11.995 1.00 0.00 H new ATOM 357 N GLY A 27 8.294 -1.970 -7.638 1.00 0.00 N ATOM 358 CA GLY A 27 7.542 -1.622 -6.425 1.00 0.00 C ATOM 359 C GLY A 27 7.317 -2.834 -5.533 1.00 0.00 C ATOM 360 O GLY A 27 8.085 -3.078 -4.592 1.00 0.00 O ATOM 0 H GLY A 27 9.303 -1.847 -7.549 1.00 0.00 H new ATOM 0 HA2 GLY A 27 8.083 -0.857 -5.869 1.00 0.00 H new ATOM 0 HA3 GLY A 27 6.580 -1.193 -6.704 1.00 0.00 H new ATOM 364 N ARG A 28 6.266 -3.604 -5.844 1.00 0.00 N ATOM 365 CA ARG A 28 5.941 -4.858 -5.139 1.00 0.00 C ATOM 366 C ARG A 28 6.796 -6.015 -5.707 1.00 0.00 C ATOM 367 O ARG A 28 7.266 -5.940 -6.849 1.00 0.00 O ATOM 368 CB ARG A 28 4.423 -5.153 -5.301 1.00 0.00 C ATOM 369 CG ARG A 28 3.881 -6.364 -4.513 1.00 0.00 C ATOM 370 CD ARG A 28 3.998 -6.193 -2.989 1.00 0.00 C ATOM 371 NE ARG A 28 3.360 -7.307 -2.262 1.00 0.00 N ATOM 372 CZ ARG A 28 3.792 -7.838 -1.105 1.00 0.00 C ATOM 373 NH1 ARG A 28 4.919 -7.425 -0.533 1.00 0.00 N ATOM 374 NH2 ARG A 28 3.091 -8.804 -0.536 1.00 0.00 N ATOM 0 H ARG A 28 5.613 -3.377 -6.594 1.00 0.00 H new ATOM 0 HA ARG A 28 6.168 -4.760 -4.077 1.00 0.00 H new ATOM 0 HB2 ARG A 28 3.866 -4.267 -4.995 1.00 0.00 H new ATOM 0 HB3 ARG A 28 4.215 -5.311 -6.359 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.835 -6.522 -4.776 1.00 0.00 H new ATOM 0 HG3 ARG A 28 4.424 -7.259 -4.815 1.00 0.00 H new ATOM 0 HD2 ARG A 28 5.050 -6.132 -2.710 1.00 0.00 H new ATOM 0 HD3 ARG A 28 3.534 -5.252 -2.692 1.00 0.00 H new ATOM 0 HE ARG A 28 2.518 -7.709 -2.673 1.00 0.00 H new ATOM 0 HH11 ARG A 28 5.475 -6.691 -0.972 1.00 0.00 H new ATOM 0 HH12 ARG A 28 5.228 -7.842 0.345 1.00 0.00 H new ATOM 0 HH21 ARG A 28 2.233 -9.138 -0.975 1.00 0.00 H new ATOM 0 HH22 ARG A 28 3.408 -9.215 0.342 1.00 0.00 H new ATOM 388 N THR A 29 7.024 -7.058 -4.896 1.00 0.00 N ATOM 389 CA THR A 29 7.739 -8.261 -5.334 1.00 0.00 C ATOM 390 C THR A 29 6.801 -9.150 -6.182 1.00 0.00 C ATOM 391 O THR A 29 5.993 -9.909 -5.643 1.00 0.00 O ATOM 392 CB THR A 29 8.304 -9.053 -4.108 1.00 0.00 C ATOM 393 OG1 THR A 29 9.109 -8.170 -3.305 1.00 0.00 O ATOM 394 CG2 THR A 29 9.153 -10.271 -4.528 1.00 0.00 C ATOM 0 H THR A 29 6.719 -7.090 -3.923 1.00 0.00 H new ATOM 0 HA THR A 29 8.586 -7.960 -5.950 1.00 0.00 H new ATOM 0 HB THR A 29 7.452 -9.429 -3.541 1.00 0.00 H new ATOM 0 HG1 THR A 29 9.464 -8.661 -2.535 1.00 0.00 H new ATOM 0 HG21 THR A 29 9.519 -10.783 -3.638 1.00 0.00 H new ATOM 0 HG22 THR A 29 8.541 -10.956 -5.115 1.00 0.00 H new ATOM 0 HG23 THR A 29 9.999 -9.935 -5.128 1.00 0.00 H new ATOM 402 N PHE A 30 6.907 -9.002 -7.517 1.00 0.00 N ATOM 403 CA PHE A 30 6.147 -9.804 -8.505 1.00 0.00 C ATOM 404 C PHE A 30 6.529 -11.305 -8.426 1.00 0.00 C ATOM 405 O PHE A 30 5.759 -12.173 -8.839 1.00 0.00 O ATOM 406 CB PHE A 30 6.394 -9.242 -9.931 1.00 0.00 C ATOM 407 CG PHE A 30 5.883 -10.124 -11.070 1.00 0.00 C ATOM 408 CD1 PHE A 30 4.520 -10.277 -11.294 1.00 0.00 C ATOM 409 CD2 PHE A 30 6.770 -10.831 -11.892 1.00 0.00 C ATOM 410 CE1 PHE A 30 4.059 -11.092 -12.299 1.00 0.00 C ATOM 411 CE2 PHE A 30 6.305 -11.645 -12.903 1.00 0.00 C ATOM 412 CZ PHE A 30 4.948 -11.781 -13.104 1.00 0.00 C ATOM 0 H PHE A 30 7.528 -8.317 -7.947 1.00 0.00 H new ATOM 0 HA PHE A 30 5.085 -9.729 -8.272 1.00 0.00 H new ATOM 0 HB2 PHE A 30 5.918 -8.264 -10.007 1.00 0.00 H new ATOM 0 HB3 PHE A 30 7.465 -9.087 -10.064 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.814 -9.749 -10.670 1.00 0.00 H new ATOM 0 HD2 PHE A 30 7.834 -10.737 -11.731 1.00 0.00 H new ATOM 0 HE1 PHE A 30 2.996 -11.195 -12.462 1.00 0.00 H new ATOM 0 HE2 PHE A 30 7.002 -12.175 -13.536 1.00 0.00 H new ATOM 0 HZ PHE A 30 4.580 -12.425 -13.889 1.00 0.00 H new ATOM 422 N SER A 31 7.713 -11.594 -7.860 1.00 0.00 N ATOM 423 CA SER A 31 8.208 -12.968 -7.659 1.00 0.00 C ATOM 424 C SER A 31 7.332 -13.784 -6.670 1.00 0.00 C ATOM 425 O SER A 31 7.552 -14.985 -6.492 1.00 0.00 O ATOM 426 CB SER A 31 9.670 -12.913 -7.171 1.00 0.00 C ATOM 427 OG SER A 31 10.466 -12.130 -8.044 1.00 0.00 O ATOM 0 H SER A 31 8.358 -10.877 -7.527 1.00 0.00 H new ATOM 0 HA SER A 31 8.152 -13.486 -8.616 1.00 0.00 H new ATOM 0 HB2 SER A 31 9.706 -12.494 -6.165 1.00 0.00 H new ATOM 0 HB3 SER A 31 10.075 -13.923 -7.110 1.00 0.00 H new ATOM 0 HG SER A 31 10.708 -12.662 -8.831 1.00 0.00 H new ATOM 433 N SER A 32 6.355 -13.126 -6.018 1.00 0.00 N ATOM 434 CA SER A 32 5.398 -13.783 -5.104 1.00 0.00 C ATOM 435 C SER A 32 3.977 -13.831 -5.717 1.00 0.00 C ATOM 436 O SER A 32 3.029 -14.284 -5.064 1.00 0.00 O ATOM 437 CB SER A 32 5.390 -13.020 -3.756 1.00 0.00 C ATOM 438 OG SER A 32 6.705 -12.914 -3.230 1.00 0.00 O ATOM 0 H SER A 32 6.206 -12.121 -6.110 1.00 0.00 H new ATOM 0 HA SER A 32 5.711 -14.814 -4.940 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.969 -12.025 -3.899 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.749 -13.538 -3.043 1.00 0.00 H new ATOM 0 HG SER A 32 6.679 -12.428 -2.380 1.00 0.00 H new ATOM 444 N TYR A 33 3.841 -13.382 -6.983 1.00 0.00 N ATOM 445 CA TYR A 33 2.532 -13.199 -7.653 1.00 0.00 C ATOM 446 C TYR A 33 2.567 -13.745 -9.088 1.00 0.00 C ATOM 447 O TYR A 33 3.558 -13.592 -9.794 1.00 0.00 O ATOM 448 CB TYR A 33 2.138 -11.699 -7.683 1.00 0.00 C ATOM 449 CG TYR A 33 1.890 -11.098 -6.298 1.00 0.00 C ATOM 450 CD1 TYR A 33 2.855 -10.328 -5.653 1.00 0.00 C ATOM 451 CD2 TYR A 33 0.686 -11.322 -5.626 1.00 0.00 C ATOM 452 CE1 TYR A 33 2.632 -9.806 -4.399 1.00 0.00 C ATOM 453 CE2 TYR A 33 0.455 -10.799 -4.373 1.00 0.00 C ATOM 454 CZ TYR A 33 1.433 -10.041 -3.763 1.00 0.00 C ATOM 455 OH TYR A 33 1.210 -9.509 -2.514 1.00 0.00 O ATOM 0 H TYR A 33 4.636 -13.135 -7.572 1.00 0.00 H new ATOM 0 HA TYR A 33 1.789 -13.755 -7.081 1.00 0.00 H new ATOM 0 HB2 TYR A 33 2.929 -11.135 -8.177 1.00 0.00 H new ATOM 0 HB3 TYR A 33 1.238 -11.581 -8.286 1.00 0.00 H new ATOM 0 HD1 TYR A 33 3.797 -10.137 -6.146 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -0.080 -11.918 -6.099 1.00 0.00 H new ATOM 0 HE1 TYR A 33 3.395 -9.214 -3.915 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -0.484 -10.981 -3.872 1.00 0.00 H new ATOM 0 HH TYR A 33 0.317 -9.766 -2.204 1.00 0.00 H new ATOM 465 N ALA A 34 1.462 -14.387 -9.491 1.00 0.00 N ATOM 466 CA ALA A 34 1.251 -14.869 -10.867 1.00 0.00 C ATOM 467 C ALA A 34 0.747 -13.708 -11.754 1.00 0.00 C ATOM 468 O ALA A 34 0.336 -12.660 -11.243 1.00 0.00 O ATOM 469 CB ALA A 34 0.271 -16.060 -10.863 1.00 0.00 C ATOM 0 H ALA A 34 0.681 -14.589 -8.867 1.00 0.00 H new ATOM 0 HA ALA A 34 2.194 -15.222 -11.285 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.120 -16.411 -11.884 1.00 0.00 H new ATOM 0 HB2 ALA A 34 0.683 -16.868 -10.259 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -0.684 -15.744 -10.443 1.00 0.00 H new ATOM 475 N MET A 35 0.807 -13.881 -13.076 1.00 0.00 N ATOM 476 CA MET A 35 0.407 -12.840 -14.045 1.00 0.00 C ATOM 477 C MET A 35 -0.398 -13.461 -15.184 1.00 0.00 C ATOM 478 O MET A 35 -0.217 -14.623 -15.492 1.00 0.00 O ATOM 479 CB MET A 35 1.677 -12.163 -14.618 1.00 0.00 C ATOM 480 CG MET A 35 1.436 -11.045 -15.660 1.00 0.00 C ATOM 481 SD MET A 35 2.481 -11.200 -17.126 1.00 0.00 S ATOM 482 CE MET A 35 2.028 -12.835 -17.704 1.00 0.00 C ATOM 0 H MET A 35 1.133 -14.744 -13.512 1.00 0.00 H new ATOM 0 HA MET A 35 -0.212 -12.099 -13.539 1.00 0.00 H new ATOM 0 HB2 MET A 35 2.247 -11.743 -13.789 1.00 0.00 H new ATOM 0 HB3 MET A 35 2.300 -12.932 -15.076 1.00 0.00 H new ATOM 0 HG2 MET A 35 0.390 -11.061 -15.965 1.00 0.00 H new ATOM 0 HG3 MET A 35 1.618 -10.077 -15.193 1.00 0.00 H new ATOM 0 HE1 MET A 35 2.453 -13.002 -18.694 1.00 0.00 H new ATOM 0 HE2 MET A 35 2.412 -13.585 -17.013 1.00 0.00 H new ATOM 0 HE3 MET A 35 0.942 -12.914 -17.758 1.00 0.00 H new ATOM 492 N GLY A 36 -1.243 -12.655 -15.835 1.00 0.00 N ATOM 493 CA GLY A 36 -1.937 -13.064 -17.047 1.00 0.00 C ATOM 494 C GLY A 36 -2.132 -11.905 -18.001 1.00 0.00 C ATOM 495 O GLY A 36 -2.302 -10.769 -17.566 1.00 0.00 O ATOM 0 H GLY A 36 -1.460 -11.705 -15.533 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.369 -13.851 -17.543 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -2.907 -13.487 -16.785 1.00 0.00 H new ATOM 499 N TRP A 37 -2.106 -12.189 -19.306 1.00 0.00 N ATOM 500 CA TRP A 37 -2.420 -11.209 -20.355 1.00 0.00 C ATOM 501 C TRP A 37 -3.895 -11.377 -20.744 1.00 0.00 C ATOM 502 O TRP A 37 -4.364 -12.503 -20.965 1.00 0.00 O ATOM 503 CB TRP A 37 -1.513 -11.410 -21.596 1.00 0.00 C ATOM 504 CG TRP A 37 -0.039 -11.174 -21.338 1.00 0.00 C ATOM 505 CD1 TRP A 37 0.877 -12.089 -20.898 1.00 0.00 C ATOM 506 CD2 TRP A 37 0.683 -9.938 -21.505 1.00 0.00 C ATOM 507 NE1 TRP A 37 2.120 -11.511 -20.807 1.00 0.00 N ATOM 508 CE2 TRP A 37 2.024 -10.188 -21.155 1.00 0.00 C ATOM 509 CE3 TRP A 37 0.321 -8.643 -21.911 1.00 0.00 C ATOM 510 CZ2 TRP A 37 3.008 -9.199 -21.212 1.00 0.00 C ATOM 511 CZ3 TRP A 37 1.296 -7.663 -21.962 1.00 0.00 C ATOM 512 CH2 TRP A 37 2.625 -7.943 -21.610 1.00 0.00 C ATOM 0 H TRP A 37 -1.865 -13.111 -19.669 1.00 0.00 H new ATOM 0 HA TRP A 37 -2.240 -10.203 -19.977 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -1.646 -12.426 -21.968 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -1.844 -10.736 -22.386 1.00 0.00 H new ATOM 0 HD1 TRP A 37 0.655 -13.118 -20.657 1.00 0.00 H new ATOM 0 HE1 TRP A 37 2.976 -11.989 -20.526 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -0.700 -8.416 -22.179 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 4.034 -9.415 -20.952 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 1.030 -6.665 -22.278 1.00 0.00 H new ATOM 0 HH2 TRP A 37 3.361 -7.154 -21.653 1.00 0.00 H new ATOM 523 N PHE A 38 -4.619 -10.251 -20.758 1.00 0.00 N ATOM 524 CA PHE A 38 -6.047 -10.188 -21.111 1.00 0.00 C ATOM 525 C PHE A 38 -6.228 -9.111 -22.192 1.00 0.00 C ATOM 526 O PHE A 38 -5.579 -8.066 -22.128 1.00 0.00 O ATOM 527 CB PHE A 38 -6.896 -9.850 -19.849 1.00 0.00 C ATOM 528 CG PHE A 38 -6.806 -10.882 -18.715 1.00 0.00 C ATOM 529 CD1 PHE A 38 -7.759 -11.890 -18.583 1.00 0.00 C ATOM 530 CD2 PHE A 38 -5.761 -10.851 -17.788 1.00 0.00 C ATOM 531 CE1 PHE A 38 -7.677 -12.828 -17.569 1.00 0.00 C ATOM 532 CE2 PHE A 38 -5.678 -11.791 -16.773 1.00 0.00 C ATOM 533 CZ PHE A 38 -6.634 -12.779 -16.665 1.00 