USER MOD reduce.3.24.130724 H: found=0, std=0, add=846, rem=0, adj=20 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: 1 23 TYR OH : rot 21:sc= -1.26 USER MOD Set 1.2: 2 23 TYR OH : rot 30:sc= -1.43! USER MOD Single : 1 1 GLU N :NH3+ -171:sc= 0 (180deg=-0.064) USER MOD Single : 1 3 TYR OH : rot 180:sc= 0 USER MOD Single : 1 7 SER OG : rot 180:sc= 0 USER MOD Single : 1 9 ASN : amide:sc= 0.166 X(o=0.17,f=0) USER MOD Single : 1 10 GLN : amide:sc= -18.1! C(o=-18!,f=-22!) USER MOD Single : 1 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 25 HIS : no HD1:sc= -0.0398 K(o=-0.04,f=-0.54) USER MOD Single : 1 27 THR OG1 : rot 60:sc= 0.0258 USER MOD Single : 1 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 32 ASN :FLIP amide:sc= -0.426 F(o=-2.5,f=-0.43) USER MOD Single : 1 33 ASN : amide:sc= -0.0561 X(o=-0.056,f=-0.049) USER MOD Single : 1 40 SER OG : rot 180:sc= 0 USER MOD Single : 1 50 LYS NZ :NH3+ -136:sc= -2.2 (180deg=-5.85!) USER MOD Single : 1 53 GLN : amide:sc= -13.2! C(o=-13!,f=-19!) USER MOD Single : 1 58 THR OG1 : rot -145:sc= -1.37 USER MOD Single : 2 1 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 2 3 TYR OH : rot 180:sc= 0 USER MOD Single : 2 7 SER OG : rot 119:sc= 0.0458 USER MOD Single : 2 9 ASN :FLIP amide:sc= 0 F(o=-0.75,f=0) USER MOD Single : 2 10 GLN :FLIP amide:sc= -3.17 F(o=-6.5!,f=-3.2) USER MOD Single : 2 16 LYS NZ :NH3+ 157:sc= 0.93 (180deg=-0.0133!) USER MOD Single : 2 25 HIS : no HD1:sc= -0.256 X(o=-0.26,f=-0.093) USER MOD Single : 2 27 THR OG1 : rot 180:sc= -0.106 USER MOD Single : 2 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 2 32 ASN :FLIP amide:sc= -0.336 F(o=-1.8,f=-0.34) USER MOD Single : 2 33 ASN : amide:sc= -0.0725 X(o=-0.072,f=-0.052) USER MOD Single : 2 40 SER OG : rot 99:sc= 0.333 USER MOD Single : 2 50 LYS NZ :NH3+ -104:sc= 0.079 (180deg=0) USER MOD Single : 2 53 GLN : amide:sc= -15! C(o=-15!,f=-23!) USER MOD Single : 2 58 THR OG1 : rot 180:sc= -1.57 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU 1 1 -13.620 -7.605 -5.228 1.00 0.00 N ATOM 2 CA GLU 1 1 -14.744 -6.929 -4.605 1.00 0.00 C ATOM 3 C GLU 1 1 -14.897 -7.379 -3.150 1.00 0.00 C ATOM 4 O GLU 1 1 -15.064 -6.553 -2.254 1.00 0.00 O ATOM 5 CB GLU 1 1 -16.034 -7.170 -5.392 1.00 0.00 C ATOM 6 CG GLU 1 1 -16.207 -6.124 -6.496 1.00 0.00 C ATOM 7 CD GLU 1 1 -16.634 -6.780 -7.809 1.00 0.00 C ATOM 8 OE1 GLU 1 1 -15.760 -7.417 -8.437 1.00 0.00 O ATOM 9 OE2 GLU 1 1 -17.826 -6.631 -8.158 1.00 0.00 O ATOM 0 H1 GLU 1 1 -13.433 -7.182 -6.160 1.00 0.00 H new ATOM 0 H2 GLU 1 1 -12.777 -7.504 -4.627 1.00 0.00 H new ATOM 0 H3 GLU 1 1 -13.843 -8.614 -5.344 1.00 0.00 H new ATOM 0 HA GLU 1 1 -14.547 -5.857 -4.613 1.00 0.00 H new ATOM 0 HB2 GLU 1 1 -16.015 -8.168 -5.831 1.00 0.00 H new ATOM 0 HB3 GLU 1 1 -16.888 -7.135 -4.716 1.00 0.00 H new ATOM 0 HG2 GLU 1 1 -16.953 -5.390 -6.193 1.00 0.00 H new ATOM 0 HG3 GLU 1 1 -15.271 -5.585 -6.642 1.00 0.00 H new ATOM 16 N GLU 1 2 -14.833 -8.690 -2.961 1.00 0.00 N ATOM 17 CA GLU 1 2 -14.962 -9.260 -1.631 1.00 0.00 C ATOM 18 C GLU 1 2 -13.585 -9.404 -0.981 1.00 0.00 C ATOM 19 O GLU 1 2 -12.986 -10.478 -1.018 1.00 0.00 O ATOM 20 CB GLU 1 2 -15.688 -10.606 -1.680 1.00 0.00 C ATOM 21 CG GLU 1 2 -16.760 -10.691 -0.591 1.00 0.00 C ATOM 22 CD GLU 1 2 -17.650 -11.919 -0.792 1.00 0.00 C ATOM 23 OE1 GLU 1 2 -17.969 -12.204 -1.966 1.00 0.00 O ATOM 24 OE2 GLU 1 2 -17.990 -12.547 0.234 1.00 0.00 O ATOM 0 H GLU 1 2 -14.694 -9.372 -3.706 1.00 0.00 H new ATOM 0 HA GLU 1 2 -15.561 -8.583 -1.022 1.00 0.00 H new ATOM 0 HB2 GLU 1 2 -16.148 -10.740 -2.659 1.00 0.00 H new ATOM 0 HB3 GLU 1 2 -14.970 -11.416 -1.552 1.00 0.00 H new ATOM 0 HG2 GLU 1 2 -16.285 -10.738 0.389 1.00 0.00 H new ATOM 0 HG3 GLU 1 2 -17.371 -9.788 -0.606 1.00 0.00 H new ATOM 31 N TYR 1 3 -13.124 -8.307 -0.398 1.00 0.00 N ATOM 32 CA TYR 1 3 -11.829 -8.298 0.261 1.00 0.00 C ATOM 33 C TYR 1 3 -11.815 -9.251 1.457 1.00 0.00 C ATOM 34 O TYR 1 3 -11.801 -8.811 2.605 1.00 0.00 O ATOM 35 CB TYR 1 3 -11.621 -6.866 0.762 1.00 0.00 C ATOM 36 CG TYR 1 3 -12.010 -5.790 -0.253 1.00 0.00 C ATOM 37 CD1 TYR 1 3 -11.274 -5.635 -1.411 1.00 0.00 C ATOM 38 CD2 TYR 1 3 -13.094 -4.972 -0.011 1.00 0.00 C ATOM 39 CE1 TYR 1 3 -11.639 -4.622 -2.367 1.00 0.00 C ATOM 40 CE2 TYR 1 3 -13.460 -3.958 -0.967 1.00 0.00 C ATOM 41 CZ TYR 1 3 -12.714 -3.833 -2.097 1.00 0.00 C ATOM 42 OH TYR 1 3 -13.060 -2.875 -2.999 1.00 0.00 O ATOM 0 H TYR 1 3 -13.624 -7.418 -0.368 1.00 0.00 H new ATOM 0 HA TYR 1 3 -11.046 -8.619 -0.427 1.00 0.00 H new ATOM 0 HB2 TYR 1 3 -12.205 -6.722 1.671 1.00 0.00 H new ATOM 0 HB3 TYR 1 3 -10.573 -6.735 1.032 1.00 0.00 H new ATOM 0 HD1 TYR 1 3 -10.424 -6.274 -1.600 1.00 0.00 H new ATOM 0 HD2 TYR 1 3 -13.669 -5.092 0.896 1.00 0.00 H new ATOM 0 HE1 TYR 1 3 -11.073 -4.492 -3.277 1.00 0.00 H new ATOM 0 HE2 TYR 1 3 -14.307 -3.312 -0.790 1.00 0.00 H new ATOM 0 HH TYR 1 3 -13.847 -2.389 -2.675 1.00 0.00 H new ATOM 52 N VAL 1 4 -11.820 -10.539 1.147 1.00 0.00 N ATOM 53 CA VAL 1 4 -11.809 -11.558 2.183 1.00 0.00 C ATOM 54 C VAL 1 4 -10.724 -12.588 1.865 1.00 0.00 C ATOM 55 O VAL 1 4 -9.866 -12.870 2.702 1.00 0.00 O ATOM 56 CB VAL 1 4 -13.200 -12.180 2.321 1.00 0.00 C ATOM 57 CG1 VAL 1 4 -13.193 -13.320 3.341 1.00 0.00 C ATOM 58 CG2 VAL 1 4 -14.240 -11.119 2.691 1.00 0.00 C ATOM 0 H VAL 1 4 -11.832 -10.900 0.193 1.00 0.00 H new ATOM 0 HA VAL 1 4 -11.568 -11.117 3.150 1.00 0.00 H new ATOM 0 HB VAL 1 4 -13.477 -12.599 1.354 1.00 0.00 H new ATOM 0 HG11 VAL 1 4 -14.194 -13.744 3.419 1.00 0.00 H new ATOM 0 HG12 VAL 1 4 -12.496 -14.093 3.018 1.00 0.00 H new ATOM 0 HG13 VAL 1 4 -12.884 -12.936 4.313 1.00 0.00 H new ATOM 0 HG21 VAL 1 4 -15.220 -11.587 2.783 1.00 0.00 H new ATOM 0 HG22 VAL 1 4 -13.967 -10.658 3.640 1.00 0.00 H new ATOM 0 HG23 VAL 1 4 -14.274 -10.356 1.913 1.00 0.00 H new ATOM 68 N GLY 1 5 -10.795 -13.124 0.655 1.00 0.00 N ATOM 69 CA GLY 1 5 -9.829 -14.116 0.218 1.00 0.00 C ATOM 70 C GLY 1 5 -8.409 -13.546 0.237 1.00 0.00 C ATOM 71 O GLY 1 5 -7.437 -14.287 0.104 1.00 0.00 O ATOM 0 H GLY 1 5 -11.507 -12.889 -0.036 1.00 0.00 H new ATOM 0 HA2 GLY 1 5 -9.882 -14.991 0.866 1.00 0.00 H new ATOM 0 HA3 GLY 1 5 -10.077 -14.451 -0.789 1.00 0.00 H new ATOM 75 N LEU 1 6 -8.336 -12.234 0.401 1.00 0.00 N ATOM 76 CA LEU 1 6 -7.051 -11.555 0.438 1.00 0.00 C ATOM 77 C LEU 1 6 -7.042 -10.553 1.595 1.00 0.00 C ATOM 78 O LEU 1 6 -6.361 -9.531 1.530 1.00 0.00 O ATOM 79 CB LEU 1 6 -6.737 -10.928 -0.921 1.00 0.00 C ATOM 80 CG LEU 1 6 -7.519 -11.483 -2.113 1.00 0.00 C ATOM 81 CD1 LEU 1 6 -7.252 -12.978 -2.297 1.00 0.00 C ATOM 82 CD2 LEU 1 6 -9.013 -11.181 -1.976 1.00 0.00 C ATOM 0 H LEU 1 6 -9.145 -11.622 0.510 1.00 0.00 H new ATOM 0 HA LEU 1 6 -6.248 -12.268 0.627 1.00 0.00 H new ATOM 0 HB2 LEU 1 6 -6.924 -9.856 -0.856 1.00 0.00 H new ATOM 0 HB3 LEU 1 6 -5.673 -11.054 -1.120 1.00 0.00 H new ATOM 0 HG LEU 1 6 -7.169 -10.980 -3.015 1.00 0.00 H new ATOM 0 HD11 LEU 1 6 -7.820 -13.347 -3.151 1.00 0.00 H new ATOM 0 HD12 LEU 1 6 -6.188 -13.139 -2.472 1.00 0.00 H new ATOM 0 HD13 LEU 1 6 -7.557 -13.515 -1.399 1.00 0.00 H new ATOM 0 HD21 LEU 1 6 -9.546 -11.586 -2.836 1.00 0.00 H new ATOM 0 HD22 LEU 1 6 -9.395 -11.639 -1.064 1.00 0.00 H new ATOM 0 HD23 LEU 1 6 -9.164 -10.102 -1.931 1.00 0.00 H new ATOM 94 N SER 1 7 -7.809 -10.880 2.625 1.00 0.00 N ATOM 95 CA SER 1 7 -7.897 -10.022 3.794 1.00 0.00 C ATOM 96 C SER 1 7 -7.230 -10.699 4.993 1.00 0.00 C ATOM 97 O SER 1 7 -7.200 -11.926 5.079 1.00 0.00 O ATOM 98 CB SER 1 7 -9.353 -9.680 4.118 1.00 0.00 C ATOM 99 OG SER 1 7 -9.881 -10.518 5.143 1.00 0.00 O ATOM 0 H SER 1 7 -8.375 -11.727 2.674 1.00 0.00 H new ATOM 0 HA SER 1 7 -7.374 -9.091 3.575 1.00 0.00 H new ATOM 0 HB2 SER 1 7 -9.420 -8.638 4.431 1.00 0.00 H new ATOM 0 HB3 SER 1 7 -9.959 -9.782 3.218 1.00 0.00 H new ATOM 0 HG SER 1 7 -10.811 -10.268 5.323 1.00 0.00 H new ATOM 105 N ALA 1 8 -6.714 -9.870 5.889 1.00 0.00 N ATOM 106 CA ALA 1 8 -6.051 -10.374 7.079 1.00 0.00 C ATOM 107 C ALA 1 8 -5.334 -11.683 6.743 1.00 0.00 C ATOM 108 O ALA 1 8 -4.154 -11.678 6.393 1.00 0.00 O ATOM 109 CB ALA 1 8 -7.076 -10.542 8.202 1.00 0.00 C ATOM 0 H ALA 1 8 -6.742 -8.853 5.814 1.00 0.00 H new ATOM 0 HA ALA 1 8 -5.299 -9.667 7.428 1.00 0.00 H new ATOM 0 HB1 ALA 1 8 -6.579 -10.920 9.095 1.00 0.00 H new ATOM 0 HB2 ALA 1 8 -7.535 -9.578 8.423 1.00 0.00 H new ATOM 0 HB3 ALA 1 8 -7.846 -11.247 7.889 1.00 0.00 H new ATOM 115 N ASN 1 9 -6.076 -12.775 6.860 1.00 0.00 N ATOM 116 CA ASN 1 9 -5.526 -14.089 6.573 1.00 0.00 C ATOM 117 C ASN 1 9 -4.619 -13.999 5.343 1.00 0.00 C ATOM 118 O ASN 1 9 -3.717 -14.818 5.173 1.00 0.00 O ATOM 119 CB ASN 1 9 -6.637 -15.096 6.268 1.00 0.00 C ATOM 120 CG ASN 1 9 -6.229 -16.507 6.698 1.00 0.00 C ATOM 121 OD1 ASN 1 9 -6.743 -17.065 7.654 1.00 0.00 O ATOM 122 ND2 ASN 1 9 -5.282 -17.051 5.940 1.00 0.00 N ATOM 0 H ASN 1 9 -7.054 -12.776 7.150 1.00 0.00 H new ATOM 0 HA ASN 1 9 -4.969 -14.421 7.449 1.00 0.00 H new ATOM 0 HB2 ASN 1 9 -7.550 -14.804 6.786 1.00 0.00 H new ATOM 0 HB3 ASN 1 9 -6.859 -15.087 5.201 1.00 0.00 H new ATOM 0 HD21 ASN 1 9 -4.943 -17.991 6.144 1.00 0.00 H new ATOM 0 HD22 ASN 1 9 -4.895 -16.528 5.154 1.00 0.00 H new ATOM 129 N GLN 1 10 -4.890 -12.997 4.520 1.00 0.00 N ATOM 130 CA GLN 1 10 -4.108 -12.790 3.312 1.00 0.00 C ATOM 131 C GLN 1 10 -2.621 -12.682 3.653 1.00 0.00 C ATOM 132 O GLN 1 10 -1.791 -13.360 3.051 1.00 0.00 O ATOM 133 CB GLN 1 10 -4.590 -11.551 2.554 1.00 0.00 C ATOM 134 CG GLN 1 10 -3.419 -10.624 2.221 1.00 0.00 C ATOM 135 CD GLN 1 10 -3.793 -9.650 1.102 1.00 0.00 C ATOM 136 OE1 GLN 1 10 -4.305 -8.567 1.332 1.00 0.00 O ATOM 137 NE2 GLN 1 10 -3.508 -10.094 -0.119 1.00 0.00 N ATOM 0 H GLN 1 10 -5.639 -12.320 4.665 1.00 0.00 H new ATOM 0 HA GLN 1 10 -4.248 -13.652 2.660 1.00 0.00 H new ATOM 0 HB2 GLN 1 10 -5.091 -11.854 1.635 1.00 0.00 H new ATOM 0 HB3 GLN 1 10 -5.324 -11.015 3.155 1.00 0.00 H new ATOM 0 HG2 GLN 1 10 -3.127 -10.066 3.111 1.00 0.00 H new ATOM 0 HG3 GLN 1 10 -2.556 -11.217 1.919 1.00 0.00 H new ATOM 0 HE21 GLN 1 10 -3.079 -11.011 -0.241 1.00 0.00 H new ATOM 0 HE22 GLN 1 10 -3.718 -9.517 -0.933 1.00 0.00 H new ATOM 146 N CYS 1 11 -2.329 -11.822 4.619 1.00 0.00 N ATOM 147 CA CYS 1 11 -0.957 -11.616 5.048 1.00 0.00 C ATOM 148 C CYS 1 11 -0.446 -12.917 5.668 1.00 0.00 C ATOM 149 O CYS 1 11 0.724 -13.017 6.036 1.00 0.00 O ATOM 150 CB CYS 1 11 -0.838 -10.437 6.016 1.00 0.00 C ATOM 151 SG CYS 1 11 0.790 -10.279 6.836 1.00 0.00 S ATOM 0 H CYS 1 11 -3.020 -11.260 5.116 1.00 0.00 H new ATOM 0 HA CYS 1 11 -0.340 -11.359 4.187 1.00 0.00 H new ATOM 0 HB2 CYS 1 11 -1.046 -9.516 5.472 1.00 0.00 H new ATOM 0 HB3 CYS 1 11 -1.607 -10.535 6.782 1.00 0.00 H new ATOM 156 N ALA 1 12 -1.348 -13.883 5.764 1.00 0.00 N ATOM 157 CA ALA 1 12 -1.004 -15.175 6.334 1.00 0.00 C ATOM 158 C ALA 1 12 -0.852 -16.199 5.208 1.00 0.00 C ATOM 159 O ALA 1 12 -0.951 -17.404 5.441 1.00 0.00 O ATOM 160 CB ALA 1 12 -2.068 -15.583 7.354 1.00 0.00 C ATOM 0 H ALA 1 12 -2.317 -13.797 5.457 1.00 0.00 H new ATOM 0 HA ALA 1 12 -0.052 -15.121 6.861 1.00 0.00 H new ATOM 0 HB1 ALA 1 12 -1.810 -16.552 7.781 1.00 0.00 H new ATOM 0 HB2 ALA 1 12 -2.116 -14.838 8.148 1.00 0.00 H new ATOM 0 HB3 ALA 1 12 -3.038 -15.651 6.861 1.00 0.00 H new ATOM 166 N VAL 1 13 -0.613 -15.684 4.010 1.00 0.00 N ATOM 167 CA VAL 1 13 -0.446 -16.540 2.847 1.00 0.00 C ATOM 168 C VAL 1 13 0.424 -17.741 3.224 1.00 0.00 C ATOM 169 O VAL 1 13 1.044 -17.755 4.286 1.00 0.00 O ATOM 170 CB VAL 1 13 0.125 -15.731 1.680 1.00 0.00 C ATOM 171 CG1 VAL 1 13 -0.989 -15.266 0.740 1.00 0.00 C ATOM 172 CG2 VAL 1 13 0.947 -14.544 2.187 1.00 0.00 C ATOM 0 H VAL 1 13 -0.531 -14.685 3.820 1.00 0.00 H new ATOM 0 HA VAL 1 13 -1.410 -16.928 2.516 1.00 0.00 H new ATOM 0 HB VAL 1 13 0.791 -16.382 1.114 1.00 0.00 H new ATOM 0 HG11 VAL 1 13 -0.557 -14.693 -0.081 1.00 0.00 H new ATOM 0 HG12 VAL 1 13 -1.514 -16.134 0.340 1.00 0.00 H new ATOM 0 HG13 VAL 1 13 -1.691 -14.639 1.290 1.00 0.00 H new ATOM 0 HG21 VAL 1 13 1.342 -13.986 1.338 1.00 0.00 H new ATOM 0 HG22 VAL 1 13 0.312 -13.892 2.787 1.00 0.00 H new ATOM 0 HG23 VAL 1 13 1.773 -14.908 2.797 1.00 0.00 H new ATOM 182 N PRO 1 14 0.441 -18.747 2.309 1.00 0.00 N ATOM 183 CA PRO 1 14 1.225 -19.950 2.534 1.00 0.00 C ATOM 184 C PRO 1 14 2.716 -19.681 2.320 1.00 0.00 C ATOM 185 O PRO 1 14 3.528 -20.604 2.360 1.00 0.00 O ATOM 186 CB PRO 1 14 0.660 -20.974 1.564 1.00 0.00 C ATOM 187 