USER MOD reduce.3.24.130724 H: found=0, std=0, add=565, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 464 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 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -142:sc= -0.0351 (180deg=-0.673) USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-0.93!) USER MOD Single : A 10 MET CE :methyl -111:sc= -5.63! (180deg=-7.38!) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -3.27 X(o=-3.3,f=-3.2!) USER MOD Single : A 25 TYR OH : rot 165:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -0.0692 X(o=-0.069,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 146:sc= 0.117 (180deg=-1.78!) USER MOD Single : A 31 HIS : no HD1:sc= -1.11 K(o=-1.1,f=-2.1) USER MOD Single : A 34 LYS NZ :NH3+ -162:sc= 0.0253 (180deg=-0.00116) USER MOD Single : A 35 HIS : no HD1:sc= -0.0867 X(o=-0.087,f=0) USER MOD Single : A 39 THR OG1 : rot 85:sc= 0.0575 USER MOD Single : A 40 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0588) USER MOD Single : A 43 HIS : no HD1:sc= -0.0228 X(o=-0.023,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 CYS SG : rot 17:sc= 0.236 USER MOD Single : A 50 SER OG : rot 180:sc= -0.0111 USER MOD Single : A 54 GLN :FLIP amide:sc= 0.338 F(o=-0.42,f=0.34) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.402 -9.693 -4.409 1.00 0.00 N ATOM 2 CA MET A 1 -12.711 -9.909 -3.006 1.00 0.00 C ATOM 3 C MET A 1 -11.463 -9.742 -2.137 1.00 0.00 C ATOM 4 O MET A 1 -10.571 -10.590 -2.156 1.00 0.00 O ATOM 5 CB MET A 1 -13.278 -11.318 -2.820 1.00 0.00 C ATOM 6 CG MET A 1 -14.804 -11.316 -2.940 1.00 0.00 C ATOM 7 SD MET A 1 -15.542 -11.634 -1.346 1.00 0.00 S ATOM 8 CE MET A 1 -17.269 -11.470 -1.766 1.00 0.00 C ATOM 0 H1 MET A 1 -13.265 -9.812 -4.977 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.032 -8.730 -4.539 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.687 -10.383 -4.717 1.00 0.00 H new ATOM 0 HA MET A 1 -13.447 -9.167 -2.697 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.852 -11.987 -3.568 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.987 -11.705 -1.843 1.00 0.00 H new ATOM 0 HG2 MET A 1 -15.146 -10.354 -3.323 1.00 0.00 H new ATOM 0 HG3 MET A 1 -15.122 -12.075 -3.655 1.00 0.00 H new ATOM 0 HE1 MET A 1 -17.877 -11.639 -0.877 1.00 0.00 H new ATOM 0 HE2 MET A 1 -17.457 -10.467 -2.149 1.00 0.00 H new ATOM 0 HE3 MET A 1 -17.529 -12.204 -2.529 1.00 0.00 H new ATOM 16 N ALA A 2 -11.439 -8.644 -1.396 1.00 0.00 N ATOM 17 CA ALA A 2 -10.315 -8.356 -0.522 1.00 0.00 C ATOM 18 C ALA A 2 -10.272 -9.389 0.605 1.00 0.00 C ATOM 19 O ALA A 2 -11.186 -9.458 1.425 1.00 0.00 O ATOM 20 CB ALA A 2 -10.432 -6.924 0.005 1.00 0.00 C ATOM 0 H ALA A 2 -12.180 -7.943 -1.383 1.00 0.00 H new ATOM 0 HA ALA A 2 -9.375 -8.427 -1.070 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -9.589 -6.708 0.661 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -10.428 -6.227 -0.833 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -11.362 -6.816 0.563 1.00 0.00 H new ATOM 26 N ASP A 3 -9.200 -10.169 0.608 1.00 0.00 N ATOM 27 CA ASP A 3 -9.026 -11.197 1.621 1.00 0.00 C ATOM 28 C ASP A 3 -7.756 -10.907 2.423 1.00 0.00 C ATOM 29 O ASP A 3 -7.229 -11.788 3.100 1.00 0.00 O ATOM 30 CB ASP A 3 -8.876 -12.580 0.983 1.00 0.00 C ATOM 31 CG ASP A 3 -8.813 -13.744 1.972 1.00 0.00 C ATOM 32 OD1 ASP A 3 -9.291 -13.549 3.111 1.00 0.00 O ATOM 33 OD2 ASP A 3 -8.289 -14.805 1.567 1.00 0.00 O ATOM 0 H ASP A 3 -8.444 -10.110 -0.074 1.00 0.00 H new ATOM 0 HA ASP A 3 -9.907 -11.189 2.263 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -9.714 -12.744 0.305 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -7.970 -12.588 0.377 1.00 0.00 H new ATOM 37 N SER A 4 -7.301 -9.666 2.321 1.00 0.00 N ATOM 38 CA SER A 4 -6.103 -9.248 3.028 1.00 0.00 C ATOM 39 C SER A 4 -4.861 -9.606 2.211 1.00 0.00 C ATOM 40 O SER A 4 -4.073 -8.730 1.855 1.00 0.00 O ATOM 41 CB SER A 4 -6.029 -9.891 4.415 1.00 0.00 C ATOM 42 OG SER A 4 -5.236 -9.125 5.317 1.00 0.00 O ATOM 0 H SER A 4 -7.741 -8.937 1.759 1.00 0.00 H new ATOM 0 HA SER A 4 -6.144 -8.167 3.160 1.00 0.00 H new ATOM 0 HB2 SER A 4 -7.036 -9.998 4.819 1.00 0.00 H new ATOM 0 HB3 SER A 4 -5.612 -10.894 4.328 1.00 0.00 H new ATOM 0 HG SER A 4 -5.215 -9.568 6.191 1.00 0.00 H new ATOM 47 N ALA A 5 -4.722 -10.895 1.937 1.00 0.00 N ATOM 48 CA ALA A 5 -3.589 -11.380 1.167 1.00 0.00 C ATOM 49 C ALA A 5 -3.630 -10.769 -0.234 1.00 0.00 C ATOM 50 O ALA A 5 -2.605 -10.679 -0.908 1.00 0.00 O ATOM 51 CB ALA A 5 -3.609 -12.910 1.137 1.00 0.00 C ATOM 0 H ALA A 5 -5.376 -11.619 2.235 1.00 0.00 H new ATOM 0 HA ALA A 5 -2.651 -11.075 1.632 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -2.759 -13.274 0.559 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -3.547 -13.295 2.155 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -4.535 -13.253 0.675 1.00 0.00 H new ATOM 57 N GLU A 6 -4.827 -10.363 -0.633 1.00 0.00 N ATOM 58 CA GLU A 6 -5.016 -9.763 -1.943 1.00 0.00 C ATOM 59 C GLU A 6 -4.406 -8.360 -1.976 1.00 0.00 C ATOM 60 O GLU A 6 -3.799 -7.966 -2.971 1.00 0.00 O ATOM 61 CB GLU A 6 -6.498 -9.725 -2.320 1.00 0.00 C ATOM 62 CG GLU A 6 -6.772 -8.637 -3.361 1.00 0.00 C ATOM 63 CD GLU A 6 -6.058 -8.946 -4.678 1.00 0.00 C ATOM 64 OE1 GLU A 6 -5.147 -9.802 -4.643 1.00 0.00 O ATOM 65 OE2 GLU A 6 -6.439 -8.321 -5.691 1.00 0.00 O ATOM 0 H GLU A 6 -5.675 -10.438 -0.072 1.00 0.00 H new ATOM 0 HA GLU A 6 -4.503 -10.379 -2.681 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -6.802 -10.695 -2.714 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -7.099 -9.541 -1.429 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -7.845 -8.557 -3.535 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -6.438 -7.672 -2.980 1.00 0.00 H new ATOM 70 N LEU A 7 -4.590 -7.642 -0.877 1.00 0.00 N ATOM 71 CA LEU A 7 -4.065 -6.292 -0.768 1.00 0.00 C ATOM 72 C LEU A 7 -2.544 -6.326 -0.931 1.00 0.00 C ATOM 73 O LEU A 7 -1.961 -5.425 -1.533 1.00 0.00 O ATOM 74 CB LEU A 7 -4.529 -5.641 0.536 1.00 0.00 C ATOM 75 CG LEU A 7 -5.992 -5.196 0.580 1.00 0.00 C ATOM 76 CD1 LEU A 7 -6.395 -4.502 -0.723 1.00 0.00 C ATOM 77 CD2 LEU A 7 -6.913 -6.373 0.910 1.00 0.00 C ATOM 0 H LEU A 7 -5.096 -7.970 -0.054 1.00 0.00 H new ATOM 0 HA LEU A 7 -4.458 -5.665 -1.568 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -4.359 -6.345 1.351 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -3.900 -4.772 0.729 1.00 0.00 H new ATOM 0 HG LEU A 7 -6.102 -4.465 1.381 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -7.440 -4.196 -0.664 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -5.768 -3.624 -0.877 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.265 -5.191 -1.558 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -7.947 -6.030 0.935 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.805 -7.144 0.147 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -6.643 -6.784 1.883 1.00 0.00 H new ATOM 88 N LYS A 8 -1.945 -7.373 -0.385 1.00 0.00 N ATOM 89 CA LYS A 8 -0.503 -7.536 -0.461 1.00 0.00 C ATOM 90 C LYS A 8 -0.085 -7.645 -1.929 1.00 0.00 C ATOM 91 O LYS A 8 0.843 -6.965 -2.366 1.00 0.00 O ATOM 92 CB LYS A 8 -0.051 -8.720 0.396 1.00 0.00 C ATOM 93 CG LYS A 8 1.099 -8.319 1.321 1.00 0.00 C ATOM 94 CD LYS A 8 0.853 -8.811 2.749 1.00 0.00 C ATOM 95 CE LYS A 8 -0.465 -8.261 3.299 1.00 0.00 C ATOM 96 NZ LYS A 8 -1.411 -9.364 3.580 1.00 0.00 N ATOM 0 H LYS A 8 -2.432 -8.118 0.113 1.00 0.00 H new ATOM 0 HA LYS A 8 0.002 -6.663 -0.048 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -0.889 -9.085 0.989 1.00 0.00 H new ATOM 0 HB3 LYS A 8 0.265 -9.540 -0.248 1.00 0.00 H new ATOM 0 HG2 LYS A 8 2.034 -8.735 0.946 1.00 0.00 H new ATOM 0 HG3 LYS A 8 1.209 -7.235 1.320 1.00 0.00 H new ATOM 0 HD2 LYS A 8 0.831 -9.901 2.763 1.00 0.00 H new ATOM 0 HD3 LYS A 8 1.677 -8.501 3.391 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -0.277 -7.694 4.211 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -0.906 -7.570 2.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -2.375 -9.068 3.