USER MOD reduce.3.24.130724 H: found=0, std=0, add=846, rem=0, adj=16 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 Single : 1 1 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 3 TYR OH : rot 180:sc= 0 USER MOD Single : 1 7 SER OG : rot 107:sc= 0.683 USER MOD Single : 1 9 ASN : amide:sc= -0.183 X(o=-0.18,f=-0.012) USER MOD Single : 1 10 GLN : amide:sc= -23.3! C(o=-23!,f=-24!) USER MOD Single : 1 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 23 TYR OH : rot 50:sc= -2.56 USER MOD Single : 1 25 HIS : no HD1:sc= -0.139 X(o=-0.14,f=-0.022) USER MOD Single : 1 27 THR OG1 : rot 60:sc= 0.0579 USER MOD Single : 1 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 32 ASN : amide:sc= -2.69 K(o=-2.7,f=-0.42) USER MOD Single : 1 33 ASN : amide:sc= -0.101 K(o=-0.1,f=-2!) USER MOD Single : 1 40 SER OG : rot 94:sc= 0.284 USER MOD Single : 1 50 LYS NZ :NH3+ -154:sc= -1.24 (180deg=-2.12!) USER MOD Single : 1 53 GLN : amide:sc= -9.88! C(o=-9.9!,f=-15!) USER MOD Single : 1 58 THR OG1 : rot -136:sc= -0.939 USER MOD Single : 2 1 GLU N :NH3+ 138:sc= 0.478 (180deg=0.00976) USER MOD Single : 2 3 TYR OH : rot 180:sc= -0.0952 USER MOD Single : 2 7 SER OG : rot -75:sc= 0.452 USER MOD Single : 2 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : 2 10 GLN : amide:sc= -9.08! C(o=-9.1!,f=-6.9!) USER MOD Single : 2 16 LYS NZ :NH3+ 147:sc= 0.69 (180deg=-0.0901) USER MOD Single : 2 23 TYR OH : rot -146:sc= -1.14 USER MOD Single : 2 25 HIS : no HD1:sc= -0.494 X(o=-0.49,f=-0.24) USER MOD Single : 2 27 THR OG1 : rot 180:sc= -0.0483 USER MOD Single : 2 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 2 32 ASN : amide:sc= -1.26 K(o=-1.3,f=-0.098) USER MOD Single : 2 33 ASN : amide:sc= -0.143 K(o=-0.14,f=-2.5!) USER MOD Single : 2 40 SER OG : rot 180:sc= -0.0355 USER MOD Single : 2 50 LYS NZ :NH3+ -163:sc= -3.48! (180deg=-4.45!) USER MOD Single : 2 53 GLN : amide:sc= -15.8! C(o=-16!,f=-24!) USER MOD Single : 2 58 THR OG1 : rot 180:sc= -1.19 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU 1 1 -17.011 -13.009 -2.612 1.00 0.00 N ATOM 2 CA GLU 1 1 -15.658 -12.552 -2.876 1.00 0.00 C ATOM 3 C GLU 1 1 -15.401 -11.217 -2.174 1.00 0.00 C ATOM 4 O GLU 1 1 -15.018 -10.239 -2.814 1.00 0.00 O ATOM 5 CB GLU 1 1 -15.401 -12.438 -4.380 1.00 0.00 C ATOM 6 CG GLU 1 1 -14.894 -13.764 -4.952 1.00 0.00 C ATOM 7 CD GLU 1 1 -15.650 -14.134 -6.230 1.00 0.00 C ATOM 8 OE1 GLU 1 1 -16.892 -14.242 -6.145 1.00 0.00 O ATOM 9 OE2 GLU 1 1 -14.968 -14.301 -7.265 1.00 0.00 O ATOM 0 H1 GLU 1 1 -17.171 -13.916 -3.095 1.00 0.00 H new ATOM 0 H2 GLU 1 1 -17.142 -13.134 -1.588 1.00 0.00 H new ATOM 0 H3 GLU 1 1 -17.690 -12.305 -2.964 1.00 0.00 H new ATOM 0 HA GLU 1 1 -14.963 -13.290 -2.476 1.00 0.00 H new ATOM 0 HB2 GLU 1 1 -16.320 -12.146 -4.888 1.00 0.00 H new ATOM 0 HB3 GLU 1 1 -14.669 -11.653 -4.569 1.00 0.00 H new ATOM 0 HG2 GLU 1 1 -13.828 -13.688 -5.165 1.00 0.00 H new ATOM 0 HG3 GLU 1 1 -15.016 -14.554 -4.211 1.00 0.00 H new ATOM 16 N GLU 1 2 -15.624 -11.219 -0.868 1.00 0.00 N ATOM 17 CA GLU 1 2 -15.422 -10.021 -0.072 1.00 0.00 C ATOM 18 C GLU 1 2 -13.994 -9.982 0.476 1.00 0.00 C ATOM 19 O GLU 1 2 -13.050 -10.365 -0.214 1.00 0.00 O ATOM 20 CB GLU 1 2 -16.446 -9.937 1.062 1.00 0.00 C ATOM 21 CG GLU 1 2 -17.010 -8.520 1.186 1.00 0.00 C ATOM 22 CD GLU 1 2 -15.895 -7.509 1.458 1.00 0.00 C ATOM 23 OE1 GLU 1 2 -15.110 -7.261 0.517 1.00 0.00 O ATOM 24 OE2 GLU 1 2 -15.852 -7.005 2.601 1.00 0.00 O ATOM 0 H GLU 1 2 -15.943 -12.032 -0.341 1.00 0.00 H new ATOM 0 HA GLU 1 2 -15.568 -9.153 -0.715 1.00 0.00 H new ATOM 0 HB2 GLU 1 2 -17.258 -10.641 0.877 1.00 0.00 H new ATOM 0 HB3 GLU 1 2 -15.978 -10.230 2.002 1.00 0.00 H new ATOM 0 HG2 GLU 1 2 -17.534 -8.251 0.269 1.00 0.00 H new ATOM 0 HG3 GLU 1 2 -17.742 -8.485 1.993 1.00 0.00 H new ATOM 31 N TYR 1 3 -13.880 -9.517 1.711 1.00 0.00 N ATOM 32 CA TYR 1 3 -12.583 -9.423 2.360 1.00 0.00 C ATOM 33 C TYR 1 3 -12.078 -10.805 2.779 1.00 0.00 C ATOM 34 O TYR 1 3 -12.074 -11.135 3.964 1.00 0.00 O ATOM 35 CB TYR 1 3 -12.798 -8.571 3.612 1.00 0.00 C ATOM 36 CG TYR 1 3 -14.067 -8.919 4.391 1.00 0.00 C ATOM 37 CD1 TYR 1 3 -14.644 -10.166 4.250 1.00 0.00 C ATOM 38 CD2 TYR 1 3 -14.636 -7.988 5.236 1.00 0.00 C ATOM 39 CE1 TYR 1 3 -15.838 -10.493 4.984 1.00 0.00 C ATOM 40 CE2 TYR 1 3 -15.830 -8.316 5.971 1.00 0.00 C ATOM 41 CZ TYR 1 3 -16.372 -9.552 5.808 1.00 0.00 C ATOM 42 OH TYR 1 3 -17.501 -9.863 6.501 1.00 0.00 O ATOM 0 H TYR 1 3 -14.665 -9.201 2.280 1.00 0.00 H new ATOM 0 HA TYR 1 3 -11.846 -8.992 1.683 1.00 0.00 H new ATOM 0 HB2 TYR 1 3 -11.937 -8.687 4.270 1.00 0.00 H new ATOM 0 HB3 TYR 1 3 -12.839 -7.521 3.322 1.00 0.00 H new ATOM 0 HD1 TYR 1 3 -14.199 -10.895 3.589 1.00 0.00 H new ATOM 0 HD2 TYR 1 3 -14.185 -7.013 5.346 1.00 0.00 H new ATOM 0 HE1 TYR 1 3 -16.300 -11.464 4.883 1.00 0.00 H new ATOM 0 HE2 TYR 1 3 -16.284 -7.597 6.636 1.00 0.00 H new ATOM 0 HH TYR 1 3 -17.769 -9.097 7.050 1.00 0.00 H new ATOM 52 N VAL 1 4 -11.665 -11.576 1.783 1.00 0.00 N ATOM 53 CA VAL 1 4 -11.160 -12.915 2.034 1.00 0.00 C ATOM 54 C VAL 1 4 -9.778 -13.062 1.393 1.00 0.00 C ATOM 55 O VAL 1 4 -8.783 -13.255 2.091 1.00 0.00 O ATOM 56 CB VAL 1 4 -12.164 -13.956 1.535 1.00 0.00 C ATOM 57 CG1 VAL 1 4 -13.081 -13.363 0.462 1.00 0.00 C ATOM 58 CG2 VAL 1 4 -11.448 -15.203 1.015 1.00 0.00 C ATOM 0 H VAL 1 4 -11.670 -11.299 0.801 1.00 0.00 H new ATOM 0 HA VAL 1 4 -11.042 -13.084 3.104 1.00 0.00 H new ATOM 0 HB VAL 1 4 -12.785 -14.254 2.380 1.00 0.00 H new ATOM 0 HG11 VAL 1 4 -13.785 -14.123 0.124 1.00 0.00 H new ATOM 0 HG12 VAL 1 4 -13.631 -12.519 0.879 1.00 0.00 H new ATOM 0 HG13 VAL 1 4 -12.481 -13.024 -0.382 1.00 0.00 H new ATOM 0 HG21 VAL 1 4 -12.185 -15.927 0.667 1.00 0.00 H new ATOM 0 HG22 VAL 1 4 -10.791 -14.928 0.190 1.00 0.00 H new ATOM 0 HG23 VAL 1 4 -10.857 -15.644 1.817 1.00 0.00 H new ATOM 68 N GLY 1 5 -9.760 -12.965 0.071 1.00 0.00 N ATOM 69 CA GLY 1 5 -8.518 -13.085 -0.671 1.00 0.00 C ATOM 70 C GLY 1 5 -7.593 -11.899 -0.388 1.00 0.00 C ATOM 71 O GLY 1 5 -6.517 -11.792 -0.974 1.00 0.00 O ATOM 0 H GLY 1 5 -10.587 -12.805 -0.504 1.00 0.00 H new ATOM 0 HA2 GLY 1 5 -8.017 -14.014 -0.400 1.00 0.00 H new ATOM 0 HA3 GLY 1 5 -8.732 -13.137 -1.739 1.00 0.00 H new ATOM 75 N LEU 1 6 -8.047 -11.037 0.511 1.00 0.00 N ATOM 76 CA LEU 1 6 -7.275 -9.864 0.878 1.00 0.00 C ATOM 77 C LEU 1 6 -7.619 -9.460 2.313 1.00 0.00 C ATOM 78 O LEU 1 6 -7.425 -8.310 2.702 1.00 0.00 O ATOM 79 CB LEU 1 6 -7.484 -8.742 -0.142 1.00 0.00 C ATOM 80 CG LEU 1 6 -8.928 -8.274 -0.336 1.00 0.00 C ATOM 81 CD1 LEU 1 6 -9.790 -9.387 -0.934 1.00 0.00 C ATOM 82 CD2 LEU 1 6 -9.511 -7.738 0.974 1.00 0.00 C ATOM 0 H LEU 1 6 -8.940 -11.129 0.995 1.00 0.00 H new ATOM 0 HA LEU 1 6 -6.209 -10.089 0.856 1.00 0.00 H new ATOM 0 HB2 LEU 1 6 -6.883 -7.885 0.161 1.00 0.00 H new ATOM 0 HB3 LEU 1 6 -7.099 -9.077 -1.105 1.00 0.00 H new ATOM 0 HG LEU 1 6 -8.927 -7.450 -1.049 1.00 0.00 H new ATOM 0 HD11 LEU 1 6 -10.811 -9.028 -1.061 1.00 0.00 H new ATOM 0 HD12 LEU 1 6 -9.385 -9.680 -1.903 1.00 0.00 H new ATOM 0 HD13 LEU 1 6 -9.789 -10.247 -0.265 1.00 0.00 H new ATOM 0 HD21 LEU 1 6 -10.538 -7.412 0.809 1.00 0.00 H new ATOM 0 HD22 LEU 1 6 -9.497 -8.525 1.728 1.00 0.00 H new ATOM 0 HD23 LEU 1 6 -8.914 -6.894 1.320 1.00 0.00 H new ATOM 94 N SER 1 7 -8.123 -10.431 3.062 1.00 0.00 N ATOM 95 CA SER 1 7 -8.495 -10.193 4.445 1.00 0.00 C ATOM 96 C SER 1 7 -7.239 -10.052 5.310 1.00 0.00 C ATOM 97 O SER 1 7 -6.123 -10.191 4.813 1.00 0.00 O ATOM 98 CB SER 1 7 -9.383 -11.318 4.979 1.00 0.00 C ATOM 99 OG SER 1 7 -10.262 -10.864 6.005 1.00 0.00 O ATOM 0 H SER 1 7 -8.282 -11.384 2.736 1.00 0.00 H new ATOM 0 HA SER 1 7 -9.065 -9.265 4.489 1.00 0.00 H new ATOM 0 HB2 SER 1 7 -9.968 -11.738 4.160 1.00 0.00 H new ATOM 0 HB3 SER 1 7 -8.756 -12.121 5.368 1.00 0.00 H new ATOM 0 HG SER 1 7 -11.177 -10.818 5.656 1.00 0.00 H new ATOM 105 N ALA 1 8 -7.465 -9.780 6.586 1.00 0.00 N ATOM 106 CA ALA 1 8 -6.366 -9.621 7.523 1.00 0.00 C ATOM 107 C ALA 1 8 -5.636 -10.956 7.679 1.00 0.00 C ATOM 108 O ALA 1 8 -4.537 -11.006 8.228 1.00 0.00 O ATOM 109 CB ALA 1 8 -6.903 -9.090 8.854 1.00 0.00 C ATOM 0 H ALA 1 8 -8.393 -9.666 6.994 1.00 0.00 H new ATOM 0 HA ALA 1 8 -5.645 -8.894 7.149 1.00 0.00 H new ATOM 0 HB1 ALA 1 8 -6.079 -8.971 9.557 1.00 0.00 H new ATOM 0 HB2 ALA 1 8 -7.385 -8.126 8.693 1.00 0.00 H new ATOM 0 HB3 ALA 1 8 -7.628 -9.795 9.261 1.00 0.00 H new ATOM 115 N ASN 1 9 -6.278 -12.005 7.186 1.00 0.00 N ATOM 116 CA ASN 1 9 -5.704 -13.338 7.264 1.00 0.00 C ATOM 117 C ASN 1 9 -4.869 -13.603 6.009 1.00 0.00 C ATOM 118 O ASN 1 9 -4.172 -14.612 5.926 1.00 0.00 O ATOM 119 CB ASN 1 9 -6.797 -14.405 7.339 1.00 0.00 C ATOM 120 CG ASN 1 9 -6.433 -15.492 8.353 1.00 0.00 C ATOM 121 OD1 ASN 1 9 -7.093 -15.683 9.361 1.00 0.00 O ATOM 122 ND2 ASN 1 9 -5.349 -16.192 8.030 1.00 0.00 N ATOM 0 H ASN 1 9 -7.190 -11.959 6.731 1.00 0.00 H new ATOM 0 HA ASN 1 9 -5.089 -13.388 8.163 1.00 0.00 H new ATOM 0 HB2 ASN 1 9 -7.743 -13.942 7.620 1.00 0.00 H new ATOM 0 HB3 ASN 1 9 -6.941 -14.853 6.356 1.00 0.00 H new ATOM 0 HD21 ASN 1 9 -5.024 -16.941 8.642 1.00 0.00 H new ATOM 0 HD22 ASN 1 9 -4.842 -15.980 7.170 1.00 0.00 H new ATOM 129 N GLN 1 10 -4.968 -12.679 5.066 1.00 0.00 N ATOM 130 CA GLN 1 10 -4.231 -12.800 3.819 1.00 0.00 C ATOM 131 C GLN 1 10 -2.728 -12.698 4.080 1.00 0.00 C ATOM 132 O GLN 1 10 -1.936 -13.397 3.449 1.00 0.00 O ATOM 133 CB GLN 1 10 -4.685 -11.745 2.809 1.00 0.00 C ATOM 134 CG GLN 1 10 -3.745 -10.539 2.816 1.00 0.00 C ATOM 135 CD GLN 1 10 -4.193 -9.487 1.799 1.00 0.00 C ATOM 136 OE1 GLN 1 10 -5.100 -8.706 2.034 1.00 0.00 O ATOM 137 NE2 GLN 1 10 -3.509 -9.511 0.658 1.00 0.00 N ATOM 0 H GLN 1 10 -5.547 -11.843 5.140 1.00 0.00 H new ATOM 0 HA GLN 1 10 -4.440 -13.780 3.389 1.00 0.00 H new ATOM 0 HB2 GLN 1 10 -4.715 -12.181 1.811 1.00 0.00 H new ATOM 0 HB3 GLN 1 10 -5.699 -11.422 3.046 1.00 0.00 H new ATOM 0 HG2 GLN 1 10 -3.720 -10.099 3.813 1.00 0.00 H new ATOM 0 HG3 GLN 1 10 -2.730 -10.863 2.586 1.00 0.00 H new ATOM 0 HE21 GLN 1 10 -2.761 -10.192 0.526 1.00 0.00 H new ATOM 0 HE22 GLN 1 10 -3.733 -8.849 -0.085 1.00 0.00 H new ATOM 146 N CYS 1 11 -2.379 -11.822 5.010 1.00 0.00 N ATOM 147 CA CYS 1 11 -0.984 -11.620 5.362 1.00 0.00 C ATOM 148 C CYS 1 11 -0.439 -12.927 5.941 1.00 0.00 C ATOM 149 O CYS 1 11 0.762 -13.057 6.169 1.00 0.00 O ATOM 150 CB CYS 1 11 -0.809 -10.450 6.333 1.00 0.00 C ATOM 151 SG CYS 1 11 0.889 -10.239 6.983 1.00 0.00 S ATOM 0 H CYS 1 11 -3.038 -11.244 5.531 1.00 0.00 H new ATOM 0 HA CYS 1 11 -0.417 -11.355 4.470 1.00 0.00 H new ATOM 0 HB2 CYS 1 11 -1.107 -9.530 5.829 1.00 0.00 H new ATOM 0 HB3 CYS 1 11 -1.490 -10.588 7.173 1.00 0.00 H new ATOM 156 N ALA 1 12 -1.350 -13.864 6.161 1.00 0.00 N ATOM 157 CA ALA 1 12 -0.976 -15.157 6.708 1.00 0.00 C ATOM 158 C ALA 1 12 -0.855 -16.172 5.570 1.00 0.00 C ATOM 159 O ALA 1 12 -0.809 -17.377 5.810 1.00 0.00 O ATOM 160 CB ALA 1 12 -2.002 -15.582 7.760 1.00 0.00 C ATOM 0 H ALA 1 12 -2.346 -13.753 5.970 1.00 0.00 H new ATOM 0 HA ALA 1 12 -0.006 -15.098 7.202 1.00 0.00 H new ATOM 0 HB1 ALA 1 12 -1.722 -16.552 8.171 1.00 0.00 H new ATOM 0 HB2 ALA 1 12 -2.029 -14.843 8.561 1.00 0.00 H new ATOM 0 HB3 ALA 1 12 -2.987 -15.654 7.299 1.00 0.00 H new ATOM 166 N VAL 1 13 -0.806 -15.646 4.354 1.00 0.00 N ATOM 167 CA VAL 1 13 -0.690 -16.492 3.177 1.00 0.00 C ATOM 168 C VAL 1 13 0.246 -17.662 3.486 1.00 0.00 C ATOM 169 O VAL 1 13 1.047 -17.593 4.417 1.00 0.00 O ATOM 170 CB VAL 1 13 -0.232 -15.659 1.979 1.00 0.00 C ATOM 171 CG1 VAL 1 13 1.065 -16.215 1.389 1.00 0.00 C ATOM 172 CG2 VAL 1 13 -1.328 -15.581 0.914 1.00 0.00 C ATOM 0 H VAL 1 13 -0.844 -14.646 4.158 1.00 0.00 H new ATOM 0 HA VAL 1 13 -1.659 -16.914 2.911 1.00 0.00 H new ATOM 0 HB VAL 1 13 -0.034 -14.647 2.331 1.00 0.00 H new ATOM 0 HG11 VAL 1 13 1.369 -15.605 0.539 1.00 0.00 H new ATOM 0 HG12 VAL 1 13 1.847 -16.196 2.148 1.00 0.00 H new ATOM 0 HG13 VAL 1 13 0.904 -17.242 1.060 1.00 0.00 H new ATOM 0 HG21 VAL 1 13 -0.976 -14.983 0.073 1.00 0.00 H new ATOM 0 HG22 VAL 1 13 -1.571 -16.586 0.568 1.00 0.00 H new ATOM 0 HG23 VAL 1 13 -2.218 -15.119 1.341 1.00 0.00 H new ATOM 182 N PRO 1 14 0.109 -18.738 2.665 1.00 0.00 N ATOM 183 CA PRO 1 14 0.933 -19.922 2.841 1.00 0.00 C ATOM 184 C PRO 1 14 2.359 -19.677 2.341 1.00 0.00 C ATOM 185 O PRO 1 14 3.022 -20.601 1.872 1.00 0.00 O ATOM 186 CB PRO 1 14 0.214 -21.019 2.072 1.00 0.00 C