CG PRO 1 14 -0.099 -20.180 0.513 1.00 0.00 C ATOM 188 CD PRO 1 14 -0.281 -18.766 1.040 1.00 0.00 C ATOM 0 HA PRO 1 14 1.156 -20.312 3.560 1.00 0.00 H new ATOM 0 HB2 PRO 1 14 1.457 -21.562 1.109 1.00 0.00 H new ATOM 0 HB3 PRO 1 14 0.000 -21.674 2.076 1.00 0.00 H new ATOM 0 HG2 PRO 1 14 0.451 -20.169 -0.428 1.00 0.00 H new ATOM 0 HG3 PRO 1 14 -1.066 -20.640 0.312 1.00 0.00 H new ATOM 0 HD2 PRO 1 14 0.121 -18.029 0.345 1.00 0.00 H new ATOM 0 HD3 PRO 1 14 -1.335 -18.529 1.181 1.00 0.00 H new ATOM 196 N ALA 1 15 3.030 -18.414 2.097 1.00 0.00 N ATOM 197 CA ALA 1 15 4.409 -18.012 1.876 1.00 0.00 C ATOM 198 C ALA 1 15 4.786 -18.279 0.417 1.00 0.00 C ATOM 199 O ALA 1 15 5.846 -18.838 0.138 1.00 0.00 O ATOM 200 CB ALA 1 15 5.320 -18.752 2.858 1.00 0.00 C ATOM 0 H ALA 1 15 2.353 -17.652 2.064 1.00 0.00 H new ATOM 0 HA ALA 1 15 4.531 -16.944 2.058 1.00 0.00 H new ATOM 0 HB1 ALA 1 15 6.354 -18.451 2.692 1.00 0.00 H new ATOM 0 HB2 ALA 1 15 5.030 -18.506 3.879 1.00 0.00 H new ATOM 0 HB3 ALA 1 15 5.226 -19.827 2.702 1.00 0.00 H new ATOM 206 N LYS 1 16 3.897 -17.867 -0.475 1.00 0.00 N ATOM 207 CA LYS 1 16 4.124 -18.053 -1.898 1.00 0.00 C ATOM 208 C LYS 1 16 2.939 -17.480 -2.678 1.00 0.00 C ATOM 209 O LYS 1 16 2.439 -18.112 -3.608 1.00 0.00 O ATOM 210 CB LYS 1 16 4.409 -19.525 -2.206 1.00 0.00 C ATOM 211 CG LYS 1 16 3.790 -20.438 -1.146 1.00 0.00 C ATOM 212 CD LYS 1 16 3.381 -21.782 -1.751 1.00 0.00 C ATOM 213 CE LYS 1 16 4.487 -22.824 -1.570 1.00 0.00 C ATOM 214 NZ LYS 1 16 3.913 -24.120 -1.144 1.00 0.00 N ATOM 0 H LYS 1 16 3.018 -17.405 -0.240 1.00 0.00 H new ATOM 0 HA LYS 1 16 5.011 -17.506 -2.218 1.00 0.00 H new ATOM 0 HB2 LYS 1 16 4.009 -19.779 -3.188 1.00 0.00 H new ATOM 0 HB3 LYS 1 16 5.486 -19.689 -2.248 1.00 0.00 H new ATOM 0 HG2 LYS 1 16 4.504 -20.601 -0.339 1.00 0.00 H new ATOM 0 HG3 LYS 1 16 2.918 -19.953 -0.707 1.00 0.00 H new ATOM 0 HD2 LYS 1 16 2.464 -22.134 -1.278 1.00 0.00 H new ATOM 0 HD3 LYS 1 16 3.165 -21.657 -2.812 1.00 0.00 H new ATOM 0 HE2 LYS 1 16 5.032 -22.951 -2.505 1.00 0.00 H new ATOM 0 HE3 LYS 1 16 5.205 -22.476 -0.827 1.00 0.00 H new ATOM 0 HZ1 LYS 1 16 4.677 -24.816 -1.026 1.00 0.00 H new ATOM 0 HZ2 LYS 1 16 3.413 -23.998 -0.240 1.00 0.00 H new ATOM 0 HZ3 LYS 1 16 3.245 -24.458 -1.866 1.00 0.00 H new ATOM 228 N ASP 1 17 2.522 -16.291 -2.270 1.00 0.00 N ATOM 229 CA ASP 1 17 1.405 -15.626 -2.919 1.00 0.00 C ATOM 230 C ASP 1 17 1.531 -14.114 -2.718 1.00 0.00 C ATOM 231 O ASP 1 17 0.595 -13.367 -3.000 1.00 0.00 O ATOM 232 CB ASP 1 17 0.072 -16.073 -2.316 1.00 0.00 C ATOM 233 CG ASP 1 17 -1.171 -15.505 -3.003 1.00 0.00 C ATOM 234 OD1 ASP 1 17 -1.504 -16.019 -4.092 1.00 0.00 O ATOM 235 OD2 ASP 1 17 -1.761 -14.568 -2.423 1.00 0.00 O ATOM 0 H ASP 1 17 2.938 -15.770 -1.498 1.00 0.00 H new ATOM 0 HA ASP 1 17 1.427 -15.885 -3.978 1.00 0.00 H new ATOM 0 HB2 ASP 1 17 0.022 -17.161 -2.350 1.00 0.00 H new ATOM 0 HB3 ASP 1 17 0.051 -15.785 -1.265 1.00 0.00 H new ATOM 240 N ARG 1 18 2.695 -13.709 -2.233 1.00 0.00 N ATOM 241 CA ARG 1 18 2.956 -12.300 -1.992 1.00 0.00 C ATOM 242 C ARG 1 18 3.610 -11.663 -3.218 1.00 0.00 C ATOM 243 O ARG 1 18 3.926 -12.353 -4.187 1.00 0.00 O ATOM 244 CB ARG 1 18 3.867 -12.108 -0.778 1.00 0.00 C ATOM 245 CG ARG 1 18 3.429 -13.001 0.384 1.00 0.00 C ATOM 246 CD ARG 1 18 4.637 -13.634 1.076 1.00 0.00 C ATOM 247 NE ARG 1 18 4.189 -14.481 2.205 1.00 0.00 N ATOM 248 CZ ARG 1 18 4.923 -14.722 3.299 1.00 0.00 C ATOM 249 NH1 ARG 1 18 6.144 -14.184 3.421 1.00 0.00 N ATOM 250 NH2 ARG 1 18 4.435 -15.502 4.274 1.00 0.00 N ATOM 0 H ARG 1 18 3.468 -14.332 -2.000 1.00 0.00 H new ATOM 0 HA ARG 1 18 2.000 -11.816 -1.794 1.00 0.00 H new ATOM 0 HB2 ARG 1 18 4.896 -12.340 -1.051 1.00 0.00 H new ATOM 0 HB3 ARG 1 18 3.848 -11.064 -0.466 1.00 0.00 H new ATOM 0 HG2 ARG 1 18 2.860 -12.413 1.104 1.00 0.00 H new ATOM 0 HG3 ARG 1 18 2.765 -13.783 0.016 1.00 0.00 H new ATOM 0 HD2 ARG 1 18 5.202 -14.234 0.363 1.00 0.00 H new ATOM 0 HD3 ARG 1 18 5.308 -12.855 1.439 1.00 0.00 H new ATOM 0 HE ARG 1 18 3.264 -14.907 2.146 1.00 0.00 H new ATOM 0 HH11 ARG 1 18 6.516 -13.590 2.680 1.00 0.00 H new ATOM 0 HH12 ARG 1 18 6.702 -14.369 4.255 1.00 0.00 H new ATOM 0 HH21 ARG 1 18 3.505 -15.911 4.182 1.00 0.00 H new ATOM 0 HH22 ARG 1 18 4.993 -15.686 5.107 1.00 0.00 H new ATOM 264 N VAL 1 19 3.796 -10.353 -3.138 1.00 0.00 N ATOM 265 CA VAL 1 19 4.407 -9.616 -4.230 1.00 0.00 C ATOM 266 C VAL 1 19 5.820 -9.191 -3.825 1.00 0.00 C ATOM 267 O VAL 1 19 6.383 -8.261 -4.401 1.00 0.00 O ATOM 268 CB VAL 1 19 3.519 -8.434 -4.627 1.00 0.00 C ATOM 269 CG1 VAL 1 19 3.858 -7.942 -6.034 1.00 0.00 C ATOM 270 CG2 VAL 1 19 2.037 -8.801 -4.515 1.00 0.00 C ATOM 0 H VAL 1 19 3.534 -9.784 -2.333 1.00 0.00 H new ATOM 0 HA VAL 1 19 4.497 -10.249 -5.113 1.00 0.00 H new ATOM 0 HB VAL 1 19 3.716 -7.618 -3.932 1.00 0.00 H new ATOM 0 HG11 VAL 1 19 3.213 -7.102 -6.291 1.00 0.00 H new ATOM 0 HG12 VAL 1 19 4.900 -7.623 -6.067 1.00 0.00 H new ATOM 0 HG13 VAL 1 19 3.704 -8.750 -6.749 1.00 0.00 H new ATOM 0 HG21 VAL 1 19 1.427 -7.944 -4.802 1.00 0.00 H new ATOM 0 HG22 VAL 1 19 1.819 -9.640 -5.176 1.00 0.00 H new ATOM 0 HG23 VAL 1 19 1.808 -9.080 -3.487 1.00 0.00 H new ATOM 280 N ASP 1 20 6.354 -9.893 -2.836 1.00 0.00 N ATOM 281 CA ASP 1 20 7.690 -9.602 -2.347 1.00 0.00 C ATOM 282 C ASP 1 20 7.947 -8.097 -2.447 1.00 0.00 C ATOM 283 O ASP 1 20 8.404 -7.608 -3.480 1.00 0.00 O ATOM 284 CB ASP 1 20 8.752 -10.319 -3.182 1.00 0.00 C ATOM 285 CG ASP 1 20 10.097 -9.597 -3.278 1.00 0.00 C ATOM 286 OD1 ASP 1 20 10.757 -9.486 -2.223 1.00 0.00 O ATOM 287 OD2 ASP 1 20 10.434 -9.172 -4.405 1.00 0.00 O ATOM 0 H ASP 1 20 5.884 -10.663 -2.360 1.00 0.00 H new ATOM 0 HA ASP 1 20 7.753 -9.945 -1.314 1.00 0.00 H new ATOM 0 HB2 ASP 1 20 8.918 -11.309 -2.758 1.00 0.00 H new ATOM 0 HB3 ASP 1 20 8.363 -10.465 -4.190 1.00 0.00 H new ATOM 292 N CYS 1 21 7.645 -7.402 -1.360 1.00 0.00 N ATOM 293 CA CYS 1 21 7.838 -5.963 -1.312 1.00 0.00 C ATOM 294 C CYS 1 21 9.283 -5.659 -1.710 1.00 0.00 C ATOM 295 O CYS 1 21 9.556 -4.638 -2.341 1.00 0.00 O ATOM 296 CB CYS 1 21 7.491 -5.390 0.063 1.00 0.00 C ATOM 297 SG CYS 1 21 6.552 -3.819 0.027 1.00 0.00 S ATOM 0 H CYS 1 21 7.267 -7.810 -0.505 1.00 0.00 H new ATOM 0 HA CYS 1 21 7.159 -5.479 -2.014 1.00 0.00 H new ATOM 0 HB2 CYS 1 21 6.911 -6.131 0.614 1.00 0.00 H new ATOM 0 HB3 CYS 1 21 8.415 -5.232 0.619 1.00 0.00 H new ATOM 302 N GLY 1 22 10.172 -6.562 -1.324 1.00 0.00 N ATOM 303 CA GLY 1 22 11.583 -6.404 -1.632 1.00 0.00 C ATOM 304 C GLY 1 22 12.122 -5.087 -1.069 1.00 0.00 C ATOM 305 O GLY 1 22 12.691 -4.281 -1.803 1.00 0.00 O ATOM 0 H GLY 1 22 9.942 -7.406 -0.800 1.00 0.00 H new ATOM 0 HA2 GLY 1 22 12.146 -7.239 -1.215 1.00 0.00 H new ATOM 0 HA3 GLY 1 22 11.728 -6.429 -2.712 1.00 0.00 H new ATOM 309 N TYR 1 23 11.923 -4.910 0.229 1.00 0.00 N ATOM 310 CA TYR 1 23 12.381 -3.704 0.899 1.00 0.00 C ATOM 311 C TYR 1 23 13.804 -3.882 1.434 1.00 0.00 C ATOM 312 O TYR 1 23 14.145 -4.941 1.960 1.00 0.00 O ATOM 313 CB TYR 1 23 11.429 -3.487 2.076 1.00 0.00 C ATOM 314 CG TYR 1 23 10.990 -2.034 2.261 1.00 0.00 C ATOM 315 CD1 TYR 1 23 10.748 -1.240 1.158 1.00 0.00 C ATOM 316 CD2 TYR 1 23 10.833 -1.517 3.531 1.00 0.00 C ATOM 317 CE1 TYR 1 23 10.334 0.128 1.332 1.00 0.00 C ATOM 318 CE2 TYR 1 23 10.419 -0.149 3.706 1.00 0.00 C ATOM 319 CZ TYR 1 23 10.191 0.606 2.597 1.00 0.00 C ATOM 320 OH TYR 1 23 9.798 1.899 2.762 1.00 0.00 O ATOM 0 H TYR 1 23 11.451 -5.581 0.835 1.00 0.00 H new ATOM 0 HA TYR 1 23 12.389 -2.861 0.209 1.00 0.00 H new ATOM 0 HB2 TYR 1 23 10.544 -4.108 1.934 1.00 0.00 H new ATOM 0 HB3 TYR 1 23 11.914 -3.828 2.990 1.00 0.00 H new ATOM 0 HD1 TYR 1 23 10.869 -1.645 0.164 1.00 0.00 H new ATOM 0 HD2 TYR 1 23 11.021 -2.139 4.394 1.00 0.00 H new ATOM 0 HE1 TYR 1 23 10.141 0.760 0.478 1.00 0.00 H new ATOM 0 HE2 TYR 1 23 10.292 0.268 4.694 1.00 0.00 H new ATOM 0 HH TYR 1 23 9.352 2.212 1.947 1.00 0.00 H new ATOM 330 N PRO 1 24 14.616 -2.803 1.277 1.00 0.00 N ATOM 331 CA PRO 1 24 15.993 -2.829 1.739 1.00 0.00 C ATOM 332 C PRO 1 24 16.064 -2.705 3.262 1.00 0.00 C ATOM 333 O PRO 1 24 17.136 -2.833 3.850 1.00 0.00 O ATOM 334 CB PRO 1 24 16.673 -1.677 1.017 1.00 0.00 C ATOM 335 CG PRO 1 24 15.553 -0.767 0.540 1.00 0.00 C ATOM 336 CD PRO 1 24 14.246 -1.533 0.659 1.00 0.00 C ATOM 0 HA PRO 1 24 16.493 -3.772 1.516 1.00 0.00 H new ATOM 0 HB2 PRO 1 24 17.352 -1.145 1.683 1.00 0.00 H new ATOM 0 HB3 PRO 1 24 17.267 -2.038 0.178 1.00 0.00 H new ATOM 0 HG2 PRO 1 24 15.518 0.142 1.140 1.00 0.00 H new ATOM 0 HG3 PRO 1 24 15.723 -0.461 -0.492 1.00 0.00 H new ATOM 0 HD2 PRO 1 24 13.524 -0.991 1.269 1.00 0.00 H new ATOM 0 HD3 PRO 1 24 13.787 -1.687 -0.317 1.00 0.00 H new ATOM 344 N HIS 1 25 14.906 -2.457 3.857 1.00 0.00 N ATOM 345 CA HIS 1 25 14.823 -2.314 5.302 1.00 0.00 C ATOM 346 C HIS 1 25 13.722 -3.227 5.845 1.00 0.00 C ATOM 347 O HIS 1 25 13.003 -2.853 6.770 1.00 0.00 O ATOM 348 CB HIS 1 25 14.625 -0.847 5.692 1.00 0.00 C ATOM 349 CG HIS 1 25 15.805 0.039 5.369 1.00 0.00 C ATOM 350 ND1 HIS 1 25 17.115 -0.399 5.450 1.00 0.00 N ATOM 351 CD2 HIS 1 25 15.857 1.340 4.963 1.00 0.00 C ATOM 352 CE1 HIS 1 25 17.912 0.603 5.108 1.00 0.00 C ATOM 353 NE2 HIS 1 25 17.130 1.679 4.806 1.00 0.00 N ATOM 0 H HIS 1 25 14.018 -2.351 3.366 1.00 0.00 H new ATOM 0 HA HIS 1 25 15.763 -2.626 5.757 1.00 0.00 H new ATOM 0 HB2 HIS 1 25 13.743 -0.461 5.180 1.00 0.00 H new ATOM 0 HB3 HIS 1 25 14.423 -0.790 6.762 1.00 0.00 H new ATOM 0 HD2 HIS 1 25 15.006 1.985 4.797 1.00 0.00 H new ATOM 0 HE1 HIS 1 25 18.991 0.573 5.074 1.00 0.00 H new ATOM 0 HE2 HIS 1 25 17.468 2.594 4.508 1.00 0.00 H new ATOM 362 N VAL 1 26 13.624 -4.404 5.246 1.00 0.00 N ATOM 363 CA VAL 1 26 12.623 -5.372 5.658 1.00 0.00 C ATOM 364 C VAL 1 26 12.785 -5.663 7.151 1.00 0.00 C ATOM 365 O VAL 1 26 13.840 -6.123 7.586 1.00 0.00 O ATOM 366 CB VAL 1 26 12.720 -6.629 4.790 1.00 0.00 C ATOM 367 CG1 VAL 1 26 14.181 -7.004 4.532 1.00 0.00 C ATOM 368 CG2 VAL 1 26 11.959 -7.794 5.424 1.00 0.00 C ATOM 0 H VAL 1 26 14.222 -4.709 4.478 1.00 0.00 H new ATOM 0 HA VAL 1 26 11.621 -4.969 5.512 1.00 0.00 H new ATOM 0 HB VAL 1 26 12.255 -6.410 3.829 1.00 0.00 H new ATOM 0 HG11 VAL 1 26 14.223 -7.900 3.913 1.00 0.00 H new ATOM 0 HG12 VAL 1 26 14.682 -6.184 4.017 1.00 0.00 H new ATOM 0 HG13 VAL 1 26 14.681 -7.195 5.482 1.00 0.00 H new ATOM 0 HG21 VAL 1 26 12.044 -8.674 4.787 1.00 0.00 H new ATOM 0 HG22 VAL 1 26 12.381 -8.014 6.405 1.00 0.00 H new ATOM 0 HG23 VAL 1 26 10.908 -7.526 5.533 1.00 0.00 H new ATOM 378 N THR 1 27 11.725 -5.383 7.895 1.00 0.00 N ATOM 379 CA THR 1 27 11.737 -5.609 9.330 1.00 0.00 C ATOM 380 C THR 1 27 10.322 -5.489 9.901 1.00 0.00 C ATOM 381 O THR 1 27 9.482 -4.784 9.344 1.00 0.00 O ATOM 382 CB THR 1 27 12.729 -4.628 9.955 1.00 0.00 C ATOM 383 OG1 THR 1 27 13.709 -5.465 10.565 1.00 0.00 O ATOM 384 CG2 THR 1 27 12.125 -3.849 11.125 1.00 0.00 C ATOM 0 H THR 1 27 10.852 -5.002 7.531 1.00 0.00 H new ATOM 0 HA THR 1 27 12.065 -6.621 9.568 1.00 0.00 H new ATOM 0 HB THR 1 27 13.075 -3.929 9.194 1.00 0.00 H new ATOM 0 HG1 THR 1 27 14.123 -6.034 9.883 1.00 0.00 H new ATOM 0 HG21 THR 1 27 12.872 -3.167 11.532 1.00 0.00 H new ATOM 0 HG22 THR 1 27 11.264 -3.279 10.777 1.00 0.00 H new ATOM 0 HG23 THR 1 27 11.809 -4.546 11.901 1.00 0.00 H new ATOM 392 N PRO 1 28 10.097 -6.206 11.035 1.00 0.00 N ATOM 393 CA PRO 1 28 8.798 -6.187 11.687 1.00 0.00 C ATOM 394 C PRO 1 28 8.581 -4.870 12.435 1.00 0.00 C ATOM 395 O PRO 1 28 8.361 -4.869 13.645 1.00 0.00 O ATOM 396 CB PRO 1 28 8.801 -7.398 12.604 1.00 0.00 C ATOM 397 CG PRO 1 28 10.261 -7.784 12.781 1.00 0.00 C ATOM 398 CD PRO 1 28 11.068 -7.051 11.722 1.00 0.00 C ATOM 0 HA PRO 1 28 7.970 -6.242 10.980 1.00 0.00 H new ATOM 0 HB2 PRO 1 28 8.340 -7.162 13.563 1.00 0.00 H new ATOM 0 HB3 PRO 1 28 8.230 -8.218 12.169 1.00 0.00 H new ATOM 0 HG2 PRO 1 28 10.608 -7.516 13.779 1.00 0.00 H new ATOM 0 HG3 PRO 1 28 10.386 -8.862 12.678 1.00 0.00 H new ATOM 0 HD2 PRO 1 28 11.863 -6.456 12.171 1.00 0.00 H new ATOM 0 HD3 PRO 1 28 11.543 -7.749 11.033 1.00 0.00 H new ATOM 406 N LYS 1 29 8.650 -3.781 11.683 1.00 0.00 N ATOM 407 CA LYS 1 29 8.462 -2.461 12.261 1.00 0.00 C ATOM 408 C LYS 1 29 8.623 -1.403 11.167 1.00 0.00 C ATOM 409 O LYS 1 29 8.079 -0.305 11.275 1.00 0.00 O ATOM 410 CB LYS 1 29 9.400 -2.260 13.453 1.00 0.00 C ATOM 411 CG LYS 1 29 9.153 -0.906 14.122 1.00 0.00 C ATOM 412 CD LYS 1 29 9.065 -1.053 15.642 