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -1.146 -10.199 3.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -1.377 -9.601 4.592 1.00 0.00 H new ATOM 106 N GLN A 9 -0.789 -8.504 -2.651 1.00 0.00 N ATOM 107 CA GLN A 9 -0.502 -8.711 -4.060 1.00 0.00 C ATOM 108 C GLN A 9 -0.761 -7.425 -4.847 1.00 0.00 C ATOM 109 O GLN A 9 0.025 -7.057 -5.719 1.00 0.00 O ATOM 110 CB GLN A 9 -1.323 -9.873 -4.623 1.00 0.00 C ATOM 111 CG GLN A 9 -0.412 -10.964 -5.188 1.00 0.00 C ATOM 112 CD GLN A 9 -0.114 -10.718 -6.668 1.00 0.00 C ATOM 113 OE1 GLN A 9 -0.003 -9.593 -7.126 1.00 0.00 O ATOM 114 NE2 GLN A 9 0.007 -11.829 -7.389 1.00 0.00 N ATOM 0 H GLN A 9 -1.558 -9.065 -2.286 1.00 0.00 H new ATOM 0 HA GLN A 9 0.551 -8.972 -4.162 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -1.954 -10.291 -3.839 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -1.988 -9.508 -5.406 1.00 0.00 H new ATOM 0 HG2 GLN A 9 0.521 -10.991 -4.625 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -0.886 -11.938 -5.066 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -0.098 -12.740 -6.943 1.00 0.00 H new ATOM 0 HE22 GLN A 9 0.204 -11.770 -8.388 1.00 0.00 H new ATOM 121 N MET A 10 -1.868 -6.776 -4.514 1.00 0.00 N ATOM 122 CA MET A 10 -2.241 -5.540 -5.179 1.00 0.00 C ATOM 123 C MET A 10 -1.265 -4.414 -4.829 1.00 0.00 C ATOM 124 O MET A 10 -0.810 -3.686 -5.709 1.00 0.00 O ATOM 125 CB MET A 10 -3.656 -5.140 -4.758 1.00 0.00 C ATOM 126 CG MET A 10 -4.685 -6.153 -5.262 1.00 0.00 C ATOM 127 SD MET A 10 -6.313 -5.712 -4.679 1.00 0.00 S ATOM 128 CE MET A 10 -6.276 -3.950 -4.960 1.00 0.00 C ATOM 0 H MET A 10 -2.519 -7.084 -3.791 1.00 0.00 H new ATOM 0 HA MET A 10 -2.207 -5.704 -6.256 1.00 0.00 H new ATOM 0 HB2 MET A 10 -3.710 -5.071 -3.672 1.00 0.00 H new ATOM 0 HB3 MET A 10 -3.891 -4.151 -5.152 1.00 0.00 H new ATOM 0 HG2 MET A 10 -4.675 -6.182 -6.352 1.00 0.00 H new ATOM 0 HG3 MET A 10 -4.424 -7.153 -4.914 1.00 0.00 H new ATOM 0 HE1 MET A 10 -6.259 -3.429 -4.003 1.00 0.00 H new ATOM 0 HE2 MET A 10 -5.384 -3.691 -5.530 1.00 0.00 H new ATOM 0 HE3 MET A 10 -7.163 -3.652 -5.519 1.00 0.00 H new ATOM 136 N VAL A 11 -0.974 -4.306 -3.541 1.00 0.00 N ATOM 137 CA VAL A 11 -0.061 -3.280 -3.063 1.00 0.00 C ATOM 138 C VAL A 11 1.283 -3.429 -3.777 1.00 0.00 C ATOM 139 O VAL A 11 1.940 -2.434 -4.084 1.00 0.00 O ATOM 140 CB VAL A 11 0.058 -3.355 -1.540 1.00 0.00 C ATOM 141 CG1 VAL A 11 1.416 -2.827 -1.070 1.00 0.00 C ATOM 142 CG2 VAL A 11 -1.088 -2.601 -0.862 1.00 0.00 C ATOM 0 H VAL A 11 -1.354 -4.912 -2.813 1.00 0.00 H new ATOM 0 HA VAL A 11 -0.444 -2.287 -3.296 1.00 0.00 H new ATOM 0 HB VAL A 11 -0.013 -4.403 -1.250 1.00 0.00 H new ATOM 0 HG11 VAL A 11 1.475 -2.891 0.016 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.212 -3.426 -1.513 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.529 -1.788 -1.379 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -0.979 -2.670 0.220 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.063 -1.554 -1.163 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.040 -3.041 -1.160 1.00 0.00 H new ATOM 152 N MET A 12 1.654 -4.677 -4.020 1.00 0.00 N ATOM 153 CA MET A 12 2.910 -4.968 -4.691 1.00 0.00 C ATOM 154 C MET A 12 2.974 -4.278 -6.055 1.00 0.00 C ATOM 155 O MET A 12 4.047 -4.160 -6.644 1.00 0.00 O ATOM 156 CB MET A 12 3.051 -6.480 -4.878 1.00 0.00 C ATOM 157 CG MET A 12 4.063 -7.062 -3.888 1.00 0.00 C ATOM 158 SD MET A 12 5.567 -7.504 -4.742 1.00 0.00 S ATOM 159 CE MET A 12 5.284 -9.251 -4.983 1.00 0.00 C ATOM 0 H MET A 12 1.107 -5.499 -3.764 1.00 0.00 H new ATOM 0 HA MET A 12 3.726 -4.591 -4.074 1.00 0.00 H new ATOM 0 HB2 MET A 12 2.082 -6.959 -4.738 1.00 0.00 H new ATOM 0 HB3 MET A 12 3.369 -6.696 -5.898 1.00 0.00 H new ATOM 0 HG2 MET A 12 4.279 -6.334 -3.106 1.00 0.00 H new ATOM 0 HG3 MET A 12 3.642 -7.940 -3.398 1.00 0.00 H new ATOM 0 HE1 MET A 12 6.134 -9.688 -5.507 1.00 0.00 H new ATOM 0 HE2 MET A 12 5.165 -9.737 -4.015 1.00 0.00 H new ATOM 0 HE3 MET A 12 4.380 -9.395 -5.575 1.00 0.00 H new ATOM 167 N SER A 13 1.813 -3.839 -6.516 1.00 0.00 N ATOM 168 CA SER A 13 1.725 -3.164 -7.799 1.00 0.00 C ATOM 169 C SER A 13 1.881 -1.654 -7.607 1.00 0.00 C ATOM 170 O SER A 13 2.585 -0.997 -8.373 1.00 0.00 O ATOM 171 CB SER A 13 0.398 -3.475 -8.496 1.00 0.00 C ATOM 172 OG SER A 13 0.311 -2.860 -9.779 1.00 0.00 O ATOM 0 H SER A 13 0.925 -3.938 -6.024 1.00 0.00 H new ATOM 0 HA SER A 13 2.532 -3.530 -8.434 1.00 0.00 H new ATOM 0 HB2 SER A 13 0.289 -4.554 -8.603 1.00 0.00 H new ATOM 0 HB3 SER A 13 -0.428 -3.132 -7.873 1.00 0.00 H new ATOM 0 HG SER A 13 -0.549 -3.084 -10.191 1.00 0.00 H new ATOM 177 N LEU A 14 1.213 -1.147 -6.581 1.00 0.00 N ATOM 178 CA LEU A 14 1.269 0.273 -6.280 1.00 0.00 C ATOM 179 C LEU A 14 2.704 0.773 -6.464 1.00 0.00 C ATOM 180 O LEU A 14 3.650 -0.011 -6.406 1.00 0.00 O ATOM 181 CB LEU A 14 0.697 0.548 -4.888 1.00 0.00 C ATOM 182 CG LEU A 14 -0.824 0.450 -4.757 1.00 0.00 C ATOM 183 CD1 LEU A 14 -1.477 1.826 -4.900 1.00 0.00 C ATOM 184 CD2 LEU A 14 -1.396 -0.562 -5.752 1.00 0.00 C ATOM 0 H LEU A 14 0.630 -1.695 -5.948 1.00 0.00 H new ATOM 0 HA LEU A 14 0.643 0.834 -6.974 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.148 -0.154 -4.186 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.005 1.548 -4.581 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.058 0.086 -3.757 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.558 1.728 -4.803 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.102 2.490 -4.121 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.237 2.243 -5.878 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -2.479 -0.612 -5.638 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.152 -0.251 -6.768 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.965 -1.545 -5.560 1.00 0.00 H new ATOM 195 N ARG A 15 2.820 2.074 -6.684 1.00 0.00 N ATOM 196 CA ARG A 15 4.122 2.688 -6.879 1.00 0.00 C ATOM 197 C ARG A 15 4.646 3.249 -5.555 1.00 0.00 C ATOM 198 O ARG A 15 4.050 3.027 -4.502 1.00 0.00 O ATOM 199 CB ARG A 15 4.051 3.815 -7.910 1.00 0.00 C ATOM 200 CG ARG A 15 4.471 3.318 -9.295 1.00 0.00 C ATOM 201 CD ARG A 15 5.819 3.915 -9.707 1.00 0.00 C ATOM 202 NE ARG A 15 5.727 4.474 -11.074 1.00 0.00 N ATOM 203 CZ ARG A 15 6.778 4.930 -11.770 1.00 0.00 C ATOM 204 NH1 ARG A 15 8.004 4.898 -11.233 1.00 0.00 N ATOM 205 NH2 ARG A 15 6.601 5.419 -13.006 1.00 0.00 N ATOM 0 H ARG A 15 2.033 2.721 -6.732 1.00 0.00 H new ATOM 0 HA ARG A 15 4.801 1.918 -7.246 1.00 0.00 H new ATOM 0 HB2 ARG A 15 3.036 4.209 -7.954 1.00 0.00 H new ATOM 0 HB3 ARG A 15 4.699 4.636 -7.602 1.00 0.00 H new ATOM 0 HG2 ARG A 15 4.537 2.230 -9.290 1.00 0.00 H new ATOM 0 HG3 ARG A 15 3.711 3.588 -10.028 1.00 0.00 H new ATOM 0 HD2 ARG A 15 6.110 4.696 -9.005 1.00 0.00 H new ATOM 0 HD3 ARG A 15 6.593 3.148 -9.670 1.00 0.00 H new ATOM 0 HE ARG A 15 4.808 4.515 -11.514 1.00 0.00 H new ATOM 0 HH11 ARG A 15 8.139 4.526 -10.293 1.00 0.00 H new ATOM 0 HH12 ARG A 15 8.803 5.245 -11.764 1.00 0.00 H new ATOM 0 HH21 ARG A 15 5.667 5.444 -13.416 1.00 0.00 H new ATOM 0 HH22 ARG A 15 7.400 5.766 -13.536 1.00 0.00 H new ATOM 216 N VAL A 16 5.756 3.966 -5.652 1.00 0.00 N ATOM 217 CA VAL A 16 6.368 4.561 -4.475 1.00 0.00 C ATOM 218 C VAL A 16 5.459 5.667 -3.937 1.00 0.00 C ATOM 219 O VAL A 16 5.201 5.734 -2.735 1.00 0.00 O ATOM 220 CB VAL A 16 7.777 5.056 -4.811 1.00 0.00 C ATOM 221 CG1 VAL A 16 8.201 6.184 -3.869 1.00 0.00 C ATOM 222 CG2 VAL A 16 8.785 3.905 -4.778 1.00 0.00 C ATOM 0 H VAL A 16 6.248 4.149 -6.527 1.00 0.00 H new ATOM 0 HA VAL A 16 6.479 3.818 -3.685 1.00 0.00 H new ATOM 0 HB VAL A 16 7.759 5.456 -5.825 1.00 0.00 H new ATOM 0 HG11 VAL A 16 9.206 6.517 -4.129 1.00 0.00 H new ATOM 0 HG12 VAL A 16 7.506 7.018 -3.964 1.00 0.00 H new ATOM 0 HG13 VAL A 16 8.194 5.822 -2.841 1.00 0.00 H new ATOM 0 HG21 VAL A 16 9.778 4.284 -5.020 1.00 0.00 H new ATOM 0 HG22 VAL A 16 8.799 3.462 -3.782 1.00 0.00 H new ATOM 0 HG23 VAL A 16 8.497 3.148 -5.508 1.00 0.00 H new ATOM 232 N SER A 17 4.997 6.507 -4.851 1.00 0.00 N ATOM 233 CA