ATOM 187 CG PRO 1 14 -0.730 -20.308 1.116 1.00 0.00 C ATOM 188 CD PRO 1 14 -0.829 -18.855 1.553 1.00 0.00 C ATOM 0 HA PRO 1 14 1.052 -20.200 3.888 1.00 0.00 H new ATOM 0 HB2 PRO 1 14 0.923 -21.644 1.528 1.00 0.00 H new ATOM 0 HB3 PRO 1 14 -0.335 -21.674 2.748 1.00 0.00 H new ATOM 0 HG2 PRO 1 14 -0.359 -20.375 0.093 1.00 0.00 H new ATOM 0 HG3 PRO 1 14 -1.713 -20.779 1.130 1.00 0.00 H new ATOM 0 HD2 PRO 1 14 -0.566 -18.178 0.740 1.00 0.00 H new ATOM 0 HD3 PRO 1 14 -1.843 -18.603 1.862 1.00 0.00 H new ATOM 196 N ALA 1 15 2.786 -18.429 2.457 1.00 0.00 N ATOM 197 CA ALA 1 15 4.120 -18.051 2.023 1.00 0.00 C ATOM 198 C ALA 1 15 4.344 -18.541 0.592 1.00 0.00 C ATOM 199 O ALA 1 15 5.145 -19.446 0.359 1.00 0.00 O ATOM 200 CB ALA 1 15 5.155 -18.615 3.000 1.00 0.00 C ATOM 0 H ALA 1 15 2.232 -17.666 2.845 1.00 0.00 H new ATOM 0 HA ALA 1 15 4.229 -16.966 2.022 1.00 0.00 H new ATOM 0 HB1 ALA 1 15 6.156 -18.331 2.674 1.00 0.00 H new ATOM 0 HB2 ALA 1 15 4.971 -18.214 3.997 1.00 0.00 H new ATOM 0 HB3 ALA 1 15 5.077 -19.702 3.026 1.00 0.00 H new ATOM 206 N LYS 1 16 3.622 -17.923 -0.331 1.00 0.00 N ATOM 207 CA LYS 1 16 3.730 -18.285 -1.734 1.00 0.00 C ATOM 208 C LYS 1 16 2.528 -17.726 -2.496 1.00 0.00 C ATOM 209 O LYS 1 16 1.957 -18.406 -3.346 1.00 0.00 O ATOM 210 CB LYS 1 16 3.905 -19.798 -1.885 1.00 0.00 C ATOM 211 CG LYS 1 16 3.072 -20.552 -0.846 1.00 0.00 C ATOM 212 CD LYS 1 16 2.182 -21.602 -1.513 1.00 0.00 C ATOM 213 CE LYS 1 16 2.964 -22.887 -1.792 1.00 0.00 C ATOM 214 NZ LYS 1 16 2.154 -24.074 -1.439 1.00 0.00 N ATOM 0 H LYS 1 16 2.959 -17.173 -0.134 1.00 0.00 H new ATOM 0 HA LYS 1 16 4.621 -17.838 -2.174 1.00 0.00 H new ATOM 0 HB2 LYS 1 16 3.606 -20.104 -2.888 1.00 0.00 H new ATOM 0 HB3 LYS 1 16 4.957 -20.059 -1.772 1.00 0.00 H new ATOM 0 HG2 LYS 1 16 3.733 -21.035 -0.126 1.00 0.00 H new ATOM 0 HG3 LYS 1 16 2.454 -19.847 -0.289 1.00 0.00 H new ATOM 0 HD2 LYS 1 16 1.330 -21.823 -0.870 1.00 0.00 H new ATOM 0 HD3 LYS 1 16 1.783 -21.205 -2.446 1.00 0.00 H new ATOM 0 HE2 LYS 1 16 3.242 -22.929 -2.845 1.00 0.00 H new ATOM 0 HE3 LYS 1 16 3.890 -22.888 -1.218 1.00 0.00 H new ATOM 0 HZ1 LYS 1 16 2.700 -24.937 -1.635 1.00 0.00 H new ATOM 0 HZ2 LYS 1 16 1.910 -24.040 -0.429 1.00 0.00 H new ATOM 0 HZ3 LYS 1 16 1.282 -24.080 -2.005 1.00 0.00 H new ATOM 228 N ASP 1 17 2.179 -16.491 -2.164 1.00 0.00 N ATOM 229 CA ASP 1 17 1.055 -15.833 -2.806 1.00 0.00 C ATOM 230 C ASP 1 17 1.157 -14.323 -2.580 1.00 0.00 C ATOM 231 O ASP 1 17 0.204 -13.588 -2.836 1.00 0.00 O ATOM 232 CB ASP 1 17 -0.274 -16.310 -2.217 1.00 0.00 C ATOM 233 CG ASP 1 17 -1.509 -15.992 -3.062 1.00 0.00 C ATOM 234 OD1 ASP 1 17 -1.321 -15.364 -4.127 1.00 0.00 O ATOM 235 OD2 ASP 1 17 -2.612 -16.383 -2.625 1.00 0.00 O ATOM 0 H ASP 1 17 2.656 -15.929 -1.458 1.00 0.00 H new ATOM 0 HA ASP 1 17 1.085 -16.075 -3.868 1.00 0.00 H new ATOM 0 HB2 ASP 1 17 -0.222 -17.389 -2.069 1.00 0.00 H new ATOM 0 HB3 ASP 1 17 -0.400 -15.859 -1.233 1.00 0.00 H new ATOM 240 N ARG 1 18 2.320 -13.906 -2.103 1.00 0.00 N ATOM 241 CA ARG 1 18 2.559 -12.497 -1.839 1.00 0.00 C ATOM 242 C ARG 1 18 3.168 -11.822 -3.070 1.00 0.00 C ATOM 243 O ARG 1 18 3.568 -12.497 -4.018 1.00 0.00 O ATOM 244 CB ARG 1 18 3.499 -12.311 -0.646 1.00 0.00 C ATOM 245 CG ARG 1 18 3.092 -13.218 0.518 1.00 0.00 C ATOM 246 CD ARG 1 18 4.324 -13.772 1.237 1.00 0.00 C ATOM 247 NE ARG 1 18 3.933 -14.336 2.548 1.00 0.00 N ATOM 248 CZ ARG 1 18 4.778 -14.506 3.575 1.00 0.00 C ATOM 249 NH1 ARG 1 18 6.065 -14.155 3.448 1.00 0.00 N ATOM 250 NH2 ARG 1 18 4.335 -15.025 4.728 1.00 0.00 N ATOM 0 H ARG 1 18 3.108 -14.519 -1.892 1.00 0.00 H new ATOM 0 HA ARG 1 18 1.599 -12.036 -1.605 1.00 0.00 H new ATOM 0 HB2 ARG 1 18 4.523 -12.535 -0.946 1.00 0.00 H new ATOM 0 HB3 ARG 1 18 3.482 -11.270 -0.324 1.00 0.00 H new ATOM 0 HG2 ARG 1 18 2.476 -12.658 1.222 1.00 0.00 H new ATOM 0 HG3 ARG 1 18 2.482 -14.042 0.146 1.00 0.00 H new ATOM 0 HD2 ARG 1 18 4.796 -14.542 0.627 1.00 0.00 H new ATOM 0 HD3 ARG 1 18 5.060 -12.981 1.377 1.00 0.00 H new ATOM 0 HE ARG 1 18 2.960 -14.613 2.679 1.00 0.00 H new ATOM 0 HH11 ARG 1 18 6.401 -13.759 2.570 1.00 0.00 H new ATOM 0 HH12 ARG 1 18 6.708 -14.284 4.229 1.00 0.00 H new ATOM 0 HH21 ARG 1 18 3.355 -15.291 4.824 1.00 0.00 H new ATOM 0 HH22 ARG 1 18 4.978 -15.154 5.509 1.00 0.00 H new ATOM 264 N VAL 1 19 3.221 -10.500 -3.015 1.00 0.00 N ATOM 265 CA VAL 1 19 3.776 -9.726 -4.113 1.00 0.00 C ATOM 266 C VAL 1 19 5.225 -9.356 -3.789 1.00 0.00 C ATOM 267 O VAL 1 19 5.761 -8.395 -4.339 1.00 0.00 O ATOM 268 CB VAL 1 19 2.895 -8.507 -4.391 1.00 0.00 C ATOM 269 CG1 VAL 1 19 3.281 -7.842 -5.714 1.00 0.00 C ATOM 270 CG2 VAL 1 19 1.413 -8.887 -4.381 1.00 0.00 C ATOM 0 H VAL 1 19 2.889 -9.944 -2.227 1.00 0.00 H new ATOM 0 HA VAL 1 19 3.789 -10.317 -5.029 1.00 0.00 H new ATOM 0 HB VAL 1 19 3.061 -7.785 -3.591 1.00 0.00 H new ATOM 0 HG11 VAL 1 19 2.639 -6.978 -5.888 1.00 0.00 H new ATOM 0 HG12 VAL 1 19 4.321 -7.518 -5.669 1.00 0.00 H new ATOM 0 HG13 VAL 1 19 3.158 -8.555 -6.529 1.00 0.00 H new ATOM 0 HG21 VAL 1 19 0.809 -8.002 -4.581 1.00 0.00 H new ATOM 0 HG22 VAL 1 19 1.224 -9.637 -5.150 1.00 0.00 H new ATOM 0 HG23 VAL 1 19 1.148 -9.294 -3.405 1.00 0.00 H new ATOM 280 N ASP 1 20 5.817 -10.137 -2.898 1.00 0.00 N ATOM 281 CA ASP 1 20 7.193 -9.904 -2.495 1.00 0.00 C ATOM 282 C ASP 1 20 7.522 -8.418 -2.658 1.00 0.00 C ATOM 283 O ASP 1 20 8.054 -8.005 -3.688 1.00 0.00 O ATOM 284 CB ASP 1 20 8.165 -10.701 -3.367 1.00 0.00 C ATOM 285 CG ASP 1 20 9.565 -10.097 -3.494 1.00 0.00 C ATOM 286 OD1 ASP 1 20 10.263 -10.056 -2.457 1.00 0.00 O ATOM 287 OD2 ASP 1 20 9.906 -9.687 -4.625 1.00 0.00 O ATOM 0 H ASP 1 20 5.369 -10.932 -2.443 1.00 0.00 H new ATOM 0 HA ASP 1 20 7.299 -10.219 -1.457 1.00 0.00 H new ATOM 0 HB2 ASP 1 20 8.256 -11.707 -2.957 1.00 0.00 H new ATOM 0 HB3 ASP 1 20 7.737 -10.800 -4.364 1.00 0.00 H new ATOM 292 N CYS 1 21 7.192 -7.655 -1.626 1.00 0.00 N ATOM 293 CA CYS 1 21 7.446 -6.224 -1.641 1.00 0.00 C ATOM 294 C CYS 1 21 8.890 -5.997 -2.090 1.00 0.00 C ATOM 295 O CYS 1 21 9.180 -5.035 -2.800 1.00 0.00 O ATOM 296 CB CYS 1 21 7.164 -5.585 -0.281 1.00 0.00 C ATOM 297 SG CYS 1 21 6.478 -3.890 -0.357 1.00 0.00 S ATOM 0 H CYS 1 21 6.751 -8.001 -0.774 1.00 0.00 H new ATOM 0 HA CYS 1 21 6.768 -5.739 -2.344 1.00 0.00 H new ATOM 0 HB2 CYS 1 21 6.467 -6.220 0.265 1.00 0.00 H new ATOM 0 HB3 CYS 1 21 8.090 -5.562 0.293 1.00 0.00 H new ATOM 302 N GLY 1 22 9.760 -6.900 -1.658 1.00 0.00 N ATOM 303 CA GLY 1 22 11.167 -6.810 -2.006 1.00 0.00 C ATOM 304 C GLY 1 22 11.729 -5.428 -1.666 1.00 0.00 C ATOM 305 O GLY 1 22 12.209 -4.715 -2.546 1.00 0.00 O ATOM 0 H GLY 1 22 9.516 -7.697 -1.070 1.00 0.00 H new ATOM 0 HA2 GLY 1 22 11.727 -7.576 -1.470 1.00 0.00 H new ATOM 0 HA3 GLY 1 22 11.295 -7.007 -3.070 1.00 0.00 H new ATOM 309 N TYR 1 23 11.651 -5.091 -0.388 1.00 0.00 N ATOM 310 CA TYR 1 23 12.145 -3.806 0.080 1.00 0.00 C ATOM 311 C TYR 1 23 13.611 -3.907 0.509 1.00 0.00 C ATOM 312 O TYR 1 23 14.018 -4.900 1.107 1.00 0.00 O ATOM 313 CB TYR 1 23 11.293 -3.443 1.297 1.00 0.00 C ATOM 314 CG TYR 1 23 10.420 -2.203 1.098 1.00 0.00 C ATOM 315 CD1 TYR 1 23 10.966 -0.944 1.251 1.00 0.00 C ATOM 316 CD2 TYR 1 23 9.088 -2.341 0.767 1.00 0.00 C ATOM 317 CE1 TYR 1 23 10.145 0.224 1.064 1.00 0.00 C ATOM 318 CE2 TYR 1 23 8.267 -1.173 0.580 1.00 0.00 C ATOM 319 CZ TYR 1 23 8.836 0.052 0.737 1.00 0.00 C ATOM 320 OH TYR 1 23 8.061 1.155 0.561 1.00 0.00 O ATOM 0 H TYR 1 23 11.253 -5.685 0.339 1.00 0.00 H new ATOM 0 HA TYR 1 23 12.081 -3.059 -0.711 1.00 0.00 H new ATOM 0 HB2 TYR 1 23 10.653 -4.290 1.545 1.00 0.00 H new ATOM 0 HB3 TYR 1 23 11.950 -3.279 2.151 1.00 0.00 H new ATOM 0 HD1 TYR 1 23 12.009 -0.835 1.511 1.00 0.00 H new ATOM 0 HD2 TYR 1 23 8.661 -3.326 0.648 1.00 0.00 H new ATOM 0 HE1 TYR 1 23 10.559 1.215 1.181 1.00 0.00 H new ATOM 0 HE2 TYR 1 23 7.223 -1.268 0.321 1.00 0.00 H new ATOM 0 HH TYR 1 23 8.512 1.778 -0.047 1.00 0.00 H new ATOM 330 N PRO 1 24 14.381 -2.836 0.176 1.00 0.00 N ATOM 331 CA PRO 1 24 15.792 -2.794 0.522 1.00 0.00 C ATOM 332 C PRO 1 24 15.984 -2.513 2.014 1.00 0.00 C ATOM 333 O PRO 1 24 17.101 -2.585 2.524 1.00 0.00 O ATOM 334 CB PRO 1 24 16.382 -1.711 -0.367 1.00 0.00 C ATOM 335 CG PRO 1 24 15.206 -0.872 -0.838 1.00 0.00 C ATOM 336 CD PRO 1 24 13.931 -1.642 -0.532 1.00 0.00 C ATOM 0 HA PRO 1 24 16.294 -3.747 0.355 1.00 0.00 H new ATOM 0 HB2 PRO 1 24 17.100 -1.103 0.183 1.00 0.00 H new ATOM 0 HB3 PRO 1 24 16.914 -2.147 -1.212 1.00 0.00 H new ATOM 0 HG2 PRO 1 24 15.199 0.094 -0.332 1.00 0.00 H new ATOM 0 HG3 PRO 1 24 15.284 -0.672 -1.907 1.00 0.00 H new ATOM 0 HD2 PRO 1 24 13.249 -1.052 0.080 1.00 0.00 H new ATOM 0 HD3 PRO 1 24 13.396 -1.901 -1.446 1.00 0.00 H new ATOM 344 N HIS 1 25 14.876 -2.201 2.671 1.00 0.00 N ATOM 345 CA HIS 1 25 14.909 -1.909 4.094 1.00 0.00 C ATOM 346 C HIS 1 25 13.879 -2.777 4.820 1.00 0.00 C ATOM 347 O HIS 1 25 13.306 -2.359 5.824 1.00 0.00 O ATOM 348 CB HIS 1 25 14.707 -0.414 4.347 1.00 0.00 C ATOM 349 CG HIS 1 25 15.682 0.180 5.335 1.00 0.00 C ATOM 350 ND1 HIS 1 25 16.088 1.502 5.286 1.00 0.00 N ATOM 351 CD2 HIS 1 25 16.327 -0.381 6.398 1.00 0.00 C ATOM 352 CE1 HIS 1 25 16.940 1.715 6.278 1.00 0.00 C ATOM 353 NE2 HIS 1 25 17.087 0.547 6.966 1.00 0.00 N ATOM 0 H HIS 1 25 13.951 -2.144 2.245 1.00 0.00 H new ATOM 0 HA HIS 1 25 15.891 -2.157 4.497 1.00 0.00 H new ATOM 0 HB2 HIS 1 25 14.795 0.119 3.400 1.00 0.00 H new ATOM 0 HB3 HIS 1 25 13.693 -0.252 4.711 1.00 0.00 H new ATOM 0 HD2 HIS 1 25 16.235 -1.407 6.723 1.00 0.00 H new ATOM 0 HE1 HIS 1 25 17.432 2.650 6.502 1.00 0.00 H new ATOM 0 HE2 HIS 1 25 17.683 0.409 7.782 1.00 0.00 H new ATOM 362 N VAL 1 26 13.676 -3.971 4.283 1.00 0.00 N ATOM 363 CA VAL 1 26 12.726 -4.903 4.866 1.00 0.00 C ATOM 364 C VAL 1 26 13.063 -5.110 6.343 1.00 0.00 C ATOM 365 O VAL 1 26 14.204 -5.414 6.688 1.00 0.00 O ATOM 366 CB VAL 1 26 12.714 -6.208 4.067 1.00 0.00 C ATOM 367 CG1 VAL 1 26 14.137 -6.652 3.721 1.00 0.00 C ATOM 368 CG2 VAL 1 26 11.966 -7.307 4.824 1.00 0.00 C ATOM 0 H VAL 1 26 14.154 -4.315 3.450 1.00 0.00 H new ATOM 0 HA VAL 1 26 11.715 -4.498 4.816 1.00 0.00 H new ATOM 0 HB VAL 1 26 12.184 -6.024 3.133 1.00 0.00 H new ATOM 0 HG11 VAL 1 26 14.100 -7.582 3.153 1.00 0.00 H new ATOM 0 HG12 VAL 1 26 14.624 -5.881 3.124 1.00 0.00 H new ATOM 0 HG13 VAL 1 26 14.702 -6.810 4.639 1.00 0.00 H new ATOM 0 HG21 VAL 1 26 11.972 -8.224 4.234 1.00 0.00 H new ATOM 0 HG22 VAL 1 26 12.456 -7.488 5.781 1.00 0.00 H new ATOM 0 HG23 VAL 1 26 10.936 -6.994 4.997 1.00 0.00 H new ATOM 378 N THR 1 27 12.049 -4.937 7.179 1.00 0.00 N ATOM 379 CA THR 1 27 12.223 -5.101 8.612 1.00 0.00 C ATOM 380 C THR 1 27 10.863 -5.162 9.311 1.00 0.00 C ATOM 381 O THR 1 27 9.886 -4.593 8.827 1.00 0.00 O ATOM 382 CB THR 1 27 13.113 -3.962 9.113 1.00 0.00 C ATOM 383 OG1 THR 1 27 14.274 -4.622 9.611 1.00 0.00 O ATOM 384 CG2 THR 1 27 12.529 -3.259 10.340 1.00 0.00 C ATOM 0 H THR 1 27 11.104 -4.685 6.891 1.00 0.00 H new ATOM 0 HA THR 1 27 12.716 -6.045 8.845 1.00 0.00 H new ATOM 0 HB THR 1 27 13.258 -3.236 8.313 1.00 0.00 H new ATOM 0 HG1 THR 1 27 14.699 -5.127 8.887 1.00 0.00 H new ATOM 0 HG21 THR 1 27 13.200 -2.459 10.655 1.00 0.00 H new ATOM 0 HG22 THR 1 27 11.555 -2.838 10.089 1.00 0.00 H new ATOM 0 HG23 THR 1 27 12.416 -3.978 11.152 1.00 0.00 H new ATOM 392 N PRO 1 28 10.844 -5.875 10.468 1.00 0.00 N ATOM 393 CA PRO 1 28 9.621 -6.019 11.239 1.00 0.00 C ATOM 394 C PRO 1 28 9.291 -4.727 11.990 1.00 0.00 C ATOM 395 O PRO 1 28 9.158 -4.732 13.213 1.00 0.00 O ATOM 396 CB PRO 1 28 9.874 -7.196 12.166 1.00 0.00 C ATOM 397 CG PRO 1 28 11.384 -7.374 12.209 1.00 0.00 C ATOM 398 CD PRO 1 28 11.982 -6.563 11.072 1.00 0.00 C ATOM 0 HA PRO 1 28 8.749 -6.205 10.612 1.00 0.00 H new ATOM 0 HB2 PRO 1 28 9.475 -7.002 13.162 1.00 0.00 H new ATOM 0 HB3 PRO 1 28 9.385 -8.097 11.796 1.00 0.00 H new ATOM 0 HG2 PRO 1 28 11.781 -7.038 13.167 1.00 0.00 H new ATOM 0 HG3 PRO 1 28 11.647 -8.427 12.106 1.00 0.00 H new ATOM 0 HD2 PRO 1 28 12.724 -5.854 11.439 1.00 0.00 H new ATOM 0 HD3 PRO 1 28 12.485 -7.205 10.349 1.00 0.00 H new ATOM 406 N LYS 1 29 9.168 -3.651 11.226 1.00 0.00 N ATOM 407 CA LYS 1 29 8.857 -2.355 11.804 1.00 0.00 C ATOM 408 C LYS 1 29 8.879 -1.292 10.703 1.00 0.00 C ATOM 409 O LYS 1 29 8.270 -0.233 10.845 1.00 0.00 O ATOM 410 CB LYS 1 29 9.796 -2.050 12.972 1.00 0.00 C ATOM 411 CG LYS 1 29 9.081 -1.233 14.051 1.00 0.00 C ATOM 412 CD LYS 