USER MOD reduce.3.24.130724 H: found=0, std=0, add=846, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 842 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : 1 1 GLU N :NH3+ -144:sc= 0 (180deg=-0.531) USER MOD Single : 1 3 TYR OH : rot 180:sc= 0 USER MOD Single : 1 7 SER OG : rot 129:sc= 0.193 USER MOD Single : 1 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : 1 10 GLN :FLIP amide:sc= -3.61 F(o=-8!,f=-3.6) USER MOD Single : 1 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 23 TYR OH : rot 39:sc= -1.21 USER MOD Single : 1 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : 1 27 THR OG1 : rot 180:sc=-0.00948 USER MOD Single : 1 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 32 ASN :FLIP amide:sc= -0.515 F(o=-2.9!,f=-0.52) USER MOD Single : 1 33 ASN : amide:sc= -0.093 X(o=-0.093,f=-0.073) USER MOD Single : 1 40 SER OG : rot 180:sc= 0 USER MOD Single : 1 50 LYS NZ :NH3+ -148:sc= 0.215 (180deg=-0.833) USER MOD Single : 1 53 GLN : amide:sc= -12.1! C(o=-12!,f=-18!) USER MOD Single : 1 58 THR OG1 : rot -39:sc= 0 USER MOD Single : 2 1 GLU N :NH3+ 147:sc= 0.78 (180deg=-0.806) USER MOD Single : 2 3 TYR OH : rot 180:sc= 0 USER MOD Single : 2 7 SER OG : rot 180:sc= -0.115 USER MOD Single : 2 9 ASN :FLIP amide:sc=-0.00916 F(o=-0.9,f=-0.0092) USER MOD Single : 2 10 GLN : amide:sc= -14.4! C(o=-14!,f=-14!) USER MOD Single : 2 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 2 23 TYR OH : rot 30:sc= -1.36! USER MOD Single : 2 25 HIS : no HD1:sc= 0 X(o=0,f=-0.064) USER MOD Single : 2 27 THR OG1 : rot 60:sc= 0.163 USER MOD Single : 2 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 2 32 ASN :FLIP amide:sc= -0.791 F(o=-1.9!,f=-0.79) USER MOD Single : 2 33 ASN : amide:sc= -0.0737 X(o=-0.074,f=-0.056) USER MOD Single : 2 40 SER OG : rot 180:sc= -0.117 USER MOD Single : 2 50 LYS NZ :NH3+ 140:sc= 0.128 (180deg=-2.39!) USER MOD Single : 2 53 GLN : amide:sc= -13! C(o=-13!,f=-20!) USER MOD Single : 2 58 THR OG1 : rot 180:sc= -1.4 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU 1 1 -11.885 -15.487 -0.806 1.00 0.00 N ATOM 2 CA GLU 1 1 -11.942 -14.884 -2.126 1.00 0.00 C ATOM 3 C GLU 1 1 -12.317 -13.404 -2.019 1.00 0.00 C ATOM 4 O GLU 1 1 -11.604 -12.541 -2.529 1.00 0.00 O ATOM 5 CB GLU 1 1 -12.922 -15.634 -3.030 1.00 0.00 C ATOM 6 CG GLU 1 1 -12.369 -15.764 -4.451 1.00 0.00 C ATOM 7 CD GLU 1 1 -11.055 -16.546 -4.458 1.00 0.00 C ATOM 8 OE1 GLU 1 1 -11.135 -17.790 -4.368 1.00 0.00 O ATOM 9 OE2 GLU 1 1 -10.000 -15.883 -4.554 1.00 0.00 O ATOM 0 H1 GLU 1 1 -11.118 -16.188 -0.778 1.00 0.00 H new ATOM 0 H2 GLU 1 1 -11.706 -14.749 -0.095 1.00 0.00 H new ATOM 0 H3 GLU 1 1 -12.790 -15.956 -0.599 1.00 0.00 H new ATOM 0 HA GLU 1 1 -10.953 -14.956 -2.579 1.00 0.00 H new ATOM 0 HB2 GLU 1 1 -13.115 -16.625 -2.619 1.00 0.00 H new ATOM 0 HB3 GLU 1 1 -13.876 -15.107 -3.054 1.00 0.00 H new ATOM 0 HG2 GLU 1 1 -13.099 -16.267 -5.085 1.00 0.00 H new ATOM 0 HG3 GLU 1 1 -12.209 -14.773 -4.875 1.00 0.00 H new ATOM 16 N GLU 1 2 -13.435 -13.158 -1.351 1.00 