SER A 17 4.120 7.606 -4.483 1.00 0.00 C ATOM 234 C SER A 17 2.868 7.068 -3.789 1.00 0.00 C ATOM 235 O SER A 17 2.381 7.664 -2.830 1.00 0.00 O ATOM 236 CB SER A 17 3.733 8.436 -5.709 1.00 0.00 C ATOM 237 OG SER A 17 4.155 9.791 -5.591 1.00 0.00 O ATOM 0 H SER A 17 5.213 6.449 -5.846 1.00 0.00 H new ATOM 0 HA SER A 17 4.658 8.256 -3.793 1.00 0.00 H new ATOM 0 HB2 SER A 17 4.178 7.994 -6.601 1.00 0.00 H new ATOM 0 HB3 SER A 17 2.652 8.403 -5.842 1.00 0.00 H new ATOM 0 HG SER A 17 3.891 10.287 -6.394 1.00 0.00 H new ATOM 242 N GLU A 18 2.382 5.946 -4.301 1.00 0.00 N ATOM 243 CA GLU A 18 1.196 5.321 -3.743 1.00 0.00 C ATOM 244 C GLU A 18 1.517 4.691 -2.385 1.00 0.00 C ATOM 245 O GLU A 18 0.780 4.882 -1.419 1.00 0.00 O ATOM 246 CB GLU A 18 0.618 4.282 -4.706 1.00 0.00 C ATOM 247 CG GLU A 18 -0.024 4.959 -5.919 1.00 0.00 C ATOM 248 CD GLU A 18 0.819 4.740 -7.177 1.00 0.00 C ATOM 249 OE1 GLU A 18 0.973 3.561 -7.561 1.00 0.00 O ATOM 250 OE2 GLU A 18 1.292 5.759 -7.728 1.00 0.00 O ATOM 0 H GLU A 18 2.789 5.454 -5.097 1.00 0.00 H new ATOM 0 HA GLU A 18 0.439 6.091 -3.595 1.00 0.00 H new ATOM 0 HB2 GLU A 18 1.408 3.608 -5.037 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -0.124 3.674 -4.189 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.027 4.561 -6.074 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.131 6.027 -5.730 1.00 0.00 H new ATOM 255 N LEU A 19 2.617 3.953 -2.357 1.00 0.00 N ATOM 256 CA LEU A 19 3.044 3.293 -1.135 1.00 0.00 C ATOM 257 C LEU A 19 3.256 4.342 -0.043 1.00 0.00 C ATOM 258 O LEU A 19 2.927 4.108 1.119 1.00 0.00 O ATOM 259 CB LEU A 19 4.274 2.422 -1.398 1.00 0.00 C ATOM 260 CG LEU A 19 4.067 1.237 -2.344 1.00 0.00 C ATOM 261 CD1 LEU A 19 5.313 0.994 -3.198 1.00 0.00 C ATOM 262 CD2 LEU A 19 3.648 -0.015 -1.571 1.00 0.00 C ATOM 0 H LEU A 19 3.225 3.798 -3.161 1.00 0.00 H new ATOM 0 HA LEU A 19 2.271 2.612 -0.779 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.062 3.055 -1.807 1.00 0.00 H new ATOM 0 HB3 LEU A 19 4.635 2.040 -0.443 1.00 0.00 H new ATOM 0 HG LEU A 19 3.252 1.482 -3.026 1.00 0.00 H new ATOM 0 HD11 LEU A 19 5.140 0.147 -3.861 1.00 0.00 H new ATOM 0 HD12 LEU A 19 5.526 1.883 -3.792 1.00 0.00 H new ATOM 0 HD13 LEU A 19 6.162 0.779 -2.549 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.507 -0.842 -2.267 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.424 -0.275 -0.851 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.714 0.178 -1.044 1.00 0.00 H new ATOM 273 N GLN A 20 3.805 5.476 -0.453 1.00 0.00 N ATOM 274 CA GLN A 20 4.064 6.562 0.477 1.00 0.00 C ATOM 275 C GLN A 20 2.759 7.030 1.125 1.00 0.00 C ATOM 276 O GLN A 20 2.708 7.256 2.333 1.00 0.00 O ATOM 277 CB GLN A 20 4.777 7.722 -0.221 1.00 0.00 C ATOM 278 CG GLN A 20 6.240 7.377 -0.505 1.00 0.00 C ATOM 279 CD GLN A 20 7.175 8.454 0.047 1.00 0.00 C ATOM 280 OE1 GLN A 20 6.842 9.625 0.117 1.00 0.00 O ATOM 281 NE2 GLN A 20 8.362 7.994 0.433 1.00 0.00 N ATOM 0 H GLN A 20 4.078 5.666 -1.417 1.00 0.00 H new ATOM 0 HA GLN A 20 4.723 6.193 1.262 1.00 0.00 H new ATOM 0 HB2 GLN A 20 4.267 7.957 -1.155 1.00 0.00 H new ATOM 0 HB3 GLN A 20 4.725 8.614 0.404 1.00 0.00 H new ATOM 0 HG2 GLN A 20 6.484 6.414 -0.056 1.00 0.00 H new ATOM 0 HG3 GLN A 20 6.391 7.275 -1.580 1.00 0.00 H new ATOM 0 HE21 GLN A 20 8.576 7.001 0.347 1.00 0.00 H new ATOM 0 HE22 GLN A 20 9.058 8.635 0.815 1.00 0.00 H new ATOM 288 N VAL A 21 1.737 7.160 0.293 1.00 0.00 N ATOM 289 CA VAL A 21 0.435 7.597 0.770 1.00 0.00 C ATOM 290 C VAL A 21 -0.075 6.610 1.821 1.00 0.00 C ATOM 291 O VAL A 21 -0.672 7.013 2.818 1.00 0.00 O ATOM 292 CB VAL A 21 -0.525 7.763 -0.409 1.00 0.00 C ATOM 293 CG1 VAL A 21 -1.546 6.625 -0.450 1.00 0.00 C ATOM 294 CG2 VAL A 21 -1.223 9.124 -0.360 1.00 0.00 C ATOM 0 H VAL A 21 1.783 6.971 -0.708 1.00 0.00 H new ATOM 0 HA VAL A 21 0.511 8.573 1.250 1.00 0.00 H new ATOM 0 HB VAL A 21 0.062 7.720 -1.327 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.216 6.768 -1.298 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.026 5.673 -0.555 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.125 6.622 0.474 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -1.900 9.217 -1.209 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -1.790 9.209 0.567 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.477 9.917 -0.403 1.00 0.00 H new ATOM 304 N LEU A 22 0.179 5.335 1.563 1.00 0.00 N ATOM 305 CA LEU A 22 -0.247 4.288 2.476 1.00 0.00 C ATOM 306 C LEU A 22 0.363 4.540 3.856 1.00 0.00 C ATOM 307 O LEU A 22 -0.331 4.458 4.869 1.00 0.00 O ATOM 308 CB LEU A 22 0.083 2.909 1.900 1.00 0.00 C ATOM 309 CG LEU A 22 -0.504 2.599 0.522 1.00 0.00 C ATOM 310 CD1 LEU A 22 -0.312 1.125 0.163 1.00 0.00 C ATOM 311 CD2 LEU A 22 -1.972 3.021 0.444 1.00 0.00 C ATOM 0 H LEU A 22 0.674 5.004 0.735 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.330 4.307 2.598 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.167 2.812 1.841 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.267 2.151 2.601 1.00 0.00 H new ATOM 0 HG LEU A 22 0.039 3.184 -0.220 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.738 0.932 -0.821 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.752 0.889 0.150 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.813 0.502 0.904 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.365 2.790 -0.546 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -2.546 2.482 1.198 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.053 4.093 0.625 1.00 0.00 H new ATOM 322 N LEU A 23 1.653 4.842 3.852 1.00 0.00 N ATOM 323 CA LEU A 23 2.363 5.106 5.091 1.00 0.00 C ATOM 324 C LEU A 23 1.969 6.489 5.615 1.00 0.00 C ATOM 325 O LEU A 23 1.652 6.643 6.794 1.00 0.00 O ATOM 326 CB LEU A 23 3.871 4.932 4.893 1.00 0.00 C ATOM 327 CG LEU A 23 4.339 3.523 4.526 1.00 0.00 C ATOM 328 CD1 LEU A 23 3.309 2.474 4.950 1.00 0.00 C ATOM 329 CD2 LEU A 23 4.676 3.426 3.036 1.00 0.00 C ATOM 0 H LEU A 23 2.225 4.910 3.010 1.00 0.00 H new ATOM 0 HA LEU A 23 2.079 4.381 5.854 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.196 5.617 4.110 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.375 5.234 5.811 1.00 0.00 H new ATOM 0 HG LEU A 23 5.256 3.315 5.077 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.667 1.481 4.677 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.163 2.523 6.029 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.362 2.669 4.446 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.006 2.414 2.803 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.791 3.664 2.446 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.472 4.131 2.796 1.00 0.00 H new ATOM 340 N GLY A 24 2.000 7.460 4.714 1.00 0.00 N ATOM 341 CA GLY A 24 1.650 8.823 5.070 1.00 0.00 C ATOM 342 C GLY A 24 0.243 8.889 5.670 1.00 0.00 C ATOM 343 O GLY A 24 0.032 9.536 6.694 1.00 0.00 O ATOM 0 H GLY A 24 2.263 7.329 3.737 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.373 9.213 5.786 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.702 9.459 4.186 1.00 0.00 H new ATOM 347 N TYR A 25 -0.681 8.210 5.006 1.00 0.00 N ATOM 348 CA TYR A 25 -2.061 8.185 5.461 1.00 0.00 C ATOM 349 C TYR A 25 -2.196 7.381 6.756 1.00 0.00 C ATOM 350 O TYR A 25 -3.135 7.586 7.523 1.00 0.00 O ATOM 351 CB TYR A 25 -2.855 7.484 4.356 1.00 0.00 C ATOM 352 CG TYR A 25 -4.365 7.453 4.601 1.00 0.00 C ATOM 353 CD1 TYR A 25 -5.023 8.597 5.005 1.00 0.00 C ATOM 354 CD2 TYR A 25 -5.070 6.280 4.418 1.00 0.00 C ATOM 355 CE1 TYR A 25 -6.445 8.567 5.234 1.00 0.00 C ATOM 356 CE2 TYR A 25 -6.491 6.250 4.649 1.00 0.00 C ATOM 357 CZ TYR A 25 -7.108 7.395 5.045 1.00 0.00 C ATOM 358 OH TYR A 25 -8.450 7.368 5.262 1.00 0.00 O ATOM 0 H TYR A 25 -0.501 7.673 4.157 1.00 0.00 H new ATOM 0 HA TYR A 25 -2.419 9.195 5.658 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -2.661 7.986 3.408 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -2.492 6.461 4.255 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -4.472 9.515 5.149 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -4.556 