0.00 C ATOM 0 H PHE A 38 -4.224 -9.341 -20.521 1.00 0.00 H new ATOM 0 HA PHE A 38 -6.385 -11.151 -21.492 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -6.579 -8.881 -19.465 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -7.940 -9.749 -20.147 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -8.578 -11.940 -19.286 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -5.006 -10.082 -17.864 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -8.429 -13.599 -17.484 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -4.863 -11.750 -16.065 1.00 0.00 H new ATOM 0 HZ PHE A 38 -6.567 -13.513 -15.875 1.00 0.00 H new ATOM 543 N ARG A 39 -7.112 -9.354 -23.175 1.00 0.00 N ATOM 544 CA ARG A 39 -7.346 -8.398 -24.289 1.00 0.00 C ATOM 545 C ARG A 39 -8.700 -7.701 -24.100 1.00 0.00 C ATOM 546 O ARG A 39 -9.658 -8.325 -23.618 1.00 0.00 O ATOM 547 CB ARG A 39 -7.316 -9.120 -25.671 1.00 0.00 C ATOM 548 CG ARG A 39 -8.445 -10.154 -25.879 1.00 0.00 C ATOM 549 CD ARG A 39 -8.522 -10.718 -27.308 1.00 0.00 C ATOM 550 NE ARG A 39 -7.371 -11.571 -27.659 1.00 0.00 N ATOM 551 CZ ARG A 39 -7.277 -12.299 -28.786 1.00 0.00 C ATOM 552 NH1 ARG A 39 -8.276 -12.334 -29.660 1.00 0.00 N ATOM 553 NH2 ARG A 39 -6.178 -12.995 -29.030 1.00 0.00 N ATOM 0 H ARG A 39 -7.679 -10.200 -23.227 1.00 0.00 H new ATOM 0 HA ARG A 39 -6.545 -7.658 -24.274 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -7.378 -8.370 -26.460 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -6.355 -9.622 -25.783 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -8.301 -10.979 -25.181 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -9.399 -9.689 -25.631 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -9.440 -11.296 -27.415 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -8.582 -9.891 -28.015 1.00 0.00 H new ATOM 0 HE ARG A 39 -6.592 -11.612 -27.001 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -9.129 -11.804 -29.481 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -8.190 -12.891 -30.510 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -5.405 -12.978 -28.364 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -6.104 -13.548 -29.884 1.00 0.00 H new ATOM 567 N GLN A 40 -8.756 -6.403 -24.455 1.00 0.00 N ATOM 568 CA GLN A 40 -9.994 -5.608 -24.414 1.00 0.00 C ATOM 569 C GLN A 40 -9.795 -4.277 -25.150 1.00 0.00 C ATOM 570 O GLN A 40 -8.687 -3.764 -25.163 1.00 0.00 O ATOM 571 CB GLN A 40 -10.442 -5.378 -22.942 1.00 0.00 C ATOM 572 CG GLN A 40 -9.528 -4.509 -22.028 1.00 0.00 C ATOM 573 CD GLN A 40 -9.836 -2.996 -22.032 1.00 0.00 C ATOM 574 OE1 GLN A 40 -8.950 -2.171 -21.838 1.00 0.00 O ATOM 575 NE2 GLN A 40 -11.098 -2.622 -22.227 1.00 0.00 N ATOM 0 H GLN A 40 -7.943 -5.878 -24.778 1.00 0.00 H new ATOM 0 HA GLN A 40 -10.785 -6.159 -24.922 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -11.430 -4.918 -22.961 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -10.555 -6.354 -22.471 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -9.610 -4.877 -21.005 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -8.492 -4.653 -22.336 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -11.819 -3.325 -22.387 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -11.344 -1.632 -22.217 1.00 0.00 H new ATOM 584 N ALA A 41 -10.874 -3.772 -25.797 1.00 0.00 N ATOM 585 CA ALA A 41 -10.933 -2.410 -26.402 1.00 0.00 C ATOM 586 C ALA A 41 -12.277 -2.201 -27.165 1.00 0.00 C ATOM 587 O ALA A 41 -13.038 -1.294 -26.802 1.00 0.00 O ATOM 588 CB ALA A 41 -9.726 -2.052 -27.320 1.00 0.00 C ATOM 0 H ALA A 41 -11.738 -4.301 -25.917 1.00 0.00 H new ATOM 0 HA ALA A 41 -10.873 -1.722 -25.559 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -9.855 -1.044 -27.715 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -8.803 -2.100 -26.742 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -9.674 -2.761 -28.146 1.00 0.00 H new ATOM 594 N PRO A 42 -12.619 -3.025 -28.238 1.00 0.00 N ATOM 595 CA PRO A 42 -13.786 -2.750 -29.105 1.00 0.00 C ATOM 596 C PRO A 42 -15.083 -3.371 -28.550 1.00 0.00 C ATOM 597 O PRO A 42 -15.586 -4.389 -29.059 1.00 0.00 O ATOM 598 CB PRO A 42 -13.342 -3.348 -30.466 1.00 0.00 C ATOM 599 CG PRO A 42 -12.425 -4.494 -30.119 1.00 0.00 C ATOM 600 CD PRO A 42 -11.935 -4.278 -28.687 1.00 0.00 C ATOM 0 HA PRO A 42 -14.039 -1.693 -29.180 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -14.200 -3.692 -31.043 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -12.828 -2.603 -31.074 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -12.951 -5.445 -30.204 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -11.583 -4.533 -30.810 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -12.195 -5.122 -28.048 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -10.851 -4.172 -28.651 1.00 0.00 H new ATOM 608 N GLY A 43 -15.595 -2.759 -27.464 1.00 0.00 N ATOM 609 CA GLY A 43 -16.775 -3.269 -26.752 1.00 0.00 C ATOM 610 C GLY A 43 -16.484 -4.516 -25.915 1.00 0.00 C ATOM 611 O GLY A 43 -17.390 -5.081 -25.296 1.00 0.00 O ATOM 0 H GLY A 43 -15.205 -1.907 -27.062 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -17.165 -2.486 -26.102 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -17.556 -3.500 -27.476 1.00 0.00 H new ATOM 615 N LYS A 44 -15.211 -4.943 -25.901 1.00 0.00 N ATOM 616 CA LYS A 44 -14.769 -6.152 -25.195 1.00 0.00 C ATOM 617 C LYS A 44 -14.158 -5.762 -23.844 1.00 0.00 C ATOM 618 O LYS A 44 -13.461 -4.741 -23.745 1.00 0.00 O ATOM 619 CB LYS A 44 -13.740 -6.943 -26.056 1.00 0.00 C ATOM 620 CG LYS A 44 -14.198 -7.279 -27.499 1.00 0.00 C ATOM 621 CD LYS A 44 -15.484 -8.142 -27.578 1.00 0.00 C ATOM 622 CE LYS A 44 -15.300 -9.582 -27.055 1.00 0.00 C ATOM 623 NZ LYS A 44 -14.298 -10.359 -27.851 1.00 0.00 N ATOM 0 H LYS A 44 -14.456 -4.454 -26.383 1.00 0.00 H new ATOM 0 HA LYS A 44 -15.629 -6.799 -25.022 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -12.818 -6.365 -26.111 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -13.502 -7.875 -25.542 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -14.366 -6.348 -28.040 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -13.391 -7.804 -28.011 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -16.273 -7.655 -27.005 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -15.821 -8.182 -28.614 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -14.983 -9.548 -26.013 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -16.259 -10.099 -27.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -14.729 -11.246 -28.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -13.995 -9.796 -28.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -13.473 -10.575 -27.255 1.00 0.00 H new ATOM 637 N GLU A 45 -14.466 -6.557 -22.810 1.00 0.00 N ATOM 638 CA GLU A 45 -13.840 -6.454 -21.477 1.00 0.00 C ATOM 639 C GLU A 45 -12.633 -7.414 -21.400 1.00 0.00 C ATOM 640 O GLU A 45 -12.361 -8.140 -22.365 1.00 0.00 O ATOM 641 CB GLU A 45 -14.883 -6.781 -20.377 1.00 0.00 C ATOM 642 CG GLU A 45 -15.482 -8.201 -20.464 1.00 0.00 C ATOM 643 CD GLU A 45 -16.566 -8.476 -19.408 1.00 0.00 C ATOM 644 OE1 GLU A 45 -16.230 -8.963 -18.309 1.00 0.00 O ATOM 645 OE2 GLU A 45 -17.757 -8.202 -19.671 1.00 0.00 O ATOM 0 H GLU A 45 -15.164 -7.299 -22.872 1.00 0.00 H new ATOM 0 HA GLU A 45 -13.485 -5.436 -21.315 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -14.414 -6.658 -19.401 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -15.693 -6.054 -20.435 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -15.908 -8.347 -21.457 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -14.681 -8.932 -20.350 1.00 0.00 H new ATOM 652 N ARG A 46 -11.886 -7.383 -20.276 1.00 0.00 N ATOM 653 CA ARG A 46 -10.720 -8.279 -20.075 1.00 0.00 C ATOM 654 C ARG A 46 -11.164 -9.754 -20.108 1.00 0.00 C ATOM 655 O ARG A 46 -11.799 -10.244 -19.167 1.00 0.00 O ATOM 656 CB ARG A 46 -9.994 -7.966 -18.735 1.00 0.00 C ATOM 657 CG ARG A 46 -9.241 -6.617 -18.703 1.00 0.00 C ATOM 658 CD ARG A 46 -8.537 -6.376 -17.350 1.00 0.00 C ATOM 659 NE ARG A 46 -7.820 -5.088 -17.316 1.00 0.00 N ATOM 660 CZ ARG A 46 -8.233 -3.976 -16.678 1.00 0.00 C ATOM 661 NH1 ARG A 46 -9.408 -3.938 -16.049 1.00 0.00 N ATOM 662 NH2 ARG A 46 -7.456 -2.901 -16.680 1.00 0.00 N ATOM 0 H ARG A 46 -12.066 -6.751 -19.495 1.00 0.00 H new ATOM 0 HA ARG A 46 -10.018 -8.103 -20.890 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -10.729 -7.975 -17.930 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -9.284 -8.767 -18.527 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -8.502 -6.596 -19.504 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -9.943 -5.806 -18.895 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -9.276 -6.400 -16.549 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -7.834 -7.186 -17.159 1.00 0.00 H new ATOM 0 HE ARG A 46 -6.934 -5.034 -17.819 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -10.011 -4.760 -16.045 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -9.703 -3.087 -15.571 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -6.557 -2.923 -17.161 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -7.758 -2.053 -16.200 1.00 0.00 H new ATOM 676 N GLU A 47 -10.846 -10.430 -21.217 1.00 0.00 N ATOM 677 CA GLU A 47 -11.159 -11.850 -21.424 1.00 0.00 C ATOM 678 C GLU A 47 -9.864 -12.672 -21.353 1.00 0.00 C ATOM 679 O GLU A 47 -8.781 -12.174 -21.713 1.00 0.00 O ATOM 680 CB GLU A 47 -11.876 -12.040 -22.788 1.00 0.00 C ATOM 681 CG GLU A 47 -11.061 -11.585 -24.014 1.00 0.00 C ATOM 682 CD GLU A 47 -11.832 -11.688 -25.340 1.00 0.00 C ATOM 683 OE1 GLU A 47 -12.369 -10.665 -25.814 1.00 0.00 O ATOM 684 OE2 GLU A 47 -11.912 -12.801 -25.906 1.00 0.00 O ATOM 0 H GLU A 47 -10.359 -10.003 -22.005 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.832 -12.200 -20.641 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -12.127 -13.094 -22.907 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -12.816 -11.488 -22.769 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -10.745 -10.552 -23.867 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -10.156 -12.188 -24.082 1.00 0.00 H new ATOM 691 N PHE A 48 -9.986 -13.918 -20.865 1.00 0.00 N ATOM 692 CA PHE A 48 -8.845 -14.827 -20.642 1.00 0.00 C ATOM 693 C PHE A 48 -8.129 -15.161 -21.963 1.00 0.00 C ATOM 694 O PHE A 48 -8.689 -15.838 -22.836 1.00 0.00 O ATOM 695 CB PHE A 48 -9.310 -16.129 -19.925 1.00 0.00 C ATOM 696 CG PHE A 48 -8.227 -17.214 -19.807 1.00 0.00 C ATOM 697 CD1 PHE A 48 -7.108 -17.027 -18.990 1.00 0.00 C ATOM 698 CD2 PHE A 48 -8.316 -18.410 -20.529 1.00 0.00 C ATOM 699 CE1 PHE A 48 -6.124 -17.999 -18.902 1.00 0.00 C ATOM 700 CE2 PHE A 48 -7.332 -19.375 -20.432 1.00 0.00 C ATOM 701 CZ PHE A 48 -6.235 -19.167 -19.623 1.00 0.00 C ATOM 0 H PHE A 48 -10.885 -14.327 -20.612 1.00 0.00 H new ATOM 0 HA PHE A 48 -8.132 -14.313 -19.997 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -9.660 -15.873 -18.925 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -10.162 -16.541 -20.465 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -7.009 -16.114 -18.421 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -9.167 -18.581 -21.172 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -5.266 -17.840 -18.265 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -7.422 -20.295 -20.991 1.00 0.00 H new ATOM 0 HZ PHE A 48 -5.463 -19.920 -19.555 1.00 0.00 H new ATOM 711 N VAL A 49 -6.900 -14.648 -22.106 1.00 0.00 N ATOM 712 CA VAL A 49 -6.002 -15.033 -23.193 1.00 0.00 C ATOM 713 C VAL A 49 -5.051 -16.120 -22.666 1.00 0.00 C ATOM 714 O VAL A 49 -5.139 -17.275 -23.087 1.00 0.00 O ATOM 715 CB VAL A 49 -5.204 -13.804 -23.760 1.00 0.00 C ATOM 716 CG1 VAL A 49 -4.275 -14.212 -24.925 1.00 0.00 C ATOM 717 CG2 VAL A 49 -6.172 -12.672 -24.183 1.00 0.00 C ATOM 0 H VAL A 49 -6.504 -13.956 -21.470 1.00 0.00 H new ATOM 0 HA VAL A 49 -6.589 -15.421 -24.025 1.00 0.00 H new ATOM 0 HB VAL A 49 -4.566 -13.426 -22.961 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -3.741 -13.334 -25.289 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -3.557 -14.954 -24.575 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -4.870 -14.636 -25.734 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -5.599 -11.830 -24.573 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.847 -13.040 -24.955 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -6.752 -12.347 -23.319 1.00 0.00 H new ATOM 727 N ALA A 50 -4.187 -15.753 -21.696 1.00 0.00 N ATOM 728 CA ALA A 50 -3.176 -16.678 -21.151 1.00 0.00 C ATOM 729 C ALA A 50 -2.629 -16.180 -19.797 1.00 0.00 C ATOM 730 O ALA A 50 -2.327 -15.003 -19.653 1.00 0.00 O ATOM 731 CB ALA A 50 -2.044 -16.865 -22.180 1.00 0.00 C ATOM 0 H ALA A 50 -4.171 -14.824 -21.276 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.646 -17.644 -20.965 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.296 -17.549 -21.778 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.455 -17.277 -23.102 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.580 -15.901 -22.389 1.00 0.00 H new ATOM 737 N VAL A 51 -2.506 -17.100 -18.813 1.00 0.00 N ATOM 738 CA VAL A 51 -1.949 -16.824 -17.458 1.00 0.00 C ATOM 739 C VAL A 51 -0.730 -17.746 -17.212 1.00 0.00 C ATOM 740 O VAL A 51 -0.653 -18.833 -17.770 1.00 0.00 O ATOM 741 CB VAL A 51 -3.052 -17.025 -16.325 1.00 0.00 C ATOM 742 CG1 VAL A 51 -2.479 -16.875 -14.886 1.00 0.00 C ATOM 743 CG2 VAL A 51 -4.237 -16.050 -16.528 1.00 0.00 C ATOM 0 H VAL A 51 -2.794 -18.071 -18.934 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.630 -15.783 -17.413 1.00 0.00 H new ATOM 0 HB VAL A 51 -3.407 -18.051 -16.425 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -3.278 -17.023 -14.159 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.700 -17.620 -14.725 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -2.058 -15.877 -14.764 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -4.976 -16.207 -15.742 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -3.875 -15.023 -16.485 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -4.696 -16.233 -17.500 1.00 0.00 H new ATOM 753 N VAL A 52 0.230 -17.285 -16.408 1.00 0.00 N ATOM 754 CA VAL A 52 1.439 -18.042 -16.030 1.00 0.00 C ATOM 755 C VAL A 52 1.800 -17.703 -14.567 1.00 0.00 C ATOM 756 O VAL A 52 1.295 -16.721 -14.011 1.00 0.00 O ATOM 757 CB VAL A 52 2.651 -17.696 -16.990 1.00 0.00 C ATOM 758 CG1 VAL A 52 3.237 -16.284 -16.702 1.00 0.00 C ATOM 759 CG2 VAL A 52 3.756 -18.786 -16.963 1.00 0.00 C ATOM 0 H VAL A 52 0.194 -16.356 -15.989 1.00 0.00 H new ATOM 0 HA VAL A 52 1.238 -19.109 -16.126 1.00 0.00 H new ATOM 0 HB VAL A 52 2.246 -17.680 -18.002 1.00 0.00 H new ATOM 0 HG11 VAL A 52 4.065 -16.088 -17.383 1.00 0.00 H new ATOM 0 HG12 VAL A 52 2.462 -15.532 -16.848 1.00 0.00 H new ATOM 0 HG13 VAL A 52 3.595 -16.241 -15.673 1.00 0.00 H new ATOM 0 HG21 VAL A 52 4.564 -18.502 -17.637 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.146 -18.883 -15.950 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.335 -19.739 -17.283 1.00 0.00 H new ATOM 769 N ASN A 53 2.655 -18.525 -13.940 1.00 0.00 N ATOM 770 CA ASN A 53 3.244 -18.206 -12.626 1.00 0.00 C ATOM 771 C ASN A 53 4.505 -17.334 -12.790 1.00 0.00 C ATOM 772 O ASN A 53 5.068 -17.234 -13.888 1.00 0.00 O ATOM 773 CB ASN A 53 3.564 -19.504 -11.836 1.00 0.00 C ATOM 774 CG ASN A 53 2.315 -20.266 -11.375 1.00 0.00 C ATOM 775 OD1 ASN A 53 1.265 -20.226 -12.015 1.00 0.00 O ATOM 776 ND2 ASN A 53 2.421 -20.973 -10.255 1.00 0.00 N ATOM 0 H ASN A 53 2.957 -19.421 -14.323 1.00 0.00 H new ATOM 0 HA ASN A 53 2.512 -17.636 -12.054 1.00 0.00 H new ATOM 0 HB2 ASN A 53 4.169 -20.160 -12.461 1.00 0.00 H new ATOM 0 HB3 ASN A 53 4.167 -19.249 -10.964 1.00 0.00 H new ATOM 0 HD21 ASN A 53 1.620 -21.500 -9.907 1.00 0.00 H new ATOM 0 HD22 ASN A 53 3.303 -20.989 -9.744 1.00 0.00 H new ATOM 783 N TRP A 54 4.929 -16.735 -11.673 1.00 0.00 N ATOM 784 CA TRP A 54 6.098 -15.833 -11.583 1.00 0.00 C ATOM 785 C TRP A 54 7.399 -16.444 -12.169 1.00 0.00 C ATOM 786 O TRP A 54 8.143 -15.766 -12.882 1.00 0.00 O ATOM 787 CB TRP A 54 6.290 -15.421 -10.097 1.00 0.00 C ATOM 788 CG TRP A 54 6.314 -16.582 -9.105 1.00 0.00 C ATOM 789 CD1 TRP A 54 7.410 -17.261 -8.662 1.00 0.00 C ATOM 790 CD2 TRP A 54 5.185 -17.190 -8.441 1.00 0.00 C ATOM 791 NE1 TRP A 54 7.041 -18.247 -7.788 1.00 0.00 N ATOM 792 CE2 TRP A 54 5.684 -18.226 -7.636 1.00 0.00 C ATOM 793 CE3 TRP A 54 3.803 -16.962 -8.459 1.00 0.00 C ATOM 794 CZ2 TRP A 54 4.859 -19.027 -6.851 1.00 0.00 C ATOM 795 CZ3 TRP A 54 2.980 -17.752 -7.680 1.00 0.00 C ATOM 796 CH2 TRP A 54 3.510 -18.778 -6.887 1.00 0.00 C ATOM 0 H TRP A 54 4.460 -16.863 -10.777 1.00 0.00 H new ATOM 0 HA TRP A 54 5.894 -14.956 -12.198 1.00 0.00 H new ATOM 0 HB2 TRP A 54 7.224 -14.866 -10.007 1.00 0.00 H new ATOM 0 HB3 TRP A 54 5.486 -14.740 -9.817 1.00 0.00 H new ATOM 0 HD1 TRP A 54 8.427 -17.050 -8.959 1.00 0.00 H new ATOM 0 HE1 TRP A 54 7.678 -18.895 -7.324 1.00 0.00 H new ATOM 0 HE3 TRP A 54 3.386 -16.178 -9.074 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 5.266 -19.816 -6.236 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.914 -17.576 -7.682 1.00 0.00 H new ATOM 0 HH2 TRP A 54 2.844 -19.385 -6.292 1.00 0.00 H new ATOM 807 N SER A 55 7.652 -17.726 -11.859 1.00 0.00 N ATOM 808 CA SER A 55 8.824 -18.475 -12.374 1.00 0.00 C ATOM 809 C SER A 55 8.465 -19.296 -13.627 1.00 0.00 C ATOM 810 O SER A 55 9.350 -19.870 -14.268 1.00 0.00 O ATOM 811 CB SER A 55 9.378 -19.410 -11.272 1.00 0.00 C ATOM 812 OG SER A 55 9.761 -18.683 -10.118 1.00 0.00 O ATOM 0 H SER A 55 7.053 -18.278 -11.245 1.00 0.00 H new ATOM 0 HA SER A 55 9.587 -17.750 -12.656 1.00 0.00 H new ATOM 0 HB2 SER A 55 8.621 -20.147 -11.004 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.236 -19.960 -11.658 1.00 0.00 H new ATOM 0 HG SER A 55 8.963 -18.318 -9.682 1.00 0.00 H new ATOM 818 N GLY A 56 7.169 -19.321 -13.983 1.00 0.00 N ATOM 819 CA GLY A 56 6.676 -20.169 -15.071 1.00 0.00 C ATOM 820 C GLY A 56 6.337 -21.578 -14.601 1.00 0.00 C ATOM 821 O GLY A 56 6.283 -22.511 -15.408 1.00 0.00 O ATOM 0 H GLY A 56 6.447 -18.761 -13.530 1.00 0.00 H new ATOM 0 HA2 GLY A 56 5.789 -19.712 -15.511 1.00 0.00 H new ATOM 0 HA3 GLY A 56 7.430 -20.222 -15.857 1.00 0.00 H new ATOM 825 N ARG A 57 6.119 -21.711 -13.274 1.00 0.00 N ATOM 826 CA ARG A 57 5.845 -22.998 -12.595 1.00 0.00 C ATOM 827 C ARG A 57 4.604 -23.701 -13.182 1.00 0.00 C ATOM 828 O ARG A 57 4.592 -24.922 -13.358 1.00 0.00 O ATOM 829 CB ARG A 57 5.664 -22.746 -11.074 1.00 0.00 C ATOM 830 CG ARG A 57 5.606 -24.016 -10.188 1.00 0.00 C ATOM 831 CD ARG A 57 6.915 -24.834 -10.227 1.00 0.00 C ATOM 832 NE ARG A 57 6.925 -25.923 -9.230 1.00 0.00 N ATOM 833 CZ ARG A 57 7.949 -26.764 -9.010 1.00 0.00 C ATOM 834 NH1 ARG A 57 9.057 -26.703 -9.739 1.00 0.00 N ATOM 835 NH2 ARG A 57 7.861 -27.660 -8.043 1.00 0.00 N ATOM 0 H ARG A 57 6.128 -20.916 -12.635 1.00 0.00 H new ATOM 0 HA ARG A 57 6.694 -23.662 -12.757 1.00 0.00 H new ATOM 0 HB2 ARG A 57 6.486 -22.120 -10.727 1.00 0.00 H new ATOM 0 HB3 ARG A 57 4.746 -22.178 -10.925 1.00 0.00 H new ATOM 0 HG2 ARG A 57 5.395 -23.726 -9.159 1.00 0.00 H new ATOM 0 HG3 ARG A 57 4.780 -24.646 -10.518 1.00 0.00 H new ATOM 0 HD2 ARG A 57 7.048 -25.255 -11.223 1.00 0.00 H new ATOM 0 HD3 ARG A 57 7.761 -24.171 -10.046 1.00 0.00 H new ATOM 0 HE ARG A 57 6.087 -26.047 -8.662 1.00 0.00 H new ATOM 0 HH11 ARG A 57 9.141 -26.009 -10.481 1.00 0.00 H new ATOM 0 HH12 ARG A 57 9.824 -27.350 -9.557 1.00 0.00 H new ATOM 0 HH21 ARG A 57 7.019 -27.710 -7.469 1.00 0.00 H new ATOM 0 HH22 ARG A 57 8.635 -28.302 -7.870 1.00 0.00 H new ATOM 849 N ARG A 58 3.564 -22.903 -13.475 1.00 0.00 N ATOM 850 CA ARG A 58 2.313 -23.377 -14.102 1.00 0.00 C ATOM 851 C ARG A 58 1.946 -22.440 -15.261 1.00 0.00 C ATOM 852 O ARG A 58 2.078 -21.218 -15.133 1.00 0.00 O ATOM 853 CB ARG A 58 1.155 -23.433 -13.068 1.00 0.00 C ATOM 854 CG ARG A 58 1.352 -24.467 -11.942 1.00 0.00 C ATOM 855 CD ARG A 58 0.163 -24.538 -10.974 1.00 0.00 C ATOM 856 NE ARG A 58 0.314 -25.635 -9.996 1.00 0.00 N ATOM 857 CZ ARG A 58 -0.634 -26.035 -9.135 1.00 0.00 C ATOM 858 NH1 ARG A 58 -1.812 -25.425 -9.091 1.00 0.00 N ATOM 859 NH2 ARG A 58 -0.402 -27.063 -8.332 1.00 0.00 N ATOM 0 H ARG A 58 3.565 -21.901 -13.283 1.00 0.00 H new ATOM 0 HA ARG A 58 2.469 -24.387 -14.480 1.00 0.00 H