0.00 N ATOM 17 CA GLU 1 2 -13.914 -11.797 -1.170 1.00 0.00 C ATOM 18 C GLU 1 2 -12.979 -11.026 -0.236 1.00 0.00 C ATOM 19 O GLU 1 2 -11.923 -10.557 -0.658 1.00 0.00 O ATOM 20 CB GLU 1 2 -15.349 -11.787 -0.641 1.00 0.00 C ATOM 21 CG GLU 1 2 -16.340 -12.189 -1.735 1.00 0.00 C ATOM 22 CD GLU 1 2 -17.007 -10.957 -2.349 1.00 0.00 C ATOM 23 OE1 GLU 1 2 -16.325 -10.283 -3.151 1.00 0.00 O ATOM 24 OE2 GLU 1 2 -18.185 -10.719 -2.004 1.00 0.00 O ATOM 0 H GLU 1 2 -14.023 -13.877 -0.929 1.00 0.00 H new ATOM 0 HA GLU 1 2 -13.917 -11.301 -2.140 1.00 0.00 H new ATOM 0 HB2 GLU 1 2 -15.434 -12.473 0.202 1.00 0.00 H new ATOM 0 HB3 GLU 1 2 -15.596 -10.793 -0.269 1.00 0.00 H new ATOM 0 HG2 GLU 1 2 -15.822 -12.751 -2.512 1.00 0.00 H new ATOM 0 HG3 GLU 1 2 -17.101 -12.849 -1.317 1.00 0.00 H new ATOM 31 N TYR 1 3 -13.400 -10.920 1.015 1.00 0.00 N ATOM 32 CA TYR 1 3 -12.615 -10.213 2.012 1.00 0.00 C ATOM 33 C TYR 1 3 -11.398 -11.038 2.437 1.00 0.00 C ATOM 34 O TYR 1 3 -11.279 -11.425 3.598 1.00 0.00 O ATOM 35 CB TYR 1 3 -13.535 -10.027 3.221 1.00 0.00 C ATOM 36 CG TYR 1 3 -14.247 -11.307 3.664 1.00 0.00 C ATOM 37 CD1 TYR 1 3 -15.461 -11.651 3.104 1.00 0.00 C ATOM 38 CD2 TYR 1 3 -13.675 -12.117 4.624 1.00 0.00 C ATOM 39 CE1 TYR 1 3 -16.130 -12.856 3.521 1.00 0.00 C ATOM 40 CE2 TYR 1 3 -14.345 -13.322 5.041 1.00 0.00 C ATOM 41 CZ TYR 1 3 -15.539 -13.632 4.469 1.00 0.00 C ATOM 42 OH TYR 1 3 -16.172 -14.770 4.864 1.00 0.00 O ATOM 0 H TYR 1 3 -14.275 -11.312 1.361 1.00 0.00 H new ATOM 0 HA TYR 1 3 -12.252 -9.266 1.613 1.00 0.00 H new ATOM 0 HB2 TYR 1 3 -12.948 -9.642 4.055 1.00 0.00 H new ATOM 0 HB3 TYR 1 3 -14.283 -9.271 2.982 1.00 0.00 H new ATOM 0 HD1 TYR 1 3 -15.909 -11.017 2.353 1.00 0.00 H new ATOM 0 HD2 TYR 1 3 -12.725 -11.847 5.062 1.00 0.00 H new ATOM 0 HE1 TYR 1 3 -17.080 -13.137 3.091 1.00 0.00 H new ATOM 0 HE2 TYR 1 3 -13.909 -13.965 5.791 1.00 0.00 H new ATOM 0 HH TYR 1 3 -15.633 -15.224 5.545 1.00 0.00 H new ATOM 52 N VAL 1 4 -10.524 -11.283 1.471 1.00 0.00 N ATOM 53 CA VAL 1 4 -9.320 -12.055 1.730 1.00 0.00 C ATOM 54 C VAL 1 4 -8.095 -11.229 1.332 1.00 0.00 C ATOM 55 O VAL 1 4 -7.173 -11.059 2.128 1.00 0.00 O ATOM 56 CB VAL 1 4 -9.395 -13.400 1.004 1.00 0.00 C ATOM 57 CG1 VAL 1 4 -9.450 -13.203 -0.512 1.00 0.00 C ATOM 58 CG2 VAL 1 4 -8.224 -14.302 1.398 1.00 0.00 C ATOM 0 H VAL 1 4 -10.626 -10.961 0.509 1.00 0.00 H new ATOM 0 HA VAL 1 4 -9.231 -12.279 2.793 1.00 0.00 H new ATOM 0 HB VAL 1 4 -10.317 -13.895 1.311 1.00 0.00 H new ATOM 0 HG11 VAL 1 4 -9.503 -14.174 -1.003 1.00 0.00 H new ATOM 0 HG12 VAL 1 4 -10.332 -12.617 -0.771 1.00 0.00 H new ATOM 0 HG13 VAL 1 4 -8.555 -12.677 -0.843 1.00 0.00 H new ATOM 0 HG21 VAL 1 4 -8.302 -15.251 0.868 1.00 0.00 H new ATOM 0 HG22 VAL 1 4 -7.285 -13.815 1.135 1.00 0.00 H new ATOM 0 HG23 VAL 1 4 -8.250 -14.483 2.472 1.00 0.00 H new ATOM 68 N GLY 1 5 -8.125 -10.738 0.102 1.00 0.00 N ATOM 69 CA GLY 1 5 -7.029 -9.935 -0.410 1.00 0.00 C ATOM 70 C GLY 1 5 -6.974 -8.573 0.287 1.00 0.00 C ATOM 71 O GLY 1 5 -6.128 -7.740 -0.036 1.00 