5.385 4.102 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -6.973 9.455 5.549 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -7.054 5.339 4.511 1.00 0.00 H new ATOM 0 HH TYR A 25 -8.829 6.555 4.866 1.00 0.00 H new ATOM 367 N ALA A 26 -1.243 6.484 6.960 1.00 0.00 N ATOM 368 CA ALA A 26 -1.244 5.649 8.149 1.00 0.00 C ATOM 369 C ALA A 26 -0.340 6.280 9.211 1.00 0.00 C ATOM 370 O ALA A 26 -0.257 5.785 10.335 1.00 0.00 O ATOM 371 CB ALA A 26 -0.804 4.231 7.778 1.00 0.00 C ATOM 0 H ALA A 26 -0.465 6.317 6.322 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.248 5.580 8.568 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.805 3.605 8.670 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.494 3.817 7.043 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.201 4.260 7.356 1.00 0.00 H new ATOM 377 N GLY A 27 0.314 7.363 8.818 1.00 0.00 N ATOM 378 CA GLY A 27 1.207 8.067 9.721 1.00 0.00 C ATOM 379 C GLY A 27 2.627 7.505 9.636 1.00 0.00 C ATOM 380 O GLY A 27 3.589 8.179 10.002 1.00 0.00 O ATOM 0 H GLY A 27 0.243 7.770 7.885 1.00 0.00 H new ATOM 0 HA2 GLY A 27 1.217 9.129 9.474 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.838 7.981 10.743 1.00 0.00 H new ATOM 384 N ARG A 28 2.715 6.275 9.151 1.00 0.00 N ATOM 385 CA ARG A 28 4.002 5.614 9.014 1.00 0.00 C ATOM 386 C ARG A 28 4.985 6.520 8.271 1.00 0.00 C ATOM 387 O ARG A 28 4.577 7.374 7.485 1.00 0.00 O ATOM 388 CB ARG A 28 3.863 4.292 8.257 1.00 0.00 C ATOM 389 CG ARG A 28 3.634 3.128 9.222 1.00 0.00 C ATOM 390 CD ARG A 28 2.535 3.463 10.233 1.00 0.00 C ATOM 391 NE ARG A 28 2.343 2.330 11.167 1.00 0.00 N ATOM 392 CZ ARG A 28 1.278 2.188 11.967 1.00 0.00 C ATOM 393 NH1 ARG A 28 0.303 3.107 11.953 1.00 0.00 N ATOM 394 NH2 ARG A 28 1.189 1.128 12.781 1.00 0.00 N ATOM 0 H ARG A 28 1.916 5.719 8.848 1.00 0.00 H new ATOM 0 HA ARG A 28 4.379 5.407 10.016 1.00 0.00 H new ATOM 0 HB2 ARG A 28 3.031 4.356 7.556 1.00 0.00 H new ATOM 0 HB3 ARG A 28 4.762 4.110 7.669 1.00 0.00 H new ATOM 0 HG2 ARG A 28 3.358 2.235 8.661 1.00 0.00 H new ATOM 0 HG3 ARG A 28 4.561 2.900 9.749 1.00 0.00 H new ATOM 0 HD2 ARG A 28 2.802 4.362 10.789 1.00 0.00 H new ATOM 0 HD3 ARG A 28 1.602 3.677 9.711 1.00 0.00 H new ATOM 0 HE ARG A 28 3.067 1.613 11.203 1.00 0.00 H new ATOM 0 HH11 ARG A 28 0.372 3.914 11.333 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -0.508 2.999 12.562 1.00 0.00 H new ATOM 0 HH21 ARG A 28 1.932 0.429 12.792 1.00 0.00 H new ATOM 0 HH22 ARG A 28 0.378 1.020 13.390 1.00 0.00 H new ATOM 405 N ASN A 29 6.263 6.302 8.545 1.00 0.00 N ATOM 406 CA ASN A 29 7.310 7.087 7.912 1.00 0.00 C ATOM 407 C ASN A 29 7.538 6.573 6.490 1.00 0.00 C ATOM 408 O ASN A 29 7.532 5.365 6.255 1.00 0.00 O ATOM 409 CB ASN A 29 8.629 6.965 8.678 1.00 0.00 C ATOM 410 CG ASN A 29 9.668 7.951 8.139 1.00 0.00 C ATOM 411 OD1 ASN A 29 10.719 7.577 7.645 1.00 0.00 O ATOM 412 ND2 ASN A 29 9.317 9.228 8.262 1.00 0.00 N ATOM 0 H ASN A 29 6.597 5.593 9.197 1.00 0.00 H new ATOM 0 HA ASN A 29 6.993 8.130 7.905 1.00 0.00 H new ATOM 0 HB2 ASN A 29 8.457 7.155 9.738 1.00 0.00 H new ATOM 0 HB3 ASN A 29 9.010 5.947 8.594 1.00 0.00 H new ATOM 0 HD21 ASN A 29 9.943 9.963 7.933 1.00 0.00 H new ATOM 0 HD22 ASN A 29 8.422 9.472 8.685 1.00 0.00 H new ATOM 418 N LYS A 30 7.735 7.513 5.579 1.00 0.00 N ATOM 419 CA LYS A 30 7.966 7.170 4.186 1.00 0.00 C ATOM 420 C LYS A 30 9.199 7.921 3.677 1.00 0.00 C ATOM 421 O LYS A 30 9.156 9.135 3.486 1.00 0.00 O ATOM 422 CB LYS A 30 6.706 7.424 3.356 1.00 0.00 C ATOM 423 CG LYS A 30 6.348 8.911 3.343 1.00 0.00 C ATOM 424 CD LYS A 30 4.912 9.133 3.823 1.00 0.00 C ATOM 425 CE LYS A 30 4.367 10.472 3.320 1.00 0.00 C ATOM 426 NZ LYS A 30 3.472 10.264 2.160 1.00 0.00 N ATOM 0 H LYS A 30 7.740 8.513 5.778 1.00 0.00 H new ATOM 0 HA LYS A 30 8.177 6.105 4.086 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.862 7.075 2.335 1.00 0.00 H new ATOM 0 HB3 LYS A 30 5.875 6.850 3.765 1.00 0.00 H new ATOM 0 HG2 LYS A 30 7.038 9.461 3.983 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.464 9.308 2.334 1.00 0.00 H new ATOM 0 HD2 LYS A 30 4.277 8.321 3.469 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.881 9.110 4.912 1.00 0.00 H new ATOM 0 HE2 LYS A 30 3.824 10.974 4.121 1.00 0.00 H new ATOM 0 HE3 LYS A 30 5.193 11.125 3.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 2.708 10.970 2.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 4.016 10.366 1.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 3.062 9.309 2.205 1.00 0.00 H new ATOM 436 N HIS A 31 10.269 7.166 3.473 1.00 0.00 N ATOM 437 CA HIS A 31 11.511 7.744 2.991 1.00 0.00 C ATOM 438 C HIS A 31 12.538 6.634 2.762 1.00 0.00 C ATOM 439 O HIS A 31 13.383 6.379 3.619 1.00 0.00 O ATOM 440 CB HIS A 31 12.013 8.829 3.946 1.00 0.00 C ATOM 441 CG HIS A 31 11.804 10.237 3.442 1.00 0.00 C ATOM 442 ND1 HIS A 31 10.901 11.114 4.017 1.00 0.00 N ATOM 443 CD2 HIS A 31 12.391 10.910 2.410 1.00 0.00 C ATOM 444 CE1 HIS A 31 10.950 12.259 3.354 1.00 0.00 C ATOM 445 NE2 HIS A 31 11.873 12.131 2.358 1.00 0.00 N ATOM 0 H HIS A 31 10.301 6.159 3.633 1.00 0.00 H new ATOM 0 HA HIS A 31 11.340 8.236 2.034 1.00 0.00 H new ATOM 0 HB2 HIS A 31 11.505 8.718 4.904 1.00 0.00 H new ATOM 0 HB3 HIS A 31 13.076 8.674 4.129 1.00 0.00 H new ATOM 0 HD2 HIS A 31 13.148 10.516 1.748 1.00 0.00 H new ATOM 0 HE1 HIS A 31 10.362 13.140 3.565 1.00 0.00 H new ATOM 0 HE2 HIS A 31 12.124 12.854 1.684 1.00 0.00 H new ATOM 452 N GLY A 32 12.434 6.005 1.601 1.00 0.00 N ATOM 453 CA GLY A 32 13.343 4.928 1.247 1.00 0.00 C ATOM 454 C GLY A 32 13.082 4.434 -0.176 1.00 0.00 C ATOM 455 O GLY A 32 12.431 5.117 -0.965 1.00 0.00 O ATOM 0 H GLY A 32 11.733 6.221 0.892 1.00 0.00 H new ATOM 0 HA2 GLY A 32 14.373 5.274 1.332 1.00 0.00 H new ATOM 0 HA3 GLY A 32 13.225 4.103 1.949 1.00 0.00 H new ATOM 459 N ARG A 33 13.601 3.249 -0.463 1.00 0.00 N ATOM 460 CA ARG A 33 13.432 2.655 -1.777 1.00 0.00 C ATOM 461 C ARG A 33 12.073 1.958 -1.874 1.00 0.00 C ATOM 462 O ARG A 33 11.412 1.736 -0.860 1.00 0.00 O ATOM 463 CB ARG A 33 14.539 1.640 -2.070 1.00 0.00 C ATOM 464 CG ARG A 33 15.420 2.110 -3.230 1.00 0.00 C ATOM 465 CD ARG A 33 16.206 0.942 -3.829 1.00 0.00 C ATOM 466 NE ARG A 33 17.544 0.858 -3.200 1.00 0.00 N ATOM 467 CZ ARG A 33 18.287 -0.257 -3.162 1.00 0.00 C ATOM 468 NH1 ARG A 33 17.827 -1.388 -3.713 1.00 0.00 N ATOM 469 NH2 ARG A 33 19.489 -0.240 -2.570 1.00 0.00 N ATOM 0 H ARG A 33 14.139 2.684 0.194 1.00 0.00 H new ATOM 0 HA ARG A 33 13.486 3.458 -2.512 1.00 0.00 H new ATOM 0 HB2 ARG A 33 15.150 1.496 -1.179 1.00 0.00 H new ATOM 0 HB3 ARG A 33 14.097 0.674 -2.313 1.00 0.00 H new ATOM 0 HG2 ARG A 33 14.800 2.569 -4.000 1.00 0.00 H new ATOM 0 HG3 ARG A 33 16.111 2.876 -2.879 1.00 0.00 H new ATOM 0 HD2 ARG A 33 15.663 0.010 -3.674 1.00 0.00 H new ATOM 0 HD3 ARG A 33 16.309 1.076 -4.906 1.00 0.00 H new ATOM 0 HE ARG A 33 17.924 1.701 -2.769 1.00 0.00 H new ATOM 0 HH11 ARG A 33 16.911 -1.401 -4.162 1.00 0.00 H new ATOM 0 HH12 ARG A 33 18.393 -2.236 -3.684 1.00 0.00 H new ATOM 0 HH21 ARG A 33 19.838 0.621 -2.149 1.00 0.00 H new ATOM 0 HH22 ARG A 33 20.055 -1.088 -2.541 1.00 0.00 H new ATOM 480 N LYS A 34 11.697 1.632 -3.101 1.00 0.00 N ATOM 481 CA LYS A 34 10.429 0.966 -3.343 1.00 0.00 C ATOM 482 C LYS A 34 10.341 -0.287 -2.468 1.00 0.00 C ATOM 483 O LYS A 34 9.311 -0.543 -1.846 1.00 0.00 O ATOM 484 CB LYS A 34 10.247 0.685 -4.837 1.00 0.00 C ATOM 485 CG LYS A 34 9.028 -0.206 -5.083 1.00 0.00 C ATOM 486 CD LYS A 34 7.738 0.619 -5.090 1.00 0.00 C ATOM 487 CE LYS A 34 7.453 1.178 -6.485 1.00 0.00 C ATOM 488 NZ LYS A 34 6.849 0.138 -7.347 1.00 0.00 N ATOM 0 H LYS A 34 12.248 1.817 -3.939 1.00 0.00 H new ATOM 0 HA LYS A 34 9.599 1.614 -3.060 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.129 1.625 -5.376 1.00 0.00 H new ATOM 0 HB3 LYS A 34 11.141 0.201 -5.231 1.00 0.00 H new ATOM 0 HG2 LYS A 34 9.138 -0.724 -6.036 1.00 0.00 H new ATOM 0 HG3 LYS A 34 8.970 -0.971 -4.309 1.00 0.00 H new ATOM 0 HD2 LYS A 34 6.903 -0.002 -4.766 1.00 0.00 H new ATOM 0 HD3 LYS A 34 7.822 1.438 -4.376 1.00 0.00 H new ATOM 0 HE2 LYS A 34 6.780 2.032 -6.410 1.00 0.00 H new ATOM 0 HE3 LYS A 34 8.378 1.539 -6.