1 29 9.033 -1.998 15.375 1.00 0.00 C ATOM 413 CE LYS 1 29 8.058 -1.340 16.354 1.00 0.00 C ATOM 414 NZ LYS 1 29 6.936 -2.255 16.661 1.00 0.00 N ATOM 0 H LYS 1 29 9.278 -3.651 10.212 1.00 0.00 H new ATOM 0 HA LYS 1 29 7.852 -2.357 12.226 1.00 0.00 H new ATOM 0 HB2 LYS 1 29 10.164 -2.982 13.401 1.00 0.00 H new ATOM 0 HB3 LYS 1 29 10.665 -1.500 12.611 1.00 0.00 H new ATOM 0 HG2 LYS 1 29 9.596 -0.283 14.194 1.00 0.00 H new ATOM 0 HG3 LYS 1 29 8.068 -1.000 13.724 1.00 0.00 H new ATOM 0 HD2 LYS 1 29 8.730 -3.029 15.192 1.00 0.00 H new ATOM 0 HD3 LYS 1 29 10.029 -2.032 15.816 1.00 0.00 H new ATOM 0 HE2 LYS 1 29 8.580 -1.074 17.273 1.00 0.00 H new ATOM 0 HE3 LYS 1 29 7.673 -0.414 15.926 1.00 0.00 H new ATOM 0 HZ1 LYS 1 29 6.284 -1.793 17.327 1.00 0.00 H new ATOM 0 HZ2 LYS 1 29 6.428 -2.488 15.784 1.00 0.00 H new ATOM 0 HZ3 LYS 1 29 7.307 -3.128 17.089 1.00 0.00 H new ATOM 428 N GLU 1 30 9.588 -1.612 9.630 1.00 0.00 N ATOM 429 CA GLU 1 30 9.697 -0.698 8.506 1.00 0.00 C ATOM 430 C GLU 1 30 8.712 -1.091 7.404 1.00 0.00 C ATOM 431 O GLU 1 30 8.005 -0.240 6.865 1.00 0.00 O ATOM 432 CB GLU 1 30 11.130 -0.657 7.971 1.00 0.00 C ATOM 433 CG GLU 1 30 11.873 0.576 8.488 1.00 0.00 C ATOM 434 CD GLU 1 30 12.911 0.188 9.543 1.00 0.00 C ATOM 435 OE1 GLU 1 30 13.742 -0.691 9.226 1.00 0.00 O ATOM 436 OE2 GLU 1 30 12.851 0.779 10.643 1.00 0.00 O ATOM 0 H GLU 1 30 10.092 -2.491 9.516 1.00 0.00 H new ATOM 0 HA GLU 1 30 9.443 0.304 8.852 1.00 0.00 H new ATOM 0 HB2 GLU 1 30 11.661 -1.559 8.274 1.00 0.00 H new ATOM 0 HB3 GLU 1 30 11.115 -0.647 6.881 1.00 0.00 H new ATOM 0 HG2 GLU 1 30 12.365 1.083 7.658 1.00 0.00 H new ATOM 0 HG3 GLU 1 30 11.161 1.282 8.916 1.00 0.00 H new ATOM 443 N CYS 1 31 8.694 -2.381 7.103 1.00 0.00 N ATOM 444 CA CYS 1 31 7.806 -2.898 6.074 1.00 0.00 C ATOM 445 C CYS 1 31 6.373 -2.500 6.433 1.00 0.00 C ATOM 446 O CYS 1 31 5.657 -1.933 5.608 1.00 0.00 O ATOM 447 CB CYS 1 31 7.954 -4.411 5.907 1.00 0.00 C ATOM 448 SG CYS 1 31 9.391 -4.936 4.902 1.00 0.00 S ATOM 0 H CYS 1 31 9.280 -3.084 7.553 1.00 0.00 H new ATOM 0 HA CYS 1 31 8.071 -2.465 5.109 1.00 0.00 H new ATOM 0 HB2 CYS 1 31 8.034 -4.865 6.895 1.00 0.00 H new ATOM 0 HB3 CYS 1 31 7.046 -4.802 5.449 1.00 0.00 H new ATOM 453 N ASN 1 32 5.998 -2.812 7.664 1.00 0.00 N ATOM 454 CA ASN 1 32 4.663 -2.495 8.143 1.00 0.00 C ATOM 455 C ASN 1 32 4.513 -0.976 8.254 1.00 0.00 C ATOM 456 O ASN 1 32 3.439 -0.477 8.584 1.00 0.00 O ATOM 457 CB ASN 1 32 4.416 -3.097 9.527 1.00 0.00 C ATOM 458 CG ASN 1 32 3.682 -4.435 9.420 1.00 0.00 C ATOM 459 OD1 ASN 1 32 2.662 -4.666 10.048 1.00 0.00 O ATOM 460 ND2 ASN 1 32 4.258 -5.303 8.592 1.00 0.00 N ATOM 0 H ASN 1 32 6.595 -3.281 8.345 1.00 0.00 H new ATOM 0 HA ASN 1 32 3.944 -2.910 7.436 1.00 0.00 H new ATOM 0 HB2 ASN 1 32 5.367 -3.240 10.040 1.00 0.00 H new ATOM 0 HB3 ASN 1 32 3.829 -2.404 10.130 1.00 0.00 H new ATOM 0 HD21 ASN 1 32 3.846 -6.226 8.453 1.00 0.00 H new ATOM 0 HD22 ASN 1 32 5.112 -5.046 8.097 1.00 0.00 H new ATOM 467 N ASN 1 33 5.608 -0.283 7.974 1.00 0.00 N ATOM 468 CA ASN 1 33 5.612 1.168 8.040 1.00 0.00 C ATOM 469 C ASN 1 33 5.607 1.737 6.620 1.00 0.00 C ATOM 470 O ASN 1 33 5.113 2.841 6.392 1.00 0.00 O ATOM 471 CB ASN 1 33 6.865 1.683 8.751 1.00 0.00 C ATOM 472 CG ASN 1 33 6.628 3.077 9.337 1.00 0.00 C ATOM 473 OD1 ASN 1 33 5.507 3.539 9.473 1.00 0.00 O ATOM 474 ND2 ASN 1 33 7.743 3.717 9.677 1.00 0.00 N ATOM 0 H ASN 1 33 6.498 -0.700 7.701 1.00 0.00 H new ATOM 0 HA ASN 1 33 4.728 1.484 8.594 1.00 0.00 H new ATOM 0 HB2 ASN 1 33 7.146 0.993 9.547 1.00 0.00 H new ATOM 0 HB3 ASN 1 33 7.698 1.716 8.049 1.00 0.00 H new ATOM 0 HD21 ASN 1 33 7.691 4.653 10.079 1.00 0.00 H new ATOM 0 HD22 ASN 1 33 8.650 3.272 9.536 1.00 0.00 H new ATOM 481 N ARG 1 34 6.161 0.959 5.701 1.00 0.00 N ATOM 482 CA ARG 1 34 6.226 1.372 4.310 1.00 0.00 C ATOM 483 C ARG 1 34 4.915 1.039 3.596 1.00 0.00 C ATOM 484 O ARG 1 34 4.561 1.683 2.609 1.00 0.00 O ATOM 485 CB ARG 1 34 7.384 0.684 3.584 1.00 0.00 C ATOM 486 CG ARG 1 34 8.611 0.575 4.490 1.00 0.00 C ATOM 487 CD ARG 1 34 9.882 0.988 3.745 1.00 0.00 C ATOM 488 NE ARG 1 34 10.772 1.754 4.646 1.00 0.00 N ATOM 489 CZ ARG 1 34 12.061 2.012 4.388 1.00 0.00 C ATOM 490 NH1 ARG 1 34 12.620 1.566 3.255 1.00 0.00 N ATOM 491 NH2 ARG 1 34 12.792 2.714 5.264 1.00 0.00 N ATOM 0 H ARG 1 34 6.569 0.044 5.893 1.00 0.00 H new ATOM 0 HA ARG 1 34 6.390 2.449 4.291 1.00 0.00 H new ATOM 0 HB2 ARG 1 34 7.076 -0.311 3.261 1.00 0.00 H new ATOM 0 HB3 ARG 1 34 7.640 1.246 2.685 1.00 0.00 H new ATOM 0 HG2 ARG 1 34 8.477 1.208 5.367 1.00 0.00 H new ATOM 0 HG3 ARG 1 34 8.712 -0.449 4.849 1.00 0.00 H new ATOM 0 HD2 ARG 1 34 10.400 0.103 3.375 1.00 0.00 H new ATOM 0 HD3 ARG 1 34 9.623 1.593 2.876 1.00 0.00 H new ATOM 0 HE ARG 1 34 10.379 2.108 5.518 1.00 0.00 H new ATOM 0 HH11 ARG 1 34 12.064 1.030 2.589 1.00 0.00 H new ATOM 0 HH12 ARG 1 34 13.601 1.763 3.059 1.00 0.00 H new ATOM 0 HH21 ARG 1 34 12.367 3.052 6.127 1.00 0.00 H new ATOM 0 HH22 ARG 1 34 13.773 2.910 5.068 1.00 0.00 H new ATOM 505 N GLY 1 35 4.231 0.034 4.121 1.00 0.00 N ATOM 506 CA GLY 1 35 2.967 -0.393 3.545 1.00 0.00 C ATOM 507 C GLY 1 35 3.027 -1.861 3.118 1.00 0.00 C ATOM 508 O GLY 1 35 2.291 -2.282 2.226 1.00 0.00 O ATOM 0 H GLY 1 35 4.528 -0.498 4.939 1.00 0.00 H new ATOM 0 HA2 GLY 1 35 2.167 -0.254 4.272 1.00 0.00 H new ATOM 0 HA3 GLY 1 35 2.727 0.230 2.684 1.00 0.00 H new ATOM 512 N CYS 1 36 3.910 -2.600 3.774 1.00 0.00 N ATOM 513 CA CYS 1 36 4.075 -4.012 3.473 1.00 0.00 C ATOM 514 C CYS 1 36 3.799 -4.810 4.748 1.00 0.00 C ATOM 515 O CYS 1 36 3.466 -4.237 5.783 1.00 0.00 O ATOM 516 CB CYS 1 36 5.463 -4.309 2.901 1.00 0.00 C ATOM 517 SG CYS 1 36 5.897 -3.354 1.402 1.00 0.00 S ATOM 0 H CYS 1 36 4.519 -2.247 4.513 1.00 0.00 H new ATOM 0 HA CYS 1 36 3.365 -4.308 2.701 1.00 0.00 H new ATOM 0 HB2 CYS 1 36 6.208 -4.108 3.671 1.00 0.00 H new ATOM 0 HB3 CYS 1 36 5.524 -5.372 2.668 1.00 0.00 H new ATOM 522 N CYS 1 37 3.948 -6.122 4.631 1.00 0.00 N ATOM 523 CA CYS 1 37 3.720 -7.005 5.761 1.00 0.00 C ATOM 524 C CYS 1 37 4.962 -7.879 5.947 1.00 0.00 C ATOM 525 O CYS 1 37 5.391 -8.560 5.017 1.00 0.00 O ATOM 526 CB CYS 1 37 2.454 -7.845 5.576 1.00 0.00 C ATOM 527 SG CYS 1 37 1.796 -8.588 7.113 1.00 0.00 S ATOM 0 H CYS 1 37 4.224 -6.594 3.770 1.00 0.00 H new ATOM 0 HA CYS 1 37 3.556 -6.412 6.661 1.00 0.00 H new ATOM 0 HB2 CYS 1 37 1.681 -7.218 5.132 1.00 0.00 H new ATOM 0 HB3 CYS 1 37 2.665 -8.643 4.864 1.00 0.00 H new ATOM 532 N PHE 1 38 5.505 -7.830 7.155 1.00 0.00 N ATOM 533 CA PHE 1 38 6.689 -8.609 7.475 1.00 0.00 C ATOM 534 C PHE 1 38 6.312 -10.018 7.935 1.00 0.00 C ATOM 535 O PHE 1 38 5.575 -10.181 8.906 1.00 0.00 O ATOM 536 CB PHE 1 38 7.404 -7.886 8.619 1.00 0.00 C ATOM 537 CG PHE 1 38 8.810 -8.417 8.909 1.00 0.00 C ATOM 538 CD1 PHE 1 38 9.871 -7.958 8.194 1.00 0.00 C ATOM 539 CD2 PHE 1 38 8.997 -9.349 9.881 1.00 0.00 C ATOM 540 CE1 PHE 1 38 11.176 -8.450 8.462 1.00 0.00 C ATOM 541 CE2 PHE 1 38 10.302 -9.841 10.151 1.00 0.00 C ATOM 542 CZ PHE 1 38 11.363 -9.382 9.435 1.00 0.00 C ATOM 0 H PHE 1 38 5.147 -7.263 7.924 1.00 0.00 H new ATOM 0 HA PHE 1 38 7.322 -8.702 6.593 1.00 0.00 H new ATOM 0 HB2 PHE 1 38 7.470 -6.825 8.379 1.00 0.00 H new ATOM 0 HB3 PHE 1 38 6.801 -7.972 9.523 1.00 0.00 H new ATOM 0 HD1 PHE 1 38 9.721 -7.218 7.421 1.00 0.00 H new ATOM 0 HD2 PHE 1 38 8.154 -9.715 10.448 1.00 0.00 H new ATOM 0 HE1 PHE 1 38 12.019 -8.085 7.894 1.00 0.00 H new ATOM 0 HE2 PHE 1 38 10.451 -10.579 10.925 1.00 0.00 H new ATOM 0 HZ PHE 1 38 12.355 -9.758 9.639 1.00 0.00 H new ATOM 552 N ASP 1 39 6.833 -11.001 7.215 1.00 0.00 N ATOM 553 CA ASP 1 39 6.560 -12.391 7.537 1.00 0.00 C ATOM 554 C ASP 1 39 7.560 -12.873 8.590 1.00 0.00 C ATOM 555 O ASP 1 39 7.252 -12.890 9.781 1.00 0.00 O ATOM 556 CB ASP 1 39 6.708 -13.282 6.302 1.00 0.00 C ATOM 557 CG ASP 1 39 7.301 -14.666 6.571 1.00 0.00 C ATOM 558 OD1 ASP 1 39 6.557 -15.506 7.122 1.00 0.00 O ATOM 559 OD2 ASP 1 39 8.486 -14.854 6.219 1.00 0.00 O ATOM 0 H ASP 1 39 7.443 -10.862 6.409 1.00 0.00 H new ATOM 0 HA ASP 1 39 5.537 -12.456 7.908 1.00 0.00 H new ATOM 0 HB2 ASP 1 39 5.727 -13.406 5.843 1.00 0.00 H new ATOM 0 HB3 ASP 1 39 7.338 -12.768 5.575 1.00 0.00 H new ATOM 564 N SER 1 40 8.736 -13.251 8.113 1.00 0.00 N ATOM 565 CA SER 1 40 9.783 -13.731 8.999 1.00 0.00 C ATOM 566 C SER 1 40 9.586 -15.221 9.283 1.00 0.00 C ATOM 567 O SER 1 40 10.533 -15.919 9.641 1.00 0.00 O ATOM 568 CB SER 1 40 9.803 -12.940 10.309 1.00 0.00 C ATOM 569 OG SER 1 40 11.132 -12.650 10.737 1.00 0.00 O ATOM 0 H SER 1 40 8.987 -13.235 7.125 1.00 0.00 H new ATOM 0 HA SER 1 40 10.743 -13.585 8.503 1.00 0.00 H new ATOM 0 HB2 SER 1 40 9.253 -12.008 10.178 1.00 0.00 H new ATOM 0 HB3 SER 1 40 9.288 -13.508 11.084 1.00 0.00 H new ATOM 0 HG SER 1 40 11.394 -11.764 10.412 1.00 0.00 H new ATOM 575 N ARG 1 41 8.350 -15.665 9.112 1.00 0.00 N ATOM 576 CA ARG 1 41 8.016 -17.060 9.345 1.00 0.00 C ATOM 577 C ARG 1 41 8.787 -17.959 8.377 1.00 0.00 C ATOM 578 O ARG 1 41 9.327 -18.989 8.778 1.00 0.00 O ATOM 579 CB ARG 1 41 6.516 -17.304 9.172 1.00 0.00 C ATOM 580 CG ARG 1 41 5.699 -16.166 9.790 1.00 0.00 C ATOM 581 CD ARG 1 41 4.366 -16.682 10.335 1.00 0.00 C ATOM 582 NE ARG 1 41 4.551 -17.213 11.704 1.00 0.00 N ATOM 583 CZ ARG 1 41 4.709 -18.513 11.991 1.00 0.00 C ATOM 584 NH1 ARG 1 41 4.705 -19.421 11.006 1.00 0.00 N ATOM 585 NH2 ARG 1 41 4.869 -18.903 13.262 1.00 0.00 N ATOM 0 H ARG 1 41 7.567 -15.083 8.815 1.00 0.00 H new ATOM 0 HA ARG 1 41 8.295 -17.301 10.371 1.00 0.00 H new ATOM 0 HB2 ARG 1 41 6.278 -17.393 8.112 1.00 0.00 H new ATOM 0 HB3 ARG 1 41 6.241 -18.249 9.640 1.00 0.00 H new ATOM 0 HG2 ARG 1 41 6.269 -15.699 10.594 1.00 0.00 H new ATOM 0 HG3 ARG 1 41 5.516 -15.396 9.040 1.00 0.00 H new ATOM 0 HD2 ARG 1 41 3.631 -15.877 10.344 1.00 0.00 H new ATOM 0 HD3 ARG 1 41 3.975 -17.463 9.683 1.00 0.00 H new ATOM 0 HE ARG 1 41 4.559 -16.548 12.478 1.00 0.00 H new ATOM 0 HH11 ARG 1 41 4.582 -19.123 10.038 1.00 0.00 H new ATOM 0 HH12 ARG 1 41 4.825 -20.410 11.224 1.00 0.00 H new ATOM 0 HH21 ARG 1 41 4.871 -18.211 14.011 1.00 0.00 H new ATOM 0 HH22 ARG 1 41 4.989 -19.892 13.481 1.00 0.00 H new ATOM 599 N ILE 1 42 8.815 -17.537 7.121 1.00 0.00 N ATOM 600 CA ILE 1 42 9.511 -18.291 6.093 1.00 0.00 C ATOM 601 C ILE 1 42 10.610 -17.419 5.483 1.00 0.00 C ATOM 602 O ILE 1 42 10.321 -16.453 4.778 1.00 0.00 O ATOM 603 CB ILE 1 42 8.518 -18.840 5.066 1.00 0.00 C ATOM 604 CG1 ILE 1 42 7.178 -19.176 5.723 1.00 0.00 C ATOM 605 CG2 ILE 1 42 9.108 -20.038 4.319 1.00 0.00 C ATOM 606 CD1 ILE 1 42 6.480 -20.322 4.989 1.00 0.00 C ATOM 0 H ILE 1 42 8.366 -16.682 6.792 1.00 0.00 H new ATOM 0 HA ILE 1 42 10.000 -19.164 6.526 1.00 0.00 H new ATOM 0 HB ILE 1 42 8.327 -18.062 4.326 1.00 0.00 H new ATOM 0 HG12 ILE 1 42 7.339 -19.451 6.765 1.00 0.00 H new ATOM 0 HG13 ILE 1 42 6.537 -18.294 5.722 1.00 0.00 H new ATOM 0 HG21 ILE 1 42 8.382 -20.409 3.595 1.00 0.00 H new ATOM 0 HG22 ILE 1 42 10.015 -19.731 3.798 1.00 0.00 H new ATOM 0 HG23 ILE 1 42 9.348 -20.828 5.030 1.00 0.00 H new ATOM 0 HD11 ILE 1 42 5.530 -20.541 5.476 1.00 0.00 H new ATOM 0 HD12 ILE 1 42 6.299 -20.034 3.953 1.00 0.00 H new ATOM 0 HD13 ILE 1 42 7.113 -21.209 5.013 1.00 0.00 H new ATOM 618 N PRO 1 43 11.880 -17.801 5.784 1.00 0.00 N ATOM 619 CA PRO 1 43 13.023 -17.064 5.273 1.00 0.00 C ATOM 620 C PRO 1 43 13.248 -17.362 3.789 1.00 0.00 C ATOM 621 O PRO 1 43 14.100 -16.745 3.150 1.00 0.00 O ATOM 622 CB PRO 1 43 14.190 -17.491 6.148 1.00 0.00 C ATOM 623 CG PRO 1 43 13.760 -18.790 6.811 1.00 0.00 C ATOM 624 CD PRO 1 43 12.260 -18.938 6.616 1.00 0.00 C ATOM 0 HA PRO 1 43 12.882 -15.984 5.319 1.00 0.00 H new ATOM 0 HB2 PRO 1 43 15.092 -17.636 5.553 1.00 0.00 H new ATOM 0 HB3 PRO 1 43 14.419 -16.729 6.893 1.00 0.00 H new ATOM 0 HG2 PRO 1 43 14.288 -19.636 6.371 1.00 0.00 H new ATOM 0 HG3 PRO 1 43 14.008 -18.777 7.872 1.00 0.00 H new ATOM 0 HD2 PRO 1 43 12.015 -19.883 6.131 1.00 0.00 H new ATOM 0 HD3 PRO 1 43 11.733 -18.924 7.570 1.00 0.00 H new ATOM 632 N GLY 1 44 12.470 -18.308 3.284 1.00 0.00 N ATOM 633 CA GLY 1 44 12.574 -18.695 1.887 1.00 0.00 C ATOM 634 C GLY 1 44 11.560 -17.933 1.030 1.00 0.00 C ATOM 635 O GLY 1 44 11.528 -18.095 -0.189 1.00 0.00 O ATOM 0 H GLY 1 44 11.765 -18.818 3.817 1.00 0.00 H new ATOM 0 HA2 GLY 1 44 13.583 -18.497 1.525 1.00 0.00 H new ATOM 0 HA3 GLY 1 44 12.405 -19.767 1.789 1.00 0.00 H new ATOM 639 N VAL 1 