new ATOM 0 HB2 ARG A 58 1.036 -22.446 -12.621 1.00 0.00 H new ATOM 0 HB3 ARG A 58 0.227 -23.659 -13.593 1.00 0.00 H new ATOM 0 HG2 ARG A 58 1.512 -25.450 -12.384 1.00 0.00 H new ATOM 0 HG3 ARG A 58 2.254 -24.218 -11.383 1.00 0.00 H new ATOM 0 HD2 ARG A 58 0.069 -23.590 -10.445 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -0.758 -24.680 -11.540 1.00 0.00 H new ATOM 0 HE ARG A 58 1.208 -26.126 -9.974 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -2.005 -24.643 -9.716 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -2.524 -25.739 -8.432 1.00 0.00 H new ATOM 0 HH21 ARG A 58 0.495 -27.547 -8.370 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -1.120 -27.370 -7.676 1.00 0.00 H new ATOM 873 N THR A 59 1.501 -23.027 -16.380 1.00 0.00 N ATOM 874 CA THR A 59 1.079 -22.298 -17.585 1.00 0.00 C ATOM 875 C THR A 59 -0.409 -22.558 -17.866 1.00 0.00 C ATOM 876 O THR A 59 -0.900 -23.677 -17.679 1.00 0.00 O ATOM 877 CB THR A 59 1.926 -22.718 -18.831 1.00 0.00 C ATOM 878 OG1 THR A 59 1.900 -24.153 -18.985 1.00 0.00 O ATOM 879 CG2 THR A 59 3.381 -22.234 -18.725 1.00 0.00 C ATOM 0 H THR A 59 1.423 -24.039 -16.476 1.00 0.00 H new ATOM 0 HA THR A 59 1.238 -21.235 -17.403 1.00 0.00 H new ATOM 0 HB THR A 59 1.480 -22.245 -19.706 1.00 0.00 H new ATOM 0 HG1 THR A 59 2.431 -24.408 -19.768 1.00 0.00 H new ATOM 0 HG21 THR A 59 3.934 -22.547 -19.611 1.00 0.00 H new ATOM 0 HG22 THR A 59 3.398 -21.147 -18.652 1.00 0.00 H new ATOM 0 HG23 THR A 59 3.844 -22.665 -17.837 1.00 0.00 H new ATOM 887 N TYR A 60 -1.099 -21.508 -18.320 1.00 0.00 N ATOM 888 CA TYR A 60 -2.534 -21.515 -18.632 1.00 0.00 C ATOM 889 C TYR A 60 -2.719 -20.775 -19.962 1.00 0.00 C ATOM 890 O TYR A 60 -2.230 -19.657 -20.113 1.00 0.00 O ATOM 891 CB TYR A 60 -3.352 -20.804 -17.509 1.00 0.00 C ATOM 892 CG TYR A 60 -3.100 -21.354 -16.092 1.00 0.00 C ATOM 893 CD1 TYR A 60 -3.724 -22.523 -15.654 1.00 0.00 C ATOM 894 CD2 TYR A 60 -2.217 -20.718 -15.206 1.00 0.00 C ATOM 895 CE1 TYR A 60 -3.491 -23.027 -14.392 1.00 0.00 C ATOM 896 CE2 TYR A 60 -1.986 -21.224 -13.942 1.00 0.00 C ATOM 897 CZ TYR A 60 -2.620 -22.381 -13.545 1.00 0.00 C ATOM 898 OH TYR A 60 -2.398 -22.885 -12.285 1.00 0.00 O ATOM 0 H TYR A 60 -0.663 -20.601 -18.486 1.00 0.00 H new ATOM 0 HA TYR A 60 -2.896 -22.541 -18.702 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -3.113 -19.741 -17.520 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -4.414 -20.895 -17.737 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -4.402 -23.042 -16.316 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -1.709 -19.817 -15.518 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -3.992 -23.928 -14.069 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -1.312 -20.716 -13.268 1.00 0.00 H new ATOM 0 HH TYR A 60 -1.757 -22.314 -11.813 1.00 0.00 H new ATOM 908 N TYR A 61 -3.371 -21.416 -20.934 1.00 0.00 N ATOM 909 CA TYR A 61 -3.660 -20.807 -22.243 1.00 0.00 C ATOM 910 C TYR A 61 -5.087 -21.163 -22.653 1.00 0.00 C ATOM 911 O TYR A 61 -5.557 -22.278 -22.376 1.00 0.00 O ATOM 912 CB TYR A 61 -2.681 -21.321 -23.339 1.00 0.00 C ATOM 913 CG TYR A 61 -1.187 -21.019 -23.114 1.00 0.00 C ATOM 914 CD1 TYR A 61 -0.601 -19.843 -23.597 1.00 0.00 C ATOM 915 CD2 TYR A 61 -0.362 -21.909 -22.414 1.00 0.00 C ATOM 916 CE1 TYR A 61 0.742 -19.572 -23.392 1.00 0.00 C ATOM 917 CE2 TYR A 61 0.980 -21.637 -22.211 1.00 0.00 C ATOM 918 CZ TYR A 61 1.524 -20.469 -22.697 1.00 0.00 C ATOM 919 OH TYR A 61 2.863 -20.198 -22.489 1.00 0.00 O ATOM 0 H TYR A 61 -3.715 -22.372 -20.840 1.00 0.00 H new ATOM 0 HA TYR A 61 -3.539 -19.728 -22.151 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -2.803 -22.401 -23.428 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -2.978 -20.887 -24.294 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -1.208 -19.133 -24.140 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -0.781 -22.825 -22.025 1.00 0.00 H new ATOM 0 HE1 TYR A 61 1.175 -18.660 -23.776 1.00 0.00 H new ATOM 0 HE2 TYR A 61 1.599 -22.339 -21.673 1.00 0.00 H new ATOM 0 HH TYR A 61 3.270 -20.931 -21.981 1.00 0.00 H new ATOM 929 N ALA A 62 -5.774 -20.207 -23.289 1.00 0.00 N ATOM 930 CA ALA A 62 -6.994 -20.484 -24.049 1.00 0.00 C ATOM 931 C ALA A 62 -6.595 -21.365 -25.246 1.00 0.00 C ATOM 932 O ALA A 62 -5.619 -21.044 -25.920 1.00 0.00 O ATOM 933 CB ALA A 62 -7.646 -19.168 -24.507 1.00 0.00 C ATOM 0 H ALA A 62 -5.500 -19.225 -23.290 1.00 0.00 H new ATOM 0 HA ALA A 62 -7.731 -21.004 -23.436 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -8.552 -19.388 -25.071 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -7.899 -18.564 -23.635 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.949 -18.618 -25.140 1.00 0.00 H new ATOM 939 N ASP A 63 -7.322 -22.475 -25.490 1.00 0.00 N ATOM 940 CA ASP A 63 -6.912 -23.506 -26.487 1.00 0.00 C ATOM 941 C ASP A 63 -6.734 -22.916 -27.906 1.00 0.00 C ATOM 942 O ASP A 63 -5.949 -23.437 -28.708 1.00 0.00 O ATOM 943 CB ASP A 63 -7.916 -24.682 -26.514 1.00 0.00 C ATOM 944 CG ASP A 63 -9.285 -24.316 -27.116 1.00 0.00 C ATOM 945 OD1 ASP A 63 -10.082 -23.662 -26.417 1.00 0.00 O ATOM 946 OD2 ASP A 63 -9.554 -24.657 -28.293 1.00 0.00 O ATOM 0 H ASP A 63 -8.198 -22.687 -25.013 1.00 0.00 H new ATOM 0 HA ASP A 63 -5.940 -23.881 -26.167 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -7.485 -25.503 -27.088 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -8.062 -25.046 -25.497 1.00 0.00 H new ATOM 951 N SER A 64 -7.459 -21.822 -28.176 1.00 0.00 N ATOM 952 CA SER A 64 -7.373 -21.075 -29.437 1.00 0.00 C ATOM 953 C SER A 64 -6.001 -20.386 -29.591 1.00 0.00 C ATOM 954 O SER A 64 -5.409 -20.403 -30.677 1.00 0.00 O ATOM 955 CB SER A 64 -8.501 -20.028 -29.492 1.00 0.00 C ATOM 956 OG SER A 64 -8.447 -19.142 -28.375 1.00 0.00 O ATOM 0 H SER A 64 -8.129 -21.427 -27.517 1.00 0.00 H new ATOM 0 HA SER A 64 -7.485 -21.779 -30.262 1.00 0.00 H new ATOM 0 HB2 SER A 64 -8.423 -19.455 -30.416 1.00 0.00 H new ATOM 0 HB3 SER A 64 -9.467 -20.533 -29.511 1.00 0.00 H new ATOM 0 HG SER A 64 -9.175 -18.489 -28.440 1.00 0.00 H new ATOM 962 N VAL A 65 -5.499 -19.787 -28.490 1.00 0.00 N ATOM 963 CA VAL A 65 -4.192 -19.101 -28.474 1.00 0.00 C ATOM 964 C VAL A 65 -3.063 -20.066 -28.043 1.00 0.00 C ATOM 965 O VAL A 65 -1.894 -19.714 -28.118 1.00 0.00 O ATOM 966 CB VAL A 65 -4.188 -17.814 -27.556 1.00 0.00 C ATOM 967 CG1 VAL A 65 -5.343 -16.857 -27.938 1.00 0.00 C ATOM 968 CG2 VAL A 65 -4.209 -18.164 -26.043 1.00 0.00 C ATOM 0 H VAL A 65 -5.985 -19.766 -27.594 1.00 0.00 H new ATOM 0 HA VAL A 65 -4.008 -18.770 -29.496 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.247 -17.294 -27.737 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -5.318 -15.980 -27.291 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.229 -16.546 -28.976 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -6.297 -17.371 -27.815 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.205 -17.245 -25.457 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -5.108 -18.737 -25.814 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -3.328 -18.756 -25.794 1.00 0.00 H new ATOM 978 N LYS A 66 -3.425 -21.281 -27.601 1.00 0.00 N ATOM 979 CA LYS A 66 -2.453 -22.294 -27.151 1.00 0.00 C ATOM 980 C LYS A 66 -1.773 -22.928 -28.372 1.00 0.00 C ATOM 981 O LYS A 66 -2.439 -23.562 -29.197 1.00 0.00 O ATOM 982 CB LYS A 66 -3.148 -23.379 -26.282 1.00 0.00 C ATOM 983 CG LYS A 66 -2.189 -24.402 -25.627 1.00 0.00 C ATOM 984 CD LYS A 66 -2.911 -25.361 -24.644 1.00 0.00 C ATOM 985 CE LYS A 66 -3.989 -26.225 -25.326 1.00 0.00 C ATOM 986 NZ LYS A 66 -3.418 -27.098 -26.384 1.00 0.00 N ATOM 0 H LYS A 66 -4.396 -21.589 -27.545 1.00 0.00 H new ATOM 0 HA LYS A 66 -1.696 -21.810 -26.533 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -3.719 -22.884 -25.497 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -3.862 -23.919 -26.904 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -1.703 -24.988 -26.407 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -1.404 -23.867 -25.094 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -2.174 -26.013 -24.175 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -3.372 -24.776 -23.848 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -4.486 -26.841 -24.577 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -4.750 -25.578 -25.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -4.157 -27.734 -26.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -3.056 -26.510 -27.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -2.641 -27.663 -25.986 1.00 0.00 H new ATOM 1000 N GLY A 67 -0.453 -22.718 -28.484 1.00 0.00 N ATOM 1001 CA GLY A 67 0.336 -23.196 -29.619 1.00 0.00 C ATOM 1002 C GLY A 67 0.745 -22.072 -30.562 1.00 0.00 C ATOM 1003 O GLY A 67 1.634 -22.260 -31.395 1.00 0.00 O ATOM 0 H GLY A 67 0.094 -22.211 -27.788 1.00 0.00 H new ATOM 0 HA2 GLY A 67 1.230 -23.699 -29.250 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -0.241 -23.937 -30.172 1.00 0.00 H new ATOM 1007 N ARG A 68 0.090 -20.899 -30.439 1.00 0.00 N ATOM 1008 CA ARG A 68 0.436 -19.691 -31.226 1.00 0.00 C ATOM 1009 C ARG A 68 0.920 -18.563 -30.280 1.00 0.00 C ATOM 1010 O ARG A 68 1.624 -17.655 -30.696 1.00 0.00 O ATOM 1011 CB ARG A 68 -0.776 -19.241 -32.098 1.00 0.00 C ATOM 1012 CG ARG A 68 -1.951 -18.627 -31.311 1.00 0.00 C ATOM 1013 CD ARG A 68 -3.124 -18.167 -32.205 1.00 0.00 C ATOM 1014 NE ARG A 68 -3.870 -19.303 -32.777 1.00 0.00 N ATOM 1015 CZ ARG A 68 -4.696 -19.246 -33.829 1.00 0.00 C ATOM 1016 NH1 ARG A 68 -4.868 -18.117 -34.511 1.00 0.00 N ATOM 1017 NH2 ARG A 68 -5.349 -20.334 -34.193 1.00 0.00 N ATOM 0 H ARG A 68 -0.690 -20.760 -29.796 1.00 0.00 H new ATOM 0 HA ARG A 68 1.253 -19.927 -31.907 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -0.428 -18.512 -32.829 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -1.143 -20.102 -32.656 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -2.319 -19.360 -30.593 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -1.587 -17.775 -30.738 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -3.803 -17.547 -31.619 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -2.740 -17.544 -33.013 1.00 0.00 H new ATOM 0 HE ARG A 68 -3.746 -20.212 -32.332 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -4.366 -17.273 -34.235 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -5.502 -18.095 -35.310 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -5.221 -21.203 -33.675 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -5.982 -20.306 -34.993 1.00 0.00 H new ATOM 1031 N PHE A 69 0.524 -18.631 -29.000 1.00 0.00 N ATOM 1032 CA PHE A 69 0.984 -17.709 -27.937 1.00 0.00 C ATOM 1033 C PHE A 69 1.853 -18.498 -26.946 1.00 0.00 C ATOM 1034 O PHE A 69 1.589 -19.677 -26.678 1.00 0.00 O ATOM 1035 CB PHE A 69 -0.210 -17.035 -27.182 1.00 0.00 C ATOM 1036 CG PHE A 69 -0.948 -15.889 -27.905 1.00 0.00 C ATOM 1037 CD1 PHE A 69 -1.544 -14.858 -27.171 1.00 0.00 C ATOM 1038 CD2 PHE A 69 -1.066 -15.838 -29.289 1.00 0.00 C ATOM 1039 CE1 PHE A 69 -2.227 -13.831 -27.799 1.00 0.00 C ATOM 1040 CE2 PHE A 69 -1.747 -14.811 -29.917 1.00 0.00 C ATOM 1041 CZ PHE A 69 -2.328 -13.809 -29.167 1.00 0.00 C ATOM 0 H PHE A 69 -0.133 -19.335 -28.664 1.00 0.00 H new ATOM 0 HA PHE A 69 1.560 -16.909 -28.401 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -0.940 -17.809 -26.945 1.00 0.00 H new ATOM 0 HB3 PHE A 69 0.165 -16.650 -26.234 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -1.470 -14.864 -26.094 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -0.616 -16.617 -29.887 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -2.681 -13.046 -27.212 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -1.824 -14.793 -30.994 1.00 0.00 H new ATOM 0 HZ PHE A 69 -2.862 -13.008 -29.657 1.00 0.00 H new ATOM 1051 N THR A 70 2.894 -17.839 -26.424 1.00 0.00 N ATOM 1052 CA THR A 70 3.812 -18.413 -25.432 1.00 0.00 C ATOM 1053 C THR A 70 4.230 -17.312 -24.446 1.00 0.00 C ATOM 1054 O THR A 70 4.631 -16.218 -24.866 1.00 0.00 O ATOM 1055 CB THR A 70 5.079 -19.033 -26.121 1.00 0.00 C ATOM 1056 OG1 THR A 70 4.671 -20.045 -27.057 1.00 0.00 O ATOM 1057 CG2 THR A 70 6.059 -19.649 -25.105 1.00 0.00 C ATOM 0 H THR A 70 3.126 -16.880 -26.682 1.00 0.00 H new ATOM 0 HA THR A 70 3.301 -19.215 -24.900 1.00 0.00 H new ATOM 0 HB THR A 70 5.599 -18.223 -26.632 1.00 0.00 H new ATOM 0 HG1 THR A 70 5.462 -20.430 -27.488 1.00 0.00 H new ATOM 0 HG21 THR A 70 6.918 -20.064 -25.633 1.00 0.00 H new ATOM 0 HG22 THR A 70 6.397 -18.878 -24.412 1.00 0.00 H new ATOM 0 HG23 THR A 70 5.557 -20.441 -24.550 1.00 0.00 H new ATOM 1065 N ILE A 71 4.133 -17.603 -23.139 1.00 0.00 N ATOM 1066 CA ILE A 71 4.527 -16.664 -22.084 1.00 0.00 C ATOM 1067 C ILE A 71 5.897 -17.091 -21.557 1.00 0.00 C ATOM 1068 O ILE A 71 6.085 -18.249 -21.169 1.00 0.00 O ATOM 1069 CB ILE A 71 3.511 -16.615 -20.877 1.00 0.00 C ATOM 1070 CG1 ILE A 71 2.039 -16.779 -21.357 1.00 0.00 C ATOM 1071 CG2 ILE A 71 3.682 -15.285 -20.095 1.00 0.00 C ATOM 1072 CD1 ILE A 71 1.010 -16.786 -20.247 1.00 0.00 C ATOM 0 H ILE A 71 3.780 -18.493 -22.788 1.00 0.00 H new ATOM 0 HA ILE A 71 4.545 -15.666 -22.522 1.00 0.00 H new ATOM 0 HB ILE A 71 3.734 -17.452 -20.216 1.00 0.00 H new ATOM 0 HG12 ILE A 71 1.804 -15.969 -22.047 1.00 0.00 H new ATOM 0 HG13 ILE A 71 1.955 -17.710 -21.918 1.00 0.00 H new ATOM 0 HG21 ILE A 71 2.978 -15.259 -19.264 1.00 0.00 H new ATOM 0 HG22 ILE A 71 4.700 -15.217 -19.711 1.00 0.00 H new ATOM 0 HG23 ILE A 71 3.489 -14.444 -20.761 1.00 0.00 H new ATOM 0 HD11 ILE A 71 0.014 -16.905 -20.675 1.00 0.00 H new ATOM 0 HD12 ILE A 71 1.214 -17.613 -19.567 1.00 0.00 H new ATOM 0 HD13 ILE A 71 1.060 -15.845 -19.699 1.00 0.00 H new ATOM 1084 N SER A 72 6.846 -16.156 -21.560 1.00 0.00 N ATOM 1085 CA SER A 72 8.219 -16.391 -21.101 1.00 0.00 C ATOM 1086 C SER A 72 8.657 -15.188 -20.269 1.00 0.00 C ATOM 1087 O SER A 72 8.410 -14.054 -20.655 1.00 0.00 O ATOM 1088 CB SER A 72 9.145 -16.607 -22.322 1.00 0.00 C ATOM 1089 OG SER A 72 8.648 -17.647 -23.153 1.00 0.00 O ATOM 0 H SER A 72 6.684 -15.203 -21.884 1.00 0.00 H new ATOM 0 HA SER A 72 8.275 -17.287 -20.483 1.00 0.00 H new ATOM 0 HB2 SER A 72 9.221 -15.683 -22.895 1.00 0.00 H new ATOM 0 HB3 SER A 72 10.150 -16.856 -21.982 1.00 0.00 H new ATOM 0 HG SER A 72 9.321 -17.876 -23.828 1.00 0.00 H new ATOM 1095 N ARG A 73 9.319 -15.441 -19.134 1.00 0.00 N ATOM 1096 CA ARG A 73 9.610 -14.399 -18.132 1.00 0.00 C ATOM 1097 C ARG A 73 10.891 -14.698 -17.342 1.00 0.00 C ATOM 1098 O ARG A 73 11.321 -15.849 -17.228 1.00 0.00 O ATOM 1099 CB ARG A 73 8.383 -14.162 -17.167 1.00 0.00 C ATOM 1100 CG ARG A 73 7.445 -15.365 -16.853 1.00 0.00 C ATOM 1101 CD ARG A 73 8.092 -16.539 -16.081 1.00 0.00 C ATOM 1102 NE ARG A 73 8.912 -17.433 -16.925 1.00 0.00 N ATOM 1103 CZ ARG A 73 8.434 -18.367 -17.773 1.00 0.00 C ATOM 1104 NH1 ARG A 73 7.130 -18.488 -18.006 1.00 0.00 N ATOM 1105 NH2 ARG A 73 9.277 -19.154 -18.418 1.00 0.00 N ATOM 0 H ARG A 73 9.668 -16.366 -18.882 1.00 0.00 H new ATOM 0 HA ARG A 73 9.782 -13.474 -18.682 1.00 0.00 H new ATOM 0 HB2 ARG A 73 8.773 -13.789 -16.220 1.00 0.00 H new ATOM 0 HB3 ARG A 73 7.772 -13.368 -17.596 1.00 0.00 H new ATOM 0 HG2 ARG A 73 6.596 -14.999 -16.275 1.00 0.00 H new ATOM 0 HG3 ARG A 73 7.049 -15.748 -17.794 1.00 0.00 H new ATOM 0 HD2 ARG A 73 8.716 -16.136 -15.283 1.00 0.00 H new ATOM 0 HD3 ARG A 73 7.306 -17.125 -15.606 1.00 0.00 H new ATOM 0 HE ARG A 73 9.925 -17.336 -16.861 1.00 0.00 H new ATOM 0 HH11 ARG A 73 6.469 -17.867 -17.539 1.00 0.00 H new ATOM 0 HH12 ARG A 73 6.791 -19.202 -18.651 1.00 0.00 H new ATOM 0 HH21 ARG A 73 10.282 -19.053 -18.273 1.00 0.00 H new ATOM 0 HH22 ARG A 73 8.923 -19.863 -19.061 1.00 0.00 H new ATOM 1119 N ASP A 74 11.510 -13.619 -16.852 1.00 0.00 N ATOM 1120 CA ASP A 74 12.630 -13.667 -15.918 1.00 0.00 C ATOM 1121 C ASP A 74 12.111 -13.244 -14.538 1.00 0.00 C ATOM 1122 O ASP A 74 11.753 -12.078 -14.333 1.00 0.00 O ATOM 1123 CB ASP A 74 13.766 -12.729 -16.392 1.00 0.00 C ATOM 1124 CG ASP A 74 15.059 -12.896 -15.568 1.00 0.00 C ATOM 1125 OD1 ASP A 74 15.975 -13.624 -16.009 1.00 0.00 O ATOM 1126 OD2 ASP A 74 15.152 -12.333 -14.459 1.00 0.00 O ATOM 0 H ASP A 74 11.237 -12.669 -17.102 1.00 0.00 H new ATOM 0 HA ASP A 74 13.040 -14.676 -15.867 1.00 0.00 H new ATOM 0 HB2 ASP A 74 13.981 -12.927 -17.442 1.00 0.00 H new ATOM 0 HB3 ASP A 74 13.429 -11.695 -16.326 1.00 0.00 H new ATOM 1131 N ASN A 75 12.068 -14.200 -13.608 1.00 0.00 N ATOM 1132 CA ASN A 75 11.472 -14.007 -12.277 1.00 0.00 C ATOM 1133 C ASN A 75 12.328 -13.072 -11.385 1.00 0.00 C ATOM 1134 O ASN A 75 11.789 -12.360 -10.537 1.00 0.00 O ATOM 1135 CB ASN A 75 11.283 -15.388 -11.598 1.00 0.00 C ATOM 1136 CG ASN A 75 10.504 -15.333 -10.283 1.00 0.00 C ATOM 1137 OD1 ASN A 75 9.594 -14.527 -10.118 1.00 0.00 O ATOM 1138 ND2 ASN A 75 10.860 -16.195 -9.341 1.00 0.00 N ATOM 0 H ASN A 75 12.447 -15.136 -13.754 1.00 0.00 H new ATOM 0 HA ASN A 75 10.504 -13.522 -12.403 1.00 0.00 H new ATOM 0 HB2 ASN A 75 10.764 -16.053 -12.288 1.00 0.00 H new ATOM 0 HB3 ASN A 75 12.263 -15.826 -11.410 1.00 0.00 H new ATOM 0 HD21 ASN A 75 10.372 -16.202 -8.445 1.00 0.00 H new ATOM 0 HD22 ASN A 75 11.622 -16.852 -9.512 1.00 0.00 H new ATOM 1145 N ALA A 76 13.657 -13.073 -11.596 1.00 0.00 N ATOM 1146 CA ALA A 76 14.607 -12.282 -10.776 1.00 0.00 C ATOM 1147 C ALA A 76 14.547 -10.776 -11.120 1.00 0.00 C ATOM 1148 O ALA A 76 14.771 -9.921 -10.258 1.00 0.00 O ATOM 1149 CB ALA A 76 16.031 -12.826 -10.952 1.00 0.00 C ATOM 0 H ALA A 76 14.105 -13.617 -12.333 1.00 0.00 H new ATOM 0 HA ALA A 76 14.315 -12.383 -9.731 1.00 0.00 H new ATOM 0 HB1 ALA A 76 16.722 -12.239 -10.347 1.00 0.00 H new ATOM 0 HB2 ALA A 76 16.064 -13.868 -10.634 1.00 0.00 H new ATOM 0 HB3 ALA A 76 16.320 -12.757 -12.001 1.00 0.00 H new ATOM 1155 N LYS A 77 14.254 -10.469 -12.391 1.00 0.00 N ATOM 1156 CA LYS A 77 14.079 -9.080 -12.873 1.00 0.00 C ATOM 1157 C LYS A 77 12.600 -8.686 -12.901 1.00 0.00 C ATOM 1158 O LYS A 77 12.276 -7.526 -13.189 1.00 0.00 O ATOM 1159 CB LYS A 77 14.717 -8.903 -14.278 1.00 0.00 C ATOM 1160 CG LYS A 77 16.257 -9.054 -14.302 1.00 0.00 C ATOM 1161 CD LYS A 77 16.965 -8.066 -13.346 1.00 0.00 C ATOM 1162 CE LYS A 77 18.495 -8.178 -13.389 1.00 0.00 C ATOM 1163 NZ LYS A 77 19.143 -7.240 -12.439 1.00 0.00 N ATOM 0 H LYS A 77 14.130 -11.172 -13.119 1.00 0.00 H new ATOM 0 HA LYS A 77 14.590 -8.417 -12.175 1.00 0.00 H new ATOM 0 HB2 LYS A 77 14.281 -9.636 -14.957 1.00 0.00 H new ATOM 0 HB3 LYS A 77 14.454 -7.917 -14.662 1.00 0.00 H new ATOM 0 HG2 LYS A 77 16.523 -10.075 -14.026 1.00 0.00 H new ATOM 0 HG3 LYS A 77 16.619 -8.894 -15.318 1.00 0.00 H new ATOM 0 HD2 LYS A 77 16.674 -7.048 -13.605 1.00 0.00 H new ATOM 0 HD3 LYS A 77 16.622 -8.247 -12.327 1.00 0.00 H new ATOM 0 HE2 LYS A 77 18.792 -9.199 -13.151 1.00 0.00 H new ATOM 0 HE3 LYS A 77 18.846 -7.972 -14.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 20.176 -7.345 -12.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 18.880 -6.263 -12.