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 6.941 0.418 -8.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 7.339 -0.767 -7.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 5.842 0.031 -7.108 1.00 0.00 H new ATOM 498 N HIS A 35 11.435 -1.034 -2.449 1.00 0.00 N ATOM 499 CA HIS A 35 11.494 -2.253 -1.659 1.00 0.00 C ATOM 500 C HIS A 35 11.267 -1.921 -0.184 1.00 0.00 C ATOM 501 O HIS A 35 10.522 -2.616 0.505 1.00 0.00 O ATOM 502 CB HIS A 35 12.809 -2.995 -1.905 1.00 0.00 C ATOM 503 CG HIS A 35 12.787 -4.442 -1.476 1.00 0.00 C ATOM 504 ND1 HIS A 35 13.150 -5.480 -2.317 1.00 0.00 N ATOM 505 CD2 HIS A 35 12.443 -5.015 -0.286 1.00 0.00 C ATOM 506 CE1 HIS A 35 13.026 -6.620 -1.654 1.00 0.00 C ATOM 507 NE2 HIS A 35 12.587 -6.329 -0.395 1.00 0.00 N ATOM 0 H HIS A 35 12.287 -0.819 -2.967 1.00 0.00 H new ATOM 0 HA HIS A 35 10.698 -2.930 -1.968 1.00 0.00 H new ATOM 0 HB2 HIS A 35 13.049 -2.945 -2.967 1.00 0.00 H new ATOM 0 HB3 HIS A 35 13.609 -2.481 -1.373 1.00 0.00 H new ATOM 0 HD2 HIS A 35 12.110 -4.488 0.596 1.00 0.00 H new ATOM 0 HE1 HIS A 35 13.235 -7.606 -2.042 1.00 0.00 H new ATOM 0 HE2 HIS A 35 12.400 -7.010 0.341 1.00 0.00 H new ATOM 514 N GLU A 36 11.923 -0.858 0.259 1.00 0.00 N ATOM 515 CA GLU A 36 11.802 -0.425 1.641 1.00 0.00 C ATOM 516 C GLU A 36 10.380 0.064 1.920 1.00 0.00 C ATOM 517 O GLU A 36 9.805 -0.248 2.963 1.00 0.00 O ATOM 518 CB GLU A 36 12.829 0.660 1.967 1.00 0.00 C ATOM 519 CG GLU A 36 14.254 0.109 1.883 1.00 0.00 C ATOM 520 CD GLU A 36 14.787 -0.248 3.272 1.00 0.00 C ATOM 521 OE1 GLU A 36 14.210 -1.175 3.880 1.00 0.00 O ATOM 522 OE2 GLU A 36 15.759 0.414 3.695 1.00 0.00 O ATOM 0 H GLU A 36 12.540 -0.284 -0.315 1.00 0.00 H new ATOM 0 HA GLU A 36 12.006 -1.278 2.289 1.00 0.00 H new ATOM 0 HB2 GLU A 36 12.716 1.493 1.273 1.00 0.00 H new ATOM 0 HB3 GLU A 36 12.645 1.051 2.968 1.00 0.00 H new ATOM 0 HG2 GLU A 36 14.269 -0.775 1.246 1.00 0.00 H new ATOM 0 HG3 GLU A 36 14.907 0.848 1.418 1.00 0.00 H new ATOM 527 N LEU A 37 9.852 0.824 0.972 1.00 0.00 N ATOM 528 CA LEU A 37 8.507 1.360 1.103 1.00 0.00 C ATOM 529 C LEU A 37 7.500 0.209 1.079 1.00 0.00 C ATOM 530 O LEU A 37 6.516 0.225 1.817 1.00 0.00 O ATOM 531 CB LEU A 37 8.249 2.426 0.037 1.00 0.00 C ATOM 532 CG LEU A 37 8.819 3.817 0.326 1.00 0.00 C ATOM 533 CD1 LEU A 37 8.776 4.698 -0.923 1.00 0.00 C ATOM 534 CD2 LEU A 37 8.103 4.466 1.512 1.00 0.00 C ATOM 0 H LEU A 37 10.331 1.082 0.109 1.00 0.00 H new ATOM 0 HA LEU A 37 8.390 1.866 2.061 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.664 2.074 -0.908 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.172 2.518 -0.103 1.00 0.00 H new ATOM 0 HG LEU A 37 9.867 3.706 0.604 1.00 0.00 H new ATOM 0 HD11 LEU A 37 9.187 5.680 -0.690 1.00 0.00 H new ATOM 0 HD12 LEU A 37 9.367 4.236 -1.714 1.00 0.00 H new ATOM 0 HD13 LEU A 37 7.744 4.806 -1.257 1.00 0.00 H new ATOM 0 HD21 LEU A 37 8.527 5.453 1.697 1.00 0.00 H new ATOM 0 HD22 LEU A 37 7.041 4.563 1.287 1.00 0.00 H new ATOM 0 HD23 LEU A 37 8.231 3.845 2.398 1.00 0.00 H new ATOM 545 N LEU A 38 7.780 -0.762 0.222 1.00 0.00 N ATOM 546 CA LEU A 38 6.910 -1.919 0.092 1.00 0.00 C ATOM 547 C LEU A 38 6.802 -2.625 1.445 1.00 0.00 C ATOM 548 O LEU A 38 5.711 -3.017 1.859 1.00 0.00 O ATOM 549 CB LEU A 38 7.393 -2.828 -1.040 1.00 0.00 C ATOM 550 CG LEU A 38 6.465 -2.944 -2.250 1.00 0.00 C ATOM 551 CD1 LEU A 38 6.830 -1.916 -3.322 1.00 0.00 C ATOM 552 CD2 LEU A 38 6.460 -4.371 -2.802 1.00 0.00 C ATOM 0 H LEU A 38 8.597 -0.771 -0.389 1.00 0.00 H new ATOM 0 HA LEU A 38 5.903 -1.609 -0.187 1.00 0.00 H new ATOM 0 HB2 LEU A 38 8.361 -2.464 -1.383 1.00 0.00 H new ATOM 0 HB3 LEU A 38 7.554 -3.827 -0.634 1.00 0.00 H new ATOM 0 HG LEU A 38 5.449 -2.721 -1.924 1.00 0.00 H new ATOM 0 HD11 LEU A 38 6.155 -2.020 -4.171 1.00 0.00 H new ATOM 0 HD12 LEU A 38 6.740 -0.912 -2.908 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.856 -2.082 -3.652 1.00 0.00 H new ATOM 0 HD21 LEU A 38 5.792 -4.426 -3.662 1.00 0.00 H new ATOM 0 HD22 LEU A 38 7.469 -4.646 -3.108 1.00 0.00 H new ATOM 0 HD23 LEU A 38 6.115 -5.059 -2.030 1.00 0.00 H new ATOM 563 N THR A 39 7.946 -2.764 2.097 1.00 0.00 N ATOM 564 CA THR A 39 7.994 -3.417 3.394 1.00 0.00 C ATOM 565 C THR A 39 7.165 -2.634 4.415 1.00 0.00 C ATOM 566 O THR A 39 6.527 -3.224 5.286 1.00 0.00 O ATOM 567 CB THR A 39 9.463 -3.570 3.793 1.00 0.00 C ATOM 568 OG1 THR A 39 9.947 -4.606 2.943 1.00 0.00 O ATOM 569 CG2 THR A 39 9.630 -4.137 5.205 1.00 0.00 C ATOM 0 H THR A 39 8.848 -2.435 1.751 1.00 0.00 H new ATOM 0 HA THR A 39 7.549 -4.411 3.353 1.00 0.00 H new ATOM 0 HB THR A 39 9.959 -2.602 3.730 1.00 0.00 H new ATOM 0 HG1 THR A 39 10.218 -4.223 2.082 1.00 0.00 H new ATOM 0 HG21 THR A 39 10.691 -4.226 5.438 1.00 0.00 H new ATOM 0 HG22 THR A 39 9.155 -3.469 5.924 1.00 0.00 H new ATOM 0 HG23 THR A 39 9.163 -5.120 5.260 1.00 0.00 H new ATOM 577 N LYS A 40 7.201 -1.317 4.273 1.00 0.00 N ATOM 578 CA LYS A 40 6.462 -0.447 5.173 1.00 0.00 C ATOM 579 C LYS A 40 4.962 -0.676 4.978 1.00 0.00 C ATOM 580 O LYS A 40 4.210 -0.753 5.949 1.00 0.00 O ATOM 581 CB LYS A 40 6.892 1.009 4.983 1.00 0.00 C ATOM 582 CG LYS A 40 8.355 1.205 5.383 1.00 0.00 C ATOM 583 CD LYS A 40 8.570 2.582 6.015 1.00 0.00 C ATOM 584 CE LYS A 40 9.842 3.240 5.476 1.00 0.00 C ATOM 585 NZ LYS A 40 11.034 2.440 5.839 1.00 0.00 N ATOM 0 H LYS A 40 7.730 -0.831 3.549 1.00 0.00 H new ATOM 0 HA LYS A 40 6.690 -0.689 6.211 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.754 1.300 3.942 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.257 1.661 5.583 1.00 0.00 H new ATOM 0 HG2 LYS A 40 8.651 0.427 6.087 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.993 1.100 4.506 1.00 0.00 H new ATOM 0 HD2 LYS A 40 7.711 3.220 5.808 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.639 2.482 7.098 1.00 0.00 H new ATOM 0 HE2 LYS A 40 9.778 3.336 4.392 1.00 0.00 H new ATOM 0 HE3 LYS A 40 9.936 4.248 5.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 11.894 2.951 5.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 11.047 2.284 6.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 10.999 1.523 5.350 1.00 0.00 H new ATOM 595 N ALA A 41 4.571 -0.780 3.716 1.00 0.00 N ATOM 596 CA ALA A 41 3.173 -0.998 3.381 1.00 0.00 C ATOM 597 C ALA A 41 2.757 -2.397 3.840 1.00 0.00 C ATOM 598 O ALA A 41 1.687 -2.571 4.422 1.00 0.00 O ATOM 599 CB ALA A 41 2.970 -0.792 1.879 1.00 0.00 C ATOM 0 H ALA A 41 5.197 -0.717 2.913 1.00 0.00 H new ATOM 0 HA ALA A 41 2.537 -0.279 3.897 1.00 0.00 H new ATOM 0 HB1 ALA A 41 1.922 -0.955 1.628 1.00 0.00 H new ATOM 0 HB2 ALA A 41 3.253 0.226 1.610 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.590 -1.499 1.328 1.00 0.00 H new ATOM 605 N LEU A 42 3.624 -3.359 3.560 1.00 0.00 N ATOM 606 CA LEU A 42 3.359 -4.737 3.936 1.00 0.00 C ATOM 607 C LEU A 42 3.342 -4.851 5.462 1.00 0.00 C ATOM 608 O LEU A 42 2.442 -5.468 6.032 1.00 0.00 O ATOM 609 CB LEU A 42 4.359 -5.679 3.262 1.00 0.00 C ATOM 610 CG LEU A 42 4.339 -5.693 1.731 1.00 0.00 C ATOM 611 CD1 LEU A 42 4.538 -7.112 1.195 1.00 0.00 C ATOM 612 CD2 LEU A 42 3.058 -5.052 1.195 1.00 0.00 C ATOM 0 H LEU A 42 4.510 -3.211 3.077 1.00 0.00 H new ATOM 0 HA LEU A 42 2.376 -5.045 3.581 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.362 -5.407 3.590 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.171 -6.692 3.618 1.00 0.00 H new ATOM 0 HG LEU A 42 5.174 -5.092 1.371 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.520 -7.095 0.105 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.498 -7.498 1.536 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.738 -7.755 1.561 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.068 -5.074 0.105 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.193 -5.606 1.561 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.998 -4.018 1.536 1.00 0.00 H new ATOM 623 N HIS A 43 4.345 -4.246 6.080 1.00 0.00 N ATOM 624 CA