0.00 O ATOM 0 H GLY 1 5 -8.892 -10.881 -0.555 1.00 0.00 H new ATOM 0 HA2 GLY 1 5 -6.087 -10.462 -0.261 1.00 0.00 H new ATOM 0 HA3 GLY 1 5 -7.148 -9.793 -1.484 1.00 0.00 H new ATOM 75 N LEU 1 6 -7.886 -8.391 1.230 1.00 0.00 N ATOM 76 CA LEU 1 6 -7.952 -7.145 1.976 1.00 0.00 C ATOM 77 C LEU 1 6 -8.231 -7.452 3.449 1.00 0.00 C ATOM 78 O LEU 1 6 -8.648 -6.574 4.201 1.00 0.00 O ATOM 79 CB LEU 1 6 -8.970 -6.195 1.342 1.00 0.00 C ATOM 80 CG LEU 1 6 -10.353 -6.787 1.057 1.00 0.00 C ATOM 81 CD1 LEU 1 6 -10.302 -7.751 -0.128 1.00 0.00 C ATOM 82 CD2 LEU 1 6 -10.936 -7.445 2.310 1.00 0.00 C ATOM 0 H LEU 1 6 -8.585 -9.085 1.495 1.00 0.00 H new ATOM 0 HA LEU 1 6 -6.995 -6.624 1.934 1.00 0.00 H new ATOM 0 HB2 LEU 1 6 -9.093 -5.335 2.000 1.00 0.00 H new ATOM 0 HB3 LEU 1 6 -8.556 -5.823 0.405 1.00 0.00 H new ATOM 0 HG LEU 1 6 -11.024 -5.974 0.780 1.00 0.00 H new ATOM 0 HD11 LEU 1 6 -11.297 -8.157 -0.309 1.00 0.00 H new ATOM 0 HD12 LEU 1 6 -9.960 -7.219 -1.016 1.00 0.00 H new ATOM 0 HD13 LEU 1 6 -9.613 -8.565 0.095 1.00 0.00 H new ATOM 0 HD21 LEU 1 6 -11.919 -7.858 2.081 1.00 0.00 H new ATOM 0 HD22 LEU 1 6 -10.275 -8.245 2.642 1.00 0.00 H new ATOM 0 HD23 LEU 1 6 -11.031 -6.701 3.101 1.00 0.00 H new ATOM 94 N SER 1 7 -7.988 -8.702 3.816 1.00 0.00 N ATOM 95 CA SER 1 7 -8.208 -9.135 5.185 1.00 0.00 C ATOM 96 C SER 1 7 -6.868 -9.279 5.910 1.00 0.00 C ATOM 97 O SER 1 7 -5.830 -9.453 5.275 1.00 0.00 O ATOM 98 CB SER 1 7 -8.978 -10.457 5.228 1.00 0.00 C ATOM 99 OG SER 1 7 -10.116 -10.384 6.084 1.00 0.00 O ATOM 0 H SER 1 7 -7.641 -9.428 3.189 1.00 0.00 H new ATOM 0 HA SER 1 7 -8.809 -8.379 5.690 1.00 0.00 H new ATOM 0 HB2 SER 1 7 -9.298 -10.723 4.221 1.00 0.00 H new ATOM 0 HB3 SER 1 7 -8.316 -11.251 5.572 1.00 0.00 H new ATOM 0 HG SER 1 7 -10.908 -10.706 5.604 1.00 0.00 H new ATOM 105 N ALA 1 8 -6.935 -9.201 7.231 1.00 0.00 N ATOM 106 CA ALA 1 8 -5.740 -9.319 8.049 1.00 0.00 C ATOM 107 C ALA 1 8 -5.250 -10.768 8.021 1.00 0.00 C ATOM 108 O ALA 1 8 -4.215 -11.089 8.604 1.00 0.00 O ATOM 109 CB ALA 1 8 -6.042 -8.833 9.469 1.00 0.00 C ATOM 0 H ALA 1 8 -7.798 -9.058 7.755 1.00 0.00 H new ATOM 0 HA ALA 1 8 -4.941 -8.692 7.653 1.00 0.00 H new ATOM 0 HB1 ALA 1 8 -5.145 -8.922 10.082 1.00 0.00 H new ATOM 0 HB2 ALA 1 8 -6.358 -7.790 9.437 1.00 0.00 H new ATOM 0 HB3 ALA 1 8 -6.838 -9.440 9.900 1.00 0.00 H new ATOM 115 N ASN 1 9 -6.017 -11.605 7.338 1.00 0.00 N ATOM 116 CA ASN 1 9 -5.673 -13.013 7.226 1.00 0.00 C ATOM 117 C ASN 1 9 -4.770 -13.218 6.009 1.00 0.00 C ATOM 118 O ASN 1 9 -4.111 -14.250 5.887 1.00 0.00 O ATOM 119 CB ASN 1 9 -6.925 -13.871 7.037 1.00 0.00 C ATOM 120 CG ASN 1 9 -6.952 -15.031 8.036 1.00 0.00 C ATOM 121 OD1 ASN 1 9 -7.681 -15.023 9.014 1.00 0.00 O ATOM 122 ND2 ASN 1 9 -6.119 -16.022 7.736 1.00 0.00 N ATOM 0 H ASN 1 9 -6.875 -11.336 6.857 1.00 0.00 H new ATOM 0 HA ASN 1 9 -5.167 -13.311 8.144 1.00 0.00 H new ATOM 0 HB2 ASN 1 9 -7.815 -13.255 7.166 1.00 0.00 H new ATOM 0 HB3 ASN 1 9 -6.952 -14.262 6.020 1.00 0.00 H new ATOM 0 HD21 ASN 1 9 -6.062 -16.841 8.341 1.00 