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 18.827 -7.453 -11.471 1.00 0.00 H new ATOM 1177 N ASN A 78 11.717 -9.676 -12.620 1.00 0.00 N ATOM 1178 CA ASN A 78 10.255 -9.482 -12.529 1.00 0.00 C ATOM 1179 C ASN A 78 9.685 -8.992 -13.889 1.00 0.00 C ATOM 1180 O ASN A 78 8.682 -8.284 -13.949 1.00 0.00 O ATOM 1181 CB ASN A 78 9.893 -8.503 -11.350 1.00 0.00 C ATOM 1182 CG ASN A 78 10.223 -9.017 -9.929 1.00 0.00 C ATOM 1183 OD1 ASN A 78 9.493 -8.736 -8.968 1.00 0.00 O ATOM 1184 ND2 ASN A 78 11.327 -9.737 -9.757 1.00 0.00 N ATOM 0 H ASN A 78 12.006 -10.639 -12.449 1.00 0.00 H new ATOM 0 HA ASN A 78 9.788 -10.441 -12.305 1.00 0.00 H new ATOM 0 HB2 ASN A 78 10.420 -7.562 -11.508 1.00 0.00 H new ATOM 0 HB3 ASN A 78 8.827 -8.283 -11.399 1.00 0.00 H new ATOM 0 HD21 ASN A 78 11.582 -10.065 -8.825 1.00 0.00 H new ATOM 0 HD22 ASN A 78 11.919 -9.961 -10.557 1.00 0.00 H new ATOM 1191 N THR A 79 10.333 -9.423 -14.987 1.00 0.00 N ATOM 1192 CA THR A 79 10.032 -8.965 -16.351 1.00 0.00 C ATOM 1193 C THR A 79 9.431 -10.120 -17.169 1.00 0.00 C ATOM 1194 O THR A 79 9.960 -11.224 -17.154 1.00 0.00 O ATOM 1195 CB THR A 79 11.332 -8.437 -17.049 1.00 0.00 C ATOM 1196 OG1 THR A 79 11.952 -7.424 -16.235 1.00 0.00 O ATOM 1197 CG2 THR A 79 11.047 -7.865 -18.450 1.00 0.00 C ATOM 0 H THR A 79 11.089 -10.107 -14.949 1.00 0.00 H new ATOM 0 HA THR A 79 9.310 -8.150 -16.295 1.00 0.00 H new ATOM 0 HB THR A 79 12.004 -9.287 -17.165 1.00 0.00 H new ATOM 0 HG1 THR A 79 12.070 -7.764 -15.323 1.00 0.00 H new ATOM 0 HG21 THR A 79 11.977 -7.511 -18.895 1.00 0.00 H new ATOM 0 HG22 THR A 79 10.616 -8.643 -19.080 1.00 0.00 H new ATOM 0 HG23 THR A 79 10.345 -7.035 -18.368 1.00 0.00 H new ATOM 1205 N VAL A 80 8.322 -9.844 -17.871 1.00 0.00 N ATOM 1206 CA VAL A 80 7.599 -10.820 -18.698 1.00 0.00 C ATOM 1207 C VAL A 80 7.680 -10.421 -20.189 1.00 0.00 C ATOM 1208 O VAL A 80 7.886 -9.257 -20.518 1.00 0.00 O ATOM 1209 CB VAL A 80 6.088 -10.921 -18.250 1.00 0.00 C ATOM 1210 CG1 VAL A 80 5.341 -12.048 -19.009 1.00 0.00 C ATOM 1211 CG2 VAL A 80 5.971 -11.119 -16.715 1.00 0.00 C ATOM 0 H VAL A 80 7.895 -8.918 -17.880 1.00 0.00 H new ATOM 0 HA VAL A 80 8.067 -11.795 -18.564 1.00 0.00 H new ATOM 0 HB VAL A 80 5.610 -9.976 -18.508 1.00 0.00 H new ATOM 0 HG11 VAL A 80 4.304 -12.087 -18.674 1.00 0.00 H new ATOM 0 HG12 VAL A 80 5.369 -11.846 -20.080 1.00 0.00 H new ATOM 0 HG13 VAL A 80 5.824 -13.004 -18.807 1.00 0.00 H new ATOM 0 HG21 VAL A 80 4.919 -11.185 -16.436 1.00 0.00 H new ATOM 0 HG22 VAL A 80 6.481 -12.038 -16.427 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.430 -10.273 -16.203 1.00 0.00 H new ATOM 1221 N TYR A 81 7.560 -11.423 -21.068 1.00 0.00 N ATOM 1222 CA TYR A 81 7.469 -11.264 -22.527 1.00 0.00 C ATOM 1223 C TYR A 81 6.338 -12.174 -23.036 1.00 0.00 C ATOM 1224 O TYR A 81 6.125 -13.266 -22.484 1.00 0.00 O ATOM 1225 CB TYR A 81 8.807 -11.637 -23.226 1.00 0.00 C ATOM 1226 CG TYR A 81 10.003 -10.764 -22.808 1.00 0.00 C ATOM 1227 CD1 TYR A 81 10.734 -11.051 -21.650 1.00 0.00 C ATOM 1228 CD2 TYR A 81 10.388 -9.644 -23.555 1.00 0.00 C ATOM 1229 CE1 TYR A 81 11.788 -10.257 -21.251 1.00 0.00 C ATOM 1230 CE2 TYR A 81 11.453 -8.850 -23.157 1.00 0.00 C ATOM 1231 CZ TYR A 81 12.147 -9.160 -22.006 1.00 0.00 C ATOM 1232 OH TYR A 81 13.195 -8.364 -21.598 1.00 0.00 O ATOM 0 H TYR A 81 7.522 -12.399 -20.775 1.00 0.00 H new ATOM 0 HA TYR A 81 7.261 -10.220 -22.762 1.00 0.00 H new ATOM 0 HB2 TYR A 81 9.039 -12.680 -23.008 1.00 0.00 H new ATOM 0 HB3 TYR A 81 8.674 -11.559 -24.305 1.00 0.00 H new ATOM 0 HD1 TYR A 81 10.467 -11.913 -21.056 1.00 0.00 H new ATOM 0 HD2 TYR A 81 9.847 -9.394 -24.456 1.00 0.00 H new ATOM 0 HE1 TYR A 81 12.332 -10.494 -20.348 1.00 0.00 H new ATOM 0 HE2 TYR A 81 11.738 -7.991 -23.747 1.00 0.00 H new ATOM 0 HH TYR A 81 13.321 -7.634 -22.240 1.00 0.00 H new ATOM 1242 N LEU A 82 5.614 -11.734 -24.075 1.00 0.00 N ATOM 1243 CA LEU A 82 4.507 -12.512 -24.658 1.00 0.00 C ATOM 1244 C LEU A 82 4.739 -12.659 -26.167 1.00 0.00 C ATOM 1245 O LEU A 82 4.610 -11.694 -26.923 1.00 0.00 O ATOM 1246 CB LEU A 82 3.132 -11.834 -24.339 1.00 0.00 C ATOM 1247 CG LEU A 82 1.843 -12.730 -24.425 1.00 0.00 C ATOM 1248 CD1 LEU A 82 1.429 -13.062 -25.863 1.00 0.00 C ATOM 1249 CD2 LEU A 82 2.011 -14.018 -23.610 1.00 0.00 C ATOM 0 H LEU A 82 5.776 -10.837 -24.533 1.00 0.00 H new ATOM 0 HA LEU A 82 4.479 -13.508 -24.216 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.187 -11.420 -23.332 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.004 -10.995 -25.023 1.00 0.00 H new ATOM 0 HG LEU A 82 1.037 -12.135 -23.995 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.533 -13.683 -25.850 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.223 -12.139 -26.405 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.236 -13.601 -26.359 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.105 -14.618 -23.687 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.857 -14.586 -23.997 1.00 0.00 H new ATOM 0 HD23 LEU A 82 2.191 -13.766 -22.565 1.00 0.00 H new ATOM 1261 N GLN A 83 5.103 -13.877 -26.577 1.00 0.00 N ATOM 1262 CA GLN A 83 5.313 -14.241 -27.977 1.00 0.00 C ATOM 1263 C GLN A 83 3.961 -14.563 -28.634 1.00 0.00 C ATOM 1264 O GLN A 83 3.393 -15.629 -28.401 1.00 0.00 O ATOM 1265 CB GLN A 83 6.262 -15.466 -28.043 1.00 0.00 C ATOM 1266 CG GLN A 83 7.626 -15.247 -27.357 1.00 0.00 C ATOM 1267 CD GLN A 83 8.463 -16.524 -27.270 1.00 0.00 C ATOM 1268 OE1 GLN A 83 9.210 -16.846 -28.188 1.00 0.00 O ATOM 1269 NE2 GLN A 83 8.341 -17.254 -26.169 1.00 0.00 N ATOM 0 H GLN A 83 5.262 -14.651 -25.932 1.00 0.00 H new ATOM 0 HA GLN A 83 5.768 -13.411 -28.517 1.00 0.00 H new ATOM 0 HB2 GLN A 83 5.768 -16.320 -27.579 1.00 0.00 H new ATOM 0 HB3 GLN A 83 6.431 -15.725 -29.088 1.00 0.00 H new ATOM 0 HG2 GLN A 83 8.185 -14.489 -27.906 1.00 0.00 H new ATOM 0 HG3 GLN A 83 7.463 -14.857 -26.352 1.00 0.00 H new ATOM 0 HE21 GLN A 83 7.710 -16.955 -25.426 1.00 0.00 H new ATOM 0 HE22 GLN A 83 8.879 -18.115 -26.066 1.00 0.00 H new ATOM 1278 N MET A 84 3.430 -13.610 -29.409 1.00 0.00 N ATOM 1279 CA MET A 84 2.201 -13.803 -30.200 1.00 0.00 C ATOM 1280 C MET A 84 2.552 -14.338 -31.580 1.00 0.00 C ATOM 1281 O MET A 84 3.597 -13.996 -32.129 1.00 0.00 O ATOM 1282 CB MET A 84 1.413 -12.477 -30.362 1.00 0.00 C ATOM 1283 CG MET A 84 0.915 -11.884 -29.057 1.00 0.00 C ATOM 1284 SD MET A 84 -0.081 -10.401 -29.282 1.00 0.00 S ATOM 1285 CE MET A 84 -0.547 -10.074 -27.588 1.00 0.00 C ATOM 0 H MET A 84 3.838 -12.681 -29.508 1.00 0.00 H new ATOM 0 HA MET A 84 1.575 -14.517 -29.665 1.00 0.00 H new ATOM 0 HB2 MET A 84 2.051 -11.747 -30.859 1.00 0.00 H new ATOM 0 HB3 MET A 84 0.560 -12.653 -31.017 1.00 0.00 H new ATOM 0 HG2 MET A 84 0.325 -12.632 -28.528 1.00 0.00 H new ATOM 0 HG3 MET A 84 1.770 -11.646 -28.424 1.00 0.00 H new ATOM 0 HE1 MET A 84 -1.034 -9.101 -27.526 1.00 0.00 H new ATOM 0 HE2 MET A 84 -1.235 -10.846 -27.244 1.00 0.00 H new ATOM 0 HE3 MET A 84 0.343 -10.075 -26.959 1.00 0.00 H new ATOM 1295 N ASN A 85 1.676 -15.197 -32.109 1.00 0.00 N ATOM 1296 CA ASN A 85 1.717 -15.682 -33.503 1.00 0.00 C ATOM 1297 C ASN A 85 0.265 -15.872 -33.970 1.00 0.00 C ATOM 1298 O ASN A 85 -0.621 -16.093 -33.132 1.00 0.00 O ATOM 1299 CB ASN A 85 2.494 -17.030 -33.636 1.00 0.00 C ATOM 1300 CG ASN A 85 3.975 -16.952 -33.240 1.00 0.00 C ATOM 1301 OD1 ASN A 85 4.841 -16.715 -34.075 1.00 0.00 O ATOM 1302 ND2 ASN A 85 4.273 -17.135 -31.960 1.00 0.00 N ATOM 0 H ASN A 85 0.900 -15.586 -31.574 1.00 0.00 H new ATOM 0 HA ASN A 85 2.243 -14.952 -34.118 1.00 0.00 H new ATOM 0 HB2 ASN A 85 2.004 -17.780 -33.015 1.00 0.00 H new ATOM 0 HB3 ASN A 85 2.424 -17.375 -34.668 1.00 0.00 H new ATOM 0 HD21 ASN A 85 5.243 -17.080 -31.649 1.00 0.00 H new ATOM 0 HD22 ASN A 85 3.532 -17.331 -31.287 1.00 0.00 H new ATOM 1309 N SER A 86 0.024 -15.757 -35.292 1.00 0.00 N ATOM 1310 CA SER A 86 -1.290 -16.048 -35.920 1.00 0.00 C ATOM 1311 C SER A 86 -2.421 -15.166 -35.340 1.00 0.00 C ATOM 1312 O SER A 86 -3.516 -15.653 -35.017 1.00 0.00 O ATOM 1313 CB SER A 86 -1.619 -17.560 -35.798 1.00 0.00 C ATOM 1314 OG SER A 86 -0.599 -18.346 -36.386 1.00 0.00 O ATOM 0 H SER A 86 0.735 -15.459 -35.960 1.00 0.00 H new ATOM 0 HA SER A 86 -1.220 -15.797 -36.978 1.00 0.00 H new ATOM 0 HB2 SER A 86 -1.731 -17.829 -34.748 1.00 0.00 H new ATOM 0 HB3 SER A 86 -2.572 -17.770 -36.284 1.00 0.00 H new ATOM 0 HG SER A 86 -0.825 -19.295 -36.297 1.00 0.00 H new ATOM 1320 N LEU A 87 -2.126 -13.866 -35.226 1.00 0.00 N ATOM 1321 CA LEU A 87 -3.074 -12.861 -34.715 1.00 0.00 C ATOM 1322 C LEU A 87 -4.248 -12.676 -35.695 1.00 0.00 C ATOM 1323 O LEU A 87 -4.030 -12.453 -36.884 1.00 0.00 O ATOM 1324 CB LEU A 87 -2.330 -11.516 -34.494 1.00 0.00 C ATOM 1325 CG LEU A 87 -1.247 -11.522 -33.372 1.00 0.00 C ATOM 1326 CD1 LEU A 87 -0.389 -10.244 -33.398 1.00 0.00 C ATOM 1327 CD2 LEU A 87 -1.904 -11.716 -31.990 1.00 0.00 C ATOM 0 H LEU A 87 -1.220 -13.477 -35.486 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.482 -13.205 -33.764 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -1.855 -11.226 -35.431 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.067 -10.748 -34.259 1.00 0.00 H new ATOM 0 HG LEU A 87 -0.579 -12.362 -33.561 1.00 0.00 H new ATOM 0 HD11 LEU A 87 0.353 -10.288 -32.601 1.00 0.00 H new ATOM 0 HD12 LEU A 87 0.116 -10.165 -34.360 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -1.028 -9.373 -33.251 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -1.134 -11.718 -31.218 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.604 -10.902 -31.802 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.439 -12.666 -31.971 1.00 0.00 H new ATOM 1339 N LYS A 88 -5.486 -12.807 -35.195 1.00 0.00 N ATOM 1340 CA LYS A 88 -6.706 -12.508 -35.975 1.00 0.00 C ATOM 1341 C LYS A 88 -6.929 -10.980 -35.979 1.00 0.00 C ATOM 1342 O LYS A 88 -6.457 -10.314 -35.071 1.00 0.00 O ATOM 1343 CB LYS A 88 -7.932 -13.226 -35.349 1.00 0.00 C ATOM 1344 CG LYS A 88 -7.843 -14.763 -35.313 1.00 0.00 C ATOM 1345 CD LYS A 88 -9.091 -15.389 -34.650 1.00 0.00 C ATOM 1346 CE LYS A 88 -9.096 -16.921 -34.706 1.00 0.00 C ATOM 1347 NZ LYS A 88 -10.339 -17.479 -34.121 1.00 0.00 N ATOM 0 H LYS A 88 -5.674 -13.122 -34.243 1.00 0.00 H new ATOM 0 HA LYS A 88 -6.586 -12.866 -36.998 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -8.065 -12.862 -34.330 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -8.824 -12.943 -35.908 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -7.739 -15.146 -36.328 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -6.950 -15.064 -34.765 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -9.141 -15.069 -33.609 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -9.986 -15.010 -35.144 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -9.000 -17.249 -35.741 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -8.232 -17.309 -34.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -10.312 -18.517 -34.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -10.417 -17.185 -33.