HIS A 43 4.456 -4.271 7.529 1.00 0.00 C ATOM 625 C HIS A 43 3.239 -3.583 8.148 1.00 0.00 C ATOM 626 O HIS A 43 2.836 -3.910 9.264 1.00 0.00 O ATOM 627 CB HIS A 43 5.781 -3.655 7.983 1.00 0.00 C ATOM 628 CG HIS A 43 6.136 -3.952 9.420 1.00 0.00 C ATOM 629 ND1 HIS A 43 6.545 -2.974 10.309 1.00 0.00 N ATOM 630 CD2 HIS A 43 6.138 -5.128 10.112 1.00 0.00 C ATOM 631 CE1 HIS A 43 6.781 -3.546 11.481 1.00 0.00 C ATOM 632 NE2 HIS A 43 6.528 -4.880 11.357 1.00 0.00 N ATOM 0 H HIS A 43 5.089 -3.735 5.604 1.00 0.00 H new ATOM 0 HA HIS A 43 4.464 -5.303 7.879 1.00 0.00 H new ATOM 0 HB2 HIS A 43 6.580 -4.022 7.339 1.00 0.00 H new ATOM 0 HB3 HIS A 43 5.733 -2.575 7.847 1.00 0.00 H new ATOM 0 HD2 HIS A 43 5.868 -6.096 9.715 1.00 0.00 H new ATOM 0 HE1 HIS A 43 7.115 -3.044 12.377 1.00 0.00 H new ATOM 0 HE2 HIS A 43 6.623 -5.574 12.099 1.00 0.00 H new ATOM 639 N LEU A 44 2.686 -2.641 7.399 1.00 0.00 N ATOM 640 CA LEU A 44 1.523 -1.903 7.861 1.00 0.00 C ATOM 641 C LEU A 44 0.370 -2.879 8.109 1.00 0.00 C ATOM 642 O LEU A 44 -0.353 -2.752 9.095 1.00 0.00 O ATOM 643 CB LEU A 44 1.177 -0.780 6.881 1.00 0.00 C ATOM 644 CG LEU A 44 1.529 0.638 7.335 1.00 0.00 C ATOM 645 CD1 LEU A 44 0.856 1.683 6.441 1.00 0.00 C ATOM 646 CD2 LEU A 44 1.186 0.842 8.812 1.00 0.00 C ATOM 0 H LEU A 44 3.022 -2.372 6.474 1.00 0.00 H new ATOM 0 HA LEU A 44 1.736 -1.412 8.811 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.689 -0.976 5.939 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.107 -0.820 6.677 1.00 0.00 H new ATOM 0 HG LEU A 44 2.606 0.772 7.233 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.123 2.682 6.785 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.192 1.552 5.412 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.226 1.560 6.488 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.446 1.858 9.109 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.118 0.682 8.963 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.749 0.132 9.418 1.00 0.00 H new ATOM 657 N LEU A 45 0.237 -3.831 7.197 1.00 0.00 N ATOM 658 CA LEU A 45 -0.815 -4.828 7.305 1.00 0.00 C ATOM 659 C LEU A 45 -0.584 -5.672 8.560 1.00 0.00 C ATOM 660 O LEU A 45 -1.501 -5.870 9.356 1.00 0.00 O ATOM 661 CB LEU A 45 -0.906 -5.650 6.018 1.00 0.00 C ATOM 662 CG LEU A 45 -1.329 -4.886 4.762 1.00 0.00 C ATOM 663 CD1 LEU A 45 -0.268 -5.003 3.666 1.00 0.00 C ATOM 664 CD2 LEU A 45 -2.706 -5.347 4.278 1.00 0.00 C ATOM 0 H LEU A 45 0.840 -3.933 6.380 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.787 -4.348 7.419 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.067 -6.105 5.832 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.613 -6.464 6.179 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.414 -3.830 5.017 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.593 -4.451 2.784 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.674 -4.589 4.026 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.128 -6.052 3.406 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.983 -4.788 3.384 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.672 -6.411 4.045 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.445 -5.170 5.060 1.00 0.00 H new ATOM 675 N LYS A 46 0.645 -6.147 8.698 1.00 0.00 N ATOM 676 CA LYS A 46 1.007 -6.965 9.842 1.00 0.00 C ATOM 677 C LYS A 46 1.008 -6.098 11.104 1.00 0.00 C ATOM 678 O LYS A 46 0.862 -6.610 12.213 1.00 0.00 O ATOM 679 CB LYS A 46 2.334 -7.683 9.589 1.00 0.00 C ATOM 680 CG LYS A 46 2.363 -9.044 10.290 1.00 0.00 C ATOM 681 CD LYS A 46 2.936 -10.122 9.368 1.00 0.00 C ATOM 682 CE LYS A 46 1.833 -11.055 8.863 1.00 0.00 C ATOM 683 NZ LYS A 46 1.461 -12.032 9.911 1.00 0.00 N ATOM 0 H LYS A 46 1.403 -5.981 8.036 1.00 0.00 H new ATOM 0 HA LYS A 46 0.269 -7.752 9.996 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.480 -7.819 8.517 1.00 0.00 H new ATOM 0 HB3 LYS A 46 3.159 -7.067 9.948 1.00 0.00 H new ATOM 0 HG2 LYS A 46 2.965 -8.978 11.196 1.00 0.00 H new ATOM 0 HG3 LYS A 46 1.354 -9.321 10.597 1.00 0.00 H new ATOM 0 HD2 LYS A 46 3.436 -9.653 8.521 1.00 0.00 H new ATOM 0 HD3 LYS A 46 3.690 -10.700 9.903 1.00 0.00 H new ATOM 0 HE2 LYS A 46 0.959 -10.472 8.575 1.00 0.00 H new ATOM 0 HE3 LYS A 46 2.173 -11.581 7.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 0.712 -12.657 9.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 2.293 -12.601 10.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 1.116 -11.525 10.751 1.00 0.00 H new ATOM 693 N ALA A 47 1.175 -4.801 10.892 1.00 0.00 N ATOM 694 CA ALA A 47 1.197 -3.859 11.997 1.00 0.00 C ATOM 695 C ALA A 47 -0.234 -3.426 12.322 1.00 0.00 C ATOM 696 O ALA A 47 -0.444 -2.487 13.088 1.00 0.00 O ATOM 697 CB ALA A 47 2.098 -2.674 11.641 1.00 0.00 C ATOM 0 H ALA A 47 1.296 -4.380 9.971 1.00 0.00 H new ATOM 0 HA ALA A 47 1.611 -4.326 12.891 1.00 0.00 H new ATOM 0 HB1 ALA A 47 2.114 -1.967 12.471 1.00 0.00 H new ATOM 0 HB2 ALA A 47 3.110 -3.031 11.449 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.713 -2.179 10.750 1.00 0.00 H new ATOM 703 N GLY A 48 -1.182 -4.132 11.722 1.00 0.00 N ATOM 704 CA GLY A 48 -2.588 -3.834 11.938 1.00 0.00 C ATOM 705 C GLY A 48 -3.001 -2.568 11.184 1.00 0.00 C ATOM 706 O GLY A 48 -2.880 -1.462 11.707 1.00 0.00 O ATOM 0 H GLY A 48 -1.004 -4.910 11.086 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -3.197 -4.675 11.606 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -2.777 -3.705 13.004 1.00 0.00 H new ATOM 710 N CYS A 49 -3.481 -2.774 9.966 1.00 0.00 N ATOM 711 CA CYS A 49 -3.912 -1.664 9.134 1.00 0.00 C ATOM 712 C CYS A 49 -5.441 -1.678 9.069 1.00 0.00 C ATOM 713 O CYS A 49 -6.041 -2.694 8.723 1.00 0.00 O ATOM 714 CB CYS A 49 -3.282 -1.721 7.742 1.00 0.00 C ATOM 715 SG CYS A 49 -4.102 -3.011 6.736 1.00 0.00 S ATOM 0 H CYS A 49 -3.581 -3.693 9.536 1.00 0.00 H new ATOM 0 HA CYS A 49 -3.576 -0.725 9.574 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -3.375 -0.752 7.252 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -2.216 -1.935 7.825 1.00 0.00 H new ATOM 0 HG CYS A 49 -5.236 -3.333 7.284 1.00 0.00 H new ATOM 720 N SER A 50 -6.028 -0.539 9.408 1.00 0.00 N ATOM 721 CA SER A 50 -7.474 -0.408 9.392 1.00 0.00 C ATOM 722 C SER A 50 -8.009 -0.677 7.983 1.00 0.00 C ATOM 723 O SER A 50 -7.235 -0.802 7.035 1.00 0.00 O ATOM 724 CB SER A 50 -7.907 0.980 9.867 1.00 0.00 C ATOM 725 OG SER A 50 -8.594 0.927 11.115 1.00 0.00 O ATOM 0 H SER A 50 -5.527 0.302 9.695 1.00 0.00 H new ATOM 0 HA SER A 50 -7.891 -1.144 10.079 1.00 0.00 H new ATOM 0 HB2 SER A 50 -7.030 1.620 9.963 1.00 0.00 H new ATOM 0 HB3 SER A 50 -8.553 1.435 9.116 1.00 0.00 H new ATOM 0 HG SER A 50 -8.852 1.833 11.385 1.00 0.00 H new ATOM 730 N PRO A 51 -9.363 -0.759 7.889 1.00 0.00 N ATOM 731 CA PRO A 51 -10.010 -1.010 6.612 1.00 0.00 C ATOM 732 C PRO A 51 -9.989 0.241 5.731 1.00 0.00 C ATOM 733 O PRO A 51 -10.270 0.166 4.536 1.00 0.00 O ATOM 734 CB PRO A 51 -11.417 -1.464 6.967 1.00 0.00 C ATOM 735 CG PRO A 51 -11.654 -1.007 8.396 1.00 0.00 C ATOM 736 CD PRO A 51 -10.310 -0.615 8.990 1.00 0.00 C ATOM 0 HA PRO A 51 -9.497 -1.770 6.023 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -12.151 -1.026 6.290 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -11.511 -2.547 6.882 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -12.342 -0.162 8.417 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -12.112 -1.805 8.981 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -10.327 0.408 9.367 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -10.044 -1.259 9.828 1.00 0.00 H new ATOM 741 N ALA A 52 -9.654 1.360 6.356 1.00 0.00 N ATOM 742 CA ALA A 52 -9.593 2.624 5.644 1.00 0.00 C ATOM 743 C ALA A 52 -8.394 2.613 4.694 1.00 0.00 C ATOM 744 O ALA A 52 -8.477 3.125 3.578 1.00 0.00 O ATOM 745 CB ALA A 52 -9.528 3.775 6.650 1.00 0.00 C ATOM 0 H ALA A 52 -9.422 1.417 7.348 1.00 0.00 H new ATOM 0 HA ALA A 52 -10.490 2.767 5.041 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -9.482 4.724 6.115 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -10.416 3.757 