1.00 0.00 C ATOM 413 CE LYS 1 29 7.722 -1.656 16.057 1.00 0.00 C ATOM 414 NZ LYS 1 29 7.697 -1.915 17.514 1.00 0.00 N ATOM 0 H LYS 1 29 8.833 -3.786 10.680 1.00 0.00 H new ATOM 0 HA LYS 1 29 7.452 -2.359 12.658 1.00 0.00 H new ATOM 0 HB2 LYS 1 29 9.250 -3.060 14.177 1.00 0.00 H new ATOM 0 HB3 LYS 1 29 10.436 -2.322 13.120 1.00 0.00 H new ATOM 0 HG2 LYS 1 29 9.958 -0.218 13.866 1.00 0.00 H new ATOM 0 HG3 LYS 1 29 8.229 -0.471 13.741 1.00 0.00 H new ATOM 0 HD2 LYS 1 29 9.878 -1.687 15.997 1.00 0.00 H new ATOM 0 HD3 LYS 1 29 9.191 -0.078 16.113 1.00 0.00 H new ATOM 0 HE2 LYS 1 29 6.913 -0.976 15.789 1.00 0.00 H new ATOM 0 HE3 LYS 1 29 7.551 -2.585 15.514 1.00 0.00 H new ATOM 0 HZ1 LYS 1 29 6.778 -2.324 17.778 1.00 0.00 H new ATOM 0 HZ2 LYS 1 29 8.457 -2.581 17.761 1.00 0.00 H new ATOM 0 HZ3 LYS 1 29 7.839 -1.022 18.028 1.00 0.00 H new ATOM 428 N GLU 1 30 9.372 -1.771 10.137 1.00 0.00 N ATOM 429 CA GLU 1 30 9.612 -0.869 9.025 1.00 0.00 C ATOM 430 C GLU 1 30 8.668 -1.194 7.865 1.00 0.00 C ATOM 431 O GLU 1 30 8.072 -0.295 7.273 1.00 0.00 O ATOM 432 CB GLU 1 30 11.073 -0.926 8.577 1.00 0.00 C ATOM 433 CG GLU 1 30 11.816 0.353 8.965 1.00 0.00 C ATOM 434 CD GLU 1 30 13.331 0.158 8.872 1.00 0.00 C ATOM 435 OE1 GLU 1 30 13.774 -0.980 9.143 1.00 0.00 O ATOM 436 OE2 GLU 1 30 14.012 1.149 8.532 1.00 0.00 O ATOM 0 H GLU 1 30 9.821 -2.683 10.050 1.00 0.00 H new ATOM 0 HA GLU 1 30 9.409 0.149 9.358 1.00 0.00 H new ATOM 0 HB2 GLU 1 30 11.563 -1.787 9.031 1.00 0.00 H new ATOM 0 HB3 GLU 1 30 11.121 -1.065 7.497 1.00 0.00 H new ATOM 0 HG2 GLU 1 30 11.510 1.168 8.310 1.00 0.00 H new ATOM 0 HG3 GLU 1 30 11.545 0.641 9.981 1.00 0.00 H new ATOM 443 N CYS 1 31 8.564 -2.482 7.574 1.00 0.00 N ATOM 444 CA CYS 1 31 7.703 -2.938 6.495 1.00 0.00 C ATOM 445 C CYS 1 31 6.258 -2.583 6.849 1.00 0.00 C ATOM 446 O CYS 1 31 5.570 -1.920 6.075 1.00 0.00 O ATOM 447 CB CYS 1 31 7.875 -4.435 6.229 1.00 0.00 C ATOM 448 SG CYS 1 31 9.240 -4.862 5.088 1.00 0.00 S ATOM 0 H CYS 1 31 9.061 -3.224 8.066 1.00 0.00 H new ATOM 0 HA CYS 1 31 7.981 -2.437 5.568 1.00 0.00 H new ATOM 0 HB2 CYS 1 31 8.043 -4.941 7.180 1.00 0.00 H new ATOM 0 HB3 CYS 1 31 6.943 -4.826 5.820 1.00 0.00 H new ATOM 453 N ASN 1 32 5.841 -3.039 8.021 1.00 0.00 N ATOM 454 CA ASN 1 32 4.490 -2.777 8.488 1.00 0.00 C ATOM 455 C ASN 1 32 4.315 -1.274 8.711 1.00 0.00 C ATOM 456 O ASN 1 32 3.216 -0.813 9.018 1.00 0.00 O ATOM 457 CB ASN 1 32 4.219 -3.488 9.816 1.00 0.00 C ATOM 458 CG ASN 1 32 3.463 -4.799 9.592 1.00 0.00 C ATOM 459 OD1 ASN 1 32 4.122 -5.683 8.848 1.00 0.00 O flip ATOM 460 ND2 ASN 1 32 2.355 -4.995 10.064 1.00 0.00 N flip ATOM 0 H ASN 1 32 6.415 -3.588 8.661 1.00 0.00 H new ATOM 0 HA ASN 1 32 3.795 -3.145 7.734 1.00 0.00 H new ATOM 0 HB2 ASN 1 32 5.162 -3.690 10.323 1.00 0.00 H new ATOM 0 HB3 ASN 1 32 3.639 -2.837 10.470 1.00 0.00 H new ATOM 0 HD21 ASN 1 32 1.905 -4.273 10.627 1.00 0.00 H new ATOM 0 HD22 ASN 1 32 1.878 -5.881 9.896 1.00 0.00 H new ATOM 467 N ASN 1 33 5.413 -0.552 8.548 1.00 0.00 N ATOM 468 CA ASN 1 33 5.394 0.890 8.728 1.00 0.00 C ATOM 469 C ASN 1 33 5.471 1.571 7.361 1.00 0.00 C ATOM 470 O ASN 1 33 4.988 2.689 7.192 1.00 0.00 O ATOM 471 CB ASN 1 33 6.592 1.357 9.557 1.00 0.00 C ATOM 472 CG ASN 1 33 6.693 2.884 9.562 1.00 0.00 C ATOM 473 OD1 ASN 1 33 5.771 3.591 9.930 1.00 0.00 O ATOM 474 ND2 ASN 1 33 7.864 3.350 9.135 1.00 0.00 N ATOM 0 H ASN 1 33 6.322 -0.938 8.293 1.00 0.00 H new ATOM 0 HA ASN 1 33 4.472 1.153 9.246 1.00 0.00 H new ATOM 0 HB2 ASN 1 33 6.496 0.992 10.580 1.00 0.00 H new ATOM 0 HB3 ASN 1 33 7.509 0.930 9.151 1.00 0.00 H new ATOM 0 HD21 ASN 1 33 8.031 4.356 9.102 1.00 0.00 H new ATOM 0 HD22 ASN 1 33 8.594 2.702 8.841 1.00 0.00 H new ATOM 481 N ARG 1 34 6.082 0.868 6.418 1.00 0.00 N ATOM 482 CA ARG 1 34 6.228 1.391 5.070 1.00 0.00 C ATOM 483 C ARG 1 34 4.980 1.079 4.241 1.00 0.00 C ATOM 484 O ARG 1 34 4.628 1.834 3.336 1.00 0.00 O ATOM 485 CB ARG 1 34 7.454 0.793 4.377 1.00 0.00 C ATOM 486 CG ARG 1 34 7.108 -0.533 3.698 1.00 0.00 C ATOM 487 CD ARG 1 34 6.541 -0.299 2.297 1.00 0.00 C ATOM 488 NE ARG 1 34 7.503 -0.770 1.276 1.00 0.00 N ATOM 489 CZ ARG 1 34 7.245 -0.810 -0.039 1.00 0.00 C ATOM 490 NH1 ARG 1 34 6.053 -0.406 -0.500 1.00 0.00 N ATOM 491 NH2 ARG 1 34 8.179 -1.251 -0.892 1.00 0.00 N ATOM 0 H ARG 1 34 6.482 -0.059 6.561 1.00 0.00 H new ATOM 0 HA ARG 1 34 6.358 2.471 5.146 1.00 0.00 H new ATOM 0 HB2 ARG 1 34 7.836 1.496 3.637 1.00 0.00 H new ATOM 0 HB3 ARG 1 34 8.248 0.635 5.107 1.00 0.00 H new ATOM 0 HG2 ARG 1 34 8.000 -1.157 3.634 1.00 0.00 H new ATOM 0 HG3 ARG 1 34 6.382 -1.077 4.302 1.00 0.00 H new ATOM 0 HD2 ARG 1 34 5.594 -0.827 2.186 1.00 0.00 H new ATOM 0 HD3 ARG 1 34 6.334 0.761 2.152 1.00 0.00 H new ATOM 0 HE ARG 1 34 8.420 -1.084 1.593 1.00 0.00 H new ATOM 0 HH11 ARG 1 34 5.343 -0.068 0.150 1.00 0.00 H new ATOM 0 HH12 ARG 1 34 5.856 -0.436 -1.500 1.00 0.00 H new ATOM 0 HH21 ARG 1 34 9.087 -1.556 -0.541 1.00 0.00 H new ATOM 0 HH22 ARG 1 34 7.982 -1.281 -1.892 1.00 0.00 H new ATOM 505 N GLY 1 35 4.346 -0.033 4.580 1.00 0.00 N ATOM 506 CA GLY 1 35 3.145 -0.455 3.880 1.00 0.00 C ATOM 507 C GLY 1 35 3.267 -1.903 3.404 1.00 0.00 C ATOM 508 O GLY 1 35 2.591 -2.310 2.461 1.00 0.00 O ATOM 0 H GLY 1 35 4.642 -0.656 5.332 1.00 0.00 H new ATOM 0 HA2 GLY 1 35 2.282 -0.357 4.539 1.00 0.00 H new ATOM 0 HA3 GLY 1 35 2.969 0.199 3.026 1.00 0.00 H new ATOM 512 N CYS 1 36 4.136 -2.642 4.078 1.00 0.00 N ATOM 513 CA CYS 1 36 4.354 -4.038 3.736 1.00 0.00 C ATOM 514 C CYS 1 36 4.014 -4.891 4.959 1.00 0.00 C ATOM 515 O CYS 1 36 3.679 -4.361 6.017 1.00 0.00 O ATOM 516 CB CYS 1 36 5.785 -4.282 3.249 1.00 0.00 C ATOM 517 SG CYS 1 36 6.286 -3.278 1.805 1.00 0.00 S ATOM 0 H CYS 1 36 4.697 -2.301 4.859 1.00 0.00 H new ATOM 0 HA CYS 1 36 3.704 -4.319 2.907 1.00 0.00 H new ATOM 0 HB2 CYS 1 36 6.473 -4.080 4.070 1.00 0.00 H new ATOM 0 HB3 CYS 1 36 5.893 -5.337 2.995 1.00 0.00 H new ATOM 522 N CYS 1 37 4.113 -6.200 4.773 1.00 0.00 N ATOM 523 CA CYS 1 37 3.818 -7.132 5.849 1.00 0.00 C ATOM 524 C CYS 1 37 5.050 -8.014 6.069 1.00 0.00 C ATOM 525 O CYS 1 37 5.569 -8.609 5.126 1.00 0.00 O ATOM 526 CB CYS 1 37 2.568 -7.962 5.552 1.00 0.00 C ATOM 527 SG CYS 1 37 1.716 -8.622 7.030 1.00 0.00 S ATOM 0 H CYS 1 37 4.393 -6.637 3.895 1.00 0.00 H new ATOM 0 HA CYS 1 37 3.598 -6.580 6.763 1.00 0.00 H new ATOM 0 HB2 CYS 1 37 1.866 -7.347 4.990 1.00 0.00 H new ATOM 0 HB3 CYS 1 37 2.847 -8.796 4.908 1.00 0.00 H new ATOM 532 N PHE 1 38 5.481 -8.069 7.320 1.00 0.00 N ATOM 533 CA PHE 1 38 6.642 -8.868 7.677 1.00 0.00 C ATOM 534 C PHE 1 38 6.227 -10.282 8.092 1.00 0.00 C ATOM 535 O PHE 1 38 5.467 -10.455 9.041 1.00 0.00 O ATOM 536 CB PHE 1 38 7.313 -8.177 8.865 1.00 0.00 C ATOM 537 CG PHE 1 38 8.710 -8.710 9.188 1.00 0.00 C ATOM 538 CD1 PHE 1 38 9.775 -8.326 8.435 1.00 0.00 C ATOM 539 CD2 PHE 1 38 8.887 -9.569 10.228 1.00 0.00 C ATOM 540 CE1 PHE 1 38 11.072 -8.820 8.735 1.00 0.00 C ATOM 541 CE2 PHE 1 38 10.184 -10.064 10.526 1.00 0.00 C ATOM 542 CZ PHE 1 38 11.249 -9.679 9.774 1.00 0.00 C ATOM 0 H PHE 1 38 5.048 -7.574 8.099 1.00 0.00 H new ATOM 0 HA PHE 1 38 7.314 -8.951 6.823 1.00 0.00 H new ATOM 0 HB2 PHE 1 38 7.382 -7.109 8.659 1.00 0.00 H new ATOM 0 HB3 PHE 1 38 6.679 -8.292 9.744 1.00 0.00 H new ATOM 0 HD1 PHE 1 38 9.634 -7.645 7.609 1.00 0.00 H new ATOM 0 HD2 PHE 1 38 8.041 -9.874 10.827 1.00 0.00 H new ATOM 0 HE1 PHE 1 38 11.918 -8.513 8.138 1.00 0.00 H new ATOM 0 HE2 PHE 1 38 10.325 -10.747 11.351 1.00 0.00 H new ATOM 0 HZ PHE 1 38 12.235 -10.055 10.002 1.00 0.00 H new ATOM 552 N ASP 1 39 6.747 -11.255 7.358 1.00 0.00 N ATOM 553 CA ASP 1 39 6.441 -12.648 7.637 1.00 0.00 C ATOM 554 C ASP 1 39 7.338 -13.144 8.774 1.00 0.00 C ATOM 555 O ASP 1 39 6.925 -13.161 9.932 1.00 0.00 O ATOM 556 CB ASP 1 39 6.702 -13.526 6.412 1.00 0.00 C ATOM 557 CG ASP 1 39 7.215 -14.933 6.722 1.00 0.00 C ATOM 558 OD1 ASP 1 39 6.401 -15.735 7.230 1.00 0.00 O ATOM 559 OD2 ASP 1 39 8.409 -15.176 6.443 1.00 0.00 O ATOM 0 H ASP 1 39 7.378 -11.106 6.571 1.00 0.00 H new ATOM 0 HA ASP 1 39 5.388 -12.714 7.909 1.00 0.00 H new ATOM 0 HB2 ASP 1 39 5.778 -13.610 5.841 1.00 0.00 H new ATOM 0 HB3 ASP 1 39 7.428 -13.024 5.772 1.00 0.00 H new ATOM 564 N SER 1 40 8.547 -13.537 8.402 1.00 0.00 N ATOM 565 CA SER 1 40 9.506 -14.031 9.375 1.00 0.00 C ATOM 566 C SER 1 40 9.275 -15.524 9.624 1.00 0.00 C ATOM 567 O SER 1 40 10.182 -16.232 10.057 1.00 0.00 O ATOM 568 CB SER 1 40 9.409 -13.253 10.689 1.00 0.00 C ATOM 569 OG SER 1 40 10.673 -13.144 11.339 1.00 0.00 O ATOM 0 H SER 1 40 8.885 -13.523 7.440 1.00 0.00 H new ATOM 0 HA SER 1 40 10.508 -13.886 8.972 1.00 0.00 H new ATOM 0 HB2 SER 1 40 9.015 -12.256 10.492 1.00 0.00 H new ATOM 0 HB3 SER 1 40 8.701 -13.749 11.353 1.00 0.00 H new ATOM 0 HG SER 1 40 10.570 -12.640 12.173 1.00 0.00 H new ATOM 575 N ARG 1 41 8.055 -15.957 9.341 1.00 0.00 N ATOM 576 CA ARG 1 41 7.694 -17.351 9.528 1.00 0.00 C ATOM 577 C ARG 1 41 8.504 -18.242 8.585 1.00 0.00 C ATOM 578 O ARG 1 41 8.999 -19.292 8.988 1.00 0.00 O ATOM 579 CB ARG 1 41 6.202 -17.572 9.271 1.00 0.00 C ATOM 580 CG ARG 1 41 5.370 -16.423 9.845 1.00 0.00 C ATOM 581 CD ARG 1 41 4.196 -16.955 10.669 1.00 0.00 C ATOM 582 NE ARG 1 41 4.694 -17.587 11.911 1.00 0.00 N ATOM 583 CZ ARG 1 41 3.993 -18.466 12.640 1.00 0.00 C ATOM 584 NH1 ARG 1 41 2.760 -18.823 12.255 1.00 0.00 N ATOM 585 NH2 ARG 1 41 4.525 -18.989 13.753 1.00 0.00 N ATOM 0 H ARG 1 41 7.304 -15.366 8.984 1.00 0.00 H new ATOM 0 HA ARG 1 41 7.917 -17.615 10.562 1.00 0.00 H new ATOM 0 HB2 ARG 1 41 6.023 -17.655 8.199 1.00 0.00 H new ATOM 0 HB3 ARG 1 41 5.887 -18.514 9.721 1.00 0.00 H new ATOM 0 HG2 ARG 1 41 6.000 -15.790 10.470 1.00 0.00 H new ATOM 0 HG3 ARG 1 41 4.996 -15.799 9.033 1.00 0.00 H new ATOM 0 HD2 ARG 1 41 3.514 -16.140 10.914 1.00 0.00 H new ATOM 0 HD3 ARG 1 41 3.630 -17.680 10.084 1.00 0.00 H new ATOM 0 HE ARG 1 41 5.629 -17.338 12.232 1.00 0.00 H new ATOM 0 HH11 ARG 1 41 2.355 -18.426 11.407 1.00 0.00 H new ATOM 0 HH12 ARG 1 41 2.226 -19.492 12.810 1.00 0.00 H new ATOM 0 HH21 ARG 1 41 5.464 -18.718 14.046 1.00 0.00 H new ATOM 0 HH22 ARG 1 41 3.991 -19.658 14.308 1.00 0.00 H new ATOM 599 N ILE 1 42 8.616 -17.788 7.344 1.00 0.00 N ATOM 600 CA ILE 1 42 9.359 -18.531 6.340 1.00 0.00 C ATOM 601 C ILE 1 42 10.494 -17.657 5.803 1.00 0.00 C ATOM 602 O ILE 1 42 10.249 -16.682 5.093 1.00 0.00 O ATOM 603 CB ILE 1 42 8.416 -19.052 5.254 1.00 0.00 C ATOM 604 CG1 ILE 1 42 7.069 -19.468 5.849 1.00 0.00 C ATOM 605 CG2 ILE 1 42 9.067 -20.186 4.461 1.00 0.00 C ATOM 606 CD1 ILE 1 42 6.388 -20.526 4.979 1.00 0.00 C ATOM 0 H ILE 1 42 8.205 -16.916 7.012 1.00 0.00 H new ATOM 0 HA ILE 1 42 9.819 -19.415 6.781 1.00 0.00 H new ATOM 0 HB ILE 1 42 8.221 -18.240 4.554 1.00 0.00 H new ATOM 0 HG12 ILE 1 42 7.218 -19.860 6.855 1.00 0.00 H new ATOM 0 HG13 ILE 1 42 6.422 -18.595 5.939 1.00 0.00 H new ATOM 0 HG21 ILE 1 42 8.376 -20.538 3.696 1.00 0.00 H new ATOM 0 HG22 ILE 1 42 9.978 -19.822 3.987 1.00 0.00 H new ATOM 0 HG23 ILE 1 42 9.312 -21.007 5.135 1.00 0.00 H new ATOM 0 HD11 ILE 1 42 5.433 -20.804 5.425 1.00 0.00 H new ATOM 0 HD12 ILE 1 42 6.219 -20.122 3.981 1.00 0.00 H new ATOM 0 HD13 ILE 1 42 7.026 -21.407 4.911 1.00 0.00 H new ATOM 618 N PRO 1 43 11.743 -18.047 6.170 1.00 0.00 N ATOM 619 CA PRO 1 43 12.917 -17.311 5.733 1.00 0.00 C ATOM 620 C PRO 1 43 13.224 -17.594 4.261 1.00 0.00 C ATOM 621 O PRO 1 43 14.133 -16.996 3.687 1.00 0.00 O ATOM 622 CB PRO 1 43 14.031 -17.754 6.668 1.00 0.00 C ATOM 623 CG PRO 1 43 13.558 -19.057 7.291 1.00 0.00 C ATOM 624 CD PRO 1 43 12.071 -19.197 7.010 1.00 0.00 C ATOM 0 HA PRO 1 43 12.779 -16.231 5.784 1.00 0.00 H new ATOM 0 HB2 PRO 1 43 14.964 -17.898 6.123 1.00 0.00 H new ATOM 0 HB3 PRO 1 43 14.221 -17.001 7.433 1.00 0.00 H new ATOM 0 HG2 PRO 1 43 14.106 -19.901 6.873 1.00 0.00 H new ATOM 0 HG3 PRO 1 43 13.745 -19.056 8.365 1.00 0.00 H new ATOM 0 HD2 PRO 1 43 11.851 -20.135 6.501 1.00 0.00 H new ATOM 0 HD3 PRO 1 43 11.491 -19.192 7.933 1.00 0.00 H new ATOM 632 N GLY 1 44 12.450 -18.507 3.692 1.00 0.00 N ATOM 633 CA GLY 1 44 12.628 -18.877 2.299 1.00 0.00 C ATOM 634 C GLY 1 44 11.693 -18.071 1.394 1.00 0.00 C ATOM 635 O GLY 1 44 11.743 -18.200 0.171 1.00 0.00 O ATOM 0 H GLY 1 44 11.698 -19.001 4.171 1.00 0.00 H new ATOM 0 HA2 GLY 1 44 13.663 -18.706 2.003 1.00 0.00 H new ATOM 0 HA3 GLY 1 44 12.432 -19.942 2.174 1.00 0.00 H new ATOM 639 N VAL 1 45 