45 10.757 -17.121 1.702 1.00 0.00 N ATOM 640 CA VAL 1 45 9.745 -16.335 1.017 1.00 0.00 C ATOM 641 C VAL 1 45 9.985 -14.850 1.296 1.00 0.00 C ATOM 642 O VAL 1 45 10.944 -14.489 1.975 1.00 0.00 O ATOM 643 CB VAL 1 45 8.350 -16.805 1.432 1.00 0.00 C ATOM 644 CG1 VAL 1 45 8.345 -18.302 1.749 1.00 0.00 C ATOM 645 CG2 VAL 1 45 7.828 -15.991 2.618 1.00 0.00 C ATOM 0 H VAL 1 45 10.787 -16.991 2.713 1.00 0.00 H new ATOM 0 HA VAL 1 45 9.813 -16.478 -0.061 1.00 0.00 H new ATOM 0 HB VAL 1 45 7.678 -16.640 0.590 1.00 0.00 H new ATOM 0 HG11 VAL 1 45 7.341 -18.609 2.041 1.00 0.00 H new ATOM 0 HG12 VAL 1 45 8.653 -18.862 0.866 1.00 0.00 H new ATOM 0 HG13 VAL 1 45 9.038 -18.503 2.566 1.00 0.00 H new ATOM 0 HG21 VAL 1 45 6.835 -16.345 2.893 1.00 0.00 H new ATOM 0 HG22 VAL 1 45 8.503 -16.109 3.466 1.00 0.00 H new ATOM 0 HG23 VAL 1 45 7.774 -14.938 2.341 1.00 0.00 H new ATOM 655 N PRO 1 46 9.071 -14.007 0.743 1.00 0.00 N ATOM 656 CA PRO 1 46 9.173 -12.570 0.925 1.00 0.00 C ATOM 657 C PRO 1 46 8.744 -12.164 2.337 1.00 0.00 C ATOM 658 O PRO 1 46 7.593 -12.363 2.721 1.00 0.00 O ATOM 659 CB PRO 1 46 8.291 -11.971 -0.158 1.00 0.00 C ATOM 660 CG PRO 1 46 7.367 -13.092 -0.608 1.00 0.00 C ATOM 661 CD PRO 1 46 7.922 -14.400 -0.068 1.00 0.00 C ATOM 0 HA PRO 1 46 10.197 -12.207 0.832 1.00 0.00 H new ATOM 0 HB2 PRO 1 46 7.721 -11.125 0.226 1.00 0.00 H new ATOM 0 HB3 PRO 1 46 8.890 -11.601 -0.990 1.00 0.00 H new ATOM 0 HG2 PRO 1 46 6.356 -12.925 -0.237 1.00 0.00 H new ATOM 0 HG3 PRO 1 46 7.307 -13.123 -1.696 1.00 0.00 H new ATOM 0 HD2 PRO 1 46 7.179 -14.930 0.528 1.00 0.00 H new ATOM 0 HD3 PRO 1 46 8.218 -15.069 -0.876 1.00 0.00 H new ATOM 669 N TRP 1 47 9.693 -11.603 3.071 1.00 0.00 N ATOM 670 CA TRP 1 47 9.428 -11.168 4.432 1.00 0.00 C ATOM 671 C TRP 1 47 8.954 -9.714 4.379 1.00 0.00 C ATOM 672 O TRP 1 47 9.150 -8.959 5.331 1.00 0.00 O ATOM 673 CB TRP 1 47 10.658 -11.363 5.319 1.00 0.00 C ATOM 674 CG TRP 1 47 11.736 -12.256 4.702 1.00 0.00 C ATOM 675 CD1 TRP 1 47 11.736 -13.591 4.587 1.00 0.00 C ATOM 676 CD2 TRP 1 47 12.980 -11.821 4.115 1.00 0.00 C ATOM 677 NE1 TRP 1 47 12.883 -14.047 3.972 1.00 0.00 N ATOM 678 CE2 TRP 1 47 13.665 -12.936 3.675 1.00 0.00 C ATOM 679 CE3 TRP 1 47 13.511 -10.528 3.960 1.00 0.00 C ATOM 680 CZ2 TRP 1 47 14.917 -12.870 3.052 1.00 0.00 C ATOM 681 CZ3 TRP 1 47 14.763 -10.480 3.337 1.00 0.00 C ATOM 682 CH2 TRP 1 47 15.464 -11.593 2.888 1.00 0.00 C ATOM 0 H TRP 1 47 10.647 -11.439 2.749 1.00 0.00 H new ATOM 0 HA TRP 1 47 8.644 -11.774 4.885 1.00 0.00 H new ATOM 0 HB2 TRP 1 47 11.092 -10.388 5.540 1.00 0.00 H new ATOM 0 HB3 TRP 1 47 10.343 -11.795 6.269 1.00 0.00 H new ATOM 0 HD1 TRP 1 47 10.937 -14.230 4.933 1.00 0.00 H new ATOM 0 HE1 TRP 1 47 13.115 -15.020 3.772 1.00 0.00 H new ATOM 0 HE3 TRP 1 47 12.993 -9.642 4.295 1.00 0.00 H new ATOM 0 HZ2 TRP 1 47 15.433 -13.757 2.716 1.00 0.00 H new ATOM 0 HZ3 TRP 1 47 15.216 -9.510 3.195 1.00 0.00 H new ATOM 0 HH2 TRP 1 47 16.427 -11.472 2.414 1.00 0.00 H new ATOM 693 N CYS 1 48 8.340 -9.365 3.258 1.00 0.00 N ATOM 694 CA CYS 1 48 7.837 -8.016 3.070 1.00 0.00 C ATOM 695 C CYS 1 48 6.957 -8.002 1.818 1.00 0.00 C ATOM 696 O CYS 1 48 7.463 -8.045 0.697 1.00 0.00 O ATOM 697 CB CYS 1 48 8.973 -6.995 2.979 1.00 0.00 C ATOM 698 SG CYS 1 48 8.450 -5.248 3.130 1.00 0.00 S ATOM 0 H CYS 1 48 8.180 -9.994 2.471 1.00 0.00 H new ATOM 0 HA CYS 1 48 7.242 -7.724 3.936 1.00 0.00 H new ATOM 0 HB2 CYS 1 48 9.700 -7.211 3.762 1.00 0.00 H new ATOM 0 HB3 CYS 1 48 9.484 -7.125 2.025 1.00 0.00 H new ATOM 703 N PHE 1 49 5.654 -7.940 2.050 1.00 0.00 N ATOM 704 CA PHE 1 49 4.699 -7.920 0.955 1.00 0.00 C ATOM 705 C PHE 1 49 3.544 -6.962 1.253 1.00 0.00 C ATOM 706 O PHE 1 49 3.596 -6.202 2.219 1.00 0.00 O ATOM 707 CB PHE 1 49 4.146 -9.340 0.818 1.00 0.00 C ATOM 708 CG PHE 1 49 4.172 -10.146 2.118 1.00 0.00 C ATOM 709 CD1 PHE 1 49 5.361 -10.496 2.678 1.00 0.00 C ATOM 710 CD2 PHE 1 49 3.005 -10.512 2.714 1.00 0.00 C ATOM 711 CE1 PHE 1 49 5.384 -11.245 3.885 1.00 0.00 C ATOM 712 CE2 PHE 1 49 3.028 -11.261 3.920 1.00 0.00 C ATOM 713 CZ PHE 1 49 4.217 -11.612 4.481 1.00 0.00 C ATOM 0 H PHE 1 49 5.237 -7.903 2.980 1.00 0.00 H new ATOM 0 HA PHE 1 49 5.188 -7.584 0.041 1.00 0.00 H new ATOM 0 HB2 PHE 1 49 3.119 -9.286 0.457 1.00 0.00 H new ATOM 0 HB3 PHE 1 49 4.722 -9.872 0.061 1.00 0.00 H new ATOM 0 HD1 PHE 1 49 6.287 -10.205 2.205 1.00 0.00 H new ATOM 0 HD2 PHE 1 49 2.061 -10.233 2.270 1.00 0.00 H new ATOM 0 HE1 PHE 1 49 6.328 -11.523 4.330 1.00 0.00 H new ATOM 0 HE2 PHE 1 49 2.101 -11.552 4.392 1.00 0.00 H new ATOM 0 HZ PHE 1 49 4.234 -12.181 5.399 1.00 0.00 H new ATOM 723 N LYS 1 50 2.526 -7.031 0.407 1.00 0.00 N ATOM 724 CA LYS 1 50 1.360 -6.180 0.567 1.00 0.00 C ATOM 725 C LYS 1 50 0.109 -7.052 0.677 1.00 0.00 C ATOM 726 O LYS 1 50 -0.725 -7.065 -0.228 1.00 0.00 O ATOM 727 CB LYS 1 50 1.293 -5.146 -0.559 1.00 0.00 C ATOM 728 CG LYS 1 50 2.359 -5.421 -1.620 1.00 0.00 C ATOM 729 CD LYS 1 50 3.685 -4.751 -1.253 1.00 0.00 C ATOM 730 CE LYS 1 50 3.462 -3.304 -0.807 1.00 0.00 C ATOM 731 NZ LYS 1 50 2.464 -2.641 -1.677 1.00 0.00 N ATOM 0 H LYS 1 50 2.485 -7.664 -0.392 1.00 0.00 H new ATOM 0 HA LYS 1 50 1.431 -5.606 1.491 1.00 0.00 H new ATOM 0 HB2 LYS 1 50 0.304 -5.166 -1.018 1.00 0.00 H new ATOM 0 HB3 LYS 1 50 1.433 -4.146 -0.148 1.00 0.00 H new ATOM 0 HG2 LYS 1 50 2.507 -6.496 -1.722 1.00 0.00 H new ATOM 0 HG3 LYS 1 50 2.017 -5.053 -2.588 1.00 0.00 H new ATOM 0 HD2 LYS 1 50 4.171 -5.311 -0.454 1.00 0.00 H new ATOM 0 HD3 LYS 1 50 4.357 -4.772 -2.111 1.00 0.00 H new ATOM 0 HE2 LYS 1 50 3.121 -3.285 0.228 1.00 0.00 H new ATOM 0 HE3 LYS 1 50 4.404 -2.757 -0.842 1.00 0.00 H new ATOM 0 HZ1 LYS 1 50 2.630 -1.614 -1.676 1.00 0.00 H new ATOM 0 HZ2 LYS 1 50 2.553 -3.005 -2.647 1.00 0.00 H new ATOM 0 HZ3 LYS 1 50 1.507 -2.837 -1.320 1.00 0.00 H new ATOM 745 N PRO 1 51 0.013 -7.778 1.823 1.00 0.00 N ATOM 746 CA PRO 1 51 -1.123 -8.651 2.063 1.00 0.00 C ATOM 747 C PRO 1 51 -2.369 -7.842 2.431 1.00 0.00 C ATOM 748 O PRO 1 51 -3.029 -7.280 1.559 1.00 0.00 O ATOM 749 CB PRO 1 51 -0.673 -9.587 3.173 1.00 0.00 C ATOM 750 CG PRO 1 51 0.519 -8.910 3.831 1.00 0.00 C ATOM 751 CD PRO 1 51 0.981 -7.788 2.916 1.00 0.00 C ATOM 0 HA PRO 1 51 -1.413 -9.216 1.177 1.00 0.00 H new ATOM 0 HB2 PRO 1 51 -1.474 -9.753 3.893 1.00 0.00 H new ATOM 0 HB3 PRO 1 51 -0.397 -10.563 2.773 1.00 0.00 H new ATOM 0 HG2 PRO 1 51 0.242 -8.516 4.809 1.00 0.00 H new ATOM 0 HG3 PRO 1 51 1.324 -9.627 3.993 1.00 0.00 H new ATOM 0 HD2 PRO 1 51 0.997 -6.832 3.439 1.00 0.00 H new ATOM 0 HD3 PRO 1 51 1.991 -7.968 2.548 1.00 0.00 H new ATOM 759 N LEU 1 52 -2.651 -7.809 3.725 1.00 0.00 N ATOM 760 CA LEU 1 52 -3.806 -7.078 4.219 1.00 0.00 C ATOM 761 C LEU 1 52 -3.403 -5.630 4.506 1.00 0.00 C ATOM 762 O LEU 1 52 -3.921 -5.010 5.434 1.00 0.00 O ATOM 763 CB LEU 1 52 -4.419 -7.796 5.424 1.00 0.00 C ATOM 764 CG LEU 1 52 -3.774 -7.500 6.780 1.00 0.00 C ATOM 765 CD1 LEU 1 52 -4.752 -6.777 7.706 1.00 0.00 C ATOM 766 CD2 LEU 1 52 -3.222 -8.779 7.414 1.00 0.00 C ATOM 0 H LEU 1 52 -2.101 -8.276 4.446 1.00 0.00 H new ATOM 0 HA LEU 1 52 -4.590 -7.047 3.462 1.00 0.00 H new ATOM 0 HB2 LEU 1 52 -5.475 -7.532 5.481 1.00 0.00 H new ATOM 0 HB3 LEU 1 52 -4.368 -8.870 5.246 1.00 0.00 H new ATOM 0 HG LEU 1 52 -2.930 -6.830 6.618 1.00 0.00 H new ATOM 0 HD11 LEU 1 52 -4.268 -6.579 8.663 1.00 0.00 H new ATOM 0 HD12 LEU 1 52 -5.055 -5.834 7.250 1.00 0.00 H new ATOM 0 HD13 LEU 1 52 -5.631 -7.402 7.866 1.00 0.00 H new ATOM 0 HD21 LEU 1 52 -2.769 -8.542 8.377 1.00 0.00 H new ATOM 0 HD22 LEU 1 52 -4.033 -9.492 7.561 1.00 0.00 H new ATOM 0 HD23 LEU 1 52 -2.470 -9.216 6.757 1.00 0.00 H new ATOM 778 N GLN 1 53 -2.482 -5.134 3.693 1.00 0.00 N ATOM 779 CA GLN 1 53 -2.004 -3.771 3.847 1.00 0.00 C ATOM 780 C GLN 1 53 -3.175 -2.787 3.787 1.00 0.00 C ATOM 781 O GLN 1 53 -3.070 -1.661 4.270 1.00 0.00 O ATOM 782 CB GLN 1 53 -0.952 -3.435 2.788 1.00 0.00 C ATOM 783 CG GLN 1 53 0.283 -4.325 2.940 1.00 0.00 C ATOM 784 CD GLN 1 53 0.811 -4.289 4.376 1.00 0.00 C ATOM 785 OE1 GLN 1 53 1.526 -3.386 4.778 1.00 0.00 O ATOM 786 NE2 GLN 1 53 0.421 -5.318 5.122 1.00 0.00 N ATOM 0 H GLN 1 53 -2.054 -5.652 2.925 1.00 0.00 H new ATOM 0 HA GLN 1 53 -1.530 -3.682 4.824 1.00 0.00 H new ATOM 0 HB2 GLN 1 53 -1.378 -3.565 1.793 1.00 0.00 H new ATOM 0 HB3 GLN 1 53 -0.663 -2.388 2.877 1.00 0.00 H new ATOM 0 HG2 GLN 1 53 0.033 -5.350 2.666 1.00 0.00 H new ATOM 0 HG3 GLN 1 53 1.062 -3.993 2.254 1.00 0.00 H new ATOM 0 HE21 GLN 1 53 -0.178 -6.040 4.722 1.00 0.00 H new ATOM 0 HE22 GLN 1 53 0.721 -5.386 6.094 1.00 0.00 H new ATOM 795 N GLU 1 54 -4.264 -3.248 3.190 1.00 0.00 N ATOM 796 CA GLU 1 54 -5.453 -2.424 3.060 1.00 0.00 C ATOM 797 C GLU 1 54 -5.728 -1.680 4.369 1.00 0.00 C ATOM 798 O GLU 1 54 -6.363 -0.626 4.367 1.00 0.00 O ATOM 799 CB GLU 1 54 -6.661 -3.265 2.643 1.00 0.00 C ATOM 800 CG GLU 1 54 -7.371 -3.849 3.866 1.00 0.00 C ATOM 801 CD GLU 1 54 -8.620 -3.037 4.216 1.00 0.00 C ATOM 802 OE1 GLU 1 54 -8.502 -1.792 4.229 1.00 0.00 O ATOM 803 OE2 GLU 1 54 -9.664 -3.679 4.461 1.00 0.00 O ATOM 0 H GLU 1 54 -4.348 -4.183 2.791 1.00 0.00 H new ATOM 0 HA GLU 1 54 -5.277 -1.688 2.276 1.00 0.00 H new ATOM 0 HB2 GLU 1 54 -7.357 -2.650 2.073 1.00 0.00 H new ATOM 0 HB3 GLU 1 54 -6.337 -4.072 1.986 1.00 0.00 H new ATOM 0 HG2 GLU 1 54 -7.650 -4.884 3.669 1.00 0.00 H new ATOM 0 HG3 GLU 1 54 -6.689 -3.859 4.716 1.00 0.00 H new ATOM 810 N ALA 1 55 -5.237 -2.258 5.456 1.00 0.00 N ATOM 811 CA ALA 1 55 -5.422 -1.664 6.769 1.00 0.00 C ATOM 812 C ALA 1 55 -5.301 -0.143 6.656 1.00 0.00 C ATOM 813 O ALA 1 55 -6.273 0.579 6.876 1.00 0.00 O ATOM 814 CB ALA 1 55 -4.407 -2.259 7.746 1.00 0.00 C ATOM 0 H ALA 1 55 -4.711 -3.132 5.454 1.00 0.00 H new ATOM 0 HA ALA 1 55 -6.416 -1.888 7.156 1.00 0.00 H new ATOM 0 HB1 ALA 1 55 -4.546 -1.813 8.731 1.00 0.00 H new ATOM 0 HB2 ALA 1 55 -4.554 -3.337 7.811 1.00 0.00 H new ATOM 0 HB3 ALA 1 55 -3.397 -2.051 7.393 1.00 0.00 H new ATOM 820 N GLU 1 56 -4.100 0.300 6.315 1.00 0.00 N ATOM 821 CA GLU 1 56 -3.839 1.722 6.170 1.00 0.00 C ATOM 822 C GLU 1 56 -3.025 1.986 4.902 1.00 0.00 C ATOM 823 O GLU 1 56 -2.324 2.993 4.809 1.00 0.00 O ATOM 824 CB GLU 1 56 -3.126 2.277 7.405 1.00 0.00 C ATOM 825 CG GLU 1 56 -4.105 3.024 8.313 1.00 0.00 C ATOM 826 CD GLU 1 56 -3.369 3.708 9.467 1.00 0.00 C ATOM 827 OE1 GLU 1 56 -2.851 4.821 9.232 1.00 0.00 O ATOM 828 OE2 GLU 1 56 -3.339 3.101 10.560 1.00 0.00 O ATOM 0 H GLU 1 56 -3.296 -0.301 6.135 1.00 0.00 H new ATOM 0 HA GLU 1 56 -4.794 2.239 6.079 1.00 0.00 H new ATOM 0 HB2 GLU 1 56 -2.661 1.461 7.958 1.00 0.00 H new ATOM 0 HB3 GLU 1 56 -2.326 2.949 7.096 1.00 0.00 H new ATOM 0 HG2 GLU 1 56 -4.650 3.768 7.732 1.00 0.00 H new ATOM 0 HG3 GLU 1 56 -4.843 2.327 8.710 1.00 0.00 H new ATOM 835 N CYS 1 57 -3.145 1.066 3.957 1.00 0.00 N ATOM 836 CA CYS 1 57 -2.429 1.187 2.698 1.00 0.00 C ATOM 837 C CYS 1 57 -3.423 1.621 1.620 1.00 0.00 C ATOM 838 O CYS 1 57 -3.213 2.629 0.947 1.00 0.00 O ATOM 839 CB CYS 1 57 -1.716 -0.114 2.326 1.00 0.00 C ATOM 840 SG CYS 1 57 -0.276 0.090 1.215 1.00 0.00 S ATOM 0 H CYS 1 57 -3.728 0.233 4.038 1.00 0.00 H new ATOM 0 HA CYS 1 57 -1.646 1.939 2.793 1.00 0.00 H new ATOM 0 HB2 CYS 1 57 -1.384 -0.604 3.241 1.00 0.00 H new ATOM 0 HB3 CYS 1 57 -2.434 -0.781 1.849 1.00 0.00 H new ATOM 845 N THR 1 58 -4.484 0.839 1.489 1.00 0.00 N ATOM 846 CA THR 1 58 -5.512 1.130 0.504 1.00 0.00 C ATOM 847 C THR 1 58 -6.276 2.399 0.889 1.00 0.00 C ATOM 848 O THR 1 58 -6.626 3.203 0.026 1.00 0.00 O ATOM 849 CB THR 1 58 -6.408 -0.103 0.376 1.00 0.00 C ATOM 850 OG1 THR 1 58 -6.994 0.027 -0.916 1.00 0.00 O ATOM 851 CG2 THR 1 58 -7.601 -0.061 1.332 1.00 0.00 C ATOM 0 H THR 1 58 -4.654 0.004 2.049 1.00 0.00 H new ATOM 0 HA THR 1 58 -5.076 1.335 -0.474 1.00 0.00 H new ATOM 0 HB THR 1 58 -5.820 -1.001 0.568 1.00 0.00 H new ATOM 0 HG1 THR 1 58 -7.950 -0.183 -0.864 1.00 0.00 H new ATOM 0 HG21 THR 1 58 -8.204 -0.959 1.200 1.00 0.00 H new ATOM 0 HG22 THR 1 58 -7.242 -0.012 2.360 1.00 0.00 H new ATOM 0 HG23 THR 1 58 -8.208 0.819 1.118 1.00 0.00 H new ATOM 859 N PHE 1 59 -6.512 2.538 2.186 1.00 0.00 N ATOM 860 CA PHE 1 59 -7.228 3.696 2.695 1.00 0.00 C ATOM 861 C PHE 1 59 -6.911 4.944 1.869 1.00 0.00 C ATOM 862 O PHE 1 59 -7.640 5.934 1.930 1.00 0.00 O ATOM 863 CB PHE 1 59 -6.754 3.917 4.134 1.00 0.00 C ATOM 864 CG PHE 1 59 -7.761 4.662 5.012 1.00 0.00 C ATOM 865 CD1 PHE 1 59 -8.922 4.057 5.380 