USER MOD reduce.3.24.130724 H: found=0, std=0, add=761, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 758 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 Single : A 1 MET CE :methyl -161:sc= -0.0802 (180deg=-0.524) USER MOD Single : A 1 MET N :NH3+ -120:sc= 0.0449 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0.0715 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl -128:sc= -2.57 (180deg=-5.65!) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 148:sc= -0.472 (180deg=-1.88!) USER MOD Single : A 23 THR OG1 : rot -89:sc= 1.1 USER MOD Single : A 26 ASN : amide:sc= -0.661 K(o=-0.66,f=-12!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= -0.645 USER MOD Single : A 32 ASN : amide:sc= -0.128 X(o=-0.13,f=-0.07) USER MOD Single : A 35 ASN : amide:sc= -1.77 K(o=-1.8,f=-0.92) USER MOD Single : A 39 LYS NZ :NH3+ -154:sc= -0.0519 (180deg=-0.349) USER MOD Single : A 42 CYS SG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= -0.0372 USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.0143 USER MOD Single : A 56 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 58 MET CE :methyl -168:sc= -2.42! (180deg=-2.79) USER MOD Single : A 60 THR OG1 : rot -42:sc= 0.597 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 SER OG : rot 57:sc= 1.4 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 HIS : no HE2:sc= -1.87 K(o=-1.9,f=-5.1!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot -34:sc= 0.599 USER MOD Single : A 88 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.053) USER MOD Single : A 89 THR OG1 : rot 84:sc= 1.23 USER MOD Single : A 92 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.248) USER MOD Single : A 95 ASN : amide:sc= -1.18 K(o=-1.2,f=-2.4!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 18.111 -2.793 -14.947 1.00 0.00 N ATOM 2 CA MET A 1 17.993 -1.347 -14.807 1.00 0.00 C ATOM 3 C MET A 1 16.872 -0.805 -15.690 1.00 0.00 C ATOM 4 O MET A 1 16.479 -1.438 -16.669 1.00 0.00 O ATOM 5 CB MET A 1 19.315 -0.668 -15.168 1.00 0.00 C ATOM 6 CG MET A 1 19.471 0.718 -14.565 1.00 0.00 C ATOM 7 SD MET A 1 21.131 1.387 -14.782 1.00 0.00 S ATOM 8 CE MET A 1 22.069 0.331 -13.681 1.00 0.00 C ATOM 0 H1 MET A 1 17.957 -3.245 -14.023 1.00 0.00 H new ATOM 0 H2 MET A 1 17.399 -3.136 -15.623 1.00 0.00 H new ATOM 0 H3 MET A 1 19.062 -3.032 -15.295 1.00 0.00 H new ATOM 0 HA MET A 1 17.752 -1.127 -13.767 1.00 0.00 H new ATOM 0 HB2 MET A 1 20.140 -1.296 -14.832 1.00 0.00 H new ATOM 0 HB3 MET A 1 19.392 -0.594 -16.253 1.00 0.00 H new ATOM 0 HG2 MET A 1 18.749 1.393 -15.024 1.00 0.00 H new ATOM 0 HG3 MET A 1 19.237 0.676 -13.501 1.00 0.00 H new ATOM 0 HE1 MET A 1 23.019 0.809 -13.440 1.00 0.00 H new ATOM 0 HE2 MET A 1 21.503 0.167 -12.764 1.00 0.00 H new ATOM 0 HE3 MET A 1 22.257 -0.626 -14.167 1.00 0.00 H new ATOM 18 N ALA A 2 16.362 0.370 -15.335 1.00 0.00 N ATOM 19 CA ALA A 2 15.289 0.997 -16.096 1.00 0.00 C ATOM 20 C ALA A 2 15.235 2.499 -15.834 1.00 0.00 C ATOM 21 O ALA A 2 15.935 3.011 -14.961 1.00 0.00 O ATOM 22 CB ALA A 2 13.954 0.352 -15.755 1.00 0.00 C ATOM 0 H ALA A 2 16.675 0.906 -14.526 1.00 0.00 H new ATOM 0 HA ALA A 2 15.493 0.847 -17.156 1.00 0.00 H new ATOM 0 HB1 ALA A 2 13.161 0.830 -16.331 1.00 0.00 H new ATOM 0 HB2 ALA A 2 13.990 -0.710 -15.999 1.00 0.00 H new ATOM 0 HB3 ALA A 2 13.753 0.473 -14.691 1.00 0.00 H new ATOM 28 N ARG A 3 14.401 3.198 -16.596 1.00 0.00 N ATOM 29 CA ARG A 3 14.256 4.641 -16.447 1.00 0.00 C ATOM 30 C ARG A 3 13.011 4.983 -15.636 1.00 0.00 C ATOM 31 O ARG A 3 13.104 5.385 -14.477 1.00 0.00 O ATOM 32 CB ARG A 3 14.184 5.312 -17.820 1.00 0.00 C ATOM 33 CG ARG A 3 14.062 6.825 -17.753 1.00 0.00 C ATOM 34 CD ARG A 3 15.418 7.486 -17.560 1.00 0.00 C ATOM 35 NE ARG A 3 15.766 7.619 -16.148 1.00 0.00 N ATOM 36 CZ ARG A 3 15.266 8.559 -15.353 1.00 0.00 C ATOM 37 NH1 ARG A 3 14.400 9.442 -15.829 1.00 0.00 N ATOM 38 NH2 ARG A 3 15.632 8.614 -14.079 1.00 0.00 N ATOM 0 H ARG A 3 13.815 2.788 -17.323 1.00 0.00 H new ATOM 0 HA ARG A 3 15.129 5.015 -15.912 1.00 0.00 H new ATOM 0 HB2 ARG A 3 15.077 5.053 -18.389 1.00 0.00 H new ATOM 0 HB3 ARG A 3 13.330 4.911 -18.367 1.00 0.00 H new ATOM 0 HG2 ARG A 3 13.603 7.195 -18.670 1.00 0.00 H new ATOM 0 HG3 ARG A 3 13.401 7.102 -16.932 1.00 0.00 H new ATOM 0 HD2 ARG A 3 16.183 6.899 -18.068 1.00 0.00 H new ATOM 0 HD3 ARG A 3 15.411 8.471 -18.026 1.00 0.00 H new ATOM 0 HE ARG A 3 16.429 6.954 -15.750 1.00 0.00 H new ATOM 0 HH11 ARG A 3 14.116 9.401 -16.808 1.00 0.00 H new ATOM 0 HH12 ARG A 3 14.018 10.163 -15.217 1.00 0.00 H new ATOM 0 HH21 ARG A 3 16.297 7.935 -13.710 1.00 0.00 H new ATOM 0 HH22 ARG A 3 15.248 9.336 -13.469 1.00 0.00 H new ATOM 52 N GLY A 4 11.845 4.819 -16.253 1.00 0.00 N ATOM 53 CA GLY A 4 10.597 5.116 -15.574 1.00 0.00 C ATOM 54 C GLY A 4 9.389 4.916 -16.467 1.00 0.00 C ATOM 55 O GLY A 4 8.395 5.631 -16.348 1.00 0.00 O ATOM 0 H GLY A 4 11.742 4.486 -17.211 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.505 4.478 -14.695 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.616 6.147 -15.220 1.00 0.00 H new ATOM 59 N SER A 5 9.474 3.940 -17.367 1.00 0.00 N ATOM 60 CA SER A 5 8.381 3.652 -18.288 1.00 0.00 C ATOM 61 C SER A 5 7.361 2.717 -17.644 1.00 0.00 C ATOM 62 O SER A 5 7.445 2.412 -16.454 1.00 0.00 O ATOM 63 CB SER A 5 8.922 3.026 -19.574 1.00 0.00 C ATOM 64 OG SER A 5 8.043 3.256 -20.662 1.00 0.00 O ATOM 0 H SER A 5 10.289 3.336 -17.477 1.00 0.00 H new ATOM 0 HA SER A 5 7.885 4.592 -18.530 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.903 3.443 -19.801 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.057 1.954 -19.432 1.00 0.00 H new ATOM 0 HG SER A 5 8.412 2.847 -21.473 1.00 0.00 H new ATOM 70 N VAL A 6 6.398 2.265 -18.440 1.00 0.00 N ATOM 71 CA VAL A 6 5.361 1.364 -17.951 1.00 0.00 C ATOM 72 C VAL A 6 4.557 0.773 -19.104 1.00 0.00 C ATOM 73 O VAL A 6 3.869 1.494 -19.827 1.00 0.00 O ATOM 74 CB VAL A 6 4.401 2.084 -16.986 1.00 0.00 C ATOM 75 CG1 VAL A 6 3.839 3.342 -17.632 1.00 0.00 C ATOM 76 CG2 VAL A 6 3.281 1.151 -16.554 1.00 0.00 C ATOM 0 H VAL A 6 6.314 2.508 -19.427 1.00 0.00 H new ATOM 0 HA VAL A 6 5.867 0.561 -17.416 1.00 0.00 H new ATOM 0 HB VAL A 6 4.960 2.379 -16.098 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.163 3.838 -16.936 1.00 0.00 H new ATOM 0 HG12 VAL A 6 4.656 4.017 -17.886 1.00 0.00 H new ATOM 0 HG13 VAL A 6 3.295 3.074 -18.538 1.00 0.00 H new ATOM 0 HG21 VAL A 6 2.612 1.677 -15.872 1.00 0.00 H new ATOM 0 HG22 VAL A 6 2.722 0.824 -17.430 1.00 0.00 H new ATOM 0 HG23 VAL A 6 3.705 0.283 -16.049 1.00 0.00 H new ATOM 86 N SER A 7 4.649 -0.542 -19.269 1.00 0.00 N ATOM 87 CA SER A 7 3.933 -1.231 -20.337 1.00 0.00 C ATOM 88 C SER A 7 2.434 -0.961 -20.246 1.00 0.00 C ATOM 89 O SER A 7 1.909 -0.663 -19.173 1.00 0.00 O ATOM 90 CB SER A 7 4.197 -2.736 -20.270 1.00 0.00 C ATOM 91 OG SER A 7 5.460 -3.057 -20.827 1.00 0.00 O ATOM 0 H SER A 7 5.212 -1.152 -18.677 1.00 0.00 H new ATOM 0 HA SER A 7 4.297 -0.849 -21.291 1.00 0.00 H new ATOM 0 HB2 SER A 7 4.158 -3.070 -19.233 1.00 0.00 H new ATOM 0 HB3 SER A 7 3.413 -3.270 -20.806 1.00 0.00 H new ATOM 0 HG SER A 7 5.606 -4.024 -20.771 1.00 0.00 H new ATOM 97 N ASP A 8 1.749 -1.070 -21.379 1.00 0.00 N ATOM 98 CA ASP A 8 0.310 -0.840 -21.429 1.00 0.00 C ATOM 99 C ASP A 8 -0.406 -1.640 -20.346 1.00 0.00 C ATOM 100 O ASP A 8 -1.149 -1.084 -19.539 1.00 0.00 O ATOM 101 CB ASP A 8 -0.240 -1.215 -22.806 1.00 0.00 C ATOM 102 CG ASP A 8 -1.648 -0.698 -23.027 1.00 0.00 C ATOM 103 OD1 ASP A 8 -2.535 -1.513 -23.357 1.00 0.00 O ATOM 104 OD2 ASP A 8 -1.863 0.522 -22.871 1.00 0.00 O ATOM 0 H ASP A 8 2.168 -1.316 -22.276 1.00 0.00 H new ATOM 0 HA ASP A 8 0.130 0.220 -21.251 1.00 0.00 H new ATOM 0 HB2 ASP A 8 0.417 -0.814 -23.578 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -0.233 -2.300 -22.914 1.00 0.00 H new ATOM 109 N GLU A 9 -0.177 -2.950 -20.336 1.00 0.00 N ATOM 110 CA GLU A 9 -0.802 -3.826 -19.353 1.00 0.00 C ATOM 111 C GLU A 9 -0.481 -3.369 -17.933 1.00 0.00 C ATOM 112 O GLU A 9 -1.381 -3.081 -17.145 1.00 0.00 O ATOM 113 CB GLU A 9 -0.334 -5.270 -19.553 1.00 0.00 C ATOM 114 CG GLU A 9 -1.125 -6.026 -20.606 1.00 0.00 C ATOM 115 CD GLU A 9 -2.392 -6.648 -20.049 1.00 0.00 C ATOM 116 OE1 GLU A 9 -2.283 -7.639 -19.297 1.00 0.00 O ATOM 117 OE2 GLU A 9 -3.490 -6.145 -20.366 1.00 0.00 O ATOM 0 H GLU A 9 0.436 -3.427 -20.997 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.881 -3.777 -19.496 1.00 0.00 H new ATOM 0 HB2 GLU A 9 0.719 -5.266 -19.835 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -0.408 -5.802 -18.604 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -1.385 -5.346 -21.418 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -0.498 -6.808 -21.034 1.00 0.00 H new ATOM 124 N GLU A 10 0.809 -3.303 -17.615 1.00 0.00 N ATOM 125 CA GLU A 10 1.248 -2.881 -16.291 1.00 0.00 C ATOM 126 C GLU A 10 0.571 -1.576 -15.884 1.00 0.00 C ATOM 127 O GLU A 10 -0.041 -1.487 -14.820 1.00 0.00 O ATOM 128 CB GLU A 10 2.768 -2.712 -16.264 1.00 0.00 C ATOM 129 CG GLU A 10 3.344 -2.610 -14.861 1.00 0.00 C ATOM 130 CD GLU A 10 2.820 -3.691 -13.935 1.00 0.00 C ATOM 131 OE1 GLU A 10 2.133 -3.347 -12.951 1.00 0.00 O ATOM 132 OE2 GLU A 10 3.098 -4.880 -14.195 1.00 0.00 O ATOM 0 H GLU A 10 1.567 -3.536 -18.256 1.00 0.00 H new ATOM 0 HA GLU A 10 0.964 -3.654 -15.577 1.00 0.00 H new ATOM 0 HB2 GLU A 10 3.228 -3.557 -16.776 1.00 0.00 H new ATOM 0 HB3 GLU A 10 3.036 -1.816 -16.824 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.431 -2.677 -14.913 1.00 0.00 H new ATOM 0 HG3 GLU A 10 3.104 -1.632 -14.444 1.00 0.00 H new ATOM 139 N MET A 11 0.688 -0.564 -16.738 1.00 0.00 N ATOM 140 CA MET A 11 0.088 0.737 -16.468 1.00 0.00 C ATOM 141 C MET A 11 -1.370 0.586 -16.044 1.00 0.00 C ATOM 142 O MET A 11 -1.742 0.944 -14.928 1.00 0.00 O ATOM 143 CB MET A 11 0.182 1.633 -17.704 1.00 0.00 C ATOM 144 CG MET A 11 0.664 3.042 -17.399 1.00 0.00 C ATOM 145 SD MET A 11 -0.646 4.100 -16.755 1.00 0.00 S ATOM 146 CE MET A 11 0.286 5.160 -15.652 1.00 0.00 C ATOM 0 H MET A 11 1.193 -0.620 -17.623 1.00 0.00 H new ATOM 0 HA MET A 11 0.640 1.201 -15.650 1.00 0.00 H new ATOM 0 HB2 MET A 11 0.859 1.174 -18.424 1.00 0.00 H new ATOM 0 HB3 MET A 11 -0.798 1.688 -18.178 1.00 0.00 H new ATOM 0 HG2 MET A 11 1.477 2.995 -16.674 1.00 0.00 H new ATOM 0 HG3 MET A 11 1.072 3.487 -18.307 1.00 0.00 H new ATOM 0 HE1 MET A 11 -0.180 5.159 -14.667 1.00 0.00 H new ATOM 0 HE2 MET A 11 1.308 4.791 -15.570 1.00 0.00 H new ATOM 0 HE3 MET A 11 0.297 6.176 -16.047 1.00 0.00 H new ATOM 156 N MET A 12 -2.191 0.055 -16.945 1.00 0.00 N ATOM 157 CA MET A 12 -3.608 -0.144 -16.664 1.00 0.00 C ATOM 158 C MET A 12 -3.807 -0.756 -15.281 1.00 0.00 C ATOM 159 O MET A 12 -4.527 -0.206 -14.448 1.00 0.00 O ATOM 160 CB MET A 12 -4.240 -1.043 -17.728 1.00 0.00 C ATOM 161 CG MET A 12 -5.363 -0.372 -18.502 1.00 0.00 C ATOM 162 SD MET A 12 -6.836 -0.104 -17.496 1.00 0.00 S ATOM 163 CE MET A 12 -7.131 1.639 -17.788 1.00 0.00 C ATOM 0 H MET A 12 -1.899 -0.245 -17.875 1.00 0.00 H new ATOM 0 HA MET A 12 -4.097 0.830 -16.685 1.00 0.00 H new ATOM 0 HB2 MET A 12 -3.468 -1.362 -18.428 1.00 0.00 H new ATOM 0 HB3 MET A 12 -4.627 -1.942 -17.249 1.00 0.00 H new ATOM 0 HG2 MET A 12 -5.012 0.585 -18.888 1.00 0.00 H new ATOM 0 HG3 MET A 12 -5.623 -0.987 -19.364 1.00 0.00 H new ATOM 0 HE1 MET A 12 -8.013 1.957 -17.232 1.00 0.00 H new ATOM 0 HE2 MET A 12 -6.266 2.215 -17.458 1.00 0.00 H new ATOM 0 HE3 MET A 12 -7.293 1.807 -18.853 1.00 0.00 H new ATOM 173 N GLU A 13 -3.164 -1.895 -15.044 1.00 0.00 N ATOM 174 CA GLU A 13 -3.272 -2.580 -13.762 1.00 0.00 C ATOM 175 C GLU A 13 -2.996 -1.623 -12.608 1.00 0.00 C ATOM 176 O GLU A 13 -3.703 -1.628 -11.598 1.00 0.00 O ATOM 177 CB GLU A 13 -2.299 -3.760 -13.705 1.00 0.00 C ATOM 178 CG GLU A 13 -2.763 -4.972 -14.494 1.00 0.00 C ATOM 179 CD GLU A 13 -4.149 -5.436 -14.088 1.00 0.00 C ATOM 180 OE1 GLU A 13 -4.308 -5.891 -12.935 1.00 0.00 O ATOM 181 OE2 GLU A 13 -5.073 -5.345 -14.922 1.00 0.00 O ATOM 0 H GLU A 13 -2.563 -2.362 -15.723 1.00 0.00 H new ATOM 0 HA GLU A 13 -4.291 -2.954 -13.664 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -1.329 -3.439 -14.086 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -2.153 -4.049 -12.664 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -2.761 -4.731 -15.557 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -2.054 -5.788 -14.351 1.00 0.00 H new ATOM 188 N LEU A 14 -1.964 -0.801 -12.763 1.00 0.00 N ATOM 189 CA LEU A 14 -1.593 0.164 -11.733 1.00 0.00 C ATOM 190 C LEU A 14 -2.687 1.211 -11.548 1.00 0.00 C ATOM 191 O LEU A 14 -3.095 1.504 -10.424 1.00 0.00 O ATOM 192 CB LEU A 14 -0.273 0.847 -12.098 1.00 0.00 C ATOM 193 CG LEU A 14 0.964 -0.051 -12.120 1.00 0.00 C ATOM 194 CD1 LEU A 14 1.902 0.359 -13.245 1.00 0.00 C ATOM 195 CD2 LEU A 14 1.683 -0.001 -10.780 1.00 0.00 C ATOM 0 H LEU A 14 -1.369 -0.783 -13.591 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.469 -0.374 -10.793 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.383 1.304 -13.082 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.097 1.656 -11.389 1.00 0.00 H new ATOM 0 HG LEU A 14 0.641 -1.077 -12.299 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.777 -0.291 -13.245 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.385 0.271 -14.200 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.218 1.392 -13.097 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.561 -0.646 -10.814 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.993 1.023 -10.571 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.011 -0.344 -9.993 1.00 0.00 H new ATOM 207 N ARG A 15 -3.157 1.770 -12.658 1.00 0.00 N ATOM 208 CA ARG A 15 -4.204 2.784 -12.618 1.00 0.00 C ATOM 209 C ARG A 15 -5.383 2.314 -11.771 1.00 0.00 C ATOM 210 O ARG A 15 -5.750 2.959 -10.790 1.00 0.00 O ATOM 211 CB ARG A 15 -4.679 3.113 -14.035 1.00 0.00 C ATOM 212 CG ARG A 15 -3.564 3.572 -14.960 1.00 0.00 C ATOM 213 CD ARG A 15 -3.204 5.029 -14.715 1.00 0.00 C ATOM 214 NE ARG A 15 -3.266 5.822 -15.942 1.00 0.00 N ATOM 215 CZ ARG A 15 -3.412 7.141 -15.956 1.00 0.00 C ATOM 216 NH1 ARG A 15 -3.511 7.814 -14.818 1.00 0.00 N ATOM 217 NH2 ARG A 15 -3.460 7.792 -17.112 1.00 0.00 N ATOM 0 H ARG A 15 -2.830 1.538 -13.596 1.00 0.00 H new ATOM 0 HA ARG A 15 -3.788 3.683 -12.164 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -5.155 2.231 -14.463 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -5.440 3.892 -13.982 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -2.683 2.948 -14.809 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -3.873 3.441 -15.997 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -3.885 5.451 -13.976 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -2.200 5.089 -14.295 1.00 0.00 H new ATOM 0 HE ARG A 15 -3.193 5.335 -16.835 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -3.475 7.318 -13.927 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -3.623 8.828 -14.833 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -3.385 7.278 -17.990 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -3.572 8.806 -17.122 1.00 0.00 H new ATOM 231 N GLU A 16 -5.972 1.188 -12.159 1.00 0.00 N ATOM 232 CA GLU A 16 -7.111 0.634 -11.435 1.00 0.00 C ATOM 233 C GLU A 16 -6.719 0.260 -10.008 1.00 0.00 C ATOM 234 O GLU A 16 -7.516 0.391 -9.080 1.00 0.00 O ATOM 235 CB GLU A 16 -7.658 -0.595 -12.164 1.00 0.00 C ATOM 236 CG GLU A 16 -6.673 -1.750 -12.232 1.00 0.00 C ATOM 237 CD GLU A 16 -7.255 -2.973 -12.914 1.00 0.00 C ATOM 238 OE1 GLU A 16 -6.564 -4.013 -12.957 1.00 0.00 O ATOM 239 OE2 GLU A 16 -8.399 -2.891 -13.405 1.00 0.00 O ATOM 0 H GLU A 16 -5.680 0.642 -12.969 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.888 1.398 -11.392 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.565 -0.931 -11.662 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -7.941 -0.310 -13.177 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -5.780 -1.430 -12.769 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -6.360 -2.016 -11.222 1.00 0.00 H new ATOM 246 N ALA A 17 -5.486 -0.207 -9.842 1.00 0.00 N ATOM 247 CA ALA A 17 -4.987 -0.598 -8.530 1.00 0.00 C ATOM 248 C ALA A 17 -5.099 0.551 -7.535 1.00 0.00 C ATOM 249 O ALA A 17 -5.519 0.359 -6.394 1.00 0.00 O ATOM 250 CB ALA A 17 -3.545 -1.070 -8.634 1.00 0.00 C ATOM 0 H ALA A 17 -4.814 -0.324 -10.601 1.00 0.00 H new ATOM 0 HA ALA A 17 -5.602 -1.421 -8.165 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.185 -1.359 -7.647 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -3.490 -1.927 -9.306 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -2.925 -0.263 -9.024 1.00 0.00 H new ATOM 256 N PHE A 18 -4.722 1.747 -7.974 1.00 0.00 N ATOM 257 CA PHE A 18 -4.778 2.928 -7.121 1.00 0.00 C ATOM 258 C PHE A 18 -6.210 3.437 -6.990 1.00 0.00 C ATOM 259 O PHE A 18 -6.653 3.804 -5.902 1.00 0.00 O ATOM 260 CB PHE A 18 -3.882 4.034 -7.683 1.00 0.00 C ATOM 261 CG PHE A 18 -2.551 3.536 -8.170 1.00 0.00 C ATOM 262 CD1 PHE A 18 -1.807 2.650 -7.408 1.00 0.00 C ATOM 263 CD2 PHE A 18 -2.044 3.957 -9.389 1.00 0.00 C ATOM 264 CE1 PHE A 18 -0.581 2.191 -7.854 1.00 0.00 C ATOM 265 CE2 PHE A 18 -0.820 3.500 -9.840 1.00 0.00 C ATOM 266 CZ PHE A 18 -0.087 2.617 -9.070 1.00 0.00 C ATOM 0 H PHE A 18 -4.374 1.924 -8.916 1.00 0.00 H new ATOM 0 HA PHE A 18 -4.418 2.647 -6.131 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -4.400 4.527 -8.506 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -3.720 4.787 -6.911 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -2.189 2.314 -6.455 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -2.611 4.650 -9.993 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -0.011 1.500 -7.251 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -0.437 3.833 -10.793 1.00 0.00 H new ATOM 0 HZ PHE A 18 0.871 2.261 -9.419 1.00 0.00 H new ATOM 276 N ALA A 19 -6.930 3.454 -8.108 1.00 0.00 N ATOM 277 CA ALA A 19 -8.312 3.916 -8.119 1.00 0.00 C ATOM 278 C ALA A 19 -9.218 2.954 -7.356 1.00 0.00 C ATOM 279 O ALA A 19 -10.373 3.269 -7.069 1.00 0.00 O ATOM 280 CB ALA A 19 -8.802 4.082 -9.549 1.00 0.00 C ATOM 0 H ALA A 19 -6.578 3.153 -9.017 1.00 0.00 H new ATOM 0 HA ALA A 19 -8.349 4.884 -7.619 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -9.836 4.428 -9.542 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -8.179 4.813 -10.065 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -8.743 3.125 -10.067 1.00 0.00 H new ATOM 286 N LYS A 20 -8.688 1.779 -7.033 1.00 0.00 N ATOM 287 CA LYS A 20 -9.448 0.771 -6.304 1.00 0.00 C ATOM 288 C LYS A 20 -9.652 1.188 -4.852 1.00 0.00 C ATOM 289 O LYS A 20 -10.785 1.332 -4.390 1.00 0.00 O ATOM 290 CB LYS A 20 -8.729 -0.580 -6.362 1.00 0.00 C ATOM 291 CG LYS A 20 -9.587 -1.702 -6.919 1.00 0.00 C ATOM 292 CD LYS A 20 -10.074 -1.387 -8.323 1.00 0.00 C ATOM 293 CE LYS A 20 -9.738 -2.509 -9.294 1.00 0.00 C ATOM 294 NZ LYS A 20 -10.374 -2.300 -10.624 1.00 0.00 N ATOM 0 H LYS A 20 -7.734 1.501 -7.265 1.00 0.00 H new ATOM 0 HA LYS A 20 -10.426 0.676 -6.777 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.834 -0.480 -6.976 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -8.399 -0.850 -5.359 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -9.013 -2.628 -6.931 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -10.443 -1.866 -6.264 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -11.152 -1.228 -8.308 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -9.619 -0.458 -8.667 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -8.657 -2.573 -9.415 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -10.070 -3.461 -8.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -9.763 -2.696 -11.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -11.298 -2.776 -10.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -10.505 -1.282 -10.790 1.00 0.00 H new ATOM 308 N VAL A 21 -8.550 1.383 -4.136 1.00 0.00 N ATOM 309 CA VAL A 21 -8.607 1.788 -2.735 1.00 0.00 C ATOM 310 C VAL A 21 -8.930 3.272 -2.605 1.00 0.00 C ATOM 311 O VAL A 21 -9.255 3.754 -1.520 1.00 0.00 O ATOM 312 CB VAL A 21 -7.280 1.495 -2.012 1.00 0.00 C ATOM 313 CG1 VAL A 21 -7.070 -0.004 -1.865 1.00 0.00 C ATOM 314 CG2 VAL A 21 -6.116 2.135 -2.755 1.00 0.00 C ATOM 0 H VAL A 21 -7.605 1.267 -4.503 1.00 0.00 H new ATOM 0 HA VAL A 21 -9.401 1.205 -2.268 1.00 0.00 H new ATOM 0 HB VAL A 21 -7.327 1.930 -1.014 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.127 -0.191 -1.352 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.889 -0.431 -1.286 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -7.044 -0.466 -2.852 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.186 1.918 -2.230 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -6.064 1.732 -3.767 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.263 3.214 -2.801 1.00 0.00 H new ATOM 324 N ASP A 22 -8.837 3.992 -3.719 1.00 0.00 N ATOM 325 CA ASP A 22 -9.119 5.423 -3.729 1.00 0.00 C ATOM 326 C ASP A 22 -10.545 5.698 -3.261 1.00 0.00 C ATOM 327 O ASP A 22 -11.495 5.606 -4.039 1.00 0.00 O ATOM 328 CB ASP A 22 -8.911 5.994 -5.132 1.00 0.00 C ATOM 329 CG ASP A 22 -7.482 6.444 -5.367 1.00 0.00 C ATOM 330 OD1 ASP A 22 -7.031 6.406 -6.531 1.00 0.00 O ATOM 331 OD2 ASP A 22 -6.815 6.835 -4.387 1.00 0.00 O ATOM 0 H ASP A 22 -8.569 3.608 -4.625 1.00 0.00 H new ATOM 0 HA ASP A 22 -8.429 5.910 -3.040 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -9.178 5.239 -5.872 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -9.584 6.838 -5.281 1.00 0.00 H new ATOM 336 N THR A 23 -10.689 6.035 -1.983 1.00 0.00 N ATOM 337 CA THR A 23 -11.997 6.322 -1.411 1.00 0.00 C ATOM 338 C THR A 23 -12.526 7.667 -1.894 1.00 0.00 C ATOM 339 O THR A 23 -13.577 7.740 -2.532 1.00 0.00 O ATOM 340 CB THR A 23 -11.949 6.325 0.129 1.00 0.00 C ATOM 341 OG1 THR A 23 -10.971 7.266 0.586 1.00 0.00 O ATOM 342 CG2 THR A 23 -11.614 4.940 0.663 1.00 0.00 C ATOM 0 H THR A 23 -9.914 6.116 -1.325 1.00 0.00 H new ATOM 0 HA THR A 23 -12.668 5.530 -1.745 1.00 0.00 H new ATOM 0 HB THR A 23 -12.932 6.613 0.501 1.00 0.00 H new ATOM 0 HG1 THR A 23 -10.099 6.825 0.653 1.00 0.00 H new ATOM 0 HG21 THR A 23 -11.586 4.967 1.752 1.00 0.00 H new ATOM 0 HG22 THR A 23 -12.375 4.231 0.337 1.00 0.00 H new ATOM 0 HG23 THR A 23 -10.641 4.629 0.282 1.00 0.00 H new ATOM 350 N ASP A 24 -11.792 8.731 -1.586 1.00 0.00 N ATOM 351 CA ASP A 24 -12.186 10.076 -1.990 1.00 0.00 C ATOM 352 C ASP A 24 -11.814 10.336 -3.446 1.00 0.00 C ATOM 353 O ASP A 24 -12.243 11.325 -4.041 1.00 0.00 O ATOM 354 CB ASP A 24 -11.525 11.118 -1.088 1.00 0.00 C ATOM 355 CG ASP A 24 -10.041 10.870 -0.908 1.00 0.00 C ATOM 356 OD1 ASP A 24 -9.237 11.666 -1.438 1.00 0.00 O