10.862 -17.258 2.030 1.00 0.00 N ATOM 640 CA VAL 1 45 9.917 -16.432 1.297 1.00 0.00 C ATOM 641 C VAL 1 45 10.185 -14.958 1.613 1.00 0.00 C ATOM 642 O VAL 1 45 11.123 -14.635 2.339 1.00 0.00 O ATOM 643 CB VAL 1 45 8.485 -16.862 1.621 1.00 0.00 C ATOM 644 CG1 VAL 1 45 8.404 -18.374 1.845 1.00 0.00 C ATOM 645 CG2 VAL 1 45 7.944 -16.099 2.831 1.00 0.00 C ATOM 0 H VAL 1 45 10.823 -17.154 3.044 1.00 0.00 H new ATOM 0 HA VAL 1 45 10.046 -16.564 0.223 1.00 0.00 H new ATOM 0 HB VAL 1 45 7.859 -16.616 0.763 1.00 0.00 H new ATOM 0 HG11 VAL 1 45 7.376 -18.653 2.074 1.00 0.00 H new ATOM 0 HG12 VAL 1 45 8.729 -18.893 0.944 1.00 0.00 H new ATOM 0 HG13 VAL 1 45 9.050 -18.654 2.678 1.00 0.00 H new ATOM 0 HG21 VAL 1 45 6.925 -16.424 3.040 1.00 0.00 H new ATOM 0 HG22 VAL 1 45 8.573 -16.299 3.698 1.00 0.00 H new ATOM 0 HG23 VAL 1 45 7.948 -15.030 2.618 1.00 0.00 H new ATOM 655 N PRO 1 46 9.320 -14.082 1.034 1.00 0.00 N ATOM 656 CA PRO 1 46 9.453 -12.650 1.246 1.00 0.00 C ATOM 657 C PRO 1 46 8.973 -12.256 2.644 1.00 0.00 C ATOM 658 O PRO 1 46 7.810 -12.461 2.986 1.00 0.00 O ATOM 659 CB PRO 1 46 8.636 -12.011 0.135 1.00 0.00 C ATOM 660 CG PRO 1 46 7.704 -13.097 -0.375 1.00 0.00 C ATOM 661 CD PRO 1 46 8.198 -14.428 0.167 1.00 0.00 C ATOM 0 HA PRO 1 46 10.489 -12.313 1.205 1.00 0.00 H new ATOM 0 HB2 PRO 1 46 8.072 -11.156 0.507 1.00 0.00 H new ATOM 0 HB3 PRO 1 46 9.282 -11.644 -0.663 1.00 0.00 H new ATOM 0 HG2 PRO 1 46 6.682 -12.907 -0.048 1.00 0.00 H new ATOM 0 HG3 PRO 1 46 7.693 -13.109 -1.465 1.00 0.00 H new ATOM 0 HD2 PRO 1 46 7.415 -14.945 0.721 1.00 0.00 H new ATOM 0 HD3 PRO 1 46 8.510 -15.092 -0.639 1.00 0.00 H new ATOM 669 N TRP 1 47 9.894 -11.696 3.415 1.00 0.00 N ATOM 670 CA TRP 1 47 9.579 -11.270 4.769 1.00 0.00 C ATOM 671 C TRP 1 47 9.125 -9.811 4.711 1.00 0.00 C ATOM 672 O TRP 1 47 9.253 -9.078 5.691 1.00 0.00 O ATOM 673 CB TRP 1 47 10.770 -11.490 5.703 1.00 0.00 C ATOM 674 CG TRP 1 47 11.845 -12.420 5.135 1.00 0.00 C ATOM 675 CD1 TRP 1 47 11.817 -13.757 5.051 1.00 0.00 C ATOM 676 CD2 TRP 1 47 13.113 -12.026 4.571 1.00 0.00 C ATOM 677 NE1 TRP 1 47 12.971 -14.252 4.478 1.00 0.00 N ATOM 678 CE2 TRP 1 47 13.784 -13.165 4.176 1.00 0.00 C ATOM 679 CE3 TRP 1 47 13.674 -10.748 4.400 1.00 0.00 C ATOM 680 CZ2 TRP 1 47 15.052 -13.141 3.585 1.00 0.00 C ATOM 681 CZ3 TRP 1 47 14.943 -10.741 3.809 1.00 0.00 C ATOM 682 CH2 TRP 1 47 15.632 -11.880 3.405 1.00 0.00 C ATOM 0 H TRP 1 47 10.858 -11.527 3.128 1.00 0.00 H new ATOM 0 HA TRP 1 47 8.769 -11.870 5.185 1.00 0.00 H new ATOM 0 HB2 TRP 1 47 11.223 -10.525 5.931 1.00 0.00 H new ATOM 0 HB3 TRP 1 47 10.408 -11.903 6.645 1.00 0.00 H new ATOM 0 HD1 TRP 1 47 10.995 -14.370 5.389 1.00 0.00 H new ATOM 0 HE1 TRP 1 47 13.188 -15.234 4.308 1.00 0.00 H new ATOM 0 HE3 TRP 1 47 13.166 -9.844 4.701 1.00 0.00 H new ATOM 0 HZ2 TRP 1 47 15.556 -14.047 3.284 1.00 0.00 H new ATOM 0 HZ3 TRP 1 47 15.421 -9.784 3.656 1.00 0.00 H new ATOM 0 HH2 TRP 1 47 16.610 -11.792 2.955 1.00 0.00 H new ATOM 693 N CYS 1 48 8.603 -9.431 3.554 1.00 0.00 N ATOM 694 CA CYS 1 48 8.129 -8.071 3.357 1.00 0.00 C ATOM 695 C CYS 1 48 7.337 -8.024 2.049 1.00 0.00 C ATOM 696 O CYS 1 48 7.919 -8.038 0.965 1.00 0.00 O ATOM 697 CB CYS 1 48 9.281 -7.065 3.363 1.00 0.00 C ATOM 698 SG CYS 1 48 8.765 -5.310 3.356 1.00 0.00 S ATOM 0 H CYS 1 48 8.498 -10.041 2.743 1.00 0.00 H new ATOM 0 HA CYS 1 48 7.480 -7.785 4.184 1.00 0.00 H new ATOM 0 HB2 CYS 1 48 9.897 -7.245 4.244 1.00 0.00 H new ATOM 0 HB3 CYS 1 48 9.910 -7.248 2.491 1.00 0.00 H new ATOM 703 N PHE 1 49 6.021 -7.970 2.193 1.00 0.00 N ATOM 704 CA PHE 1 49 5.142 -7.920 1.036 1.00 0.00 C ATOM 705 C PHE 1 49 3.971 -6.966 1.278 1.00 0.00 C ATOM 706 O PHE 1 49 3.951 -6.241 2.272 1.00 0.00 O ATOM 707 CB PHE 1 49 4.598 -9.334 0.827 1.00 0.00 C ATOM 708 CG PHE 1 49 4.515 -10.165 2.110 1.00 0.00 C ATOM 709 CD1 PHE 1 49 5.653 -10.524 2.762 1.00 0.00 C ATOM 710 CD2 PHE 1 49 3.303 -10.544 2.598 1.00 0.00 C ATOM 711 CE1 PHE 1 49 5.575 -11.296 3.953 1.00 0.00 C ATOM 712 CE2 PHE 1 49 3.226 -11.315 3.787 1.00 0.00 C ATOM 713 CZ PHE 1 49 4.364 -11.674 4.440 1.00 0.00 C ATOM 0 H PHE 1 49 5.542 -7.960 3.093 1.00 0.00 H new ATOM 0 HA PHE 1 49 5.692 -7.563 0.165 1.00 0.00 H new ATOM 0 HB2 PHE 1 49 3.604 -9.268 0.384 1.00 0.00 H new ATOM 0 HB3 PHE 1 49 5.233 -9.854 0.110 1.00 0.00 H new ATOM 0 HD1 PHE 1 49 6.615 -10.223 2.375 1.00 0.00 H new ATOM 0 HD2 PHE 1 49 2.399 -10.258 2.080 1.00 0.00 H new ATOM 0 HE1 PHE 1 49 6.478 -11.582 4.471 1.00 0.00 H new ATOM 0 HE2 PHE 1 49 2.264 -11.617 4.173 1.00 0.00 H new ATOM 0 HZ PHE 1 49 4.305 -12.260 5.346 1.00 0.00 H new ATOM 723 N LYS 1 50 3.024 -6.997 0.352 1.00 0.00 N ATOM 724 CA LYS 1 50 1.852 -6.144 0.452 1.00 0.00 C ATOM 725 C LYS 1 50 0.593 -7.013 0.453 1.00 0.00 C ATOM 726 O LYS 1 50 -0.175 -7.002 -0.509 1.00 0.00 O ATOM 727 CB LYS 1 50 1.866 -5.082 -0.649 1.00 0.00 C ATOM 728 CG LYS 1 50 2.006 -5.727 -2.030 1.00 0.00 C ATOM 729 CD LYS 1 50 3.181 -5.122 -2.801 1.00 0.00 C ATOM 730 CE LYS 1 50 4.511 -5.699 -2.315 1.00 0.00 C ATOM 731 NZ LYS 1 50 5.424 -5.932 -3.458 1.00 0.00 N ATOM 0 H LYS 1 50 3.044 -7.599 -0.471 1.00 0.00 H new ATOM 0 HA LYS 1 50 1.861 -5.594 1.393 1.00 0.00 H new ATOM 0 HB2 LYS 1 50 0.947 -4.498 -0.608 1.00 0.00 H new ATOM 0 HB3 LYS 1 50 2.691 -4.390 -0.481 1.00 0.00 H new ATOM 0 HG2 LYS 1 50 2.153 -6.801 -1.920 1.00 0.00 H new ATOM 0 HG3 LYS 1 50 1.085 -5.587 -2.596 1.00 0.00 H new ATOM 0 HD2 LYS 1 50 3.062 -5.320 -3.866 1.00 0.00 H new ATOM 0 HD3 LYS 1 50 3.183 -4.039 -2.677 1.00 0.00 H new ATOM 0 HE2 LYS 1 50 4.974 -5.013 -1.606 1.00 0.00 H new ATOM 0 HE3 LYS 1 50 4.336 -6.635 -1.785 1.00 0.00 H new ATOM 0 HZ1 LYS 1 50 5.882 -6.860 -3.353 1.00 0.00 H new ATOM 0 HZ2 LYS 1 50 4.882 -5.912 -4.345 1.00 0.00 H new ATOM 0 HZ3 LYS 1 50 6.150 -5.188 -3.480 1.00 0.00 H new ATOM 745 N PRO 1 51 0.414 -7.765 1.571 1.00 0.00 N ATOM 746 CA PRO 1 51 -0.739 -8.638 1.709 1.00 0.00 C ATOM 747 C PRO 1 51 -2.005 -7.832 2.008 1.00 0.00 C ATOM 748 O PRO 1 51 -2.562 -7.192 1.117 1.00 0.00 O ATOM 749 CB PRO 1 51 -0.372 -9.602 2.826 1.00 0.00 C ATOM 750 CG PRO 1 51 0.772 -8.946 3.584 1.00 0.00 C ATOM 751 CD PRO 1 51 1.302 -7.805 2.729 1.00 0.00 C ATOM 0 HA PRO 1 51 -0.967 -9.180 0.791 1.00 0.00 H new ATOM 0 HB2 PRO 1 51 -1.223 -9.781 3.483 1.00 0.00 H new ATOM 0 HB3 PRO 1 51 -0.070 -10.569 2.424 1.00 0.00 H new ATOM 0 HG2 PRO 1 51 0.427 -8.573 4.548 1.00 0.00 H new ATOM 0 HG3 PRO 1 51 1.561 -9.670 3.786 1.00 0.00 H new ATOM 0 HD2 PRO 1 51 1.285 -6.861 3.274 1.00 0.00 H new ATOM 0 HD3 PRO 1 51 2.335 -7.981 2.430 1.00 0.00 H new ATOM 759 N LEU 1 52 -2.422 -7.888 3.265 1.00 0.00 N ATOM 760 CA LEU 1 52 -3.611 -7.172 3.692 1.00 0.00 C ATOM 761 C LEU 1 52 -3.228 -5.742 4.077 1.00 0.00 C ATOM 762 O LEU 1 52 -3.843 -5.148 4.961 1.00 0.00 O ATOM 763 CB LEU 1 52 -4.328 -7.937 4.805 1.00 0.00 C ATOM 764 CG LEU 1 52 -3.905 -7.594 6.235 1.00 0.00 C ATOM 765 CD1 LEU 1 52 -5.104 -7.132 7.065 1.00 0.00 C ATOM 766 CD2 LEU 1 52 -3.174 -8.769 6.888 1.00 0.00 C ATOM 0 H LEU 1 52 -1.957 -8.419 4.001 1.00 0.00 H new ATOM 0 HA LEU 1 52 -4.328 -7.102 2.874 1.00 0.00 H new ATOM 0 HB2 LEU 1 52 -5.399 -7.757 4.711 1.00 0.00 H new ATOM 0 HB3 LEU 1 52 -4.169 -9.004 4.646 1.00 0.00 H new ATOM 0 HG LEU 1 52 -3.202 -6.762 6.193 1.00 0.00 H new ATOM 0 HD11 LEU 1 52 -4.776 -6.894 8.077 1.00 0.00 H new ATOM 0 HD12 LEU 1 52 -5.543 -6.245 6.608 1.00 0.00 H new ATOM 0 HD13 LEU 1 52 -5.849 -7.927 7.102 1.00 0.00 H new ATOM 0 HD21 LEU 1 52 -2.885 -8.498 7.903 1.00 0.00 H new ATOM 0 HD22 LEU 1 52 -3.833 -9.637 6.918 1.00 0.00 H new ATOM 0 HD23 LEU 1 52 -2.283 -9.010 6.309 1.00 0.00 H new ATOM 778 N GLN 1 53 -2.215 -5.230 3.394 1.00 0.00 N ATOM 779 CA GLN 1 53 -1.743 -3.881 3.654 1.00 0.00 C ATOM 780 C GLN 1 53 -2.910 -2.892 3.611 1.00 0.00 C ATOM 781 O GLN 1 53 -2.808 -1.782 4.131 1.00 0.00 O ATOM 782 CB GLN 1 53 -0.650 -3.480 2.660 1.00 0.00 C ATOM 783 CG GLN 1 53 0.572 -4.391 2.795 1.00 0.00 C ATOM 784 CD GLN 1 53 1.068 -4.433 4.241 1.00 0.00 C ATOM 785 OE1 GLN 1 53 1.835 -3.596 4.686 1.00 0.00 O ATOM 786 NE2 GLN 1 53 0.588 -5.453 4.947 1.00 0.00 N ATOM 0 H GLN 1 53 -1.708 -5.725 2.661 1.00 0.00 H new ATOM 0 HA GLN 1 53 -1.307 -3.857 4.653 1.00 0.00 H new ATOM 0 HB2 GLN 1 53 -1.039 -3.535 1.643 1.00 0.00 H new ATOM 0 HB3 GLN 1 53 -0.357 -2.444 2.833 1.00 0.00 H new ATOM 0 HG2 GLN 1 53 0.317 -5.398 2.465 1.00 0.00 H new ATOM 0 HG3 GLN 1 53 1.370 -4.034 2.143 1.00 0.00 H new ATOM 0 HE21 GLN 1 53 -0.051 -6.118 4.512 1.00 0.00 H new ATOM 0 HE22 GLN 1 53 0.859 -5.570 5.923 1.00 0.00 H new ATOM 795 N GLU 1 54 -3.994 -3.332 2.987 1.00 0.00 N ATOM 796 CA GLU 1 54 -5.179 -2.499 2.870 1.00 0.00 C ATOM 797 C GLU 1 54 -5.443 -1.763 4.185 1.00 0.00 C ATOM 798 O GLU 1 54 -6.062 -0.700 4.192 1.00 0.00 O ATOM 799 CB GLU 1 54 -6.394 -3.332 2.454 1.00 0.00 C ATOM 800 CG GLU 1 54 -7.085 -3.941 3.676 1.00 0.00 C ATOM 801 CD GLU 1 54 -8.299 -3.106 4.092 1.00 0.00 C ATOM 802 OE1 GLU 1 54 -8.073 -1.968 4.556 1.00 0.00 O ATOM 803 OE2 GLU 1 54 -9.424 -3.627 3.937 1.00 0.00 O ATOM 0 H GLU 1 54 -4.076 -4.254 2.558 1.00 0.00 H new ATOM 0 HA GLU 1 54 -5.003 -1.757 2.091 1.00 0.00 H new ATOM 0 HB2 GLU 1 54 -7.099 -2.706 1.907 1.00 0.00 H new ATOM 0 HB3 GLU 1 54 -6.080 -4.126 1.776 1.00 0.00 H new ATOM 0 HG2 GLU 1 54 -7.400 -4.960 3.450 1.00 0.00 H new ATOM 0 HG3 GLU 1 54 -6.380 -4.002 4.505 1.00 0.00 H new ATOM 810 N ALA 1 55 -4.960 -2.357 5.267 1.00 0.00 N ATOM 811 CA ALA 1 55 -5.136 -1.771 6.584 1.00 0.00 C ATOM 812 C ALA 1 55 -5.003 -0.250 6.483 1.00 0.00 C ATOM 813 O ALA 1 55 -5.977 0.476 6.674 1.00 0.00 O ATOM 814 CB ALA 1 55 -4.121 -2.382 7.554 1.00 0.00 C ATOM 0 H ALA 1 55 -4.447 -3.238 5.258 1.00 0.00 H new ATOM 0 HA ALA 1 55 -6.131 -1.990 6.972 1.00 0.00 H new ATOM 0 HB1 ALA 1 55 -4.253 -1.943 8.543 1.00 0.00 H new ATOM 0 HB2 ALA 1 55 -4.276 -3.459 7.612 1.00 0.00 H new ATOM 0 HB3 ALA 1 55 -3.111 -2.180 7.199 1.00 0.00 H new ATOM 820 N GLU 1 56 -3.788 0.188 6.182 1.00 0.00 N ATOM 821 CA GLU 1 56 -3.516 1.609 6.053 1.00 0.00 C ATOM 822 C GLU 1 56 -2.755 1.887 4.756 1.00 0.00 C ATOM 823 O GLU 1 56 -2.061 2.897 4.644 1.00 0.00 O ATOM 824 CB GLU 1 56 -2.743 2.131 7.266 1.00 0.00 C ATOM 825 CG GLU 1 56 -3.677 2.356 8.457 1.00 0.00 C ATOM 826 CD GLU 1 56 -3.788 3.845 8.792 1.00 0.00 C ATOM 827 OE1 GLU 1 56 -4.028 4.625 7.845 1.00 0.00 O ATOM 828 OE2 GLU 1 56 -3.629 4.170 9.988 1.00 0.00 O ATOM 0 H GLU 1 56 -2.982 -0.417 6.024 1.00 0.00 H new ATOM 0 HA GLU 1 56 -4.467 2.140 6.014 1.00 0.00 H new ATOM 0 HB2 GLU 1 56 -1.965 1.419 7.539 1.00 0.00 H new ATOM 0 HB3 GLU 1 56 -2.244 3.065 7.009 1.00 0.00 H new ATOM 0 HG2 GLU 1 56 -4.665 1.956 8.230 1.00 0.00 H new ATOM 0 HG3 GLU 1 56 -3.304 1.811 9.324 1.00 0.00 H new ATOM 835 N CYS 1 57 -2.911 0.975 3.808 1.00 0.00 N ATOM 836 CA CYS 1 57 -2.247 1.110 2.522 1.00 0.00 C ATOM 837 C CYS 1 57 -3.282 1.566 1.492 1.00 0.00 C ATOM 838 O CYS 1 57 -3.079 2.565 0.804 1.00 0.00 O ATOM 839 CB CYS 1 57 -1.558 -0.190 2.102 1.00 0.00 C ATOM 840 SG CYS 1 57 -0.126 0.027 0.985 1.00 0.00 S ATOM 0 H CYS 1 57 -3.488 0.139 3.904 1.00 0.00 H new ATOM 0 HA CYS 1 57 -1.456 1.856 2.595 1.00 0.00 H new ATOM 0 HB2 CYS 1 57 -1.226 -0.715 2.998 1.00 0.00 H new ATOM 0 HB3 CYS 1 57 -2.290 -0.831 1.611 1.00 0.00 H new ATOM 845 N THR 1 58 -4.369 0.812 1.419 1.00 0.00 N ATOM 846 CA THR 1 58 -5.437 1.126 0.485 1.00 0.00 C ATOM 847 C THR 1 58 -6.144 2.419 0.898 1.00 0.00 C ATOM 848 O THR 1 58 -6.447 3.261 0.055 1.00 0.00 O ATOM 849 CB THR 1 58 -6.373 -0.082 0.414 1.00 0.00 C ATOM 850 OG1 THR 1 58 -7.061 0.086 -0.823 1.00 0.00 O ATOM 851 CG2 THR 1 58 -7.480 -0.028 1.467 1.00 0.00 C ATOM 0 H THR 1 58 -4.533 -0.016 1.992 1.00 0.00 H new ATOM 0 HA THR 1 58 -5.046 1.312 -0.515 1.00 0.00 H new ATOM 0 HB THR 1 58 -5.795 -0.997 0.543 1.00 0.00 H new ATOM 0 HG1 THR 1 58 -7.982 -0.237 -0.732 1.00 0.00 H new ATOM 0 HG21 THR 1 58 -8.115 -0.909 1.372 1.00 0.00 H new ATOM 0 HG22 THR 1 58 -7.035 -0.007 2.462 1.00 0.00 H new ATOM 0 HG23 THR 1 58 -8.080 0.870 1.319 1.00 0.00 H new ATOM 859 N PHE 1 59 -6.385 2.536 2.196 1.00 0.00 N ATOM 860 CA PHE 1 59 -7.050 3.711 2.731 1.00 0.00 C ATOM 861 C PHE 1 59 -6.634 4.971 1.968 1.00 0.00 C ATOM 862 O PHE 1 59 -6.767 6.083 2.479 1.00 0.00 O ATOM 863 CB PHE 1 59 -6.614 3.846 4.191 1.00 0.00 C ATOM 864 CG PHE 1 59 -7.772 4.058 5.169 1.00 0.00 C ATOM 865 CD1 PHE 1 59 -8.701 3.080 5.346 1.00 