1.00 0.00 C ATOM 866 CD2 PHE 1 59 -7.495 5.930 5.426 1.00 0.00 C ATOM 867 CE1 PHE 1 59 -9.856 4.749 6.195 1.00 0.00 C ATOM 868 CE2 PHE 1 59 -8.428 6.622 6.241 1.00 0.00 C ATOM 869 CZ PHE 1 59 -9.589 6.017 6.609 1.00 0.00 C ATOM 0 H PHE 1 59 -6.221 1.869 2.899 1.00 0.00 H new ATOM 0 HA PHE 1 59 -8.303 3.522 2.642 1.00 0.00 H new ATOM 0 HB2 PHE 1 59 -6.538 2.950 4.587 1.00 0.00 H new ATOM 0 HB3 PHE 1 59 -5.819 4.477 4.116 1.00 0.00 H new ATOM 0 HD1 PHE 1 59 -9.134 3.050 5.052 1.00 0.00 H new ATOM 0 HD2 PHE 1 59 -6.573 6.411 5.134 1.00 0.00 H new ATOM 0 HE1 PHE 1 59 -10.778 4.269 6.486 1.00 0.00 H new ATOM 0 HE2 PHE 1 59 -8.216 7.629 6.569 1.00 0.00 H new ATOM 0 HZ PHE 1 59 -10.299 6.543 7.230 1.00 0.00 H new TER 879 PHE 1 59 ATOM 880 N GLU 2 1 -23.036 1.093 -1.380 1.00 0.00 N ATOM 881 CA GLU 2 1 -21.775 0.863 -2.067 1.00 0.00 C ATOM 882 C GLU 2 1 -21.056 2.191 -2.314 1.00 0.00 C ATOM 883 O GLU 2 1 -20.992 2.665 -3.447 1.00 0.00 O ATOM 884 CB GLU 2 1 -21.995 0.106 -3.378 1.00 0.00 C ATOM 885 CG GLU 2 1 -22.261 -1.378 -3.116 1.00 0.00 C ATOM 886 CD GLU 2 1 -23.722 -1.731 -3.399 1.00 0.00 C ATOM 887 OE1 GLU 2 1 -24.591 -0.942 -2.967 1.00 0.00 O ATOM 888 OE2 GLU 2 1 -23.938 -2.782 -4.041 1.00 0.00 O ATOM 0 H1 GLU 2 1 -23.773 0.489 -1.796 1.00 0.00 H new ATOM 0 H2 GLU 2 1 -22.929 0.864 -0.371 1.00 0.00 H new ATOM 0 H3 GLU 2 1 -23.309 2.091 -1.481 1.00 0.00 H new ATOM 0 HA GLU 2 1 -21.144 0.243 -1.430 1.00 0.00 H new ATOM 0 HB2 GLU 2 1 -22.837 0.541 -3.916 1.00 0.00 H new ATOM 0 HB3 GLU 2 1 -21.118 0.215 -4.017 1.00 0.00 H new ATOM 0 HG2 GLU 2 1 -21.608 -1.985 -3.744 1.00 0.00 H new ATOM 0 HG3 GLU 2 1 -22.019 -1.617 -2.080 1.00 0.00 H new ATOM 895 N GLU 2 2 -20.533 2.753 -1.235 1.00 0.00 N ATOM 896 CA GLU 2 2 -19.821 4.017 -1.320 1.00 0.00 C ATOM 897 C GLU 2 2 -18.380 3.785 -1.781 1.00 0.00 C ATOM 898 O GLU 2 2 -17.439 3.994 -1.016 1.00 0.00 O ATOM 899 CB GLU 2 2 -19.856 4.758 0.018 1.00 0.00 C ATOM 900 CG GLU 2 2 -19.095 3.983 1.095 1.00 0.00 C ATOM 901 CD GLU 2 2 -19.796 4.093 2.450 1.00 0.00 C ATOM 902 OE1 GLU 2 2 -20.185 5.230 2.797 1.00 0.00 O ATOM 903 OE2 GLU 2 2 -19.929 3.039 3.108 1.00 0.00 O ATOM 0 H GLU 2 2 -20.588 2.357 -0.297 1.00 0.00 H new ATOM 0 HA GLU 2 2 -20.321 4.644 -2.058 1.00 0.00 H new ATOM 0 HB2 GLU 2 2 -19.418 5.749 -0.100 1.00 0.00 H new ATOM 0 HB3 GLU 2 2 -20.890 4.902 0.331 1.00 0.00 H new ATOM 0 HG2 GLU 2 2 -19.017 2.935 0.806 1.00 0.00 H new ATOM 0 HG3 GLU 2 2 -18.079 4.368 1.175 1.00 0.00 H new ATOM 910 N TYR 2 3 -18.253 3.357 -3.028 1.00 0.00 N ATOM 911 CA TYR 2 3 -16.944 3.093 -3.599 1.00 0.00 C ATOM 912 C TYR 2 3 -16.350 4.361 -4.217 1.00 0.00 C ATOM 913 O TYR 2 3 -16.342 4.515 -5.437 1.00 0.00 O ATOM 914 CB TYR 2 3 -17.165 2.058 -4.703 1.00 0.00 C ATOM 915 CG TYR 2 3 -17.784 0.747 -4.212 1.00 0.00 C ATOM 916 CD1 TYR 2 3 -17.866 0.487 -2.859 1.00 0.00 C ATOM 917 CD2 TYR 2 3 -18.259 -0.175 -5.121 1.00 0.00 C ATOM 918 CE1 TYR 2 3 -18.448 -0.745 -2.396 1.00 0.00 C ATOM 919 CE2 TYR 2 3 -18.841 -1.409 -4.659 1.00 0.00 C ATOM 920 CZ TYR 2 3 -18.907 -1.633 -3.320 1.00 0.00 C ATOM 921 OH TYR 2 3 -19.457 -2.797 -2.883 1.00 0.00 O ATOM 0 H TYR 2 3 -19.036 3.186 -3.659 1.00 0.00 H new ATOM 0 HA TYR 2 3 -16.254 2.743 -2.831 1.00 0.00 H new ATOM 0 HB2 TYR 2 3 -17.812 2.489 -5.467 1.00 0.00 H new ATOM 0 HB3 TYR 2 3 -16.209 1.841 -5.180 1.00 0.00 H new ATOM 0 HD1 TYR 2 3 -17.493 1.209 -2.147 1.00 0.00 H new ATOM 0 HD2 TYR 2 3 -18.195 0.028 -6.180 1.00 0.00 H new ATOM 0 HE1 TYR 2 3 -18.519 -0.960 -1.340 1.00 0.00 H new ATOM 0 HE2 TYR 2 3 -19.216 -2.139 -5.360 1.00 0.00 H new ATOM 0 HH TYR 2 3 -19.742 -3.333 -3.652 1.00 0.00 H new ATOM 931 N VAL 2 4 -15.869 5.236 -3.347 1.00 0.00 N ATOM 932 CA VAL 2 4 -15.275 6.485 -3.792 1.00 0.00 C ATOM 933 C VAL 2 4 -13.885 6.634 -3.171 1.00 0.00 C ATOM 934 O VAL 2 4 -12.890 6.738 -3.888 1.00 0.00 O ATOM 935 CB VAL 2 4 -16.206 7.655 -3.461 1.00 0.00 C ATOM 936 CG1 VAL 2 4 -16.997 8.093 -4.695 1.00 0.00 C ATOM 937 CG2 VAL 2 4 -17.145 7.298 -2.307 1.00 0.00 C ATOM 0 H VAL 2 4 -15.878 5.105 -2.336 1.00 0.00 H new ATOM 0 HA VAL 2 4 -15.149 6.483 -4.875 1.00 0.00 H new ATOM 0 HB VAL 2 4 -15.588 8.495 -3.144 1.00 0.00 H new ATOM 0 HG11 VAL 2 4 -17.650 8.925 -4.432 1.00 0.00 H new ATOM 0 HG12 VAL 2 4 -16.306 8.407 -5.477 1.00 0.00 H new ATOM 0 HG13 VAL 2 4 -17.599 7.259 -5.056 1.00 0.00 H new ATOM 0 HG21 VAL 2 4 -17.796 8.146 -2.092 1.00 0.00 H new ATOM 0 HG22 VAL 2 4 -17.752 6.436 -2.585 1.00 0.00 H new ATOM 0 HG23 VAL 2 4 -16.557 7.057 -1.421 1.00 0.00 H new ATOM 947 N GLY 2 5 -13.862 6.640 -1.847 1.00 0.00 N ATOM 948 CA GLY 2 5 -12.609 6.774 -1.122 1.00 0.00 C ATOM 949 C GLY 2 5 -11.745 5.521 -1.282 1.00 0.00 C ATOM 950 O GLY 2 5 -10.709 5.390 -0.633 1.00 0.00 O ATOM 0 H GLY 2 5 -14.690 6.554 -1.257 1.00 0.00 H new ATOM 0 HA2 GLY 2 5 -12.065 7.644 -1.488 1.00 0.00 H new ATOM 0 HA3 GLY 2 5 -12.813 6.947 -0.065 1.00 0.00 H new ATOM 954 N LEU 2 6 -12.205 4.631 -2.150 1.00 0.00 N ATOM 955 CA LEU 2 6 -11.488 3.393 -2.404 1.00 0.00 C ATOM 956 C LEU 2 6 -11.749 2.943 -3.842 1.00 0.00 C ATOM 957 O LEU 2 6 -11.735 1.749 -4.135 1.00 0.00 O ATOM 958 CB LEU 2 6 -11.850 2.340 -1.355 1.00 0.00 C ATOM 959 CG LEU 2 6 -13.345 2.095 -1.139 1.00 0.00 C ATOM 960 CD1 LEU 2 6 -14.038 3.355 -0.619 1.00 0.00 C ATOM 961 CD2 LEU 2 6 -14.003 1.563 -2.414 1.00 0.00 C ATOM 0 H LEU 2 6 -13.066 4.743 -2.686 1.00 0.00 H new ATOM 0 HA LEU 2 6 -10.413 3.549 -2.309 1.00 0.00 H new ATOM 0 HB2 LEU 2 6 -11.385 1.396 -1.641 1.00 0.00 H new ATOM 0 HB3 LEU 2 6 -11.410 2.637 -0.403 1.00 0.00 H new ATOM 0 HG LEU 2 6 -13.458 1.327 -0.374 1.00 0.00 H new ATOM 0 HD11 LEU 2 6 -15.099 3.153 -0.474 1.00 0.00 H new ATOM 0 HD12 LEU 2 6 -13.592 3.650 0.331 1.00 0.00 H new ATOM 0 HD13 LEU 2 6 -13.917 4.161 -1.342 1.00 0.00 H new ATOM 0 HD21 LEU 2 6 -15.065 1.397 -2.233 1.00 0.00 H new ATOM 0 HD22 LEU 2 6 -13.880 2.290 -3.217 1.00 0.00 H new ATOM 0 HD23 LEU 2 6 -13.533 0.622 -2.701 1.00 0.00 H new ATOM 973 N SER 2 7 -11.981 3.925 -4.702 1.00 0.00 N ATOM 974 CA SER 2 7 -12.243 3.645 -6.104 1.00 0.00 C ATOM 975 C SER 2 7 -10.997 3.942 -6.941 1.00 0.00 C ATOM 976 O SER 2 7 -10.017 4.483 -6.430 1.00 0.00 O ATOM 977 CB SER 2 7 -13.432 4.461 -6.615 1.00 0.00 C ATOM 978 OG SER 2 7 -13.065 5.803 -6.924 1.00 0.00 O ATOM 0 H SER 2 7 -11.993 4.915 -4.455 1.00 0.00 H new ATOM 0 HA SER 2 7 -12.493 2.588 -6.200 1.00 0.00 H new ATOM 0 HB2 SER 2 7 -13.844 3.984 -7.504 1.00 0.00 H new ATOM 0 HB3 SER 2 7 -14.220 4.465 -5.862 1.00 0.00 H new ATOM 0 HG SER 2 7 -12.951 6.311 -6.093 1.00 0.00 H new ATOM 984 N ALA 2 8 -11.076 3.577 -8.211 1.00 0.00 N ATOM 985 CA ALA 2 8 -9.967 3.797 -9.123 1.00 0.00 C ATOM 986 C ALA 2 8 -9.860 5.291 -9.438 1.00 0.00 C ATOM 987 O ALA 2 8 -8.944 5.717 -10.141 1.00 0.00 O ATOM 988 CB ALA 2 8 -10.162 2.949 -10.380 1.00 0.00 C ATOM 0 H ALA 2 8 -11.891 3.130 -8.631 1.00 0.00 H new ATOM 0 HA ALA 2 8 -9.027 3.488 -8.665 1.00 0.00 H new ATOM 0 HB1 ALA 2 8 -9.329 3.115 -11.064 1.00 0.00 H new ATOM 0 HB2 ALA 2 8 -10.202 1.895 -10.105 1.00 0.00 H new ATOM 0 HB3 ALA 2 8 -11.094 3.232 -10.869 1.00 0.00 H new ATOM 994 N ASN 2 9 -10.809 6.045 -8.903 1.00 0.00 N ATOM 995 CA ASN 2 9 -10.834 7.481 -9.120 1.00 0.00 C ATOM 996 C ASN 2 9 -10.263 8.188 -7.888 1.00 0.00 C ATOM 997 O ASN 2 9 -10.144 9.412 -7.870 1.00 0.00 O ATOM 998 CB ASN 2 9 -12.264 7.982 -9.330 1.00 0.00 C ATOM 999 CG ASN 2 9 -12.359 8.861 -10.579 1.00 0.00 C ATOM 1000 OD1 ASN 2 9 -12.742 8.422 -11.651 1.00 0.00 O ATOM 1001 ND2 ASN 2 9 -11.989 10.123 -10.382 1.00 0.00 N ATOM 0 H ASN 2 9 -11.566 5.688 -8.320 1.00 0.00 H new ATOM 0 HA ASN 2 9 -10.241 7.698 -10.009 1.00 0.00 H new ATOM 0 HB2 ASN 2 9 -12.940 7.133 -9.426 1.00 0.00 H new ATOM 0 HB3 ASN 2 9 -12.587 8.549 -8.457 1.00 0.00 H new ATOM 0 HD21 ASN 2 9 -12.016 10.789 -11.154 1.00 0.00 H new ATOM 0 HD22 ASN 2 9 -11.678 10.425 -9.459 1.00 0.00 H new ATOM 1008 N GLN 2 10 -9.924 7.386 -6.889 1.00 0.00 N ATOM 1009 CA GLN 2 10 -9.367 7.919 -5.658 1.00 0.00 C ATOM 1010 C GLN 2 10 -7.995 8.540 -5.920 1.00 0.00 C ATOM 1011 O GLN 2 10 -7.640 9.550 -5.313 1.00 0.00 O ATOM 1012 CB GLN 2 10 -9.282 6.835 -4.581 1.00 0.00 C ATOM 1013 CG GLN 2 10 -10.312 7.076 -3.476 1.00 0.00 C ATOM 1014 CD GLN 2 10 -9.630 7.490 -2.171 1.00 0.00 C ATOM 1015 OE1 GLN 2 10 -9.850 8.566 -1.640 1.00 0.00 O ATOM 1016 NE2 GLN 2 10 -8.793 6.578 -1.685 1.00 0.00 N ATOM 0 H GLN 2 10 -10.025 6.371 -6.907 1.00 0.00 H new ATOM 0 HA GLN 2 10 -10.032 8.700 -5.290 1.00 0.00 H new ATOM 0 HB2 GLN 2 10 -9.449 5.857 -5.031 1.00 0.00 H new ATOM 0 HB3 GLN 2 10 -8.280 6.822 -4.152 1.00 0.00 H new ATOM 0 HG2 GLN 2 10 -11.010 7.853 -3.788 1.00 0.00 H new ATOM 0 HG3 GLN 2 10 -10.895 6.170 -3.314 1.00 0.00 H new ATOM 0 HE21 GLN 2 10 -8.655 5.697 -2.180 1.00 0.00 H new ATOM 0 HE22 GLN 2 10 -8.289 6.759 -0.817 1.00 0.00 H new ATOM 1025 N CYS 2 11 -7.259 7.912 -6.825 1.00 0.00 N ATOM 1026 CA CYS 2 11 -5.933 8.391 -7.176 1.00 0.00 C ATOM 1027 C CYS 2 11 -6.082 9.726 -7.908 1.00 0.00 C ATOM 1028 O CYS 2 11 -5.097 10.425 -8.140 1.00 0.00 O ATOM 1029 CB CYS 2 11 -5.164 7.366 -8.010 1.00 0.00 C ATOM 1030 SG CYS 2 11 -4.282 6.091 -7.038 1.00 0.00 S ATOM 0 H CYS 2 11 -7.556 7.075 -7.326 1.00 0.00 H new ATOM 0 HA CYS 2 11 -5.346 8.539 -6.270 1.00 0.00 H new ATOM 0 HB2 CYS 2 11 -5.862 6.870 -8.684 1.00 0.00 H new ATOM 0 HB3 CYS 2 11 -4.441 7.894 -8.632 1.00 0.00 H new ATOM 1035 N ALA 2 12 -7.323 10.041 -8.251 1.00 0.00 N ATOM 1036 CA ALA 2 12 -7.614 11.280 -8.951 1.00 0.00 C ATOM 1037 C ALA 2 12 -8.541 12.142 -8.091 1.00 0.00 C ATOM 1038 O ALA 2 12 -9.231 13.021 -8.605 1.00 0.00 O ATOM 1039 CB ALA 2 12 -8.218 10.963 -10.321 1.00 0.00 C ATOM 0 H ALA 2 12 -8.138 9.459 -8.057 1.00 0.00 H new ATOM 0 HA ALA 2 12 -6.699 11.848 -9.121 1.00 0.00 H new ATOM 0 HB1 ALA 2 12 -8.436 11.893 -10.846 1.00 0.00 H new ATOM 0 HB2 ALA 2 12 -7.509 10.375 -10.904 1.00 0.00 H new ATOM 0 HB3 ALA 2 12 -9.139 10.395 -10.190 1.00 0.00 H new ATOM 1045 N VAL 2 13 -8.526 11.860 -6.796 1.00 0.00 N ATOM 1046 CA VAL 2 13 -9.356 12.598 -5.860 1.00 0.00 C ATOM 1047 C VAL 2 13 -9.280 14.092 -6.186 1.00 0.00 C ATOM 1048 O VAL 2 13 -8.419 14.520 -6.953 1.00 0.00 O ATOM 1049 CB VAL 2 13 -8.938 12.278 -4.424 1.00 0.00 C ATOM 1050 CG1 VAL 2 13 -8.224 13.469 -3.782 1.00 0.00 C ATOM 1051 CG2 VAL 2 13 -10.141 11.844 -3.586 1.00 0.00 C ATOM 0 H VAL 2 13 -7.952 11.130 -6.374 1.00 0.00 H new ATOM 0 HA VAL 2 13 -10.399 12.297 -5.955 1.00 0.00 H new ATOM 0 HB VAL 2 13 -8.236 11.445 -4.458 1.00 0.00 H new ATOM 0 HG11 VAL 2 13 -7.938 13.215 -2.762 1.00 0.00 H new ATOM 0 HG12 VAL 2 13 -7.332 13.713 -4.359 1.00 0.00 H new ATOM 0 HG13 VAL 2 13 -8.893 14.329 -3.767 1.00 0.00 H new ATOM 0 HG21 VAL 2 13 -9.816 11.623 -2.570 1.00 0.00 H new ATOM 0 HG22 VAL 2 13 -10.878 12.647 -3.564 1.00 0.00 H new ATOM 0 HG23 VAL 2 13 -10.588 10.953 -4.026 1.00 0.00 H new ATOM 1061 N PRO 2 14 -10.216 14.862 -5.570 1.00 0.00 N ATOM 1062 CA PRO 2 14 -10.263 16.299 -5.787 1.00 0.00 C ATOM 1063 C PRO 2 14 -9.135 17.004 -5.032 1.00 0.00 C ATOM 1064 O PRO 2 14 -9.256 18.177 -4.680 1.00 0.00 O ATOM 1065 CB PRO 2 14 -11.646 16.721 -5.319 1.00 0.00 C ATOM 1066 CG PRO 2 14 -12.149 15.594 -4.432 1.00 0.00 C ATOM 1067 CD PRO 2 14 -11.250 14.390 -4.655 1.00 0.00 C ATOM 0 HA PRO 2 14 -10.109 16.573 -6.831 1.00 0.00 H new ATOM 0 HB2 PRO 2 14 -11.602 17.661 -4.769 1.00 0.00 H new ATOM 0 HB3 PRO 2 14 -12.314 16.879 -6.166 1.00 0.00 H new ATOM 0 HG2 PRO 2 14 -12.131 15.895 -3.385 1.00 0.00 H new ATOM 0 HG3 PRO 2 14 -13.183 15.349 -4.675 1.00 0.00 H new ATOM 0 HD2 PRO 2 14 -10.819 14.039 -3.717 1.00 0.00 H new ATOM 0 HD3 PRO 2 14 -11.805 13.555 -5.082 1.00 0.00 H new ATOM 1075 N ALA 2 15 -8.062 16.260 -4.803 1.00 0.00 N ATOM 1076 CA ALA 2 15 -6.914 16.800 -4.096 1.00 0.00 C ATOM 1077 C ALA 2 15 -7.391 17.534 -2.841 1.00 0.00 C ATOM 1078 O ALA 2 15 -7.306 18.758 -2.763 1.00 0.00 O ATOM 1079 CB ALA 2 15 -6.117 17.708 -5.034 1.00 0.00 C ATOM 0 H ALA 2 15 -7.964 15.288 -5.095 1.00 0.00 H new ATOM 0 HA ALA 2 15 -6.249 15.998 -3.776 1.00 0.00 H new ATOM 0 HB1 ALA 2 15 -5.256 18.113 -4.503 1.00 0.00 H new ATOM 0 HB2 ALA 2 15 -5.775 17.132 -5.894 1.00 0.00 H new ATOM 0 HB3 ALA 2 15 -6.751 18.527 -5.374 1.00 0.00 H new ATOM 1085 N LYS 2 16 -7.883 16.754 -1.890 1.00 0.00 N ATOM 1086 CA LYS 2 16 -8.375 17.314 -0.642 1.00 0.00 C ATOM 1087 C LYS 2 16 -9.209 16.262 0.091 