USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 842 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: 2 11 CYS SG : rot -138:sc= -19! USER MOD Set 1.2: 2 37 CYS SG : rot 162:sc= -10.8! USER MOD Single : 1 1 GLU N :NH3+ -164:sc= 0 (180deg=-0.218) USER MOD Single : 1 3 TYR OH : rot 180:sc= 0 USER MOD Single : 1 7 SER OG : rot -67:sc= 0.807 USER MOD Single : 1 9 ASN : amide:sc= -0.989 K(o=-0.99,f=-0.14) USER MOD Single : 1 10 GLN : amide:sc= -26.7! C(o=-27!,f=-30!) USER MOD Single : 1 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 23 TYR OH : rot -51:sc= 0.729 USER MOD Single : 1 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : 1 27 THR OG1 : rot 62:sc= 0.0179 USER MOD Single : 1 29 LYS NZ :NH3+ -153:sc= 0.107 (180deg=0.00361) USER MOD Single : 1 32 ASN : amide:sc= -2.03 K(o=-2,f=-0.1) USER MOD Single : 1 33 ASN : amide:sc= -0.0198 K(o=-0.02,f=-1.4) USER MOD Single : 1 40 SER OG : rot -46:sc= -0.283 USER MOD Single : 1 50 LYS NZ :NH3+ -169:sc= -1.03 (180deg=-1.17) USER MOD Single : 1 53 GLN : amide:sc= -12.6! C(o=-13!,f=-18!) USER MOD Single : 1 58 THR OG1 : rot -140:sc= -0.657 USER MOD Single : 2 1 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 2 3 TYR OH : rot -83:sc= 0.766 USER MOD Single : 2 7 SER OG : rot -160:sc= -0.25 USER MOD Single : 2 9 ASN : amide:sc= -0.234 X(o=-0.23,f=-0.2) USER MOD Single : 2 10 GLN : amide:sc= -10.8! C(o=-11!,f=-9.1!) USER MOD Single : 2 16 LYS NZ :NH3+ 166:sc= -0.0905 (180deg=-0.282) USER MOD Single : 2 23 TYR OH : rot 180:sc= -0.978 USER MOD Single : 2 25 HIS : no HD1:sc= -0.179 X(o=-0.18,f=-0.39) USER MOD Single : 2 27 THR OG1 : rot 180:sc= -0.199 USER MOD Single : 2 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 2 32 ASN : amide:sc= -1.09 K(o=-1.1,f=-0.036) USER MOD Single : 2 33 ASN : amide:sc= -0.258 K(o=-0.26,f=-2.6!) USER MOD Single : 2 40 SER OG : rot 180:sc= -0.0696 USER MOD Single : 2 50 LYS NZ :NH3+ -159:sc= -3.06! (180deg=-3.67!) USER MOD Single : 2 53 GLN : amide:sc= -16.8! C(o=-17!,f=-25!) USER MOD Single : 2 58 THR OG1 : rot 180:sc= -1.5! USER MOD ----------------------------------------------------------------- ATOM 1 N GLU 1 1 -12.874 -14.010 -5.715 1.00 0.00 N ATOM 2 CA GLU 1 1 -13.976 -13.074 -5.855 1.00 0.00 C ATOM 3 C GLU 1 1 -14.419 -12.567 -4.481 1.00 0.00 C ATOM 4 O GLU 1 1 -14.737 -11.389 -4.323 1.00 0.00 O ATOM 5 CB GLU 1 1 -15.145 -13.713 -6.607 1.00 0.00 C ATOM 6 CG GLU 1 1 -14.897 -13.702 -8.117 1.00 0.00 C ATOM 7 CD GLU 1 1 -16.071 -14.332 -8.871 1.00 0.00 C ATOM 8 OE1 GLU 1 1 -16.664 -15.278 -8.308 1.00 0.00 O ATOM 9 OE2 GLU 1 1 -16.349 -13.853 -9.991 1.00 0.00 O ATOM 0 H1 GLU 1 1 -12.408 -14.138 -6.636 1.00 0.00 H new ATOM 0 H2 GLU 1 1 -12.187 -13.638 -5.028 1.00 0.00 H new ATOM 0 H3 GLU 1 1 -13.237 -14.926 -5.380 1.00 0.00 H new ATOM 0 HA GLU 1 1 -13.632 -12.222 -6.441 1.00 0.00 H new ATOM 0 HB2 GLU 1 1 -15.285 -14.739 -6.265 1.00 0.00 H new ATOM 0 HB3 GLU 1 1 -16.065 -13.174 -6.382 1.00 0.00 H new ATOM 0 HG2 GLU 1 1 -14.750 -12.677 -8.457 1.00 0.00 H new ATOM 0 HG3 GLU 1 1 -13.981 -14.248 -8.343 1.00 0.00 H new ATOM 16 N GLU 1 2 -14.427 -13.481 -3.523 1.00 0.00 N ATOM 17 CA GLU 1 2 -14.826 -13.142 -2.168 1.00 0.00 C ATOM 18 C GLU 1 2 -13.728 -12.327 -1.479 1.00 0.00 C ATOM 19 O GLU 1 2 -12.975 -12.858 -0.665 1.00 0.00 O ATOM 20 CB GLU 1 2 -15.162 -14.399 -1.363 1.00 0.00 C ATOM 21 CG GLU 1 2 -16.252 -14.113 -0.328 1.00 0.00 C ATOM 22 CD GLU 1 2 -17.308 -15.220 -0.325 1.00 0.00 C ATOM 23 OE1 GLU 1 2 -17.065 -16.233 0.367 1.00 0.00 O ATOM 24 OE2 GLU 1 2 -18.333 -15.029 -1.013 1.00 0.00 O ATOM 0 H GLU 1 2 -14.163 -14.457 -3.658 1.00 0.00 H new ATOM 0 HA GLU 1 2 -15.728 -12.532 -2.219 1.00 0.00 H new ATOM 0 HB2 GLU 1 2 -15.494 -15.189 -2.037 1.00 0.00 H new ATOM 0 HB3 GLU 1 2 -14.266 -14.764 -0.861 1.00 0.00 H new ATOM 0 HG2 GLU 1 2 -15.805 -14.029 0.663 1.00 0.00 H new ATOM 0 HG3 GLU 1 2 -16.724 -13.155 -0.547 1.00 0.00 H new ATOM 31 N TYR 1 3 -13.673 -11.052 -1.833 1.00 0.00 N ATOM 32 CA TYR 1 3 -12.679 -10.159 -1.260 1.00 0.00 C ATOM 33 C TYR 1 3 -12.299 -10.599 0.155 1.00 0.00 C ATOM 34 O TYR 1 3 -12.863 -10.112 1.134 1.00 0.00 O ATOM 35 CB TYR 1 3 -13.340 -8.781 -1.192 1.00 0.00 C ATOM 36 CG TYR 1 3 -14.047 -8.365 -2.484 1.00 0.00 C ATOM 37 CD1 TYR 1 3 -13.307 -8.066 -3.610 1.00 0.00 C ATOM 38 CD2 TYR 1 3 -15.424 -8.292 -2.523 1.00 0.00 C ATOM 39 CE1 TYR 1 3 -13.972 -7.674 -4.825 1.00 0.00 C ATOM 40 CE2 TYR 1 3 -16.090 -7.900 -3.739 1.00 0.00 C ATOM 41 CZ TYR 1 3 -15.331 -7.611 -4.830 1.00 0.00 C ATOM 42 OH TYR 1 3 -15.959 -7.242 -5.979 1.00 0.00 O ATOM 0 H TYR 1 3 -14.300 -10.615 -2.509 1.00 0.00 H new ATOM 0 HA TYR 1 3 -11.771 -10.158 -1.862 1.00 0.00 H new ATOM 0 HB2 TYR 1 3 -14.063 -8.776 -0.377 1.00 0.00 H new ATOM 0 HB3 TYR 1 3 -12.581 -8.037 -0.949 1.00 0.00 H new ATOM 0 HD1 TYR 1 3 -12.229 -8.126 -3.580 1.00 0.00 H new ATOM 0 HD2 TYR 1 3 -16.003 -8.529 -1.642 1.00 0.00 H new ATOM 0 HE1 TYR 1 3 -13.405 -7.435 -5.713 1.00 0.00 H new ATOM 0 HE2 TYR 1 3 -17.167 -7.837 -3.783 1.00 0.00 H new ATOM 0 HH TYR 1 3 -16.929 -7.242 -5.836 1.00 0.00 H new ATOM 52 N VAL 1 4 -11.344 -11.516 0.220 1.00 0.00 N ATOM 53 CA VAL 1 4 -10.881 -12.027 1.498 1.00 0.00 C ATOM 54 C VAL 1 4 -9.351 -12.027 1.519 1.00 0.00 C ATOM 55 O VAL 1 4 -8.741 -11.615 2.504 1.00 0.00 O ATOM 56 CB VAL 1 4 -11.483 -13.409 1.758 1.00 0.00 C ATOM 57 CG1 VAL 1 4 -13.005 -13.327 1.898 1.00 0.00 C ATOM 58 CG2 VAL 1 4 -11.086 -14.395 0.658 1.00 0.00 C ATOM 0 H VAL 1 4 -10.878 -11.918 -0.593 1.00 0.00 H new ATOM 0 HA VAL 1 4 -11.217 -11.383 2.311 1.00 0.00 H new ATOM 0 HB VAL 1 4 -11.080 -13.778 2.701 1.00 0.00 H new ATOM 0 HG11 VAL 1 4 -13.408 -14.323 2.082 1.00 0.00 H new ATOM 0 HG12 VAL 1 4 -13.259 -12.673 2.732 1.00 0.00 H new ATOM 0 HG13 VAL 1 4 -13.434 -12.927 0.979 1.00 0.00 H new ATOM 0 HG21 VAL 1 4 -11.527 -15.370 0.867 1.00 0.00 H new ATOM 0 HG22 VAL 1 4 -11.447 -14.032 -0.304 1.00 0.00 H new ATOM 0 HG23 VAL 1 4 -10.000 -14.487 0.626 1.00 0.00 H new ATOM 68 N GLY 1 5 -8.777 -12.496 0.421 1.00 0.00 N ATOM 69 CA GLY 1 5 -7.330 -12.555 0.301 1.00 0.00 C ATOM 70 C GLY 1 5 -6.736 -11.156 0.121 1.00 0.00 C ATOM 71 O GLY 1 5 -5.534 -11.012 -0.094 1.00 0.00 O ATOM 0 H GLY 1 5 -9.287 -12.839 -0.393 1.00 0.00 H new ATOM 0 HA2 GLY 1 5 -6.907 -13.022 1.190 1.00 0.00 H new ATOM 0 HA3 GLY 1 5 -7.057 -13.182 -0.548 1.00 0.00 H new ATOM 75 N LEU 1 6 -7.607 -10.163 0.215 1.00 0.00 N ATOM 76 CA LEU 1 6 -7.185 -8.781 0.065 1.00 0.00 C ATOM 77 C LEU 1 6 -7.358 -8.051 1.398 1.00 0.00 C ATOM 78 O LEU 1 6 -6.848 -6.946 1.577 1.00 0.00 O ATOM 79 CB LEU 1 6 -7.922 -8.117 -1.100 1.00 0.00 C ATOM 80 CG LEU 1 6 -9.446 -8.258 -1.094 1.00 0.00 C ATOM 81 CD1 LEU 1 6 -10.012 -8.046 0.312 1.00 0.00 C ATOM 82 CD2 LEU 1 6 -10.087 -7.318 -2.118 1.00 0.00 C ATOM 0 H LEU 1 6 -8.604 -10.288 0.393 1.00 0.00 H new ATOM 0 HA LEU 1 6 -6.126 -8.733 -0.190 1.00 0.00 H new ATOM 0 HB2 LEU 1 6 -7.675 -7.055 -1.103 1.00 0.00 H new ATOM 0 HB3 LEU 1 6 -7.541 -8.536 -2.032 1.00 0.00 H new ATOM 0 HG LEU 1 6 -9.696 -9.277 -1.390 1.00 0.00 H new ATOM 0 HD11 LEU 1 6 -11.097 -8.152 0.287 1.00 0.00 H new ATOM 0 HD12 LEU 1 6 -9.590 -8.788 0.990 1.00 0.00 H new ATOM 0 HD13 LEU 1 6 -9.753 -7.047 0.662 1.00 0.00 H new ATOM 0 HD21 LEU 1 6 -11.170 -7.438 -2.094 1.00 0.00 H new ATOM 0 HD22 LEU 1 6 -9.830 -6.287 -1.876 1.00 0.00 H new ATOM 0 HD23 LEU 1 6 -9.718 -7.559 -3.115 1.00 0.00 H new ATOM 94 N SER 1 7 -8.080 -8.699 2.302 1.00 0.00 N ATOM 95 CA SER 1 7 -8.328 -8.126 3.613 1.00 0.00 C ATOM 96 C SER 1 7 -7.560 -8.909 4.680 1.00 0.00 C ATOM 97 O SER 1 7 -6.808 -9.828 4.360 1.00 0.00 O ATOM 98 CB SER 1 7 -9.823 -8.114 3.936 1.00 0.00 C ATOM 99 OG SER 1 7 -10.476 -6.965 3.403 1.00 0.00 O ATOM 0 H SER 1 7 -8.501 -9.616 2.151 1.00 0.00 H new ATOM 0 HA SER 1 7 -7.978 -7.094 3.607 1.00 0.00 H new ATOM 0 HB2 SER 1 7 -10.288 -9.014 3.534 1.00 0.00 H new ATOM 0 HB3 SER 1 7 -9.960 -8.140 5.017 1.00 0.00 H new ATOM 0 HG SER 1 7 -10.149 -6.162 3.860 1.00 0.00 H new ATOM 105 N ALA 1 8 -7.776 -8.516 5.927 1.00 0.00 N ATOM 106 CA ALA 1 8 -7.114 -9.170 7.043 1.00 0.00 C ATOM 107 C ALA 1 8 -7.185 -10.687 6.854 1.00 0.00 C ATOM 108 O ALA 1 8 -8.145 -11.201 6.282 1.00 0.00 O ATOM 109 CB ALA 1 8 -7.755 -8.715 8.355 1.00 0.00 C ATOM 0 H ALA 1 8 -8.400 -7.753 6.189 1.00 0.00 H new ATOM 0 HA ALA 1 8 -6.061 -8.891 7.082 1.00 0.00 H new ATOM 0 HB1 ALA 1 8 -7.258 -9.206 9.192 1.00 0.00 H new ATOM 0 HB2 ALA 1 8 -7.652 -7.634 8.455 1.00 0.00 H new ATOM 0 HB3 ALA 1 8 -8.812 -8.980 8.355 1.00 0.00 H new ATOM 115 N ASN 1 9 -6.156 -11.362 7.347 1.00 0.00 N ATOM 116 CA ASN 1 9 -6.090 -12.809 7.240 1.00 0.00 C ATOM 117 C ASN 1 9 -5.250 -13.188 6.018 1.00 0.00 C ATOM 118 O ASN 1 9 -4.518 -14.176 6.046 1.00 0.00 O ATOM 119 CB ASN 1 9 -7.485 -13.413 7.061 1.00 0.00 C ATOM 120 CG ASN 1 9 -7.503 -14.885 7.475 1.00 0.00 C ATOM 121 OD1 ASN 1 9 -8.149 -15.279 8.432 1.00 0.00 O ATOM 122 ND2 ASN 1 9 -6.758 -15.673 6.705 1.00 0.00 N ATOM 0 H ASN 1 9 -5.362 -10.933 7.821 1.00 0.00 H new ATOM 0 HA ASN 1 9 -5.645 -13.195 8.157 1.00 0.00 H new ATOM 0 HB2 ASN 1 9 -8.206 -12.855 7.658 1.00 0.00 H new ATOM 0 HB3 ASN 1 9 -7.794 -13.321 6.020 1.00 0.00 H new ATOM 0 HD21 ASN 1 9 -6.703 -16.673 6.901 1.00 0.00 H new ATOM 0 HD22 ASN 1 9 -6.242 -15.278 5.919 1.00 0.00 H new ATOM 129 N GLN 1 10 -5.385 -12.383 4.974 1.00 0.00 N ATOM 130 CA GLN 1 10 -4.648 -12.622 3.745 1.00 0.00 C ATOM 131 C GLN 1 10 -3.145 -12.654 4.026 1.00 0.00 C ATOM 132 O GLN 1 10 -2.427 -13.497 3.489 1.00 0.00 O ATOM 133 CB GLN 1 10 -4.987 -11.568 2.690 1.00 0.00 C ATOM 134 CG GLN 1 10 -3.828 -10.586 2.505 1.00 0.00 C ATOM 135 CD GLN 1 10 -4.160 -9.539 1.438 1.00 0.00 C ATOM 136 OE1 GLN 1 10 -4.986 -8.662 1.628 1.00 0.00 O ATOM 137 NE2 GLN 1 10 -3.473 -9.682 0.309 1.00 0.00 N ATOM 0 H GLN 1 10 -5.994 -11.565 4.954 1.00 0.00 H new ATOM 0 HA GLN 1 10 -4.944 -13.593 3.349 1.00 0.00 H new ATOM 0 HB2 GLN 1 10 -5.210 -12.056 1.741 1.00 0.00 H new ATOM 0 HB3 GLN 1 10 -5.884 -11.025 2.988 1.00 0.00 H new ATOM 0 HG2 GLN 1 10 -3.612 -10.090 3.451 1.00 0.00 H new ATOM 0 HG3 GLN 1 10 -2.928 -11.130 2.218 1.00 0.00 H new ATOM 0 HE21 GLN 1 10 -2.796 -10.439 0.216 1.00 0.00 H new ATOM 0 HE22 GLN 1 10 -3.623 -9.035 -0.465 1.00 0.00 H new ATOM 146 N CYS 1 11 -2.712 -11.726 4.867 1.00 0.00 N ATOM 147 CA CYS 1 11 -1.307 -11.638 5.225 1.00 0.00 C ATOM 148 C CYS 1 11 -0.880 -12.977 5.829 1.00 0.00 C ATOM 149 O CYS 1 11 0.310 -13.221 6.029 1.00 0.00 O ATOM 150 CB CYS 1 11 -1.038 -10.470 6.178 1.00 0.00 C ATOM 151 SG CYS 1 11 0.684 -10.359 6.788 1.00 0.00 S ATOM 0 H CYS 1 11 -3.310 -11.029 5.311 1.00 0.00 H new ATOM 0 HA CYS 1 11 -0.714 -11.438 4.333 1.00 0.00 H new ATOM 0 HB2 CYS 1 11 -1.289 -9.539 5.670 1.00 0.00 H new ATOM 0 HB3 CYS 1 11 -1.707 -10.556 7.034 1.00 0.00 H new ATOM 156 N ALA 1 12 -1.873 -13.810 6.104 1.00 0.00 N ATOM 157 CA ALA 1 12 -1.615 -15.117 6.682 1.00 0.00 C ATOM 158 C ALA 1 12 -1.309 -16.114 5.561 1.00 0.00 C ATOM 159 O ALA 1 12 -1.251 -17.320 5.796 1.00 0.00 O ATOM 160 CB ALA 1 12 -2.813 -15.546 7.531 1.00 0.00 C ATOM 0 H ALA 1 12 -2.858 -13.605 5.937 1.00 0.00 H new ATOM 0 HA ALA 1 12 -0.746 -15.081 7.339 1.00 0.00 H new ATOM 0 HB1 ALA 1 12 -2.619 -16.527 7.965 1.00 0.00 H new ATOM 0 HB2 ALA 1 12 -2.971 -14.821 8.330 1.00 0.00 H new ATOM 0 HB3 ALA 1 12 -3.704 -15.596 6.905 1.00 0.00 H new ATOM 166 N VAL 1 13 -1.123 -15.572 4.366 1.00 0.00 N ATOM 167 CA VAL 1 13 -0.824 -16.398 3.208 1.00 0.00 C ATOM 168 C VAL 1 13 0.012 -17.602 3.648 1.00 0.00 C ATOM 169 O VAL 1 13 0.789 -17.510 4.597 1.00 0.00 O ATOM 170 CB VAL 1 13 -0.140 -15.557 2.128 1.00 0.00 C ATOM 171 CG1 VAL 1 13 0.373 -14.237 2.704 1.00 0.00 C ATOM 172 CG2 VAL 1 13 0.991 -16.340 1.459 1.00 0.00 C ATOM 0 H VAL 1 13 -1.174 -14.571 4.175 1.00 0.00 H new ATOM 0 HA VAL 1 13 -1.743 -16.784 2.767 1.00 0.00 H new ATOM 0 HB VAL 1 13 -0.882 -15.323 1.365 1.00 0.00 H new ATOM 0 HG11 VAL 1 13 0.855 -13.659 1.916 1.00 0.00 H new ATOM 0 HG12 VAL 1 13 -0.463 -13.669 3.112 1.00 0.00 H new ATOM 0 HG13 VAL 1 13 1.094 -14.441 3.496 1.00 0.00 H new ATOM 0 HG21 VAL 1 13 1.461 -15.720 0.695 1.00 0.00 H new ATOM 0 HG22 VAL 1 13 1.733 -16.618 2.207 1.00 0.00 H new ATOM 0 HG23 VAL 1 13 0.586 -17.240 0.997 1.00 0.00 H new ATOM 182 N PRO 1 14 -0.180 -18.733 2.918 1.00 0.00 N ATOM 183 CA PRO 1 14 0.547 -19.953 3.223 1.00 0.00 C ATOM 184 C PRO 1 14 2.000 -19.856 2.754 1.00 