7.281 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -8.639 3.666 7.271 1.00 0.00 H new ATOM 751 N VAL A 53 -7.308 2.023 5.170 1.00 0.00 N ATOM 752 CA VAL A 53 -6.094 1.938 4.376 1.00 0.00 C ATOM 753 C VAL A 53 -6.237 0.810 3.353 1.00 0.00 C ATOM 754 O VAL A 53 -5.779 0.934 2.217 1.00 0.00 O ATOM 755 CB VAL A 53 -4.882 1.763 5.293 1.00 0.00 C ATOM 756 CG1 VAL A 53 -3.600 2.238 4.604 1.00 0.00 C ATOM 757 CG2 VAL A 53 -5.089 2.489 6.623 1.00 0.00 C ATOM 0 H VAL A 53 -7.243 1.599 6.095 1.00 0.00 H new ATOM 0 HA VAL A 53 -5.935 2.862 3.820 1.00 0.00 H new ATOM 0 HB VAL A 53 -4.775 0.699 5.506 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -2.754 2.103 5.277 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.438 1.657 3.696 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -3.694 3.293 4.347 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.212 2.348 7.255 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -5.235 3.553 6.438 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.967 2.084 7.126 1.00 0.00 H new ATOM 767 N GLN A 54 -6.875 -0.266 3.790 1.00 0.00 N ATOM 768 CA GLN A 54 -7.084 -1.415 2.925 1.00 0.00 C ATOM 769 C GLN A 54 -7.892 -1.010 1.691 1.00 0.00 C ATOM 770 O GLN A 54 -7.543 -1.374 0.569 1.00 0.00 O ATOM 771 CB GLN A 54 -7.773 -2.552 3.683 1.00 0.00 C ATOM 772 CG GLN A 54 -6.881 -3.080 4.808 1.00 0.00 C ATOM 773 CD GLN A 54 -7.550 -4.250 5.534 1.00 0.00 C ATOM 774 OE1 GLN A 54 -7.966 -5.221 4.727 1.00 0.00 O flip ATOM 775 NE2 GLN A 54 -7.678 -4.269 6.747 1.00 0.00 N flip ATOM 0 H GLN A 54 -7.254 -0.366 4.732 1.00 0.00 H new ATOM 0 HA GLN A 54 -6.111 -1.779 2.594 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -8.717 -2.198 4.098 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -8.012 -3.361 2.993 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -5.924 -3.401 4.398 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -6.671 -2.279 5.517 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -7.335 -3.489 7.308 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -8.128 -5.065 7.200 1.00 0.00 H new ATOM 782 N MET A 55 -8.958 -0.262 1.939 1.00 0.00 N ATOM 783 CA MET A 55 -9.818 0.195 0.862 1.00 0.00 C ATOM 784 C MET A 55 -9.087 1.197 -0.036 1.00 0.00 C ATOM 785 O MET A 55 -9.322 1.242 -1.242 1.00 0.00 O ATOM 786 CB MET A 55 -11.068 0.854 1.449 1.00 0.00 C ATOM 787 CG MET A 55 -11.905 -0.160 2.233 1.00 0.00 C ATOM 788 SD MET A 55 -12.879 -1.146 1.107 1.00 0.00 S ATOM 789 CE MET A 55 -14.451 -1.115 1.951 1.00 0.00 C ATOM 0 H MET A 55 -9.245 0.038 2.871 1.00 0.00 H new ATOM 0 HA MET A 55 -10.101 -0.668 0.259 1.00 0.00 H new ATOM 0 HB2 MET A 55 -10.777 1.675 2.104 1.00 0.00 H new ATOM 0 HB3 MET A 55 -11.668 1.284 0.647 1.00 0.00 H new ATOM 0 HG2 MET A 55 -11.253 -0.804 2.823 1.00 0.00 H new ATOM 0 HG3 MET A 55 -12.559 0.359 2.934 1.00 0.00 H new ATOM 0 HE1 MET A 55 -15.182 -1.688 1.380 1.00 0.00 H new ATOM 0 HE2 MET A 55 -14.340 -1.554 2.943 1.00 0.00 H new ATOM 0 HE3 MET A 55 -14.792 -0.084 2.047 1.00 0.00 H new ATOM 797 N LYS A 56 -8.216 1.976 0.589 1.00 0.00 N ATOM 798 CA LYS A 56 -7.450 2.974 -0.138 1.00 0.00 C ATOM 799 C LYS A 56 -6.572 2.278 -1.179 1.00 0.00 C ATOM 800 O LYS A 56 -6.240 2.863 -2.208 1.00 0.00 O ATOM 801 CB LYS A 56 -6.668 3.860 0.834 1.00 0.00 C ATOM 802 CG LYS A 56 -6.148 5.117 0.132 1.00 0.00 C ATOM 803 CD LYS A 56 -7.262 6.153 -0.032 1.00 0.00 C ATOM 804 CE LYS A 56 -7.565 6.848 1.297 1.00 0.00 C ATOM 805 NZ LYS A 56 -8.122 8.199 1.062 1.00 0.00 N ATOM 0 H LYS A 56 -8.024 1.936 1.590 1.00 0.00 H new ATOM 0 HA LYS A 56 -8.116 3.645 -0.681 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -7.309 4.144 1.669 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -5.831 3.299 1.251 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -5.328 5.547 0.708 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -5.746 4.852 -0.846 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -6.968 6.894 -0.775 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -8.163 5.667 -0.406 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -8.273 6.252 1.873 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -6.654 6.922 1.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -8.322 8.656 1.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -7.434 8.771 0.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -9.003 8.121 0.514 1.00 0.00 H new ATOM 815 N ILE A 57 -6.219 1.037 -0.874 1.00 0.00 N ATOM 816 CA ILE A 57 -5.384 0.255 -1.770 1.00 0.00 C ATOM 817 C ILE A 57 -6.135 0.019 -3.082 1.00 0.00 C ATOM 818 O ILE A 57 -5.547 0.092 -4.160 1.00 0.00 O ATOM 819 CB ILE A 57 -4.923 -1.033 -1.086 1.00 0.00 C ATOM 820 CG1 ILE A 57 -4.078 -0.724 0.152 1.00 0.00 C ATOM 821 CG2 ILE A 57 -4.187 -1.944 -2.069 1.00 0.00 C ATOM 822 CD1 ILE A 57 -4.099 -1.895 1.136 1.00 0.00 C ATOM 0 H ILE A 57 -6.496 0.554 -0.019 1.00 0.00 H new ATOM 0 HA ILE A 57 -4.473 0.801 -2.016 1.00 0.00 H new ATOM 0 HB ILE A 57 -5.806 -1.574 -0.747 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -3.051 -0.514 -0.147 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -4.457 0.173 0.641 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.870 -2.852 -1.556 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -4.853 -2.205 -2.892 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.312 -1.425 -2.461 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -3.491 -1.650 2.007 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -5.125 -2.086 1.452 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -3.697 -2.785 0.652 1.00 0.00 H new ATOM 833 N LYS A 58 -7.423 -0.258 -2.949 1.00 0.00 N ATOM 834 CA LYS A 58 -8.260 -0.505 -4.111 1.00 0.00 C ATOM 835 C LYS A 58 -8.336 0.765 -4.959 1.00 0.00 C ATOM 836 O LYS A 58 -8.298 0.699 -6.186 1.00 0.00 O ATOM 837 CB LYS A 58 -9.629 -1.039 -3.680 1.00 0.00 C ATOM 838 CG LYS A 58 -9.485 -2.334 -2.878 1.00 0.00 C ATOM 839 CD LYS A 58 -10.840 -2.804 -2.346 1.00 0.00 C ATOM 840 CE LYS A 58 -11.259 -4.122 -2.999 1.00 0.00 C ATOM 841 NZ LYS A 58 -12.511 -4.626 -2.393 1.00 0.00 N ATOM 0 H LYS A 58 -7.908 -0.317 -2.054 1.00 0.00 H new ATOM 0 HA LYS A 58 -7.822 -1.282 -4.738 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -10.143 -0.289 -3.078 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -10.247 -1.219 -4.560 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -9.049 -3.109 -3.508 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -8.799 -2.176 -2.046 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -10.786 -2.931 -1.265 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -11.595 -2.042 -2.540 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -11.400 -3.975 -4.070 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -10.467 -4.861 -2.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -12.781 -5.521 -2.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -12.365 -4.785 -1.