ATOM 357 OD2 ASP A 24 -9.681 9.880 -0.237 1.00 0.00 O ATOM 0 H ASP A 24 -10.921 8.688 -1.058 1.00 0.00 H new ATOM 0 HA ASP A 24 -13.268 10.156 -1.890 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -11.676 12.110 -1.513 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -12.012 11.112 -0.113 1.00 0.00 H new ATOM 362 N GLY A 25 -11.011 9.442 -4.016 1.00 0.00 N ATOM 363 CA GLY A 25 -10.594 9.594 -5.397 1.00 0.00 C ATOM 364 C GLY A 25 -9.816 10.873 -5.630 1.00 0.00 C ATOM 365 O GLY A 25 -10.158 11.665 -6.508 1.00 0.00 O ATOM 0 H GLY A 25 -10.642 8.616 -3.545 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -9.979 8.741 -5.684 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -11.473 9.584 -6.042 1.00 0.00 H new ATOM 369 N ASN A 26 -8.765 11.077 -4.842 1.00 0.00 N ATOM 370 CA ASN A 26 -7.937 12.271 -4.966 1.00 0.00 C ATOM 371 C ASN A 26 -6.734 12.008 -5.867 1.00 0.00 C ATOM 372 O ASN A 26 -6.083 12.939 -6.338 1.00 0.00 O ATOM 373 CB ASN A 26 -7.463 12.734 -3.586 1.00 0.00 C ATOM 374 CG ASN A 26 -6.762 11.631 -2.816 1.00 0.00 C ATOM 375 OD1 ASN A 26 -6.462 10.571 -3.364 1.00 0.00 O ATOM 376 ND2 ASN A 26 -6.498 11.878 -1.538 1.00 0.00 N ATOM 0 H ASN A 26 -8.467 10.431 -4.111 1.00 0.00 H new ATOM 0 HA ASN A 26 -8.542 13.057 -5.418 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -6.785 13.580 -3.702 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -8.318 13.088 -3.011 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -6.028 11.174 -0.969 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -6.765 12.772 -1.126 1.00 0.00 H new ATOM 383 N GLY A 27 -6.445 10.731 -6.102 1.00 0.00 N ATOM 384 CA GLY A 27 -5.322 10.369 -6.946 1.00 0.00 C ATOM 385 C GLY A 27 -4.085 10.016 -6.144 1.00 0.00 C ATOM 386 O GLY A 27 -3.004 9.838 -6.706 1.00 0.00 O ATOM 0 H GLY A 27 -6.968 9.942 -5.723 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -5.600 9.521 -7.572 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -5.093 11.198 -7.616 1.00 0.00 H new ATOM 390 N TYR A 28 -4.244 9.914 -4.830 1.00 0.00 N ATOM 391 CA TYR A 28 -3.129 9.584 -3.949 1.00 0.00 C ATOM 392 C TYR A 28 -3.506 8.457 -2.992 1.00 0.00 C ATOM 393 O TYR A 28 -4.686 8.195 -2.759 1.00 0.00 O ATOM 394 CB TYR A 28 -2.696 10.818 -3.155 1.00 0.00 C ATOM 395 CG TYR A 28 -2.642 12.082 -3.983 1.00 0.00 C ATOM 396 CD1 TYR A 28 -3.235 13.255 -3.534 1.00 0.00 C ATOM 397 CD2 TYR A 28 -1.998 12.104 -5.214 1.00 0.00 C ATOM 398 CE1 TYR A 28 -3.190 14.413 -4.286 1.00 0.00 C ATOM 399 CE2 TYR A 28 -1.946 13.257 -5.973 1.00 0.00 C ATOM 400 CZ TYR A 28 -2.544 14.408 -5.505 1.00 0.00 C ATOM 401 OH TYR A 28 -2.495 15.558 -6.259 1.00 0.00 O ATOM 0 H TYR A 28 -5.133 10.055 -4.351 1.00 0.00 H new ATOM 0 HA TYR A 28 -2.297 9.248 -4.568 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -3.387 10.967 -2.325 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -1.712 10.635 -2.722 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -3.740 13.262 -2.580 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -1.530 11.204 -5.584 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -3.657 15.316 -3.922 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -1.440 13.257 -6.927 1.00 0.00 H new ATOM 0 HH TYR A 28 -2.002 15.385 -7.088 1.00 0.00 H new ATOM 411 N ILE A 29 -2.494 7.794 -2.441 1.00 0.00 N ATOM 412 CA ILE A 29 -2.719 6.696 -1.510 1.00 0.00 C ATOM 413 C ILE A 29 -1.902 6.882 -0.235 1.00 0.00 C ATOM 414 O ILE A 29 -0.684 7.054 -0.286 1.00 0.00 O ATOM 415 CB ILE A 29 -2.360 5.339 -2.142 1.00 0.00 C ATOM 416 CG1 ILE A 29 -3.324 5.014 -3.285 1.00 0.00 C ATOM 417 CG2 ILE A 29 -2.389 4.240 -1.089 1.00 0.00 C ATOM 418 CD1 ILE A 29 -3.040 3.689 -3.956 1.00 0.00 C ATOM 0 H ILE A 29 -1.511 7.998 -2.623 1.00 0.00 H new ATOM 0 HA ILE A 29 -3.781 6.703 -1.264 1.00 0.00 H new ATOM 0 HB ILE A 29 -1.350 5.399 -2.549 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -4.343 5.005 -2.899 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -3.272 5.808 -4.030 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -2.133 3.287 -1.551 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.667 4.468 -0.305 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.387 4.177 -0.656 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -3.762 3.524 -4.756 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.033 3.701 -4.373 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.120 2.886 -3.224 1.00 0.00 H new ATOM 430 N SER A 30 -2.580 6.844 0.907 1.00 0.00 N ATOM 431 CA SER A 30 -1.919 7.010 2.196 1.00 0.00 C ATOM 432 C SER A 30 -1.774 5.669 2.909 1.00 0.00 C ATOM 433 O SER A 30 -2.049 4.615 2.336 1.00 0.00 O ATOM 434 CB SER A 30 -2.703 7.986 3.074 1.00 0.00 C ATOM 435 OG SER A 30 -3.623 8.740 2.304 1.00 0.00 O ATOM 0 H SER A 30 -3.588 6.700 0.966 1.00 0.00 H new ATOM 0 HA SER A 30 -0.923 7.415 2.016 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.238 7.435 3.848 1.00 0.00 H new ATOM 0 HB3 SER A 30 -2.012 8.659 3.582 1.00 0.00 H new ATOM 0 HG SER A 30 -4.113 9.355 2.889 1.00 0.00 H new ATOM 441 N PHE A 31 -1.339 5.718 4.164 1.00 0.00 N ATOM 442 CA PHE A 31 -1.156 4.508 4.957 1.00 0.00 C ATOM 443 C PHE A 31 -2.503 3.886 5.319 1.00 0.00 C ATOM 444 O PHE A 31 -2.606 2.676 5.515 1.00 0.00 O ATOM 445 CB PHE A 31 -0.369 4.821 6.230 1.00 0.00 C ATOM 446 CG PHE A 31 -0.485 3.757 7.284 1.00 0.00 C ATOM 447 CD1 PHE A 31 0.432 2.720 7.346 1.00 0.00 C ATOM 448 CD2 PHE A 31 -1.513 3.794 8.214 1.00 0.00 C ATOM 449 CE1 PHE A 31 0.328 1.740 8.315 1.00 0.00 C ATOM 450 CE2 PHE A 31 -1.621 2.818 9.185 1.00 0.00 C ATOM 451 CZ PHE A 31 -0.702 1.789 9.236 1.00 0.00 C ATOM 0 H PHE A 31 -1.107 6.582 4.653 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.594 3.792 4.357 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.682 4.954 5.974 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.720 5.768 6.641 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.238 2.677 6.628 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -2.237 4.595 8.179 1.00 0.00 H new ATOM 0 HE1 PHE A 31 1.050 0.938 8.353 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -2.425 2.860 9.905 1.00 0.00 H new ATOM 0 HZ PHE A 31 -0.787 1.024 9.994 1.00 0.00 H new ATOM 461 N ASN A 32 -3.530 4.725 5.405 1.00 0.00 N ATOM 462 CA ASN A 32 -4.870 4.258 5.745 1.00 0.00 C ATOM 463 C ASN A 32 -5.409 3.321 4.667 1.00 0.00 C ATOM 464 O ASN A 32 -5.819 2.197 4.958 1.00 0.00 O ATOM 465 CB ASN A 32 -5.817 5.447 5.921 1.00 0.00 C ATOM 466 CG ASN A 32 -5.221 6.536 6.793 1.00 0.00 C ATOM 467 OD1 ASN A 32 -5.246 7.715 6.437 1.00 0.00 O ATOM 468 ND2 ASN A 32 -4.678 6.145 7.941 1.00 0.00 N ATOM 0 H ASN A 32 -3.461 5.730 5.244 1.00 0.00 H new ATOM 0 HA ASN A 32 -4.809 3.707 6.684 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -6.061 5.861 4.943 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -6.751 5.102 6.363 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -4.260 6.833 8.568 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -4.680 5.157 8.196 1.00 0.00 H new ATOM 475 N GLU A 33 -5.405 3.792 3.425 1.00 0.00 N ATOM 476 CA GLU A 33 -5.893 2.996 2.305 1.00 0.00 C ATOM 477 C GLU A 33 -5.054 1.734 2.128 1.00 0.00 C ATOM 478 O GLU A 33 -5.587 0.626 2.048 1.00 0.00 O ATOM 479 CB GLU A 33 -5.872 3.821 1.017 1.00 0.00 C ATOM 480 CG GLU A 33 -6.379 5.242 1.195 1.00 0.00 C ATOM 481 CD GLU A 33 -7.398 5.634 0.142 1.00 0.00 C ATOM 482 OE1 GLU A 33 -8.390 6.303 0.499 1.00 0.00 O ATOM 483 OE2 GLU A 33 -7.203 5.273 -1.037 1.00 0.00 O ATOM 0 H GLU A 33 -5.069 4.720 3.168 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.920 2.701 2.522 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -4.852 3.854 0.633 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -6.480 3.319 0.264 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -6.827 5.343 2.184 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -5.536 5.932 1.155 1.00 0.00 H new ATOM 490 N LEU A 34 -3.739 1.909 2.067 1.00 0.00 N ATOM 491 CA LEU A 34 -2.824 0.785 1.898 1.00 0.00 C ATOM 492 C LEU A 34 -3.067 -0.279 2.965 1.00 0.00 C ATOM 493 O LEU A 34 -3.438 -1.410 2.654 1.00 0.00 O ATOM 494 CB LEU A 34 -1.374 1.268 1.964 1.00 0.00 C ATOM 495 CG LEU A 34 -0.400 0.598 0.995 1.00 0.00 C ATOM 496 CD1 LEU A 34 -0.850 0.805 -0.443 1.00 0.00 C ATOM 497 CD2 LEU A 34 1.008 1.137 1.196 1.00 0.00 C ATOM 0 H LEU A 34 -3.282 2.818 2.132 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.008 0.341 0.920 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.361 2.342 1.777 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.007 1.117 2.979 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.392 -0.472 1.202 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.144 0.321 -1.118 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.840 0.370 -0.581 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.888 1.872 -0.662 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.688 0.649 0.498 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.015 2.212 1.017 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.332 0.937 2.217 1.00 0.00 H new ATOM 509 N ASN A 35 -2.855 0.093 4.223 1.00 0.00 N ATOM 510 CA ASN A 35 -3.053 -0.829 5.335 1.00 0.00 C ATOM 511 C ASN A 35 -4.410 -1.517 5.238 1.00 0.00 C ATOM 512 O ASN A 35 -4.507 -2.740 5.342 1.00 0.00 O ATOM 513 CB ASN A 35 -2.939 -0.085 6.668 1.00 0.00 C ATOM 514 CG ASN A 35 -2.553 -1.002 7.812 1.00 0.00 C ATOM 515 OD1 ASN A 35 -1.476 -0.870 8.392 1.00 0.00 O ATOM 516 ND2 ASN A 35 -3.435 -1.939 8.141 1.00 0.00 N ATOM 0 H ASN A 35 -2.546 1.026 4.498 1.00 0.00 H new ATOM 0 HA ASN A 35 -2.276 -1.592 5.284 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -2.197 0.708 6.576 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -3.891 0.394 6.896 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -3.231 -2.586 8.903 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -4.316 -2.011 7.632 1.00 0.00 H new ATOM 523 N ASP A 36 -5.457 -0.723 5.037 1.00 0.00 N ATOM 524 CA ASP A 36 -6.809 -1.255 4.924 1.00 0.00 C ATOM 525 C ASP A 36 -6.914 -2.228 3.754 1.00 0.00 C ATOM 526 O ASP A 36 -7.692 -3.183 3.794 1.00 0.00 O ATOM 527 CB ASP A 36 -7.815 -0.115 4.747 1.00 0.00 C ATOM 528 CG ASP A 36 -9.227 -0.529 5.112 1.00 0.00 C ATOM 529 OD1 ASP A 36 -10.113 0.351 5.146 1.00 0.00 O ATOM 530 OD2 ASP A 36 -9.447 -1.732 5.363 1.00 0.00 O ATOM 0 H ASP A 36 -5.394 0.291 4.949 1.00 0.00 H new ATOM 0 HA ASP A 36 -7.039 -1.794 5.843 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -7.515 0.730 5.367 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -7.795 0.226 3.712 1.00 0.00 H new ATOM 535 N LEU A 37 -6.129 -1.980 2.711 1.00 0.00 N ATOM 536 CA LEU A 37 -6.134 -2.833 1.529 1.00 0.00 C ATOM 537 C LEU A 37 -5.362 -4.123 1.786 1.00 0.00 C ATOM 538 O LEU A 37 -5.725 -5.187 1.282 1.00 0.00 O ATOM 539 CB LEU A 37 -5.525 -2.090 0.338 1.00 0.00 C ATOM 540 CG LEU A 37 -5.564 -2.827 -1.002 1.00 0.00 C ATOM 541 CD1 LEU A 37 -4.350 -3.731 -1.150 1.00 0.00 C ATOM 542 CD2 LEU A 37 -6.849 -3.630 -1.133 1.00 0.00 C ATOM 0 H LEU A 37 -5.481 -1.194 2.661 1.00 0.00 H new ATOM 0 HA LEU A 37 -7.168 -3.089 1.300 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -6.046 -1.140 0.223 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.486 -1.858 0.572 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.540 -2.087 -1.802 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.395 -4.247 -2.109 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.441 -3.131 -1.103 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.342 -4.464 -0.344 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.859 -4.147 -2.092 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -6.905 -4.361 -0.326 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.705 -2.958 -1.074 1.00 0.00 H new ATOM 554 N PHE A 38 -4.297 -4.023 2.575 1.00 0.00 N ATOM 555 CA PHE A 38 -3.474 -5.183 2.900 1.00 0.00 C ATOM 556 C PHE A 38 -4.127 -6.024 3.992 1.00 0.00 C ATOM 557 O PHE A 38 -3.878 -7.224 4.102 1.00 0.00 O ATOM 558 CB PHE A 38 -2.081 -4.738 3.347 1.00 0.00 C ATOM 559 CG PHE A 38 -1.298 -4.045 2.267 1.00 0.00 C ATOM 560 CD1 PHE A 38 -1.783 -3.987 0.971 1.00 0.00 C ATOM 561 CD2 PHE A 38 -0.078 -3.453 2.550 1.00 0.00 C ATOM 562 CE1 PHE A 38 -1.065 -3.350 -0.025 1.00 0.00 C ATOM 563 CE2 PHE A 38 0.644 -2.815 1.560 1.00 0.00 C ATOM 564 CZ PHE A 38 0.151 -2.764 0.271 1.00 0.00 C ATOM 0 H PHE A 38 -3.984 -3.151 3.001 1.00 0.00 H new ATOM 0 HA PHE A 38 -3.381 -5.794 2.002 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -2.179 -4.068 4.201 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -1.522 -5.609 3.688 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.733 -4.444 0.735 1.00 0.00 H new ATOM 0 HD2 PHE A 38 0.313 -3.491 3.556 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -1.454 -3.311 -1.032 1.00 0.00 H new ATOM 0 HE2 PHE A 38 1.593 -2.356 1.794 1.00 0.00 H new ATOM 0 HZ PHE A 38 0.715 -2.267 -0.504 1.00 0.00 H new ATOM 574 N LYS A 39 -4.964 -5.383 4.802 1.00 0.00 N ATOM 575 CA LYS A 39 -5.655 -6.070 5.888 1.00 0.00 C ATOM 576 C LYS A 39 -6.924 -6.748 5.382 1.00 0.00 C ATOM 577 O LYS A 39 -7.171 -7.918 5.673 1.00 0.00 O ATOM 578 CB LYS A 39 -6.002 -5.081 7.004 1.00 0.00 C ATOM 579 CG LYS A 39 -5.209 -5.303 8.280 1.00 0.00 C ATOM 580 CD LYS A 39 -5.781 -6.447 9.100 1.00 0.00 C ATOM 581 CE LYS A 39 -6.180 -5.989 10.495 1.00 0.00 C ATOM 582 NZ LYS A 39 -5.025 -5.418 11.242 1.00 0.00 N ATOM 0 H LYS A 39 -5.180 -4.389 4.727 1.00 0.00 H new ATOM 0 HA LYS A 39 -4.988 -6.836 6.284 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -5.824 -4.066 6.647 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.066 -5.158 7.229 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -4.170 -5.517 8.031 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -5.213 -4.390 8.875 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -6.650 -6.862 8.590 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.044 -7.246 9.175 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -6.970 -5.241 10.420 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -6.591 -6.832 11.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -5.186 -5.525 12.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -4.155 -5.921 10.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -4.927 -4.409 11.011 1.00 0.00 H new ATOM 596 N ALA A 40 -7.724 -6.007 4.623 1.00 0.00 N ATOM 597 CA ALA A 40 -8.966 -6.538 4.075 1.00 0.00 C ATOM 598 C ALA A 40 -8.709 -7.800 3.258 1.00 0.00 C ATOM 599 O ALA A 40 -9.595 -8.638 3.097 1.00 0.00 O ATOM 600 CB ALA A 40 -9.659 -5.486 3.222 1.00 0.00 C ATOM 0 H ALA A 40 -7.534 -5.036 4.373 1.00 0.00 H new ATOM 0 HA ALA A 40 -9.619 -6.802 4.907 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -10.585 -5.896 2.819 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -9.885 -4.613 3.834 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.004 -5.194 2.401 1.00 0.00 H new ATOM 606 N ALA A 41 -7.490 -7.928 2.742 1.00 0.00 N ATOM 607 CA ALA A 41 -7.117 -9.088 1.942 1.00 0.00 C ATOM 608 C ALA A 41 -7.336 -10.382 2.718 1.00 0.00 C ATOM 609 O ALA A 41 -7.501 -11.451 2.128 1.00 0.00 O ATOM 610 CB ALA A 41 -5.666 -8.976 1.496 1.00 0.00 C ATOM 0 H ALA A 41 -6.745 -7.242 2.864 1.00 0.00 H new ATOM 0 HA ALA A 41 -7.756 -9.112 1.059 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.400 -9.849 0.899 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.538 -8.074 0.897 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -5.019 -8.925 2.372 1.00 0.00 H new ATOM 616 N CYS A 42 -7.335 -10.280 4.043 1.00 0.00 N ATOM 617 CA CYS A 42 -7.532 -11.444 4.900 1.00 0.00 C ATOM 618 C CYS A 42 -6.496 -12.522 4.599 1.00 0.00 C ATOM 619 O CYS A 42 -6.755 -13.452 3.834 1.00 0.00 O ATOM 620 CB CYS A 42 -8.941 -12.009 4.712 1.00 0.00 C ATOM 621 SG CYS A 42 -9.548 -12.962 6.124 1.00 0.00 S ATOM 0 H CYS A 42 -7.200 -9.403 4.547 1.00 0.00 H new ATOM 0 HA CYS A 42 -7.410 -11.127 5.936 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -9.629 -11.185 4.521 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -8.951 -12.645 3.827 1.00 0.00 H new ATOM 0 HG CYS A 42 -10.747 -13.396 5.871 1.00 0.00 H new ATOM 627 N LEU A 43 -5.320 -12.390 5.204 1.00 0.00 N ATOM 628 CA LEU A 43 -4.242 -13.352 5.000 1.00 0.00 C ATOM 629 C LEU A 43 -3.858 -14.025 6.314 1.00 0.00 C ATOM 630 O LEU A 43 -4.124 -13.516 7.402 1.00 0.00 O ATOM 631 CB LEU A 43 -3.021 -12.658 4.393 1.00 0.00 C ATOM 632 CG LEU A 43 -3.037 -12.480 2.874 1.00 0.00 C ATOM 633 CD1 LEU A 43 -3.001 -13.831 2.178 1.00 0.00 C ATOM 634 CD2 LEU A 43 -4.262 -11.688 2.442 1.00 0.00 C ATOM 0 H LEU A 43 -5.089 -11.626 5.840 1.00 0.00 H new ATOM 0 HA LEU A 43 -4.597 -14.118 4.311 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.921 -11.675 4.853 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.132 -13.228 4.663 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.147 -11.921 2.584 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.013 -13.684 1.098 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.093 -14.362 2.462 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.871 -14.416 2.474 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.256 -11.571 1.358 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -5.164 -12.219 2.745 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.244 -10.705 2.913 1.00 0.00 H new ATOM 646 N PRO A 44 -3.215 -15.198 6.211 1.00 0.00 N ATOM 647 CA PRO A 44 -2.777 -15.965 7.381 1.00 0.00 C ATOM 648 C PRO A 44 -1.629 -15.289 8.122 1.00 0.00 C ATOM 649 O PRO A 44 -1.221 -15.734 9.196 1.00 0.00 O ATOM 650 CB PRO A 44 -2.316 -17.296 6.781 1.00 0.00 C ATOM 651 CG PRO A 44 -1.938 -16.967 5.378 1.00 0.00 C ATOM 652 CD PRO A 44 -2.865 -15.865 4.946 1.00 0.00 C ATOM 0 HA PRO A 44 -3.571 -16.067 8.121 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -1.471 -17.708 7.333 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -3.111 -18.041 6.813 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -0.898 -16.647 5.319 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -2.040 -17.839 4.732 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -2.379 -15.180 4.252 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -3.748 -16.257 4.441 1.00 0.00 H new ATOM 660 N LEU A 45 -1.112 -14.211 7.543 1.00 0.00 N ATOM 661 CA LEU A 45 -0.010 -13.471 8.149 1.00 0.00 C ATOM 662 C LEU A 45 -0.485 -12.689 9.370 1.00 0.00 C ATOM 663 O LEU A 45 -1.649 -12.304 9.477 1.00 0.00 O ATOM 664 CB LEU A 45 0.612 -12.517 7.129 1.00 0.00 C ATOM 665 CG LEU A 45 0.798 -13.072 5.717 1.00 0.00 C ATOM 666 CD1 LEU A 45 1.281 -11.982 4.773 1.00 0.00 C ATOM 667 CD2 LEU A 45 1.772 -14.241 5.727 1.00 0.00 C ATOM 0 H LEU A 45 -1.438 -13.830 6.655 1.00 0.00 H new ATOM 0 HA LEU A 45 0.743 -14.190 8.471 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.012 -11.625 7.068 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.585 -12.200 7.504 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.167 -13.432 5.360 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.407 -12.397 3.773 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.547 -11.176 4.742 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.235 -11.591 5.127 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.892 -14.623 4.713 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.738 -13.907 6.105 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.385 -15.032 6.369 1.00 0.00 H new ATOM 679 N PRO A 46 0.437 -12.448 10.314 1.00 0.00 N ATOM 680 CA PRO A 46 0.137 -11.708 11.543 1.00 0.00 C ATOM 681 C PRO A 46 -0.124 -10.229 11.280 1.00 0.00 C ATOM 682 O PRO A 46 -0.339 -9.820 10.141 1.00 0.00 O ATOM 683 CB PRO A 46 1.404 -11.887 12.384 1.00 0.00 C ATOM 684 CG PRO A 46 2.486 -12.132 11.389 1.00 0.00 C ATOM 685 CD PRO A 46 1.845 -12.879 10.254 1.00 0.00 C ATOM 0 HA PRO A 46 -0.768 -12.074 12.028 1.00 0.00 H new ATOM 0 HB2 PRO A 46 1.610 -11.000 12.983 1.00 0.00 H new ATOM 0 HB3 PRO A 46 1.305 -12.723 13.076 1.00 0.00 H new ATOM 0 HG2 PRO A 46 2.918 -11.193 11.043 1.00 0.00 H new ATOM 0 HG3 PRO A 46 3.297 -12.712 11.829 1.00 0.00 H new ATOM 0 HD2 PRO A 46 2.302 -12.626 9.297 1.00 0.00 H new ATOM 0 HD3 PRO A 46 1.941 -13.958 10.378 1.00 0.00 H new ATOM 693 N GLY A 47 -0.103 -9.431 12.344 1.00 0.00 N ATOM 694 CA GLY A 47 -0.338 -8.006 12.206 1.00 0.00 C ATOM 695 C GLY A 47 0.910 -7.249 11.794 1.00 0.00 C ATOM 696 O GLY A 47 0.895 -6.496 10.820 1.00 0.00 O ATOM 0 H GLY A 47 0.072 -9.746 13.298 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.121 -7.840 11.466 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -0.705 -7.608 13.152 1.00 0.00 H new ATOM 700 N TYR A 48 1.992 -7.448 12.538 1.00 0.00 N ATOM 701 CA TYR A 48 3.254 -6.776 12.248 1.00 0.00 C ATOM 702 C TYR A 48 3.653 -6.973 10.788 1.00 0.00 C ATOM 703 O TYR A 48 4.355 -6.146 10.209 1.00 0.00 O ATOM 704 CB TYR A 48 4.358 -7.301 13.166 1.00 0.00 C ATOM 705 CG TYR A 48 4.725 -8.745 12.908 1.00 0.00 C ATOM 706 CD1 TYR A 48 5.533 -9.095 11.833 1.00 0.00 C ATOM 707 CD2 TYR A 48 4.262 -9.758 13.737 1.00 0.00 C ATOM 708 CE1 TYR A 48 5.871 -10.413 11.593 1.00 0.00 C ATOM 709 CE2 TYR A 48 4.596 -11.079 13.506 1.00 0.00 C ATOM 710 CZ TYR A 48 5.399 -11.401 12.433 1.00 0.00 C ATOM 711 OH TYR A 48 5.732 -12.716 12.197 1.00 0.00 O ATOM 0 H TYR A 48 2.021 -8.069 13.347 1.00 0.00 H new ATOM 0 HA TYR A 48 3.119 -5.709 12.428 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.246 -6.682 13.043 1.00 0.00 H new ATOM 0 HB3 TYR A 48 4.037 -7.196 14.203 1.00 0.00 H new ATOM 0 HD1 TYR A 48 5.903 -8.324 11.174 1.00 0.00 H new ATOM 0 HD2 TYR A 48 3.630 -9.509 14.577 1.00 0.00 H new ATOM 0 HE1 TYR A 48 6.501 -10.668 10.753 1.00 0.00 H new ATOM 0 HE2 TYR A 48 4.230 -11.855 14.162 1.00 0.00 H new ATOM 0 HH TYR A 48 5.320 -13.285 12.880 1.00 0.00 H new ATOM 721 N ARG A 49 3.197 -8.075 10.202 1.00 0.00 N ATOM 722 CA ARG A 49 3.506 -8.383 8.810 1.00 0.00 C ATOM 723 C ARG A 49 2.928 -7.322 7.877 1.00 0.00 C ATOM 724 O ARG A 49 3.667 -6.619 7.187 1.00 0.00 O ATOM 725 CB ARG A 49 2.957 -9.760 8.437 1.00 0.00 C ATOM 726 CG ARG A 49 3.910 -10.586 7.587 1.00 0.00 C ATOM 727 CD ARG A 49 5.213 -10.862 8.320 1.00 0.00 C ATOM 728 NE ARG A 49 6.017 -11.877 7.644 1.00 0.00 N ATOM 729 CZ ARG A 49 7.330 -12.000 7.802 1.00 0.00 C ATOM 730 NH1 ARG A 49 7.984 -11.174 8.607 1.00 0.00 N ATOM 731 NH2 ARG A 49 7.992 -12.949 7.153 1.00 0.00 N ATOM 0 H ARG A 49 2.613 -8.769 10.668 1.00 0.00 H new ATOM 0 HA ARG A 49 4.590 -8.389 8.697 1.00 0.00 H new ATOM 0 HB2 ARG A 49 2.728 -10.310 9.350 1.00 0.00 H new ATOM 0 HB3 ARG A 49 2.019 -9.634 7.897 1.00 0.00 H new ATOM 0 HG2 ARG A 49 3.435 -11.530 7.319 1.00 0.00 H new ATOM 0 HG3 ARG A 49 4.119 -10.059 6.656 1.00 0.00 H new ATOM 0 HD2 ARG A 49 5.787 -9.939 8.399 1.00 0.00 H new ATOM 0 HD3 ARG A 49 4.995 -11.190 9.336 1.00 0.00 H new ATOM 0 HE ARG A 49 5.544 -12.527 7.016 1.00 0.00 H new ATOM 0 HH11 ARG A 49 7.479 -10.442 9.107 1.00 0.00 H new ATOM 0 HH12 ARG A 49 8.992 -11.270 8.727 1.00 0.00 H new ATOM 0 HH21 ARG A 49 7.493 -13.585 6.532 1.00 0.00 H new ATOM 0 HH22 ARG A 49 9.000 -13.042 7.275 1.00 0.00 H new ATOM 745 N VAL A 50 1.605 -7.214 7.862 1.00 0.00 N ATOM 746 CA VAL A 50 0.927 -6.239 7.015 1.00 0.00 C ATOM 747 C VAL A 50 1.379 -4.820 7.340 1.00 0.00 C ATOM 748 O VAL A 50 1.526 -3.984 6.448 1.00 0.00 O ATOM 749 CB VAL A 50 -0.602 -6.328 7.170 1.00 0.00 C ATOM 750 CG1 VAL A 50 -0.995 -6.281 8.639 1.00 0.00 C ATOM 751 CG2 VAL A 50 -1.282 -5.210 6.393 1.00 0.00 C ATOM 0 H VAL A 50 0.980 -7.789 8.427 1.00 0.00 H new ATOM 0 HA VAL A 50 1.194 -6.475 5.985 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.936 -7.281 6.760 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.079 -6.345 8.728 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.538 -7.119 9.165 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.650 -5.345 9.078 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.362 -5.288 6.514 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -0.943 -4.246 6.772 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.028 -5.294 5.336 1.00 0.00 H new ATOM 761 N ARG A 51 1.597 -4.554 8.624 1.00 0.00 N ATOM 762 CA ARG A 51 2.031 -3.236 9.069 1.00 0.00 C ATOM 763 C ARG A 51 3.464 -2.957 8.624 1.00 0.00 C ATOM 764 O ARG A 51 3.848 -1.807 8.418 1.00 0.00 O ATOM 765 CB ARG A 51 1.928 -3.126 10.591 1.00 0.00 C ATOM 766 CG ARG A 51 2.255 -1.742 11.126 1.00 0.00 C ATOM 767 CD ARG A 51 1.532 -1.467 12.436 1.00 0.00 C ATOM 768 NE ARG A 51 2.121 -2.202 13.551 1.00 0.00 N ATOM 769 CZ ARG A 51 3.300 -1.904 14.087 1.00 0.00 C ATOM 770 NH1 ARG A 51 4.011 -0.891 13.612 1.00 0.00 N ATOM 771 NH2 ARG A 51 3.769 -2.620 15.100 1.00 0.00 N ATOM 0 H ARG A 51 1.480 -5.235 9.374 1.00 0.00 H new ATOM 0 HA ARG A 51 1.375 -2.494 8.614 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.918 -3.396 10.899 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.604 -3.851 11.046 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.331 -1.654 11.277 1.00 0.00 H new ATOM 0 HG3 ARG A 51 1.974 -0.990 10.389 1.00 0.00 H new ATOM 0 HD2 ARG A 51 1.563 -0.399 12.650 1.00 0.00 H new ATOM 0 HD3 ARG A 51 0.482 -1.742 12.335 1.00 0.00 H new ATOM 0 HE ARG A 51 1.599 -2.987 13.940 1.00 0.00 H new ATOM 0 HH11 ARG A 51 3.653 -0.338 12.833 1.00 0.00 H new ATOM 0 HH12 ARG A 51 4.916 -0.665 14.025 1.00 0.00 H new ATOM 0 HH21 ARG A 51 3.225 -3.400 15.468 1.00 0.00 H new ATOM 0 HH22 ARG A 51 4.674 -2.391 15.511 1.00 0.00 H new ATOM 785 N GLU A 52 4.251 -4.020 8.481 1.00 0.00 N ATOM 786 CA GLU A 52 5.642 -3.889 8.063 1.00 0.00 C ATOM 787 C GLU A 52 5.735 -3.602 6.567 1.00 0.00 C ATOM 788 O GLU A 52 6.485 -2.723 6.138 1.00 0.00 O ATOM 789 CB GLU A 52 6.421 -5.162 8.399 1.00 0.00 C ATOM 790 CG GLU A 52 7.098 -5.119 9.758 1.00 0.00 C ATOM 791 CD GLU A 52 7.696 -6.456 10.154 1.00 0.00 C ATOM 792 OE1 GLU A 52 7.631 -6.803 11.352 1.00 0.00 O ATOM 793 OE2 GLU A 52 8.229 -7.154 9.266 1.00 0.00 O ATOM 0 H GLU A 52 3.949 -4.980 8.648 1.00 0.00 H new ATOM 0 HA GLU A 52 6.080 -3.051 8.604 1.00 0.00 H new ATOM 0 HB2 GLU A 52 5.741 -6.013 8.368 1.00 0.00 H new ATOM 0 HB3 GLU A 52 7.176 -5.329 7.631 1.00 0.00 H new ATOM 0 HG2 GLU A 52 7.883 -4.363 9.745 1.00 0.00 H new ATOM 0 HG3 GLU A 52 6.373 -4.812 10.512 1.00 0.00 H new ATOM 800 N ILE A 53 4.971 -4.349 5.778 1.00 0.00 N ATOM 801 CA ILE A 53 4.968 -4.176 4.331 1.00 0.00 C ATOM 802 C ILE A 53 4.391 -2.819 3.942 1.00 0.00 C ATOM 803 O ILE A 53 4.871 -2.172 3.010 1.00 0.00 O ATOM 804 CB ILE A 53 4.158 -5.284 3.633 1.00 0.00 C ATOM 805 CG1 ILE A 53 2.727 -5.318 4.174 1.00 0.00 C ATOM 806 CG2 ILE A 53 4.834 -6.633 3.822 1.00 0.00 C ATOM 807 CD1 ILE A 53 1.869 -6.394 3.546 1.00 0.00 C ATOM 0 H ILE A 53 4.346 -5.080 6.117 1.00 0.00 H new ATOM 0 HA ILE A 53 6.006 -4.235 4.004 1.00 0.00 H new ATOM 0 HB ILE A 53 4.117 -5.067 2.566 1.00 0.00 H new ATOM 0 HG12 ILE A 53 2.759 -5.473 5.252 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.260 -4.348 4.005 1.00 0.00 H new ATOM 0 HG21 ILE A 53 4.250 -7.406 3.323 1.00 0.00 H new ATOM 0 HG22 ILE A 53 5.835 -6.601 3.393 1.00 0.00 H new ATOM 0 HG23 ILE A 53 4.902 -6.860 4.886 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.868 -6.359 3.977 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.807 -6.228 2.470 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.313 -7.371 3.737 1.00 0.00 H new ATOM 819 N THR A 54 3.360 -2.391 4.662 1.00 0.00 N ATOM 820 CA THR A 54 2.718 -1.110 4.394 1.00 0.00 C ATOM 821 C THR A 54 3.589 0.051 4.859 1.00 0.00 C ATOM 822 O THR A 54 3.670 1.083 4.194 1.00 0.00 O ATOM 823 CB THR A 54 1.344 -1.015 5.084 1.00 0.00 C ATOM 824 OG1 THR A 54 0.649 0.153 4.633 1.00 0.00 O ATOM 825 CG2 THR A 54 1.501 -0.965 6.597 1.00 0.00 C ATOM 0 H THR A 54 2.951 -2.913 5.437 1.00 0.00 H new ATOM 0 HA THR A 54 2.580 -1.046 3.315 1.00 0.00 H new ATOM 0 HB THR A 54 0.769 -1.903 4.823 1.00 0.00 H new ATOM 0 HG1 THR A 54 -0.224 0.205 5.075 1.00 0.00 H new ATOM 0 HG21 THR A 54 0.518 -0.898 7.063 1.00 0.00 H new ATOM 0 HG22 THR A 54 2.005 -1.869 6.941 1.00 0.00 H new ATOM 0 HG23 THR A 54 2.093 -0.092 6.873 1.00 0.00 H new ATOM 833 N GLU A 55 4.241 -0.128 6.004 1.00 0.00 N ATOM 834 CA GLU A 55 5.108 0.907 6.556 1.00 0.00 C ATOM 835 C GLU A 55 6.319 1.140 5.658 1.00 0.00 C ATOM 836 O GLU A 55 6.667 2.279 5.351 1.00 0.00 O ATOM 837 CB GLU A 55 5.569 0.519 7.963 1.00 0.00 C ATOM 838 CG GLU A 55 4.598 0.927 9.057 1.00 0.00 C ATOM 839 CD GLU A 55 5.106 0.590 10.445 1.00 0.00 C ATOM 840 OE1 GLU A 55 5.741 -0.474 10.601 1.00 0.00 O ATOM 841 OE2 GLU A 55 4.870 1.390 11.375 1.00 0.00 O ATOM 0 H GLU A 55 4.186 -0.977 6.566 1.00 0.00 H new ATOM 0 HA GLU A 55 4.536 1.833 6.611 1.00 0.00 H new ATOM 0 HB2 GLU A 55 5.715 -0.560 8.003 1.00 0.00 H new ATOM 0 HB3 GLU A 55 6.537 0.979 8.158 1.00 0.00 H new ATOM 0 HG2 GLU A 55 4.414 1.999 8.992 1.00 0.00 H new ATOM 0 HG3 GLU A 55 3.642 0.429 8.893 1.00 0.00 H new ATOM 848 N ASN A 56 6.957 0.051 5.240 1.00 0.00 N ATOM 849 CA ASN A 56 8.130 0.136 4.378 1.00 0.00 C ATOM 850 C ASN A 56 7.748 0.636 2.988 1.00 0.00 C ATOM 851 O ASN A 56 8.440 1.472 2.405 1.00 0.00 O ATOM 852 CB ASN A 56 8.811 -1.231 4.273 1.00 0.00 C ATOM 853 CG ASN A 56 9.449 -1.661 5.579 1.00 0.00 C ATOM 854 OD1 ASN A 56 9.387 -0.946 6.578 1.00 0.00 O ATOM 855 ND2 ASN A 56 10.068 -2.836 5.574 1.00 0.00 N ATOM 0 H ASN A 56 6.681 -0.900 5.484 1.00 0.00 H new ATOM 0 HA ASN A 56 8.826 0.848 4.821 1.00 0.00 H new ATOM 0 HB2 ASN A 56 8.077 -1.977 3.967 1.00 0.00 H new ATOM 0 HB3 ASN A 56 9.573 -1.195 3.494 1.00 0.00 H new ATOM 0 HD21 ASN A 56 10.517 -3.179 6.423 1.00 0.00 H new ATOM 0 HD22 ASN A 56 10.094 -3.395 4.721 1.00 0.00 H new ATOM 862 N LEU A 57 6.642 0.120 2.463 1.00 0.00 N ATOM 863 CA LEU A 57 6.167 0.513 1.142 1.00 0.00 C ATOM 864 C LEU A 57 5.914 2.017 1.079 1.00 0.00 C ATOM 865 O LEU A 57 6.321 2.686 0.130 1.00 0.00 O ATOM 866 CB LEU A 57 4.887 -0.245 0.790 1.00 0.00 C ATOM 867 CG LEU A 57 4.336 -0.020 -0.618 1.00 0.00 C ATOM 868 CD1 LEU A 57 5.358 -0.437 -1.664 1.00 0.00 C ATOM 869 CD2 LEU A 57 3.032 -0.781 -0.810 1.00 0.00 C ATOM 0 H LEU A 57 6.058 -0.572 2.933 1.00 0.00 H new ATOM 0 HA LEU A 57 6.941 0.262 0.417 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.074 -1.311 0.919 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.116 0.033 1.508 1.00 0.00 H new ATOM 0 HG LEU A 57 4.133 1.044 -0.742 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.948 -0.270 -2.660 1.00 0.00 H new ATOM 0 HD12 LEU A 57 6.266 0.153 -1.541 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.593 -1.494 -1.541 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.655 -0.609 -1.818 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.208 -1.847 -0.666 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.297 -0.433 -0.084 1.00 0.00 H new ATOM 881 N MET A 58 5.243 2.541 2.099 1.00 0.00 N ATOM 882 CA MET A 58 4.938 3.966 2.162 1.00 0.00 C ATOM 883 C MET A 58 6.206 4.782 2.396 1.00 0.00 C ATOM 884 O MET A 58 6.377 5.857 1.822 1.00 0.00 O ATOM 885 CB MET A 58 3.926 4.244 3.274 1.00 0.00 C ATOM 886 CG MET A 58 2.562 3.617 3.026 1.00 0.00 C ATOM 887 SD MET A 58 1.656 4.431 1.696 1.00 0.00 S ATOM 888 CE MET A 58 1.470 6.078 2.371 1.00 0.00 C ATOM 0 H MET A 58 4.900 2.001 2.893 1.00 0.00 H new ATOM 0 HA MET A 58 4.506 4.263 1.206 1.00 0.00 H new ATOM 0 HB2 MET A 58 4.323 3.869 4.217 1.00 0.00 H new ATOM 0 HB3 MET A 58 3.807 5.322 3.384 1.00 0.00 H new ATOM 0 HG2 MET A 58 2.690 2.563 2.781 1.00 0.00 H new ATOM 0 HG3 MET A 58 1.973 3.662 3.942 1.00 0.00 H new ATOM 0 HE1 MET A 58 0.753 6.638 1.771 1.00 0.00 H new ATOM 0 HE2 MET A 58 1.110 6.012 3.398 1.00 0.00 H new ATOM 0 HE3 MET A 58 2.433 6.588 2.356 1.00 0.00 H new ATOM 898 N ALA A 59 7.089 4.264 3.243 1.00 0.00 N ATOM 899 CA ALA A 59 8.341 4.945 3.552 1.00 0.00 C ATOM 900 C ALA A 59 9.240 5.022 2.322 1.00 0.00 C ATOM 901 O ALA A 59 9.907 6.032 2.089 1.00 0.00 O ATOM 902 CB ALA A 59 9.060 4.238 4.690 1.00 0.00 C ATOM 0 H ALA A 59 6.961 3.376 3.727 1.00 0.00 H new ATOM 0 HA ALA A 59 8.106 5.963 3.863 1.00 0.00 H new ATOM 0 HB1 ALA A 59 9.993 4.757 4.910 1.00 0.00 H new ATOM 0 HB2 ALA A 59 8.427 4.239 5.577 1.00 0.00 H new ATOM 0 HB3 ALA A 59 9.277 3.210 4.400 1.00 0.00 H new ATOM 908 N THR A 60 9.257 3.949 1.537 1.00 0.00 N ATOM 909 CA THR A 60 10.076 3.896 0.334 1.00 0.00 C ATOM 910 C THR A 60 9.261 4.257 -0.903 1.00 0.00 C ATOM 911 O THR A 60 9.747 4.158 -2.029 1.00 0.00 O ATOM 912 CB THR A 60 10.694 2.498 0.137 1.00 0.00 C ATOM 913 OG1 THR A 60 11.688 2.542 -0.893 1.00 0.00 O ATOM 914 CG2 THR A 60 9.624 1.480 -0.228 1.00 0.00 C ATOM 0 H THR A 60 8.712 3.105 1.714 1.00 0.00 H new ATOM 0 HA THR A 60 10.876 4.625 0.464 1.00 0.00 H new ATOM 0 HB THR A 60 11.157 2.195 1.076 1.00 0.00 H new ATOM 0 HG1 THR A 60 11.363 3.090 -1.638 1.00 0.00 H new ATOM 0 HG21 THR A 60 10.084 0.501 -0.362 1.00 0.00 H new ATOM 0 HG22 THR A 60 8.884 1.427 0.571 1.00 0.00 H new ATOM 0 HG23 THR A 60 9.136 1.782 -1.155 1.00 0.00 H new ATOM 922 N GLY A 61 8.019 4.677 -0.686 1.00 0.00 N ATOM 923 CA GLY A 61 7.156 5.048 -1.792 1.00 0.00 C ATOM 924 C GLY A 61 6.685 6.486 -1.704 1.00 0.00 C ATOM 925 O GLY A 61 5.660 6.847 -2.281 1.00 0.00 O ATOM 0 H GLY A 61 7.594 4.767 0.237 1.00 0.00 H new ATOM 0 HA2 GLY A 61 7.690 4.901 -2.731 1.00 0.00 H new ATOM 0 HA3 GLY A 61 6.290 4.386 -1.811 1.00 0.00 H new ATOM 929 N ASP A 62 7.435 7.309 -0.978 1.00 0.00 N ATOM 930 CA ASP A 62 7.089 8.716 -0.815 1.00 0.00 C ATOM 931 C ASP A 62 8.261 9.612 -1.200 1.00 0.00 C ATOM 932 O ASP A 62 9.307 9.598 -0.549 1.00 0.00 O ATOM 933 CB ASP A 62 6.668 8.996 0.628 1.00 0.00 C ATOM 934 CG ASP A 62 5.165 8.941 0.814 1.00 0.00 C ATOM 935 OD1 ASP A 62 4.585 9.955 1.258 1.00 0.00 O ATOM 936 OD2 ASP A 62 4.568 7.886 0.516 1.00 0.00 O ATOM 0 H ASP A 62 8.286 7.025 -0.493 1.00 0.00 H new ATOM 0 HA ASP A 62 6.253 8.938 -1.478 1.00 0.00 H new ATOM 0 HB2 ASP A 62 7.140 8.268 1.289 1.00 0.00 H new ATOM 0 HB3 ASP A 62 7.032 9.979 0.925 1.00 