0.00 C ATOM 185 O PRO 1 14 2.590 -20.854 2.340 1.00 0.00 O ATOM 186 CB PRO 1 14 -0.230 -21.058 2.526 1.00 0.00 C ATOM 187 CG PRO 1 14 -1.089 -20.368 1.479 1.00 0.00 C ATOM 188 CD PRO 1 14 -1.092 -18.879 1.786 1.00 0.00 C ATOM 0 HA PRO 1 14 0.615 -20.147 4.294 1.00 0.00 H new ATOM 0 HB2 PRO 1 14 0.445 -21.778 2.064 1.00 0.00 H new ATOM 0 HB3 PRO 1 14 -0.847 -21.609 3.236 1.00 0.00 H new ATOM 0 HG2 PRO 1 14 -0.694 -20.551 0.480 1.00 0.00 H new ATOM 0 HG3 PRO 1 14 -2.105 -20.764 1.497 1.00 0.00 H new ATOM 0 HD2 PRO 1 14 -0.755 -18.297 0.928 1.00 0.00 H new ATOM 0 HD3 PRO 1 14 -2.093 -18.528 2.036 1.00 0.00 H new ATOM 196 N ALA 1 15 2.536 -18.648 2.837 1.00 0.00 N ATOM 197 CA ALA 1 15 3.908 -18.408 2.426 1.00 0.00 C ATOM 198 C ALA 1 15 4.100 -18.896 0.989 1.00 0.00 C ATOM 199 O ALA 1 15 4.882 -19.813 0.739 1.00 0.00 O ATOM 200 CB ALA 1 15 4.862 -19.095 3.407 1.00 0.00 C ATOM 0 H ALA 1 15 2.044 -17.824 3.183 1.00 0.00 H new ATOM 0 HA ALA 1 15 4.132 -17.341 2.444 1.00 0.00 H new ATOM 0 HB1 ALA 1 15 5.892 -18.915 3.099 1.00 0.00 H new ATOM 0 HB2 ALA 1 15 4.707 -18.692 4.408 1.00 0.00 H new ATOM 0 HB3 ALA 1 15 4.667 -20.167 3.413 1.00 0.00 H new ATOM 206 N LYS 1 16 3.373 -18.262 0.081 1.00 0.00 N ATOM 207 CA LYS 1 16 3.451 -18.620 -1.325 1.00 0.00 C ATOM 208 C LYS 1 16 2.245 -18.039 -2.063 1.00 0.00 C ATOM 209 O LYS 1 16 1.645 -18.709 -2.904 1.00 0.00 O ATOM 210 CB LYS 1 16 3.600 -20.135 -1.484 1.00 0.00 C ATOM 211 CG LYS 1 16 2.762 -20.880 -0.444 1.00 0.00 C ATOM 212 CD LYS 1 16 1.891 -21.949 -1.106 1.00 0.00 C ATOM 213 CE LYS 1 16 2.635 -23.282 -1.202 1.00 0.00 C ATOM 214 NZ LYS 1 16 1.680 -24.398 -1.387 1.00 0.00 N ATOM 0 H LYS 1 16 2.726 -17.502 0.292 1.00 0.00 H new ATOM 0 HA LYS 1 16 4.341 -18.186 -1.780 1.00 0.00 H new ATOM 0 HB2 LYS 1 16 3.290 -20.431 -2.486 1.00 0.00 H new ATOM 0 HB3 LYS 1 16 4.648 -20.414 -1.379 1.00 0.00 H new ATOM 0 HG2 LYS 1 16 3.418 -21.345 0.292 1.00 0.00 H new ATOM 0 HG3 LYS 1 16 2.130 -20.173 0.094 1.00 0.00 H new ATOM 0 HD2 LYS 1 16 0.973 -22.081 -0.533 1.00 0.00 H new ATOM 0 HD3 LYS 1 16 1.599 -21.619 -2.103 1.00 0.00 H new ATOM 0 HE2 LYS 1 16 3.336 -23.254 -2.036 1.00 0.00 H new ATOM 0 HE3 LYS 1 16 3.221 -23.444 -0.297 1.00 0.00 H new ATOM 0 HZ1 LYS 1 16 2.202 -25.295 -1.450 1.00 0.00 H new ATOM 0 HZ2 LYS 1 16 1.027 -24.434 -0.578 1.00 0.00 H new ATOM 0 HZ3 LYS 1 16 1.139 -24.250 -2.263 1.00 0.00 H new ATOM 228 N ASP 1 17 1.923 -16.800 -1.723 1.00 0.00 N ATOM 229 CA ASP 1 17 0.798 -16.122 -2.344 1.00 0.00 C ATOM 230 C ASP 1 17 1.005 -14.608 -2.248 1.00 0.00 C ATOM 231 O ASP 1 17 0.097 -13.834 -2.549 1.00 0.00 O ATOM 232 CB ASP 1 17 -0.512 -16.466 -1.634 1.00 0.00 C ATOM 233 CG ASP 1 17 -1.782 -16.061 -2.388 1.00 0.00 C ATOM 234 OD1 ASP 1 17 -1.673 -15.863 -3.616 1.00 0.00 O ATOM 235 OD2 ASP 1 17 -2.831 -15.959 -1.717 1.00 0.00 O ATOM 0 H ASP 1 17 2.422 -16.248 -1.025 1.00 0.00 H new ATOM 0 HA ASP 1 17 0.740 -16.446 -3.383 1.00 0.00 H new ATOM 0 HB2 ASP 1 17 -0.540 -17.541 -1.456 1.00 0.00 H new ATOM 0 HB3 ASP 1 17 -0.517 -15.981 -0.658 1.00 0.00 H new ATOM 240 N ARG 1 18 2.203 -14.232 -1.827 1.00 0.00 N ATOM 241 CA ARG 1 18 2.540 -12.826 -1.687 1.00 0.00 C ATOM 242 C ARG 1 18 3.205 -12.309 -2.964 1.00 0.00 C ATOM 243 O ARG 1 18 3.454 -13.077 -3.893 1.00 0.00 O ATOM 244 CB ARG 1 18 3.483 -12.600 -0.503 1.00 0.00 C ATOM 245 CG ARG 1 18 2.980 -13.330 0.744 1.00 0.00 C ATOM 246 CD ARG 1 18 4.132 -14.016 1.480 1.00 0.00 C ATOM 247 NE ARG 1 18 3.641 -14.626 2.735 1.00 0.00 N ATOM 248 CZ ARG 1 18 4.429 -14.970 3.762 1.00 0.00 C ATOM 249 NH1 ARG 1 18 5.751 -14.768 3.689 1.00 0.00 N ATOM 250 NH2 ARG 1 18 3.895 -15.517 4.863 1.00 0.00 N ATOM 0 H ARG 1 18 2.953 -14.877 -1.578 1.00 0.00 H new ATOM 0 HA ARG 1 18 1.613 -12.280 -1.509 1.00 0.00 H new ATOM 0 HB2 ARG 1 18 4.483 -12.952 -0.757 1.00 0.00 H new ATOM 0 HB3 ARG 1 18 3.564 -11.533 -0.296 1.00 0.00 H new ATOM 0 HG2 ARG 1 18 2.488 -12.622 1.411 1.00 0.00 H new ATOM 0 HG3 ARG 1 18 2.233 -14.071 0.459 1.00 0.00 H new ATOM 0 HD2 ARG 1 18 4.576 -14.782 0.844 1.00 0.00 H new ATOM 0 HD3 ARG 1 18 4.916 -13.291 1.701 1.00 0.00 H new ATOM 0 HE ARG 1 18 2.639 -14.795 2.824 1.00 0.00 H new ATOM 0 HH11 ARG 1 18 6.158 -14.352 2.851 1.00 0.00 H new ATOM 0 HH12 ARG 1 18 6.351 -15.030 4.471 1.00 0.00 H new ATOM 0 HH21 ARG 1 18 2.888 -15.671 4.919 1.00 0.00 H new ATOM 0 HH22 ARG 1 18 4.495 -15.779 5.645 1.00 0.00 H new ATOM 264 N VAL 1 19 3.475 -11.012 -2.971 1.00 0.00 N ATOM 265 CA VAL 1 19 4.106 -10.385 -4.119 1.00 0.00 C ATOM 266 C VAL 1 19 5.560 -10.053 -3.778 1.00 0.00 C ATOM 267 O VAL 1 19 6.198 -9.259 -4.468 1.00 0.00 O ATOM 268 CB VAL 1 19 3.300 -9.160 -4.555 1.00 0.00 C ATOM 269 CG1 VAL 1 19 3.662 -8.745 -5.983 1.00 0.00 C ATOM 270 CG2 VAL 1 19 1.797 -9.417 -4.423 1.00 0.00 C ATOM 0 H VAL 1 19 3.268 -10.378 -2.199 1.00 0.00 H new ATOM 0 HA VAL 1 19 4.119 -11.068 -4.968 1.00 0.00 H new ATOM 0 HB VAL 1 19 3.559 -8.335 -3.891 1.00 0.00 H new ATOM 0 HG11 VAL 1 19 3.075 -7.872 -6.268 1.00 0.00 H new ATOM 0 HG12 VAL 1 19 4.723 -8.501 -6.033 1.00 0.00 H new ATOM 0 HG13 VAL 1 19 3.446 -9.566 -6.666 1.00 0.00 H new ATOM 0 HG21 VAL 1 19 1.247 -8.531 -4.739 1.00 0.00 H new ATOM 0 HG22 VAL 1 19 1.516 -10.262 -5.052 1.00 0.00 H new ATOM 0 HG23 VAL 1 19 1.556 -9.642 -3.384 1.00 0.00 H new ATOM 280 N ASP 1 20 6.042 -10.678 -2.713 1.00 0.00 N ATOM 281 CA ASP 1 20 7.410 -10.459 -2.273 1.00 0.00 C ATOM 282 C ASP 1 20 7.767 -8.981 -2.449 1.00 0.00 C ATOM 283 O ASP 1 20 8.314 -8.591 -3.479 1.00 0.00 O ATOM 284 CB ASP 1 20 8.394 -11.286 -3.100 1.00 0.00 C ATOM 285 CG ASP 1 20 9.812 -10.716 -3.179 1.00 0.00 C ATOM 286 OD1 ASP 1 20 10.487 -10.727 -2.127 1.00 0.00 O ATOM 287 OD2 ASP 1 20 10.188 -10.282 -4.289 1.00 0.00 O ATOM 0 H ASP 1 20 5.510 -11.335 -2.143 1.00 0.00 H new ATOM 0 HA ASP 1 20 7.480 -10.758 -1.227 1.00 0.00 H new ATOM 0 HB2 ASP 1 20 8.445 -12.290 -2.679 1.00 0.00 H new ATOM 0 HB3 ASP 1 20 8.001 -11.385 -4.112 1.00 0.00 H new ATOM 292 N CYS 1 21 7.443 -8.201 -1.429 1.00 0.00 N ATOM 293 CA CYS 1 21 7.724 -6.776 -1.458 1.00 0.00 C ATOM 294 C CYS 1 21 9.165 -6.579 -1.937 1.00 0.00 C ATOM 295 O CYS 1 21 9.451 -5.650 -2.691 1.00 0.00 O ATOM 296 CB CYS 1 21 7.480 -6.123 -0.096 1.00 0.00 C ATOM 297 SG CYS 1 21 6.987 -4.362 -0.167 1.00 0.00 S ATOM 0 H CYS 1 21 6.988 -8.529 -0.577 1.00 0.00 H new ATOM 0 HA CYS 1 21 7.042 -6.283 -2.151 1.00 0.00 H new ATOM 0 HB2 CYS 1 21 6.703 -6.682 0.426 1.00 0.00 H new ATOM 0 HB3 CYS 1 21 8.389 -6.208 0.500 1.00 0.00 H new ATOM 302 N GLY 1 22 10.032 -7.468 -1.478 1.00 0.00 N ATOM 303 CA GLY 1 22 11.437 -7.405 -1.849 1.00 0.00 C ATOM 304 C GLY 1 22 11.967 -5.974 -1.742 1.00 0.00 C ATOM 305 O GLY 1 22 12.478 -5.423 -2.715 1.00 0.00 O ATOM 0 H GLY 1 22 9.790 -8.236 -0.852 1.00 0.00 H new ATOM 0 HA2 GLY 1 22 12.018 -8.061 -1.201 1.00 0.00 H new ATOM 0 HA3 GLY 1 22 11.565 -7.769 -2.869 1.00 0.00 H new ATOM 309 N TYR 1 23 11.828 -5.413 -0.550 1.00 0.00 N ATOM 310 CA TYR 1 23 12.287 -4.057 -0.303 1.00 0.00 C ATOM 311 C TYR 1 23 13.727 -4.051 0.215 1.00 0.00 C ATOM 312 O TYR 1 23 14.146 -4.980 0.905 1.00 0.00 O ATOM 313 CB TYR 1 23 11.367 -3.490 0.780 1.00 0.00 C ATOM 314 CG TYR 1 23 10.252 -2.592 0.240 1.00 0.00 C ATOM 315 CD1 TYR 1 23 9.513 -2.990 -0.855 1.00 0.00 C ATOM 316 CD2 TYR 1 23 9.985 -1.382 0.850 1.00 0.00 C ATOM 317 CE1 TYR 1 23 8.463 -2.145 -1.362 1.00 0.00 C ATOM 318 CE2 TYR 1 23 8.935 -0.537 0.342 1.00 0.00 C ATOM 319 CZ TYR 1 23 8.227 -0.960 -0.739 1.00 0.00 C ATOM 320 OH TYR 1 23 7.236 -0.161 -1.218 1.00 0.00 O ATOM 0 H TYR 1 23 11.404 -5.873 0.256 1.00 0.00 H new ATOM 0 HA TYR 1 23 12.262 -3.471 -1.222 1.00 0.00 H new ATOM 0 HB2 TYR 1 23 10.919 -4.317 1.331 1.00 0.00 H new ATOM 0 HB3 TYR 1 23 11.966 -2.921 1.490 1.00 0.00 H new ATOM 0 HD1 TYR 1 23 9.722 -3.936 -1.332 1.00 0.00 H new ATOM 0 HD2 TYR 1 23 10.563 -1.070 1.707 1.00 0.00 H new ATOM 0 HE1 TYR 1 23 7.876 -2.446 -2.218 1.00 0.00 H new ATOM 0 HE2 TYR 1 23 8.715 0.411 0.809 1.00 0.00 H new ATOM 0 HH TYR 1 23 7.352 -0.039 -2.183 1.00 0.00 H new ATOM 330 N PRO 1 24 14.463 -2.966 -0.146 1.00 0.00 N ATOM 331 CA PRO 1 24 15.847 -2.828 0.275 1.00 0.00 C ATOM 332 C PRO 1 24 15.935 -2.438 1.752 1.00 0.00 C ATOM 333 O PRO 1 24 17.027 -2.353 2.311 1.00 0.00 O ATOM 334 CB PRO 1 24 16.437 -1.777 -0.652 1.00 0.00 C ATOM 335 CG PRO 1 24 15.251 -1.034 -1.247 1.00 0.00 C ATOM 336 CD PRO 1 24 14.000 -1.847 -0.961 1.00 0.00 C ATOM 0 HA PRO 1 24 16.403 -3.762 0.203 1.00 0.00 H new ATOM 0 HB2 PRO 1 24 17.090 -1.097 -0.106 1.00 0.00 H new ATOM 0 HB3 PRO 1 24 17.040 -2.239 -1.433 1.00 0.00 H new ATOM 0 HG2 PRO 1 24 15.167 -0.038 -0.811 1.00 0.00 H new ATOM 0 HG3 PRO 1 24 15.383 -0.902 -2.321 1.00 0.00 H new ATOM 0 HD2 PRO 1 24 13.255 -1.253 -0.432 1.00 0.00 H new ATOM 0 HD3 PRO 1 24 13.534 -2.195 -1.883 1.00 0.00 H new ATOM 344 N HIS 1 25 14.770 -2.213 2.342 1.00 0.00 N ATOM 345 CA HIS 1 25 14.701 -1.835 3.743 1.00 0.00 C ATOM 346 C HIS 1 25 13.803 -2.819 4.496 1.00 0.00 C ATOM 347 O HIS 1 25 13.406 -2.558 5.631 1.00 0.00 O ATOM 348 CB HIS 1 25 14.245 -0.382 3.892 1.00 0.00 C ATOM 349 CG HIS 1 25 15.378 0.601 4.077 1.00 0.00 C ATOM 350 ND1 HIS 1 25 15.725 1.532 3.113 1.00 0.00 N ATOM 351 CD2 HIS 1 25 16.235 0.788 5.121 1.00 0.00 C ATOM 352 CE1 HIS 1 25 16.747 2.242 3.568 1.00 0.00 C ATOM 353 NE2 HIS 1 25 17.063 1.779 4.812 1.00 0.00 N ATOM 0 H HIS 1 25 13.866 -2.285 1.875 1.00 0.00 H new ATOM 0 HA HIS 1 25 15.695 -1.890 4.188 1.00 0.00 H new ATOM 0 HB2 HIS 1 25 13.673 -0.099 3.009 1.00 0.00 H new ATOM 0 HB3 HIS 1 25 13.571 -0.309 4.746 1.00 0.00 H new ATOM 0 HD2 HIS 1 25 16.240 0.225 6.043 1.00 0.00 H new ATOM 0 HE1 HIS 1 25 17.243 3.047 3.046 1.00 0.00 H new ATOM 0 HE2 HIS 1 25 17.812 2.135 5.406 1.00 0.00 H new ATOM 362 N VAL 1 26 13.511 -3.929 3.835 1.00 0.00 N ATOM 363 CA VAL 1 26 12.666 -4.953 4.428 1.00 0.00 C ATOM 364 C VAL 1 26 13.099 -5.187 5.877 1.00 0.00 C ATOM 365 O VAL 1 26 14.268 -5.460 6.142 1.00 0.00 O ATOM 366 CB VAL 1 26 12.710 -6.223 3.578 1.00 0.00 C ATOM 367 CG1 VAL 1 26 14.148 -6.573 3.187 1.00 0.00 C ATOM 368 CG2 VAL 1 26 12.038 -7.391 4.302 1.00 0.00 C ATOM 0 H VAL 1 26 13.844 -4.142 2.895 1.00 0.00 H new ATOM 0 HA VAL 1 26 11.626 -4.628 4.448 1.00 0.00 H new ATOM 0 HB VAL 1 26 12.152 -6.032 2.662 1.00 0.00 H new ATOM 0 HG11 VAL 1 26 14.150 -7.480 2.583 1.00 0.00 H new ATOM 0 HG12 VAL 1 26 14.578 -5.753 2.612 1.00 0.00 H new ATOM 0 HG13 VAL 1 26 14.741 -6.735 4.087 1.00 0.00 H new ATOM 0 HG21 VAL 1 26 12.083 -8.282 3.676 1.00 0.00 H new ATOM 0 HG22 VAL 1 26 12.555 -7.582 5.242 1.00 0.00 H new ATOM 0 HG23 VAL 1 26 10.996 -7.142 4.505 1.00 0.00 H new ATOM 378 N THR 1 27 12.132 -5.073 6.775 1.00 0.00 N ATOM 379 CA THR 1 27 12.399 -5.270 8.190 1.00 0.00 C ATOM 380 C THR 1 27 11.087 -5.410 8.965 1.00 0.00 C ATOM 381 O THR 1 27 10.047 -4.921 8.526 1.00 0.00 O ATOM 382 CB THR 1 27 13.269 -4.110 8.673 1.00 0.00 C ATOM 383 OG1 THR 1 27 14.468 -4.736 9.119 1.00 0.00 O ATOM 384 CG2 THR 1 27 12.708 -3.439 9.930 1.00 0.00 C ATOM 0 H THR 1 27 11.163 -4.847 6.551 1.00 0.00 H new ATOM 0 HA THR 1 27 12.944 -6.198 8.365 1.00 0.00 H new ATOM 0 HB THR 1 27 13.360 -3.370 7.877 1.00 0.00 H new ATOM 0 HG1 THR 1 27 14.894 -5.200 8.368 1.00 0.00 H new ATOM 0 HG21 THR 1 27 13.364 -2.622 10.230 1.00 0.00 H new ATOM 0 HG22 THR 1 27 11.713 -3.047 9.720 1.00 0.00 H new ATOM 0 HG23 THR 1 27 12.647 -4.170 10.736 1.00 0.00 H new ATOM 392 N PRO 1 28 11.180 -6.098 10.134 1.00 0.00 N ATOM 393 CA PRO 1 28 10.014 -6.309 10.975 1.00 0.00 C ATOM 394 C PRO 1 28 9.636 -5.026 11.719 1.00 0.00 C ATOM 395 O PRO 1 28 9.482 -5.035 12.940 1.00 0.00 O ATOM 396 CB PRO 1 28 10.401 -7.444 11.908 1.00 0.00 C ATOM 397 CG PRO 1 28 11.919 -7.516 11.870 1.00 0.00 C ATOM 398 CD PRO 1 28 12.395 -6.692 10.686 1.00 0.00 C ATOM 0 HA PRO 1 28 9.124 -6.569 10.402 1.00 0.00 H new ATOM 0 HB2 PRO 1 28 10.044 -7.256 12.921 1.00 0.00 H new ATOM 0 HB3 PRO 1 28 9.957 -8.385 11.583 1.00 0.00 H new ATOM 0 HG2 PRO 1 28 12.343 -7.131 12.798 1.00 0.00 H new ATOM 0 HG3 PRO 1 28 12.250 -8.550 11.773 1.00 0.00 H new ATOM 0 HD2 PRO 1 28 13.104 -5.925 10.997 1.00 0.00 H new ATOM 0 HD3 PRO 1 28 12.902 -7.315 9.949 1.00 0.00 H new ATOM 406 N LYS 1 29 9.498 -3.953 10.953 1.00 0.00 N ATOM 407 CA LYS 1 29 9.141 -2.667 11.524 1.00 0.00 C ATOM 408 C LYS 1 29 9.137 -1.606 10.421 1.00 0.00 C ATOM 409 O LYS 1 29 8.520 -0.553 10.570 1.00 0.00 O ATOM 410 CB LYS 1 29 10.062 -2.328 12.699 1.00 0.00 C ATOM 411 CG LYS 1 29 9.309 -1.547 13.778 1.00 0.00 C ATOM 412 CD LYS 1 29 9.472 -2.209 15.148 1.00 0.00 C ATOM 413 CE LYS 1 29 8.115 -2.614 15.726 1.00 0.00 C ATOM 414 NZ LYS 1 29 7.932 -4.079 15.642 1.00 0.00 N ATOM 0 H LYS 1 29 9.627 -3.949 9.941 1.00 0.00 H new ATOM 0 HA LYS 1 29 8.133 -2.701 11.937 1.00 0.00 H new ATOM 0 HB2 LYS 1 29 10.467 -3.246 13.125 1.00 0.00 H new ATOM 0 HB3 LYS 1 29 10.909 -1.741 12.344 1.00 0.00 H new ATOM 0 HG2 LYS 1 29 9.682 -0.523 13.818 1.00 0.00 H new ATOM 0 HG3 LYS 1 29 8.251 -1.491 13.520 1.00 0.00 H new ATOM 0 HD2 LYS 1 29 10.110 -3.088 15.057 1.00 0.00 H new ATOM 0 HD3 LYS 1 29 9.972 -1.522 15.831 1.00 0.00 H new ATOM 0 HE2 LYS 1 29 8.045 -2.292 16.765 1.00 0.00 H new ATOM 0 HE3 LYS 1 29 7.316 -2.110 15.182 1.00 0.00 H new ATOM 0 HZ1 LYS 1 29 6.917 -4.300 15.591 1.00 0.00 H new ATOM 0 HZ2 LYS 1 29 8.408 -4.440 14.791 1.00 0.00 H new ATOM 0 HZ3 LYS 1 29 8.342 -4.529 16.485 1.00 0.00 H new ATOM 428 N GLU 1 30 9.833 -1.923 9.339 1.00 0.00 N ATOM 429 CA GLU 1 30 9.917 -1.011 8.211 1.00 0.00 C ATOM 430 C GLU 1 30 8.883 -1.386 7.146 1.00 0.00 C ATOM 431 O GLU 1 30 8.201 -0.517 6.605 1.00 0.00 O ATOM 432 CB GLU 1 30 11.330 -0.995 7.622 1.00 0.00 C ATOM 433 CG GLU 1 30 12.043 0.319 7.944 1.00 0.00 C ATOM 434 CD GLU 1 30 13.026 0.141 9.102 1.00 0.00 C ATOM 435 OE1 GLU 1 30 12.579 0.306 10.257 1.00 0.00 O ATOM 436 OE2 GLU 1 30 14.203 -0.159 8.806 1.00 0.00 O ATOM 0 H GLU 1 30 10.344 -2.798 9.220 1.00 0.00 H new ATOM 0 HA GLU 1 30 9.695 -0.005 8.566 1.00 0.00 H new ATOM 0 HB2 GLU 1 30 11.904 -1.831 8.021 1.00 0.00 H new ATOM 0 HB3 GLU 1 30 11.279 -1.130 6.542 1.00 0.00 H new ATOM 0 HG2 GLU 1 30 12.576 0.673 7.062 1.00 0.00 H new ATOM 0 HG3 GLU 1 30 11.308 1.082 8.200 1.00 0.00 H new ATOM 443 N CYS 1 31 8.801 -2.681 6.878 1.00 0.00 N ATOM 444 CA CYS 1 31 7.863 -3.182 5.888 1.00 0.00 C ATOM 445 C CYS 1 31 6.458 -2.718 6.280 1.00 0.00 C ATOM 446 O CYS 1 31 5.752 -2.116 5.473 1.00 0.00 O ATOM 447 CB CYS 1 31 7.943 -4.704 5.751 1.00 0.00 C ATOM 448 SG CYS 1 31 9.409 -5.316 4.842 1.00 0.00 S ATOM 0 H CYS 1 31 9.369 -3.398 7.329 1.00 0.00 H new ATOM 0 HA CYS 1 31 8.118 -2.781 4.907 1.00 0.00 H new ATOM 0 HB2 CYS 1 31 7.941 -5.145 6.748 1.00 0.00 H new ATOM 0 HB3 CYS 1 31 7.045 -5.057 5.244 1.00 0.00 H new ATOM 453 N ASN 1 32 6.095 -3.015 7.519 1.00 0.00 N ATOM 454 CA ASN 1 32 4.788 -2.636 8.027 1.00 0.00 C ATOM 455 C ASN 1 32 4.709 -1.111 8.131 1.00 0.00 C ATOM 456 O ASN 1 32 3.671 -0.564 8.499 1.00 0.00 O ATOM 457 CB ASN 1 32 4.549 -3.218 9.422 1.00 0.00 C ATOM 458 CG ASN 1 32 3.730 -4.509 9.345 1.00 0.00 C ATOM 459 OD1 ASN 1 32 2.680 -4.644 9.950 1.00 0.00 O ATOM 460 ND2 ASN 1 32 4.269 -5.445 8.569 1.00 0.00 N ATOM 0 H ASN 1 32 6.684 -3.514 8.186 1.00 0.00 H new ATOM 0 HA ASN 1 32 4.034 -3.023 7.341 1.00 0.00 H new ATOM 0 HB2 ASN 1 32 5.505 -3.418 9.905 1.00 0.00 H new ATOM 0 HB3 ASN 1 32 4.026 -2.488 10.040 1.00 0.00 H new ATOM 0 HD21 ASN 1 32 3.799 -6.343 8.452 1.00 0.00 H new ATOM 0 HD22 ASN 1 32 5.152 -5.265 8.091 1.00 0.00 H new ATOM 467 N ASN 1 33 5.820 -0.469 7.801 1.00 0.00 N ATOM 468 CA ASN 1 33 5.889 0.982 7.853 1.00 0.00 C ATOM 469 C ASN 1 33 5.842 1.541 6.429 1.00 0.00 C ATOM 470 O ASN 1 33 5.369 2.655 6.212 1.00 0.00 O ATOM 471 CB ASN 1 33 7.194 1.448 8.501 1.00 0.00 C ATOM 472 CG ASN 1 33 7.095 2.909 8.942 1.00 0.00 C ATOM 473 OD1 ASN 1 33 6.069 3.556 8.813 1.00 0.00 O ATOM 474 ND2 ASN 1 33 8.217 3.393 9.468 1.00 0.00 N ATOM 0 H ASN 1 33 6.679 -0.926 7.497 1.00 0.00 H new ATOM 0 HA ASN 1 33 5.045 1.339 8.444 1.00 0.00 H new ATOM 0 HB2 ASN 1 33 7.422 0.819 9.362 1.00 0.00 H new ATOM 0 HB3 ASN 1 33 8.016 1.332 7.795 1.00 0.00 H new ATOM 0 HD21 ASN 1 33 8.253 4.359 9.792 1.00 0.00 H new ATOM 0 HD22 ASN 1 33 9.041 2.798 9.547 1.00 0.00 H new ATOM 481 N ARG 1 34 6.340 0.742 5.497 1.00 0.00 N ATOM 482 CA ARG 1 34 6.361 1.143 4.100 1.00 0.00 C ATOM 483 C ARG 1 34 5.026 0.808 3.432 1.00 0.00 C ATOM 484 O ARG 1 34 4.633 1.458 2.464 1.00 0.00 O ATOM 485 CB ARG 1 34 7.492 0.445 3.343 1.00 0.00 C ATOM 486 CG ARG 1 34 8.748 0.337 4.212 1.00 0.00 C ATOM 487 CD ARG 1 34 9.990 0.783 3.437 1.00 0.00 C ATOM 488 NE ARG 1 34 10.563 1.999 4.057 1.00 0.00 N ATOM 489 CZ ARG 1 34 11.394 2.842 3.429 1.00 0.00 C ATOM 490 NH1 ARG 1 34 11.754 2.606 2.160 1.00 0.00 N ATOM 491 NH2 ARG 1 34 11.864 3.920 4.069 1.00 0.00 N ATOM 0 H ARG 1 34 6.732 -0.181 5.682 1.00 0.00 H new ATOM 0 HA ARG 1 34 6.528 2.220 4.067 1.00 0.00 H new ATOM 0 HB2 ARG 1 34 7.170 -0.551 3.038 1.00 0.00 H new ATOM 0 HB3 ARG 1 34 7.722 0.999 2.433 1.00 0.00 H new ATOM 0 HG2 ARG 1 34 8.631 0.952 5.104 1.00 0.00 H new ATOM 0 HG3 ARG 1 34 8.875 -0.692 4.548 1.00 0.00 H new ATOM 0 HD2 ARG 1 34 10.731 -0.016 3.431 1.00 0.00 H new ATOM 0 HD3 ARG 1 34 9.728 0.983 2.398 1.00 0.00 H new ATOM 0 HE ARG 1 34 10.309 2.208 5.023 1.00 0.00 H new ATOM 0 HH11 ARG 1 34 11.395 1.785 1.672 1.00 0.00 H new ATOM 0 HH12 ARG 1 34 12.387 3.247 1.682 1.00 0.00 H new ATOM 0 HH21 ARG 1 34 11.590 4.100 5.035 1.00 0.00 H new ATOM 0 HH22 ARG 1 34 12.497 4.562 3.591 1.00 0.00 H new ATOM 505 N GLY 1 35 4.367 -0.205 3.974 1.00 0.00 N ATOM 506 CA GLY 1 35 3.085 -0.634 3.442 1.00 0.00 C ATOM 507 C GLY 1 35 3.124 -2.110 3.040 1.00 0.00 C ATOM 508 O GLY 1 35 2.374 -2.540 2.165 1.00 0.00 O ATOM 0 H GLY 1 35 4.697 -0.741 4.776 1.00 0.00 H new ATOM 0 HA2 GLY 1 35 2.307 -0.477 4.189 1.00 0.00 H new ATOM 0 HA3 GLY 1 35 2.824 -0.025 2.577 1.00 0.00 H new ATOM 512 N CYS 1 36 4.008 -2.847 3.699 1.00 0.00 N ATOM 513 CA CYS 1 36 4.154 -4.265 3.421 1.00 0.00 C ATOM 514 C CYS 1 36 3.852 -5.040 4.704 1.00 0.00 C ATOM 515 O CYS 1 36 3.609 -4.442 5.752 1.00 0.00 O ATOM 516 CB CYS 1 36 5.545 -4.593 2.870 1.00 0.00 C ATOM 517 SG CYS 1 36 5.940 -3.805 1.267 1.00 0.00 S ATOM 0 H CYS 1 36 4.629 -2.488 4.424 1.00 0.00 H new ATOM 0 HA CYS 1 36 3.448 -4.560 2.645 1.00 0.00 H new ATOM 0 HB2 CYS 1 36 6.292 -4.288 3.603 1.00 0.00 H new ATOM 0 HB3 CYS 1 36 5.631 -5.674 2.759 1.00 0.00 H new ATOM 522 N CYS 1 37 3.879 -6.359 4.582 1.00 0.00 N ATOM 523 CA CYS 1 37 3.610 -7.222 5.720 1.00 0.00 C ATOM 524 C CYS 1 37 4.829 -8.120 5.940 1.00 0.00 C ATOM 525 O CYS 1 37 5.245 -8.841 5.035 1.00 0.00 O ATOM 526 CB CYS 1 37 2.329 -8.035 5.524 1.00 0.00 C ATOM 527 SG CYS 1 37 1.566 -8.650 7.069 1.00 0.00 S ATOM 0 H CYS 1 37 4.083 -6.851 3.712 1.00 0.00 H new ATOM 0 HA CYS 1 37 3.443 -6.614 6.609 1.00 0.00 H new ATOM 0 HB2 CYS 1 37 1.601 -7.418 4.997 1.00 0.00 H new ATOM 0 HB3 CYS 1 37 2.551 -8.887 4.881 1.00 0.00 H new ATOM 532 N PHE 1 38 5.367 -8.047 7.148 1.00 0.00 N ATOM 533 CA PHE 1 38 6.530 -8.845 7.498 1.00 0.00 C ATOM 534 C PHE 1 38 6.114 -10.158 8.165 1.00 0.00 C ATOM 535 O PHE 1 38 5.480 -10.151 9.219 1.00 0.00 O ATOM 536 CB PHE 1 38 7.354 -8.023 8.492 1.00 0.00 C ATOM 537 CG PHE 1 38 8.767 -8.561 8.724 1.00 0.00 C ATOM 538 CD1 PHE 1 38 9.794 -8.135 7.940 1.00 0.00 C ATOM 539 CD2 PHE 1 38 8.997 -9.465 9.713 1.00 0.00 C ATOM 540 CE1 PHE 1 38 11.106 -8.635 8.155 1.00 0.00 C ATOM 541 CE2 PHE 1 38 10.309 -9.963 9.929 1.00 0.00 C ATOM 542 CZ PHE 1 38 11.336 -9.538 9.145 1.00 0.00 C ATOM 0 H PHE 1 38 5.019 -7.448 7.897 1.00 0.00 H new ATOM 0 HA PHE 1 38 7.098 -9.088 6.600 1.00 0.00 H new ATOM 0 HB2 PHE 1 38 7.422 -6.997 8.131 1.00 0.00 H new ATOM 0 HB3 PHE 1 38 6.827 -7.991 9.446 1.00 0.00 H new ATOM 0 HD1 PHE 1 38 9.612 -7.417 7.154 1.00 0.00 H new ATOM 0 HD2 PHE 1 38 8.182 -9.804 10.335 1.00 0.00 H new ATOM 0 HE1 PHE 1 38 11.921 -8.298 7.532 1.00 0.00 H new ATOM 0 HE2 PHE 1 38 10.492 -10.680 10.716 1.00 0.00 H new ATOM 0 HZ PHE 1 38 12.334 -9.918 9.309 1.00 0.00 H new ATOM 552 N ASP 1 39 6.487 -11.255 7.521 1.00 0.00 N ATOM 553 CA ASP 1 39 6.161 -12.573 8.037 1.00 0.00 C ATOM 554 C ASP 1 39 7.232 -13.002 9.043 1.00 0.00 C ATOM 555 O ASP 1 39 7.028 -12.900 10.252 1.00 0.00 O ATOM 556 CB ASP 1 39 6.125 -13.611 6.914 1.00 0.00 C ATOM 557 CG ASP 1 39 5.829 -15.043 7.366 1.00 0.00 C ATOM 558 OD1 ASP 1 39 4.688 -15.270 7.822 1.00 0.00 O ATOM 559 OD2 ASP 1 39 6.751 -15.878 7.244 1.00 0.00 O ATOM 0 H ASP 1 39 7.012 -11.257 6.646 1.00 0.00 H new ATOM 0 HA ASP 1 39 5.180 -12.517 8.508 1.00 0.00 H new ATOM 0 HB2 ASP 1 39 5.370 -13.312 6.187 1.00 0.00 H new ATOM 0 HB3 ASP 1 39 7.085 -13.600 6.398 1.00 0.00 H new ATOM 564 N SER 1 40 8.348 -13.471 8.507 1.00 0.00 N ATOM 565 CA SER 1 40 9.450 -13.915 9.341 1.00 0.00 C ATOM 566 C SER 1 40 9.242 -15.375 9.751 1.00 0.00 C ATOM 567 O SER 1 40 10.169 -16.028 10.226 1.00 0.00 O ATOM 568 CB SER 1 40 9.592 -13.031 10.583 1.00 0.00 C ATOM 569 OG SER 1 40 10.957 -12.825 10.939 1.00 0.00 O ATOM 0 H SER 1 40 8.513 -13.553 7.504 1.00 0.00 H new ATOM 0 HA SER 1 40 10.370 -13.834 8.762 1.00 0.00 H new ATOM 0 HB2 SER 1 40 9.116 -12.068 10.399 1.00 0.00 H new ATOM 0 HB3 SER 1 40 9.065 -13.492 11.418 1.00 0.00 H new ATOM 0 HG SER 1 40 11.435 -13.680 10.913 1.00 0.00 H new ATOM 575 N ARG 1 41 8.018 -15.843 9.552 1.00 0.00 N ATOM 576 CA ARG 1 41 7.677 -17.213 9.894 1.00 0.00 C ATOM 577 C ARG 1 41 8.439 -18.190 8.996 1.00 0.00 C ATOM 578 O ARG 1 41 8.943 -19.208 9.469 1.00 0.00 O ATOM 579 CB ARG 1 41 6.174 -17.459 9.744 1.00 0.00 C ATOM 580 CG ARG 1 41 5.367 -16.349 10.421 1.00 0.00 C ATOM 581 CD ARG 1 41 3.886 -16.726 10.509 1.00 0.00 C ATOM 582 NE ARG 1 41 3.405 -17.201 9.193 1.00 0.00 N ATOM 583 CZ ARG 1 41 3.392 -18.487 8.818 1.00 0.00 C ATOM 584 NH1 ARG 1 41 3.834 -19.434 9.657 1.00 0.00 N ATOM 585 NH2 ARG 1 41 2.937 -18.828 7.604 1.00 0.00 N ATOM 0 H ARG 1 41 7.251 -15.298 9.158 1.00 0.00 H new ATOM 0 HA ARG 1 41 7.959 -17.376 10.934 1.00 0.00 H new ATOM 0 HB2 ARG 1 41 5.914 -17.510 8.687 1.00 0.00 H new ATOM 0 HB3 ARG 1 41 5.914 -18.422 10.183 1.00 0.00 H new ATOM 0 HG2 ARG 1 41 5.760 -16.167 11.421 1.00 0.00 H new ATOM 0 HG3 ARG 1 41 5.477 -15.420 9.861 1.00 0.00 H new ATOM 0 HD2 ARG 1 41 3.744 -17.504 11.259 1.00 0.00 H new ATOM 0 HD3 ARG 1 41 3.301 -15.864 10.829 1.00 0.00 H new ATOM 0 HE ARG 1 41 3.062 -16.506 8.530 1.00 0.00 H new ATOM 0 HH11 ARG 1 41 4.180 -19.176 10.581 1.00 0.00 H new ATOM 0 HH12 ARG 1 41 3.824 -20.413 9.372 1.00 0.00 H new ATOM 0 HH21 ARG 1 41 2.600 -18.108 6.965 1.00 0.00 H new ATOM 0 HH22 ARG 1 41 2.928 -19.807 7.319 1.00 0.00 H new ATOM 599 N ILE 1 42 8.499 -17.846 7.719 1.00 0.00 N ATOM 600 CA ILE 1 42 9.190 -18.680 6.751 1.00 0.00 C ATOM 601 C ILE 1 42 10.285 -17.859 6.066 1.00 0.00 C ATOM 602 O ILE 1 42 9.991 -16.966 5.273 1.00 0.00 O ATOM 603 CB ILE 1 42 8.193 -19.310 5.776 1.00 0.00 C ATOM 604 CG1 ILE 1 42 6.849 -19.572 6.459 1.00 0.00 C ATOM 605 CG2 ILE 1 42 8.771 -20.577 5.143 1.00 0.00 C ATOM 606 CD1 ILE 1 42 5.959 -20.465 5.593 1.00 0.00 C ATOM 0 H ILE 1 42 8.080 -17.000 7.332 1.00 0.00 H new ATOM 0 HA ILE 1 42 9.682 -19.515 7.251 1.00 0.00 H new ATOM 0 HB ILE 1 42 8.011 -18.601 4.968 1.00 0.00 H new ATOM 0 HG12 ILE 1 42 7.015 -20.046 7.426 1.00 0.00 H new ATOM 0 HG13 ILE 1 42 6.344 -18.625 6.651 1.00 0.00 H new ATOM 0 HG21 ILE 1 42 8.042 -21.005 4.454 1.00 0.00 H new ATOM 0 HG22 ILE 1 42 9.682 -20.329 4.599 1.00 0.00 H new ATOM 0 HG23 ILE 1 42 9.001 -21.302 5.924 1.00 0.00 H new ATOM 0 HD11 ILE 1 42 5.010 -20.636 6.102 1.00 0.00 H new ATOM 0 HD12 ILE 1 42 5.775 -19.977 4.636 1.00 0.00 H new ATOM 0 HD13 ILE 1 42 6.457 -21.420 5.424 1.00 0.00 H new ATOM 618 N PRO 1 43 11.557 -18.200 6.407 1.00 0.00 N ATOM 619 CA PRO 1 43 12.697 -17.504 5.834 1.00 0.00 C ATOM 620 C PRO 1 43 12.931 -17.937 4.385 1.00 0.00 C ATOM 621 O PRO 1 43 13.820 -17.414 3.713 1.00 0.00 O ATOM 622 CB PRO 1 43 13.863 -17.838 6.749 1.00 0.00 C ATOM 623 CG PRO 1 43 13.440 -19.073 7.529 1.00 0.00 C ATOM 624 CD PRO 1 43 11.943 -19.252 7.342 1.00 0.00 C ATOM 0 HA PRO 1 43 12.548 -16.426 5.779 1.00 0.00 H new ATOM 0 HB2 PRO 1 43 14.768 -18.031 6.173 1.00 0.00 H new ATOM 0 HB3 PRO 1 43 14.083 -17.008 7.421 1.00 0.00 H new ATOM 0 HG2 PRO 1 43 13.977 -19.952 7.173 1.00 0.00 H new ATOM 0 HG3 PRO 1 43 13.682 -18.958 8.586 1.00 0.00 H new ATOM 0 HD2 PRO 1 43 11.709 -20.240 6.945 1.00 0.00 H new ATOM 0 HD3 PRO 1 43 11.411 -19.155 8.289 1.00 0.00 H new ATOM 632 N GLY 1 44 12.120 -18.888 3.946 1.00 0.00 N ATOM 633 CA GLY 1 44 12.227 -19.396 2.589 1.00 0.00 C ATOM 634 C GLY 1 44 11.286 -18.646 1.645 1.00 0.00 C ATOM 635 O GLY 1 44 11.334 -18.840 0.431 1.00 0.00 O ATOM 0 H GLY 1 44 11.386 -19.320 4.506 1.00 0.00 H new ATOM 0 HA2 GLY 1 44 13.254 -19.295 2.239 1.00 0.00 H new ATOM 0 HA3 GLY 1 44 