0.00 H new ATOM 0 HD22 ASN 1 9 -5.537 -15.963 6.901 1.00 0.00 H new ATOM 129 N GLN 1 10 -4.768 -12.220 5.138 1.00 0.00 N ATOM 130 CA GLN 1 10 -3.956 -12.277 3.935 1.00 0.00 C ATOM 131 C GLN 1 10 -2.470 -12.245 4.295 1.00 0.00 C ATOM 132 O GLN 1 10 -1.659 -12.921 3.664 1.00 0.00 O ATOM 133 CB GLN 1 10 -4.314 -11.139 2.977 1.00 0.00 C ATOM 134 CG GLN 1 10 -4.306 -11.621 1.525 1.00 0.00 C ATOM 135 CD GLN 1 10 -3.338 -10.792 0.677 1.00 0.00 C ATOM 136 OE1 GLN 1 10 -3.386 -9.486 0.923 1.00 0.00 O flip ATOM 137 NE2 GLN 1 10 -2.597 -11.305 -0.145 1.00 0.00 N flip ATOM 0 H GLN 1 10 -5.317 -11.366 5.242 1.00 0.00 H new ATOM 0 HA GLN 1 10 -4.165 -13.217 3.424 1.00 0.00 H new ATOM 0 HB2 GLN 1 10 -5.299 -10.744 3.227 1.00 0.00 H new ATOM 0 HB3 GLN 1 10 -3.603 -10.321 3.096 1.00 0.00 H new ATOM 0 HG2 GLN 1 10 -4.019 -12.672 1.489 1.00 0.00 H new ATOM 0 HG3 GLN 1 10 -5.311 -11.551 1.109 1.00 0.00 H new ATOM 0 HE21 GLN 1 10 -2.611 -12.315 -0.284 1.00 0.00 H new ATOM 0 HE22 GLN 1 10 -1.963 -10.724 -0.693 1.00 0.00 H new ATOM 146 N CYS 1 11 -2.156 -11.451 5.308 1.00 0.00 N ATOM 147 CA CYS 1 11 -0.781 -11.321 5.759 1.00 0.00 C ATOM 148 C CYS 1 11 -0.381 -12.622 6.458 1.00 0.00 C ATOM 149 O CYS 1 11 0.759 -12.769 6.897 1.00 0.00 O ATOM 150 CB CYS 1 11 -0.598 -10.105 6.669 1.00 0.00 C ATOM 151 SG CYS 1 11 1.074 -9.936 7.395 1.00 0.00 S ATOM 0 H CYS 1 11 -2.831 -10.891 5.829 1.00 0.00 H new ATOM 0 HA CYS 1 11 -0.128 -11.154 4.903 1.00 0.00 H new ATOM 0 HB2 CYS 1 11 -0.824 -9.204 6.098 1.00 0.00 H new ATOM 0 HB3 CYS 1 11 -1.326 -10.161 7.478 1.00 0.00 H new ATOM 156 N ALA 1 12 -1.339 -13.533 6.539 1.00 0.00 N ATOM 157 CA ALA 1 12 -1.100 -14.817 7.176 1.00 0.00 C ATOM 158 C ALA 1 12 -1.075 -15.913 6.110 1.00 0.00 C ATOM 159 O ALA 1 12 -1.078 -17.100 6.434 1.00 0.00 O ATOM 160 CB ALA 1 12 -2.170 -15.064 8.242 1.00 0.00 C ATOM 0 H ALA 1 12 -2.283 -13.408 6.174 1.00 0.00 H new ATOM 0 HA ALA 1 12 -0.132 -14.823 7.677 1.00 0.00 H new ATOM 0 HB1 ALA 1 12 -1.992 -16.027 8.720 1.00 0.00 H new ATOM 0 HB2 ALA 1 12 -2.127 -14.273 8.991 1.00 0.00 H new ATOM 0 HB3 ALA 1 12 -3.155 -15.068 7.775 1.00 0.00 H new ATOM 166 N VAL 1 13 -1.051 -15.478 4.859 1.00 0.00 N ATOM 167 CA VAL 1 13 -1.026 -16.408 3.743 1.00 0.00 C ATOM 168 C VAL 1 13 -0.055 -17.549 4.058 1.00 0.00 C ATOM 169 O VAL 1 13 0.750 -17.446 4.982 1.00 0.00 O ATOM 170 CB VAL 1 13 -0.677 -15.666 2.451 1.00 0.00 C ATOM 171 CG1 VAL 1 13 0.743 -16.004 1.990 1.00 0.00 C ATOM 172 CG2 VAL 1 13 -1.697 -15.971 1.351 1.00 0.00 C ATOM 0 H VAL 1 13 -1.048 -14.493 4.593 1.00 0.00 H new ATOM 0 HA VAL 1 13 -2.011 -16.850 3.592 1.00 0.00 H new ATOM 0 HB VAL 1 13 -0.716 -14.597 2.658 1.00 0.00 H new ATOM 0 HG11 VAL 1 13 0.965 -15.463 1.070 1.00 0.00 H new ATOM 0 HG12 VAL 1 13 1.455 -15.714 2.762 1.00 0.00 H new ATOM 0 HG13 VAL 1 13 0.821 -17.076 1.809 1.00 0.00 H new ATOM 0 HG21 VAL 1 13 -1.426 -15.431 0.444 1.00 0.00 H new ATOM 0 HG22 VAL 1 13 -1.704 -17.042 1.148 1.00 0.00 H new ATOM 0 HG23 VAL 1 13 -2.689 -15.657 1.677 1.00 0.00 H new