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -13.269 -3.926 -2.529 1.00 0.00 H new ATOM 851 N GLU A 59 -8.440 1.892 -4.271 1.00 0.00 N ATOM 852 CA GLU A 59 -8.521 3.177 -4.947 1.00 0.00 C ATOM 853 C GLU A 59 -7.173 3.527 -5.583 1.00 0.00 C ATOM 854 O GLU A 59 -7.115 3.909 -6.751 1.00 0.00 O ATOM 855 CB GLU A 59 -8.975 4.275 -3.984 1.00 0.00 C ATOM 856 CG GLU A 59 -10.127 3.789 -3.102 1.00 0.00 C ATOM 857 CD GLU A 59 -11.237 4.840 -3.023 1.00 0.00 C ATOM 858 OE1 GLU A 59 -10.883 6.031 -2.888 1.00 0.00 O ATOM 859 OE2 GLU A 59 -12.414 4.427 -3.101 1.00 0.00 O ATOM 0 H GLU A 59 -8.470 1.943 -3.253 1.00 0.00 H new ATOM 0 HA GLU A 59 -9.266 3.104 -5.739 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -8.138 4.583 -3.358 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -9.290 5.152 -4.549 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -10.530 2.859 -3.503 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -9.756 3.570 -2.101 1.00 0.00 H new ATOM 864 N LEU A 60 -6.124 3.385 -4.786 1.00 0.00 N ATOM 865 CA LEU A 60 -4.782 3.682 -5.256 1.00 0.00 C ATOM 866 C LEU A 60 -4.406 2.698 -6.365 1.00 0.00 C ATOM 867 O LEU A 60 -3.801 3.085 -7.364 1.00 0.00 O ATOM 868 CB LEU A 60 -3.796 3.697 -4.087 1.00 0.00 C ATOM 869 CG LEU A 60 -4.004 4.801 -3.047 1.00 0.00 C ATOM 870 CD1 LEU A 60 -3.463 4.376 -1.681 1.00 0.00 C ATOM 871 CD2 LEU A 60 -3.392 6.122 -3.520 1.00 0.00 C ATOM 0 H LEU A 60 -6.177 3.068 -3.818 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.742 4.682 -5.689 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -3.849 2.733 -3.580 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.787 3.790 -4.490 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.075 4.965 -2.932 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.623 5.178 -0.961 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.984 3.479 -1.347 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.396 4.168 -1.761 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.554 6.890 -2.763 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.322 5.990 -3.681 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.864 6.428 -4.454 1.00 0.00 H new ATOM 882 N TYR A 61 -4.778 1.444 -6.152 1.00 0.00 N ATOM 883 CA TYR A 61 -4.487 0.402 -7.122 1.00 0.00 C ATOM 884 C TYR A 61 -5.290 0.609 -8.407 1.00 0.00 C ATOM 885 O TYR A 61 -4.823 0.274 -9.495 1.00 0.00 O ATOM 886 CB TYR A 61 -4.921 -0.913 -6.470 1.00 0.00 C ATOM 887 CG TYR A 61 -4.790 -2.133 -7.384 1.00 0.00 C ATOM 888 CD1 TYR A 61 -3.557 -2.721 -7.579 1.00 0.00 C ATOM 889 CD2 TYR A 61 -5.906 -2.645 -8.014 1.00 0.00 C ATOM 890 CE1 TYR A 61 -3.434 -3.869 -8.439 1.00 0.00 C ATOM 891 CE2 TYR A 61 -5.784 -3.795 -8.873 1.00 0.00 C ATOM 892 CZ TYR A 61 -4.554 -4.349 -9.044 1.00 0.00 C ATOM 893 OH TYR A 61 -4.438 -5.433 -9.856 1.00 0.00 O ATOM 0 H TYR A 61 -5.278 1.126 -5.322 1.00 0.00 H new ATOM 0 HA TYR A 61 -3.430 0.409 -7.387 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -4.323 -1.077 -5.574 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -5.959 -0.822 -6.148 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -2.684 -2.320 -7.086 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -6.871 -2.184 -7.863 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -2.475 -4.338 -8.600 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -6.650 -4.208 -9.370 1.00 0.00 H new ATOM 0 HH TYR A 61 -5.318 -5.666 -10.219 1.00 0.00 H new ATOM 902 N ARG A 62 -6.483 1.161 -8.240 1.00 0.00 N ATOM 903 CA ARG A 62 -7.354 1.418 -9.374 1.00 0.00 C ATOM 904 C ARG A 62 -6.875 2.651 -10.143 1.00 0.00 C ATOM 905 O ARG A 62 -6.665 2.588 -11.354 1.00 0.00 O ATOM 906 CB ARG A 62 -8.798 1.638 -8.919 1.00 0.00 C ATOM 907 CG ARG A 62 -9.551 0.308 -8.821 1.00 0.00 C ATOM 908 CD ARG A 62 -10.923 0.405 -9.492 1.00 0.00 C ATOM 909 NE ARG A 62 -10.781 0.261 -10.957 1.00 0.00 N ATOM 910 CZ ARG A 62 -10.617 -0.911 -11.585 1.00 0.00 C ATOM 911 NH1 ARG A 62 -10.573 -2.049 -10.879 1.00 0.00 N ATOM 912 NH2 ARG A 62 -10.498 -0.945 -12.920 1.00 0.00 N ATOM 0 H ARG A 62 -6.867 1.437 -7.336 1.00 0.00 H new ATOM 0 HA ARG A 62 -7.319 0.544 -10.025 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -8.806 2.137 -7.950 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -9.308 2.298 -9.621 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -8.966 -0.481 -9.293 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -9.673 0.031 -7.774 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -11.582 -0.372 -9.104 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -11.386 1.363 -9.256 1.00 0.00 H new ATOM 0 HE ARG A 62 -10.810 1.108 -11.525 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -10.664 -2.023 -9.863 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -10.448 -2.941 -11.357 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -10.532 -0.079 -13.457 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -10.373 -1.837 -13.398 1.00 0.00 H new ATOM 923 N ARG A 63 -6.717 3.742 -9.409 1.00 0.00 N ATOM 924 CA ARG A 63 -6.267 4.987 -10.008 1.00 0.00 C ATOM 925 C ARG A 63 -5.021 4.746 -10.863 1.00 0.00 C ATOM 926 O ARG A 63 -4.749 5.498 -11.797 1.00 0.00 O ATOM 927 CB ARG A 63 -5.947 6.030 -8.935 1.00 0.00 C ATOM 928 CG ARG A 63 -7.225 6.549 -8.276 1.00 0.00 C ATOM 929 CD ARG A 63 -6.929 7.152 -6.901 1.00 0.00 C ATOM 930 NE ARG A 63 -7.570 8.481 -6.781 1.00 0.00 N ATOM 931 CZ ARG A 63 -7.208 9.556 -7.494 1.00 0.00 C ATOM 932 NH1 ARG A 63 -6.208 9.466 -8.381 1.00 0.00 N ATOM 933 NH2 ARG A 63 -7.846 10.721 -7.318 1.00 0.00 N ATOM 0 H ARG A 63 -6.892 3.790 -8.405 1.00 0.00 H new ATOM 0 HA ARG A 63 -7.075 5.364 -10.636 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -5.296 5.591 -8.179 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -5.401 6.861 -9.382 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -7.688 7.301 -8.915 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -7.942 5.734 -8.173 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -7.297 6.490 -6.118 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -5.852 7.245 -6.760 1.00 0.00 H new ATOM 0 HE ARG A 63 -8.335 8.585 -6.114 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -5.722 8.579 -8.514 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -5.933 10.284 -8.924 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -8.607 10.789 -6.642 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -7.571 11.540 -7.860 1.00 0.00 H new ATOM 944 N ARG A 64 -4.297 3.694 -10.512 1.00 0.00 N ATOM 945 CA ARG A 64 -3.086 3.344 -11.235 1.00 0.00 C ATOM 946 C ARG A 64 -3.416 3.010 -12.691 1.00 0.00 C ATOM 947 O ARG A 64 -2.616 3.273 -13.588 1.00 0.00 O ATOM 948 CB ARG A 64 -2.386 2.145 -10.590 1.00 0.00 C ATOM 949 CG ARG A 64 -1.278 2.604 -9.641 1.00 0.00 C ATOM 950 CD ARG A 64 0.103 2.381 -10.262 1.00 0.00 C ATOM 951 NE ARG A 64 0.788 3.679 -10.449 1.00 0.00 N ATOM 952 CZ ARG A 64 0.597 4.485 -11.503 1.00 0.00 C ATOM 953 NH1 ARG A 64 -0.261 4.131 -12.470 1.00 0.00 N ATOM 954 NH2 ARG A 64 1.263 5.645 -11.589 1.00 0.00 N ATOM 0 H ARG A 64 -4.525 3.072 -9.736 1.00 0.00 H new ATOM 0 HA ARG A 64 -2.417 4.204 -11.198 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -3.114 1.546 -10.043 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -1.964 1.505 -11.365 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -1.409 3.660 -9.407 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -1.350 2.058 -8.701 1.00 0.00 H new ATOM 0 HD2 ARG A 64 0.700 1.734 -9.619 1.00 0.00 H new ATOM 0 HD3 ARG A 64 0.002 1.872 -11.221 1.00 0.00 H new ATOM 0 HE ARG A 64 1.447 3.979 -9.731 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -0.768 3.249 -12.404 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -0.407 4.744 -13.272 1.00 0.00 H new ATOM 0 HH21 ARG A 64 1.915 5.914 -10.852 1.00 0.00 H new ATOM 0 HH22 ARG A 64 1.118 6.258 -12.391 1.00 0.00 H new ATOM 965 N PHE A 65 -4.595 2.437 -12.882 1.00 0.00 N ATOM 966 CA PHE A 65 -5.040 2.065 -14.214 1.00 0.00 C ATOM 967 C PHE A 65 -5.030 3.273 -15.153 1.00 0.00 C ATOM 968 O PHE A 65 -5.923 3.424 -15.984 1.00 0.00 O ATOM 969 CB PHE A 65 -6.474 1.550 -14.079 1.00 0.00 C ATOM 970 CG PHE A 65 -6.581 0.172 -13.422 1.00 0.00 C ATOM 971 CD1 PHE A 65 -5.906 -0.886 -13.948 1.00 0.00 C ATOM 972 CD2 PHE A 65 -7.353 0.004 -12.315 1.00 0.00 C ATOM 973 CE1 PHE A 65 -6.007 -2.164 -13.339 1.00 0.00 C ATOM 974 CE2 PHE A 65 -7.452 -1.274 -11.706 1.00 0.00 C ATOM 975 CZ PHE A 65 -6.778 -2.332 -12.230 1.00 0.00 C ATOM 0 H PHE A 65 -5.256 2.221 -12.136 1.00 0.00 H new ATOM 0 HA PHE A 65 -4.374 1.309 -14.631 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -7.053 2.266 -13.495 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -6.928 1.505 -15.069 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -5.294 -0.753 -14.828 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -7.891 0.843 -11.899 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -5.472 -3.004 -13.756 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -8.063 -1.406 -10.826 1.00 0.00 H new ATOM 0 HZ PHE A 65 -6.854 -3.305 -11.767 1.00 0.00 H new TER 984 PHE A 65