1.00 0.00 C ATOM 1088 O LYS 2 16 -10.264 16.573 0.641 1.00 0.00 O ATOM 1089 CB LYS 2 16 -9.124 18.622 -0.901 1.00 0.00 C ATOM 1090 CG LYS 2 16 -9.959 18.532 -2.180 1.00 0.00 C ATOM 1091 CD LYS 2 16 -11.441 18.776 -1.886 1.00 0.00 C ATOM 1092 CE LYS 2 16 -12.120 17.496 -1.395 1.00 0.00 C ATOM 1093 NZ LYS 2 16 -12.683 17.695 -0.040 1.00 0.00 N ATOM 0 H LYS 2 16 -7.952 15.739 -1.958 1.00 0.00 H new ATOM 0 HA LYS 2 16 -7.543 17.574 0.013 1.00 0.00 H new ATOM 0 HB2 LYS 2 16 -9.772 18.848 -0.054 1.00 0.00 H new ATOM 0 HB3 LYS 2 16 -8.412 19.443 -0.985 1.00 0.00 H new ATOM 0 HG2 LYS 2 16 -9.603 19.265 -2.904 1.00 0.00 H new ATOM 0 HG3 LYS 2 16 -9.832 17.549 -2.633 1.00 0.00 H new ATOM 0 HD2 LYS 2 16 -11.542 19.558 -1.133 1.00 0.00 H new ATOM 0 HD3 LYS 2 16 -11.940 19.134 -2.786 1.00 0.00 H new ATOM 0 HE2 LYS 2 16 -12.913 17.210 -2.086 1.00 0.00 H new ATOM 0 HE3 LYS 2 16 -11.400 16.678 -1.380 1.00 0.00 H new ATOM 0 HZ1 LYS 2 16 -13.549 17.128 0.063 1.00 0.00 H new ATOM 0 HZ2 LYS 2 16 -11.987 17.396 0.673 1.00 0.00 H new ATOM 0 HZ3 LYS 2 16 -12.910 18.701 0.098 1.00 0.00 H new ATOM 1107 N ASP 2 17 -8.704 15.036 0.077 1.00 0.00 N ATOM 1108 CA ASP 2 17 -9.389 13.936 0.733 1.00 0.00 C ATOM 1109 C ASP 2 17 -8.413 12.773 0.921 1.00 0.00 C ATOM 1110 O ASP 2 17 -8.825 11.658 1.238 1.00 0.00 O ATOM 1111 CB ASP 2 17 -10.563 13.438 -0.110 1.00 0.00 C ATOM 1112 CG ASP 2 17 -11.616 12.636 0.657 1.00 0.00 C ATOM 1113 OD1 ASP 2 17 -11.612 12.740 1.903 1.00 0.00 O ATOM 1114 OD2 ASP 2 17 -12.402 11.938 -0.018 1.00 0.00 O ATOM 0 H ASP 2 17 -7.828 14.781 -0.379 1.00 0.00 H new ATOM 0 HA ASP 2 17 -9.761 14.294 1.693 1.00 0.00 H new ATOM 0 HB2 ASP 2 17 -11.049 14.297 -0.573 1.00 0.00 H new ATOM 0 HB3 ASP 2 17 -10.174 12.818 -0.918 1.00 0.00 H new ATOM 1119 N ARG 2 18 -7.139 13.072 0.718 1.00 0.00 N ATOM 1120 CA ARG 2 18 -6.102 12.065 0.860 1.00 0.00 C ATOM 1121 C ARG 2 18 -5.582 12.039 2.300 1.00 0.00 C ATOM 1122 O ARG 2 18 -6.029 12.818 3.139 1.00 0.00 O ATOM 1123 CB ARG 2 18 -4.934 12.337 -0.090 1.00 0.00 C ATOM 1124 CG ARG 2 18 -5.433 12.570 -1.518 1.00 0.00 C ATOM 1125 CD ARG 2 18 -4.582 13.624 -2.230 1.00 0.00 C ATOM 1126 NE ARG 2 18 -4.847 13.588 -3.686 1.00 0.00 N ATOM 1127 CZ ARG 2 18 -4.106 14.228 -4.601 1.00 0.00 C ATOM 1128 NH1 ARG 2 18 -3.052 14.960 -4.215 1.00 0.00 N ATOM 1129 NH2 ARG 2 18 -4.421 14.139 -5.901 1.00 0.00 N ATOM 0 H ARG 2 18 -6.801 13.998 0.456 1.00 0.00 H new ATOM 0 HA ARG 2 18 -6.542 11.100 0.609 1.00 0.00 H new ATOM 0 HB2 ARG 2 18 -4.378 13.210 0.252 1.00 0.00 H new ATOM 0 HB3 ARG 2 18 -4.244 11.493 -0.075 1.00 0.00 H new ATOM 0 HG2 ARG 2 18 -5.401 11.634 -2.076 1.00 0.00 H new ATOM 0 HG3 ARG 2 18 -6.474 12.892 -1.495 1.00 0.00 H new ATOM 0 HD2 ARG 2 18 -4.809 14.614 -1.835 1.00 0.00 H new ATOM 0 HD3 ARG 2 18 -3.525 13.439 -2.040 1.00 0.00 H new ATOM 0 HE ARG 2 18 -5.644 13.042 -4.013 1.00 0.00 H new ATOM 0 HH11 ARG 2 18 -2.814 15.030 -3.226 1.00 0.00 H new ATOM 0 HH12 ARG 2 18 -2.487 15.447 -4.911 1.00 0.00 H new ATOM 0 HH21 ARG 2 18 -5.225 13.584 -6.194 1.00 0.00 H new ATOM 0 HH22 ARG 2 18 -3.857 14.626 -6.597 1.00 0.00 H new ATOM 1143 N VAL 2 19 -4.646 11.132 2.541 1.00 0.00 N ATOM 1144 CA VAL 2 19 -4.062 10.993 3.864 1.00 0.00 C ATOM 1145 C VAL 2 19 -2.619 11.503 3.836 1.00 0.00 C ATOM 1146 O VAL 2 19 -1.821 11.166 4.707 1.00 0.00 O ATOM 1147 CB VAL 2 19 -4.173 9.542 4.336 1.00 0.00 C ATOM 1148 CG1 VAL 2 19 -3.832 9.422 5.822 1.00 0.00 C ATOM 1149 CG2 VAL 2 19 -5.565 8.977 4.044 1.00 0.00 C ATOM 0 H VAL 2 19 -4.278 10.486 1.842 1.00 0.00 H new ATOM 0 HA VAL 2 19 -4.608 11.599 4.587 1.00 0.00 H new ATOM 0 HB VAL 2 19 -3.447 8.950 3.778 1.00 0.00 H new ATOM 0 HG11 VAL 2 19 -3.919 8.381 6.132 1.00 0.00 H new ATOM 0 HG12 VAL 2 19 -2.812 9.767 5.990 1.00 0.00 H new ATOM 0 HG13 VAL 2 19 -4.522 10.033 6.404 1.00 0.00 H new ATOM 0 HG21 VAL 2 19 -5.618 7.944 4.389 1.00 0.00 H new ATOM 0 HG22 VAL 2 19 -6.316 9.572 4.564 1.00 0.00 H new ATOM 0 HG23 VAL 2 19 -5.754 9.011 2.971 1.00 0.00 H new ATOM 1159 N ASP 2 20 -2.330 12.307 2.823 1.00 0.00 N ATOM 1160 CA ASP 2 20 -0.998 12.867 2.669 1.00 0.00 C ATOM 1161 C ASP 2 20 0.034 11.869 3.199 1.00 0.00 C ATOM 1162 O ASP 2 20 0.453 11.957 4.352 1.00 0.00 O ATOM 1163 CB ASP 2 20 -0.850 14.166 3.464 1.00 0.00 C ATOM 1164 CG ASP 2 20 0.575 14.494 3.909 1.00 0.00 C ATOM 1165 OD1 ASP 2 20 1.501 14.164 3.137 1.00 0.00 O ATOM 1166 OD2 ASP 2 20 0.708 15.067 5.012 1.00 0.00 O ATOM 0 H ASP 2 20 -2.995 12.584 2.101 1.00 0.00 H new ATOM 0 HA ASP 2 20 -0.839 13.072 1.610 1.00 0.00 H new ATOM 0 HB2 ASP 2 20 -1.223 14.990 2.856 1.00 0.00 H new ATOM 0 HB3 ASP 2 20 -1.486 14.108 4.347 1.00 0.00 H new ATOM 1171 N CYS 2 21 0.415 10.943 2.331 1.00 0.00 N ATOM 1172 CA CYS 2 21 1.390 9.930 2.698 1.00 0.00 C ATOM 1173 C CYS 2 21 2.581 10.626 3.360 1.00 0.00 C ATOM 1174 O CYS 2 21 3.167 10.099 4.303 1.00 0.00 O ATOM 1175 CB CYS 2 21 1.816 9.093 1.490 1.00 0.00 C ATOM 1176 SG CYS 2 21 1.914 7.293 1.800 1.00 0.00 S ATOM 0 H CYS 2 21 0.066 10.873 1.375 1.00 0.00 H new ATOM 0 HA CYS 2 21 0.943 9.229 3.404 1.00 0.00 H new ATOM 0 HB2 CYS 2 21 1.112 9.270 0.677 1.00 0.00 H new ATOM 0 HB3 CYS 2 21 2.791 9.442 1.149 1.00 0.00 H new ATOM 1181 N GLY 2 22 2.904 11.800 2.837 1.00 0.00 N ATOM 1182 CA GLY 2 22 4.014 12.574 3.365 1.00 0.00 C ATOM 1183 C GLY 2 22 5.273 11.713 3.488 1.00 0.00 C ATOM 1184 O GLY 2 22 5.818 11.556 4.580 1.00 0.00 O ATOM 0 H GLY 2 22 2.416 12.234 2.053 1.00 0.00 H new ATOM 0 HA2 GLY 2 22 4.213 13.424 2.712 1.00 0.00 H new ATOM 0 HA3 GLY 2 22 3.748 12.978 4.342 1.00 0.00 H new ATOM 1188 N TYR 2 23 5.699 11.178 2.353 1.00 0.00 N ATOM 1189 CA TYR 2 23 6.884 10.338 2.319 1.00 0.00 C ATOM 1190 C TYR 2 23 8.138 11.170 2.047 1.00 0.00 C ATOM 1191 O TYR 2 23 8.101 12.123 1.270 1.00 0.00 O ATOM 1192 CB TYR 2 23 6.674 9.360 1.162 1.00 0.00 C ATOM 1193 CG TYR 2 23 6.416 7.918 1.605 1.00 0.00 C ATOM 1194 CD1 TYR 2 23 7.476 7.096 1.929 1.00 0.00 C ATOM 1195 CD2 TYR 2 23 5.123 7.439 1.681 1.00 0.00 C ATOM 1196 CE1 TYR 2 23 7.234 5.739 2.346 1.00 0.00 C ATOM 1197 CE2 TYR 2 23 4.880 6.084 2.098 1.00 0.00 C ATOM 1198 CZ TYR 2 23 5.948 5.299 2.410 1.00 0.00 C ATOM 1199 OH TYR 2 23 5.718 4.018 2.804 1.00 0.00 O ATOM 0 H TYR 2 23 5.244 11.310 1.450 1.00 0.00 H new ATOM 0 HA TYR 2 23 7.023 9.832 3.274 1.00 0.00 H new ATOM 0 HB2 TYR 2 23 5.831 9.701 0.560 1.00 0.00 H new ATOM 0 HB3 TYR 2 23 7.554 9.380 0.519 1.00 0.00 H new ATOM 0 HD1 TYR 2 23 8.487 7.470 1.870 1.00 0.00 H new ATOM 0 HD2 TYR 2 23 4.294 8.082 1.427 1.00 0.00 H new ATOM 0 HE1 TYR 2 23 8.055 5.085 2.602 1.00 0.00 H new ATOM 0 HE2 TYR 2 23 3.873 5.698 2.162 1.00 0.00 H new ATOM 0 HH TYR 2 23 4.940 3.663 2.325 1.00 0.00 H new ATOM 1209 N PRO 2 24 9.251 10.769 2.720 1.00 0.00 N ATOM 1210 CA PRO 2 24 10.515 11.466 2.558 1.00 0.00 C ATOM 1211 C PRO 2 24 11.162 11.124 1.214 1.00 0.00 C ATOM 1212 O PRO 2 24 12.221 11.653 0.878 1.00 0.00 O ATOM 1213 CB PRO 2 24 11.357 11.036 3.749 1.00 0.00 C ATOM 1214 CG PRO 2 24 10.711 9.766 4.278 1.00 0.00 C ATOM 1215 CD PRO 2 24 9.333 9.645 3.648 1.00 0.00 C ATOM 0 HA PRO 2 24 10.398 12.550 2.540 1.00 0.00 H new ATOM 0 HB2 PRO 2 24 12.390 10.854 3.452 1.00 0.00 H new ATOM 0 HB3 PRO 2 24 11.377 11.812 4.514 1.00 0.00 H new ATOM 0 HG2 PRO 2 24 11.321 8.897 4.032 1.00 0.00 H new ATOM 0 HG3 PRO 2 24 10.632 9.802 5.365 1.00 0.00 H new ATOM 0 HD2 PRO 2 24 9.217 8.694 3.129 1.00 0.00 H new ATOM 0 HD3 PRO 2 24 8.547 9.695 4.402 1.00 0.00 H new ATOM 1223 N HIS 2 25 10.498 10.241 0.482 1.00 0.00 N ATOM 1224 CA HIS 2 25 10.995 9.823 -0.818 1.00 0.00 C ATOM 1225 C HIS 2 25 9.911 10.036 -1.875 1.00 0.00 C ATOM 1226 O HIS 2 25 10.041 9.571 -3.006 1.00 0.00 O ATOM 1227 CB HIS 2 25 11.498 8.379 -0.768 1.00 0.00 C ATOM 1228 CG HIS 2 25 12.786 8.151 -1.521 1.00 0.00 C ATOM 1229 ND1 HIS 2 25 13.425 6.923 -1.559 1.00 0.00 N ATOM 1230 CD2 HIS 2 25 13.547 9.004 -2.265 1.00 0.00 C ATOM 1231 CE1 HIS 2 25 14.520 7.045 -2.295 1.00 0.00 C ATOM 1232 NE2 HIS 2 25 14.595 8.335 -2.731 1.00 0.00 N ATOM 0 H HIS 2 25 9.621 9.804 0.764 1.00 0.00 H new ATOM 0 HA HIS 2 25 11.852 10.436 -1.098 1.00 0.00 H new ATOM 0 HB2 HIS 2 25 11.642 8.091 0.273 1.00 0.00 H new ATOM 0 HB3 HIS 2 25 10.729 7.723 -1.177 1.00 0.00 H new ATOM 0 HD2 HIS 2 25 13.333 10.047 -2.445 1.00 0.00 H new ATOM 0 HE1 HIS 2 25 15.229 6.260 -2.512 1.00 0.00 H new ATOM 0 HE2 HIS 2 25 15.334 8.722 -3.318 1.00 0.00 H new ATOM 1241 N VAL 2 26 8.865 10.742 -1.470 1.00 0.00 N ATOM 1242 CA VAL 2 26 7.758 11.023 -2.368 1.00 0.00 C ATOM 1243 C VAL 2 26 8.302 11.284 -3.774 1.00 0.00 C ATOM 1244 O VAL 2 26 9.128 12.174 -3.969 1.00 0.00 O ATOM 1245 CB VAL 2 26 6.924 12.185 -1.825 1.00 0.00 C ATOM 1246 CG1 VAL 2 26 7.824 13.307 -1.302 1.00 0.00 C ATOM 1247 CG2 VAL 2 26 5.956 12.709 -2.887 1.00 0.00 C ATOM 0 H VAL 2 26 8.761 11.128 -0.532 1.00 0.00 H new ATOM 0 HA VAL 2 26 7.090 10.164 -2.431 1.00 0.00 H new ATOM 0 HB VAL 2 26 6.333 11.811 -0.989 1.00 0.00 H new ATOM 0 HG11 VAL 2 26 7.207 14.121 -0.922 1.00 0.00 H new ATOM 0 HG12 VAL 2 26 8.454 12.924 -0.499 1.00 0.00 H new ATOM 0 HG13 VAL 2 26 8.453 13.676 -2.112 1.00 0.00 H new ATOM 0 HG21 VAL 2 26 5.376 13.534 -2.475 1.00 0.00 H new ATOM 0 HG22 VAL 2 26 6.519 13.058 -3.752 1.00 0.00 H new ATOM 0 HG23 VAL 2 26 5.282 11.908 -3.192 1.00 0.00 H new ATOM 1257 N THR 2 27 7.817 10.491 -4.719 1.00 0.00 N ATOM 1258 CA THR 2 27 8.243 10.625 -6.101 1.00 0.00 C ATOM 1259 C THR 2 27 7.323 9.823 -7.024 1.00 0.00 C ATOM 1260 O THR 2 27 6.653 8.891 -6.582 1.00 0.00 O ATOM 1261 CB THR 2 27 9.711 10.199 -6.186 1.00 0.00 C ATOM 1262 OG1 THR 2 27 10.375 11.344 -6.715 1.00 0.00 O ATOM 1263 CG2 THR 2 27 9.945 9.113 -7.238 1.00 0.00 C ATOM 0 H THR 2 27 7.133 9.753 -4.554 1.00 0.00 H new ATOM 0 HA THR 2 27 8.169 11.659 -6.439 1.00 0.00 H new ATOM 0 HB THR 2 27 10.041 9.838 -5.212 1.00 0.00 H new ATOM 0 HG1 THR 2 27 11.333 11.156 -6.801 1.00 0.00 H new ATOM 0 HG21 THR 2 27 11.002 8.847 -7.258 1.00 0.00 H new ATOM 0 HG22 THR 2 27 9.354 8.232 -6.989 1.00 0.00 H new ATOM 0 HG23 THR 2 27 9.646 9.485 -8.218 1.00 0.00 H new ATOM 1271 N PRO 2 28 7.319 10.226 -8.323 1.00 0.00 N ATOM 1272 CA PRO 2 28 6.493 9.556 -9.311 1.00 0.00 C ATOM 1273 C PRO 2 28 7.089 8.202 -9.698 1.00 0.00 C ATOM 1274 O PRO 2 28 7.205 7.884 -10.881 1.00 0.00 O ATOM 1275 CB PRO 2 28 6.413 10.525 -10.480 1.00 0.00 C ATOM 1276 CG PRO 2 28 7.571 11.494 -10.298 1.00 0.00 C ATOM 1277 CD PRO 2 28 8.100 11.327 -8.882 1.00 0.00 C ATOM 0 HA PRO 2 28 5.497 9.321 -8.936 1.00 0.00 H new ATOM 0 HB2 PRO 2 28 6.491 9.997 -11.431 1.00 0.00 H new ATOM 0 HB3 PRO 2 28 5.459 11.053 -10.485 1.00 0.00 H new ATOM 0 HG2 PRO 2 28 8.357 11.291 -11.026 1.00 0.00 H new ATOM 0 HG3 PRO 2 28 7.240 12.519 -10.464 1.00 0.00 H new ATOM 0 HD2 PRO 2 28 9.165 11.097 -8.882 1.00 0.00 H new ATOM 0 HD3 PRO 2 28 7.971 12.240 -8.300 1.00 0.00 H new ATOM 1285 N LYS 2 29 7.451 7.438 -8.678 1.00 0.00 N ATOM 1286 CA LYS 2 29 8.033 6.124 -8.895 1.00 0.00 C ATOM 1287 C LYS 2 29 8.352 5.482 -7.543 1.00 0.00 C ATOM 1288 O LYS 2 29 8.591 4.278 -7.465 1.00 0.00 O ATOM 1289 CB LYS 2 29 9.240 6.221 -9.830 1.00 0.00 C ATOM 1290 CG LYS 2 29 9.316 5.005 -10.756 1.00 0.00 C ATOM 1291 CD LYS 2 29 9.717 5.419 -12.173 1.00 0.00 C ATOM 1292 CE LYS 2 29 9.897 4.194 -13.072 1.00 0.00 C ATOM 1293 NZ LYS 2 29 8.749 4.056 -13.995 1.00 0.00 N ATOM 0 H LYS 2 29 7.353 7.704 -7.698 1.00 0.00 H new ATOM 0 HA LYS 2 29 7.321 5.470 -9.398 1.00 0.00 H new ATOM 0 HB2 LYS 2 29 9.171 7.132 -10.425 1.00 0.00 H new ATOM 0 HB3 LYS 2 29 10.155 6.293 -9.242 1.00 0.00 H new ATOM 0 HG2 LYS 2 29 10.039 4.290 -10.364 1.00 0.00 H new ATOM 0 HG3 LYS 2 29 8.350 4.501 -10.780 1.00 0.00 H new ATOM 0 HD2 LYS 2 29 8.954 6.074 -12.594 1.00 0.00 H new ATOM 0 HD3 LYS 2 29 10.645 5.990 -12.140 1.00 0.00 H new ATOM 0 HE2 LYS 2 29 10.821 4.287 -13.643 1.00 0.00 H new ATOM 0 HE3 LYS 2 29 9.989 3.297 -12.460 1.00 0.00 H new ATOM 0 HZ1 LYS 2 29 8.887 3.220 -14.598 1.00 0.00 H new ATOM 0 HZ2 LYS 2 29 7.873 3.946 -13.445 1.00 0.00 H new ATOM 0 HZ3 LYS 2 29 8.679 4.905 -14.591 1.00 0.00 H new ATOM 1307 N GLU 2 30 8.346 6.315 -6.512 1.00 0.00 N ATOM 1308 CA GLU 2 30 8.631 5.843 -5.168 1.00 0.00 C ATOM 1309 C GLU 2 30 7.331 5.651 -4.385 1.00 0.00 C ATOM 1310 O GLU 2 30 7.151 4.639 -3.712 1.00 0.00 O ATOM 1311 CB GLU 2 30 9.574 6.803 -4.439 1.00 0.00 C ATOM 1312 CG GLU 2 30 11.016 6.294 -4.482 1.00 0.00 