ATOM 182 N PRO 1 14 -0.168 -18.638 3.250 1.00 0.00 N ATOM 183 CA PRO 1 14 0.690 -19.797 3.434 1.00 0.00 C ATOM 184 C PRO 1 14 2.104 -19.518 2.920 1.00 0.00 C ATOM 185 O PRO 1 14 2.804 -20.434 2.491 1.00 0.00 O ATOM 186 CB PRO 1 14 -0.004 -20.921 2.684 1.00 0.00 C ATOM 187 CG PRO 1 14 -0.973 -20.249 1.726 1.00 0.00 C ATOM 188 CD PRO 1 14 -1.110 -18.795 2.146 1.00 0.00 C ATOM 0 HA PRO 1 14 0.825 -20.060 4.483 1.00 0.00 H new ATOM 0 HB2 PRO 1 14 0.718 -21.533 2.143 1.00 0.00 H new ATOM 0 HB3 PRO 1 14 -0.531 -21.582 3.372 1.00 0.00 H new ATOM 0 HG2 PRO 1 14 -0.607 -20.318 0.702 1.00 0.00 H new ATOM 0 HG3 PRO 1 14 -1.942 -20.747 1.752 1.00 0.00 H new ATOM 0 HD2 PRO 1 14 -0.872 -18.121 1.323 1.00 0.00 H new ATOM 0 HD3 PRO 1 14 -2.129 -18.568 2.459 1.00 0.00 H new ATOM 196 N ALA 1 15 2.483 -18.250 2.981 1.00 0.00 N ATOM 197 CA ALA 1 15 3.801 -17.839 2.527 1.00 0.00 C ATOM 198 C ALA 1 15 4.094 -18.488 1.173 1.00 0.00 C ATOM 199 O ALA 1 15 5.027 -19.281 1.049 1.00 0.00 O ATOM 200 CB ALA 1 15 4.842 -18.205 3.587 1.00 0.00 C ATOM 0 H ALA 1 15 1.900 -17.493 3.338 1.00 0.00 H new ATOM 0 HA ALA 1 15 3.841 -16.758 2.390 1.00 0.00 H new ATOM 0 HB1 ALA 1 15 5.831 -17.897 3.247 1.00 0.00 H new ATOM 0 HB2 ALA 1 15 4.604 -17.696 4.521 1.00 0.00 H new ATOM 0 HB3 ALA 1 15 4.833 -19.283 3.749 1.00 0.00 H new ATOM 206 N LYS 1 16 3.281 -18.128 0.191 1.00 0.00 N ATOM 207 CA LYS 1 16 3.442 -18.665 -1.148 1.00 0.00 C ATOM 208 C LYS 1 16 2.333 -18.117 -2.049 1.00 0.00 C ATOM 209 O LYS 1 16 1.742 -18.859 -2.832 1.00 0.00 O ATOM 210 CB LYS 1 16 3.503 -20.194 -1.110 1.00 0.00 C ATOM 211 CG LYS 1 16 2.344 -20.769 -0.292 1.00 0.00 C ATOM 212 CD LYS 1 16 1.415 -21.607 -1.173 1.00 0.00 C ATOM 213 CE LYS 1 16 1.480 -23.086 -0.787 1.00 0.00 C ATOM 214 NZ LYS 1 16 0.189 -23.753 -1.071 1.00 0.00 N ATOM 0 H LYS 1 16 2.508 -17.470 0.297 1.00 0.00 H new ATOM 0 HA LYS 1 16 4.391 -18.342 -1.576 1.00 0.00 H new ATOM 0 HB2 LYS 1 16 3.467 -20.588 -2.126 1.00 0.00 H new ATOM 0 HB3 LYS 1 16 4.451 -20.513 -0.678 1.00 0.00 H new ATOM 0 HG2 LYS 1 16 2.736 -21.384 0.518 1.00 0.00 H new ATOM 0 HG3 LYS 1 16 1.781 -19.957 0.168 1.00 0.00 H new ATOM 0 HD2 LYS 1 16 0.391 -21.246 -1.074 1.00 0.00 H new ATOM 0 HD3 LYS 1 16 1.695 -21.488 -2.220 1.00 0.00 H new ATOM 0 HE2 LYS 1 16 2.280 -23.578 -1.341 1.00 0.00 H new ATOM 0 HE3 LYS 1 16 1.720 -23.181 0.272 1.00 0.00 H new ATOM 0 HZ1 LYS 1 16 0.250 -24.756 -0.803 1.00 0.00 H new ATOM 0 HZ2 LYS 1 16 -0.567 -23.294 -0.523 1.00 0.00 H new ATOM 0 HZ3 LYS 1 16 -0.025 -23.678 -2.086 1.00 0.00 H new ATOM 228 N ASP 1 17 2.085 -16.824 -1.908 1.00 0.00 N ATOM 229 CA ASP 1 17 1.058 -16.168 -2.699 1.00 0.00 C ATOM 230 C ASP 1 17 1.298 -14.657 -2.686 1.00 0.00 C ATOM 231 O ASP 1 17 0.816 -13.940 -3.563 1.00 0.00 O ATOM 232 CB ASP 1 17 -0.334 -16.431 -2.123 1.00 0.00 C ATOM 233 CG ASP 1 17 -1.494 -16.162 -3.083 1.00 0.00 C ATOM 234 OD1 ASP 1 17 -1.590 -16.910 -4.080 1.00 0.00 O ATOM 235 OD2 ASP 1 17 -2.258 -15.215 -2.799 1.00 0.00 O ATOM 0 H ASP 1 17 2.578 -16.212 -1.257 1.00 