0.00 C ATOM 866 CD2 PHE 1 59 -7.873 5.225 5.860 1.00 0.00 C ATOM 867 CE1 PHE 1 59 -9.775 3.277 6.253 1.00 0.00 C ATOM 868 CE2 PHE 1 59 -8.947 5.421 6.768 1.00 0.00 C ATOM 869 CZ PHE 1 59 -9.875 4.443 6.945 1.00 0.00 C ATOM 0 H PHE 1 59 -6.131 1.836 2.893 1.00 0.00 H new ATOM 0 HA PHE 1 59 -8.131 3.602 2.638 1.00 0.00 H new ATOM 0 HB2 PHE 1 59 -6.067 2.949 4.481 1.00 0.00 H new ATOM 0 HB3 PHE 1 59 -5.921 4.683 4.277 1.00 0.00 H new ATOM 0 HD1 PHE 1 59 -8.621 2.154 4.796 1.00 0.00 H new ATOM 0 HD2 PHE 1 59 -7.137 6.002 5.718 1.00 0.00 H new ATOM 0 HE1 PHE 1 59 -10.513 2.501 6.393 1.00 0.00 H new ATOM 0 HE2 PHE 1 59 -9.027 6.347 7.318 1.00 0.00 H new ATOM 0 HZ PHE 1 59 -10.692 4.593 7.636 1.00 0.00 H new TER 879 PHE 1 59 ATOM 880 N GLU 2 1 -22.867 0.201 -0.250 1.00 0.00 N ATOM 881 CA GLU 2 1 -21.771 0.047 -1.190 1.00 0.00 C ATOM 882 C GLU 2 1 -21.134 1.405 -1.490 1.00 0.00 C ATOM 883 O GLU 2 1 -21.324 1.958 -2.572 1.00 0.00 O ATOM 884 CB GLU 2 1 -22.243 -0.633 -2.477 1.00 0.00 C ATOM 885 CG GLU 2 1 -22.273 -2.154 -2.314 1.00 0.00 C ATOM 886 CD GLU 2 1 -22.919 -2.823 -3.529 1.00 0.00 C ATOM 887 OE1 GLU 2 1 -22.870 -2.202 -4.612 1.00 0.00 O ATOM 888 OE2 GLU 2 1 -23.448 -3.941 -3.346 1.00 0.00 O ATOM 0 H1 GLU 2 1 -23.290 -0.729 -0.055 1.00 0.00 H new ATOM 0 H2 GLU 2 1 -22.509 0.611 0.636 1.00 0.00 H new ATOM 0 H3 GLU 2 1 -23.587 0.831 -0.657 1.00 0.00 H new ATOM 0 HA GLU 2 1 -21.016 -0.594 -0.735 1.00 0.00 H new ATOM 0 HB2 GLU 2 1 -23.237 -0.272 -2.740 1.00 0.00 H new ATOM 0 HB3 GLU 2 1 -21.579 -0.365 -3.299 1.00 0.00 H new ATOM 0 HG2 GLU 2 1 -21.258 -2.530 -2.184 1.00 0.00 H new ATOM 0 HG3 GLU 2 1 -22.827 -2.416 -1.413 1.00 0.00 H new ATOM 895 N GLU 2 2 -20.390 1.903 -0.513 1.00 0.00 N ATOM 896 CA GLU 2 2 -19.724 3.186 -0.659 1.00 0.00 C ATOM 897 C GLU 2 2 -18.326 2.994 -1.248 1.00 0.00 C ATOM 898 O GLU 2 2 -17.325 3.157 -0.550 1.00 0.00 O ATOM 899 CB GLU 2 2 -19.658 3.925 0.679 1.00 0.00 C ATOM 900 CG GLU 2 2 -21.053 4.357 1.136 1.00 0.00 C ATOM 901 CD GLU 2 2 -20.981 5.142 2.448 1.00 0.00 C ATOM 902 OE1 GLU 2 2 -20.654 6.346 2.371 1.00 0.00 O ATOM 903 OE2 GLU 2 2 -21.256 4.522 3.497 1.00 0.00 O ATOM 0 H GLU 2 2 -20.234 1.441 0.383 1.00 0.00 H new ATOM 0 HA GLU 2 2 -20.306 3.799 -1.347 1.00 0.00 H new ATOM 0 HB2 GLU 2 2 -19.208 3.279 1.433 1.00 0.00 H new ATOM 0 HB3 GLU 2 2 -19.015 4.800 0.584 1.00 0.00 H new ATOM 0 HG2 GLU 2 2 -21.518 4.972 0.365 1.00 0.00 H new ATOM 0 HG3 GLU 2 2 -21.685 3.479 1.268 1.00 0.00 H new ATOM 910 N TYR 2 3 -18.300 2.649 -2.527 1.00 0.00 N ATOM 911 CA TYR 2 3 -17.040 2.433 -3.218 1.00 0.00 C ATOM 912 C TYR 2 3 -16.540 3.727 -3.865 1.00 0.00 C ATOM 913 O TYR 2 3 -16.426 3.811 -5.087 1.00 0.00 O ATOM 914 CB TYR 2 3 -17.332 1.408 -4.317 1.00 0.00 C ATOM 915 CG TYR 2 3 -18.716 1.556 -4.953 1.00 0.00 C ATOM 916 CD1 TYR 2 3 -19.176 2.804 -5.323 1.00 0.00 C ATOM 917 CD2 TYR 2 3 -19.504 0.441 -5.158 1.00 0.00 C ATOM 918 CE1 TYR 2 3 -20.477 2.942 -5.922 1.00 0.00 C ATOM 919 CE2 TYR 2 3 -20.805 0.580 -5.758 1.00 0.00 C ATOM 920 CZ TYR 2 3 -21.228 1.823 -6.110 1.00 0.00 C ATOM 921 OH TYR 2 3 -22.458 1.954 -6.675 1.00 0.00 O ATOM 0 H TYR 2 3 -19.131 2.514 -3.103 1.00 0.00 H new ATOM 0 HA TYR 2 3 -16.274 2.093 -2.521 1.00 0.00 H new ATOM 0 HB2 TYR 2 3 -16.574 1.499 -5.095 1.00 0.00 H new ATOM 0 HB3 TYR 2 3 -17.241 0.406 -3.899 1.00 0.00 H new ATOM 0 HD1 TYR 2 3 -18.560 3.676 -5.163 1.00 0.00 H new ATOM 0 HD2 TYR 2 3 -19.144 -0.535 -4.868 1.00 0.00 H new ATOM 0 HE1 TYR 2 3 -20.849 3.912 -6.216 1.00 0.00 H new ATOM 0 HE2 TYR 2 3 -21.431 -0.284 -5.925 1.00 0.00 H new ATOM 0 HH TYR 2 3 -22.880 1.072 -6.749 1.00 0.00 H new ATOM 931 N VAL 2 4 -16.255 4.703 -3.016 1.00 0.00 N ATOM 932 CA VAL 2 4 -15.770 5.988 -3.489 1.00 0.00 C ATOM 933 C VAL 2 4 -14.404 6.274 -2.863 1.00 0.00 C ATOM 934 O VAL 2 4 -13.426 6.502 -3.574 1.00 0.00 O ATOM 935 CB VAL 2 4 -16.802 7.078 -3.194 1.00 0.00 C ATOM 936 CG1 VAL 2 4 -17.668 7.361 -4.424 1.00 0.00 C ATOM 937 CG2 VAL 2 4 -17.668 6.702 -1.990 1.00 0.00 C ATOM 0 H VAL 2 4 -16.351 4.630 -2.003 1.00 0.00 H new ATOM 0 HA VAL 2 4 -15.635 5.971 -4.571 1.00 0.00 H new ATOM 0 HB VAL 2 4 -16.262 7.992 -2.946 1.00 0.00 H new ATOM 0 HG11 VAL 2 4 -18.393 8.140 -4.187 1.00 0.00 H new ATOM 0 HG12 VAL 2 4 -17.034 7.693 -5.246 1.00 0.00 H new ATOM 0 HG13 VAL 2 4 -18.194 6.452 -4.716 1.00 0.00 H new ATOM 0 HG21 VAL 2 4 -18.393 7.494 -1.802 1.00 0.00 H new ATOM 0 HG22 VAL 2 4 -18.194 5.770 -2.197 1.00 0.00 H new ATOM 0 HG23 VAL 2 4 -17.035 6.574 -1.112 1.00 0.00 H new ATOM 947 N GLY 2 5 -14.379 6.254 -1.538 1.00 0.00 N ATOM 948 CA GLY 2 5 -13.149 6.509 -0.808 1.00 0.00 C ATOM 949 C GLY 2 5 -12.164 5.350 -0.973 1.00 0.00 C ATOM 950 O GLY 2 5 -11.108 5.335 -0.344 1.00 0.00 O ATOM 0 H GLY 2 5 -15.192 6.065 -0.951 1.00 0.00 H new ATOM 0 HA2 GLY 2 5 -12.694 7.432 -1.167 1.00 0.00 H new ATOM 0 HA3 GLY 2 5 -13.372 6.654 0.249 1.00 0.00 H new ATOM 954 N LEU 2 6 -12.545 4.408 -1.823 1.00 0.00 N ATOM 955 CA LEU 2 6 -11.709 3.248 -2.078 1.00 0.00 C ATOM 956 C LEU 2 6 -11.842 2.842 -3.548 1.00 0.00 C ATOM 957 O LEU 2 6 -11.632 1.681 -3.896 1.00 0.00 O ATOM 958 CB LEU 2 6 -12.039 2.122 -1.097 1.00 0.00 C ATOM 959 CG LEU 2 6 -13.495 1.651 -1.082 1.00 0.00 C ATOM 960 CD1 LEU 2 6 -14.436 2.792 -0.691 1.00 0.00 C ATOM 961 CD2 LEU 2 6 -13.882 1.023 -2.422 1.00 0.00 C ATOM 0 H LEU 2 6 -13.422 4.425 -2.344 1.00 0.00 H new ATOM 0 HA LEU 2 6 -10.660 3.490 -1.907 1.00 0.00 H new ATOM 0 HB2 LEU 2 6 -11.404 1.267 -1.329 1.00 0.00 H new ATOM 0 HB3 LEU 2 6 -11.774 2.453 -0.093 1.00 0.00 H new ATOM 0 HG LEU 2 6 -13.595 0.876 -0.322 1.00 0.00 H new ATOM 0 HD11 LEU 2 6 -15.464 2.431 -0.688 1.00 0.00 H new ATOM 0 HD12 LEU 2 6 -14.176 3.154 0.304 1.00 0.00 H new ATOM 0 HD13 LEU 2 6 -14.339 3.606 -1.410 1.00 0.00 H new ATOM 0 HD21 LEU 2 6 -14.921 0.697 -2.384 1.00 0.00 H new ATOM 0 HD22 LEU 2 6 -13.761 1.759 -3.217 1.00 0.00 H new ATOM 0 HD23 LEU 2 6 -13.240 0.165 -2.621 1.00 0.00 H new ATOM 973 N SER 2 7 -12.190 3.821 -4.370 1.00 0.00 N ATOM 974 CA SER 2 7 -12.354 3.580 -5.793 1.00 0.00 C ATOM 975 C SER 2 7 -11.116 4.060 -6.551 1.00 0.00 C ATOM 976 O SER 2 7 -10.242 4.706 -5.974 1.00 0.00 O ATOM 977 CB SER 2 7 -13.607 4.275 -6.329 1.00 0.00 C ATOM 978 OG SER 2 7 -14.303 3.468 -7.274 1.00 0.00 O ATOM 0 H SER 2 7 -12.363 4.783 -4.077 1.00 0.00 H new ATOM 0 HA SER 2 7 -12.473 2.507 -5.946 1.00 0.00 H new ATOM 0 HB2 SER 2 7 -14.271 4.515 -5.499 1.00 0.00 H new ATOM 0 HB3 SER 2 7 -13.326 5.219 -6.796 1.00 0.00 H new ATOM 0 HG SER 2 7 -15.206 3.281 -6.942 1.00 0.00 H new ATOM 984 N ALA 2 8 -11.078 3.725 -7.832 1.00 0.00 N ATOM 985 CA ALA 2 8 -9.961 4.114 -8.676 1.00 0.00 C ATOM 986 C ALA 2 8 -10.035 5.617 -8.952 1.00 0.00 C ATOM 987 O ALA 2 8 -9.142 6.181 -9.585 1.00 0.00 O ATOM 988 CB ALA 2 8 -9.976 3.284 -9.960 1.00 0.00 C ATOM 0 H ALA 2 8 -11.804 3.188 -8.307 1.00 0.00 H new ATOM 0 HA ALA 2 8 -9.014 3.917 -8.173 1.00 0.00 H new ATOM 0 HB1 ALA 2 8 -9.138 3.577 -10.592 1.00 0.00 H new ATOM 0 HB2 ALA 2 8 -9.890 2.226 -9.711 1.00 0.00 H new ATOM 0 HB3 ALA 2 8 -10.911 3.456 -10.494 1.00 0.00 H new ATOM 994 N ASN 2 9 -11.108 6.224 -8.466 1.00 0.00 N ATOM 995 CA ASN 2 9 -11.310 7.651 -8.653 1.00 0.00 C ATOM 996 C ASN 2 9 -10.819 8.398 -7.412 1.00 0.00 C ATOM 997 O ASN 2 9 -10.780 9.628 -7.398 1.00 0.00 O ATOM 998 CB ASN 2 9 -12.793 7.976 -8.845 1.00 0.00 C ATOM 999 CG ASN 2 9 -13.022 8.740 -10.151 1.00 0.00 C ATOM 1000 OD1 ASN 2 9 -12.484 9.956 -10.167 1.00 0.00 O flip ATOM 1001 ND2 ASN 2 9 -13.646 8.258 -11.082 1.00 0.00 N flip ATOM 0 H ASN 2 9 -11.847 5.754 -7.943 1.00 0.00 H new ATOM 0 HA ASN 2 9 -10.756 7.957 -9.540 1.00 0.00 H new ATOM 0 HB2 ASN 2 9 -13.373 7.053 -8.853 1.00 0.00 H new ATOM 0 HB3 ASN 2 9 -13.151 8.570 -8.004 1.00 0.00 H new ATOM 0 HD21 ASN 2 9 -14.033 7.318 -11.004 1.00 0.00 H new ATOM 0 HD22 ASN 2 9 -13.780 8.795 -11.938 1.00 0.00 H new ATOM 1008 N GLN 2 10 -10.457 7.624 -6.399 1.00 0.00 N ATOM 1009 CA GLN 2 10 -9.970 8.198 -5.156 1.00 0.00 C ATOM 1010 C GLN 2 10 -8.622 8.887 -5.382 1.00 0.00 C ATOM 1011 O GLN 2 10 -8.330 9.905 -4.756 1.00 0.00 O ATOM 1012 CB GLN 2 10 -9.865 7.132 -4.064 1.00 0.00 C ATOM 1013 CG GLN 2 10 -10.580 7.581 -2.788 1.00 0.00 C ATOM 1014 CD GLN 2 10 -9.619 7.598 -1.598 1.00 0.00 C ATOM 1015 OE1 GLN 2 10 -8.801 6.551 -1.548 1.00 0.00 O flip ATOM 1016 NE2 GLN 2 10 -9.620 8.503 -0.779 1.00 0.00 N flip ATOM 0 H GLN 2 10 -10.491 6.605 -6.414 1.00 0.00 H new ATOM 0 HA GLN 2 10 -10.687 8.947 -4.819 1.00 0.00 H new ATOM 0 HB2 GLN 2 10 -10.300 6.198 -4.420 1.00 0.00 H new ATOM 0 HB3 GLN 2 10 -8.816 6.932 -3.846 1.00 0.00 H new ATOM 0 HG2 GLN 2 10 -11.001 8.576 -2.934 1.00 0.00 H new ATOM 0 HG3 GLN 2 10 -11.413 6.910 -2.578 1.00 0.00 H new ATOM 0 HE21 GLN 2 10 -10.275 9.278 -0.877 1.00 0.00 H new ATOM 0 HE22 GLN 2 10 -8.965 8.484 0.003 1.00 0.00 H new ATOM 1025 N CYS 2 11 -7.838 8.304 -6.277 1.00 0.00 N ATOM 1026 CA CYS 2 11 -6.530 8.849 -6.592 1.00 0.00 C ATOM 1027 C CYS 2 11 -6.724 10.111 -7.436 1.00 0.00 C ATOM 1028 O CYS 2 11 -5.754 10.760 -7.822 1.00 0.00 O ATOM 1029 CB CYS 2 11 -5.643 7.822 -7.299 1.00 0.00 C ATOM 1030 SG CYS 2 11 -3.993 8.439 -7.791 1.00 0.00 S ATOM 0 H CYS 2 11 -8.084 7.460 -6.794 1.00 0.00 H new ATOM 0 HA CYS 2 11 -6.011 9.106 -5.669 1.00 0.00 H new ATOM 0 HB2 CYS 2 11 -5.512 6.963 -6.642 1.00 0.00 H new ATOM 0 HB3 CYS 2 11 -6.162 7.466 -8.189 1.00 0.00 H new ATOM 1035 N ALA 2 12 -7.986 10.419 -7.698 1.00 0.00 N ATOM 1036 CA ALA 2 12 -8.321 11.591 -8.489 1.00 0.00 C ATOM 1037 C ALA 2 12 -8.931 12.659 -7.579 1.00 0.00 C ATOM 1038 O ALA 2 12 -9.460 13.660 -8.057 1.00 0.00 O ATOM 1039 CB ALA 2 12 -9.263 11.187 -9.626 1.00 0.00 C ATOM 0 H ALA 2 12 -8.788 9.877 -7.377 1.00 0.00 H new ATOM 0 HA ALA 2 12 -7.426 12.017 -8.942 1.00 0.00 H new ATOM 0 HB1 ALA 2 12 -9.515 12.066 -10.220 1.00 0.00 H new ATOM 0 HB2 ALA 2 12 -8.772 10.449 -10.260 1.00 0.00 H new ATOM 0 HB3 ALA 2 12 -10.174 10.758 -9.209 1.00 0.00 H new ATOM 1045 N VAL 2 13 -8.835 12.409 -6.280 1.00 0.00 N ATOM 1046 CA VAL 2 13 -9.370 13.337 -5.299 1.00 0.00 C ATOM 1047 C VAL 2 13 -9.121 14.770 -5.770 1.00 0.00 C ATOM 1048 O VAL 2 13 -8.164 15.032 -6.495 1.00 0.00 O ATOM 1049 CB VAL 2 13 -8.768 13.047 -3.922 1.00 0.00 C ATOM 1050 CG1 VAL 2 13 -8.528 14.342 -3.145 1.00 0.00 C ATOM 1051 CG2 VAL 2 13 -9.654 12.086 -3.127 1.00 0.00 C ATOM 0 H VAL 2 13 -8.395 11.578 -5.886 1.00 0.00 H new ATOM 0 HA VAL 2 13 -10.448 13.210 -5.201 1.00 0.00 H new ATOM 0 HB VAL 2 13 -7.803 12.564 -4.074 1.00 0.00 H new ATOM 0 HG11 VAL 2 13 -8.100 14.108 -2.170 1.00 0.00 H new ATOM 0 HG12 VAL 2 13 -7.838 14.977 -3.701 1.00 0.00 H new ATOM 0 HG13 VAL 2 13 -9.474 14.866 -3.009 1.00 0.00 H new ATOM 0 HG21 VAL 2 13 -9.203 11.897 -2.153 1.00 0.00 H new ATOM 0 HG22 VAL 2 13 -10.640 12.529 -2.990 1.00 0.00 H new ATOM 0 HG23 VAL 2 13 -9.751 11.146 -3.671 1.00 0.00 H new ATOM 1061 N PRO 2 14 -10.024 15.686 -5.325 1.00 0.00 N ATOM 1062 CA PRO 2 14 -9.912 17.087 -5.693 1.00 0.00 C ATOM 1063 C PRO 2 14 -8.784 17.770 -4.917 1.00 0.00 C ATOM 1064 O PRO 2 14 -8.921 18.920 -4.500 1.00 0.00 O ATOM 1065 CB PRO 2 14 -11.280 17.681 -5.401 1.00 0.00 C ATOM 1066 CG PRO 2 14 -11.962 16.710 -4.451 1.00 0.00 C ATOM 1067 CD PRO 2 14 -11.171 15.412 -4.464 1.00 0.00 C ATOM 0 HA PRO 2 14 -9.648 17.227 -6.741 1.00 0.00 H new ATOM 0 HB2 PRO 2 14 -11.189 18.669 -4.950 1.00 0.00 H new ATOM 0 HB3 PRO 2 14 -11.857 17.801 -6.318 1.00 0.00 H new ATOM 0 HG2 PRO 2 14 -11.999 17.124 -3.443 1.00 0.00 H new ATOM 0 HG3 PRO 2 14 -12.992 16.533 -4.761 1.00 0.00 H new ATOM 0 HD2 PRO 2 14 -10.854 15.131 -3.460 1.00 0.00 H new ATOM 0 HD3 PRO 2 14 -11.769 14.587 -4.852 1.00 0.00 H new ATOM 1075 N ALA 2 15 -7.697 17.033 -4.744 1.00 0.00 N ATOM 1076 CA ALA 2 15 -6.547 17.554 -4.025 1.00 0.00 C ATOM 1077 C ALA 2 15 -7.017 18.200 -2.720 1.00 0.00 C ATOM 1078 O ALA 2 15 -6.899 19.412 -2.546 1.00 0.00 O ATOM 1079 CB ALA 2 15 -5.785 18.533 -4.919 1.00 0.00 C ATOM 0 H ALA 2 15 -7.588 16.079 -5.089 1.00 0.00 H new ATOM 0 HA ALA 2 15 -5.860 16.749 -3.766 1.00 0.00 H new ATOM 0 HB1 ALA 2 15 -4.923 18.923 -4.379 1.00 0.00 H new ATOM 0 HB2 ALA 2 15 -5.447 18.017 -5.818 1.00 0.00 H new ATOM 0 HB3 ALA 2 15 -6.441 19.357 -5.198 1.00 0.00 H new ATOM 1085 N LYS 2 16 -7.540 17.363 -1.836 1.00 0.00 N ATOM 1086 CA LYS 2 16 -8.028 17.838 -0.552 1.00 0.00 C ATOM 1087 C LYS 2 16 -8.912 16.762 0.081 1.00 