0.00 H new ATOM 941 N LEU A 63 8.081 10.390 -2.262 1.00 0.00 N ATOM 942 CA LEU A 63 9.126 11.294 -2.735 1.00 0.00 C ATOM 943 C LEU A 63 9.111 12.601 -1.950 1.00 0.00 C ATOM 944 O LEU A 63 10.066 12.924 -1.243 1.00 0.00 O ATOM 945 CB LEU A 63 8.943 11.578 -4.226 1.00 0.00 C ATOM 946 CG LEU A 63 9.545 10.550 -5.184 1.00 0.00 C ATOM 947 CD1 LEU A 63 8.973 9.167 -4.911 1.00 0.00 C ATOM 948 CD2 LEU A 63 9.296 10.957 -6.630 1.00 0.00 C ATOM 0 H LEU A 63 7.222 10.414 -2.812 1.00 0.00 H new ATOM 0 HA LEU A 63 10.090 10.810 -2.579 1.00 0.00 H new ATOM 0 HB2 LEU A 63 7.876 11.656 -4.432 1.00 0.00 H new ATOM 0 HB3 LEU A 63 9.382 12.551 -4.447 1.00 0.00 H new ATOM 0 HG LEU A 63 10.622 10.515 -5.018 1.00 0.00 H new ATOM 0 HD11 LEU A 63 9.413 8.448 -5.602 1.00 0.00 H new ATOM 0 HD12 LEU A 63 9.204 8.873 -3.887 1.00 0.00 H new ATOM 0 HD13 LEU A 63 7.892 9.187 -5.048 1.00 0.00 H new ATOM 0 HD21 LEU A 63 9.732 10.213 -7.297 1.00 0.00 H new ATOM 0 HD22 LEU A 63 8.223 11.022 -6.810 1.00 0.00 H new ATOM 0 HD23 LEU A 63 9.755 11.927 -6.819 1.00 0.00 H new ATOM 960 N ASP A 64 8.020 13.349 -2.077 1.00 0.00 N ATOM 961 CA ASP A 64 7.879 14.620 -1.377 1.00 0.00 C ATOM 962 C ASP A 64 7.638 14.397 0.112 1.00 0.00 C ATOM 963 O ASP A 64 7.700 15.334 0.908 1.00 0.00 O ATOM 964 CB ASP A 64 6.729 15.431 -1.976 1.00 0.00 C ATOM 965 CG ASP A 64 5.490 14.592 -2.214 1.00 0.00 C ATOM 966 OD1 ASP A 64 4.554 14.668 -1.390 1.00 0.00 O ATOM 967 OD2 ASP A 64 5.455 13.858 -3.224 1.00 0.00 O ATOM 0 H ASP A 64 7.221 13.097 -2.658 1.00 0.00 H new ATOM 0 HA ASP A 64 8.808 15.177 -1.497 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.483 16.255 -1.307 1.00 0.00 H new ATOM 0 HB3 ASP A 64 7.052 15.872 -2.919 1.00 0.00 H new ATOM 972 N GLN A 65 7.362 13.151 0.481 1.00 0.00 N ATOM 973 CA GLN A 65 7.110 12.805 1.875 1.00 0.00 C ATOM 974 C GLN A 65 5.946 13.616 2.436 1.00 0.00 C ATOM 975 O GLN A 65 6.105 14.367 3.398 1.00 0.00 O ATOM 976 CB GLN A 65 8.365 13.043 2.718 1.00 0.00 C ATOM 977 CG GLN A 65 9.628 12.464 2.101 1.00 0.00 C ATOM 978 CD GLN A 65 10.882 12.868 2.854 1.00 0.00 C ATOM 979 OE1 GLN A 65 11.314 12.176 3.777 1.00 0.00 O ATOM 980 NE2 GLN A 65 11.471 13.991 2.464 1.00 0.00 N ATOM 0 H GLN A 65 7.307 12.364 -0.166 1.00 0.00 H new ATOM 0 HA GLN A 65 6.847 11.748 1.918 1.00 0.00 H new ATOM 0 HB2 GLN A 65 8.499 14.115 2.862 1.00 0.00 H new ATOM 0 HB3 GLN A 65 8.219 12.605 3.705 1.00 0.00 H new ATOM 0 HG2 GLN A 65 9.554 11.377 2.083 1.00 0.00 H new ATOM 0 HG3 GLN A 65 9.707 12.796 1.066 1.00 0.00 H new ATOM 0 HE21 GLN A 65 11.078 14.532 1.694 1.00 0.00 H new ATOM 0 HE22 GLN A 65 12.317 14.313 2.934 1.00 0.00 H new ATOM 989 N ASP A 66 4.775 13.461 1.827 1.00 0.00 N ATOM 990 CA ASP A 66 3.584 14.179 2.265 1.00 0.00 C ATOM 991 C ASP A 66 2.593 13.231 2.932 1.00 0.00 C ATOM 992 O ASP A 66 1.618 13.666 3.544 1.00 0.00 O ATOM 993 CB ASP A 66 2.919 14.880 1.078 1.00 0.00 C ATOM 994 CG ASP A 66 2.310 13.900 0.095 1.00 0.00 C ATOM 995 OD1 ASP A 66 1.437 14.317 -0.694 1.00 0.00 O ATOM 996 OD2 ASP A 66 2.708 12.717 0.113 1.00 0.00 O ATOM 0 H ASP A 66 4.626 12.844 1.028 1.00 0.00 H new ATOM 0 HA ASP A 66 3.890 14.929 2.995 1.00 0.00 H new ATOM 0 HB2 ASP A 66 2.143 15.552 1.445 1.00 0.00 H new ATOM 0 HB3 ASP A 66 3.657 15.496 0.563 1.00 0.00 H new ATOM 1001 N GLY A 67 2.848 11.932 2.807 1.00 0.00 N ATOM 1002 CA GLY A 67 1.969 10.942 3.401 1.00 0.00 C ATOM 1003 C GLY A 67 1.101 10.245 2.373 1.00 0.00 C ATOM 1004 O GLY A 67 0.479 9.223 2.665 1.00 0.00 O ATOM 0 H GLY A 67 3.648 11.548 2.305 1.00 0.00 H new ATOM 0 HA2 GLY A 67 2.567 10.200 3.929 1.00 0.00 H new ATOM 0 HA3 GLY A 67 1.332 11.425 4.142 1.00 0.00 H new ATOM 1008 N ARG A 68 1.056 10.799 1.165 1.00 0.00 N ATOM 1009 CA ARG A 68 0.255 10.226 0.091 1.00 0.00 C ATOM 1010 C ARG A 68 1.129 9.866 -1.106 1.00 0.00 C ATOM 1011 O ARG A 68 2.129 10.532 -1.380 1.00 0.00 O ATOM 1012 CB ARG A 68 -0.839 11.206 -0.338 1.00 0.00 C ATOM 1013 CG ARG A 68 -1.391 12.041 0.805 1.00 0.00 C ATOM 1014 CD ARG A 68 -2.092 11.175 1.840 1.00 0.00 C ATOM 1015 NE ARG A 68 -2.230 11.858 3.123 1.00 0.00 N ATOM 1016 CZ ARG A 68 -3.051 12.883 3.325 1.00 0.00 C ATOM 1017 NH1 ARG A 68 -3.802 13.340 2.334 1.00 0.00 N ATOM 1018 NH2 ARG A 68 -3.121 13.452 4.522 1.00 0.00 N ATOM 0 H ARG A 68 1.565 11.644 0.906 1.00 0.00 H new ATOM 0 HA ARG A 68 -0.211 9.315 0.466 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -0.439 11.872 -1.103 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -1.655 10.648 -0.796 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -0.579 12.592 1.280 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -2.090 12.779 0.413 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -3.079 10.896 1.470 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -1.531 10.251 1.980 1.00 0.00 H new ATOM 0 HE ARG A 68 -1.665 11.531 3.907 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -3.751 12.905 1.413 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -4.431 14.127 2.492 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -2.544 13.102 5.287 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -3.751 14.239 4.677 1.00 0.00 H new ATOM 1032 N ILE A 69 0.746 8.811 -1.817 1.00 0.00 N ATOM 1033 CA ILE A 69 1.495 8.364 -2.985 1.00 0.00 C ATOM 1034 C ILE A 69 0.683 8.548 -4.262 1.00 0.00 C ATOM 1035 O ILE A 69 -0.415 8.008 -4.395 1.00 0.00 O ATOM 1036 CB ILE A 69 1.905 6.884 -2.859 1.00 0.00 C ATOM 1037 CG1 ILE A 69 2.526 6.620 -1.486 1.00 0.00 C ATOM 1038 CG2 ILE A 69 2.877 6.508 -3.967 1.00 0.00 C ATOM 1039 CD1 ILE A 69 3.020 5.201 -1.309 1.00 0.00 C ATOM 0 H ILE A 69 -0.079 8.250 -1.605 1.00 0.00 H new ATOM 0 HA ILE A 69 2.394 8.978 -3.037 1.00 0.00 H new ATOM 0 HB ILE A 69 1.013 6.265 -2.959 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.358 7.307 -1.334 1.00 0.00 H new ATOM 0 HG13 ILE A 69 1.788 6.838 -0.714 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.158 5.460 -3.865 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.402 6.664 -4.936 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.769 7.131 -3.896 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.448 5.086 -0.313 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.187 4.508 -1.428 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.782 4.985 -2.058 1.00 0.00 H new ATOM 1051 N SER A 70 1.231 9.313 -5.201 1.00 0.00 N ATOM 1052 CA SER A 70 0.556 9.570 -6.467 1.00 0.00 C ATOM 1053 C SER A 70 0.750 8.405 -7.433 1.00 0.00 C ATOM 1054 O SER A 70 1.596 7.538 -7.215 1.00 0.00 O ATOM 1055 CB SER A 70 1.083 10.861 -7.097 1.00 0.00 C ATOM 1056 OG SER A 70 0.024 11.642 -7.622 1.00 0.00 O ATOM 0 H SER A 70 2.141 9.765 -5.108 1.00 0.00 H new ATOM 0 HA SER A 70 -0.510 9.680 -6.266 1.00 0.00 H new ATOM 0 HB2 SER A 70 1.628 11.438 -6.350 1.00 0.00 H new ATOM 0 HB3 SER A 70 1.789 10.620 -7.891 1.00 0.00 H new ATOM 0 HG SER A 70 -0.621 11.838 -6.911 1.00 0.00 H new ATOM 1062 N PHE A 71 -0.042 8.391 -8.500 1.00 0.00 N ATOM 1063 CA PHE A 71 0.041 7.332 -9.499 1.00 0.00 C ATOM 1064 C PHE A 71 1.480 7.138 -9.970 1.00 0.00 C ATOM 1065 O PHE A 71 2.023 6.036 -9.902 1.00 0.00 O ATOM 1066 CB PHE A 71 -0.859 7.657 -10.693 1.00 0.00 C ATOM 1067 CG PHE A 71 -2.287 7.232 -10.502 1.00 0.00 C ATOM 1068 CD1 PHE A 71 -2.993 6.641 -11.537 1.00 0.00 C ATOM 1069 CD2 PHE A 71 -2.923 7.424 -9.285 1.00 0.00 C ATOM 1070 CE1 PHE A 71 -4.307 6.248 -11.364 1.00 0.00 C ATOM 1071 CE2 PHE A 71 -4.237 7.032 -9.106 1.00 0.00 C ATOM 1072 CZ PHE A 71 -4.930 6.445 -10.148 1.00 0.00 C ATOM 0 H PHE A 71 -0.748 9.101 -8.695 1.00 0.00 H new ATOM 0 HA PHE A 71 -0.299 6.405 -9.038 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -0.830 8.731 -10.878 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -0.459 7.169 -11.582 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -2.511 6.485 -12.491 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -2.387 7.884 -8.468 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -4.845 5.787 -12.179 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -4.721 7.184 -8.153 1.00 0.00 H new ATOM 0 HZ PHE A 71 -5.957 6.141 -10.011 1.00 0.00 H new ATOM 1082 N ASP A 72 2.089 8.218 -10.446 1.00 0.00 N ATOM 1083 CA ASP A 72 3.465 8.168 -10.928 1.00 0.00 C ATOM 1084 C ASP A 72 4.405 7.667 -9.837 1.00 0.00 C ATOM 1085 O ASP A 72 5.293 6.854 -10.095 1.00 0.00 O ATOM 1086 CB ASP A 72 3.910 9.551 -11.406 1.00 0.00 C ATOM 1087 CG ASP A 72 3.480 10.657 -10.462 1.00 0.00 C ATOM 1088 OD1 ASP A 72 4.262 10.996 -9.549 1.00 0.00 O ATOM 1089 OD2 ASP A 72 2.362 11.184 -10.637 1.00 0.00 O ATOM 0 H ASP A 72 1.653 9.138 -10.509 1.00 0.00 H new ATOM 0 HA ASP A 72 3.506 7.472 -11.765 1.00 0.00 H new ATOM 0 HB2 ASP A 72 4.995 9.565 -11.507 1.00 0.00 H new ATOM 0 HB3 ASP A 72 3.495 9.741 -12.396 1.00 0.00 H new ATOM 1094 N GLU A 73 4.204 8.158 -8.617 1.00 0.00 N ATOM 1095 CA GLU A 73 5.037 7.760 -7.488 1.00 0.00 C ATOM 1096 C GLU A 73 5.046 6.243 -7.326 1.00 0.00 C ATOM 1097 O GLU A 73 6.088 5.601 -7.446 1.00 0.00 O ATOM 1098 CB GLU A 73 4.536 8.418 -6.200 1.00 0.00 C ATOM 1099 CG GLU A 73 4.990 9.859 -6.037 1.00 0.00 C ATOM 1100 CD GLU A 73 4.776 10.382 -4.629 1.00 0.00 C ATOM 1101 OE1 GLU A 73 4.513 9.560 -3.726 1.00 0.00 O ATOM 1102 OE2 GLU A 73 4.872 11.611 -4.432 1.00 0.00 O ATOM 0 H GLU A 73 3.473 8.831 -8.386 1.00 0.00 H new ATOM 0 HA GLU A 73 6.056 8.093 -7.686 1.00 0.00 H new ATOM 0 HB2 GLU A 73 3.447 8.385 -6.185 1.00 0.00 H new ATOM 0 HB3 GLU A 73 4.884 7.837 -5.346 1.00 0.00 H new ATOM 0 HG2 GLU A 73 6.047 9.934 -6.292 1.00 0.00 H new ATOM 0 HG3 GLU A 73 4.447 10.489 -6.741 1.00 0.00 H new ATOM 1109 N PHE A 74 3.875 5.676 -7.052 1.00 0.00 N ATOM 1110 CA PHE A 74 3.746 4.235 -6.872 1.00 0.00 C ATOM 1111 C PHE A 74 4.305 3.484 -8.077 1.00 0.00 C ATOM 1112 O PHE A 74 5.241 2.694 -7.950 1.00 0.00 O ATOM 1113 CB PHE A 74 2.280 3.854 -6.656 1.00 0.00 C ATOM 1114 CG PHE A 74 2.040 3.091 -5.386 1.00 0.00 C ATOM 1115 CD1 PHE A 74 2.875 2.048 -5.020 1.00 0.00 C ATOM 1116 CD2 PHE A 74 0.978 3.415 -4.557 1.00 0.00 C ATOM 1117 CE1 PHE A 74 2.658 1.343 -3.851 1.00 0.00 C ATOM 1118 CE2 PHE A 74 0.754 2.714 -3.388 1.00 0.00 C ATOM 1119 CZ PHE A 74 1.595 1.676 -3.034 1.00 0.00 C ATOM 0 H PHE A 74 3.002 6.193 -6.950 1.00 0.00 H new ATOM 0 HA PHE A 74 4.321 3.953 -5.990 1.00 0.00 H new ATOM 0 HB2 PHE A 74 1.675 4.761 -6.645 1.00 0.00 H new ATOM 0 HB3 PHE A 74 1.941 3.254 -7.500 1.00 0.00 H new ATOM 0 HD1 PHE A 74 3.706 1.782 -5.656 1.00 0.00 H new ATOM 0 HD2 PHE A 74 0.317 4.225 -4.828 1.00 0.00 H new ATOM 0 HE1 PHE A 74 3.318 0.533 -3.577 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -0.078 2.977 -2.751 1.00 0.00 H new ATOM 0 HZ PHE A 74 1.422 1.126 -2.121 1.00 0.00 H new ATOM 1129 N ILE A 75 3.726 3.738 -9.246 1.00 0.00 N ATOM 1130 CA ILE A 75 4.167 3.087 -10.473 1.00 0.00 C ATOM 1131 C ILE A 75 5.681 3.174 -10.629 1.00 0.00 C ATOM 1132 O ILE A 75 6.332 2.210 -11.033 1.00 0.00 O ATOM 1133 CB ILE A 75 3.497 3.712 -11.712 1.00 0.00 C ATOM 1134 CG1 ILE A 75 1.975 3.619 -11.598 1.00 0.00 C ATOM 1135 CG2 ILE A 75 3.982 3.022 -12.980 1.00 0.00 C ATOM 1136 CD1 ILE A 75 1.241 4.471 -12.609 1.00 0.00 C ATOM 0 H ILE A 75 2.951 4.390 -9.369 1.00 0.00 H new ATOM 0 HA ILE A 75 3.873 2.040 -10.399 1.00 0.00 H new ATOM 0 HB ILE A 75 3.774 4.765 -11.765 1.00 0.00 H new ATOM 0 HG12 ILE A 75 1.672 2.579 -11.723 1.00 0.00 H new ATOM 0 HG13 ILE A 75 1.675 3.920 -10.594 1.00 0.00 H new ATOM 0 HG21 ILE A 75 3.500 3.474 -13.847 1.00 0.00 H new ATOM 0 HG22 ILE A 75 5.063 3.135 -13.065 1.00 0.00 H new ATOM 0 HG23 ILE A 75 3.731 1.962 -12.937 1.00 0.00 H new ATOM 0 HD11 ILE A 75 0.166 4.356 -12.470 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.515 5.517 -12.471 1.00 0.00 H new ATOM 0 HD13 ILE A 75 1.512 4.155 -13.616 1.00 0.00 H new ATOM 1148 N LYS A 76 6.238 4.335 -10.303 1.00 0.00 N ATOM 1149 CA LYS A 76 7.677 4.549 -10.403 1.00 0.00 C ATOM 1150 C LYS A 76 8.436 3.564 -9.520 1.00 0.00 C ATOM 1151 O LYS A 76 9.420 2.961 -9.950 1.00 0.00 O ATOM 1152 CB LYS A 76 8.029 5.984 -10.002 1.00 0.00 C ATOM 1153 CG LYS A 76 7.974 6.969 -11.158 1.00 0.00 C ATOM 1154 CD LYS A 76 7.772 8.392 -10.667 1.00 0.00 C ATOM 1155 CE LYS A 76 9.099 9.081 -10.391 1.00 0.00 C ATOM 1156 NZ LYS A 76 8.943 10.555 -10.255 1.00 0.00 N ATOM 0 H LYS A 76 5.714 5.143 -9.967 1.00 0.00 H new ATOM 0 HA LYS A 76 7.972 4.384 -11.439 1.00 0.00 H new ATOM 0 HB2 LYS A 76 7.343 6.313 -9.222 1.00 0.00 H new ATOM 0 HB3 LYS A 76 9.030 5.997 -9.572 1.00 0.00 H new ATOM 0 HG2 LYS A 76 8.898 6.909 -11.733 1.00 0.00 H new ATOM 0 HG3 LYS A 76 7.161 6.696 -11.831 1.00 0.00 H new ATOM 0 HD2 LYS A 76 7.215 8.959 -11.412 1.00 0.00 H new ATOM 0 HD3 LYS A 76 7.170 8.382 -9.758 1.00 0.00 H new ATOM 0 HE2 LYS A 76 9.535 8.677 -9.477 1.00 0.00 H new ATOM 0 HE3 LYS A 76 9.796 8.863 -11.