0.00 H new ATOM 0 HA ASP 1 17 1.109 -16.565 -3.713 1.00 0.00 H new ATOM 0 HB2 ASP 1 17 -0.385 -17.470 -1.798 1.00 0.00 H new ATOM 0 HB3 ASP 1 17 -0.466 -15.812 -1.236 1.00 0.00 H new ATOM 240 N ARG 1 18 2.041 -14.216 -1.682 1.00 0.00 N ATOM 241 CA ARG 1 18 2.350 -12.803 -1.543 1.00 0.00 C ATOM 242 C ARG 1 18 2.860 -12.238 -2.871 1.00 0.00 C ATOM 243 O ARG 1 18 2.949 -12.960 -3.863 1.00 0.00 O ATOM 244 CB ARG 1 18 3.407 -12.575 -0.461 1.00 0.00 C ATOM 245 CG ARG 1 18 2.981 -13.208 0.865 1.00 0.00 C ATOM 246 CD ARG 1 18 4.141 -13.972 1.506 1.00 0.00 C ATOM 247 NE ARG 1 18 3.781 -14.375 2.884 1.00 0.00 N ATOM 248 CZ ARG 1 18 4.675 -14.663 3.840 1.00 0.00 C ATOM 249 NH1 ARG 1 18 5.986 -14.595 3.573 1.00 0.00 N ATOM 250 NH2 ARG 1 18 4.258 -15.020 5.062 1.00 0.00 N ATOM 0 H ARG 1 18 2.438 -14.813 -0.956 1.00 0.00 H new ATOM 0 HA ARG 1 18 1.433 -12.290 -1.254 1.00 0.00 H new ATOM 0 HB2 ARG 1 18 4.358 -13.000 -0.782 1.00 0.00 H new ATOM 0 HB3 ARG 1 18 3.566 -11.506 -0.323 1.00 0.00 H new ATOM 0 HG2 ARG 1 18 2.631 -12.432 1.546 1.00 0.00 H new ATOM 0 HG3 ARG 1 18 2.144 -13.885 0.696 1.00 0.00 H new ATOM 0 HD2 ARG 1 18 4.380 -14.854 0.911 1.00 0.00 H new ATOM 0 HD3 ARG 1 18 5.034 -13.347 1.522 1.00 0.00 H new ATOM 0 HE ARG 1 18 2.791 -14.437 3.121 1.00 0.00 H new ATOM 0 HH11 ARG 1 18 6.304 -14.324 2.642 1.00 0.00 H new ATOM 0 HH12 ARG 1 18 6.667 -14.814 4.300 1.00 0.00 H new ATOM 0 HH21 ARG 1 18 3.260 -15.073 5.265 1.00 0.00 H new ATOM 0 HH22 ARG 1 18 4.939 -15.239 5.789 1.00 0.00 H new ATOM 264 N VAL 1 19 3.180 -10.953 -2.846 1.00 0.00 N ATOM 265 CA VAL 1 19 3.677 -10.282 -4.035 1.00 0.00 C ATOM 266 C VAL 1 19 5.137 -9.882 -3.817 1.00 0.00 C ATOM 267 O VAL 1 19 5.657 -9.010 -4.512 1.00 0.00 O ATOM 268 CB VAL 1 19 2.776 -9.095 -4.382 1.00 0.00 C ATOM 269 CG1 VAL 1 19 3.235 -8.420 -5.677 1.00 0.00 C ATOM 270 CG2 VAL 1 19 1.312 -9.527 -4.477 1.00 0.00 C ATOM 0 H VAL 1 19 3.105 -10.358 -2.021 1.00 0.00 H new ATOM 0 HA VAL 1 19 3.649 -10.954 -4.893 1.00 0.00 H new ATOM 0 HB VAL 1 19 2.857 -8.365 -3.576 1.00 0.00 H new ATOM 0 HG11 VAL 1 19 2.578 -7.579 -5.902 1.00 0.00 H new ATOM 0 HG12 VAL 1 19 4.257 -8.060 -5.557 1.00 0.00 H new ATOM 0 HG13 VAL 1 19 3.197 -9.139 -6.495 1.00 0.00 H new ATOM 0 HG21 VAL 1 19 0.693 -8.664 -4.725 1.00 0.00 H new ATOM 0 HG22 VAL 1 19 1.206 -10.285 -5.253 1.00 0.00 H new ATOM 0 HG23 VAL 1 19 0.992 -9.940 -3.521 1.00 0.00 H new ATOM 280 N ASP 1 20 5.758 -10.537 -2.846 1.00 0.00 N ATOM 281 CA ASP 1 20 7.149 -10.259 -2.527 1.00 0.00 C ATOM 282 C ASP 1 20 7.436 -8.776 -2.765 1.00 0.00 C ATOM 283 O ASP 1 20 7.812 -8.382 -3.867 1.00 0.00 O ATOM 284 CB ASP 1 20 8.090 -11.072 -3.417 1.00 0.00 C ATOM 285 CG ASP 1 20 9.442 -10.413 -3.699 1.00 0.00 C ATOM 286 OD1 ASP 1 20 10.275 -10.403 -2.767 1.00 0.00 O ATOM 287 OD2 ASP 1 20 9.613 -9.934 -4.842 1.00 0.00 O ATOM 0 H ASP 1 20 5.324 -11.259 -2.270 1.00 0.00 H new ATOM 0 HA ASP 1 20 7.316 -10.528 -1.484 1.00 0.00 H new ATOM 0 HB2 ASP 1 20 8.265 -12.040 -2.947 1.00 0.00 H new ATOM 0 HB3 ASP 1 20 