11.989 -20.460 2.576 1.00 0.00 H new ATOM 639 N VAL 1 45 10.452 -17.805 2.239 1.00 0.00 N ATOM 640 CA VAL 1 45 9.500 -17.024 1.466 1.00 0.00 C ATOM 641 C VAL 1 45 9.745 -15.535 1.718 1.00 0.00 C ATOM 642 O VAL 1 45 10.686 -15.167 2.419 1.00 0.00 O ATOM 643 CB VAL 1 45 8.072 -17.460 1.799 1.00 0.00 C ATOM 644 CG1 VAL 1 45 8.010 -18.963 2.081 1.00 0.00 C ATOM 645 CG2 VAL 1 45 7.516 -16.658 2.977 1.00 0.00 C ATOM 0 H VAL 1 45 10.415 -17.647 3.246 1.00 0.00 H new ATOM 0 HA VAL 1 45 9.638 -17.200 0.399 1.00 0.00 H new ATOM 0 HB VAL 1 45 7.447 -17.256 0.930 1.00 0.00 H new ATOM 0 HG11 VAL 1 45 6.984 -19.247 2.315 1.00 0.00 H new ATOM 0 HG12 VAL 1 45 8.347 -19.512 1.202 1.00 0.00 H new ATOM 0 HG13 VAL 1 45 8.655 -19.201 2.927 1.00 0.00 H new ATOM 0 HG21 VAL 1 45 6.500 -16.987 3.194 1.00 0.00 H new ATOM 0 HG22 VAL 1 45 8.144 -16.817 3.854 1.00 0.00 H new ATOM 0 HG23 VAL 1 45 7.508 -15.598 2.724 1.00 0.00 H new ATOM 655 N PRO 1 46 8.859 -14.697 1.116 1.00 0.00 N ATOM 656 CA PRO 1 46 8.969 -13.256 1.268 1.00 0.00 C ATOM 657 C PRO 1 46 8.499 -12.814 2.656 1.00 0.00 C ATOM 658 O PRO 1 46 7.333 -12.993 3.007 1.00 0.00 O ATOM 659 CB PRO 1 46 8.128 -12.676 0.144 1.00 0.00 C ATOM 660 CG PRO 1 46 7.208 -13.797 -0.310 1.00 0.00 C ATOM 661 CD PRO 1 46 7.733 -15.098 0.278 1.00 0.00 C ATOM 0 HA PRO 1 46 9.998 -12.903 1.200 1.00 0.00 H new ATOM 0 HB2 PRO 1 46 7.554 -11.816 0.489 1.00 0.00 H new ATOM 0 HB3 PRO 1 46 8.757 -12.331 -0.676 1.00 0.00 H new ATOM 0 HG2 PRO 1 46 6.187 -13.612 0.024 1.00 0.00 H new ATOM 0 HG3 PRO 1 46 7.182 -13.853 -1.398 1.00 0.00 H new ATOM 0 HD2 PRO 1 46 6.966 -15.607 0.862 1.00 0.00 H new ATOM 0 HD3 PRO 1 46 8.048 -15.788 -0.505 1.00 0.00 H new ATOM 669 N TRP 1 47 9.430 -12.245 3.408 1.00 0.00 N ATOM 670 CA TRP 1 47 9.125 -11.776 4.749 1.00 0.00 C ATOM 671 C TRP 1 47 8.736 -10.299 4.656 1.00 0.00 C ATOM 672 O TRP 1 47 8.940 -9.539 5.602 1.00 0.00 O ATOM 673 CB TRP 1 47 10.299 -12.026 5.698 1.00 0.00 C ATOM 674 CG TRP 1 47 11.421 -12.870 5.089 1.00 0.00 C ATOM 675 CD1 TRP 1 47 11.538 -14.205 5.079 1.00 0.00 C ATOM 676 CD2 TRP 1 47 12.589 -12.378 4.399 1.00 0.00 C ATOM 677 NE1 TRP 1 47 12.690 -14.608 4.436 1.00 0.00 N ATOM 678 CE2 TRP 1 47 13.349 -13.461 4.008 1.00 0.00 C ATOM 679 CE3 TRP 1 47 12.990 -11.061 4.113 1.00 0.00 C ATOM 680 CZ2 TRP 1 47 14.557 -13.339 3.310 1.00 0.00 C ATOM 681 CZ3 TRP 1 47 14.198 -10.955 3.415 1.00 0.00 C ATOM 682 CH2 TRP 1 47 14.976 -12.036 3.015 1.00 0.00 C ATOM 0 H TRP 1 47 10.396 -12.098 3.114 1.00 0.00 H new ATOM 0 HA TRP 1 47 8.287 -12.331 5.170 1.00 0.00 H new ATOM 0 HB2 TRP 1 47 10.710 -11.067 6.013 1.00 0.00 H new ATOM 0 HB3 TRP 1 47 9.929 -12.524 6.594 1.00 0.00 H new ATOM 0 HD1 TRP 1 47 10.820 -14.881 5.519 1.00 0.00 H new ATOM 0 HE1 TRP 1 47 13.001 -15.570 4.300 1.00 0.00 H new ATOM 0 HE3 TRP 1 47 12.411 -10.199 4.409 1.00 0.00 H new ATOM 0 HZ2 TRP 1 47 15.134 -14.203 3.015 1.00 0.00 H new ATOM 0 HZ3 TRP 1 47 14.551 -9.964 3.170 1.00 0.00 H new ATOM 0 HH2 TRP 1 47 15.899 -11.871 2.479 1.00 0.00 H new ATOM 693 N CYS 1 48 8.184 -9.936 3.507 1.00 0.00 N ATOM 694 CA CYS 1 48 7.766 -8.564 3.279 1.00 0.00 C ATOM 695 C CYS 1 48 6.962 -8.517 1.978 1.00 0.00 C ATOM 696 O CYS 1 48 7.521 -8.666 0.893 1.00 0.00 O ATOM 697 CB CYS 1 48 8.958 -7.606 3.248 1.00 0.00 C ATOM 698 SG CYS 1 48 8.516 -5.833 3.152 1.00 0.00 S ATOM 0 H CYS 1 48 8.017 -10.569 2.725 1.00 0.00 H new ATOM 0 HA CYS 1 48 7.138 -8.231 4.106 1.00 0.00 H new ATOM 0 HB2 CYS 1 48 9.560 -7.768 4.142 1.00 0.00 H new ATOM 0 HB3 CYS 1 48 9.585 -7.856 2.392 1.00 0.00 H new ATOM 703 N PHE 1 49 5.662 -8.310 2.130 1.00 0.00 N ATOM 704 CA PHE 1 49 4.775 -8.242 0.981 1.00 0.00 C ATOM 705 C PHE 1 49 3.646 -7.237 1.217 1.00 0.00 C ATOM 706 O PHE 1 49 3.688 -6.465 2.174 1.00 0.00 O ATOM 707 CB PHE 1 49 4.172 -9.636 0.798 1.00 0.00 C ATOM 708 CG PHE 1 49 4.058 -10.439 2.095 1.00 0.00 C ATOM 709 CD1 PHE 1 49 5.179 -10.907 2.706 1.00 0.00 C ATOM 710 CD2 PHE 1 49 2.836 -10.685 2.638 1.00 0.00 C ATOM 711 CE1 PHE 1 49 5.074 -11.652 3.910 1.00 0.00 C ATOM 712 CE2 PHE 1 49 2.729 -11.431 3.841 1.00 0.00 C ATOM 713 CZ PHE 1 49 3.851 -11.899 4.452 1.00 0.00 C ATOM 0 H PHE 1 49 5.202 -8.187 3.032 1.00 0.00 H new ATOM 0 HA PHE 1 49 5.332 -7.921 0.101 1.00 0.00 H new ATOM 0 HB2 PHE 1 49 3.181 -9.537 0.356 1.00 0.00 H new ATOM 0 HB3 PHE 1 49 4.783 -10.195 0.089 1.00 0.00 H new ATOM 0 HD1 PHE 1 49 6.150 -10.712 2.275 1.00 0.00 H new ATOM 0 HD2 PHE 1 49 1.946 -10.312 2.153 1.00 0.00 H new ATOM 0 HE1 PHE 1 49 5.965 -12.022 4.395 1.00 0.00 H new ATOM 0 HE2 PHE 1 49 1.758 -11.627 4.271 1.00 0.00 H new ATOM 0 HZ PHE 1 49 3.771 -12.467 5.367 1.00 0.00 H new ATOM 723 N LYS 1 50 2.663 -7.279 0.330 1.00 0.00 N ATOM 724 CA LYS 1 50 1.526 -6.382 0.430 1.00 0.00 C ATOM 725 C LYS 1 50 0.236 -7.204 0.473 1.00 0.00 C ATOM 726 O LYS 1 50 -0.539 -7.199 -0.483 1.00 0.00 O ATOM 727 CB LYS 1 50 1.558 -5.346 -0.696 1.00 0.00 C ATOM 728 CG LYS 1 50 2.521 -5.774 -1.805 1.00 0.00 C ATOM 729 CD LYS 1 50 3.947 -5.304 -1.505 1.00 0.00 C ATOM 730 CE LYS 1 50 3.976 -3.807 -1.192 1.00 0.00 C ATOM 731 NZ LYS 1 50 3.034 -3.076 -2.067 1.00 0.00 N ATOM 0 H LYS 1 50 2.631 -7.921 -0.462 1.00 0.00 H new ATOM 0 HA LYS 1 50 1.572 -5.811 1.357 1.00 0.00 H new ATOM 0 HB2 LYS 1 50 0.557 -5.219 -1.107 1.00 0.00 H new ATOM 0 HB3 LYS 1 50 1.863 -4.379 -0.297 1.00 0.00 H new ATOM 0 HG2 LYS 1 50 2.506 -6.859 -1.906 1.00 0.00 H new ATOM 0 HG3 LYS 1 50 2.191 -5.360 -2.758 1.00 0.00 H new ATOM 0 HD2 LYS 1 50 4.348 -5.864 -0.660 1.00 0.00 H new ATOM 0 HD3 LYS 1 50 4.590 -5.513 -2.360 1.00 0.00 H new ATOM 0 HE2 LYS 1 50 3.713 -3.643 -0.147 1.00 0.00 H new ATOM 0 HE3 LYS 1 50 4.985 -3.420 -1.331 1.00 0.00 H new ATOM 0 HZ1 LYS 1 50 3.198 -2.053 -1.975 1.00 0.00 H new ATOM 0 HZ2 LYS 1 50 3.184 -3.364 -3.055 1.00 0.00 H new ATOM 0 HZ3 LYS 1 50 2.057 -3.297 -1.786 1.00 0.00 H new ATOM 745 N PRO 1 51 0.040 -7.908 1.620 1.00 0.00 N ATOM 746 CA PRO 1 51 -1.143 -8.733 1.799 1.00 0.00 C ATOM 747 C PRO 1 51 -2.376 -7.871 2.077 1.00 0.00 C ATOM 748 O PRO 1 51 -2.959 -7.301 1.157 1.00 0.00 O ATOM 749 CB PRO 1 51 -0.799 -9.667 2.948 1.00 0.00 C ATOM 750 CG PRO 1 51 0.374 -9.026 3.671 1.00 0.00 C ATOM 751 CD PRO 1 51 0.936 -7.937 2.772 1.00 0.00 C ATOM 0 HA PRO 1 51 -1.400 -9.300 0.905 1.00 0.00 H new ATOM 0 HB2 PRO 1 51 -1.650 -9.791 3.618 1.00 0.00 H new ATOM 0 HB3 PRO 1 51 -0.536 -10.659 2.580 1.00 0.00 H new ATOM 0 HG2 PRO 1 51 0.052 -8.606 4.624 1.00 0.00 H new ATOM 0 HG3 PRO 1 51 1.139 -9.770 3.893 1.00 0.00 H new ATOM 0 HD2 PRO 1 51 0.956 -6.974 3.282 1.00 0.00 H new ATOM 0 HD3 PRO 1 51 1.960 -8.161 2.472 1.00 0.00 H new ATOM 759 N LEU 1 52 -2.736 -7.803 3.350 1.00 0.00 N ATOM 760 CA LEU 1 52 -3.889 -7.020 3.761 1.00 0.00 C ATOM 761 C LEU 1 52 -3.439 -5.598 4.099 1.00 0.00 C ATOM 762 O LEU 1 52 -3.996 -4.962 4.994 1.00 0.00 O ATOM 763 CB LEU 1 52 -4.631 -7.718 4.903 1.00 0.00 C ATOM 764 CG LEU 1 52 -4.124 -7.417 6.315 1.00 0.00 C ATOM 765 CD1 LEU 1 52 -5.175 -6.652 7.122 1.00 0.00 C ATOM 766 CD2 LEU 1 52 -3.678 -8.698 7.022 1.00 0.00 C ATOM 0 H LEU 1 52 -2.250 -8.277 4.111 1.00 0.00 H new ATOM 0 HA LEU 1 52 -4.608 -6.942 2.945 1.00 0.00 H new ATOM 0 HB2 LEU 1 52 -5.684 -7.440 4.849 1.00 0.00 H new ATOM 0 HB3 LEU 1 52 -4.577 -8.794 4.741 1.00 0.00 H new ATOM 0 HG LEU 1 52 -3.248 -6.773 6.234 1.00 0.00 H new ATOM 0 HD11 LEU 1 52 -4.790 -6.450 8.122 1.00 0.00 H new ATOM 0 HD12 LEU 1 52 -5.402 -5.710 6.623 1.00 0.00 H new ATOM 0 HD13 LEU 1 52 -6.083 -7.250 7.197 1.00 0.00 H new ATOM 0 HD21 LEU 1 52 -3.322 -8.456 8.023 1.00 0.00 H new ATOM 0 HD22 LEU 1 52 -4.520 -9.387 7.093 1.00 0.00 H new ATOM 0 HD23 LEU 1 52 -2.873 -9.166 6.454 1.00 0.00 H new ATOM 778 N GLN 1 53 -2.437 -5.138 3.365 1.00 0.00 N ATOM 779 CA GLN 1 53 -1.906 -3.801 3.575 1.00 0.00 C ATOM 780 C GLN 1 53 -3.036 -2.771 3.540 1.00 0.00 C ATOM 781 O GLN 1 53 -2.879 -1.655 4.033 1.00 0.00 O ATOM 782 CB GLN 1 53 -0.828 -3.470 2.542 1.00 0.00 C ATOM 783 CG GLN 1 53 0.360 -4.428 2.662 1.00 0.00 C ATOM 784 CD GLN 1 53 0.985 -4.353 4.056 1.00 0.00 C ATOM 785 OE1 GLN 1 53 1.304 -5.355 4.676 1.00 0.00 O ATOM 786 NE2 GLN 1 53 1.141 -3.115 4.515 1.00 0.00 N ATOM 0 H GLN 1 53 -1.978 -5.667 2.624 1.00 0.00 H new ATOM 0 HA GLN 1 53 -1.440 -3.766 4.560 1.00 0.00 H new ATOM 0 HB2 GLN 1 53 -1.250 -3.532 1.539 1.00 0.00 H new ATOM 0 HB3 GLN 1 53 -0.488 -2.444 2.682 1.00 0.00 H new ATOM 0 HG2 GLN 1 53 0.031 -5.448 2.461 1.00 0.00 H new ATOM 0 HG3 GLN 1 53 1.109 -4.180 1.910 1.00 0.00 H new ATOM 0 HE21 GLN 1 53 0.853 -2.320 3.945 1.00 0.00 H new ATOM 0 HE22 GLN 1 53 1.549 -2.961 5.437 1.00 0.00 H new ATOM 795 N GLU 1 54 -4.149 -3.180 2.950 1.00 0.00 N ATOM 796 CA GLU 1 54 -5.304 -2.306 2.843 1.00 0.00 C ATOM 797 C GLU 1 54 -5.501 -1.524 4.143 1.00 0.00 C ATOM 798 O GLU 1 54 -6.055 -0.425 4.133 1.00 0.00 O ATOM 799 CB GLU 1 54 -6.563 -3.100 2.486 1.00 0.00 C ATOM 800 CG GLU 1 54 -7.306 -3.545 3.748 1.00 0.00 C ATOM 801 CD GLU 1 54 -8.540 -4.376 3.392 1.00 0.00 C ATOM 802 OE1 GLU 1 54 -8.594 -4.845 2.234 1.00 0.00 O ATOM 803 OE2 GLU 1 54 -9.401 -4.524 4.286 1.00 0.00 O ATOM 0 H GLU 1 54 -4.275 -4.106 2.541 1.00 0.00 H new ATOM 0 HA GLU 1 54 -5.122 -1.595 2.037 1.00 0.00 H new ATOM 0 HB2 GLU 1 54 -7.221 -2.488 1.869 1.00 0.00 H new ATOM 0 HB3 GLU 1 54 -6.291 -3.973 1.893 1.00 0.00 H new ATOM 0 HG2 GLU 1 54 -6.638 -4.131 4.380 1.00 0.00 H new ATOM 0 HG3 GLU 1 54 -7.606 -2.671 4.325 1.00 0.00 H new ATOM 810 N ALA 1 55 -5.035 -2.120 5.231 1.00 0.00 N ATOM 811 CA ALA 1 55 -5.153 -1.492 6.537 1.00 0.00 C ATOM 812 C ALA 1 55 -4.943 0.017 6.393 1.00 0.00 C ATOM 813 O ALA 1 55 -5.896 0.790 6.477 1.00 0.00 O ATOM 814 CB ALA 1 55 -4.151 -2.130 7.502 1.00 0.00 C ATOM 0 H ALA 1 55 -4.575 -3.031 5.235 1.00 0.00 H new ATOM 0 HA ALA 1 55 -6.150 -1.649 6.950 1.00 0.00 H new ATOM 0 HB1 ALA 1 55 -4.239 -1.660 8.481 1.00 0.00 H new ATOM 0 HB2 ALA 1 55 -4.360 -3.196 7.591 1.00 0.00 H new ATOM 0 HB3 ALA 1 55 -3.139 -1.989 7.122 1.00 0.00 H new ATOM 820 N GLU 1 56 -3.690 0.391 6.178 1.00 0.00 N ATOM 821 CA GLU 1 56 -3.343 1.793 6.023 1.00 0.00 C ATOM 822 C GLU 1 56 -2.541 2.002 4.737 1.00 0.00 C ATOM 823 O GLU 1 56 -1.785 2.966 4.622 1.00 0.00 O ATOM 824 CB GLU 1 56 -2.571 2.305 7.240 1.00 0.00 C ATOM 825 CG GLU 1 56 -3.483 3.114 8.167 1.00 0.00 C ATOM 826 CD GLU 1 56 -3.424 4.604 7.829 1.00 0.00 C ATOM 827 OE1 GLU 1 56 -4.073 4.987 6.831 1.00 0.00 O ATOM 828 OE2 GLU 1 56 -2.732 5.329 8.577 1.00 0.00 O ATOM 0 H GLU 1 56 -2.902 -0.253 6.108 1.00 0.00 H new ATOM 0 HA GLU 1 56 -4.265 2.369 5.951 1.00 0.00 H new ATOM 0 HB2 GLU 1 56 -2.146 1.463 7.786 1.00 0.00 H new ATOM 0 HB3 GLU 1 56 -1.737 2.926 6.912 1.00 0.00 H new ATOM 0 HG2 GLU 1 56 -4.509 2.757 8.076 1.00 0.00 H new ATOM 0 HG3 GLU 1 56 -3.183 2.960 9.203 1.00 0.00 H new ATOM 835 N CYS 1 57 -2.732 1.083 3.802 1.00 0.00 N ATOM 836 CA CYS 1 57 -2.036 1.154 2.529 1.00 0.00 C ATOM 837 C CYS 1 57 -3.030 1.620 1.463 1.00 0.00 C ATOM 838 O CYS 1 57 -2.768 2.584 0.745 1.00 0.00 O ATOM 839 CB CYS 1 57 -1.391 -0.184 2.161 1.00 0.00 C ATOM 840 SG CYS 1 57 0.033 -0.061 1.019 1.00 0.00 S ATOM 0 H CYS 1 57 -3.359 0.285 3.901 1.00 0.00 H new ATOM 0 HA CYS 1 57 -1.217 1.870 2.599 1.00 0.00 H new ATOM 0 HB2 CYS 1 57 -1.063 -0.677 3.076 1.00 0.00 H new ATOM 0 HB3 CYS 1 57 -2.148 -0.824 1.708 1.00 0.00 H new ATOM 845 N THR 1 58 -4.149 0.913 1.394 1.00 0.00 N ATOM 846 CA THR 1 58 -5.183 1.243 0.427 1.00 0.00 C ATOM 847 C THR 1 58 -6.037 2.406 0.936 1.00 0.00 C ATOM 848 O THR 1 58 -6.448 3.266 0.159 1.00 0.00 O ATOM 849 CB THR 1 58 -5.989 -0.026 0.146 1.00 0.00 C ATOM 850 OG1 THR 1 58 -6.592 0.220 -1.122 1.00 0.00 O ATOM 851 CG2 THR 1 58 -7.174 -0.191 1.098 1.00 0.00 C ATOM 0 H THR 1 58 -4.362 0.114 1.991 1.00 0.00 H new ATOM 0 HA THR 1 58 -4.751 1.586 -0.513 1.00 0.00 H new ATOM 0 HB THR 1 58 -5.337 -0.895 0.227 1.00 0.00 H new ATOM 0 HG1 THR 1 58 -7.511 -0.122 -1.119 1.00 0.00 H new ATOM 0 HG21 THR 1 58 -7.712 -1.107 0.854 1.00 0.00 H new ATOM 0 HG22 THR 1 58 -6.811 -0.245 2.124 1.00 0.00 H new ATOM 0 HG23 THR 1 58 -7.845 0.662 0.995 1.00 0.00 H new ATOM 859 N PHE 1 59 -6.281 2.393 2.239 1.00 0.00 N ATOM 860 CA PHE 1 59 -7.079 3.436 2.861 1.00 0.00 C ATOM 861 C PHE 1 59 -6.860 4.781 2.167 1.00 0.00 C ATOM 862 O PHE 1 59 -5.768 5.344 2.227 1.00 0.00 O ATOM 863 CB PHE 1 59 -6.618 3.543 4.316 1.00 0.00 C ATOM 864 CG PHE 1 59 -7.681 4.100 5.265 1.00 0.00 C ATOM 865 CD1 PHE 1 59 -7.968 5.430 5.261 1.00 0.00 C ATOM 866 CD2 PHE 1 59 -8.340 3.266 6.114 1.00 0.00 C ATOM 867 CE1 PHE 1 59 -8.953 5.946 6.143 1.00 0.00 C ATOM 868 CE2 PHE 1 59 -9.326 3.783 6.994 1.00 0.00 C ATOM 869 CZ PHE 1 59 -9.612 5.112 6.991 1.00 0.00 C ATOM 0 H PHE 1 59 -5.940 1.677 2.880 1.00 0.00 H new ATOM 0 HA PHE 1 59 -8.138 3.189 2.787 1.00 0.00 H new ATOM 0 HB2 PHE 1 59 -6.316 2.555 4.664 1.00 0.00 H new ATOM 0 HB3 PHE 1 59 -5.735 4.181 4.361 1.00 0.00 H new ATOM 0 HD1 PHE 1 59 -7.446 6.093 4.587 1.00 0.00 H new ATOM 0 HD2 PHE 1 59 -8.113 2.210 6.118 1.00 0.00 H new ATOM 0 HE1 PHE 1 59 -9.179 7.002 6.141 1.00 0.00 H new ATOM 0 HE2 PHE 1 59 -9.850 3.120 7.667 1.00 0.00 H new ATOM 0 HZ PHE 1 59 -10.362 5.505 7.661 1.00 0.00 H new TER 879 PHE 1 59 ATOM 880 N GLU 2 1 -18.701 -4.441 1.131 1.00 0.00 N ATOM 881 CA GLU 2 1 -17.397 -4.265 0.515 1.00 0.00 C ATOM 882 C GLU 2 1 -17.502 -3.332 -0.694 1.00 0.00 C ATOM 883 O GLU 2 1 -17.137 -3.708 -1.806 1.00 0.00 O ATOM 884 CB GLU 2 1 -16.793 -5.612 0.117 1.00 0.00 C ATOM 885 CG GLU 2 1 -15.933 -6.183 1.246 1.00 0.00 C ATOM 886 CD GLU 2 1 -16.260 -7.657 1.493 1.00 0.00 C ATOM 887 OE1 GLU 2 1 -16.447 -8.373 0.486 1.00 0.00 O ATOM 888 OE2 GLU 2 1 -16.316 -8.035 2.684 1.00 0.00 O ATOM 0 H1 GLU 2 1 -18.615 -5.076 1.950 1.00 0.00 H new ATOM 0 H2 GLU 2 1 -19.064 -3.518 1.445 1.00 0.00 H new ATOM 0 H3 GLU 2 1 -19.359 -4.855 0.440 1.00 0.00 H new ATOM 0 HA GLU 2 1 -16.731 -3.807 1.246 1.00 0.00 H new ATOM 0 HB2 GLU 2 1 -17.590 -6.314 -0.128 1.00 0.00 H new ATOM 0 HB3 GLU 2 1 -16.187 -5.492 -0.781 1.00 0.00 H new ATOM 0 HG2 GLU 2 1 -14.878 -6.078 0.993 1.00 0.00 H new ATOM 0 HG3 GLU 2 1 -16.100 -5.612 2.159 1.00 0.00 H new ATOM 895 N GLU 2 2 -18.003 -2.133 -0.434 1.00 0.00 N ATOM 896 CA GLU 2 2 -18.162 -1.144 -1.485 1.00 0.00 C ATOM 897 C GLU 2 2 -16.860 -0.363 -1.680 1.00 0.00 C ATOM 898 O GLU 2 2 -16.766 0.801 -1.291 1.00 0.00 O ATOM 899 CB GLU 2 2 -19.328 -0.201 -1.181 1.00 0.00 C ATOM 900 CG GLU 2 2 -20.662 -0.946 -1.227 1.00 0.00 C ATOM 901 CD GLU 2 2 -21.248 -1.109 0.178 1.00 0.00 C ATOM 902 OE1 GLU 2 2 -21.125 -0.141 0.959 1.00 0.00 O ATOM 903 OE2 GLU 2 2 -21.804 -2.197 0.438 1.00 0.00 O ATOM 0 H GLU 2 2 -18.304 -1.825 0.490 1.00 0.00 H new ATOM 0 HA GLU 2 2 -18.393 -1.664 -2.414 1.00 0.00 H new ATOM 0 HB2 GLU 2 2 -19.191 0.246 -0.197 1.00 0.00 H new ATOM 0 HB3 GLU 2 2 -19.338 0.615 -1.903 1.00 0.00 H new ATOM 0 HG2 GLU 2 2 -21.365 -0.402 -1.857 1.00 0.00 H new ATOM 0 HG3 GLU 2 2 -20.520 -1.926 -1.682 1.00 0.00 H new ATOM 910 N TYR 2 3 -15.888 -1.034 -2.280 1.00 0.00 N ATOM 911 CA TYR 2 3 -14.597 -0.418 -2.530 1.00 0.00 C ATOM 912 C TYR 2 3 -14.671 0.548 -3.715 1.00 0.00 C ATOM 913 O TYR 2 3 -14.323 0.187 -4.838 1.00 0.00 O ATOM 914 CB TYR 2 3 -13.644 -1.563 -2.880 1.00 0.00 C ATOM 915 CG TYR 2 3 -12.947 -2.184 -1.668 1.00 0.00 C ATOM 916 CD1 TYR 2 3 -12.170 -1.398 -0.841 1.00 0.00 C ATOM 917 CD2 TYR 2 3 -13.095 -3.530 -1.402 1.00 0.00 C ATOM 918 CE1 TYR 2 3 -11.513 -1.982 0.300 1.00 0.00 C ATOM 919 CE2 TYR 2 3 -12.438 -4.115 -0.261 1.00 0.00 C ATOM 920 CZ TYR 2 3 -11.680 -3.311 0.533 1.00 0.00 C ATOM 921 OH TYR 2 3 -11.060 -3.863 1.611 1.00 0.00 O ATOM 0 H TYR 2 3 -15.969 -1.999 -2.600 1.00 0.00 H new ATOM 0 HA TYR 2 3 -14.267 0.149 -1.660 1.00 0.00 H new ATOM 0 HB2 TYR 2 3 -14.202 -2.340 -3.403 1.00 0.00 H new ATOM 0 HB3 TYR 2 3 -12.887 -1.194 -3.572 1.00 0.00 H new ATOM 0 HD1 TYR 2 3 -12.055 -0.345 -1.050 1.00 0.00 H new ATOM 0 HD2 TYR 2 3 -13.703 -4.145 -2.049 1.00 0.00 H new ATOM 0 HE1 TYR 2 3 -10.902 -1.378 0.955 1.00 0.00 H new ATOM 0 HE2 TYR 2 3 -12.545 -5.167 -0.041 1.00 0.00 H new ATOM 0 HH TYR 2 3 -10.132 -4.079 1.380 1.00 0.00 H new ATOM 931 N VAL 2 4 -15.126 1.758 -3.423 1.00 0.00 N ATOM 932 CA VAL 2 4 -15.250 2.778 -4.450 1.00 0.00 C ATOM 933 C VAL 2 4 -14.465 4.021 -4.025 1.00 0.00 C ATOM 934 O VAL 2 4 -13.589 4.485 -4.752 1.00 0.00 O ATOM 935 CB VAL 2 4 -16.727 3.068 -4.724 1.00 0.00 C ATOM 936 CG1 VAL 2 4 -16.885 4.096 -5.848 1.00 0.00 C ATOM 937 CG2 VAL 2 4 -17.488 1.781 -5.047 1.00 0.00 C ATOM 0 H VAL 2 4 -15.413 2.054 -2.490 1.00 0.00 H new ATOM 0 HA VAL 2 4 -14.822 2.428 -5.389 1.00 0.00 H new ATOM 0 HB VAL 2 4 -17.158 3.493 -3.818 1.00 0.00 H new ATOM 0 HG11 VAL 2 4 -17.944 4.284 -6.023 1.00 0.00 H new ATOM 0 HG12 VAL 2 4 -16.394 5.026 -5.562 1.00 0.00 H new ATOM 0 HG13 VAL 2 4 -16.430 3.711 -6.760 1.00 0.00 H new ATOM 0 HG21 VAL 2 4 -18.535 2.016 -5.238 1.00 0.00 H new ATOM 0 HG22 VAL 2 4 -17.054 1.314 -5.931 1.00 0.00 H new ATOM 0 HG23 VAL 2 4 -17.418 1.095 -4.203 1.00 0.00 H new ATOM 947 N GLY 2 5 -14.809 4.525 -2.849 1.00 0.00 N ATOM 948 CA GLY 2 5 -14.148 5.705 -2.318 1.00 0.00 C ATOM 949 C GLY 2 5 -12.724 5.378 -1.862 1.00 0.00 C ATOM 950 O GLY 2 5 -12.054 6.215 -1.261 1.00 0.00 O ATOM 0 H GLY 2 5 -15.537 4.138 -2.249 1.00 0.00 H new ATOM 0 HA2 GLY 2 5 -14.120 6.484 -3.080 1.00 0.00 H new ATOM 0 HA3 GLY 2 5 -14.721 6.100 -1.479 1.00 0.00 H new ATOM 954 N LEU 2 6 -12.306 4.158 -2.167 1.00 0.00 N ATOM 955 CA LEU 2 6 -10.974 3.710 -1.795 1.00 0.00 C ATOM 956 C LEU 2 6 -10.428 2.789 -2.888 1.00 0.00 C ATOM 957 O LEU 2 6 -9.449 2.076 -2.672 1.00 0.00 O ATOM 958 CB LEU 2 6 -10.993 3.070 -0.405 1.00 0.00 C ATOM 959 CG LEU 2 6 -12.373 2.878 0.228 1.00 0.00 C ATOM 960 CD1 LEU 2 6 -12.957 4.217 0.684 1.00 0.00 C ATOM 961 CD2 LEU 2 6 -13.314 2.137 -0.724 1.00 0.00 C ATOM 0 H LEU 2 6 -12.865 3.467 -2.667 1.00 0.00 H new ATOM 0 HA LEU 2 6 -10.293 4.558 -1.721 1.00 0.00 H new ATOM 0 HB2 LEU 2 6 -10.506 2.097 -0.468 1.00 0.00 H new ATOM 0 HB3 LEU 2 6 -10.391 3.685 0.264 1.00 0.00 H new ATOM 0 HG LEU 2 6 -12.259 2.257 1.116 1.00 0.00 H new ATOM 0 HD11 LEU 2 6 -13.938 4.053 1.130 1.00 0.00 H new ATOM 0 HD12 LEU 2 6 -12.294 4.671 1.421 1.00 0.00 H new ATOM 0 HD13 LEU 2 6 -13.055 4.882 -0.174 1.00 0.00 H new ATOM 0 HD21 LEU 2 6 -14.288 2.013 -0.250 1.00 0.00 H new ATOM 0 HD22 LEU 2 6 -13.428 2.712 -1.643 1.00 0.00 H new ATOM 0 HD23 LEU 2 6 -12.897 1.157 -0.958 1.00 0.00 H new ATOM 973 N SER 2 7 -11.083 2.835 -4.039 1.00 0.00 N ATOM 974 CA SER 2 7 -10.675 2.015 -5.166 1.00 0.00 C ATOM 975 C SER 2 7 -10.257 2.906 -6.337 1.00 0.00 C ATOM 976 O SER 2 7 -9.879 4.060 -6.139 1.00 0.00 O ATOM 977 CB SER 2 7 -11.799 1.069 -5.595 1.00 0.00 C ATOM 978 OG SER 2 7 -12.870 1.765 -6.226 1.00 0.00 O ATOM 0 H SER 2 7 -11.894 3.428 -4.215 1.00 0.00 H new ATOM 0 HA SER 2 7 -9.824 1.408 -4.857 1.00 0.00 H new ATOM 0 HB2 SER 2 7 -11.401 0.319 -6.279 1.00 0.00 H new ATOM 0 HB3 SER 2 7 -12.177 0.536 -4.723 1.00 0.00 H new ATOM 0 HG SER 2 7 -13.682 1.217 -6.192 1.00 0.00 H new ATOM 984 N ALA 2 8 -10.338 2.337 -7.531 1.00 0.00 N ATOM 985 CA ALA 2 8 -9.971 3.065 -8.733 1.00 0.00 C ATOM 986 C ALA 2 8 -10.699 4.411 -8.752 1.00 0.00 C ATOM 987 O ALA 2 8 -11.851 4.503 -8.330 1.00 0.00 O ATOM 988 CB ALA 2 8 -10.290 2.213 -9.963 1.00 0.00 C ATOM 0 H ALA 2 8 -10.653 1.380 -7.691 1.00 0.00 H new ATOM 0 HA ALA 2 8 -8.900 3.269 -8.746 1.00 0.00 H new ATOM 0 HB1 ALA 2 8 -10.015 2.759 -10.865 1.00 0.00 H new ATOM 0 HB2 ALA 2 8 -9.726 1.281 -9.916 1.00 0.00 H new ATOM 0 HB3 ALA 2 8 -11.357 1.991 -9.985 1.00 0.00 H new ATOM 994 N ASN 2 9 -9.998 5.421 -9.245 1.00 0.00 N ATOM 995 CA ASN 2 9 -10.563 6.757 -9.324 1.00 0.00 C ATOM 996 C ASN 2 9 -10.155 7.553 -8.082 1.00 0.00 C ATOM 997 O ASN 2 9 -10.034 8.775 -8.137 1.00 0.00 O ATOM 998 CB ASN 2 9 -12.092 6.706 -9.370 1.00 0.00 C ATOM 999 CG ASN 2 9 -12.663 7.964 -10.028 1.00 0.00 C ATOM 1000 OD1 ASN 2 9 -13.291 7.919 -11.073 1.00 0.00 O ATOM 1001 ND2 ASN 2 9 -12.409 9.086 -9.360 1.00 0.00 N ATOM 0 H ASN 2 9 -9.043 5.341 -9.594 1.00 0.00 H new ATOM 0 HA ASN 2 9 -10.189 7.228 -10.233 1.00 0.00 H new ATOM 0 HB2 ASN 2 9 -12.414 5.824 -9.924 1.00 0.00 H new ATOM 0 HB3 ASN 2 9 -12.487 6.609 -8.359 1.00 0.00 H new ATOM 0 HD21 ASN 2 9 -12.746 9.980 -9.717 1.00 0.00 H new ATOM 0 HD22 ASN 2 9 -11.877 9.052 -8.490 1.00 0.00 H new ATOM 1008 N GLN 2 10 -9.952 6.826 -6.993 1.00 0.00 N ATOM 1009 CA GLN 2 10 -9.560 7.450 -5.740 1.00 0.00 C ATOM 1010 C GLN 2 10 -8.225 8.181 -5.907 1.00 0.00 C ATOM 1011 O GLN 2 10 -7.989 9.202 -5.263 1.00 0.00 O ATOM 1012 CB GLN 2 10 -9.482 6.417 -4.615 1.00 0.00 C ATOM 1013 CG GLN 2 10 -9.950 7.016 -3.287 1.00 0.00 C ATOM 1014 CD GLN 2 10 -8.758 7.381 -2.399 1.00 0.00 C ATOM 1015 OE1 GLN 2 10 -8.105 8.395 -2.579 1.00 0.00 O ATOM 1016 NE2 GLN 2 10 -8.513 6.500 -1.433 1.00 0.00 N ATOM 0 H GLN 2 10 -10.051 5.812 -6.952 1.00 0.00 H new ATOM 0 HA GLN 2 10 -10.321 8.181 -5.466 1.00 0.00 H new ATOM 0 HB2 GLN 2 10 -10.098 5.554 -4.866 1.00 0.00 H new ATOM 0 HB3 GLN 2 10 -8.457 6.059 -4.516 1.00 0.00 H new ATOM 0 HG2 GLN 2 10 -10.552 7.905 -3.477 1.00 0.00 H new ATOM 0 HG3 GLN 2 10 -10.590 6.303 -2.768 1.00 0.00 H new ATOM 0 HE21 GLN 2 10 -9.099 5.671 -1.338 1.00 0.00 H new ATOM 0 HE22 GLN 2 10 -7.739 6.654 -0.787 1.00 0.00 H new ATOM 1025 N CYS 2 11 -7.389 7.630 -6.775 1.00 0.00 N ATOM 1026 CA CYS 2 11 -6.086 8.217 -7.033 1.00 0.00 C ATOM 1027 C CYS 2 11 -6.296 9.579 -7.698 1.00 0.00 C ATOM 1028 O CYS 2 11 -5.354 10.358 -7.835 1.00 0.00 O ATOM 1029 CB CYS 2 11 -5.210 7.295 -7.884 1.00 0.00 C ATOM 1030 SG CYS 2 11 -4.182 6.119 -6.932 1.00 0.00 S ATOM 0 H CYS 2 11 -7.589 6.784 -7.308 1.00 0.00 H new ATOM 0 HA CYS 2 11 -5.552 8.352 -6.093 1.00 0.00 H new ATOM 0 HB2 CYS 2 11 -5.852 6.730 -8.560 1.00 0.00 H new ATOM 0 HB3 CYS 2 11 -4.556 7.909 -8.503 1.00 0.00 H new ATOM 0 HG CYS 2 11 -2.995 6.055 -7.459 1.00 0.00 H new ATOM 1035 N ALA 2 12 -7.537 9.825 -8.092 1.00 0.00 N ATOM 1036 CA ALA 2 12 -7.882 11.079 -8.739 1.00 0.00 C ATOM 1037 C ALA 2 12 -8.824 11.873 -7.831 1.00 0.00 C ATOM 1038 O ALA 2 12 -9.599 12.700 -8.308 1.00 0.00 O ATOM 1039 CB ALA 2 12 -8.497 10.793 -10.110 1.00 0.00 C ATOM 0 H ALA 2 12 -8.316 9.177 -7.975 1.00 0.00 H new ATOM 0 HA ALA 2 12 -6.991 11.686 -8.902 1.00 0.00 H new ATOM 0 HB1 ALA 2 12 -8.756 11.734 -10.596 1.00 0.00 H new ATOM 0 HB2 ALA 2 12 -7.778 10.252 -10.726 1.00 0.00 H new ATOM 0 HB3 ALA 2 12 -9.396 10.189 -9.987 1.00 0.00 H new ATOM 1045 N VAL 2 13 -8.723 11.594 -6.540 1.00 0.00 N ATOM 1046 CA VAL 2 13 -9.557 12.273 -5.562 1.00 0.00 C ATOM 1047 C VAL 2 13 -9.621 13.764 -5.899 1.00 0.00 C ATOM 1048 O VAL 2 13 -8.858 14.248 -6.734 1.00 0.00 O ATOM 1049 CB VAL 2 13 -9.033 12.000 -4.150 1.00 0.00 C ATOM 1050 CG1 VAL 2 13 -8.380 13.251 -3.557 1.00 0.00 C ATOM 1051 CG2 VAL 2 13 -10.149 11.481 -3.242 1.00 0.00 C ATOM 0 H VAL 2 13 -8.078 10.908 -6.148 1.00 0.00 H new ATOM 0 HA VAL 2 13 -10.577 11.889 -5.596 1.00 0.00 H new ATOM 0 HB VAL 2 13 -8.270 11.224 -4.219 1.00 0.00 H new ATOM 0 HG11 VAL 2 13 -8.016 13.031 -2.554 1.00 0.00 H new ATOM 0 HG12 VAL 2 13 -7.545 13.559 -4.186 1.00 0.00 H new ATOM 0 HG13 VAL 2 13 -9.113 14.056 -3.508 1.00 0.00 H new ATOM 0 HG21 VAL 2 13 -9.750 11.295 -2.245 1.00 0.00 H new ATOM 0 HG22 VAL 2 13 -10.944 12.224 -3.182 1.00 0.00 H new ATOM 0 HG23 VAL 2 13 -10.549 10.553 -3.651 1.00 0.00 H new ATOM 1061 N PRO 2 14 -10.560 14.468 -5.214 1.00 0.00 N ATOM 1062 CA PRO 2 14 -10.734 15.894 -5.433 1.00 0.00 C ATOM 1063 C PRO 2 14 -9.607 16.691 -4.772 1.00 0.00 C ATOM 1064 O PRO 2 14 -9.789 17.856 -4.421 1.00 0.00 O ATOM 1065 CB PRO 2 14 -12.104 16.217 -4.860 1.00 0.00 C ATOM 1066 CG PRO 2 14 -12.449 15.064 -3.930 1.00 0.00 C ATOM 1067 CD PRO 2 14 -11.481 13.928 -4.218 1.00 0.00 C ATOM 0 HA PRO 2 14 -10.684 16.166 -6.487 1.00 0.00 H new ATOM 0 HB2 PRO 2 14 -12.088 17.163 -4.320 1.00 0.00 H new ATOM 0 HB3 PRO 2 14 -12.846 16.315 -5.653 1.00 0.00 H new ATOM 0 HG2 PRO 2 14 -12.371 15.377 -2.889 1.00 0.00 H new ATOM 0 HG3 PRO 2 14 -13.477 14.739 -4.090 1.00 0.00 H new ATOM 0 HD2 PRO 2 14 -10.952 13.620 -3.316 1.00 0.00 H new ATOM 0 HD3 PRO 2 14 -12.003 13.049 -4.597 1.00 0.00 H new ATOM 1075 N ALA 2 15 -8.468 16.031 -4.623 1.00 0.00 N ATOM 1076 CA ALA 2 15 -7.312 16.663 -4.011 1.00 0.00 C ATOM 1077 C ALA 2 15 -7.748 17.393 -2.739 1.00 0.00 C ATOM 1078 O ALA 2 15 -7.709 18.622 -2.681 1.00 0.00 O ATOM 1079 CB ALA 2 15 -6.646 17.599 -5.021 1.00 0.00 C ATOM 0 H ALA 2 15 -8.321 15.065 -4.916 1.00 0.00 H new ATOM 0 HA ALA 2 15 -6.573 15.914 -3.725 1.00 0.00 H new ATOM 0 HB1 ALA 2 15 -5.779 18.073 -4.561 1.00 0.00 H new ATOM 0 HB2 ALA 2 15 -6.327 17.027 -5.892 1.00 0.00 H new ATOM 0 HB3 ALA 2 15 -7.357 18.365 -5.330 1.00 0.00 H new ATOM 1085 N LYS 2 16 -8.154 16.607 -1.753 1.00 0.00 N ATOM 1086 CA LYS 2 16 -8.598 17.164 -0.487 1.00 0.00 C ATOM 