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 9.871 10.986 -10.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 8.551 10.945 -11.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 8.298 10.765 -9.467 1.00 0.00 H new ATOM 1170 N ILE A 77 7.971 3.402 -8.285 1.00 0.00 N ATOM 1171 CA ILE A 77 8.606 2.487 -7.344 1.00 0.00 C ATOM 1172 C ILE A 77 8.467 1.040 -7.807 1.00 0.00 C ATOM 1173 O ILE A 77 9.338 0.209 -7.548 1.00 0.00 O ATOM 1174 CB ILE A 77 8.002 2.623 -5.935 1.00 0.00 C ATOM 1175 CG1 ILE A 77 8.685 3.760 -5.171 1.00 0.00 C ATOM 1176 CG2 ILE A 77 8.135 1.313 -5.173 1.00 0.00 C ATOM 1177 CD1 ILE A 77 8.303 5.137 -5.667 1.00 0.00 C ATOM 0 H ILE A 77 7.157 3.892 -7.913 1.00 0.00 H new ATOM 0 HA ILE A 77 9.662 2.754 -7.306 1.00 0.00 H new ATOM 0 HB ILE A 77 6.942 2.859 -6.032 1.00 0.00 H new ATOM 0 HG12 ILE A 77 8.431 3.680 -4.114 1.00 0.00 H new ATOM 0 HG13 ILE A 77 9.766 3.641 -5.249 1.00 0.00 H new ATOM 0 HG21 ILE A 77 7.703 1.425 -4.178 1.00 0.00 H new ATOM 0 HG22 ILE A 77 7.608 0.524 -5.710 1.00 0.00 H new ATOM 0 HG23 ILE A 77 9.189 1.050 -5.083 1.00 0.00 H new ATOM 0 HD11 ILE A 77 8.824 5.893 -5.080 1.00 0.00 H new ATOM 0 HD12 ILE A 77 8.582 5.236 -6.716 1.00 0.00 H new ATOM 0 HD13 ILE A 77 7.227 5.276 -5.563 1.00 0.00 H new ATOM 1189 N PHE A 78 7.368 0.746 -8.494 1.00 0.00 N ATOM 1190 CA PHE A 78 7.116 -0.599 -8.994 1.00 0.00 C ATOM 1191 C PHE A 78 8.046 -0.931 -10.157 1.00 0.00 C ATOM 1192 O PHE A 78 8.531 -2.057 -10.279 1.00 0.00 O ATOM 1193 CB PHE A 78 5.658 -0.738 -9.437 1.00 0.00 C ATOM 1194 CG PHE A 78 4.749 -1.248 -8.356 1.00 0.00 C ATOM 1195 CD1 PHE A 78 3.801 -2.221 -8.632 1.00 0.00 C ATOM 1196 CD2 PHE A 78 4.842 -0.757 -7.064 1.00 0.00 C ATOM 1197 CE1 PHE A 78 2.963 -2.694 -7.640 1.00 0.00 C ATOM 1198 CE2 PHE A 78 4.007 -1.226 -6.068 1.00 0.00 C ATOM 1199 CZ PHE A 78 3.066 -2.195 -6.356 1.00 0.00 C ATOM 0 H PHE A 78 6.638 1.422 -8.717 1.00 0.00 H new ATOM 0 HA PHE A 78 7.311 -1.302 -8.184 1.00 0.00 H new ATOM 0 HB2 PHE A 78 5.296 0.232 -9.777 1.00 0.00 H new ATOM 0 HB3 PHE A 78 5.609 -1.414 -10.291 1.00 0.00 H new ATOM 0 HD1 PHE A 78 3.716 -2.614 -9.634 1.00 0.00 H new ATOM 0 HD2 PHE A 78 5.576 0.001 -6.833 1.00 0.00 H new ATOM 0 HE1 PHE A 78 2.229 -3.452 -7.868 1.00 0.00 H new ATOM 0 HE2 PHE A 78 4.090 -0.835 -5.065 1.00 0.00 H new ATOM 0 HZ PHE A 78 2.412 -2.562 -5.579 1.00 0.00 H new ATOM 1209 N HIS A 79 8.291 0.057 -11.012 1.00 0.00 N ATOM 1210 CA HIS A 79 9.162 -0.128 -12.167 1.00 0.00 C ATOM 1211 C HIS A 79 10.610 0.199 -11.812 1.00 0.00 C ATOM 1212 O HIS A 79 11.526 -0.077 -12.585 1.00 0.00 O ATOM 1213 CB HIS A 79 8.698 0.751 -13.328 1.00 0.00 C ATOM 1214 CG HIS A 79 7.688 0.088 -14.214 1.00 0.00 C ATOM 1215 ND1 HIS A 79 8.034 -0.755 -15.249 1.00 0.00 N ATOM 1216 CD2 HIS A 79 6.337 0.148 -14.214 1.00 0.00 C ATOM 1217 CE1 HIS A 79 6.938 -1.184 -15.848 1.00 0.00 C ATOM 1218 NE2 HIS A 79 5.893 -0.651 -15.239 1.00 0.00 N ATOM 0 H HIS A 79 7.898 0.994 -10.926 1.00 0.00 H new ATOM 0 HA HIS A 79 9.107 -1.174 -12.469 1.00 0.00 H new ATOM 0 HB2 HIS A 79 8.271 1.671 -12.929 1.00 0.00 H new ATOM 0 HB3 HIS A 79 9.564 1.035 -13.927 1.00 0.00 H new ATOM 0 HD1 HIS A 79 8.987 -1.008 -15.511 1.00 0.00 H new ATOM 0 HD2 HIS A 79 5.721 0.718 -13.534 1.00 0.00 H new ATOM 0 HE1 HIS A 79 6.902 -1.856 -16.692 1.00 0.00 H new ATOM 1226 N GLY A 80 10.808 0.789 -10.638 1.00 0.00 N ATOM 1227 CA GLY A 80 12.146 1.145 -10.202 1.00 0.00 C ATOM 1228 C GLY A 80 12.785 0.064 -9.353 1.00 0.00 C ATOM 1229 O GLY A 80 13.538 -0.769 -9.859 1.00 0.00 O ATOM 0 H GLY A 80 10.066 1.027 -9.980 1.00 0.00 H new ATOM 0 HA2 GLY A 80 12.771 1.334 -11.075 1.00 0.00 H new ATOM 0 HA3 GLY A 80 12.104 2.073 -9.632 1.00 0.00 H new ATOM 1233 N LEU A 81 12.488 0.078 -8.058 1.00 0.00 N ATOM 1234 CA LEU A 81 13.041 -0.908 -7.136 1.00 0.00 C ATOM 1235 C LEU A 81 12.814 -2.325 -7.653 1.00 0.00 C ATOM 1236 O LEU A 81 11.751 -2.639 -8.189 1.00 0.00 O ATOM 1237 CB LEU A 81 12.409 -0.750 -5.752 1.00 0.00 C ATOM 1238 CG LEU A 81 12.469 0.650 -5.142 1.00 0.00 C ATOM 1239 CD1 LEU A 81 11.690 0.698 -3.837 1.00 0.00 C ATOM 1240 CD2 LEU A 81 13.913 1.075 -4.919 1.00 0.00 C ATOM 0 H LEU A 81 11.868 0.761 -7.623 1.00 0.00 H new ATOM 0 HA LEU A 81 14.115 -0.737 -7.060 1.00 0.00 H new ATOM 0 HB2 LEU A 81 11.364 -1.052 -5.816 1.00 0.00 H new ATOM 0 HB3 LEU A 81 12.900 -1.443 -5.069 1.00 0.00 H new ATOM 0 HG LEU A 81 12.010 1.349 -5.841 1.00 0.00 H new ATOM 0 HD11 LEU A 81 11.744 1.703 -3.418 1.00 0.00 H new ATOM 0 HD12 LEU A 81 10.648 0.439 -4.025 1.00 0.00 H new ATOM 0 HD13 LEU A 81 12.119 -0.013 -3.131 1.00 0.00 H new ATOM 0 HD21 LEU A 81 13.935 2.074 -4.484 1.00 0.00 H new ATOM 0 HD22 LEU A 81 14.398 0.373 -4.241 1.00 0.00 H new ATOM 0 HD23 LEU A 81 14.441 1.082 -5.872 1.00 0.00 H new ATOM 1252 N LYS A 82 13.818 -3.178 -7.487 1.00 0.00 N ATOM 1253 CA LYS A 82 13.729 -4.563 -7.933 1.00 0.00 C ATOM 1254 C LYS A 82 12.463 -5.226 -7.400 1.00 0.00 C ATOM 1255 O LYS A 82 11.774 -4.671 -6.543 1.00 0.00 O ATOM 1256 CB LYS A 82 14.960 -5.349 -7.475 1.00 0.00 C ATOM 1257 CG LYS A 82 15.490 -6.313 -8.522 1.00 0.00 C ATOM 1258 CD LYS A 82 16.046 -5.575 -9.729 1.00 0.00 C ATOM 1259 CE LYS A 82 15.713 -6.297 -11.026 1.00 0.00 C ATOM 1260 NZ LYS A 82 14.391 -5.879 -11.570 1.00 0.00 N ATOM 0 H LYS A 82 14.705 -2.934 -7.046 1.00 0.00 H new ATOM 0 HA LYS A 82 13.689 -4.565 -9.022 1.00 0.00 H new ATOM 0 HB2 LYS A 82 15.750 -4.647 -7.207 1.00 0.00 H new ATOM 0 HB3 LYS A 82 14.709 -5.907 -6.573 1.00 0.00 H new ATOM 0 HG2 LYS A 82 16.270 -6.935 -8.083 1.00 0.00 H new ATOM 0 HG3 LYS A 82 14.690 -6.982 -8.840 1.00 0.00 H new ATOM 0 HD2 LYS A 82 15.638 -4.565 -9.759 1.00 0.00 H new ATOM 0 HD3 LYS A 82 17.127 -5.479 -9.632 1.00 0.00 H new ATOM 0 HE2 LYS A 82 16.490 -6.095 -11.764 1.00 0.00 H new ATOM 0 HE3 LYS A 82 15.710 -7.373 -10.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 14.201 -6.393 -12.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 13.646 -6.095 -10.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 14.401 -4.857 -11.760 1.00 0.00 H new ATOM 1274 N SER A 83 12.162 -6.415 -7.911 1.00 0.00 N ATOM 1275 CA SER A 83 10.978 -7.152 -7.488 1.00 0.00 C ATOM 1276 C SER A 83 10.926 -7.270 -5.967 1.00 0.00 C ATOM 1277 O SER A 83 11.638 -8.079 -5.370 1.00 0.00 O ATOM 1278 CB SER A 83 10.964 -8.545 -8.120 1.00 0.00 C ATOM 1279 OG SER A 83 10.667 -8.474 -9.504 1.00 0.00 O ATOM 0 H SER A 83 12.723 -6.889 -8.619 1.00 0.00 H new ATOM 0 HA SER A 83 10.099 -6.601 -7.823 1.00 0.00 H new ATOM 0 HB2 SER A 83 11.933 -9.022 -7.977 1.00 0.00 H new ATOM 0 HB3 SER A 83 10.224 -9.168 -7.618 1.00 0.00 H new ATOM 0 HG SER A 83 10.666 -9.377 -9.885 1.00 0.00 H new ATOM 1285 N THR A 84 10.078 -6.458 -5.345 1.00 0.00 N ATOM 1286 CA THR A 84 9.933 -6.470 -3.895 1.00 0.00 C ATOM 1287 C THR A 84 8.647 -7.175 -3.476 1.00 0.00 C ATOM 1288 O THR A 84 7.778 -7.445 -4.305 1.00 0.00 O ATOM 1289 CB THR A 84 9.931 -5.041 -3.319 1.00 0.00 C ATOM 1290 OG1 THR A 84 10.494 -4.130 -4.269 1.00 0.00 O ATOM 1291 CG2 THR A 84 10.721 -4.980 -2.020 1.00 0.00 C ATOM 0 H THR A 84 9.481 -5.783 -5.823 1.00 0.00 H new ATOM 0 HA THR A 84 10.789 -7.014 -3.497 1.00 0.00 H new ATOM 0 HB THR A 84 8.899 -4.758 -3.112 1.00 0.00 H new ATOM 0 HG1 THR A 84 11.203 -4.580 -4.773 1.00 0.00 H new ATOM 0 HG21 THR A 84 10.705 -3.961 -1.632 1.00 0.00 H new ATOM 0 HG22 THR A 84 10.273 -5.653 -1.289 1.00 0.00 H new ATOM 0 HG23 THR A 84 11.752 -5.282 -2.206 1.00 0.00 H new ATOM 1299 N ASP A 85 8.534 -7.471 -2.186 1.00 0.00 N ATOM 1300 CA ASP A 85 7.353 -8.143 -1.657 1.00 0.00 C ATOM 1301 C ASP A 85 6.187 -7.168 -1.521 1.00 0.00 C ATOM 1302 O ASP A 85 5.048 -7.495 -1.857 1.00 0.00 O ATOM 1303 CB ASP A 85 7.665 -8.777 -0.301 1.00 0.00 C ATOM 1304 CG ASP A 85 9.046 -9.400 -0.258 1.00 0.00 C ATOM 1305 OD1 ASP A 85 9.760 -9.193 0.746 1.00 0.00 O ATOM 1306 OD2 ASP A 85 9.412 -10.098 -1.226 1.00 0.00 O ATOM 0 H ASP A 85 9.246 -7.256 -1.487 1.00 0.00 H new ATOM 0 HA ASP A 85 7.067 -8.927 -2.358 1.00 0.00 H new ATOM 0 HB2 ASP A 85 7.587 -8.019 0.478 1.00 0.00 H new ATOM 0 HB3 ASP A 85 6.918 -9.540 -0.079 1.00 0.00 H new ATOM 1311 N VAL A 86 6.480 -5.970 -1.025 1.00 0.00 N ATOM 1312 CA VAL A 86 5.456 -4.947 -0.844 1.00 0.00 C ATOM 1313 C VAL A 86 4.761 -4.626 -2.163 1.00 0.00 C ATOM 1314 O VAL A 86 3.544 -4.453 -2.208 1.00 0.00 O ATOM 1315 CB VAL A 86 6.053 -3.653 -0.263 1.00 0.00 C ATOM 1316 CG1 VAL A 86 6.524 -3.876 1.166 1.00 0.00 C ATOM 1317 CG2 VAL A 86 7.195 -3.153 -1.136 1.00 0.00 C ATOM 0 H VAL A 86 7.417 -5.684 -0.742 1.00 0.00 H new ATOM 0 HA VAL A 86 4.727 -5.349 -0.141 1.00 0.00 H new ATOM 0 HB VAL A 86 5.275 -2.890 -0.249 1.00 0.00 H new ATOM 0 HG11 VAL A 86 6.943 -2.950 1.560 1.00 0.00 H new ATOM 0 HG12 VAL A 86 5.680 -4.184 1.783 1.00 0.00 H new ATOM 0 HG13 VAL A 86 7.287 -4.654 1.180 1.00 0.00 H new ATOM 0 HG21 VAL A 86 7.605 -2.237 -0.710 1.00 0.00 H new ATOM 0 HG22 VAL A 86 7.976 -3.912 -1.184 1.00 0.00 H new ATOM 0 HG23 VAL A 86 6.823 -2.951 -2.141 1.00 0.00 H new ATOM 1327 N ALA A 87 5.544 -4.548 -3.234 1.00 0.00 N ATOM 1328 CA ALA A 87 5.004 -4.250 -4.555 1.00 0.00 C ATOM 1329 C ALA A 87 4.059 -5.352 -5.023 1.00 0.00 C ATOM 1330 O ALA A 87 2.870 -5.115 -5.239 1.00 0.00 O ATOM 1331 CB ALA A 87 6.133 -4.060 -5.556 1.00 0.00 C ATOM 0 H ALA A 87 6.554 -4.687 -3.213 1.00 0.00 H new ATOM 0 HA ALA A 87 4.434 -3.323 -4.487 1.00 0.00 H new ATOM 0 HB1 ALA A 87 5.715 -3.838 -6.538 1.00 0.00 H new ATOM 0 HB2 ALA A 87 6.767 -3.233 -5.236 1.00 0.00 H new ATOM 0 HB3 ALA A 87 6.727 -4.972 -5.612 1.00 0.00 H new ATOM 1337 N LYS A 88 4.596 -6.557 -5.180 1.00 0.00 N ATOM 1338 CA LYS A 88 3.801 -7.697 -5.622 1.00 0.00 C ATOM 1339 C LYS A 88 2.586 -7.896 -4.722 1.00 0.00 C ATOM 1340 O LYS A 88 1.475 -8.125 -5.201 1.00 0.00 O ATOM 1341 CB LYS A 88 4.656 -8.968 -5.631 1.00 0.00 C ATOM 1342 CG LYS A 88 4.080 -10.081 -6.489 1.00 0.00 C ATOM 1343 CD LYS A 88 3.835 -11.341 -5.677 1.00 0.00 C ATOM 1344 CE LYS A 88 4.073 -12.594 -6.506 1.00 0.00 C ATOM 1345 NZ LYS A 88 3.251 -12.602 -7.748 1.00 0.00 N ATOM 0 H LYS A 88 5.579 -6.770 -5.008 1.00 0.00 H new ATOM 0 HA LYS A 88 3.451 -7.493 -6.634 1.00 0.00 H new ATOM 0 HB2 LYS A 88 5.655 -8.722 -5.992 1.00 0.00 H new ATOM 0 HB3 LYS A 88 4.767 -9.329 -4.608 1.00 0.00 H new ATOM 0 HG2 LYS A 88 3.144 -9.748 -6.938 1.00 0.00 H new ATOM 0 HG3 LYS A 88 4.765 -10.302 -7.308 1.00 0.00 H new ATOM 0 HD2 LYS A 88 4.493 -11.348 -4.808 1.00 0.00 H new ATOM 0 HD3 LYS A 88 2.811 -11.340 -5.302 1.00 0.00 H new ATOM 0 HE2 LYS A 88 5.129 -12.660 -6.769 1.00 0.00 H new ATOM 0 HE3 LYS A 88 3.837 -13.475 -5.