0.00 C ATOM 1088 O LYS 2 16 -9.976 17.065 0.620 1.00 0.00 O ATOM 1089 CB LYS 2 16 -8.725 19.190 -0.712 1.00 0.00 C ATOM 1090 CG LYS 2 16 -9.567 19.227 -1.990 1.00 0.00 C ATOM 1091 CD LYS 2 16 -11.027 19.559 -1.676 1.00 0.00 C ATOM 1092 CE LYS 2 16 -11.799 18.304 -1.268 1.00 0.00 C ATOM 1093 NZ LYS 2 16 -12.088 18.322 0.185 1.00 0.00 N ATOM 0 H LYS 2 16 -7.637 16.358 -1.984 1.00 0.00 H new ATOM 0 HA LYS 2 16 -7.197 18.012 0.132 1.00 0.00 H new ATOM 0 HB2 LYS 2 16 -9.362 19.379 0.152 1.00 0.00 H new ATOM 0 HB3 LYS 2 16 -7.980 19.986 -0.740 1.00 0.00 H new ATOM 0 HG2 LYS 2 16 -9.161 19.970 -2.676 1.00 0.00 H new ATOM 0 HG3 LYS 2 16 -9.510 18.263 -2.495 1.00 0.00 H new ATOM 0 HD2 LYS 2 16 -11.072 20.295 -0.873 1.00 0.00 H new ATOM 0 HD3 LYS 2 16 -11.497 20.011 -2.549 1.00 0.00 H new ATOM 0 HE2 LYS 2 16 -12.731 18.245 -1.830 1.00 0.00 H new ATOM 0 HE3 LYS 2 16 -11.219 17.416 -1.518 1.00 0.00 H new ATOM 0 HZ1 LYS 2 16 -12.907 17.712 0.384 1.00 0.00 H new ATOM 0 HZ2 LYS 2 16 -11.260 17.971 0.708 1.00 0.00 H new ATOM 0 HZ3 LYS 2 16 -12.300 19.295 0.485 1.00 0.00 H new ATOM 1107 N ASP 2 17 -8.439 15.527 -0.003 1.00 0.00 N ATOM 1108 CA ASP 2 17 -9.172 14.404 0.556 1.00 0.00 C ATOM 1109 C ASP 2 17 -8.225 13.214 0.723 1.00 0.00 C ATOM 1110 O ASP 2 17 -8.668 12.097 0.986 1.00 0.00 O ATOM 1111 CB ASP 2 17 -10.313 13.976 -0.370 1.00 0.00 C ATOM 1112 CG ASP 2 17 -11.478 13.268 0.324 1.00 0.00 C ATOM 1113 OD1 ASP 2 17 -11.371 13.072 1.554 1.00 0.00 O ATOM 1114 OD2 ASP 2 17 -12.450 12.940 -0.390 1.00 0.00 O ATOM 0 H ASP 2 17 -7.556 15.279 -0.450 1.00 0.00 H new ATOM 0 HA ASP 2 17 -9.584 14.714 1.516 1.00 0.00 H new ATOM 0 HB2 ASP 2 17 -10.697 14.859 -0.881 1.00 0.00 H new ATOM 0 HB3 ASP 2 17 -9.910 13.314 -1.136 1.00 0.00 H new ATOM 1119 N ARG 2 18 -6.941 13.495 0.567 1.00 0.00 N ATOM 1120 CA ARG 2 18 -5.927 12.462 0.697 1.00 0.00 C ATOM 1121 C ARG 2 18 -5.410 12.404 2.136 1.00 0.00 C ATOM 1122 O ARG 2 18 -5.805 13.214 2.974 1.00 0.00 O ATOM 1123 CB ARG 2 18 -4.753 12.719 -0.250 1.00 0.00 C ATOM 1124 CG ARG 2 18 -5.247 13.023 -1.666 1.00 0.00 C ATOM 1125 CD ARG 2 18 -4.540 14.250 -2.241 1.00 0.00 C ATOM 1126 NE ARG 2 18 -5.019 14.512 -3.617 1.00 0.00 N ATOM 1127 CZ ARG 2 18 -4.279 15.089 -4.574 1.00 0.00 C ATOM 1128 NH1 ARG 2 18 -3.021 15.467 -4.311 1.00 0.00 N ATOM 1129 NH2 ARG 2 18 -4.797 15.288 -5.794 1.00 0.00 N ATOM 0 H ARG 2 18 -6.578 14.424 0.352 1.00 0.00 H new ATOM 0 HA ARG 2 18 -6.388 11.510 0.434 1.00 0.00 H new ATOM 0 HB2 ARG 2 18 -4.160 13.555 0.119 1.00 0.00 H new ATOM 0 HB3 ARG 2 18 -4.099 11.847 -0.269 1.00 0.00 H new ATOM 0 HG2 ARG 2 18 -5.069 12.162 -2.310 1.00 0.00 H new ATOM 0 HG3 ARG 2 18 -6.324 13.193 -1.651 1.00 0.00 H new ATOM 0 HD2 ARG 2 18 -4.729 15.118 -1.610 1.00 0.00 H new ATOM 0 HD3 ARG 2 18 -3.462 14.089 -2.247 1.00 0.00 H new ATOM 0 HE ARG 2 18 -5.972 14.236 -3.852 1.00 0.00 H new ATOM 0 HH11 ARG 2 18 -2.627 15.316 -3.383 1.00 0.00 H new ATOM 0 HH12 ARG 2 18 -2.458 15.906 -5.039 1.00 0.00 H new ATOM 0 HH21 ARG 2 18 -5.755 15.000 -5.995 1.00 0.00 H new ATOM 0 HH22 ARG 2 18 -4.233 15.727 -6.522 1.00 0.00 H new ATOM 1143 N VAL 2 19 -4.533 11.441 2.378 1.00 0.00 N ATOM 1144 CA VAL 2 19 -3.957 11.268 3.700 1.00 0.00 C ATOM 1145 C VAL 2 19 -2.490 11.702 3.675 1.00 0.00 C ATOM 1146 O VAL 2 19 -1.715 11.333 4.555 1.00 0.00 O ATOM 1147 CB VAL 2 19 -4.145 9.824 4.168 1.00 0.00 C ATOM 1148 CG1 VAL 2 19 -3.615 9.634 5.591 1.00 0.00 C ATOM 1149 CG2 VAL 2 19 -5.612 9.402 4.069 1.00 0.00 C ATOM 0 H VAL 2 19 -4.207 10.772 1.680 1.00 0.00 H new ATOM 0 HA VAL 2 19 -4.470 11.900 4.425 1.00 0.00 H new ATOM 0 HB VAL 2 19 -3.565 9.180 3.506 1.00 0.00 H new ATOM 0 HG11 VAL 2 19 -3.761 8.599 5.899 1.00 0.00 H new ATOM 0 HG12 VAL 2 19 -2.552 9.874 5.618 1.00 0.00 H new ATOM 0 HG13 VAL 2 19 -4.154 10.294 6.271 1.00 0.00 H new ATOM 0 HG21 VAL 2 19 -5.718 8.371 4.408 1.00 0.00 H new ATOM 0 HG22 VAL 2 19 -6.221 10.054 4.695 1.00 0.00 H new ATOM 0 HG23 VAL 2 19 -5.944 9.479 3.034 1.00 0.00 H new ATOM 1159 N ASP 2 20 -2.154 12.479 2.655 1.00 0.00 N ATOM 1160 CA ASP 2 20 -0.794 12.968 2.503 1.00 0.00 C ATOM 1161 C ASP 2 20 0.184 11.907 3.013 1.00 0.00 C ATOM 1162 O ASP 2 20 0.543 11.903 4.189 1.00 0.00 O ATOM 1163 CB ASP 2 20 -0.573 14.245 3.315 1.00 0.00 C ATOM 1164 CG ASP 2 20 0.874 14.496 3.744 1.00 0.00 C ATOM 1165 OD1 ASP 2 20 1.754 14.386 2.864 1.00 0.00 O ATOM 1166 OD2 ASP 2 20 1.068 14.792 4.944 1.00 0.00 O ATOM 0 H ASP 2 20 -2.800 12.782 1.926 1.00 0.00 H new ATOM 0 HA ASP 2 20 -0.628 13.180 1.447 1.00 0.00 H new ATOM 0 HB2 ASP 2 20 -0.914 15.096 2.726 1.00 0.00 H new ATOM 0 HB3 ASP 2 20 -1.199 14.203 4.207 1.00 0.00 H new ATOM 1171 N CYS 2 21 0.587 11.033 2.102 1.00 0.00 N ATOM 1172 CA CYS 2 21 1.517 9.970 2.445 1.00 0.00 C ATOM 1173 C CYS 2 21 2.761 10.604 3.070 1.00 0.00 C ATOM 1174 O CYS 2 21 3.385 10.016 3.952 1.00 0.00 O ATOM 1175 CB CYS 2 21 1.864 9.108 1.230 1.00 0.00 C ATOM 1176 SG CYS 2 21 1.689 7.306 1.492 1.00 0.00 S ATOM 0 H CYS 2 21 0.287 11.039 1.127 1.00 0.00 H new ATOM 0 HA CYS 2 21 1.053 9.296 3.165 1.00 0.00 H new ATOM 0 HB2 CYS 2 21 1.225 9.404 0.398 1.00 0.00 H new ATOM 0 HB3 CYS 2 21 2.891 9.320 0.934 1.00 0.00 H new ATOM 1181 N GLY 2 22 3.087 11.794 2.588 1.00 0.00 N ATOM 1182 CA GLY 2 22 4.246 12.514 3.087 1.00 0.00 C ATOM 1183 C GLY 2 22 5.506 11.651 2.999 1.00 0.00 C ATOM 1184 O GLY 2 22 6.176 11.420 4.005 1.00 0.00 O ATOM 0 H GLY 2 22 2.568 12.278 1.856 1.00 0.00 H new ATOM 0 HA2 GLY 2 22 4.386 13.429 2.511 1.00 0.00 H new ATOM 0 HA3 GLY 2 22 4.076 12.812 4.122 1.00 0.00 H new ATOM 1188 N TYR 2 23 5.792 11.200 1.786 1.00 0.00 N ATOM 1189 CA TYR 2 23 6.961 10.369 1.553 1.00 0.00 C ATOM 1190 C TYR 2 23 8.180 11.223 1.204 1.00 0.00 C ATOM 1191 O TYR 2 23 8.061 12.219 0.493 1.00 0.00 O ATOM 1192 CB TYR 2 23 6.614 9.481 0.356 1.00 0.00 C ATOM 1193 CG TYR 2 23 7.050 8.023 0.516 1.00 0.00 C ATOM 1194 CD1 TYR 2 23 6.862 7.375 1.720 1.00 0.00 C ATOM 1195 CD2 TYR 2 23 7.629 7.356 -0.544 1.00 0.00 C ATOM 1196 CE1 TYR 2 23 7.271 6.003 1.871 1.00 0.00 C ATOM 1197 CE2 TYR 2 23 8.038 5.984 -0.393 1.00 0.00 C ATOM 1198 CZ TYR 2 23 7.840 5.375 0.806 1.00 0.00 C ATOM 1199 OH TYR 2 23 8.227 4.079 0.948 1.00 0.00 O ATOM 0 H TYR 2 23 5.234 11.394 0.954 1.00 0.00 H new ATOM 0 HA TYR 2 23 7.206 9.792 2.445 1.00 0.00 H new ATOM 0 HB2 TYR 2 23 5.537 9.512 0.194 1.00 0.00 H new ATOM 0 HB3 TYR 2 23 7.082 9.894 -0.537 1.00 0.00 H new ATOM 0 HD1 TYR 2 23 6.408 7.897 2.549 1.00 0.00 H new ATOM 0 HD2 TYR 2 23 7.775 7.863 -1.486 1.00 0.00 H new ATOM 0 HE1 TYR 2 23 7.130 5.484 2.808 1.00 0.00 H new ATOM 0 HE2 TYR 2 23 8.492 5.450 -1.215 1.00 0.00 H new ATOM 0 HH TYR 2 23 7.646 3.634 1.600 1.00 0.00 H new ATOM 1209 N PRO 2 24 9.355 10.791 1.734 1.00 0.00 N ATOM 1210 CA PRO 2 24 10.596 11.505 1.486 1.00 0.00 C ATOM 1211 C PRO 2 24 11.103 11.246 0.066 1.00 0.00 C ATOM 1212 O PRO 2 24 12.058 11.880 -0.381 1.00 0.00 O ATOM 1213 CB PRO 2 24 11.555 11.012 2.558 1.00 0.00 C ATOM 1214 CG PRO 2 24 10.969 9.708 3.074 1.00 0.00 C ATOM 1215 CD PRO 2 24 9.533 9.615 2.582 1.00 0.00 C ATOM 0 HA PRO 2 24 10.477 12.587 1.544 1.00 0.00 H new ATOM 0 HB2 PRO 2 24 12.553 10.856 2.148 1.00 0.00 H new ATOM 0 HB3 PRO 2 24 11.651 11.742 3.362 1.00 0.00 H new ATOM 0 HG2 PRO 2 24 11.551 8.859 2.715 1.00 0.00 H new ATOM 0 HG3 PRO 2 24 11.002 9.679 4.163 1.00 0.00 H new ATOM 0 HD2 PRO 2 24 9.365 8.695 2.023 1.00 0.00 H new ATOM 0 HD3 PRO 2 24 8.829 9.616 3.414 1.00 0.00 H new ATOM 1223 N HIS 2 25 10.440 10.315 -0.605 1.00 0.00 N ATOM 1224 CA HIS 2 25 10.811 9.966 -1.965 1.00 0.00 C ATOM 1225 C HIS 2 25 9.585 10.070 -2.874 1.00 0.00 C ATOM 1226 O HIS 2 25 9.460 9.323 -3.843 1.00 0.00 O ATOM 1227 CB HIS 2 25 11.467 8.584 -2.011 1.00 0.00 C ATOM 1228 CG HIS 2 25 12.964 8.621 -2.205 1.00 0.00 C ATOM 1229 ND1 HIS 2 25 13.693 7.524 -2.627 1.00 0.00 N ATOM 1230 CD2 HIS 2 25 13.860 9.636 -2.033 1.00 0.00 C ATOM 1231 CE1 HIS 2 25 14.970 7.871 -2.700 1.00 0.00 C ATOM 1232 NE2 HIS 2 25 15.071 9.181 -2.331 1.00 0.00 N ATOM 0 H HIS 2 25 9.648 9.792 -0.231 1.00 0.00 H new ATOM 0 HA HIS 2 25 11.556 10.671 -2.335 1.00 0.00 H new ATOM 0 HB2 HIS 2 25 11.244 8.056 -1.084 1.00 0.00 H new ATOM 0 HB3 HIS 2 25 11.020 8.008 -2.821 1.00 0.00 H new ATOM 0 HD2 HIS 2 25 13.624 10.639 -1.709 1.00 0.00 H new ATOM 0 HE1 HIS 2 25 15.786 7.230 -2.999 1.00 0.00 H new ATOM 0 HE2 HIS 2 25 15.935 9.722 -2.291 1.00 0.00 H new ATOM 1241 N VAL 2 26 8.710 11.004 -2.529 1.00 0.00 N ATOM 1242 CA VAL 2 26 7.498 11.216 -3.302 1.00 0.00 C ATOM 1243 C VAL 2 26 7.863 11.389 -4.778 1.00 0.00 C ATOM 1244 O VAL 2 26 8.565 12.331 -5.141 1.00 0.00 O ATOM 1245 CB VAL 2 26 6.717 12.403 -2.736 1.00 0.00 C ATOM 1246 CG1 VAL 2 26 7.660 13.545 -2.350 1.00 0.00 C ATOM 1247 CG2 VAL 2 26 5.654 12.882 -3.726 1.00 0.00 C ATOM 0 H VAL 2 26 8.817 11.622 -1.725 1.00 0.00 H new ATOM 0 HA VAL 2 26 6.842 10.349 -3.229 1.00 0.00 H new ATOM 0 HB VAL 2 26 6.207 12.069 -1.833 1.00 0.00 H new ATOM 0 HG11 VAL 2 26 7.080 14.377 -1.950 1.00 0.00 H new ATOM 0 HG12 VAL 2 26 8.363 13.196 -1.593 1.00 0.00 H new ATOM 0 HG13 VAL 2 26 8.210 13.876 -3.231 1.00 0.00 H new ATOM 0 HG21 VAL 2 26 5.113 13.727 -3.299 1.00 0.00 H new ATOM 0 HG22 VAL 2 26 6.134 13.191 -4.654 1.00 0.00 H new ATOM 0 HG23 VAL 2 26 4.956 12.070 -3.931 1.00 0.00 H new ATOM 1257 N THR 2 27 7.370 10.465 -5.589 1.00 0.00 N ATOM 1258 CA THR 2 27 7.637 10.503 -7.017 1.00 0.00 C ATOM 1259 C THR 2 27 6.715 9.532 -7.757 1.00 0.00 C ATOM 1260 O THR 2 27 6.231 8.563 -7.174 1.00 0.00 O ATOM 1261 CB THR 2 27 9.123 10.212 -7.230 1.00 0.00 C ATOM 1262 OG1 THR 2 27 9.589 11.323 -7.991 1.00 0.00 O ATOM 1263 CG2 THR 2 27 9.359 9.008 -8.143 1.00 0.00 C ATOM 0 H THR 2 27 6.787 9.685 -5.285 1.00 0.00 H new ATOM 0 HA THR 2 27 7.423 11.487 -7.433 1.00 0.00 H new ATOM 0 HB THR 2 27 9.600 10.034 -6.266 1.00 0.00 H new ATOM 0 HG1 THR 2 27 10.546 11.217 -8.173 1.00 0.00 H new ATOM 0 HG21 THR 2 27 10.430 8.845 -8.261 1.00 0.00 H new ATOM 0 HG22 THR 2 27 8.904 8.122 -7.701 1.00 0.00 H new ATOM 0 HG23 THR 2 27 8.911 9.198 -9.119 1.00 0.00 H new ATOM 1271 N PRO 2 28 6.494 9.833 -9.065 1.00 0.00 N ATOM 1272 CA PRO 2 28 5.639 8.998 -9.891 1.00 0.00 C ATOM 1273 C PRO 2 28 6.348 7.697 -10.275 1.00 0.00 C ATOM 1274 O PRO 2 28 6.395 7.335 -11.449 1.00 0.00 O ATOM 1275 CB PRO 2 28 5.289 9.860 -11.093 1.00 0.00 C ATOM 1276 CG PRO 2 28 6.328 10.969 -11.127 1.00 0.00 C ATOM 1277 CD PRO 2 28 7.050 10.972 -9.789 1.00 0.00 C ATOM 0 HA PRO 2 28 4.736 8.677 -9.371 1.00 0.00 H new ATOM 0 HB2 PRO 2 28 5.311 9.275 -12.013 1.00 0.00 H new ATOM 0 HB3 PRO 2 28 4.283 10.270 -11.000 1.00 0.00 H new ATOM 0 HG2 PRO 2 28 7.034 10.806 -11.941 1.00 0.00 H new ATOM 0 HG3 PRO 2 28 5.852 11.933 -11.306 1.00 0.00 H new ATOM 0 HD2 PRO 2 28 8.127 10.870 -9.920 1.00 0.00 H new ATOM 0 HD3 PRO 2 28 6.881 11.904 -9.250 1.00 0.00 H new ATOM 1285 N LYS 2 29 6.883 7.031 -9.261 1.00 0.00 N ATOM 1286 CA LYS 2 29 7.587 5.779 -9.478 1.00 0.00 C ATOM 1287 C LYS 2 29 7.969 5.174 -8.126 1.00 0.00 C ATOM 1288 O LYS 2 29 8.177 3.966 -8.018 1.00 0.00 O ATOM 1289 CB LYS 2 29 8.778 5.990 -10.416 1.00 0.00 C ATOM 1290 CG LYS 2 29 9.429 4.654 -10.783 1.00 0.00 C ATOM 1291 CD LYS 2 29 9.625 4.537 -12.296 1.00 0.00 C ATOM 1292 CE LYS 2 29 11.091 4.747 -12.677 1.00 0.00 C ATOM 1293 NZ LYS 2 29 11.228 4.906 -14.142 1.00 0.00 N ATOM 0 H LYS 2 29 6.843 7.335 -8.288 1.00 0.00 H new ATOM 0 HA LYS 2 29 6.940 5.059 -9.979 1.00 0.00 H new ATOM 0 HB2 LYS 2 29 8.447 6.498 -11.322 1.00 0.00 H new ATOM 0 HB3 LYS 2 29 9.513 6.637 -9.937 1.00 0.00 H new ATOM 0 HG2 LYS 2 29 10.392 4.564 -10.280 1.00 0.00 H new ATOM 0 HG3 LYS 2 29 8.806 3.832 -10.429 1.00 0.00 H new ATOM 0 HD2 LYS 2 29 9.295 3.555 -12.634 1.00 0.00 H new ATOM 0 HD3 LYS 2 29 9.004 5.274 -12.805 1.00 0.00 H new ATOM 0 HE2 LYS 2 29 11.481 5.630 -12.171 1.00 0.00 H new ATOM 0 HE3 LYS 2 29 11.686 3.898 -12.340 1.00 0.00 H new ATOM 0 HZ1 LYS 2 29 12.230 5.048 -14.384 1.00 0.00 H new ATOM 0 HZ2 LYS 2 29 10.874 4.052 -14.618 1.00 0.00 H new ATOM 0 HZ3 LYS 2 29 10.676 5.730 -14.455 1.00 0.00 H new ATOM 1307 N GLU 2 30 8.050 6.040 -7.127 1.00 0.00 N ATOM 1308 CA GLU 2 30 8.402 5.606 -5.785 1.00 0.00 C ATOM 1309 C GLU 2 30 7.143 5.429 -4.937 1.00 0.00 C ATOM 1310 O GLU 2 30 6.996 4.426 -4.239 1.00 0.00 O ATOM 1311 CB GLU 2 30 9.372 6.590 -5.128 1.00 0.00 C ATOM 1312 CG GLU 2 30 10.801 6.042 -5.138 1.00 0.00 