1087 C LYS 2 16 -9.335 16.085 0.310 1.00 0.00 C ATOM 1088 O LYS 2 16 -10.368 16.355 0.920 1.00 0.00 O ATOM 1089 CB LYS 2 16 -9.425 18.430 -0.718 1.00 0.00 C ATOM 1090 CG LYS 2 16 -10.367 18.259 -1.911 1.00 0.00 C ATOM 1091 CD LYS 2 16 -11.828 18.422 -1.485 1.00 0.00 C ATOM 1092 CE LYS 2 16 -12.331 17.174 -0.758 1.00 0.00 C ATOM 1093 NZ LYS 2 16 -13.710 16.846 -1.184 1.00 0.00 N ATOM 0 H LYS 2 16 -8.185 15.589 -1.805 1.00 0.00 H new ATOM 0 HA LYS 2 16 -7.742 17.475 0.112 1.00 0.00 H new ATOM 0 HB2 LYS 2 16 -10.004 18.659 0.177 1.00 0.00 H new ATOM 0 HB3 LYS 2 16 -8.760 19.276 -0.893 1.00 0.00 H new ATOM 0 HG2 LYS 2 16 -10.124 18.994 -2.679 1.00 0.00 H new ATOM 0 HG3 LYS 2 16 -10.222 17.274 -2.355 1.00 0.00 H new ATOM 0 HD2 LYS 2 16 -11.926 19.290 -0.834 1.00 0.00 H new ATOM 0 HD3 LYS 2 16 -12.447 18.610 -2.362 1.00 0.00 H new ATOM 0 HE2 LYS 2 16 -11.670 16.333 -0.967 1.00 0.00 H new ATOM 0 HE3 LYS 2 16 -12.306 17.339 0.319 1.00 0.00 H new ATOM 0 HZ1 LYS 2 16 -13.950 15.883 -0.873 1.00 0.00 H new ATOM 0 HZ2 LYS 2 16 -14.375 17.523 -0.759 1.00 0.00 H new ATOM 0 HZ3 LYS 2 16 -13.776 16.901 -2.220 1.00 0.00 H new ATOM 1107 N ASP 2 17 -8.775 14.884 0.277 1.00 0.00 N ATOM 1108 CA ASP 2 17 -9.365 13.764 0.989 1.00 0.00 C ATOM 1109 C ASP 2 17 -8.332 12.641 1.111 1.00 0.00 C ATOM 1110 O ASP 2 17 -8.682 11.504 1.423 1.00 0.00 O ATOM 1111 CB ASP 2 17 -10.577 13.210 0.235 1.00 0.00 C ATOM 1112 CG ASP 2 17 -11.531 12.363 1.079 1.00 0.00 C ATOM 1113 OD1 ASP 2 17 -12.066 12.919 2.063 1.00 0.00 O ATOM 1114 OD2 ASP 2 17 -11.704 11.178 0.722 1.00 0.00 O ATOM 0 H ASP 2 17 -7.919 14.663 -0.232 1.00 0.00 H new ATOM 0 HA ASP 2 17 -9.680 14.117 1.971 1.00 0.00 H new ATOM 0 HB2 ASP 2 17 -11.135 14.045 -0.189 1.00 0.00 H new ATOM 0 HB3 ASP 2 17 -10.222 12.607 -0.600 1.00 0.00 H new ATOM 1119 N ARG 2 18 -7.082 13.001 0.861 1.00 0.00 N ATOM 1120 CA ARG 2 18 -5.997 12.039 0.940 1.00 0.00 C ATOM 1121 C ARG 2 18 -5.449 11.972 2.366 1.00 0.00 C ATOM 1122 O ARG 2 18 -5.873 12.735 3.234 1.00 0.00 O ATOM 1123 CB ARG 2 18 -4.862 12.409 -0.017 1.00 0.00 C ATOM 1124 CG ARG 2 18 -5.391 12.629 -1.436 1.00 0.00 C ATOM 1125 CD ARG 2 18 -4.610 13.735 -2.148 1.00 0.00 C ATOM 1126 NE ARG 2 18 -4.951 13.749 -3.588 1.00 0.00 N ATOM 1127 CZ ARG 2 18 -4.237 14.391 -4.523 1.00 0.00 C ATOM 1128 NH1 ARG 2 18 -3.138 15.075 -4.175 1.00 0.00 N ATOM 1129 NH2 ARG 2 18 -4.621 14.350 -5.805 1.00 0.00 N ATOM 0 H ARG 2 18 -6.797 13.946 0.604 1.00 0.00 H new ATOM 0 HA ARG 2 18 -6.396 11.066 0.654 1.00 0.00 H new ATOM 0 HB2 ARG 2 18 -4.366 13.314 0.334 1.00 0.00 H new ATOM 0 HB3 ARG 2 18 -4.114 11.617 -0.023 1.00 0.00 H new ATOM 0 HG2 ARG 2 18 -5.315 11.702 -2.004 1.00 0.00 H new ATOM 0 HG3 ARG 2 18 -6.448 12.893 -1.397 1.00 0.00 H new ATOM 0 HD2 ARG 2 18 -4.843 14.702 -1.701 1.00 0.00 H new ATOM 0 HD3 ARG 2 18 -3.539 13.575 -2.021 1.00 0.00 H new ATOM 0 HE ARG 2 18 -5.781 13.238 -3.888 1.00 0.00 H new ATOM 0 HH11 ARG 2 18 -2.845 15.107 -3.198 1.00 0.00 H new ATOM 0 HH12 ARG 2 18 -2.595 15.564 -4.887 1.00 0.00 H new ATOM 0 HH21 ARG 2 18 -5.457 13.830 -6.070 1.00 0.00 H new ATOM 0 HH22 ARG 2 18 -4.077 14.839 -6.516 1.00 0.00 H new ATOM 1143 N VAL 2 19 -4.515 11.054 2.566 1.00 0.00 N ATOM 1144 CA VAL 2 19 -3.905 10.878 3.873 1.00 0.00 C ATOM 1145 C VAL 2 19 -2.487 11.450 3.850 1.00 0.00 C ATOM 1146 O VAL 2 19 -1.664 11.115 4.701 1.00 0.00 O ATOM 1147 CB VAL 2 19 -3.949 9.402 4.276 1.00 0.00 C ATOM 1148 CG1 VAL 2 19 -3.396 9.204 5.689 1.00 0.00 C ATOM 1149 CG2 VAL 2 19 -5.367 8.842 4.158 1.00 0.00 C ATOM 0 H VAL 2 19 -4.166 10.424 1.844 1.00 0.00 H new ATOM 0 HA VAL 2 19 -4.463 11.425 4.633 1.00 0.00 H new ATOM 0 HB VAL 2 19 -3.313 8.847 3.586 1.00 0.00 H new ATOM 0 HG11 VAL 2 19 -3.438 8.147 5.951 1.00 0.00 H new ATOM 0 HG12 VAL 2 19 -2.362 9.546 5.726 1.00 0.00 H new ATOM 0 HG13 VAL 2 19 -3.994 9.778 6.397 1.00 0.00 H new ATOM 0 HG21 VAL 2 19 -5.369 7.792 4.450 1.00 0.00 H new ATOM 0 HG22 VAL 2 19 -6.035 9.402 4.812 1.00 0.00 H new ATOM 0 HG23 VAL 2 19 -5.709 8.932 3.127 1.00 0.00 H new ATOM 1159 N ASP 2 20 -2.243 12.305 2.868 1.00 0.00 N ATOM 1160 CA ASP 2 20 -0.938 12.927 2.722 1.00 0.00 C ATOM 1161 C ASP 2 20 0.140 11.962 3.218 1.00 0.00 C ATOM 1162 O ASP 2 20 0.549 12.025 4.377 1.00 0.00 O ATOM 1163 CB ASP 2 20 -0.845 14.208 3.553 1.00 0.00 C ATOM 1164 CG ASP 2 20 0.569 14.589 3.996 1.00 0.00 C ATOM 1165 OD1 ASP 2 20 1.360 14.970 3.105 1.00 0.00 O ATOM 1166 OD2 ASP 2 20 0.828 14.492 5.215 1.00 0.00 O ATOM 0 H ASP 2 20 -2.928 12.582 2.165 1.00 0.00 H new ATOM 0 HA ASP 2 20 -0.794 13.168 1.669 1.00 0.00 H new ATOM 0 HB2 ASP 2 20 -1.262 15.031 2.973 1.00 0.00 H new ATOM 0 HB3 ASP 2 20 -1.469 14.095 4.439 1.00 0.00 H new ATOM 1171 N CYS 2 21 0.570 11.091 2.316 1.00 0.00 N ATOM 1172 CA CYS 2 21 1.593 10.115 2.648 1.00 0.00 C ATOM 1173 C CYS 2 21 2.762 10.848 3.307 1.00 0.00 C ATOM 1174 O CYS 2 21 3.395 10.321 4.221 1.00 0.00 O ATOM 1175 CB CYS 2 21 2.038 9.322 1.418 1.00 0.00 C ATOM 1176 SG CYS 2 21 2.223 7.522 1.689 1.00 0.00 S ATOM 0 H CYS 2 21 0.228 11.041 1.356 1.00 0.00 H new ATOM 0 HA CYS 2 21 1.186 9.382 3.345 1.00 0.00 H new ATOM 0 HB2 CYS 2 21 1.314 9.482 0.619 1.00 0.00 H new ATOM 0 HB3 CYS 2 21 2.990 9.722 1.070 1.00 0.00 H new ATOM 1181 N GLY 2 22 3.014 12.054 2.818 1.00 0.00 N ATOM 1182 CA GLY 2 22 4.097 12.866 3.349 1.00 0.00 C ATOM 1183 C GLY 2 22 5.403 12.071 3.400 1.00 0.00 C ATOM 1184 O GLY 2 22 5.996 11.912 4.467 1.00 0.00 O ATOM 0 H GLY 2 22 2.487 12.488 2.060 1.00 0.00 H new ATOM 0 HA2 GLY 2 22 4.230 13.752 2.728 1.00 0.00 H new ATOM 0 HA3 GLY 2 22 3.839 13.214 4.349 1.00 0.00 H new ATOM 1188 N TYR 2 23 5.815 11.593 2.235 1.00 0.00 N ATOM 1189 CA TYR 2 23 7.040 10.819 2.133 1.00 0.00 C ATOM 1190 C TYR 2 23 8.238 11.725 1.839 1.00 0.00 C ATOM 1191 O TYR 2 23 8.123 12.686 1.080 1.00 0.00 O ATOM 1192 CB TYR 2 23 6.838 9.863 0.957 1.00 0.00 C ATOM 1193 CG TYR 2 23 6.673 8.398 1.367 1.00 0.00 C ATOM 1194 CD1 TYR 2 23 7.784 7.633 1.656 1.00 0.00 C ATOM 1195 CD2 TYR 2 23 5.412 7.843 1.449 1.00 0.00 C ATOM 1196 CE1 TYR 2 23 7.627 6.254 2.042 1.00 0.00 C ATOM 1197 CE2 TYR 2 23 5.255 6.465 1.836 1.00 0.00 C ATOM 1198 CZ TYR 2 23 6.371 5.738 2.113 1.00 0.00 C ATOM 1199 OH TYR 2 23 6.223 4.437 2.478 1.00 0.00 O ATOM 0 H TYR 2 23 5.321 11.727 1.353 1.00 0.00 H new ATOM 0 HA TYR 2 23 7.242 10.295 3.067 1.00 0.00 H new ATOM 0 HB2 TYR 2 23 5.957 10.174 0.396 1.00 0.00 H new ATOM 0 HB3 TYR 2 23 7.691 9.947 0.283 1.00 0.00 H new ATOM 0 HD1 TYR 2 23 8.771 8.068 1.593 1.00 0.00 H new ATOM 0 HD2 TYR 2 23 4.543 8.443 1.223 1.00 0.00 H new ATOM 0 HE1 TYR 2 23 8.488 5.643 2.270 1.00 0.00 H new ATOM 0 HE2 TYR 2 23 4.274 6.019 1.905 1.00 0.00 H new ATOM 0 HH TYR 2 23 5.271 4.206 2.487 1.00 0.00 H new ATOM 1209 N PRO 2 24 9.390 11.378 2.473 1.00 0.00 N ATOM 1210 CA PRO 2 24 10.608 12.149 2.287 1.00 0.00 C ATOM 1211 C PRO 2 24 11.233 11.864 0.920 1.00 0.00 C ATOM 1212 O PRO 2 24 12.251 12.457 0.563 1.00 0.00 O ATOM 1213 CB PRO 2 24 11.507 11.750 3.446 1.00 0.00 C ATOM 1214 CG PRO 2 24 10.950 10.437 3.971 1.00 0.00 C ATOM 1215 CD PRO 2 24 9.563 10.248 3.380 1.00 0.00 C ATOM 0 HA PRO 2 24 10.430 13.224 2.290 1.00 0.00 H new ATOM 0 HB2 PRO 2 24 12.540 11.633 3.117 1.00 0.00 H new ATOM 0 HB3 PRO 2 24 11.505 12.514 4.223 1.00 0.00 H new ATOM 0 HG2 PRO 2 24 11.600 9.608 3.691 1.00 0.00 H new ATOM 0 HG3 PRO 2 24 10.902 10.451 5.060 1.00 0.00 H new ATOM 0 HD2 PRO 2 24 9.484 9.299 2.850 1.00 0.00 H new ATOM 0 HD3 PRO 2 24 8.799 10.243 4.157 1.00 0.00 H new ATOM 1223 N HIS 2 25 10.598 10.959 0.191 1.00 0.00 N ATOM 1224 CA HIS 2 25 11.080 10.588 -1.129 1.00 0.00 C ATOM 1225 C HIS 2 25 9.962 10.782 -2.156 1.00 0.00 C ATOM 1226 O HIS 2 25 10.085 10.350 -3.301 1.00 0.00 O ATOM 1227 CB HIS 2 25 11.639 9.164 -1.124 1.00 0.00 C ATOM 1228 CG HIS 2 25 13.097 9.076 -1.506 1.00 0.00 C ATOM 1229 ND1 HIS 2 25 13.639 9.786 -2.564 1.00 0.00 N ATOM 1230 CD2 HIS 2 25 14.119 8.355 -0.962 1.00 0.00 C ATOM 1231 CE1 HIS 2 25 14.930 9.497 -2.644 1.00 0.00 C ATOM 1232 NE2 HIS 2 25 15.225 8.610 -1.651 1.00 0.00 N ATOM 0 H HIS 2 25 9.753 10.471 0.489 1.00 0.00 H new ATOM 0 HA HIS 2 25 11.906 11.239 -1.414 1.00 0.00 H new ATOM 0 HB2 HIS 2 25 11.508 8.737 -0.130 1.00 0.00 H new ATOM 0 HB3 HIS 2 25 11.056 8.553 -1.813 1.00 0.00 H new ATOM 0 HD2 HIS 2 25 14.042 7.690 -0.115 1.00 0.00 H new ATOM 0 HE1 HIS 2 25 15.626 9.894 -3.368 1.00 0.00 H new ATOM 0 HE2 HIS 2 25 16.144 8.208 -1.468 1.00 0.00 H new ATOM 1241 N VAL 2 26 8.897 11.432 -1.709 1.00 0.00 N ATOM 1242 CA VAL 2 26 7.759 11.689 -2.574 1.00 0.00 C ATOM 1243 C VAL 2 26 8.259 12.013 -3.983 1.00 0.00 C ATOM 1244 O VAL 2 26 9.033 12.951 -4.171 1.00 0.00 O ATOM 1245 CB VAL 2 26 6.888 12.796 -1.978 1.00 0.00 C ATOM 1246 CG1 VAL 2 26 7.750 13.943 -1.442 1.00 0.00 C ATOM 1247 CG2 VAL 2 26 5.873 13.307 -3.003 1.00 0.00 C ATOM 0 H VAL 2 26 8.799 11.788 -0.758 1.00 0.00 H new ATOM 0 HA VAL 2 26 7.128 10.804 -2.649 1.00 0.00 H new ATOM 0 HB VAL 2 26 6.334 12.372 -1.140 1.00 0.00 H new ATOM 0 HG11 VAL 2 26 7.107 14.717 -1.024 1.00 0.00 H new ATOM 0 HG12 VAL 2 26 8.416 13.566 -0.666 1.00 0.00 H new ATOM 0 HG13 VAL 2 26 8.342 14.364 -2.255 1.00 0.00 H new ATOM 0 HG21 VAL 2 26 5.267 14.093 -2.554 1.00 0.00 H new ATOM 0 HG22 VAL 2 26 6.400 13.706 -3.870 1.00 0.00 H new ATOM 0 HG23 VAL 2 26 5.228 12.486 -3.317 1.00 0.00 H new ATOM 1257 N THR 2 27 7.795 11.219 -4.937 1.00 0.00 N ATOM 1258 CA THR 2 27 8.186 11.411 -6.324 1.00 0.00 C ATOM 1259 C THR 2 27 7.296 10.576 -7.248 1.00 0.00 C ATOM 1260 O THR 2 27 6.678 9.607 -6.811 1.00 0.00 O ATOM 1261 CB THR 2 27 9.673 11.076 -6.447 1.00 0.00 C ATOM 1262 OG1 THR 2 27 10.247 12.250 -7.016 1.00 0.00 O ATOM 1263 CG2 THR 2 27 9.944 9.987 -7.488 1.00 0.00 C ATOM 0 H THR 2 27 7.153 10.443 -4.778 1.00 0.00 H new ATOM 0 HA THR 2 27 8.045 12.446 -6.636 1.00 0.00 H new ATOM 0 HB THR 2 27 10.054 10.754 -5.478 1.00 0.00 H new ATOM 0 HG1 THR 2 27 11.212 12.121 -7.129 1.00 0.00 H new ATOM 0 HG21 THR 2 27 11.015 9.787 -7.535 1.00 0.00 H new ATOM 0 HG22 THR 2 27 9.417 9.075 -7.207 1.00 0.00 H new ATOM 0 HG23 THR 2 27 9.594 10.322 -8.464 1.00 0.00 H new ATOM 1271 N PRO 2 28 7.260 10.993 -8.542 1.00 0.00 N ATOM 1272 CA PRO 2 28 6.458 10.294 -9.532 1.00 0.00 C ATOM 1273 C PRO 2 28 7.116 8.974 -9.939 1.00 0.00 C ATOM 1274 O PRO 2 28 7.234 8.676 -11.126 1.00 0.00 O ATOM 1275 CB PRO 2 28 6.320 11.271 -10.688 1.00 0.00 C ATOM 1276 CG PRO 2 28 7.430 12.293 -10.504 1.00 0.00 C ATOM 1277 CD PRO 2 28 7.980 12.136 -9.096 1.00 0.00 C ATOM 0 HA PRO 2 28 5.478 10.007 -9.152 1.00 0.00 H new ATOM 0 HB2 PRO 2 28 6.415 10.759 -11.646 1.00 0.00 H new ATOM 0 HB3 PRO 2 28 5.341 11.751 -10.679 1.00 0.00 H new ATOM 0 HG2 PRO 2 28 8.218 12.138 -11.241 1.00 0.00 H new ATOM 0 HG3 PRO 2 28 7.048 13.303 -10.654 1.00 0.00 H new ATOM 0 HD2 PRO 2 28 9.055 11.958 -9.108 1.00 0.00 H new ATOM 0 HD3 PRO 2 28 7.812 13.035 -8.503 1.00 0.00 H new ATOM 1285 N LYS 2 29 7.528 8.219 -8.931 1.00 0.00 N ATOM 1286 CA LYS 2 29 8.170 6.938 -9.169 1.00 0.00 C ATOM 1287 C LYS 2 29 8.544 6.302 -7.829 1.00 0.00 C ATOM 1288 O LYS 2 29 8.841 5.110 -7.764 1.00 0.00 O ATOM 1289 CB LYS 2 29 9.356 7.103 -10.123 1.00 0.00 C ATOM 1290 CG LYS 2 29 9.466 5.908 -11.071 1.00 0.00 C ATOM 1291 CD LYS 2 29 9.586 6.370 -12.526 1.00 0.00 C ATOM 1292 CE LYS 2 29 9.353 5.208 -13.492 1.00 0.00 C ATOM 1293 NZ LYS 2 29 8.319 5.563 -14.490 1.00 0.00 N ATOM 0 H LYS 2 29 7.429 8.470 -7.947 1.00 0.00 H new ATOM 0 HA LYS 2 29 7.482 6.254 -9.666 1.00 0.00 H new ATOM 0 HB2 LYS 2 29 9.238 8.020 -10.700 1.00 0.00 H new ATOM 0 HB3 LYS 2 29 10.278 7.203 -9.550 1.00 0.00 H new ATOM 0 HG2 LYS 2 29 10.335 5.306 -10.804 1.00 0.00 H new ATOM 0 HG3 LYS 2 29 8.590 5.269 -10.960 1.00 0.00 H new ATOM 0 HD2 LYS 2 29 8.861 7.160 -12.721 1.00 0.00 H new ATOM 0 HD3 LYS 2 29 10.575 6.796 -12.696 1.00 0.00 H new ATOM 0 HE2 LYS 2 29 10.285 4.956 -13.999 1.00 0.00 H new ATOM 0 HE3 LYS 2 29 9.043 4.323 -12.937 1.00 0.00 H new ATOM 0 HZ1 LYS 2 29 8.173 4.763 -15.138 1.00 0.00 H new ATOM 0 HZ2 LYS 2 29 7.427 5.781 -14.003 1.00 0.00 H new ATOM 0 HZ3 LYS 2 29 8.630 6.395 -15.031 1.00 0.00 H new ATOM 1307 N GLU 2 30 8.515 7.126 -6.792 1.00 0.00 N ATOM 1308 CA GLU 2 30 8.847 6.659 -5.456 1.00 0.00 C ATOM 1309 C GLU 2 30 7.571 6.370 -4.663 1.00 0.00 C ATOM 1310 O GLU 2 30 7.456 5.325 -4.024 1.00 0.00 O ATOM 1311 CB GLU 2 30 9.730 7.673 -4.724 1.00 0.00 C ATOM 1312 CG GLU 2 30 11.209 