7.591 -11.265 -4.367 1.00 0.00 H new ATOM 292 N CYS 1 21 7.248 -7.992 -1.712 1.00 0.00 N ATOM 293 CA CYS 1 21 7.482 -6.561 -1.792 1.00 0.00 C ATOM 294 C CYS 1 21 8.888 -6.335 -2.351 1.00 0.00 C ATOM 295 O CYS 1 21 9.128 -5.361 -3.062 1.00 0.00 O ATOM 296 CB CYS 1 21 7.290 -5.879 -0.436 1.00 0.00 C ATOM 297 SG CYS 1 21 6.351 -4.309 -0.492 1.00 0.00 S ATOM 0 H CYS 1 21 6.936 -8.322 -0.799 1.00 0.00 H new ATOM 0 HA CYS 1 21 6.749 -6.107 -2.459 1.00 0.00 H new ATOM 0 HB2 CYS 1 21 6.776 -6.570 0.233 1.00 0.00 H new ATOM 0 HB3 CYS 1 21 8.270 -5.684 -0.001 1.00 0.00 H new ATOM 302 N GLY 1 22 9.780 -7.252 -2.009 1.00 0.00 N ATOM 303 CA GLY 1 22 11.157 -7.164 -2.467 1.00 0.00 C ATOM 304 C GLY 1 22 11.790 -5.835 -2.053 1.00 0.00 C ATOM 305 O GLY 1 22 12.280 -5.087 -2.899 1.00 0.00 O ATOM 0 H GLY 1 22 9.577 -8.060 -1.420 1.00 0.00 H new ATOM 0 HA2 GLY 1 22 11.735 -7.990 -2.053 1.00 0.00 H new ATOM 0 HA3 GLY 1 22 11.190 -7.264 -3.552 1.00 0.00 H new ATOM 309 N TYR 1 23 11.757 -5.578 -0.755 1.00 0.00 N ATOM 310 CA TYR 1 23 12.321 -4.352 -0.219 1.00 0.00 C ATOM 311 C TYR 1 23 13.790 -4.544 0.164 1.00 0.00 C ATOM 312 O TYR 1 23 14.167 -5.592 0.686 1.00 0.00 O ATOM 313 CB TYR 1 23 11.516 -4.033 1.042 1.00 0.00 C ATOM 314 CG TYR 1 23 11.138 -2.556 1.183 1.00 0.00 C ATOM 315 CD1 TYR 1 23 10.767 -1.830 0.070 1.00 0.00 C ATOM 316 CD2 TYR 1 23 11.169 -1.952 2.424 1.00 0.00 C ATOM 317 CE1 TYR 1 23 10.412 -0.441 0.203 1.00 0.00 C ATOM 318 CE2 TYR 1 23 10.814 -0.563 2.557 1.00 0.00 C ATOM 319 CZ TYR 1 23 10.452 0.124 1.439 1.00 0.00 C ATOM 320 OH TYR 1 23 10.117 1.436 1.564 1.00 0.00 O ATOM 0 H TYR 1 23 11.348 -6.199 -0.057 1.00 0.00 H new ATOM 0 HA TYR 1 23 12.273 -3.553 -0.959 1.00 0.00 H new ATOM 0 HB2 TYR 1 23 10.605 -4.632 1.040 1.00 0.00 H new ATOM 0 HB3 TYR 1 23 12.094 -4.334 1.916 1.00 0.00 H new ATOM 0 HD1 TYR 1 23 10.743 -2.303 -0.900 1.00 0.00 H new ATOM 0 HD2 TYR 1 23 11.459 -2.521 3.295 1.00 0.00 H new ATOM 0 HE1 TYR 1 23 10.120 0.139 -0.660 1.00 0.00 H new ATOM 0 HE2 TYR 1 23 10.834 -0.077 3.521 1.00 0.00 H new ATOM 0 HH TYR 1 23 9.362 1.639 0.973 1.00 0.00 H new ATOM 330 N PRO 1 24 14.601 -3.490 -0.121 1.00 0.00 N ATOM 331 CA PRO 1 24 16.020 -3.532 0.188 1.00 0.00 C ATOM 332 C PRO 1 24 16.261 -3.359 1.689 1.00 0.00 C ATOM 333 O PRO 1 24 17.390 -3.487 2.159 1.00 0.00 O ATOM 334 CB PRO 1 24 16.637 -2.421 -0.645 1.00 0.00 C ATOM 335 CG PRO 1 24 15.489 -1.501 -1.030 1.00 0.00 C ATOM 336 CD PRO 1 24 14.188 -2.233 -0.739 1.00 0.00 C ATOM 0 HA PRO 1 24 16.475 -4.493 -0.054 1.00 0.00 H new ATOM 0 HB2 PRO 1 24 17.395 -1.882 -0.077 1.00 0.00 H new ATOM 0 HB3 PRO 1 24 17.128 -2.824 -1.531 1.00 0.00 H new ATOM 0 HG2 PRO 1 24 15.539 -0.571 -0.464 1.00 0.00 H new ATOM 0 HG3 PRO 1 24 15.550 -1.235 -2.085 1.00 0.00 H new ATOM 0 HD2 PRO 1 24 13.549 -1.655 -0.072 1.00 0.00 H new ATOM 0 HD3 PRO 1 24 13.619 -2.409 -1.652 1.00 0.00 H new ATOM 344 N HIS 1 25 15.180 -3.069 2.399 1.00 0.00 N ATOM 345 CA HIS 1 25 15.260 -2.877 3.837 1.00 0.00 C ATOM 346 C HIS 1 25 14.144 -3.667 