C ATOM 1313 CD GLU 2 30 11.644 6.728 -6.216 1.00 0.00 C ATOM 1314 OE1 GLU 2 30 11.446 7.948 -6.400 1.00 0.00 O ATOM 1315 OE2 GLU 2 30 12.468 6.016 -6.829 1.00 0.00 O ATOM 0 H GLU 2 30 7.878 7.041 -7.220 1.00 0.00 H new ATOM 0 HA GLU 2 30 8.906 4.642 -5.856 1.00 0.00 H new ATOM 0 HB2 GLU 2 30 9.341 7.543 -5.655 1.00 0.00 H new ATOM 0 HB3 GLU 2 30 9.060 6.783 -4.102 1.00 0.00 H new ATOM 0 HG2 GLU 2 30 11.260 6.194 -4.161 1.00 0.00 H new ATOM 0 HG3 GLU 2 30 10.781 4.967 -5.316 1.00 0.00 H new ATOM 1322 N CYS 2 31 6.265 6.417 -5.023 1.00 0.00 N ATOM 1323 CA CYS 2 31 5.022 6.382 -4.271 1.00 0.00 C ATOM 1324 C CYS 2 31 4.198 5.190 -4.760 1.00 0.00 C ATOM 1325 O CYS 2 31 3.825 4.322 -3.971 1.00 0.00 O ATOM 1326 CB CYS 2 31 4.251 7.699 -4.393 1.00 0.00 C ATOM 1327 SG CYS 2 31 4.783 9.010 -3.233 1.00 0.00 S ATOM 0 H CYS 2 31 6.390 7.247 -5.602 1.00 0.00 H new ATOM 0 HA CYS 2 31 5.239 6.261 -3.210 1.00 0.00 H new ATOM 0 HB2 CYS 2 31 4.355 8.071 -5.412 1.00 0.00 H new ATOM 0 HB3 CYS 2 31 3.191 7.500 -4.233 1.00 0.00 H new ATOM 1332 N ASN 2 32 3.936 5.186 -6.059 1.00 0.00 N ATOM 1333 CA ASN 2 32 3.163 4.114 -6.663 1.00 0.00 C ATOM 1334 C ASN 2 32 3.915 2.792 -6.497 1.00 0.00 C ATOM 1335 O ASN 2 32 3.389 1.729 -6.824 1.00 0.00 O ATOM 1336 CB ASN 2 32 2.960 4.358 -8.160 1.00 0.00 C ATOM 1337 CG ASN 2 32 1.657 5.118 -8.420 1.00 0.00 C ATOM 1338 OD1 ASN 2 32 1.566 6.272 -7.767 1.00 0.00 O flip ATOM 1339 ND2 ASN 2 32 0.794 4.684 -9.165 1.00 0.00 N flip ATOM 0 H ASN 2 32 4.245 5.908 -6.710 1.00 0.00 H new ATOM 0 HA ASN 2 32 2.192 4.078 -6.168 1.00 0.00 H new ATOM 0 HB2 ASN 2 32 3.802 4.926 -8.557 1.00 0.00 H new ATOM 0 HB3 ASN 2 32 2.941 3.405 -8.688 1.00 0.00 H new ATOM 0 HD21 ASN 2 32 0.929 3.789 -9.635 1.00 0.00 H new ATOM 0 HD22 ASN 2 32 -0.063 5.216 -9.318 1.00 0.00 H new ATOM 1346 N ASN 2 33 5.133 2.900 -5.988 1.00 0.00 N ATOM 1347 CA ASN 2 33 5.962 1.727 -5.774 1.00 0.00 C ATOM 1348 C ASN 2 33 5.973 1.380 -4.285 1.00 0.00 C ATOM 1349 O ASN 2 33 6.150 0.221 -3.914 1.00 0.00 O ATOM 1350 CB ASN 2 33 7.406 1.985 -6.210 1.00 0.00 C ATOM 1351 CG ASN 2 33 8.325 0.847 -5.765 1.00 0.00 C ATOM 1352 OD1 ASN 2 33 8.110 -0.314 -6.070 1.00 0.00 O ATOM 1353 ND2 ASN 2 33 9.360 1.243 -5.029 1.00 0.00 N ATOM 0 H ASN 2 33 5.566 3.783 -5.717 1.00 0.00 H new ATOM 0 HA ASN 2 33 5.548 0.910 -6.365 1.00 0.00 H new ATOM 0 HB2 ASN 2 33 7.449 2.089 -7.294 1.00 0.00 H new ATOM 0 HB3 ASN 2 33 7.755 2.926 -5.785 1.00 0.00 H new ATOM 0 HD21 ASN 2 33 10.032 0.558 -4.684 1.00 0.00 H new ATOM 0 HD22 ASN 2 33 9.481 2.232 -4.810 1.00 0.00 H new ATOM 1360 N ARG 2 34 5.783 2.407 -3.469 1.00 0.00 N ATOM 1361 CA ARG 2 34 5.769 2.226 -2.027 1.00 0.00 C ATOM 1362 C ARG 2 34 4.350 1.912 -1.546 1.00 0.00 C ATOM 1363 O ARG 2 34 4.170 1.279 -0.507 1.00 0.00 O ATOM 1364 CB ARG 2 34 6.278 3.477 -1.309 1.00 0.00 C ATOM 1365 CG ARG 2 34 5.118 4.382 -0.894 1.00 0.00 C ATOM 1366 CD ARG 2 34 4.685 4.094 0.544 1.00 0.00 C ATOM 1367 NE ARG 2 34 3.234 3.805 0.589 1.00 0.00 N ATOM 1368 CZ ARG 2 34 2.466 3.980 1.672 1.00 0.00 C ATOM 1369 NH1 ARG 2 34 3.005 4.445 2.808 1.00 0.00 N ATOM 1370 NH2 ARG 2 34 1.158 3.692 1.620 1.00 0.00 N ATOM 0 H ARG 2 34 5.637 3.368 -3.779 1.00 0.00 H new ATOM 0 HA ARG 2 34 6.430 1.392 -1.791 1.00 0.00 H new ATOM 0 HB2 ARG 2 34 6.851 3.187 -0.428 1.00 0.00 H new ATOM 0 HB3 ARG 2 34 6.956 4.026 -1.963 1.00 0.00 H new ATOM 0 HG2 ARG 2 34 5.416 5.426 -0.985 1.00 0.00 H new ATOM 0 HG3 ARG 2 34 4.275 4.231 -1.568 1.00 0.00 H new ATOM 0 HD2 ARG 2 34 5.245 3.246 0.938 1.00 0.00 H new ATOM 0 HD3 ARG 2 34 4.913 4.950 1.179 1.00 0.00 H new ATOM 0 HE ARG 2 34 2.791 3.450 -0.258 1.00 0.00 H new ATOM 0 HH11 ARG 2 34 4.000 4.666 2.847 1.00 0.00 H new ATOM 0 HH12 ARG 2 34 2.420 4.578 3.633 1.00 0.00 H new ATOM 0 HH21 ARG 2 34 0.747 3.339 0.755 1.00 0.00 H new ATOM 0 HH22 ARG 2 34 0.573 3.825 2.445 1.00 0.00 H new ATOM 1384 N GLY 2 35 3.381 2.371 -2.324 1.00 0.00 N ATOM 1385 CA GLY 2 35 1.984 2.148 -1.989 1.00 0.00 C ATOM 1386 C GLY 2 35 1.229 3.474 -1.873 1.00 0.00 C ATOM 1387 O GLY 2 35 0.192 3.546 -1.217 1.00 0.00 O ATOM 0 H GLY 2 35 3.535 2.896 -3.185 1.00 0.00 H new ATOM 0 HA2 GLY 2 35 1.518 1.526 -2.753 1.00 0.00 H new ATOM 0 HA3 GLY 2 35 1.915 1.602 -1.048 1.00 0.00 H new ATOM 1391 N CYS 2 36 1.781 4.490 -2.521 1.00 0.00 N ATOM 1392 CA CYS 2 36 1.172 5.810 -2.498 1.00 0.00 C ATOM 1393 C CYS 2 36 0.844 6.212 -3.937 1.00 0.00 C ATOM 1394 O CYS 2 36 1.315 5.583 -4.885 1.00 0.00 O ATOM 1395 CB CYS 2 36 2.073 6.836 -1.810 1.00 0.00 C ATOM 1396 SG CYS 2 36 2.456 6.470 -0.058 1.00 0.00 S ATOM 0 H CYS 2 36 2.642 4.426 -3.064 1.00 0.00 H new ATOM 0 HA CYS 2 36 0.254 5.780 -1.912 1.00 0.00 H new ATOM 0 HB2 CYS 2 36 3.009 6.907 -2.365 1.00 0.00 H new ATOM 0 HB3 CYS 2 36 1.595 7.814 -1.866 1.00 0.00 H new ATOM 1401 N CYS 2 37 0.040 7.257 -4.057 1.00 0.00 N ATOM 1402 CA CYS 2 37 -0.356 7.751 -5.365 1.00 0.00 C ATOM 1403 C CYS 2 37 0.230 9.152 -5.547 1.00 0.00 C ATOM 1404 O CYS 2 37 0.023 10.030 -4.711 1.00 0.00 O ATOM 1405 CB CYS 2 37 -1.877 7.741 -5.536 1.00 0.00 C ATOM 1406 SG CYS 2 37 -2.453 7.579 -7.266 1.00 0.00 S ATOM 0 H CYS 2 37 -0.349 7.776 -3.270 1.00 0.00 H new ATOM 0 HA CYS 2 37 0.035 7.092 -6.140 1.00 0.00 H new ATOM 0 HB2 CYS 2 37 -2.289 6.918 -4.952 1.00 0.00 H new ATOM 0 HB3 CYS 2 37 -2.282 8.663 -5.118 1.00 0.00 H new ATOM 1411 N PHE 2 38 0.950 9.320 -6.647 1.00 0.00 N ATOM 1412 CA PHE 2 38 1.568 10.599 -6.950 1.00 0.00 C ATOM 1413 C PHE 2 38 0.649 11.459 -7.820 1.00 0.00 C ATOM 1414 O PHE 2 38 0.289 11.064 -8.928 1.00 0.00 O ATOM 1415 CB PHE 2 38 2.854 10.303 -7.724 1.00 0.00 C ATOM 1416 CG PHE 2 38 3.758 11.522 -7.919 1.00 0.00 C ATOM 1417 CD1 PHE 2 38 4.646 11.871 -6.949 1.00 0.00 C ATOM 1418 CD2 PHE 2 38 3.675 12.256 -9.060 1.00 0.00 C ATOM 1419 CE1 PHE 2 38 5.486 13.002 -7.129 1.00 0.00 C ATOM 1420 CE2 PHE 2 38 4.514 13.386 -9.240 1.00 0.00 C ATOM 1421 CZ PHE 2 38 5.401 13.736 -8.271 1.00 0.00 C ATOM 0 H PHE 2 38 1.119 8.590 -7.340 1.00 0.00 H new ATOM 0 HA PHE 2 38 1.766 11.145 -6.027 1.00 0.00 H new ATOM 0 HB2 PHE 2 38 3.413 9.530 -7.197 1.00 0.00 H new ATOM 0 HB3 PHE 2 38 2.592 9.897 -8.701 1.00 0.00 H new ATOM 0 HD1 PHE 2 38 4.712 11.288 -6.042 1.00 0.00 H new ATOM 0 HD2 PHE 2 38 2.970 11.979 -9.830 1.00 0.00 H new ATOM 0 HE1 PHE 2 38 6.192 13.279 -6.360 1.00 0.00 H new ATOM 0 HE2 PHE 2 38 4.448 13.968 -10.147 1.00 0.00 H new ATOM 0 HZ PHE 2 38 6.038 14.597 -8.408 1.00 0.00 H new ATOM 1431 N ASP 2 39 0.297 12.620 -7.285 1.00 0.00 N ATOM 1432 CA ASP 2 39 -0.573 13.539 -7.999 1.00 0.00 C ATOM 1433 C ASP 2 39 0.269 14.407 -8.936 1.00 0.00 C ATOM 1434 O ASP 2 39 0.372 14.122 -10.128 1.00 0.00 O ATOM 1435 CB ASP 2 39 -1.310 14.465 -7.030 1.00 0.00 C ATOM 1436 CG ASP 2 39 -2.232 15.491 -7.691 1.00 0.00 C ATOM 1437 OD1 ASP 2 39 -3.251 15.051 -8.266 1.00 0.00 O ATOM 1438 OD2 ASP 2 39 -1.899 16.692 -7.604 1.00 0.00 O ATOM 0 H ASP 2 39 0.599 12.944 -6.366 1.00 0.00 H new ATOM 0 HA ASP 2 39 -1.300 12.950 -8.558 1.00 0.00 H new ATOM 0 HB2 ASP 2 39 -1.901 13.855 -6.347 1.00 0.00 H new ATOM 0 HB3 ASP 2 39 -0.573 14.996 -6.427 1.00 0.00 H new ATOM 1443 N SER 2 40 0.849 15.450 -8.362 1.00 0.00 N ATOM 1444 CA SER 2 40 1.679 16.362 -9.129 1.00 0.00 C ATOM 1445 C SER 2 40 0.807 17.429 -9.795 1.00 0.00 C ATOM 1446 O SER 2 40 1.317 18.433 -10.291 1.00 0.00 O ATOM 1447 CB SER 2 40 2.494 15.610 -10.183 1.00 0.00 C ATOM 1448 OG SER 2 40 3.808 16.144 -10.323 1.00 0.00 O ATOM 0 H SER 2 40 0.760 15.684 -7.373 1.00 0.00 H new ATOM 0 HA SER 2 40 2.377 16.846 -8.446 1.00 0.00 H new ATOM 0 HB2 SER 2 40 2.558 14.557 -9.909 1.00 0.00 H new ATOM 0 HB3 SER 2 40 1.979 15.659 -11.142 1.00 0.00 H new ATOM 0 HG SER 2 40 4.440 15.597 -9.810 1.00 0.00 H new ATOM 1454 N ARG 2 41 -0.493 17.175 -9.784 1.00 0.00 N ATOM 1455 CA ARG 2 41 -1.441 18.101 -10.380 1.00 0.00 C ATOM 1456 C ARG 2 41 -1.481 19.407 -9.583 1.00 0.00 C ATOM 1457 O ARG 2 41 -1.478 20.492 -10.162 1.00 0.00 O ATOM 1458 CB ARG 2 41 -2.847 17.497 -10.427 1.00 0.00 C ATOM 1459 CG ARG 2 41 -2.838 16.143 -11.140 1.00 0.00 C ATOM 1460 CD ARG 2 41 -4.094 15.965 -11.994 1.00 0.00 C ATOM 1461 NE ARG 2 41 -3.718 15.703 -13.401 1.00 0.00 N ATOM 1462 CZ ARG 2 41 -3.269 14.525 -13.851 1.00 0.00 C ATOM 1463 NH1 ARG 2 41 -3.138 13.490 -13.009 1.00 0.00 N ATOM 1464 NH2 ARG 2 41 -2.951 14.378 -15.145 1.00 0.00 N ATOM 0 H ARG 2 41 -0.912 16.341 -9.372 1.00 0.00 H new ATOM 0 HA ARG 2 41 -1.110 18.303 -11.399 1.00 0.00 H new ATOM 0 HB2 ARG 2 41 -3.229 17.376 -9.413 1.00 0.00 H new ATOM 0 HB3 ARG 2 41 -3.523 18.179 -10.943 1.00 0.00 H new ATOM 0 HG2 ARG 2 41 -1.952 16.066 -11.770 1.00 0.00 H new ATOM 0 HG3 ARG 2 41 -2.777 15.341 -10.404 1.00 0.00 H new ATOM 0 HD2 ARG 2 41 -4.691 15.138 -11.609 1.00 0.00 H new ATOM 0 HD3 ARG 2 41 -4.713 16.860 -11.935 1.00 0.00 H new ATOM 0 HE ARG 2 41 -3.807 16.468 -14.070 1.00 0.00 H new ATOM 0 HH11 ARG 2 41 -3.381 13.600 -12.024 1.00 0.00 H new ATOM 0 HH12 ARG 2 41 -2.796 12.593 -13.353 1.00 0.00 H new ATOM 0 HH21 ARG 2 41 -3.051 15.164 -15.787 1.00 0.00 H new ATOM 0 HH22 ARG 2 41 -2.609 13.480 -15.487 1.00 0.00 H new ATOM 1478 N ILE 2 42 -1.516 19.258 -8.267 1.00 0.00 N ATOM 1479 CA ILE 2 42 -1.557 20.412 -7.384 1.00 0.00 C ATOM 1480 C ILE 2 42 -0.365 20.358 -6.427 1.00 0.00 C ATOM 1481 O ILE 2 42 -0.304 19.493 -5.553 1.00 0.00 O ATOM 1482 CB ILE 2 42 -2.911 20.498 -6.677 1.00 0.00 C ATOM 1483 CG1 ILE 2 42 -4.037 20.004 -7.587 1.00 0.00 C ATOM 1484 CG2 ILE 2 42 -3.170 21.915 -6.161 1.00 0.00 C ATOM 1485 CD1 ILE 2 42 -5.396 20.516 -7.104 1.00 0.00 C ATOM 0 H ILE 2 42 -1.517 18.356 -7.791 1.00 0.00 H new ATOM 0 HA ILE 2 42 -1.464 21.334 -7.957 1.00 0.00 H new ATOM 0 HB ILE 2 42 -2.886 19.839 -5.809 1.00 0.00 H new ATOM 0 HG12 ILE 2 42 -3.859 20.342 -8.608 1.00 0.00 H new ATOM 0 HG13 ILE 2 42 -4.041 18.914 -7.608 1.00 0.00 H new ATOM 0 HG21 ILE 2 42 -4.139 21.949 -5.663 1.00 0.00 H new ATOM 0 HG22 ILE 2 42 -2.388 22.193 -5.454 1.00 0.00 H new ATOM 0 HG23 ILE 2 42 -3.168 22.613 -6.998 1.00 0.00 H new ATOM 0 HD11 ILE 2 42 -6.179 20.151 -7.768 1.00 0.00 H new ATOM 0 HD12 ILE 2 42 -5.581 20.157 -6.092 1.00 0.00 H new ATOM 0 HD13 ILE 2 42 -5.396 21.606 -7.108 1.00 0.00 H new ATOM 1497 N PRO 2 43 0.578 21.316 -6.628 1.00 0.00 N ATOM 1498 CA PRO 2 43 1.764 21.386 -5.792 1.00 0.00 C ATOM 1499 C PRO 2 43 1.431 21.955 -4.412 1.00 0.00 C ATOM 1500 O PRO 2 43 2.293 22.017 -3.537 1.00 0.00 O ATOM 1501 CB PRO 2 43 2.743 22.251 -6.570 1.00 0.00 C ATOM 1502 CG PRO 2 43 1.910 23.012 -7.588 1.00 0.00 C ATOM 1503 CD PRO 2 43 0.540 22.356 -7.652 1.00 0.00 C ATOM 0 HA PRO 2 43 2.193 20.405 -5.589 1.00 0.00 H new ATOM 0 HB2 PRO 2 43 3.271 22.936 -5.907 1.00 0.00 H new ATOM 0 HB3 PRO 2 43 3.498 21.639 -7.063 1.00 0.00 H new ATOM 0 HG2 PRO 2 43 1.819 24.059 -7.300 1.00 0.00 H new ATOM 0 HG3 PRO 2 43 2.390 22.991 -8.567 1.00 0.00 H new ATOM 0 HD2 PRO 2 43 -0.254 23.077 -7.455 1.00 0.00 H new ATOM 0 HD3 PRO 2 43 0.349 21.933 -8.638 1.00 0.00 H new ATOM 1511 N GLY 2 44 0.177 22.356 -4.260 1.00 0.00 N ATOM 1512 CA GLY 2 44 -0.281 22.918 -3.001 1.00 0.00 C ATOM 1513 C GLY 2 44 -0.876 21.832 -2.100 1.00 0.00 C ATOM 1514 O GLY 2 44 -1.209 22.093 -0.945 1.00 0.00 O ATOM 0 H GLY 2 44 -0.536 22.303 -4.988 1.00 0.00 H new ATOM 0 HA2 GLY 2 44 0.551 23.403 -2.491 1.00 0.00 H new ATOM 0 HA3 GLY 2 44 -1.029 23.687 -3.193 1.00 0.00 H new ATOM 1518 N VAL 2 45 -0.989 20.638 -2.662 1.00 0.00 N ATOM 1519 CA VAL 2 45 -1.537 19.513 -1.925 1.00 0.00 C ATOM 1520 C VAL 2 45 -0.508 18.381 -1.892 1.00 0.00 C ATOM 1521 O VAL 2 45 0.609 18.538 -2.383 1.00 0.00 O ATOM 1522 CB VAL 2 45 -2.874 19.088 -2.535 1.00 0.00 C ATOM 1523 CG1 VAL 2 45 -3.647 20.299 -3.060 1.00 0.00 C ATOM 1524 CG2 VAL 2 45 -2.667 18.050 -3.640 1.00 0.00 C ATOM 0 H VAL 2 45 -0.710 20.425 -3.620 1.00 0.00 H new ATOM 0 HA VAL 2 45 -1.742 19.797 -0.893 1.00 0.00 H new ATOM 0 HB VAL 2 45 -3.469 18.626 -1.747 1.00 0.00 H new ATOM 0 HG11 VAL 2 45 -4.593 19.969 -3.488 1.00 0.00 H new ATOM 0 HG12 VAL 2 45 -3.841 20.990 -2.240 1.00 0.00 H new ATOM 0 HG13 VAL 2 45 -3.058 20.802 -3.827 1.00 0.00 H new ATOM 0 HG21 VAL 2 45 -3.633 17.765 -4.057 1.00 0.00 H new ATOM 0 HG22 VAL 2 45 -2.044 18.475 -4.427 1.00 0.00 H new ATOM 0 HG23 VAL 2 45 -2.177 17.169 -3.225 1.00 0.00 H new ATOM 1534 N PRO 2 46 -0.932 17.237 -1.292 1.00 0.00 N ATOM 1535 CA PRO 2 46 -0.060 16.079 -1.189 1.00 0.00 C ATOM 1536 C