7.305 -4.852 1.00 0.00 C ATOM 1313 CD GLU 2 30 11.787 7.808 -6.178 1.00 0.00 C ATOM 1314 OE1 GLU 2 30 11.411 7.225 -7.218 1.00 0.00 O ATOM 1315 OE2 GLU 2 30 12.589 8.763 -6.119 1.00 0.00 O ATOM 0 H GLU 2 30 8.267 8.114 -6.849 1.00 0.00 H new ATOM 0 HA GLU 2 30 9.413 5.732 -5.546 1.00 0.00 H new ATOM 0 HB2 GLU 2 30 9.563 8.669 -5.134 1.00 0.00 H new ATOM 0 HB3 GLU 2 30 9.451 7.711 -3.671 1.00 0.00 H new ATOM 0 HG2 GLU 2 30 11.768 7.736 -4.021 1.00 0.00 H new ATOM 0 HG3 GLU 2 30 11.325 6.223 -4.788 1.00 0.00 H new ATOM 1322 N CYS 2 31 6.644 7.314 -4.728 1.00 0.00 N ATOM 1323 CA CYS 2 31 5.382 7.174 -4.024 1.00 0.00 C ATOM 1324 C CYS 2 31 4.744 5.847 -4.440 1.00 0.00 C ATOM 1325 O CYS 2 31 4.452 5.003 -3.594 1.00 0.00 O ATOM 1326 CB CYS 2 31 4.453 8.361 -4.288 1.00 0.00 C ATOM 1327 SG CYS 2 31 5.027 9.954 -3.595 1.00 0.00 S ATOM 0 H CYS 2 31 6.742 8.180 -5.258 1.00 0.00 H new ATOM 0 HA CYS 2 31 5.561 7.168 -2.949 1.00 0.00 H new ATOM 0 HB2 CYS 2 31 4.328 8.474 -5.365 1.00 0.00 H new ATOM 0 HB3 CYS 2 31 3.470 8.134 -3.875 1.00 0.00 H new ATOM 1332 N ASN 2 32 4.549 5.703 -5.742 1.00 0.00 N ATOM 1333 CA ASN 2 32 3.952 4.493 -6.281 1.00 0.00 C ATOM 1334 C ASN 2 32 4.843 3.297 -5.943 1.00 0.00 C ATOM 1335 O ASN 2 32 4.435 2.148 -6.107 1.00 0.00 O ATOM 1336 CB ASN 2 32 3.824 4.572 -7.803 1.00 0.00 C ATOM 1337 CG ASN 2 32 2.453 5.118 -8.211 1.00 0.00 C ATOM 1338 OD1 ASN 2 32 1.746 4.548 -9.024 1.00 0.00 O ATOM 1339 ND2 ASN 2 32 2.121 6.253 -7.602 1.00 0.00 N ATOM 0 H ASN 2 32 4.794 6.405 -6.440 1.00 0.00 H new ATOM 0 HA ASN 2 32 2.961 4.381 -5.842 1.00 0.00 H new ATOM 0 HB2 ASN 2 32 4.609 5.213 -8.205 1.00 0.00 H new ATOM 0 HB3 ASN 2 32 3.968 3.582 -8.236 1.00 0.00 H new ATOM 0 HD21 ASN 2 32 1.227 6.699 -7.806 1.00 0.00 H new ATOM 0 HD22 ASN 2 32 2.761 6.678 -6.931 1.00 0.00 H new ATOM 1346 N ASN 2 33 6.044 3.606 -5.477 1.00 0.00 N ATOM 1347 CA ASN 2 33 6.997 2.571 -5.115 1.00 0.00 C ATOM 1348 C ASN 2 33 6.804 2.198 -3.644 1.00 0.00 C ATOM 1349 O ASN 2 33 6.948 1.035 -3.270 1.00 0.00 O ATOM 1350 CB ASN 2 33 8.436 3.059 -5.294 1.00 0.00 C ATOM 1351 CG ASN 2 33 9.329 1.942 -5.840 1.00 0.00 C ATOM 1352 OD1 ASN 2 33 8.867 0.931 -6.341 1.00 0.00 O ATOM 1353 ND2 ASN 2 33 10.632 2.182 -5.714 1.00 0.00 N ATOM 0 H ASN 2 33 6.379 4.560 -5.342 1.00 0.00 H new ATOM 0 HA ASN 2 33 6.824 1.712 -5.764 1.00 0.00 H new ATOM 0 HB2 ASN 2 33 8.453 3.910 -5.975 1.00 0.00 H new ATOM 0 HB3 ASN 2 33 8.827 3.408 -4.338 1.00 0.00 H new ATOM 0 HD21 ASN 2 33 11.311 1.498 -6.047 1.00 0.00 H new ATOM 0 HD22 ASN 2 33 10.951 3.050 -5.284 1.00 0.00 H new ATOM 1360 N ARG 2 34 6.479 3.207 -2.849 1.00 0.00 N ATOM 1361 CA ARG 2 34 6.265 3.000 -1.426 1.00 0.00 C ATOM 1362 C ARG 2 34 4.836 2.516 -1.170 1.00 0.00 C ATOM 1363 O ARG 2 34 4.572 1.852 -0.169 1.00 0.00 O ATOM 1364 CB ARG 2 34 6.507 4.290 -0.639 1.00 0.00 C ATOM 1365 CG ARG 2 34 7.663 5.091 -1.242 1.00 0.00 C ATOM 1366 CD ARG 2 34 8.817 5.223 -0.246 1.00 0.00 C ATOM 1367 NE ARG 2 34 10.088 4.816 -0.886 1.00 0.00 N ATOM 1368 CZ ARG 2 34 11.300 5.043 -0.362 1.00 0.00 C ATOM 1369 NH1 ARG 2 34 11.413 5.677 0.813 1.00 0.00 N ATOM 1370 NH2 ARG 2 34 12.398 4.637 -1.012 1.00 0.00 N ATOM 0 H ARG 2 34 6.359 4.170 -3.163 1.00 0.00 H new ATOM 0 HA ARG 2 34 6.975 2.244 -1.090 1.00 0.00 H new ATOM 0 HB2 ARG 2 34 5.601 4.896 -0.639 1.00 0.00 H new ATOM 0 HB3 ARG 2 34 6.730 4.050 0.401 1.00 0.00 H new ATOM 0 HG2 ARG 2 34 8.015 4.601 -2.149 1.00 0.00 H new ATOM 0 HG3 ARG 2 34 7.312 6.082 -1.531 1.00 0.00 H new ATOM 0 HD2 ARG 2 34 8.890 6.253 0.104 1.00 0.00 H new ATOM 0 HD3 ARG 2 34 8.626 4.602 0.629 1.00 0.00 H new ATOM 0 HE ARG 2 34 10.038 4.332 -1.783 1.00 0.00 H new ATOM 0 HH11 ARG 2 34 10.577 5.986 1.308 1.00 0.00 H new ATOM 0 HH12 ARG 2 34 12.335 5.850 1.212 1.00 0.00 H new ATOM 0 HH21 ARG 2 34 12.312 4.155 -1.907 1.00 0.00 H new ATOM 0 HH22 ARG 2 34 13.320 4.810 -0.613 1.00 0.00 H new ATOM 1384 N GLY 2 35 3.953 2.866 -2.093 1.00 0.00 N ATOM 1385 CA GLY 2 35 2.557 2.476 -1.979 1.00 0.00 C ATOM 1386 C GLY 2 35 1.649 3.703 -1.891 1.00 0.00 C ATOM 1387 O GLY 2 35 0.554 3.632 -1.335 1.00 0.00 O ATOM 0 H GLY 2 35 4.176 3.415 -2.923 1.00 0.00 H new ATOM 0 HA2 GLY 2 35 2.274 1.871 -2.840 1.00 0.00 H new ATOM 0 HA3 GLY 2 35 2.421 1.854 -1.094 1.00 0.00 H new ATOM 1391 N CYS 2 36 2.138 4.802 -2.447 1.00 0.00 N ATOM 1392 CA CYS 2 36 1.384 6.045 -2.438 1.00 0.00 C ATOM 1393 C CYS 2 36 1.150 6.475 -3.887 1.00 0.00 C ATOM 1394 O CYS 2 36 1.836 6.009 -4.795 1.00 0.00 O ATOM 1395 CB CYS 2 36 2.093 7.131 -1.627 1.00 0.00 C ATOM 1396 SG CYS 2 36 2.488 6.667 0.098 1.00 0.00 S ATOM 0 H CYS 2 36 3.047 4.858 -2.907 1.00 0.00 H new ATOM 0 HA CYS 2 36 0.423 5.887 -1.948 1.00 0.00 H new ATOM 0 HB2 CYS 2 36 3.018 7.400 -2.137 1.00 0.00 H new ATOM 0 HB3 CYS 2 36 1.466 8.022 -1.614 1.00 0.00 H new ATOM 1401 N CYS 2 37 0.178 7.359 -4.058 1.00 0.00 N ATOM 1402 CA CYS 2 37 -0.155 7.858 -5.382 1.00 0.00 C ATOM 1403 C CYS 2 37 0.320 9.309 -5.483 1.00 0.00 C ATOM 1404 O CYS 2 37 -0.034 10.141 -4.649 1.00 0.00 O ATOM 1405 CB CYS 2 37 -1.650 7.725 -5.677 1.00 0.00 C ATOM 1406 SG CYS 2 37 -2.049 6.999 -7.308 1.00 0.00 S ATOM 0 H CYS 2 37 -0.390 7.743 -3.302 1.00 0.00 H new ATOM 0 HA CYS 2 37 0.352 7.258 -6.137 1.00 0.00 H new ATOM 0 HB2 CYS 2 37 -2.106 7.111 -4.900 1.00 0.00 H new ATOM 0 HB3 CYS 2 37 -2.108 8.712 -5.613 1.00 0.00 H new ATOM 0 HG CYS 2 37 -3.282 6.588 -7.310 1.00 0.00 H new ATOM 1411 N PHE 2 38 1.115 9.568 -6.511 1.00 0.00 N ATOM 1412 CA PHE 2 38 1.642 10.904 -6.731 1.00 0.00 C ATOM 1413 C PHE 2 38 0.675 11.744 -7.567 1.00 0.00 C ATOM 1414 O PHE 2 38 0.347 11.380 -8.696 1.00 0.00 O ATOM 1415 CB PHE 2 38 2.956 10.746 -7.498 1.00 0.00 C ATOM 1416 CG PHE 2 38 3.828 12.003 -7.506 1.00 0.00 C ATOM 1417 CD1 PHE 2 38 4.663 12.258 -6.464 1.00 0.00 C ATOM 1418 CD2 PHE 2 38 3.766 12.867 -8.555 1.00 0.00 C ATOM 1419 CE1 PHE 2 38 5.472 13.424 -6.471 1.00 0.00 C ATOM 1420 CE2 PHE 2 38 4.575 14.034 -8.562 1.00 0.00 C ATOM 1421 CZ PHE 2 38 5.412 14.288 -7.520 1.00 0.00 C ATOM 0 H PHE 2 38 1.407 8.875 -7.201 1.00 0.00 H new ATOM 0 HA PHE 2 38 1.787 11.409 -5.776 1.00 0.00 H new ATOM 0 HB2 PHE 2 38 3.524 9.925 -7.060 1.00 0.00 H new ATOM 0 HB3 PHE 2 38 2.732 10.465 -8.527 1.00 0.00 H new ATOM 0 HD1 PHE 2 38 4.711 11.573 -5.630 1.00 0.00 H new ATOM 0 HD2 PHE 2 38 3.102 12.665 -9.382 1.00 0.00 H new ATOM 0 HE1 PHE 2 38 6.136 13.625 -5.643 1.00 0.00 H new ATOM 0 HE2 PHE 2 38 4.526 14.720 -9.395 1.00 0.00 H new ATOM 0 HZ PHE 2 38 6.028 15.175 -7.526 1.00 0.00 H new ATOM 1431 N ASP 2 39 0.245 12.852 -6.981 1.00 0.00 N ATOM 1432 CA ASP 2 39 -0.679 13.746 -7.658 1.00 0.00 C ATOM 1433 C ASP 2 39 0.097 14.624 -8.643 1.00 0.00 C ATOM 1434 O ASP 2 39 0.173 14.313 -9.832 1.00 0.00 O ATOM 1435 CB ASP 2 39 -1.386 14.667 -6.662 1.00 0.00 C ATOM 1436 CG ASP 2 39 -1.705 16.067 -7.188 1.00 0.00 C ATOM 1437 OD1 ASP 2 39 -2.592 16.156 -8.065 1.00 0.00 O ATOM 1438 OD2 ASP 2 39 -1.055 17.018 -6.702 1.00 0.00 O ATOM 0 H ASP 2 39 0.519 13.151 -6.045 1.00 0.00 H new ATOM 0 HA ASP 2 39 -1.420 13.136 -8.174 1.00 0.00 H new ATOM 0 HB2 ASP 2 39 -2.316 14.193 -6.349 1.00 0.00 H new ATOM 0 HB3 ASP 2 39 -0.762 14.763 -5.773 1.00 0.00 H new ATOM 1443 N SER 2 40 0.655 15.703 -8.113 1.00 0.00 N ATOM 1444 CA SER 2 40 1.422 16.627 -8.930 1.00 0.00 C ATOM 1445 C SER 2 40 0.488 17.648 -9.583 1.00 0.00 C ATOM 1446 O SER 2 40 0.919 18.739 -9.954 1.00 0.00 O ATOM 1447 CB SER 2 40 2.224 15.881 -9.999 1.00 0.00 C ATOM 1448 OG SER 2 40 3.446 16.545 -10.309 1.00 0.00 O ATOM 0 H SER 2 40 0.591 15.958 -7.127 1.00 0.00 H new ATOM 0 HA SER 2 40 2.127 17.151 -8.284 1.00 0.00 H new ATOM 0 HB2 SER 2 40 2.438 14.870 -9.652 1.00 0.00 H new ATOM 0 HB3 SER 2 40 1.623 15.787 -10.903 1.00 0.00 H new ATOM 0 HG SER 2 40 3.930 16.037 -10.994 1.00 0.00 H new ATOM 1454 N ARG 2 41 -0.772 17.258 -9.701 1.00 0.00 N ATOM 1455 CA ARG 2 41 -1.770 18.126 -10.302 1.00 0.00 C ATOM 1456 C ARG 2 41 -1.974 19.376 -9.442 1.00 0.00 C ATOM 1457 O ARG 2 41 -2.049 20.487 -9.963 1.00 0.00 O ATOM 1458 CB ARG 2 41 -3.108 17.401 -10.460 1.00 0.00 C ATOM 1459 CG ARG 2 41 -2.898 15.964 -10.940 1.00 0.00 C ATOM 1460 CD ARG 2 41 -4.183 15.397 -11.548 1.00 0.00 C ATOM 1461 NE ARG 2 41 -5.187 15.167 -10.487 1.00 0.00 N ATOM 1462 CZ ARG 2 41 -6.133 16.052 -10.143 1.00 0.00 C ATOM 1463 NH1 ARG 2 41 -6.209 17.230 -10.775 1.00 0.00 N ATOM 1464 NH2 ARG 2 41 -7.002 15.757 -9.166 1.00 0.00 N ATOM 0 H ARG 2 41 -1.125 16.353 -9.391 1.00 0.00 H new ATOM 0 HA ARG 2 41 -1.407 18.414 -11.289 1.00 0.00 H new ATOM 0 HB2 ARG 2 41 -3.638 17.397 -9.508 1.00 0.00 H new ATOM 0 HB3 ARG 2 41 -3.735 17.938 -11.171 1.00 0.00 H new ATOM 0 HG2 ARG 2 41 -2.098 15.937 -11.680 1.00 0.00 H new ATOM 0 HG3 ARG 2 41 -2.580 15.340 -10.104 1.00 0.00 H new ATOM 0 HD2 ARG 2 41 -4.579 16.089 -12.291 1.00 0.00 H new ATOM 0 HD3 ARG 2 41 -3.968 14.462 -12.066 1.00 0.00 H new ATOM 0 HE ARG 2 41 -5.158 14.279 -9.986 1.00 0.00 H new ATOM 0 HH11 ARG 2 41 -5.547 17.454 -11.518 1.00 0.00 H new ATOM 0 HH12 ARG 2 41 -6.929 17.904 -10.513 1.00 0.00 H new ATOM 0 HH21 ARG 2 41 -6.943 14.860 -8.685 1.00 0.00 H new ATOM 0 HH22 ARG 2 41 -7.722 16.430 -8.904 1.00 0.00 H new ATOM 1478 N ILE 2 42 -2.058 19.151 -8.139 1.00 0.00 N ATOM 1479 CA ILE 2 42 -2.252 20.244 -7.202 1.00 0.00 C ATOM 1480 C ILE 2 42 -1.057 20.311 -6.249 1.00 0.00 C ATOM 1481 O ILE 2 42 -0.888 19.439 -5.398 1.00 0.00 O ATOM 1482 CB ILE 2 42 -3.600 20.108 -6.490 1.00 0.00 C ATOM 1483 CG1 ILE 2 42 -4.630 19.428 -7.394 1.00 0.00 C ATOM 1484 CG2 ILE 2 42 -4.090 21.464 -5.980 1.00 0.00 C ATOM 1485 CD1 ILE 2 42 -6.052 19.666 -6.880 1.00 0.00 C ATOM 0 H ILE 2 42 -1.995 18.228 -7.710 1.00 0.00 H new ATOM 0 HA ILE 2 42 -2.292 21.196 -7.731 1.00 0.00 H new ATOM 0 HB ILE 2 42 -3.464 19.468 -5.619 1.00 0.00 H new ATOM 0 HG12 ILE 2 42 -4.538 19.812 -8.410 1.00 0.00 H new ATOM 0 HG13 ILE 2 42 -4.430 18.357 -7.438 1.00 0.00 H new ATOM 0 HG21 ILE 2 42 -5.050 21.339 -5.478 1.00 0.00 H new ATOM 0 HG22 ILE 2 42 -3.364 21.873 -5.277 1.00 0.00 H new ATOM 0 HG23 ILE 2 42 -4.207 22.148 -6.820 1.00 0.00 H new ATOM 0 HD11 ILE 2 42 -6.765 19.172 -7.540 1.00 0.00 H new ATOM 0 HD12 ILE 2 42 -6.148 19.259 -5.873 1.00 0.00 H new ATOM 0 HD13 ILE 2 42 -6.257 20.736 -6.860 1.00 0.00 H new ATOM 1497 N PRO 2 43 -0.238 21.382 -6.427 1.00 0.00 N ATOM 1498 CA PRO 2 43 0.936 21.574 -5.593 1.00 0.00 C ATOM 1499 C PRO 2 43 0.543 22.064 -4.198 1.00 0.00 C ATOM 1500 O PRO 2 43 1.388 22.162 -3.310 1.00 0.00 O ATOM 1501 CB PRO 2 43 1.799 22.569 -6.351 1.00 0.00 C ATOM 1502 CG PRO 2 43 0.873 23.250 -7.347 1.00 0.00 C ATOM 1503 CD PRO 2 43 -0.407 22.435 -7.424 1.00 0.00 C ATOM 0 HA PRO 2 43 1.482 20.648 -5.416 1.00 0.00 H new ATOM 0 HB2 PRO 2 43 2.245 23.296 -5.672 1.00 0.00 H new ATOM 0 HB3 PRO 2 43 2.619 22.065 -6.862 1.00 0.00 H new ATOM 0 HG2 PRO 2 43 0.657 24.271 -7.032 1.00 0.00 H new ATOM 0 HG3 PRO 2 43 1.346 23.312 -8.327 1.00 0.00 H new ATOM 0 HD2 PRO 2 43 -1.281 23.049 -7.207 1.00 0.00 H new ATOM 0 HD3 PRO 2 43 -0.551 22.017 -8.420 1.00 0.00 H new ATOM 1511 N GLY 2 44 -0.740 22.357 -4.048 1.00 0.00 N ATOM 1512 CA GLY 2 44 -1.255 22.833 -2.776 1.00 0.00 C ATOM 1513 C GLY 2 44 -1.766 21.672 -1.922 1.00 0.00 C ATOM 1514 O GLY 2 44 -2.165 21.869 -0.774 1.00 0.00 O ATOM 0 H GLY 2 44 -1.438 22.274 -4.787 1.00 0.00 H new ATOM 0 HA2 GLY 2 44 -0.471 23.366 -2.239 1.00 0.00 H new ATOM 0 HA3 GLY 2 44 -2.063 23.544 -2.950 1.00 0.00 H new ATOM 1518 N VAL 2 45 -1.739 20.487 -2.513 1.00 0.00 N ATOM 1519 CA VAL 2 45 -2.194 19.294 -1.820 1.00 0.00 C ATOM 1520 C VAL 2 45 -1.045 18.286 -1.738 1.00 0.00 C ATOM 1521 O VAL 2 45 0.068 18.574 -2.174 1.00 0.00 O ATOM 1522 CB VAL 2 45 -3.436 18.729 -2.513 1.00 0.00 C ATOM 1523 CG1 VAL 2 45 -4.279 19.848 -3.127 1.00 0.00 C ATOM 1524 CG2 VAL 2 45 -3.051 17.691 -3.568 1.00 0.00 C ATOM 0 H VAL 2 45 -1.409 20.327 -3.465 1.00 0.00 H new ATOM 0 HA VAL 2 45 -2.488 19.535 -0.798 1.00 0.00 H new ATOM 0 HB VAL 2 45 -4.042 18.230 -1.757 1.00 0.00 H new ATOM 0 HG11 VAL 2 45 -5.155 19.419 -3.613 1.00 0.00 H new ATOM 0 HG12 VAL 2 45 -4.599 20.535 -2.343 1.00 0.00 H new ATOM 0 HG13 VAL 2 45 -3.685 20.389 -3.863 1.00 0.00 H new ATOM 0 HG21 VAL 2 45 -3.952 17.306 -4.045 1.00 0.00 H new ATOM 0 HG22 VAL 2 45 -2.413 18.156 -4.320 1.00 0.00 H new ATOM 0 HG23 VAL 2 45 -2.513 16.871 -3.092 1.00 0.00 H new ATOM 1534 N PRO 2 46 -1.364 17.097 -1.162 1.00 0.00 N ATOM 1535 CA PRO 2 46 -0.371 16.046 -1.017 1.00 0.00 C ATOM 1536 C PRO 2 46 -0.097 15.362 -2.358 1.00 0.00 C ATOM 1537 O PRO 2 46 -1.004 14.801 -2.970 1.00 0.00 O ATOM 1538 CB PRO 2 46 -0.948 15.101 0.024 1.00 0.00 C ATOM 1539 CG PRO 2 46 -2.437 15.403 0.082 1.00 0.00 C ATOM 1540 CD PRO 2 46 -2.673 16.722 -0.635 1.00 0.00 C ATOM 0 HA PRO 2 46 0.600 16.425 -0.697 1.00 0.00 H new ATOM 0 HB2 PRO 2 46 -0.771 14.061 -0.252 1.00 0.00 H new ATOM 0 HB3 PRO 2 46 -0.480 15.257 0.996 1.00 0.00 H new ATOM 0 HG2 PRO 2 46 -3.007 14.604 -0.391 1.00 0.00 H new ATOM 0 HG3 PRO 2 46 -2.774 15.465 1.117 1.00 0.00 H new ATOM 0 HD2 PRO 2 46 -3.405 16.612 -1.435 1.00 0.00 H new ATOM 0 HD3 PRO 2 46 -3.057 17.480 0.047 1.00 0.00 H new ATOM 1548 N TRP 2 47 1.159 15.433 -2.776 1.00 0.00 N ATOM 1549 CA TRP 2 47 1.564 14.828 -4.033 1.00 0.00 C ATOM 1550 C TRP 2 47 2.047 13.406 -3.740 1.00 0.00 C ATOM 1551 O TRP 2 47 2.866 12.860 -4.477 1.00 0.00 O ATOM 1552 CB TRP 2 47 2.618 15.684 -4.738 1.00 0.00 C ATOM 1553 CG TRP 2 47 2.745 17.101 -4.179 1.00 0.00 C ATOM 1554 CD1 TRP 2 47 1.928 18.144 -4.381 1.00 0.00 C ATOM 1555 CD2 TRP 2 47 3.788 17.593 -3.311 1.00 0.00 C ATOM 1556 NE1 TRP 2 47 2.366 19.268 -3.710 1.00 0.00 N ATOM 1557 CE2 TRP 2 47 3.533 18.922 -3.039 1.00 0.00 C ATOM 1558 CE3 TRP 2 47 4.910 16.938 -2.774 1.00 0.00 C ATOM 1559 CZ2 TRP 2 47 4.354 19.709 -2.221 1.00 0.00 C ATOM 1560 CZ3 TRP 2 47 5.720 17.737 -1.959 1.00 0.00 C ATOM 1561 CH2 TRP 2 47 5.478 19.076 -1.676 1.00 0.00 C ATOM 0 H TRP 2 47 1.909 15.900 -2.266 1.00 0.00 H new ATOM 0 HA TRP 2 47 0.723 14.774 -4.724 1.00 0.00 H new ATOM 0 HB2 TRP 2 47 3.585 15.187 -4.662 1.00 0.00 H new ATOM 0 HB3 TRP 2 47 2.373 15.744 -5.798 1.00 0.00 H new ATOM 0 HD1 TRP 2 47 1.038 18.109 -4.992 1.00 0.00 H new ATOM 0 HE1 TRP 2 47 1.916 20.183 -3.707 1.00 0.00 H new ATOM 0 HE3 TRP 2 47 5.130 15.900 -2.975 1.00 0.00 H new ATOM 0 HZ2 TRP 2 47 4.132 20.747 -2.022 1.00 0.00 H new ATOM 0 HZ3 TRP 2 47 6.595 17.281 -1.519 1.00 0.00 H new ATOM 0 HH2 TRP 2 47 6.154 19.626 -1.038 1.00 0.00 H new ATOM 1572 N CYS 2 48 1.518 12.846 -2.662 1.00 0.00 N ATOM 1573 CA CYS 2 48 1.885 11.499 -2.262 1.00 0.00 C ATOM 1574 C CYS 2 48 0.919 11.043 -1.167 1.00 0.00 C ATOM 1575 O CYS 2 48 1.019 11.484 -0.023 1.00 0.00 O ATOM 1576 CB CYS 2 48 3.344 11.421 -1.805 1.00 0.00 C ATOM 1577 SG CYS 2 48 4.039 9.730 -1.743 1.00 0.00 S ATOM 0 H CYS 2 48 0.838 13.301 -2.053 1.00 0.00 H new ATOM 0 HA CYS 2 48 1.805 10.829 -3.118 1.00 0.00 H new ATOM 0 HB2 CYS 2 48 3.953 12.025 -2.477 1.00 0.00 H new ATOM 0 HB3 CYS 2 48 3.424 11.868 -0.814 1.00 0.00 H new ATOM 1582 N PHE 2 49 0.005 10.166 -1.555 1.00 0.00 N ATOM 1583 CA PHE 2 49 -0.978 9.645 -0.621 1.00 0.00 C ATOM 1584 C PHE 2 49 -1.290 8.177 -0.914 1.00 0.00 C ATOM 1585 O PHE 2 49 -0.617 7.546 -1.728 1.00 0.00 O ATOM 1586 CB PHE 2 49 -2.253 10.472 -0.806 1.00 0.00 C ATOM 1587 CG PHE 2 49 -2.440 11.017 -2.223 1.00 0.00 C ATOM 1588 CD1 PHE 2 49 -1.572 11.939 -2.717 1.00 0.00 C ATOM 1589 CD2 PHE 2 49 -3.476 10.579 -2.988 1.00 0.00 C ATOM 1590 CE1 PHE 2 49 -1.745 12.445 -4.033 1.00 0.00 C ATOM 1591 CE2 PHE 2 49 -3.649 11.085 -4.304 1.00 0.00 C ATOM 1592 CZ PHE 2 49 -2.781 12.007 -4.799 1.00 0.00 C ATOM 0 H PHE 2 49 -0.075 9.803 -2.505 1.00 0.00 H new ATOM 0 HA PHE 2 49 -0.594 9.710 0.397 1.00 0.00 H new ATOM 0 HB2 PHE 2 49 -3.114 9.856 -0.548 1.00 0.00 H new ATOM 0 HB3 PHE 2 49 -2.237 11.307 -0.106 1.00 0.00 H new ATOM 0 HD1 PHE 2 49 -0.750 12.287 -2.109 1.00 0.00 H new ATOM 0 HD2 PHE 2 49 -4.166 9.847 -2.595 1.00 0.00 H new ATOM 0 HE1 PHE 2 49 -1.055 13.177 -4.425 1.00 0.00 H new ATOM 0 HE2 PHE 2 49 -4.471 10.737 -4.912 1.00 0.00 H new ATOM 0 HZ PHE 2 49 -2.914 12.392 -5.799 1.00 0.00 H new ATOM 1602 N LYS 2 50 -2.310 7.674 -0.233 1.00 0.00 N ATOM 1603 CA LYS 2 50 -2.719 6.291 -0.411 1.00 0.00 C ATOM 1604 C LYS 2 50 -4.191 6.248 -0.826 1.00 0.00 C ATOM 1605 O LYS 2 50 -5.046 5.820 -0.051 1.00 0.00 O ATOM 1606 CB LYS 2 50 -2.410 5.475 0.846 1.00 0.00 C ATOM 1607 CG LYS 2 50 -2.371 6.372 2.086 1.00 0.00 C ATOM 1608 CD LYS 2 50 -0.942 6.825 2.390 1.00 0.00 C ATOM 1609 CE LYS 2 50 0.017 5.634 2.414 1.00 0.00 C ATOM 1610 NZ LYS 2 50 -0.645 4.446 2.998 1.00 0.00 N ATOM 0 H LYS 2 50 -2.865 8.199 0.443 1.00 0.00 H new ATOM 0 HA LYS 2 50 -2.148 5.825 -1.214 1.00 0.00 H new ATOM 0 HB2 LYS 2 50 -3.166 4.701 0.976 1.00 0.00 H new ATOM 0 HB3 LYS 2 50 -1.452 4.968 0.729 1.00 0.00 H new ATOM 0 HG2 LYS 2 50 -3.007 7.243 1.929 1.00 0.00 H new ATOM 0 HG3 LYS 2 50 -2.775 5.832 2.942 1.00 0.00 H new ATOM 0 HD2 LYS 2 50 -0.617 7.543 1.638 1.00 0.00 H new ATOM 0 HD3 LYS 2 50 -0.916 7.337 3.352 1.00 0.00 H new ATOM 0 HE2 LYS 2 50 0.353 5.409 1.402 1.00 0.00 H new ATOM 0 HE3 LYS 2 50 0.904 5.886 2.995 1.00 0.00 H new ATOM 0 HZ1 LYS 2 50 0.077 3.777 3.335 1.00 0.00 H new ATOM 0 HZ2 LYS 2 50 -1.244 4.740 3.796 1.00 0.00 H new ATOM 0 HZ3 LYS 2 50 -1.233 3.986 2.274 1.00 0.00 H new ATOM 1624 N PRO 2 51 -4.448 6.710 -2.079 1.00 0.00 N ATOM 1625 CA PRO 2 51 -5.803 6.728 -2.606 1.00 0.00 C ATOM 1626 C PRO 2 51 -6.259 5.319 -2.993 1.00 0.00 C ATOM 1627 O PRO 2 51 -6.803 4.591 -2.165 1.00 0.00 O ATOM 1628 CB PRO 2 51 -5.752 7.682 -3.788 1.00 0.00 C ATOM 1629 CG PRO 2 51 -4.284 7.802 -4.164 1.00 0.00 C ATOM 1630 CD PRO 2 51 -3.461 7.224 -3.023 1.00 0.00 C ATOM 0 HA PRO 2 51 -6.536 7.063 -1.872 1.00 0.00 H new ATOM 0 HB2 PRO 2 51 -6.339 7.301 -4.623 1.00 0.00 H new ATOM 0 HB3 PRO 2 51 -6.168 8.654 -3.524 1.00 0.00 H new ATOM 0 HG2 PRO 2 51 -4.082 7.264 -5.091 1.00 0.00 H new ATOM 0 HG3 PRO 2 51 -4.018 8.845 -4.336 1.00 0.00 H new ATOM 0 HD2 PRO 2 51 -2.799 6.433 -3.374 1.00 0.00 H new ATOM 0 HD3 PRO 2 51 -2.832 7.986 -2.563 1.00 0.00 H new ATOM 1638 N LEU 2 52 -6.021 4.980 -4.252 1.00 0.00 N ATOM 1639 CA LEU 2 52 -6.400 3.672 -4.759 1.00 0.00 C ATOM 1640 C LEU 2 52 -5.167 2.769 -4.802 1.00 0.00 C ATOM 1641 O LEU 2 52 -5.004 1.978 -5.730 1.00 0.00 O ATOM 1642 CB LEU 2 52 -7.112 3.807 -6.107 1.00 0.00 C ATOM 1643 CG LEU 2 52 -6.263 3.512 -7.345 1.00 0.00 C ATOM 1644 CD1 LEU 2 52 -6.425 2.056 -7.786 1.00 0.00 C ATOM 1645 CD2 LEU 2 52 -6.583 4.493 -8.476 1.00 0.00 C ATOM 0 H LEU 2 52 -5.571 5.588 -4.936 1.00 0.00 H new ATOM 0 HA LEU 2 52 -7.118 3.197 -4.091 1.00 0.00 H new ATOM 0 HB2 LEU 2 52 -7.971 3.136 -6.111 1.00 0.00 H new ATOM 0 HB3 LEU 2 52 -7.501 4.822 -6.190 1.00 0.00 H new ATOM 0 HG LEU 2 52 -5.215 3.654 -7.083 1.00 0.00 H new ATOM 0 HD11 LEU 2 52 -5.811 1.872 -8.668 1.00 0.00 H new ATOM 0 HD12 LEU 2 52 -6.109 1.394 -6.980 1.00 0.00 H new ATOM 0 HD13 LEU 2 52 -7.471 1.862 -8.025 1.00 0.00 H new ATOM 0 HD21 LEU 2 52 -5.966 4.261 -9.344 1.00 0.00 H new ATOM 0 HD22 LEU 2 52 -7.636 4.407 -8.746 1.00 0.00 H new ATOM 0 HD23 LEU 2 52 -6.376 5.510 -8.145 1.00 0.00 H new ATOM 1657 N GLN 2 53 -4.329 2.916 -3.785 1.00 0.00 N ATOM 1658 CA GLN 2 53 -3.115 2.123 -3.695 1.00 0.00 C ATOM 1659 C GLN 2 53 -3.434 0.640 -3.898 1.00 0.00 C ATOM 1660 O GLN 2 53 -2.549 -0.150 -4.225 1.00 0.00 O ATOM 1661 CB GLN 2 53 -2.407 2.354 -2.359 1.00 0.00 C ATOM 1662 CG GLN 2 53 -1.981 3.815 -2.210 1.00 0.00 C ATOM 1663 CD GLN 2 53 -1.058 4.237 -3.355 1.00 0.00 C ATOM 1664 OE1 GLN 2 53 -1.140 5.335 -3.881 1.00 0.00 O ATOM 1665 NE2 GLN 2 53 -0.177 3.306 -3.710 1.00 0.00 N ATOM 0 H GLN 2 53 -4.467 3.573 -3.017 1.00 0.00 H new ATOM 0 HA GLN 2 53 -2.437 2.441 -4.487 1.00 0.00 H new ATOM 0 HB2 GLN 2 53 -3.071 2.080 -1.539 1.00 0.00 H new ATOM 0 HB3 GLN 2 53 -1.532 1.708 -2.290 1.00 0.00 H new ATOM 0 HG2 GLN 2 53 -2.863 4.455 -2.195 1.00 0.00 H new ATOM 0 HG3 GLN 2 53 -1.470 3.953 -1.257 1.00 0.00 H new ATOM 0 HE21 GLN 2 53 -0.162 2.407 -3.228 1.00 0.00 H new ATOM 0 HE22 GLN 2 53 0.484 3.491 -4.465 1.00 0.00 H new ATOM 1674 N GLU 2 54 -4.701 0.306 -3.697 1.00 0.00 N ATOM 1675 CA GLU 2 54 -5.146 -1.067 -3.853 1.00 0.00 C ATOM 1676 C GLU 2 54 -4.454 -1.717 -5.053 1.00 0.00 C ATOM 1677 O GLU 2 54 -4.294 -2.936 -5.096 1.00 0.00 O ATOM 1678 CB GLU 2 54 -6.668 -1.137 -3.995 1.00 0.00 C ATOM 1679 CG GLU 2 54 -7.112 -0.653 -5.377 1.00 0.00 C ATOM 1680 CD GLU 2 54 -7.475 -1.833 -6.281 1.00 0.00 C ATOM 1681 OE1 GLU 2 54 -7.959 -2.844 -5.729 1.00 0.00 O ATOM 1682 OE2 GLU 2 54 -7.258 -1.697 -7.505 1.00 0.00 O ATOM 0 H GLU 2 54 -5.433 0.964 -3.427 1.00 0.00 H new ATOM 0 HA GLU 2 54 -4.871 -1.621 -2.956 1.00 0.00 H new ATOM 0 HB2 GLU 2 54 -7.005 -2.162 -3.839 1.00 0.00 H new ATOM 0 HB3 GLU 2 54 -7.137 -0.526 -3.224 1.00 0.00 H new ATOM 0 HG2 GLU 2 54 -7.971 0.010 -5.275 1.00 0.00 H new ATOM 0 HG3 GLU 2 54 -6.313 -0.071 -5.836 1.00 0.00 H new ATOM 1689 N ALA 2 55 -4.060 -0.874 -5.997 1.00 0.00 N ATOM 1690 CA ALA 2 55 -3.389 -1.352 -7.193 1.00 0.00 C ATOM 1691 C ALA 2 55 -2.580 -2.605 -6.854 1.00 0.00 C ATOM 1692 O ALA 2 55 -2.839 -3.680 -7.391 1.00 0.00 O ATOM 1693 CB ALA 2 55 -2.518 -0.233 -7.769 1.00 0.00 C ATOM 0 H ALA 2 55 -4.193 0.137 -5.957 1.00 0.00 H new ATOM 0 HA ALA 2 55 -4.116 -1.627 -7.957 1.00 0.00 H new ATOM 0 HB1 ALA 2 55 -2.014 -0.590 -8.667 1.00 0.00 H new ATOM 0 HB2 ALA 2 55 -3.144 0.623 -8.021 1.00 0.00 H new ATOM 0 HB3 ALA 2 55 -1.775 0.066 -7.030 1.00 0.00 H new ATOM 1699 N GLU 2 56 -1.616 -2.425 -5.963 1.00 0.00 N ATOM 1700 CA GLU 2 56 -0.767 -3.527 -5.544 1.00 0.00 C ATOM 1701 C GLU 2 56 -0.566 -3.498 -4.028 1.00 0.00 C ATOM 1702 O GLU 2 56 0.322 -4.167 -3.502 1.00 0.00 O ATOM 1703 CB GLU 2 56 0.576 -3.493 -6.275 1.00 0.00 C ATOM 1704 CG GLU 2 56 1.371 -2.240 -5.906 1.00 0.00 C ATOM 1705 CD GLU 2 56 2.814 -2.593 -5.543 1.00 0.00 C ATOM 1706 OE1 GLU 2 56 3.475 -3.226 -6.394 1.00 0.00 O ATOM 1707 OE2 GLU 2 56 3.224 -2.222 -4.422 1.00 0.00 O ATOM 0 H GLU 2 56 -1.404 -1.531 -5.519 1.00 0.00 H new ATOM 0 HA GLU 2 56 -1.264 -4.461 -5.807 1.00 0.00 H new ATOM 0 HB2 GLU 2 56 1.154 -4.382 -6.022 1.00 0.00 H new ATOM 0 HB3 GLU 2 56 0.408 -3.517 -7.352 1.00 0.00 H new ATOM 0 HG2 GLU 2 56 1.363 -1.541 -6.742 1.00 0.00 H new ATOM 0 HG3 GLU 2 56 0.894 -1.737 -5.065 1.00 0.00 H new ATOM 1714 N CYS 2 57 -1.406 -2.715 -3.367 1.00 0.00 N ATOM 1715 CA CYS 2 57 -1.332 -2.589 -1.922 1.00 0.00 C ATOM 1716 C CYS 2 57 -2.242 -3.650 -1.300 1.00 0.00 C ATOM 1717 O CYS 2 57 -1.771 -4.698 -0.862 1.00 0.00 O ATOM 1718 CB CYS 2 57 -1.700 -1.178 -1.456 1.00 0.00 C ATOM 1719 SG CYS 2 57 -0.297 -0.188 -0.824 1.00 0.00 S ATOM 0 H CYS 2 57 -2.142 -2.161 -3.806 1.00 0.00 H new ATOM 0 HA CYS 2 57 -0.306 -2.753 -1.593 1.00 0.00 H new ATOM 0 HB2 CYS 2 57 -2.158 -0.644 -2.288 1.00 0.00 H new ATOM 0 HB3 CYS 2 57 -2.454 -1.254 -0.673 1.00 0.00 H new ATOM 1724 N THR 2 58 -3.531 -3.341 -1.281 1.00 0.00 N ATOM 1725 CA THR 2 58 -4.511 -4.255 -0.720 1.00 0.00 C ATOM 1726 C THR 2 58 -4.278 -5.675 -1.242 1.00 0.00 C ATOM 1727 O THR 2 58 -4.531 -6.648 -0.536 1.00 0.00 O ATOM 1728 CB THR 2 58 -5.903 -3.710 -1.042 1.00 0.00 C ATOM 1729 OG1 THR 2 58 -6.768 -4.424 -0.160 1.00 0.00 O ATOM 1730 CG2 THR 2 58 -6.381 -4.113 -2.439 1.00 0.00 C ATOM 0 H THR 2 58 -3.919 -2.471 -1.645 1.00 0.00 H new ATOM 0 HA THR 2 58 -4.415 -4.322 0.364 1.00 0.00 H new ATOM 0 HB THR 2 58 -5.895 -2.623 -0.960 1.00 0.00 H new ATOM 0 HG1 THR 2 58 -7.693 -4.131 -0.301 1.00 0.00 H new ATOM 0 HG21 THR 2 58 -7.374 -3.700 -2.617 1.00 0.00 H new ATOM 0 HG22 THR 2 58 -5.688 -3.726 -3.186 1.00 0.00 H new ATOM 0 HG23 THR 2 58 -6.422 -5.200 -2.510 1.00 0.00 H new ATOM 1738 N PHE 2 59 -3.797 -5.745 -2.475 1.00 0.00 N ATOM 1739 CA PHE 2 59 -3.526 -7.029 -3.099 1.00 0.00 C ATOM 1740 C PHE 2 59 -2.648 -7.902 -2.201 1.00 0.00 C ATOM 1741 O PHE 2 59 -2.267 -9.007 -2.584 1.00 0.00 O ATOM 1742 CB PHE 2 59 -2.776 -6.743 -4.402 1.00 0.00 C ATOM 1743 CG PHE 2 59 -3.683 -6.620 -5.628 1.00 0.00 C ATOM 1744 CD1 PHE 2 59 -4.761 -5.793 -5.597 1.00 0.00 C ATOM 1745 CD2 PHE 2 59 -3.410 -7.340 -6.750 1.00 0.00 C ATOM 1746 CE1 PHE 2 59 -5.603 -5.679 -6.736 1.00 0.00 C ATOM 1747 CE2 PHE 2 59 -4.252 -7.227 -7.888 1.00 0.00 C ATOM 1748 CZ PHE 2 59 -5.330 -6.399 -7.856 1.00 0.00 C ATOM 0 H PHE 2 59 -3.588 -4.934 -3.058 1.00 0.00 H new ATOM 0 HA PHE 2 59 -4.461 -7.561 -3.275 1.00 0.00 H new ATOM 0 HB2 PHE 2 59 -2.209 -5.819 -4.288 1.00 0.00 H new ATOM 0 HB3 PHE 2 59 -2.053 -7.540 -4.576 1.00 0.00 H new ATOM 0 HD1 PHE 2 59 -4.978 -5.222 -4.706 1.00 0.00 H new ATOM 0 HD2 PHE 2 59 -2.553 -7.997 -6.775 1.00 0.00 H new ATOM 0 HE1 PHE 2 59 -6.459 -5.021 -6.712 1.00 0.00 H new ATOM 0 HE2 PHE 2 59 -4.036 -7.799 -8.779 1.00 0.00 H new ATOM 0 HZ PHE 2 59 -5.970 -6.313 -8.722 1.00 0.00 H new TER 1758 PHE 2 59