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 3.324 -13.533 -8.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 2.257 -12.411 -7.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 3.597 -11.868 -8.398 1.00 0.00 H new ATOM 1359 N THR A 89 2.803 -7.805 -3.413 1.00 0.00 N ATOM 1360 CA THR A 89 1.726 -7.974 -2.446 1.00 0.00 C ATOM 1361 C THR A 89 0.631 -6.935 -2.656 1.00 0.00 C ATOM 1362 O THR A 89 -0.558 -7.249 -2.583 1.00 0.00 O ATOM 1363 CB THR A 89 2.247 -7.868 -1.000 1.00 0.00 C ATOM 1364 OG1 THR A 89 3.185 -8.920 -0.740 1.00 0.00 O ATOM 1365 CG2 THR A 89 1.100 -7.948 -0.005 1.00 0.00 C ATOM 0 H THR A 89 3.716 -7.615 -2.999 1.00 0.00 H new ATOM 0 HA THR A 89 1.313 -8.970 -2.604 1.00 0.00 H new ATOM 0 HB THR A 89 2.741 -6.903 -0.884 1.00 0.00 H new ATOM 0 HG1 THR A 89 4.071 -8.655 -1.063 1.00 0.00 H new ATOM 0 HG21 THR A 89 1.492 -7.871 1.009 1.00 0.00 H new ATOM 0 HG22 THR A 89 0.402 -7.131 -0.187 1.00 0.00 H new ATOM 0 HG23 THR A 89 0.582 -8.900 -0.122 1.00 0.00 H new ATOM 1373 N PHE A 90 1.038 -5.698 -2.918 1.00 0.00 N ATOM 1374 CA PHE A 90 0.089 -4.612 -3.139 1.00 0.00 C ATOM 1375 C PHE A 90 -0.786 -4.893 -4.356 1.00 0.00 C ATOM 1376 O PHE A 90 -2.008 -4.997 -4.245 1.00 0.00 O ATOM 1377 CB PHE A 90 0.833 -3.288 -3.327 1.00 0.00 C ATOM 1378 CG PHE A 90 -0.019 -2.200 -3.915 1.00 0.00 C ATOM 1379 CD1 PHE A 90 -0.748 -1.353 -3.096 1.00 0.00 C ATOM 1380 CD2 PHE A 90 -0.092 -2.025 -5.288 1.00 0.00 C ATOM 1381 CE1 PHE A 90 -1.533 -0.351 -3.634 1.00 0.00 C ATOM 1382 CE2 PHE A 90 -0.875 -1.024 -5.832 1.00 0.00 C ATOM 1383 CZ PHE A 90 -1.597 -0.187 -5.004 1.00 0.00 C ATOM 0 H PHE A 90 2.018 -5.422 -2.983 1.00 0.00 H new ATOM 0 HA PHE A 90 -0.553 -4.540 -2.261 1.00 0.00 H new ATOM 0 HB2 PHE A 90 1.217 -2.956 -2.362 1.00 0.00 H new ATOM 0 HB3 PHE A 90 1.695 -3.453 -3.974 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -0.702 -1.477 -2.024 1.00 0.00 H new ATOM 0 HD2 PHE A 90 0.469 -2.678 -5.940 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -2.096 0.303 -2.984 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -0.922 -0.897 -6.903 1.00 0.00 H new ATOM 0 HZ PHE A 90 -2.211 0.595 -5.427 1.00 0.00 H new ATOM 1393 N ARG A 91 -0.153 -5.016 -5.518 1.00 0.00 N ATOM 1394 CA ARG A 91 -0.873 -5.283 -6.757 1.00 0.00 C ATOM 1395 C ARG A 91 -1.674 -6.577 -6.652 1.00 0.00 C ATOM 1396 O ARG A 91 -2.716 -6.730 -7.288 1.00 0.00 O ATOM 1397 CB ARG A 91 0.104 -5.369 -7.931 1.00 0.00 C ATOM 1398 CG ARG A 91 1.247 -6.345 -7.704 1.00 0.00 C ATOM 1399 CD ARG A 91 2.493 -5.933 -8.471 1.00 0.00 C ATOM 1400 NE ARG A 91 3.095 -7.057 -9.183 1.00 0.00 N ATOM 1401 CZ ARG A 91 4.349 -7.064 -9.619 1.00 0.00 C ATOM 1402 NH1 ARG A 91 5.131 -6.013 -9.416 1.00 0.00 N ATOM 1403 NH2 ARG A 91 4.824 -8.125 -10.259 1.00 0.00 N ATOM 0 H ARG A 91 0.858 -4.935 -5.627 1.00 0.00 H new ATOM 0 HA ARG A 91 -1.566 -4.460 -6.930 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -0.443 -5.665 -8.826 1.00 0.00 H new ATOM 0 HB3 ARG A 91 0.516 -4.378 -8.122 1.00 0.00 H new ATOM 0 HG2 ARG A 91 1.475 -6.398 -6.639 1.00 0.00 H new ATOM 0 HG3 ARG A 91 0.941 -7.344 -8.015 1.00 0.00 H new ATOM 0 HD2 ARG A 91 2.237 -5.148 -9.183 1.00 0.00 H new ATOM 0 HD3 ARG A 91 3.221 -5.511 -7.779 1.00 0.00 H new ATOM 0 HE ARG A 91 2.520 -7.882 -9.355 1.00 0.00 H new ATOM 0 HH11 ARG A 91 4.770 -5.196 -8.924 1.00 0.00 H new ATOM 0 HH12 ARG A 91 6.094 -6.021 -9.752 1.00 0.00 H new ATOM 0 HH21 ARG A 91 4.226 -8.936 -10.416 1.00 0.00 H new ATOM 0 HH22 ARG A 91 5.788 -8.130 -10.594 1.00 0.00 H new ATOM 1417 N LYS A 92 -1.178 -7.509 -5.844 1.00 0.00 N ATOM 1418 CA LYS A 92 -1.847 -8.791 -5.653 1.00 0.00 C ATOM 1419 C LYS A 92 -3.119 -8.624 -4.829 1.00 0.00 C ATOM 1420 O LYS A 92 -4.190 -9.086 -5.221 1.00 0.00 O ATOM 1421 CB LYS A 92 -0.906 -9.783 -4.964 1.00 0.00 C ATOM 1422 CG LYS A 92 -0.017 -10.547 -5.929 1.00 0.00 C ATOM 1423 CD LYS A 92 -0.201 -12.048 -5.788 1.00 0.00 C ATOM 1424 CE LYS A 92 0.381 -12.562 -4.480 1.00 0.00 C ATOM 1425 NZ LYS A 92 1.150 -13.822 -4.673 1.00 0.00 N ATOM 0 H LYS A 92 -0.315 -7.400 -5.311 1.00 0.00 H new ATOM 0 HA LYS A 92 -2.120 -9.180 -6.634 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -0.279 -9.243 -4.255 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -1.499 -10.494 -4.389 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -0.245 -10.246 -6.951 1.00 0.00 H new ATOM 0 HG3 LYS A 92 1.026 -10.289 -5.746 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -1.262 -12.291 -5.835 1.00 0.00 H new ATOM 0 HD3 LYS A 92 0.280 -12.554 -6.625 1.00 0.00 H new ATOM 0 HE2 LYS A 92 1.032 -11.802 -4.048 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -0.425 -12.734 -3.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 1.772 -13.978 -3.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 0.490 -14.621 -4.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 1.725 -13.749 -5.536 1.00 0.00 H new ATOM 1439 N ALA A 93 -2.994 -7.960 -3.684 1.00 0.00 N ATOM 1440 CA ALA A 93 -4.134 -7.729 -2.806 1.00 0.00 C ATOM 1441 C ALA A 93 -5.109 -6.733 -3.422 1.00 0.00 C ATOM 1442 O ALA A 93 -6.289 -6.703 -3.068 1.00 0.00 O ATOM 1443 CB ALA A 93 -3.662 -7.237 -1.446 1.00 0.00 C ATOM 0 H ALA A 93 -2.114 -7.573 -3.343 1.00 0.00 H new ATOM 0 HA ALA A 93 -4.658 -8.676 -2.676 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -4.524 -7.069 -0.801 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -3.011 -7.986 -0.994 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -3.112 -6.304 -1.567 1.00 0.00 H new ATOM 1449 N ILE A 94 -4.610 -5.918 -4.347 1.00 0.00 N ATOM 1450 CA ILE A 94 -5.439 -4.921 -5.013 1.00 0.00 C ATOM 1451 C ILE A 94 -6.094 -5.497 -6.263 1.00 0.00 C ATOM 1452 O ILE A 94 -7.098 -4.975 -6.746 1.00 0.00 O ATOM 1453 CB ILE A 94 -4.617 -3.678 -5.403 1.00 0.00 C ATOM 1454 CG1 ILE A 94 -5.430 -2.405 -5.155 1.00 0.00 C ATOM 1455 CG2 ILE A 94 -4.187 -3.763 -6.860 1.00 0.00 C ATOM 1456 CD1 ILE A 94 -4.733 -1.408 -4.256 1.00 0.00 C ATOM 0 H ILE A 94 -3.637 -5.929 -4.651 1.00 0.00 H new ATOM 0 HA ILE A 94 -6.213 -4.628 -4.304 1.00 0.00 H new ATOM 0 HB ILE A 94 -3.722 -3.642 -4.782 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -5.646 -1.930 -6.112 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -6.387 -2.676 -4.710 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -3.607 -2.878 -7.120 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -3.576 -4.653 -7.008 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -5.070 -3.819 -7.497 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -5.367 -0.531 -4.124 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -4.541 -1.866 -3.286 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -3.788 -1.108 -4.709 1.00 0.00 H new ATOM 1468 N ASN A 95 -5.519 -6.576 -6.782 1.00 0.00 N ATOM 1469 CA ASN A 95 -6.047 -7.225 -7.976 1.00 0.00 C ATOM 1470 C ASN A 95 -7.033 -8.329 -7.605 1.00 0.00 C ATOM 1471 O ASN A 95 -7.328 -9.210 -8.412 1.00 0.00 O ATOM 1472 CB ASN A 95 -4.907 -7.806 -8.814 1.00 0.00 C ATOM 1473 CG ASN A 95 -4.234 -6.758 -9.681 1.00 0.00 C ATOM 1474 OD1 ASN A 95 -4.853 -5.767 -10.069 1.00 0.00 O ATOM 1475 ND2 ASN A 95 -2.959 -6.972 -9.987 1.00 0.00 N ATOM 0 H ASN A 95 -4.687 -7.020 -6.394 1.00 0.00 H new ATOM 0 HA ASN A 95 -6.574 -6.473 -8.563 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -4.167 -8.257 -8.153 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -5.295 -8.603 -9.448 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -2.454 -6.301 -10.565 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -2.485 -7.807 -9.643 1.00 0.00 H new ATOM 1482 N LYS A 96 -7.540 -8.273 -6.378 1.00 0.00 N ATOM 1483 CA LYS A 96 -8.494 -9.265 -5.899 1.00 0.00 C ATOM 1484 C LYS A 96 -7.856 -10.649 -5.838 1.00 0.00 C ATOM 1485 O LYS A 96 -8.548 -11.659 -5.716 1.00 0.00 O ATOM 1486 CB LYS A 96 -9.725 -9.300 -6.807 1.00 0.00 C ATOM 1487 CG LYS A 96 -10.343 -7.933 -7.047 1.00 0.00 C ATOM 1488 CD LYS A 96 -11.747 -7.847 -6.473 1.00 0.00 C ATOM 1489 CE LYS A 96 -12.748 -8.601 -7.335 1.00 0.00 C ATOM 1490 NZ LYS A 96 -13.343 -7.728 -8.386 1.00 0.00 N ATOM 0 H LYS A 96 -7.306 -7.550 -5.697 1.00 0.00 H new ATOM 0 HA LYS A 96 -8.800 -8.980 -4.892 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -9.446 -9.737 -7.766 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -10.475 -9.956 -6.364 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -9.716 -7.165 -6.594 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -10.373 -7.729 -8.117 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -11.754 -8.256 -5.463 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -12.046 -6.802 -6.396 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -12.254 -9.451 -7.806 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -13.541 -9.002 -6.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -14.020 -8.278 -8.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -13.836 -6.930 -7.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -12.589 -7.365 -9.004 1.00 0.00 H new ATOM 1504 N LYS A 97 -6.530 -10.689 -5.923 1.00 0.00 N ATOM 1505 CA LYS A 97 -5.797 -11.948 -5.874 1.00 0.00 C ATOM 1506 C LYS A 97 -6.165 -12.838 -7.058 1.00 0.00 C ATOM 1507 O LYS A 97 -6.302 -14.047 -6.881 1.00 0.00 O ATOM 1508 CB LYS A 97 -6.086 -12.680 -4.562 1.00 0.00 C ATOM 1509 CG LYS A 97 -5.965 -11.797 -3.333 1.00 0.00 C ATOM 1510 CD LYS A 97 -6.306 -12.558 -2.063 1.00 0.00 C ATOM 1511 CE LYS A 97 -7.809 -12.727 -1.901 1.00 0.00 C ATOM 1512 NZ LYS A 97 -8.148 -13.613 -0.754 1.00 0.00 N ATOM 0 H LYS A 97 -5.941 -9.863 -6.026 1.00 0.00 H new ATOM 0 HA LYS A 97 -4.732 -11.722 -5.929 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -7.093 -13.096 -4.602 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -5.398 -13.520 -4.465 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -4.950 -11.407 -3.263 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -6.630 -10.939 -3.434 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -5.829 -13.538 -2.086 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -5.903 -12.027 -1.200 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -8.270 -11.750 -1.754 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -8.228 -13.143 -2.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -9.181 -13.702 -0.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -7.730 -14.553 -0.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -7.770 -13.204 0.124 1.00 0.00 H new TER 1526 LYS A 97 HETATM 1527 CA CA A 101 -7.588 8.240 -1.755 1.00 0.00 CA HETATM 1528 CA CA A 102 5.063 11.439 -1.370 1.00 0.00 CA