C ATOM 1313 CD GLU 2 30 11.765 6.872 -5.685 1.00 0.00 C ATOM 1314 OE1 GLU 2 30 12.147 8.060 -5.598 1.00 0.00 O ATOM 1315 OE2 GLU 2 30 11.940 6.114 -6.663 1.00 0.00 O ATOM 0 H GLU 2 30 8.148 7.313 -6.581 1.00 0.00 H new ATOM 0 HA GLU 2 30 9.133 4.878 -5.242 1.00 0.00 H new ATOM 0 HB2 GLU 2 30 9.519 7.790 -4.898 1.00 0.00 H new ATOM 0 HB3 GLU 2 30 9.255 6.915 -3.403 1.00 0.00 H new ATOM 0 HG2 GLU 2 30 11.531 6.570 -3.562 1.00 0.00 H new ATOM 0 HG3 GLU 2 30 11.020 5.205 -4.535 1.00 0.00 H new ATOM 1322 N CYS 2 31 6.457 6.642 -4.501 1.00 0.00 N ATOM 1323 CA CYS 2 31 5.178 6.595 -3.811 1.00 0.00 C ATOM 1324 C CYS 2 31 4.462 5.305 -4.216 1.00 0.00 C ATOM 1325 O CYS 2 31 4.085 4.505 -3.361 1.00 0.00 O ATOM 1326 CB CYS 2 31 4.331 7.835 -4.106 1.00 0.00 C ATOM 1327 SG CYS 2 31 4.961 9.387 -3.368 1.00 0.00 S ATOM 0 H CYS 2 31 6.609 7.480 -5.061 1.00 0.00 H new ATOM 0 HA CYS 2 31 5.342 6.596 -2.733 1.00 0.00 H new ATOM 0 HB2 CYS 2 31 4.264 7.964 -5.186 1.00 0.00 H new ATOM 0 HB3 CYS 2 31 3.318 7.661 -3.742 1.00 0.00 H new ATOM 1332 N ASN 2 32 4.296 5.142 -5.521 1.00 0.00 N ATOM 1333 CA ASN 2 32 3.631 3.963 -6.049 1.00 0.00 C ATOM 1334 C ASN 2 32 4.436 2.718 -5.674 1.00 0.00 C ATOM 1335 O ASN 2 32 3.960 1.595 -5.835 1.00 0.00 O ATOM 1336 CB ASN 2 32 3.534 4.023 -7.575 1.00 0.00 C ATOM 1337 CG ASN 2 32 2.208 4.645 -8.017 1.00 0.00 C ATOM 1338 OD1 ASN 2 32 1.475 4.098 -8.825 1.00 0.00 O ATOM 1339 ND2 ASN 2 32 1.944 5.816 -7.445 1.00 0.00 N ATOM 0 H ASN 2 32 4.611 5.807 -6.228 1.00 0.00 H new ATOM 0 HA ASN 2 32 2.627 3.923 -5.625 1.00 0.00 H new ATOM 0 HB2 ASN 2 32 4.364 4.607 -7.973 1.00 0.00 H new ATOM 0 HB3 ASN 2 32 3.624 3.018 -7.988 1.00 0.00 H new ATOM 0 HD21 ASN 2 32 1.084 6.313 -7.675 1.00 0.00 H new ATOM 0 HD22 ASN 2 32 2.602 6.217 -6.777 1.00 0.00 H new ATOM 1346 N ASN 2 33 5.642 2.958 -5.182 1.00 0.00 N ATOM 1347 CA ASN 2 33 6.519 1.870 -4.784 1.00 0.00 C ATOM 1348 C ASN 2 33 6.298 1.560 -3.301 1.00 0.00 C ATOM 1349 O ASN 2 33 6.400 0.408 -2.882 1.00 0.00 O ATOM 1350 CB ASN 2 33 7.989 2.249 -4.973 1.00 0.00 C ATOM 1351 CG ASN 2 33 8.815 1.037 -5.409 1.00 0.00 C ATOM 1352 OD1 ASN 2 33 8.294 0.005 -5.799 1.00 0.00 O ATOM 1353 ND2 ASN 2 33 10.130 1.219 -5.322 1.00 0.00 N ATOM 0 H ASN 2 33 6.033 3.891 -5.050 1.00 0.00 H new ATOM 0 HA ASN 2 33 6.287 1.005 -5.406 1.00 0.00 H new ATOM 0 HB2 ASN 2 33 8.072 3.038 -5.720 1.00 0.00 H new ATOM 0 HB3 ASN 2 33 8.388 2.649 -4.041 1.00 0.00 H new ATOM 0 HD21 ASN 2 33 10.767 0.469 -5.590 1.00 0.00 H new ATOM 0 HD22 ASN 2 33 10.501 2.108 -4.987 1.00 0.00 H new ATOM 1360 N ARG 2 34 5.999 2.609 -2.549 1.00 0.00 N ATOM 1361 CA ARG 2 34 5.762 2.464 -1.122 1.00 0.00 C ATOM 1362 C ARG 2 34 4.306 2.072 -0.862 1.00 0.00 C ATOM 1363 O ARG 2 34 3.997 1.464 0.160 1.00 0.00 O ATOM 1364 CB ARG 2 34 6.074 3.763 -0.377 1.00 0.00 C ATOM 1365 CG ARG 2 34 7.304 4.453 -0.969 1.00 0.00 C ATOM 1366 CD ARG 2 34 8.410 4.598 0.079 1.00 0.00 C ATOM 1367 NE ARG 2 34 9.699 4.132 -0.479 1.00 0.00 N ATOM 1368 CZ ARG 2 34 10.880 4.273 0.139 1.00 0.00 C ATOM 1369 NH1 ARG 2 34 10.942 4.869 1.338 1.00 0.00 N ATOM 1370 NH2 ARG 2 34 11.999 3.820 -0.442 1.00 0.00 N ATOM 0 H ARG 2 34 5.915 3.563 -2.901 1.00 0.00 H new ATOM 0 HA ARG 2 34 6.424 1.680 -0.755 1.00 0.00 H new ATOM 0 HB2 ARG 2 34 5.216 4.433 -0.431 1.00 0.00 H new ATOM 0 HB3 ARG 2 34 6.245 3.549 0.678 1.00 0.00 H new ATOM 0 HG2 ARG 2 34 7.675 3.878 -1.817 1.00 0.00 H new ATOM 0 HG3 ARG 2 34 7.026 5.436 -1.348 1.00 0.00 H new ATOM 0 HD2 ARG 2 34 8.494 5.639 0.390 1.00 0.00 H new ATOM 0 HD3 ARG 2 34 8.158 4.019 0.968 1.00 0.00 H new ATOM 0 HE ARG 2 34 9.688 3.675 -1.391 1.00 0.00 H new ATOM 0 HH11 ARG 2 34 10.090 5.215 1.780 1.00 0.00 H new ATOM 0 HH12 ARG 2 34 11.841 4.976 1.808 1.00 0.00 H new ATOM 0 HH21 ARG 2 34 11.952 3.368 -1.355 1.00 0.00 H new ATOM 0 HH22 ARG 2 34 12.898 3.928 0.029 1.00 0.00 H new ATOM 1384 N GLY 2 35 3.452 2.435 -1.807 1.00 0.00 N ATOM 1385 CA GLY 2 35 2.036 2.130 -1.694 1.00 0.00 C ATOM 1386 C GLY 2 35 1.199 3.410 -1.659 1.00 0.00 C ATOM 1387 O GLY 2 35 0.095 3.420 -1.116 1.00 0.00 O ATOM 0 H GLY 2 35 3.713 2.938 -2.655 1.00 0.00 H new ATOM 0 HA2 GLY 2 35 1.726 1.512 -2.536 1.00 0.00 H new ATOM 0 HA3 GLY 2 35 1.857 1.550 -0.789 1.00 0.00 H new ATOM 1391 N CYS 2 36 1.756 4.458 -2.246 1.00 0.00 N ATOM 1392 CA CYS 2 36 1.075 5.742 -2.289 1.00 0.00 C ATOM 1393 C CYS 2 36 0.913 6.150 -3.755 1.00 0.00 C ATOM 1394 O CYS 2 36 1.591 5.616 -4.631 1.00 0.00 O ATOM 1395 CB CYS 2 36 1.820 6.806 -1.480 1.00 0.00 C ATOM 1396 SG CYS 2 36 2.218 6.322 0.240 1.00 0.00 S ATOM 0 H CYS 2 36 2.671 4.445 -2.696 1.00 0.00 H new ATOM 0 HA CYS 2 36 0.092 5.651 -1.826 1.00 0.00 H new ATOM 0 HB2 CYS 2 36 2.747 7.053 -1.997 1.00 0.00 H new ATOM 0 HB3 CYS 2 36 1.217 7.714 -1.457 1.00 0.00 H new ATOM 1401 N CYS 2 37 0.009 7.094 -3.977 1.00 0.00 N ATOM 1402 CA CYS 2 37 -0.251 7.579 -5.321 1.00 0.00 C ATOM 1403 C CYS 2 37 0.301 9.002 -5.432 1.00 0.00 C ATOM 1404 O CYS 2 37 -0.040 9.869 -4.629 1.00 0.00 O ATOM 1405 CB CYS 2 37 -1.740 7.516 -5.667 1.00 0.00 C ATOM 1406 SG CYS 2 37 -2.119 6.755 -7.287 1.00 0.00 S ATOM 0 H CYS 2 37 -0.552 7.535 -3.248 1.00 0.00 H new ATOM 0 HA CYS 2 37 0.250 6.938 -6.046 1.00 0.00 H new ATOM 0 HB2 CYS 2 37 -2.256 6.955 -4.888 1.00 0.00 H new ATOM 0 HB3 CYS 2 37 -2.145 8.528 -5.653 1.00 0.00 H new ATOM 1411 N PHE 2 38 1.144 9.199 -6.435 1.00 0.00 N ATOM 1412 CA PHE 2 38 1.747 10.502 -6.663 1.00 0.00 C ATOM 1413 C PHE 2 38 0.863 11.364 -7.566 1.00 0.00 C ATOM 1414 O PHE 2 38 0.583 10.991 -8.704 1.00 0.00 O ATOM 1415 CB PHE 2 38 3.087 10.259 -7.360 1.00 0.00 C ATOM 1416 CG PHE 2 38 4.005 11.483 -7.387 1.00 0.00 C ATOM 1417 CD1 PHE 2 38 4.804 11.756 -6.322 1.00 0.00 C ATOM 1418 CD2 PHE 2 38 4.020 12.298 -8.476 1.00 0.00 C ATOM 1419 CE1 PHE 2 38 5.657 12.891 -6.347 1.00 0.00 C ATOM 1420 CE2 PHE 2 38 4.871 13.434 -8.500 1.00 0.00 C ATOM 1421 CZ PHE 2 38 5.671 13.706 -7.435 1.00 0.00 C ATOM 0 H PHE 2 38 1.424 8.478 -7.100 1.00 0.00 H new ATOM 0 HA PHE 2 38 1.871 11.026 -5.715 1.00 0.00 H new ATOM 0 HB2 PHE 2 38 3.603 9.441 -6.857 1.00 0.00 H new ATOM 0 HB3 PHE 2 38 2.899 9.936 -8.384 1.00 0.00 H new ATOM 0 HD1 PHE 2 38 4.790 11.110 -5.457 1.00 0.00 H new ATOM 0 HD2 PHE 2 38 3.385 12.081 -9.322 1.00 0.00 H new ATOM 0 HE1 PHE 2 38 6.294 13.107 -5.502 1.00 0.00 H new ATOM 0 HE2 PHE 2 38 4.883 14.082 -9.364 1.00 0.00 H new ATOM 0 HZ PHE 2 38 6.318 14.570 -7.453 1.00 0.00 H new ATOM 1431 N ASP 2 39 0.449 12.499 -7.024 1.00 0.00 N ATOM 1432 CA ASP 2 39 -0.397 13.418 -7.768 1.00 0.00 C ATOM 1433 C ASP 2 39 0.468 14.237 -8.728 1.00 0.00 C ATOM 1434 O ASP 2 39 0.590 13.896 -9.903 1.00 0.00 O ATOM 1435 CB ASP 2 39 -1.113 14.391 -6.828 1.00 0.00 C ATOM 1436 CG ASP 2 39 -1.344 15.791 -7.400 1.00 0.00 C ATOM 1437 OD1 ASP 2 39 -2.196 15.898 -8.309 1.00 0.00 O ATOM 1438 OD2 ASP 2 39 -0.663 16.721 -6.918 1.00 0.00 O ATOM 0 H ASP 2 39 0.683 12.804 -6.079 1.00 0.00 H new ATOM 0 HA ASP 2 39 -1.137 12.831 -8.311 1.00 0.00 H new ATOM 0 HB2 ASP 2 39 -2.077 13.964 -6.553 1.00 0.00 H new ATOM 0 HB3 ASP 2 39 -0.531 14.481 -5.911 1.00 0.00 H new ATOM 1443 N SER 2 40 1.044 15.303 -8.192 1.00 0.00 N ATOM 1444 CA SER 2 40 1.894 16.173 -8.986 1.00 0.00 C ATOM 1445 C SER 2 40 1.041 17.216 -9.712 1.00 0.00 C ATOM 1446 O SER 2 40 1.540 18.274 -10.094 1.00 0.00 O ATOM 1447 CB SER 2 40 2.719 15.369 -9.993 1.00 0.00 C ATOM 1448 OG SER 2 40 3.955 16.008 -10.302 1.00 0.00 O ATOM 0 H SER 2 40 0.939 15.584 -7.217 1.00 0.00 H new ATOM 0 HA SER 2 40 2.586 16.681 -8.314 1.00 0.00 H new ATOM 0 HB2 SER 2 40 2.915 14.376 -9.590 1.00 0.00 H new ATOM 0 HB3 SER 2 40 2.142 15.233 -10.908 1.00 0.00 H new ATOM 0 HG SER 2 40 4.453 15.463 -10.947 1.00 0.00 H new ATOM 1454 N ARG 2 41 -0.230 16.881 -9.881 1.00 0.00 N ATOM 1455 CA ARG 2 41 -1.156 17.775 -10.554 1.00 0.00 C ATOM 1456 C ARG 2 41 -1.366 19.044 -9.725 1.00 0.00 C ATOM 1457 O ARG 2 41 -1.409 20.146 -10.270 1.00 0.00 O ATOM 1458 CB ARG 2 41 -2.507 17.095 -10.786 1.00 0.00 C ATOM 1459 CG ARG 2 41 -2.323 15.627 -11.175 1.00 0.00 C ATOM 1460 CD ARG 2 41 -3.306 15.225 -12.276 1.00 0.00 C ATOM 1461 NE ARG 2 41 -2.727 15.524 -13.606 1.00 0.00 N ATOM 1462 CZ ARG 2 41 -1.630 14.933 -14.097 1.00 0.00 C ATOM 1463 NH1 ARG 2 41 -0.986 14.008 -13.374 1.00 0.00 N ATOM 1464 NH2 ARG 2 41 -1.176 15.268 -15.314 1.00 0.00 N ATOM 0 H ARG 2 41 -0.640 16.003 -9.563 1.00 0.00 H new ATOM 0 HA ARG 2 41 -0.723 18.036 -11.520 1.00 0.00 H new ATOM 0 HB2 ARG 2 41 -3.112 17.162 -9.882 1.00 0.00 H new ATOM 0 HB3 ARG 2 41 -3.051 17.618 -11.573 1.00 0.00 H new ATOM 0 HG2 ARG 2 41 -1.301 15.463 -11.517 1.00 0.00 H new ATOM 0 HG3 ARG 2 41 -2.472 14.994 -10.300 1.00 0.00 H new ATOM 0 HD2 ARG 2 41 -3.535 14.162 -12.200 1.00 0.00 H new ATOM 0 HD3 ARG 2 41 -4.246 15.763 -12.150 1.00 0.00 H new ATOM 0 HE ARG 2 41 -3.193 16.224 -14.184 1.00 0.00 H new ATOM 0 HH11 ARG 2 41 -1.331 13.753 -12.449 1.00 0.00 H new ATOM 0 HH12 ARG 2 41 -0.151 13.558 -13.749 1.00 0.00 H new ATOM 0 HH21 ARG 2 41 -1.666 15.973 -15.865 1.00 0.00 H new ATOM 0 HH22 ARG 2 41 -0.341 14.818 -15.688 1.00 0.00 H new ATOM 1478 N ILE 2 42 -1.493 18.847 -8.421 1.00 0.00 N ATOM 1479 CA ILE 2 42 -1.698 19.961 -7.512 1.00 0.00 C ATOM 1480 C ILE 2 42 -0.565 19.989 -6.483 1.00 0.00 C ATOM 1481 O ILE 2 42 -0.511 19.144 -5.591 1.00 0.00 O ATOM 1482 CB ILE 2 42 -3.093 19.894 -6.888 1.00 0.00 C ATOM 1483 CG1 ILE 2 42 -4.077 19.187 -7.822 1.00 0.00 C ATOM 1484 CG2 ILE 2 42 -3.582 21.288 -6.488 1.00 0.00 C ATOM 1485 CD1 ILE 2 42 -5.512 19.319 -7.309 1.00 0.00 C ATOM 0 H ILE 2 42 -1.458 17.932 -7.972 1.00 0.00 H new ATOM 0 HA ILE 2 42 -1.661 20.906 -8.054 1.00 0.00 H new ATOM 0 HB ILE 2 42 -3.032 19.301 -5.976 1.00 0.00 H new ATOM 0 HG12 ILE 2 42 -4.004 19.613 -8.823 1.00 0.00 H new ATOM 0 HG13 ILE 2 42 -3.812 18.133 -7.904 1.00 0.00 H new ATOM 0 HG21 ILE 2 42 -4.576 21.212 -6.047 1.00 0.00 H new ATOM 0 HG22 ILE 2 42 -2.894 21.720 -5.761 1.00 0.00 H new ATOM 0 HG23 ILE 2 42 -3.624 21.926 -7.371 1.00 0.00 H new ATOM 0 HD11 ILE 2 42 -6.191 18.808 -7.991 1.00 0.00 H new ATOM 0 HD12 ILE 2 42 -5.587 18.870 -6.319 1.00 0.00 H new ATOM 0 HD13 ILE 2 42 -5.782 20.373 -7.251 1.00 0.00 H new ATOM 1497 N PRO 2 43 0.335 20.996 -6.647 1.00 0.00 N ATOM 1498 CA PRO 2 43 1.463 21.145 -5.743 1.00 0.00 C ATOM 1499 C PRO 2 43 1.015 21.717 -4.396 1.00 0.00 C ATOM 1500 O PRO 2 43 1.813 21.825 -3.467 1.00 0.00 O ATOM 1501 CB PRO 2 43 2.438 22.049 -6.478 1.00 0.00 C ATOM 1502 CG PRO 2 43 1.629 22.746 -7.559 1.00 0.00 C ATOM 1503 CD PRO 2 43 0.302 22.014 -7.692 1.00 0.00 C ATOM 0 HA PRO 2 43 1.932 20.193 -5.495 1.00 0.00 H new ATOM 0 HB2 PRO 2 43 2.887 22.773 -5.798 1.00 0.00 H new ATOM 0 HB3 PRO 2 43 3.254 21.471 -6.912 1.00 0.00 H new ATOM 0 HG2 PRO 2 43 1.464 23.791 -7.298 1.00 0.00 H new ATOM 0 HG3 PRO 2 43 2.168 22.735 -8.506 1.00 0.00 H new ATOM 0 HD2 PRO 2 43 -0.540 22.693 -7.557 1.00 0.00 H new ATOM 0 HD3 PRO 2 43 0.195 21.565 -8.679 1.00 0.00 H new ATOM 1511 N GLY 2 44 -0.261 22.070 -4.334 1.00 0.00 N ATOM 1512 CA GLY 2 44 -0.825 22.628 -3.118 1.00 0.00 C ATOM 1513 C GLY 2 44 -1.383 21.525 -2.216 1.00 0.00 C ATOM 1514 O GLY 2 44 -1.782 21.789 -1.082 1.00 0.00 O ATOM 0 H GLY 2 44 -0.920 21.980 -5.107 1.00 0.00 H new ATOM 0 HA2 GLY 2 44 -0.059 23.189 -2.582 1.00 0.00 H new ATOM 0 HA3 GLY 2 44 -1.618 23.332 -3.370 1.00 0.00 H new ATOM 1518 N VAL 2 45 -1.393 20.314 -2.753 1.00 0.00 N ATOM 1519 CA VAL 2 45 -1.897 19.171 -2.010 1.00 0.00 C ATOM 1520 C VAL 2 45 -0.791 18.120 -1.891 1.00 0.00 C ATOM 1521 O VAL 2 45 0.340 18.352 -2.315 1.00 0.00 O ATOM 1522 CB VAL 2 45 -3.165 18.632 -2.676 1.00 0.00 C ATOM 1523 CG1 VAL 2 45 -4.002 19.770 -3.264 1.00 0.00 C ATOM 1524 CG2 VAL 2 45 -2.823 17.593 -3.745 1.00 0.00 C ATOM 0 H VAL 2 45 -1.060 20.099 -3.693 1.00 0.00 H new ATOM 0 HA VAL 2 45 -2.177 19.465 -0.999 1.00 0.00 H new ATOM 0 HB VAL 2 45 -3.763 18.139 -1.909 1.00 0.00 H new ATOM 0 HG11 VAL 2 45 -4.897 19.359 -3.731 1.00 0.00 H new ATOM 0 HG12 VAL 2 45 -4.290 20.458 -2.469 1.00 0.00 H new ATOM 0 HG13 VAL 2 45 -3.415 20.305 -4.011 1.00 0.00 H new ATOM 0 HG21 VAL 2 45 -3.742 17.226 -4.203 1.00 0.00 H new ATOM 0 HG22 VAL 2 45 -2.194 18.050 -4.509 1.00 0.00 H new ATOM 0 HG23 VAL 2 45 -2.289 16.761 -3.286 1.00 0.00 H new ATOM 1534 N PRO 2 46 -1.167 16.956 -1.296 1.00 0.00 N ATOM 1535 CA PRO 2 46 -0.221 15.869 -1.116 1.00 0.00 C ATOM 1536 C