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -11.161 -17.127 -34.652 1.00 0.00 H new ATOM 1361 N PRO A 89 -7.654 -10.393 -36.990 1.00 0.00 N ATOM 1362 CA PRO A 89 -7.936 -8.926 -37.026 1.00 0.00 C ATOM 1363 C PRO A 89 -8.717 -8.414 -35.786 1.00 0.00 C ATOM 1364 O PRO A 89 -8.682 -7.218 -35.472 1.00 0.00 O ATOM 1365 CB PRO A 89 -8.765 -8.748 -38.328 1.00 0.00 C ATOM 1366 CG PRO A 89 -9.293 -10.114 -38.646 1.00 0.00 C ATOM 1367 CD PRO A 89 -8.232 -11.080 -38.177 1.00 0.00 C ATOM 0 HA PRO A 89 -7.015 -8.343 -37.010 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -9.577 -8.035 -38.184 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -8.146 -8.366 -39.140 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -10.240 -10.296 -38.138 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -9.478 -10.224 -39.715 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -8.656 -12.049 -37.915 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -7.480 -11.258 -38.946 1.00 0.00 H new ATOM 1375 N GLU A 90 -9.417 -9.336 -35.094 1.00 0.00 N ATOM 1376 CA GLU A 90 -10.199 -9.020 -33.880 1.00 0.00 C ATOM 1377 C GLU A 90 -9.294 -8.851 -32.639 1.00 0.00 C ATOM 1378 O GLU A 90 -9.718 -8.262 -31.640 1.00 0.00 O ATOM 1379 CB GLU A 90 -11.257 -10.125 -33.632 1.00 0.00 C ATOM 1380 CG GLU A 90 -10.669 -11.515 -33.303 1.00 0.00 C ATOM 1381 CD GLU A 90 -11.738 -12.594 -33.089 1.00 0.00 C ATOM 1382 OE1 GLU A 90 -12.366 -12.615 -32.009 1.00 0.00 O ATOM 1383 OE2 GLU A 90 -11.960 -13.423 -33.999 1.00 0.00 O ATOM 0 H GLU A 90 -9.456 -10.320 -35.360 1.00 0.00 H new ATOM 0 HA GLU A 90 -10.702 -8.067 -34.045 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -11.902 -9.814 -32.810 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -11.887 -10.212 -34.517 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -10.009 -11.823 -34.114 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -10.056 -11.439 -32.405 1.00 0.00 H new ATOM 1390 N ASP A 91 -8.046 -9.370 -32.717 1.00 0.00 N ATOM 1391 CA ASP A 91 -7.046 -9.263 -31.619 1.00 0.00 C ATOM 1392 C ASP A 91 -6.594 -7.791 -31.405 1.00 0.00 C ATOM 1393 O ASP A 91 -5.885 -7.497 -30.431 1.00 0.00 O ATOM 1394 CB ASP A 91 -5.806 -10.180 -31.899 1.00 0.00 C ATOM 1395 CG ASP A 91 -6.110 -11.691 -32.028 1.00 0.00 C ATOM 1396 OD1 ASP A 91 -5.200 -12.523 -31.784 1.00 0.00 O ATOM 1397 OD2 ASP A 91 -7.252 -12.070 -32.358 1.00 0.00 O ATOM 0 H ASP A 91 -7.702 -9.872 -33.535 1.00 0.00 H new ATOM 0 HA ASP A 91 -7.529 -9.604 -30.703 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -5.328 -9.844 -32.819 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -5.084 -10.040 -31.095 1.00 0.00 H new ATOM 1402 N THR A 92 -6.987 -6.888 -32.346 1.00 0.00 N ATOM 1403 CA THR A 92 -6.820 -5.430 -32.211 1.00 0.00 C ATOM 1404 C THR A 92 -7.502 -4.943 -30.914 1.00 0.00 C ATOM 1405 O THR A 92 -8.734 -4.805 -30.854 1.00 0.00 O ATOM 1406 CB THR A 92 -7.414 -4.674 -33.449 1.00 0.00 C ATOM 1407 OG1 THR A 92 -6.753 -5.107 -34.643 1.00 0.00 O ATOM 1408 CG2 THR A 92 -7.274 -3.145 -33.334 1.00 0.00 C ATOM 0 H THR A 92 -7.431 -7.163 -33.222 1.00 0.00 H new ATOM 0 HA THR A 92 -5.753 -5.211 -32.164 1.00 0.00 H new ATOM 0 HB THR A 92 -8.477 -4.912 -33.484 1.00 0.00 H new ATOM 0 HG1 THR A 92 -7.257 -5.844 -35.047 1.00 0.00 H new ATOM 0 HG21 THR A 92 -7.702 -2.673 -34.218 1.00 0.00 H new ATOM 0 HG22 THR A 92 -7.801 -2.797 -32.446 1.00 0.00 H new ATOM 0 HG23 THR A 92 -6.219 -2.881 -33.256 1.00 0.00 H new ATOM 1416 N ALA A 93 -6.671 -4.721 -29.892 1.00 0.00 N ATOM 1417 CA ALA A 93 -7.112 -4.425 -28.528 1.00 0.00 C ATOM 1418 C ALA A 93 -5.897 -4.061 -27.674 1.00 0.00 C ATOM 1419 O ALA A 93 -4.753 -4.340 -28.057 1.00 0.00 O ATOM 1420 CB ALA A 93 -7.852 -5.639 -27.920 1.00 0.00 C ATOM 0 H ALA A 93 -5.656 -4.742 -29.992 1.00 0.00 H new ATOM 0 HA ALA A 93 -7.805 -3.584 -28.550 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -8.172 -5.400 -26.906 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -8.724 -5.876 -28.529 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -7.182 -6.499 -27.896 1.00 0.00 H new ATOM 1426 N VAL A 94 -6.143 -3.428 -26.524 1.00 0.00 N ATOM 1427 CA VAL A 94 -5.097 -3.205 -25.529 1.00 0.00 C ATOM 1428 C VAL A 94 -4.993 -4.448 -24.619 1.00 0.00 C ATOM 1429 O VAL A 94 -5.973 -4.866 -23.988 1.00 0.00 O ATOM 1430 CB VAL A 94 -5.311 -1.862 -24.713 1.00 0.00 C ATOM 1431 CG1 VAL A 94 -6.678 -1.790 -24.007 1.00 0.00 C ATOM 1432 CG2 VAL A 94 -4.157 -1.628 -23.714 1.00 0.00 C ATOM 0 H VAL A 94 -7.058 -3.062 -26.261 1.00 0.00 H new ATOM 0 HA VAL A 94 -4.145 -3.070 -26.043 1.00 0.00 H new ATOM 0 HB VAL A 94 -5.304 -1.056 -25.447 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -6.760 -0.846 -23.467 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -7.474 -1.854 -24.749 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -6.769 -2.619 -23.305 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -4.330 -0.700 -23.169 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -4.111 -2.459 -23.010 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -3.214 -1.559 -24.257 1.00 0.00 H new ATOM 1442 N TYR A 95 -3.810 -5.082 -24.646 1.00 0.00 N ATOM 1443 CA TYR A 95 -3.475 -6.211 -23.773 1.00 0.00 C ATOM 1444 C TYR A 95 -2.920 -5.667 -22.460 1.00 0.00 C ATOM 1445 O TYR A 95 -1.869 -5.020 -22.438 1.00 0.00 O ATOM 1446 CB TYR A 95 -2.440 -7.156 -24.442 1.00 0.00 C ATOM 1447 CG TYR A 95 -3.046 -8.146 -25.444 1.00 0.00 C ATOM 1448 CD1 TYR A 95 -3.435 -7.741 -26.725 1.00 0.00 C ATOM 1449 CD2 TYR A 95 -3.221 -9.494 -25.105 1.00 0.00 C ATOM 1450 CE1 TYR A 95 -3.959 -8.647 -27.630 1.00 0.00 C ATOM 1451 CE2 TYR A 95 -3.747 -10.396 -26.008 1.00 0.00 C ATOM 1452 CZ TYR A 95 -4.115 -9.970 -27.264 1.00 0.00 C ATOM 1453 OH TYR A 95 -4.613 -10.873 -28.167 1.00 0.00 O ATOM 0 H TYR A 95 -3.055 -4.821 -25.280 1.00 0.00 H new ATOM 0 HA TYR A 95 -4.377 -6.794 -23.587 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -1.691 -6.552 -24.954 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -1.921 -7.716 -23.664 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -3.325 -6.706 -27.012 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -2.939 -9.834 -24.119 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -4.245 -8.321 -28.619 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -3.869 -11.432 -25.730 1.00 0.00 H new ATOM 0 HH TYR A 95 -3.953 -11.581 -28.320 1.00 0.00 H new ATOM 1463 N ASN A 96 -3.649 -5.926 -21.377 1.00 0.00 N ATOM 1464 CA ASN A 96 -3.270 -5.493 -20.039 1.00 0.00 C ATOM 1465 C ASN A 96 -2.675 -6.685 -19.290 1.00 0.00 C ATOM 1466 O ASN A 96 -3.239 -7.789 -19.293 1.00 0.00 O ATOM 1467 CB ASN A 96 -4.505 -4.934 -19.287 1.00 0.00 C ATOM 1468 CG ASN A 96 -4.197 -4.349 -17.899 1.00 0.00 C ATOM 1469 OD1 ASN A 96 -4.995 -4.474 -16.973 1.00 0.00 O ATOM 1470 ND2 ASN A 96 -3.066 -3.672 -17.747 1.00 0.00 N ATOM 0 H ASN A 96 -4.526 -6.446 -21.406 1.00 0.00 H new ATOM 0 HA ASN A 96 -2.528 -4.697 -20.102 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -4.967 -4.159 -19.899 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -5.239 -5.732 -19.176 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -2.845 -3.243 -16.848 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -2.417 -3.580 -18.529 1.00 0.00 H new ATOM 1477 N CYS A 97 -1.526 -6.439 -18.676 1.00 0.00 N ATOM 1478 CA CYS A 97 -0.843 -7.389 -17.814 1.00 0.00 C ATOM 1479 C CYS A 97 -1.465 -7.270 -16.421 1.00 0.00 C ATOM 1480 O CYS A 97 -1.300 -6.255 -15.738 1.00 0.00 O ATOM 1481 CB CYS A 97 0.666 -7.057 -17.786 1.00 0.00 C ATOM 1482 SG CYS A 97 1.659 -8.045 -16.654 1.00 0.00 S ATOM 0 H CYS A 97 -1.032 -5.551 -18.767 1.00 0.00 H new ATOM 0 HA CYS A 97 -0.951 -8.411 -18.176 1.00 0.00 H new ATOM 0 HB2 CYS A 97 1.065 -7.179 -18.793 1.00 0.00 H new ATOM 0 HB3 CYS A 97 0.784 -6.006 -17.522 1.00 0.00 H new ATOM 0 HG CYS A 97 2.011 -9.152 -17.238 1.00 0.00 H new ATOM 1488 N ALA A 98 -2.254 -8.279 -16.059 1.00 0.00 N ATOM 1489 CA ALA A 98 -2.960 -8.339 -14.783 1.00 0.00 C ATOM 1490 C ALA A 98 -2.250 -9.346 -13.873 1.00 0.00 C ATOM 1491 O ALA A 98 -2.261 -10.554 -14.134 1.00 0.00 O ATOM 1492 CB ALA A 98 -4.424 -8.734 -15.033 1.00 0.00 C ATOM 0 H ALA A 98 -2.423 -9.090 -16.654 1.00 0.00 H new ATOM 0 HA ALA A 98 -2.954 -7.367 -14.290 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -4.956 -8.780 -14.083 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -4.896 -7.992 -15.677 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -4.460 -9.710 -15.517 1.00 0.00 H new ATOM 1498 N ALA A 99 -1.639 -8.832 -12.803 1.00 0.00 N ATOM 1499 CA ALA A 99 -0.852 -9.626 -11.853 1.00 0.00 C ATOM 1500 C ALA A 99 -1.605 -9.770 -10.528 1.00 0.00 C ATOM 1501 O ALA A 99 -2.634 -9.123 -10.297 1.00 0.00 O ATOM 1502 CB ALA A 99 0.534 -8.990 -11.645 1.00 0.00 C ATOM 0 H ALA A 99 -1.677 -7.840 -12.568 1.00 0.00 H new ATOM 0 HA ALA A 99 -0.704 -10.625 -12.263 1.00 0.00 H new ATOM 0 HB1 ALA A 99 1.107 -9.590 -10.938 1.00 0.00 H new ATOM 0 HB2 ALA A 99 1.062 -8.949 -12.598 1.00 0.00 H new ATOM 0 HB3 ALA A 99 0.416 -7.980 -11.252 1.00 0.00 H new ATOM 1508 N GLY A 100 -1.095 -10.652 -9.682 1.00 0.00 N ATOM 1509 CA GLY A 100 -1.712 -10.976 -8.409 1.00 0.00 C ATOM 1510 C GLY A 100 -1.654 -12.459 -8.153 1.00 0.00 C ATOM 1511 O GLY A 100 -1.247 -13.234 -9.028 1.00 0.00 O ATOM 0 H GLY A 100 -0.233 -11.167 -9.863 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -1.203 -10.443 -7.606 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -2.749 -10.641 -8.406 1.00 0.00 H new ATOM 1664 N ASP A 111 -5.115 -8.450 -8.244 1.00 0.00 N ATOM 1665 CA ASP A 111 -4.547 -7.620 -7.160 1.00 0.00 C ATOM 1666 C ASP A 111 -3.848 -6.392 -7.751 1.00 0.00 C ATOM 1667 O ASP A 111 -3.929 -5.286 -7.201 1.00 0.00 O ATOM 1668 CB ASP A 111 -3.548 -8.430 -6.291 1.00 0.00 C ATOM 1669 CG ASP A 111 -4.212 -9.588 -5.529 1.00 0.00 C ATOM 1670 OD1 ASP A 111 -5.034 -9.317 -4.624 1.00 0.00 O ATOM 1671 OD2 ASP A 111 -3.921 -10.769 -5.823 1.00 0.00 O ATOM 0 HA ASP A 111 -5.368 -7.297 -6.519 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -2.760 -8.828 -6.930 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -3.071 -7.759 -5.577 1.00 0.00 H new ATOM 1676 N TYR A 112 -3.173 -6.612 -8.886 1.00 0.00 N ATOM 1677 CA TYR A 112 -2.398 -5.585 -9.595 1.00 0.00 C ATOM 1678 C TYR A 112 -2.727 -5.650 -11.092 1.00 0.00 C ATOM 1679 O TYR A 112 -3.108 -6.700 -11.605 1.00 0.00 O ATOM 1680 CB TYR A 112 -0.879 -5.818 -9.380 1.00 0.00 C ATOM 1681 CG TYR A 112 -0.483 -6.022 -7.910 1.00 0.00 C ATOM 1682 CD1 TYR A 112 -0.540 -4.968 -6.993 1.00 0.00 C ATOM 1683 CD2 