PRO 2 46 0.068 15.366 -2.536 1.00 0.00 C ATOM 1537 O PRO 2 46 -0.923 14.884 -3.084 1.00 0.00 O ATOM 1538 CB PRO 2 46 -0.689 15.207 -0.113 1.00 0.00 C ATOM 1539 CG PRO 2 46 -2.128 15.679 0.016 1.00 0.00 C ATOM 1540 CD PRO 2 46 -2.247 17.015 -0.699 1.00 0.00 C ATOM 0 HA PRO 2 46 0.962 16.346 -0.921 1.00 0.00 H new ATOM 0 HB2 PRO 2 46 -0.647 14.154 -0.390 1.00 0.00 H new ATOM 0 HB3 PRO 2 46 -0.158 15.310 0.833 1.00 0.00 H new ATOM 0 HG2 PRO 2 46 -2.809 14.950 -0.422 1.00 0.00 H new ATOM 0 HG3 PRO 2 46 -2.403 15.782 1.066 1.00 0.00 H new ATOM 0 HD2 PRO 2 46 -3.026 16.988 -1.461 1.00 0.00 H new ATOM 0 HD3 PRO 2 46 -2.508 17.814 -0.005 1.00 0.00 H new ATOM 1548 N TRP 2 47 1.296 15.321 -3.032 1.00 0.00 N ATOM 1549 CA TRP 2 47 1.565 14.676 -4.305 1.00 0.00 C ATOM 1550 C TRP 2 47 1.963 13.225 -4.025 1.00 0.00 C ATOM 1551 O TRP 2 47 2.709 12.622 -4.795 1.00 0.00 O ATOM 1552 CB TRP 2 47 2.625 15.444 -5.096 1.00 0.00 C ATOM 1553 CG TRP 2 47 2.965 16.817 -4.511 1.00 0.00 C ATOM 1554 CD1 TRP 2 47 2.245 17.944 -4.582 1.00 0.00 C ATOM 1555 CD2 TRP 2 47 4.146 17.162 -3.758 1.00 0.00 C ATOM 1556 NE1 TRP 2 47 2.873 18.988 -3.933 1.00 0.00 N ATOM 1557 CE2 TRP 2 47 4.066 18.497 -3.415 1.00 0.00 C ATOM 1558 CE3 TRP 2 47 5.246 16.373 -3.378 1.00 0.00 C ATOM 1559 CZ2 TRP 2 47 5.054 19.160 -2.677 1.00 0.00 C ATOM 1560 CZ3 TRP 2 47 6.225 17.051 -2.641 1.00 0.00 C ATOM 1561 CH2 TRP 2 47 6.160 18.393 -2.288 1.00 0.00 C ATOM 0 H TRP 2 47 2.115 15.721 -2.575 1.00 0.00 H new ATOM 0 HA TRP 2 47 0.675 14.678 -4.934 1.00 0.00 H new ATOM 0 HB2 TRP 2 47 3.534 14.845 -5.142 1.00 0.00 H new ATOM 0 HB3 TRP 2 47 2.276 15.573 -6.121 1.00 0.00 H new ATOM 0 HD1 TRP 2 47 1.292 18.026 -5.084 1.00 0.00 H new ATOM 0 HE1 TRP 2 47 2.526 19.943 -3.849 1.00 0.00 H new ATOM 0 HE3 TRP 2 47 5.329 15.327 -3.634 1.00 0.00 H new ATOM 0 HZ2 TRP 2 47 4.968 20.206 -2.421 1.00 0.00 H new ATOM 0 HZ3 TRP 2 47 7.092 16.491 -2.325 1.00 0.00 H new ATOM 0 HH2 TRP 2 47 6.958 18.843 -1.716 1.00 0.00 H new ATOM 1572 N CYS 2 48 1.449 12.707 -2.920 1.00 0.00 N ATOM 1573 CA CYS 2 48 1.741 11.338 -2.528 1.00 0.00 C ATOM 1574 C CYS 2 48 0.803 10.956 -1.382 1.00 0.00 C ATOM 1575 O CYS 2 48 0.939 11.461 -0.268 1.00 0.00 O ATOM 1576 CB CYS 2 48 3.212 11.162 -2.145 1.00 0.00 C ATOM 1577 SG CYS 2 48 3.712 9.436 -1.798 1.00 0.00 S ATOM 0 H CYS 2 48 0.832 13.210 -2.283 1.00 0.00 H new ATOM 0 HA CYS 2 48 1.571 10.670 -3.373 1.00 0.00 H new ATOM 0 HB2 CYS 2 48 3.832 11.550 -2.953 1.00 0.00 H new ATOM 0 HB3 CYS 2 48 3.419 11.770 -1.264 1.00 0.00 H new ATOM 1582 N PHE 2 49 -0.129 10.067 -1.693 1.00 0.00 N ATOM 1583 CA PHE 2 49 -1.090 9.611 -0.703 1.00 0.00 C ATOM 1584 C PHE 2 49 -1.481 8.153 -0.950 1.00 0.00 C ATOM 1585 O PHE 2 49 -0.841 7.459 -1.739 1.00 0.00 O ATOM 1586 CB PHE 2 49 -2.333 10.492 -0.847 1.00 0.00 C ATOM 1587 CG PHE 2 49 -2.549 11.038 -2.260 1.00 0.00 C ATOM 1588 CD1 PHE 2 49 -1.711 11.986 -2.759 1.00 0.00 C ATOM 1589 CD2 PHE 2 49 -3.579 10.574 -3.018 1.00 0.00 C ATOM 1590 CE1 PHE 2 49 -1.912 12.492 -4.070 1.00 0.00 C ATOM 1591 CE2 PHE 2 49 -3.779 11.079 -4.329 1.00 0.00 C ATOM 1592 CZ PHE 2 49 -2.942 12.028 -4.828 1.00 0.00 C ATOM 0 H PHE 2 49 -0.239 9.650 -2.617 1.00 0.00 H new ATOM 0 HA PHE 2 49 -0.657 9.679 0.295 1.00 0.00 H new ATOM 0 HB2 PHE 2 49 -3.210 9.916 -0.553 1.00 0.00 H new ATOM 0 HB3 PHE 2 49 -2.255 11.329 -0.153 1.00 0.00 H new ATOM 0 HD1 PHE 2 49 -0.893 12.354 -2.158 1.00 0.00 H new ATOM 0 HD2 PHE 2 49 -4.245 9.821 -2.622 1.00 0.00 H new ATOM 0 HE1 PHE 2 49 -1.247 13.245 -4.466 1.00 0.00 H new ATOM 0 HE2 PHE 2 49 -4.596 10.710 -4.931 1.00 0.00 H new ATOM 0 HZ PHE 2 49 -3.095 12.413 -5.825 1.00 0.00 H new ATOM 1602 N LYS 2 50 -2.532 7.731 -0.262 1.00 0.00 N ATOM 1603 CA LYS 2 50 -3.016 6.368 -0.397 1.00 0.00 C ATOM 1604 C LYS 2 50 -4.487 6.393 -0.818 1.00 0.00 C ATOM 1605 O LYS 2 50 -5.367 6.046 -0.034 1.00 0.00 O ATOM 1606 CB LYS 2 50 -2.759 5.579 0.889 1.00 0.00 C ATOM 1607 CG LYS 2 50 -3.055 6.431 2.124 1.00 0.00 C ATOM 1608 CD LYS 2 50 -1.763 6.968 2.743 1.00 0.00 C ATOM 1609 CE LYS 2 50 -0.928 5.833 3.340 1.00 0.00 C ATOM 1610 NZ LYS 2 50 -1.031 5.836 4.817 1.00 0.00 N ATOM 0 H LYS 2 50 -3.062 8.309 0.390 1.00 0.00 H new ATOM 0 HA LYS 2 50 -2.468 5.845 -1.181 1.00 0.00 H new ATOM 0 HB2 LYS 2 50 -3.382 4.685 0.902 1.00 0.00 H new ATOM 0 HB3 LYS 2 50 -1.722 5.245 0.914 1.00 0.00 H new ATOM 0 HG2 LYS 2 50 -3.704 7.263 1.849 1.00 0.00 H new ATOM 0 HG3 LYS 2 50 -3.595 5.835 2.860 1.00 0.00 H new ATOM 0 HD2 LYS 2 50 -1.182 7.491 1.984 1.00 0.00 H new ATOM 0 HD3 LYS 2 50 -2.002 7.695 3.519 1.00 0.00 H new ATOM 0 HE2 LYS 2 50 -1.271 4.876 2.947 1.00 0.00 H new ATOM 0 HE3 LYS 2 50 0.114 5.945 3.042 1.00 0.00 H new ATOM 0 HZ1 LYS 2 50 -0.159 6.229 5.225 1.00 0.00 H new ATOM 0 HZ2 LYS 2 50 -1.842 6.419 5.107 1.00 0.00 H new ATOM 0 HZ3 LYS 2 50 -1.164 4.862 5.158 1.00 0.00 H new ATOM 1624 N PRO 2 51 -4.713 6.818 -2.090 1.00 0.00 N ATOM 1625 CA PRO 2 51 -6.061 6.894 -2.627 1.00 0.00 C ATOM 1626 C PRO 2 51 -6.596 5.500 -2.960 1.00 0.00 C ATOM 1627 O PRO 2 51 -7.133 4.812 -2.093 1.00 0.00 O ATOM 1628 CB PRO 2 51 -5.950 7.795 -3.845 1.00 0.00 C ATOM 1629 CG PRO 2 51 -4.476 7.816 -4.216 1.00 0.00 C ATOM 1630 CD PRO 2 51 -3.693 7.238 -3.048 1.00 0.00 C ATOM 0 HA PRO 2 51 -6.777 7.301 -1.913 1.00 0.00 H new ATOM 0 HB2 PRO 2 51 -6.554 7.415 -4.668 1.00 0.00 H new ATOM 0 HB3 PRO 2 51 -6.311 8.799 -3.622 1.00 0.00 H new ATOM 0 HG2 PRO 2 51 -4.301 7.231 -5.119 1.00 0.00 H new ATOM 0 HG3 PRO 2 51 -4.150 8.834 -4.427 1.00 0.00 H new ATOM 0 HD2 PRO 2 51 -3.075 6.397 -3.363 1.00 0.00 H new ATOM 0 HD3 PRO 2 51 -3.024 7.981 -2.614 1.00 0.00 H new ATOM 1638 N LEU 2 52 -6.432 5.125 -4.222 1.00 0.00 N ATOM 1639 CA LEU 2 52 -6.893 3.825 -4.681 1.00 0.00 C ATOM 1640 C LEU 2 52 -5.712 2.854 -4.713 1.00 0.00 C ATOM 1641 O LEU 2 52 -5.609 2.025 -5.617 1.00 0.00 O ATOM 1642 CB LEU 2 52 -7.617 3.958 -6.022 1.00 0.00 C ATOM 1643 CG LEU 2 52 -6.746 3.822 -7.272 1.00 0.00 C ATOM 1644 CD1 LEU 2 52 -7.079 2.540 -8.036 1.00 0.00 C ATOM 1645 CD2 LEU 2 52 -6.862 5.064 -8.158 1.00 0.00 C ATOM 0 H LEU 2 52 -5.987 5.698 -4.939 1.00 0.00 H new ATOM 0 HA LEU 2 52 -7.627 3.413 -3.988 1.00 0.00 H new ATOM 0 HB2 LEU 2 52 -8.401 3.202 -6.066 1.00 0.00 H new ATOM 0 HB3 LEU 2 52 -8.110 4.930 -6.051 1.00 0.00 H new ATOM 0 HG LEU 2 52 -5.705 3.747 -6.957 1.00 0.00 H new ATOM 0 HD11 LEU 2 52 -6.445 2.468 -8.920 1.00 0.00 H new ATOM 0 HD12 LEU 2 52 -6.904 1.677 -7.393 1.00 0.00 H new ATOM 0 HD13 LEU 2 52 -8.125 2.559 -8.340 1.00 0.00 H new ATOM 0 HD21 LEU 2 52 -6.233 4.942 -9.040 1.00 0.00 H new ATOM 0 HD22 LEU 2 52 -7.899 5.195 -8.467 1.00 0.00 H new ATOM 0 HD23 LEU 2 52 -6.537 5.941 -7.599 1.00 0.00 H new ATOM 1657 N GLN 2 53 -4.850 2.985 -3.716 1.00 0.00 N ATOM 1658 CA GLN 2 53 -3.681 2.129 -3.619 1.00 0.00 C ATOM 1659 C GLN 2 53 -4.086 0.660 -3.743 1.00 0.00 C ATOM 1660 O GLN 2 53 -3.255 -0.196 -4.043 1.00 0.00 O ATOM 1661 CB GLN 2 53 -2.923 2.380 -2.314 1.00 0.00 C ATOM 1662 CG GLN 2 53 -2.425 3.824 -2.238 1.00 0.00 C ATOM 1663 CD GLN 2 53 -1.466 4.134 -3.389 1.00 0.00 C ATOM 1664 OE1 GLN 2 53 -1.461 5.216 -3.954 1.00 0.00 O ATOM 1665 NE2 GLN 2 53 -0.656 3.127 -3.705 1.00 0.00 N ATOM 0 H GLN 2 53 -4.938 3.672 -2.967 1.00 0.00 H new ATOM 0 HA GLN 2 53 -3.010 2.371 -4.443 1.00 0.00 H new ATOM 0 HB2 GLN 2 53 -3.574 2.171 -1.465 1.00 0.00 H new ATOM 0 HB3 GLN 2 53 -2.077 1.696 -2.243 1.00 0.00 H new ATOM 0 HG2 GLN 2 53 -3.273 4.507 -2.273 1.00 0.00 H new ATOM 0 HG3 GLN 2 53 -1.921 3.989 -1.286 1.00 0.00 H new ATOM 0 HE21 GLN 2 53 -0.712 2.247 -3.192 1.00 0.00 H new ATOM 0 HE22 GLN 2 53 0.021 3.235 -4.460 1.00 0.00 H new ATOM 1674 N GLU 2 54 -5.366 0.411 -3.505 1.00 0.00 N ATOM 1675 CA GLU 2 54 -5.894 -0.941 -3.587 1.00 0.00 C ATOM 1676 C GLU 2 54 -5.305 -1.669 -4.797 1.00 0.00 C ATOM 1677 O GLU 2 54 -5.236 -2.897 -4.815 1.00 0.00 O ATOM 1678 CB GLU 2 54 -7.423 -0.931 -3.642 1.00 0.00 C ATOM 1679 CG GLU 2 54 -7.918 -0.342 -4.965 1.00 0.00 C ATOM 1680 CD GLU 2 54 -9.113 -1.132 -5.503 1.00 0.00 C ATOM 1681 OE1 GLU 2 54 -8.943 -2.354 -5.703 1.00 0.00 O ATOM 1682 OE2 GLU 2 54 -10.170 -0.496 -5.701 1.00 0.00 O ATOM 0 H GLU 2 54 -6.053 1.123 -3.255 1.00 0.00 H new ATOM 0 HA GLU 2 54 -5.600 -1.480 -2.686 1.00 0.00 H new ATOM 0 HB2 GLU 2 54 -7.802 -1.947 -3.527 1.00 0.00 H new ATOM 0 HB3 GLU 2 54 -7.817 -0.348 -2.810 1.00 0.00 H new ATOM 0 HG2 GLU 2 54 -8.202 0.700 -4.820 1.00 0.00 H new ATOM 0 HG3 GLU 2 54 -7.111 -0.353 -5.697 1.00 0.00 H new ATOM 1689 N ALA 2 55 -4.895 -0.880 -5.780 1.00 0.00 N ATOM 1690 CA ALA 2 55 -4.315 -1.434 -6.991 1.00 0.00 C ATOM 1691 C ALA 2 55 -3.652 -2.774 -6.668 1.00 0.00 C ATOM 1692 O ALA 2 55 -4.166 -3.829 -7.034 1.00 0.00 O ATOM 1693 CB ALA 2 55 -3.331 -0.427 -7.593 1.00 0.00 C ATOM 0 H ALA 2 55 -4.953 0.138 -5.762 1.00 0.00 H new ATOM 0 HA ALA 2 55 -5.089 -1.620 -7.736 1.00 0.00 H new ATOM 0 HB1 ALA 2 55 -2.896 -0.842 -8.502 1.00 0.00 H new ATOM 0 HB2 ALA 2 55 -3.857 0.497 -7.832 1.00 0.00 H new ATOM 0 HB3 ALA 2 55 -2.539 -0.218 -6.874 1.00 0.00 H new ATOM 1699 N GLU 2 56 -2.519 -2.688 -5.985 1.00 0.00 N ATOM 1700 CA GLU 2 56 -1.781 -3.882 -5.608 1.00 0.00 C ATOM 1701 C GLU 2 56 -1.330 -3.788 -4.150 1.00 0.00 C ATOM 1702 O GLU 2 56 -0.532 -4.604 -3.689 1.00 0.00 O ATOM 1703 CB GLU 2 56 -0.586 -4.104 -6.538 1.00 0.00 C ATOM 1704 CG GLU 2 56 -1.021 -4.799 -7.831 1.00 0.00 C ATOM 1705 CD GLU 2 56 -1.513 -3.780 -8.861 1.00 0.00 C ATOM 1706 OE1 GLU 2 56 -0.910 -2.687 -8.912 1.00 0.00 O ATOM 1707 OE2 GLU 2 56 -2.483 -4.119 -9.575 1.00 0.00 O ATOM 0 H GLU 2 56 -2.095 -1.811 -5.683 1.00 0.00 H new ATOM 0 HA GLU 2 56 -2.443 -4.742 -5.709 1.00 0.00 H new ATOM 0 HB2 GLU 2 56 -0.121 -3.147 -6.774 1.00 0.00 H new ATOM 0 HB3 GLU 2 56 0.167 -4.708 -6.031 1.00 0.00 H new ATOM 0 HG2 GLU 2 56 -0.185 -5.364 -8.243 1.00 0.00 H new ATOM 0 HG3 GLU 2 56 -1.814 -5.515 -7.615 1.00 0.00 H new ATOM 1714 N CYS 2 57 -1.859 -2.786 -3.463 1.00 0.00 N ATOM 1715 CA CYS 2 57 -1.520 -2.575 -2.066 1.00 0.00 C ATOM 1716 C CYS 2 57 -2.433 -3.456 -1.212 1.00 0.00 C ATOM 1717 O CYS 2 57 -1.957 -4.302 -0.457 1.00 0.00 O ATOM 1718 CB CYS 2 57 -1.622 -1.099 -1.675 1.00 0.00 C ATOM 1719 SG CYS 2 57 -0.185 -0.448 -0.749 1.00 0.00 S ATOM 0 H CYS 2 57 -2.520 -2.111 -3.848 1.00 0.00 H new ATOM 0 HA CYS 2 57 -0.481 -2.857 -1.895 1.00 0.00 H new ATOM 0 HB2 CYS 2 57 -1.751 -0.506 -2.580 1.00 0.00 H new ATOM 0 HB3 CYS 2 57 -2.519 -0.959 -1.071 1.00 0.00 H new ATOM 1724 N THR 2 58 -3.730 -3.227 -1.359 1.00 0.00 N ATOM 1725 CA THR 2 58 -4.715 -3.990 -0.611 1.00 0.00 C ATOM 1726 C THR 2 58 -4.422 -5.488 -0.715 1.00 0.00 C ATOM 1727 O THR 2 58 -4.538 -6.217 0.268 1.00 0.00 O ATOM 1728 CB THR 2 58 -6.103 -3.604 -1.126 1.00 0.00 C ATOM 1729 OG1 THR 2 58 -6.998 -4.214 -0.200 1.00 0.00 O ATOM 1730 CG2 THR 2 58 -6.437 -4.270 -2.462 1.00 0.00 C ATOM 0 H THR 2 58 -4.122 -2.524 -1.985 1.00 0.00 H new ATOM 0 HA THR 2 58 -4.671 -3.756 0.453 1.00 0.00 H new ATOM 0 HB THR 2 58 -6.162 -2.521 -1.236 1.00 0.00 H new ATOM 0 HG1 THR 2 58 -7.922 -4.013 -0.458 1.00 0.00 H new ATOM 0 HG21 THR 2 58 -7.432 -3.963 -2.783 1.00 0.00 H new ATOM 0 HG22 THR 2 58 -5.705 -3.969 -3.212 1.00 0.00 H new ATOM 0 HG23 THR 2 58 -6.412 -5.353 -2.345 1.00 0.00 H new ATOM 1738 N PHE 2 59 -4.048 -5.901 -1.917 1.00 0.00 N ATOM 1739 CA PHE 2 59 -3.737 -7.299 -2.165 1.00 0.00 C ATOM 1740 C PHE 2 59 -2.505 -7.737 -1.368 1.00 0.00 C ATOM 1741 O PHE 2 59 -1.760 -8.612 -1.803 1.00 0.00 O ATOM 1742 CB PHE 2 59 -3.438 -7.433 -3.658 1.00 0.00 C ATOM 1743 CG PHE 2 59 -4.659 -7.789 -4.508 1.00 0.00 C ATOM 1744 CD1 PHE 2 59 -5.700 -6.918 -4.599 1.00 0.00 C ATOM 1745 CD2 PHE 2 59 -4.704 -8.974 -5.173 1.00 0.00 C ATOM 1746 CE1 PHE 2 59 -6.834 -7.247 -5.388 1.00 0.00 C ATOM 1747 CE2 PHE 2 59 -5.838 -9.303 -5.962 1.00 0.00 C ATOM 1748 CZ PHE 2 59 -6.879 -8.432 -6.053 1.00 0.00 C ATOM 0 H PHE 2 59 -3.953 -5.292 -2.730 1.00 0.00 H new ATOM 0 HA PHE 2 59 -4.575 -7.926 -1.860 1.00 0.00 H new ATOM 0 HB2 PHE 2 59 -3.018 -6.494 -4.019 1.00 0.00 H new ATOM 0 HB3 PHE 2 59 -2.675 -8.199 -3.798 1.00 0.00 H new ATOM 0 HD1 PHE 2 59 -5.664 -5.976 -4.071 1.00 0.00 H new ATOM 0 HD2 PHE 2 59 -3.877 -9.665 -5.101 1.00 0.00 H new ATOM 0 HE1 PHE 2 59 -7.661 -6.556 -5.460 1.00 0.00 H new ATOM 0 HE2 PHE 2 59 -5.874 -10.245 -6.490 1.00 0.00 H new ATOM 0 HZ PHE 2 59 -7.741 -8.682 -6.653 1.00 0.00 H new TER 1758 PHE 2 59