PRO 2 46 0.044 15.147 -2.438 1.00 0.00 C ATOM 1537 O PRO 2 46 -0.878 14.625 -3.060 1.00 0.00 O ATOM 1538 CB PRO 2 46 -0.851 14.969 -0.065 1.00 0.00 C ATOM 1539 CG PRO 2 46 -2.326 15.333 -0.035 1.00 0.00 C ATOM 1540 CD PRO 2 46 -2.497 16.646 -0.782 1.00 0.00 C ATOM 0 HA PRO 2 46 0.760 16.216 -0.790 1.00 0.00 H new ATOM 0 HB2 PRO 2 46 -0.713 13.918 -0.318 1.00 0.00 H new ATOM 0 HB3 PRO 2 46 -0.390 15.125 0.910 1.00 0.00 H new ATOM 0 HG2 PRO 2 46 -2.922 14.548 -0.501 1.00 0.00 H new ATOM 0 HG3 PRO 2 46 -2.674 15.431 0.993 1.00 0.00 H new ATOM 0 HD2 PRO 2 46 -3.222 16.550 -1.591 1.00 0.00 H new ATOM 0 HD3 PRO 2 46 -2.859 17.433 -0.121 1.00 0.00 H new ATOM 1548 N TRP 2 47 1.311 15.142 -2.829 1.00 0.00 N ATOM 1549 CA TRP 2 47 1.709 14.493 -4.066 1.00 0.00 C ATOM 1550 C TRP 2 47 2.116 13.055 -3.737 1.00 0.00 C ATOM 1551 O TRP 2 47 2.920 12.454 -4.448 1.00 0.00 O ATOM 1552 CB TRP 2 47 2.818 15.281 -4.766 1.00 0.00 C ATOM 1553 CG TRP 2 47 3.014 16.698 -4.221 1.00 0.00 C ATOM 1554 CD1 TRP 2 47 2.255 17.779 -4.442 1.00 0.00 C ATOM 1555 CD2 TRP 2 47 4.074 17.145 -3.350 1.00 0.00 C ATOM 1556 NE1 TRP 2 47 2.745 18.886 -3.780 1.00 0.00 N ATOM 1557 CE2 TRP 2 47 3.887 18.488 -3.094 1.00 0.00 C ATOM 1558 CE3 TRP 2 47 5.156 16.437 -2.795 1.00 0.00 C ATOM 1559 CZ2 TRP 2 47 4.741 19.240 -2.278 1.00 0.00 C ATOM 1560 CZ3 TRP 2 47 6.000 17.203 -1.983 1.00 0.00 C ATOM 1561 CH2 TRP 2 47 5.826 18.555 -1.715 1.00 0.00 C ATOM 0 H TRP 2 47 2.074 15.577 -2.311 1.00 0.00 H new ATOM 0 HA TRP 2 47 0.879 14.467 -4.772 1.00 0.00 H new ATOM 0 HB2 TRP 2 47 3.755 14.733 -4.670 1.00 0.00 H new ATOM 0 HB3 TRP 2 47 2.591 15.340 -5.830 1.00 0.00 H new ATOM 0 HD1 TRP 2 47 1.370 17.784 -5.061 1.00 0.00 H new ATOM 0 HE1 TRP 2 47 2.343 19.824 -3.792 1.00 0.00 H new ATOM 0 HE3 TRP 2 47 5.322 15.386 -2.981 1.00 0.00 H new ATOM 0 HZ2 TRP 2 47 4.573 20.291 -2.093 1.00 0.00 H new ATOM 0 HZ3 TRP 2 47 6.847 16.708 -1.532 1.00 0.00 H new ATOM 0 HH2 TRP 2 47 6.524 19.076 -1.076 1.00 0.00 H new ATOM 1572 N CYS 2 48 1.541 12.544 -2.658 1.00 0.00 N ATOM 1573 CA CYS 2 48 1.833 11.188 -2.226 1.00 0.00 C ATOM 1574 C CYS 2 48 0.824 10.802 -1.143 1.00 0.00 C ATOM 1575 O CYS 2 48 0.920 11.266 -0.007 1.00 0.00 O ATOM 1576 CB CYS 2 48 3.277 11.048 -1.738 1.00 0.00 C ATOM 1577 SG CYS 2 48 3.877 9.325 -1.602 1.00 0.00 S ATOM 0 H CYS 2 48 0.874 13.045 -2.070 1.00 0.00 H new ATOM 0 HA CYS 2 48 1.737 10.505 -3.070 1.00 0.00 H new ATOM 0 HB2 CYS 2 48 3.930 11.593 -2.419 1.00 0.00 H new ATOM 0 HB3 CYS 2 48 3.364 11.526 -0.762 1.00 0.00 H new ATOM 1582 N PHE 2 49 -0.119 9.957 -1.531 1.00 0.00 N ATOM 1583 CA PHE 2 49 -1.144 9.503 -0.607 1.00 0.00 C ATOM 1584 C PHE 2 49 -1.526 8.046 -0.883 1.00 0.00 C ATOM 1585 O PHE 2 49 -0.877 7.372 -1.680 1.00 0.00 O ATOM 1586 CB PHE 2 49 -2.371 10.390 -0.828 1.00 0.00 C ATOM 1587 CG PHE 2 49 -2.506 10.920 -2.257 1.00 0.00 C ATOM 1588 CD1 PHE 2 49 -1.581 11.787 -2.750 1.00 0.00 C ATOM 1589 CD2 PHE 2 49 -3.550 10.525 -3.034 1.00 0.00 C ATOM 1590 CE1 PHE 2 49 -1.706 12.280 -4.076 1.00 0.00 C ATOM 1591 CE2 PHE 2 49 -3.674 11.017 -4.360 1.00 0.00 C ATOM 1592 CZ PHE 2 49 -2.750 11.885 -4.853 1.00 0.00 C ATOM 0 H PHE 2 49 -0.195 9.574 -2.473 1.00 0.00 H new ATOM 0 HA PHE 2 49 -0.775 9.566 0.417 1.00 0.00 H new ATOM 0 HB2 PHE 2 49 -3.267 9.823 -0.576 1.00 0.00 H new ATOM 0 HB3 PHE 2 49 -2.324 11.235 -0.141 1.00 0.00 H new ATOM 0 HD1 PHE 2 49 -0.752 12.100 -2.133 1.00 0.00 H new ATOM 0 HD2 PHE 2 49 -4.285 9.837 -2.642 1.00 0.00 H new ATOM 0 HE1 PHE 2 49 -0.972 12.969 -4.467 1.00 0.00 H new ATOM 0 HE2 PHE 2 49 -4.502 10.702 -4.977 1.00 0.00 H new ATOM 0 HZ PHE 2 49 -2.845 12.260 -5.861 1.00 0.00 H new ATOM 1602 N LYS 2 50 -2.578 7.606 -0.209 1.00 0.00 N ATOM 1603 CA LYS 2 50 -3.054 6.243 -0.372 1.00 0.00 C ATOM 1604 C LYS 2 50 -4.512 6.269 -0.836 1.00 0.00 C ATOM 1605 O LYS 2 50 -5.413 5.896 -0.086 1.00 0.00 O ATOM 1606 CB LYS 2 50 -2.831 5.440 0.911 1.00 0.00 C ATOM 1607 CG LYS 2 50 -2.696 6.367 2.121 1.00 0.00 C ATOM 1608 CD LYS 2 50 -1.229 6.710 2.388 1.00 0.00 C ATOM 1609 CE LYS 2 50 -0.371 5.444 2.440 1.00 0.00 C ATOM 1610 NZ LYS 2 50 -1.121 4.336 3.073 1.00 0.00 N ATOM 0 H LYS 2 50 -3.114 8.169 0.451 1.00 0.00 H new ATOM 0 HA LYS 2 50 -2.482 5.730 -1.145 1.00 0.00 H new ATOM 0 HB2 LYS 2 50 -3.664 4.754 1.065 1.00 0.00 H new ATOM 0 HB3 LYS 2 50 -1.932 4.832 0.812 1.00 0.00 H new ATOM 0 HG2 LYS 2 50 -3.261 7.283 1.947 1.00 0.00 H new ATOM 0 HG3 LYS 2 50 -3.127 5.888 3.000 1.00 0.00 H new ATOM 0 HD2 LYS 2 50 -0.859 7.373 1.606 1.00 0.00 H new ATOM 0 HD3 LYS 2 50 -1.144 7.250 3.331 1.00 0.00 H new ATOM 0 HE2 LYS 2 50 -0.071 5.159 1.432 1.00 0.00 H new ATOM 0 HE3 LYS 2 50 0.543 5.640 3.001 1.00 0.00 H new ATOM 0 HZ1 LYS 2 50 -0.458 3.589 3.363 1.00 0.00 H new ATOM 0 HZ2 LYS 2 50 -1.627 4.692 3.909 1.00 0.00 H new ATOM 0 HZ3 LYS 2 50 -1.805 3.947 2.393 1.00 0.00 H new ATOM 1624 N PRO 2 51 -4.704 6.724 -2.103 1.00 0.00 N ATOM 1625 CA PRO 2 51 -6.037 6.803 -2.676 1.00 0.00 C ATOM 1626 C PRO 2 51 -6.553 5.414 -3.060 1.00 0.00 C ATOM 1627 O PRO 2 51 -7.131 4.712 -2.231 1.00 0.00 O ATOM 1628 CB PRO 2 51 -5.899 7.735 -3.868 1.00 0.00 C ATOM 1629 CG PRO 2 51 -4.415 7.774 -4.197 1.00 0.00 C ATOM 1630 CD PRO 2 51 -3.662 7.174 -3.021 1.00 0.00 C ATOM 0 HA PRO 2 51 -6.775 7.186 -1.971 1.00 0.00 H new ATOM 0 HB2 PRO 2 51 -6.478 7.372 -4.717 1.00 0.00 H new ATOM 0 HB3 PRO 2 51 -6.273 8.731 -3.630 1.00 0.00 H new ATOM 0 HG2 PRO 2 51 -4.211 7.212 -5.108 1.00 0.00 H new ATOM 0 HG3 PRO 2 51 -4.090 8.799 -4.376 1.00 0.00 H new ATOM 0 HD2 PRO 2 51 -3.029 6.345 -3.338 1.00 0.00 H new ATOM 0 HD3 PRO 2 51 -3.011 7.911 -2.550 1.00 0.00 H new ATOM 1638 N LEU 2 52 -6.324 5.059 -4.315 1.00 0.00 N ATOM 1639 CA LEU 2 52 -6.758 3.768 -4.819 1.00 0.00 C ATOM 1640 C LEU 2 52 -5.574 2.799 -4.814 1.00 0.00 C ATOM 1641 O LEU 2 52 -5.425 1.990 -5.729 1.00 0.00 O ATOM 1642 CB LEU 2 52 -7.421 3.921 -6.189 1.00 0.00 C ATOM 1643 CG LEU 2 52 -6.536 3.622 -7.400 1.00 0.00 C ATOM 1644 CD1 LEU 2 52 -6.756 2.194 -7.901 1.00 0.00 C ATOM 1645 CD2 LEU 2 52 -6.750 4.658 -8.505 1.00 0.00 C ATOM 0 H LEU 2 52 -5.843 5.644 -4.999 1.00 0.00 H new ATOM 0 HA LEU 2 52 -7.522 3.343 -4.168 1.00 0.00 H new ATOM 0 HB2 LEU 2 52 -8.288 3.262 -6.226 1.00 0.00 H new ATOM 0 HB3 LEU 2 52 -7.792 4.942 -6.279 1.00 0.00 H new ATOM 0 HG LEU 2 52 -5.494 3.696 -7.088 1.00 0.00 H new ATOM 0 HD11 LEU 2 52 -6.115 2.008 -8.762 1.00 0.00 H new ATOM 0 HD12 LEU 2 52 -6.511 1.488 -7.107 1.00 0.00 H new ATOM 0 HD13 LEU 2 52 -7.799 2.067 -8.191 1.00 0.00 H new ATOM 0 HD21 LEU 2 52 -6.109 4.422 -9.354 1.00 0.00 H new ATOM 0 HD22 LEU 2 52 -7.793 4.642 -8.822 1.00 0.00 H new ATOM 0 HD23 LEU 2 52 -6.501 5.650 -8.127 1.00 0.00 H new ATOM 1657 N GLN 2 53 -4.760 2.913 -3.774 1.00 0.00 N ATOM 1658 CA GLN 2 53 -3.594 2.059 -3.638 1.00 0.00 C ATOM 1659 C GLN 2 53 -3.991 0.589 -3.798 1.00 0.00 C ATOM 1660 O GLN 2 53 -3.150 -0.255 -4.104 1.00 0.00 O ATOM 1661 CB GLN 2 53 -2.893 2.295 -2.299 1.00 0.00 C ATOM 1662 CG GLN 2 53 -2.395 3.738 -2.188 1.00 0.00 C ATOM 1663 CD GLN 2 53 -1.420 4.069 -3.319 1.00 0.00 C ATOM 1664 OE1 GLN 2 53 -1.445 5.142 -3.901 1.00 0.00 O ATOM 1665 NE2 GLN 2 53 -0.562 3.092 -3.597 1.00 0.00 N ATOM 0 H GLN 2 53 -4.886 3.585 -3.017 1.00 0.00 H new ATOM 0 HA GLN 2 53 -2.888 2.313 -4.429 1.00 0.00 H new ATOM 0 HB2 GLN 2 53 -3.581 2.080 -1.481 1.00 0.00 H new ATOM 0 HB3 GLN 2 53 -2.053 1.608 -2.198 1.00 0.00 H new ATOM 0 HG2 GLN 2 53 -3.242 4.423 -2.221 1.00 0.00 H new ATOM 0 HG3 GLN 2 53 -1.905 3.884 -1.226 1.00 0.00 H new ATOM 0 HE21 GLN 2 53 -0.596 2.219 -3.071 1.00 0.00 H new ATOM 0 HE22 GLN 2 53 0.130 3.216 -4.336 1.00 0.00 H new ATOM 1674 N GLU 2 54 -5.272 0.329 -3.582 1.00 0.00 N ATOM 1675 CA GLU 2 54 -5.790 -1.023 -3.697 1.00 0.00 C ATOM 1676 C GLU 2 54 -5.142 -1.740 -4.884 1.00 0.00 C ATOM 1677 O GLU 2 54 -5.046 -2.967 -4.894 1.00 0.00 O ATOM 1678 CB GLU 2 54 -7.315 -1.017 -3.827 1.00 0.00 C ATOM 1679 CG GLU 2 54 -7.757 -0.227 -5.060 1.00 0.00 C ATOM 1680 CD GLU 2 54 -8.880 -0.954 -5.803 1.00 0.00 C ATOM 1681 OE1 GLU 2 54 -8.685 -2.153 -6.092 1.00 0.00 O ATOM 1682 OE2 GLU 2 54 -9.908 -0.292 -6.065 1.00 0.00 O ATOM 0 H GLU 2 54 -5.966 1.032 -3.328 1.00 0.00 H new ATOM 0 HA GLU 2 54 -5.538 -1.567 -2.786 1.00 0.00 H new ATOM 0 HB2 GLU 2 54 -7.682 -2.041 -3.896 1.00 0.00 H new ATOM 0 HB3 GLU 2 54 -7.758 -0.580 -2.932 1.00 0.00 H new ATOM 0 HG2 GLU 2 54 -8.097 0.764 -4.759 1.00 0.00 H new ATOM 0 HG3 GLU 2 54 -6.908 -0.083 -5.728 1.00 0.00 H new ATOM 1689 N ALA 2 55 -4.716 -0.946 -5.853 1.00 0.00 N ATOM 1690 CA ALA 2 55 -4.079 -1.490 -7.041 1.00 0.00 C ATOM 1691 C ALA 2 55 -3.331 -2.772 -6.672 1.00 0.00 C ATOM 1692 O ALA 2 55 -3.685 -3.856 -7.132 1.00 0.00 O ATOM 1693 CB ALA 2 55 -3.160 -0.434 -7.657 1.00 0.00 C ATOM 0 H ALA 2 55 -4.799 0.071 -5.841 1.00 0.00 H new ATOM 0 HA ALA 2 55 -4.825 -1.749 -7.792 1.00 0.00 H new ATOM 0 HB1 ALA 2 55 -2.682 -0.842 -8.548 1.00 0.00 H new ATOM 0 HB2 ALA 2 55 -3.746 0.444 -7.929 1.00 0.00 H new ATOM 0 HB3 ALA 2 55 -2.396 -0.150 -6.933 1.00 0.00 H new ATOM 1699 N GLU 2 56 -2.310 -2.605 -5.844 1.00 0.00 N ATOM 1700 CA GLU 2 56 -1.508 -3.735 -5.408 1.00 0.00 C ATOM 1701 C GLU 2 56 -1.133 -3.582 -3.933 1.00 0.00 C ATOM 1702 O GLU 2 56 -0.253 -4.285 -3.436 1.00 0.00 O ATOM 1703 CB GLU 2 56 -0.259 -3.890 -6.278 1.00 0.00 C ATOM 1704 CG GLU 2 56 -0.373 -5.116 -7.187 1.00 0.00 C ATOM 1705 CD GLU 2 56 0.353 -4.883 -8.514 1.00 0.00 C ATOM 1706 OE1 GLU 2 56 -0.111 -4.001 -9.267 1.00 0.00 O ATOM 1707 OE2 GLU 2 56 1.354 -5.595 -8.745 1.00 0.00 O ATOM 0 H GLU 2 56 -2.020 -1.704 -5.464 1.00 0.00 H new ATOM 0 HA GLU 2 56 -2.103 -4.642 -5.520 1.00 0.00 H new ATOM 0 HB2 GLU 2 56 -0.120 -2.995 -6.884 1.00 0.00 H new ATOM 0 HB3 GLU 2 56 0.622 -3.984 -5.643 1.00 0.00 H new ATOM 0 HG2 GLU 2 56 0.050 -5.986 -6.685 1.00 0.00 H new ATOM 0 HG3 GLU 2 56 -1.424 -5.336 -7.377 1.00 0.00 H new ATOM 1714 N CYS 2 57 -1.818 -2.659 -3.274 1.00 0.00 N ATOM 1715 CA CYS 2 57 -1.567 -2.405 -1.865 1.00 0.00 C ATOM 1716 C CYS 2 57 -2.490 -3.307 -1.043 1.00 0.00 C ATOM 1717 O CYS 2 57 -2.027 -4.057 -0.183 1.00 0.00 O ATOM 1718 CB CYS 2 57 -1.754 -0.927 -1.515 1.00 0.00 C ATOM 1719 SG CYS 2 57 -0.380 -0.185 -0.563 1.00 0.00 S ATOM 0 H CYS 2 57 -2.546 -2.078 -3.689 1.00 0.00 H new ATOM 0 HA CYS 2 57 -0.529 -2.638 -1.630 1.00 0.00 H new ATOM 0 HB2 CYS 2 57 -1.884 -0.363 -2.439 1.00 0.00 H new ATOM 0 HB3 CYS 2 57 -2.675 -0.817 -0.942 1.00 0.00 H new ATOM 1724 N THR 2 58 -3.778 -3.206 -1.334 1.00 0.00 N ATOM 1725 CA THR 2 58 -4.769 -4.004 -0.633 1.00 0.00 C ATOM 1726 C THR 2 58 -4.517 -5.495 -0.867 1.00 0.00 C ATOM 1727 O THR 2 58 -4.588 -6.294 0.065 1.00 0.00 O ATOM 1728 CB THR 2 58 -6.156 -3.543 -1.088 1.00 0.00 C ATOM 1729 OG1 THR 2 58 -7.041 -4.104 -0.123 1.00 0.00 O ATOM 1730 CG2 THR 2 58 -6.584 -4.189 -2.407 1.00 0.00 C ATOM 0 H THR 2 58 -4.159 -2.583 -2.046 1.00 0.00 H new ATOM 0 HA THR 2 58 -4.701 -3.861 0.445 1.00 0.00 H new ATOM 0 HB THR 2 58 -6.161 -2.458 -1.197 1.00 0.00 H new ATOM 0 HG1 THR 2 58 -7.963 -3.854 -0.340 1.00 0.00 H new ATOM 0 HG21 THR 2 58 -7.574 -3.828 -2.684 1.00 0.00 H new ATOM 0 HG22 THR 2 58 -5.871 -3.928 -3.188 1.00 0.00 H new ATOM 0 HG23 THR 2 58 -6.612 -5.272 -2.289 1.00 0.00 H new ATOM 1738 N PHE 2 59 -4.229 -5.824 -2.118 1.00 0.00 N ATOM 1739 CA PHE 2 59 -3.965 -7.205 -2.486 1.00 0.00 C ATOM 1740 C PHE 2 59 -2.721 -7.735 -1.773 1.00 0.00 C ATOM 1741 O PHE 2 59 -2.075 -8.666 -2.254 1.00 0.00 O ATOM 1742 CB PHE 2 59 -3.722 -7.226 -3.997 1.00 0.00 C ATOM 1743 CG PHE 2 59 -4.974 -7.525 -4.825 1.00 0.00 C ATOM 1744 CD1 PHE 2 59 -6.052 -6.700 -4.750 1.00 0.00 C ATOM 1745 CD2 PHE 2 59 -5.007 -8.616 -5.636 1.00 0.00 C ATOM 1746 CE1 PHE 2 59 -7.213 -6.978 -5.519 1.00 0.00 C ATOM 1747 CE2 PHE 2 59 -6.169 -8.894 -6.404 1.00 0.00 C ATOM 1748 CZ PHE 2 59 -7.247 -8.069 -6.330 1.00 0.00 C ATOM 0 H PHE 2 59 -4.173 -5.159 -2.889 1.00 0.00 H new ATOM 0 HA PHE 2 59 -4.808 -7.834 -2.201 1.00 0.00 H new ATOM 0 HB2 PHE 2 59 -3.318 -6.261 -4.303 1.00 0.00 H new ATOM 0 HB3 PHE 2 59 -2.963 -7.975 -4.222 1.00 0.00 H new ATOM 0 HD1 PHE 2 59 -6.025 -5.834 -4.106 1.00 0.00 H new ATOM 0 HD2 PHE 2 59 -4.150 -9.271 -5.696 1.00 0.00 H new ATOM 0 HE1 PHE 2 59 -8.069 -6.323 -5.460 1.00 0.00 H new ATOM 0 HE2 PHE 2 59 -6.196 -9.761 -7.047 1.00 0.00 H new ATOM 0 HZ PHE 2 59 -8.130 -8.280 -6.915 1.00 0.00 H new TER 1758 PHE 2 59