TYR A 112 -0.054 -7.265 -7.442 1.00 0.00 C ATOM 1684 CE1 TYR A 112 -0.190 -5.150 -5.669 1.00 0.00 C ATOM 1685 CE2 TYR A 112 0.296 -7.448 -6.122 1.00 0.00 C ATOM 1686 CZ TYR A 112 0.227 -6.391 -5.236 1.00 0.00 C ATOM 1687 OH TYR A 112 0.585 -6.577 -3.915 1.00 0.00 O ATOM 0 H TYR A 112 -3.149 -7.523 -9.345 1.00 0.00 H new ATOM 0 HA TYR A 112 -2.659 -4.602 -9.204 1.00 0.00 H new ATOM 0 HB2 TYR A 112 -0.571 -6.692 -9.954 1.00 0.00 H new ATOM 0 HB3 TYR A 112 -0.330 -4.965 -9.779 1.00 0.00 H new ATOM 0 HD1 TYR A 112 -0.864 -3.993 -7.326 1.00 0.00 H new ATOM 0 HD2 TYR A 112 0.005 -8.098 -8.127 1.00 0.00 H new ATOM 0 HE1 TYR A 112 -0.243 -4.324 -4.976 1.00 0.00 H new ATOM 0 HE2 TYR A 112 0.624 -8.418 -5.780 1.00 0.00 H new ATOM 0 HH TYR A 112 0.838 -7.513 -3.773 1.00 0.00 H new ATOM 1697 N TRP A 113 -2.574 -4.523 -11.780 1.00 0.00 N ATOM 1698 CA TRP A 113 -2.742 -4.429 -13.239 1.00 0.00 C ATOM 1699 C TRP A 113 -1.882 -3.267 -13.750 1.00 0.00 C ATOM 1700 O TRP A 113 -1.598 -2.319 -12.997 1.00 0.00 O ATOM 1701 CB TRP A 113 -4.243 -4.269 -13.635 1.00 0.00 C ATOM 1702 CG TRP A 113 -4.943 -3.087 -12.995 1.00 0.00 C ATOM 1703 CD1 TRP A 113 -5.011 -1.809 -13.481 1.00 0.00 C ATOM 1704 CD2 TRP A 113 -5.677 -3.079 -11.754 1.00 0.00 C ATOM 1705 NE1 TRP A 113 -5.719 -1.015 -12.620 1.00 0.00 N ATOM 1706 CE2 TRP A 113 -6.144 -1.769 -11.558 1.00 0.00 C ATOM 1707 CE3 TRP A 113 -5.982 -4.055 -10.794 1.00 0.00 C ATOM 1708 CZ2 TRP A 113 -6.895 -1.404 -10.443 1.00 0.00 C ATOM 1709 CZ3 TRP A 113 -6.730 -3.690 -9.686 1.00 0.00 C ATOM 1710 CH2 TRP A 113 -7.178 -2.374 -9.520 1.00 0.00 C ATOM 0 H TRP A 113 -2.327 -3.636 -11.342 1.00 0.00 H new ATOM 0 HA TRP A 113 -2.409 -5.354 -13.709 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -4.311 -4.171 -14.718 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -4.776 -5.180 -13.363 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -4.570 -1.476 -14.409 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -5.901 -0.020 -12.749 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -5.640 -5.072 -10.916 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -7.242 -0.390 -10.311 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -6.971 -4.432 -8.939 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -7.759 -2.119 -8.646 1.00 0.00 H new ATOM 1721 N GLY A 114 -1.442 -3.360 -15.008 1.00 0.00 N ATOM 1722 CA GLY A 114 -0.553 -2.362 -15.593 1.00 0.00 C ATOM 1723 C GLY A 114 -1.277 -1.270 -16.363 1.00 0.00 C ATOM 1724 O GLY A 114 -2.478 -1.037 -16.168 1.00 0.00 O ATOM 0 H GLY A 114 -1.690 -4.121 -15.640 1.00 0.00 H new ATOM 0 HA2 GLY A 114 0.036 -1.904 -14.798 1.00 0.00 H new ATOM 0 HA3 GLY A 114 0.148 -2.861 -16.262 1.00 0.00 H new ATOM 1728 N GLN A 115 -0.521 -0.614 -17.247 1.00 0.00 N ATOM 1729 CA GLN A 115 -1.004 0.497 -18.082 1.00 0.00 C ATOM 1730 C GLN A 115 -1.614 -0.023 -19.396 1.00 0.00 C ATOM 1731 O GLN A 115 -2.481 0.630 -19.994 1.00 0.00 O ATOM 1732 CB GLN A 115 0.163 1.486 -18.349 1.00 0.00 C ATOM 1733 CG GLN A 115 1.386 0.879 -19.060 1.00 0.00 C ATOM 1734 CD GLN A 115 2.587 1.825 -19.081 1.00 0.00 C ATOM 1735 OE1 GLN A 115 2.738 2.644 -19.987 1.00 0.00 O ATOM 1736 NE2 GLN A 115 3.435 1.738 -18.069 1.00 0.00 N ATOM 0 H GLN A 115 0.460 -0.841 -17.408 1.00 0.00 H new ATOM 0 HA GLN A 115 -1.796 1.025 -17.551 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -0.213 2.313 -18.950 1.00 0.00 H new ATOM 0 HB3 GLN A 115 0.487 1.906 -17.397 1.00 0.00 H new ATOM 0 HG2 GLN A 115 1.668 -0.048 -18.561 1.00 0.00 H new ATOM 0 HG3 GLN A 115 1.115 0.620 -20.084 1.00 0.00 H new ATOM 0 HE21 GLN A 115 3.282 1.048 -17.333 1.00 0.00 H new ATOM 0 HE22 GLN A 115 4.242 2.361 -18.025 1.00 0.00 H new ATOM 1745 N GLY A 116 -1.151 -1.204 -19.830 1.00 0.00 N ATOM 1746 CA GLY A 116 -1.606 -1.833 -21.070 1.00 0.00 C ATOM 1747 C GLY A 116 -0.692 -1.532 -22.256 1.00 0.00 C ATOM 1748 O GLY A 116 0.058 -0.544 -22.240 1.00 0.00 O ATOM 0 H GLY A 116 -0.449 -1.748 -19.327 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -1.663 -2.912 -20.925 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -2.615 -1.489 -21.298 1.00 0.00 H new ATOM 1752 N THR A 117 -0.759 -2.406 -23.277 1.00 0.00 N ATOM 1753 CA THR A 117 -0.043 -2.251 -24.551 1.00 0.00 C ATOM 1754 C THR A 117 -1.048 -2.474 -25.708 1.00 0.00 C ATOM 1755 O THR A 117 -1.530 -3.597 -25.931 1.00 0.00 O ATOM 1756 CB THR A 117 1.193 -3.226 -24.643 1.00 0.00 C ATOM 1757 OG1 THR A 117 1.844 -3.097 -25.912 1.00 0.00 O ATOM 1758 CG2 THR A 117 0.833 -4.707 -24.392 1.00 0.00 C ATOM 0 H THR A 117 -1.324 -3.255 -23.236 1.00 0.00 H new ATOM 0 HA THR A 117 0.366 -1.243 -24.622 1.00 0.00 H new ATOM 0 HB THR A 117 1.869 -2.925 -23.843 1.00 0.00 H new ATOM 0 HG1 THR A 117 1.448 -3.728 -26.549 1.00 0.00 H new ATOM 0 HG21 THR A 117 1.732 -5.318 -24.471 1.00 0.00 H new ATOM 0 HG22 THR A 117 0.408 -4.814 -23.394 1.00 0.00 H new ATOM 0 HG23 THR A 117 0.104 -5.035 -25.133 1.00 0.00 H new ATOM 1766 N GLN A 118 -1.409 -1.379 -26.406 1.00 0.00 N ATOM 1767 CA GLN A 118 -2.443 -1.409 -27.457 1.00 0.00 C ATOM 1768 C GLN A 118 -1.827 -1.928 -28.757 1.00 0.00 C ATOM 1769 O GLN A 118 -1.055 -1.220 -29.410 1.00 0.00 O ATOM 1770 CB GLN A 118 -3.100 0.000 -27.649 1.00 0.00 C ATOM 1771 CG GLN A 118 -4.544 -0.021 -28.235 1.00 0.00 C ATOM 1772 CD GLN A 118 -4.672 -0.517 -29.687 1.00 0.00 C ATOM 1773 OE1 GLN A 118 -3.790 -0.290 -30.518 1.00 0.00 O ATOM 1774 NE2 GLN A 118 -5.766 -1.206 -29.997 1.00 0.00 N ATOM 0 H GLN A 118 -0.996 -0.458 -26.259 1.00 0.00 H new ATOM 0 HA GLN A 118 -3.242 -2.086 -27.154 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -3.123 0.508 -26.685 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -2.465 0.593 -28.307 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -5.164 -0.653 -27.599 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -4.953 0.988 -28.178 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -6.479 -1.378 -29.288 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -5.893 -1.563 -30.944 1.00 0.00 H new ATOM 1783 N VAL A 119 -2.160 -3.176 -29.110 1.00 0.00 N ATOM 1784 CA VAL A 119 -1.731 -3.795 -30.372 1.00 0.00 C ATOM 1785 C VAL A 119 -2.821 -3.562 -31.440 1.00 0.00 C ATOM 1786 O VAL A 119 -4.024 -3.565 -31.130 1.00 0.00 O ATOM 1787 CB VAL A 119 -1.430 -5.338 -30.191 1.00 0.00 C ATOM 1788 CG1 VAL A 119 -0.468 -5.571 -28.997 1.00 0.00 C ATOM 1789 CG2 VAL A 119 -2.722 -6.189 -30.037 1.00 0.00 C ATOM 0 H VAL A 119 -2.735 -3.786 -28.529 1.00 0.00 H new ATOM 0 HA VAL A 119 -0.800 -3.330 -30.696 1.00 0.00 H new ATOM 0 HB VAL A 119 -0.944 -5.675 -31.106 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -0.274 -6.638 -28.889 1.00 0.00 H new ATOM 0 HG12 VAL A 119 0.471 -5.048 -29.179 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -0.924 -5.191 -28.083 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -2.454 -7.239 -29.916 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -3.277 -5.853 -29.161 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -3.342 -6.073 -30.926 1.00 0.00 H new ATOM 1799 N THR A 120 -2.400 -3.315 -32.685 1.00 0.00 N ATOM 1800 CA THR A 120 -3.311 -3.145 -33.824 1.00 0.00 C ATOM 1801 C THR A 120 -2.937 -4.158 -34.907 1.00 0.00 C ATOM 1802 O THR A 120 -1.867 -4.064 -35.514 1.00 0.00 O ATOM 1803 CB THR A 120 -3.249 -1.694 -34.405 1.00 0.00 C ATOM 1804 OG1 THR A 120 -3.501 -0.740 -33.362 1.00 0.00 O ATOM 1805 CG2 THR A 120 -4.267 -1.482 -35.551 1.00 0.00 C ATOM 0 H THR A 120 -1.414 -3.227 -32.933 1.00 0.00 H new ATOM 0 HA THR A 120 -4.332 -3.314 -33.481 1.00 0.00 H new ATOM 0 HB THR A 120 -2.249 -1.549 -34.814 1.00 0.00 H new ATOM 0 HG1 THR A 120 -3.625 -1.210 -32.511 1.00 0.00 H new ATOM 0 HG21 THR A 120 -4.188 -0.461 -35.923 1.00 0.00 H new ATOM 0 HG22 THR A 120 -4.055 -2.181 -36.360 1.00 0.00 H new ATOM 0 HG23 THR A 120 -5.276 -1.655 -35.178 1.00 0.00 H new ATOM 1813 N VAL A 121 -3.816 -5.136 -35.123 1.00 0.00 N ATOM 1814 CA VAL A 121 -3.636 -6.169 -36.147 1.00 0.00 C ATOM 1815 C VAL A 121 -4.706 -6.015 -37.241 1.00 0.00 C ATOM 1816 O VAL A 121 -5.894 -6.289 -37.031 1.00 0.00 O ATOM 1817 CB VAL A 121 -3.620 -7.611 -35.528 1.00 0.00 C ATOM 1818 CG1 VAL A 121 -4.788 -7.827 -34.559 1.00 0.00 C ATOM 1819 CG2 VAL A 121 -3.576 -8.710 -36.624 1.00 0.00 C ATOM 0 H VAL A 121 -4.680 -5.236 -34.590 1.00 0.00 H new ATOM 0 HA VAL A 121 -2.658 -6.031 -36.609 1.00 0.00 H new ATOM 0 HB VAL A 121 -2.700 -7.698 -34.949 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -4.741 -8.837 -34.152 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -4.724 -7.105 -33.745 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -5.731 -7.693 -35.090 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -3.566 -9.693 -36.153 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -4.455 -8.622 -37.263 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -2.676 -8.587 -37.227 1.00 0.00 H new ATOM 1829 N SER A 122 -4.267 -5.529 -38.406 1.00 0.00 N ATOM 1830 CA SER A 122 -5.129 -5.347 -39.577 1.00 0.00 C ATOM 1831 C SER A 122 -5.339 -6.698 -40.277 1.00 0.00 C ATOM 1832 O SER A 122 -4.430 -7.532 -40.295 1.00 0.00 O ATOM 1833 CB SER A 122 -4.492 -4.318 -40.546 1.00 0.00 C ATOM 1834 OG SER A 122 -5.357 -3.990 -41.627 1.00 0.00 O ATOM 0 H SER A 122 -3.299 -5.250 -38.564 1.00 0.00 H new ATOM 0 HA SER A 122 -6.099 -4.964 -39.260 1.00 0.00 H new ATOM 0 HB2 SER A 122 -4.241 -3.411 -39.996 1.00 0.00 H new ATOM 0 HB3 SER A 122 -3.559 -4.721 -40.939 1.00 0.00 H new ATOM 0 HG SER A 122 -4.917 -3.338 -42.212 1.00 0.00 H new ATOM 1840 N SER A 123 -6.541 -6.901 -40.848 1.00 0.00 N ATOM 1841 CA SER A 123 -6.876 -8.123 -41.601 1.00 0.00 C ATOM 1842 C SER A 123 -5.995 -8.259 -42.855 1.00 0.00 C ATOM 1843 O SER A 123 -5.523 -7.244 -43.394 1.00 0.00 O ATOM 1844 CB SER A 123 -8.380 -8.122 -41.974 1.00 0.00 C ATOM 1845 OG SER A 123 -8.743 -6.946 -42.676 1.00 0.00 O ATOM 0 H SER A 123 -7.304 -6.226 -40.801 1.00 0.00 H new ATOM 0 HA SER A 123 -6.677 -8.987 -40.966 1.00 0.00 H new ATOM 0 HB2 SER A 123 -8.604 -8.996 -42.586 1.00 0.00 H new ATOM 0 HB3 SER A 123 -8.980 -8.205 -41.068 1.00 0.00 H new ATOM 0 HG SER A 123 -9.697 -6.979 -42.897 1.00 0.00 H new