4.523 1.00 0.00 C ATOM 347 O HIS 1 25 13.448 -3.140 5.390 1.00 0.00 O ATOM 348 CB HIS 1 25 15.235 -1.387 4.188 1.00 0.00 C ATOM 349 CG HIS 1 25 16.488 -0.642 3.795 1.00 0.00 C ATOM 350 ND1 HIS 1 25 17.684 -0.775 4.477 1.00 0.00 N ATOM 351 CD2 HIS 1 25 16.718 0.243 2.783 1.00 0.00 C ATOM 352 CE1 HIS 1 25 18.586 0.001 3.894 1.00 0.00 C ATOM 353 NE2 HIS 1 25 17.985 0.631 2.845 1.00 0.00 N ATOM 0 H HIS 1 25 14.245 -2.962 2.005 1.00 0.00 H new ATOM 0 HA HIS 1 25 16.210 -3.262 4.207 1.00 0.00 H new ATOM 0 HB2 HIS 1 25 14.380 -0.923 3.697 1.00 0.00 H new ATOM 0 HB3 HIS 1 25 15.083 -1.280 5.262 1.00 0.00 H new ATOM 0 HD2 HIS 1 25 15.992 0.572 2.055 1.00 0.00 H new ATOM 0 HE1 HIS 1 25 19.616 0.114 4.197 1.00 0.00 H new ATOM 0 HE2 HIS 1 25 18.435 1.292 2.212 1.00 0.00 H new ATOM 362 N VAL 1 26 14.008 -4.918 4.110 1.00 0.00 N ATOM 363 CA VAL 1 26 12.988 -5.785 4.674 1.00 0.00 C ATOM 364 C VAL 1 26 13.282 -6.013 6.158 1.00 0.00 C ATOM 365 O VAL 1 26 14.354 -6.496 6.515 1.00 0.00 O ATOM 366 CB VAL 1 26 12.908 -7.087 3.874 1.00 0.00 C ATOM 367 CG1 VAL 1 26 14.305 -7.595 3.512 1.00 0.00 C ATOM 368 CG2 VAL 1 26 12.118 -8.152 4.637 1.00 0.00 C ATOM 0 H VAL 1 26 14.587 -5.352 3.391 1.00 0.00 H new ATOM 0 HA VAL 1 26 12.007 -5.315 4.605 1.00 0.00 H new ATOM 0 HB VAL 1 26 12.377 -6.877 2.946 1.00 0.00 H new ATOM 0 HG11 VAL 1 26 14.219 -8.521 2.944 1.00 0.00 H new ATOM 0 HG12 VAL 1 26 14.820 -6.846 2.910 1.00 0.00 H new ATOM 0 HG13 VAL 1 26 14.873 -7.780 4.424 1.00 0.00 H new ATOM 0 HG21 VAL 1 26 12.076 -9.067 4.046 1.00 0.00 H new ATOM 0 HG22 VAL 1 26 12.608 -8.357 5.589 1.00 0.00 H new ATOM 0 HG23 VAL 1 26 11.106 -7.792 4.820 1.00 0.00 H new ATOM 378 N THR 1 27 12.310 -5.654 6.983 1.00 0.00 N ATOM 379 CA THR 1 27 12.450 -5.813 8.420 1.00 0.00 C ATOM 380 C THR 1 27 11.102 -5.610 9.114 1.00 0.00 C ATOM 381 O THR 1 27 10.232 -4.911 8.597 1.00 0.00 O ATOM 382 CB THR 1 27 13.532 -4.842 8.899 1.00 0.00 C ATOM 383 OG1 THR 1 27 14.488 -5.679 9.545 1.00 0.00 O ATOM 384 CG2 THR 1 27 13.036 -3.915 10.012 1.00 0.00 C ATOM 0 H THR 1 27 11.421 -5.253 6.683 1.00 0.00 H new ATOM 0 HA THR 1 27 12.763 -6.825 8.677 1.00 0.00 H new ATOM 0 HB THR 1 27 13.882 -4.244 8.057 1.00 0.00 H new ATOM 0 HG1 THR 1 27 15.226 -5.131 9.885 1.00 0.00 H new ATOM 0 HG21 THR 1 27 13.842 -3.247 10.315 1.00 0.00 H new ATOM 0 HG22 THR 1 27 12.194 -3.326 9.647 1.00 0.00 H new ATOM 0 HG23 THR 1 27 12.718 -4.511 10.867 1.00 0.00 H new ATOM 392 N PRO 1 28 10.967 -6.251 10.307 1.00 0.00 N ATOM 393 CA PRO 1 28 9.739 -6.148 11.076 1.00 0.00 C ATOM 394 C PRO 1 28 9.632 -4.782 11.759 1.00 0.00 C ATOM 395 O PRO 1 28 9.493 -4.702 12.978 1.00 0.00 O ATOM 396 CB PRO 1 28 9.796 -7.302 12.064 1.00 0.00 C ATOM 397 CG PRO 1 28 11.254 -7.725 12.125 1.00 0.00 C ATOM 398 CD PRO 1 28 11.976 -7.087 10.950 1.00 0.00 C ATOM 0 HA PRO 1 28 8.847 -6.216 10.454 1.00 0.00 H new ATOM 0 HB2 PRO 1 28 9.437 -6.994 13.046 1.00 0.00 H new ATOM 0 HB3 PRO 1 28 9.163 -8.127 11.738 1.00 0.00 H new ATOM 0 HG2 PRO 1 28 11.704 -7.409 13.066 1.00 0.00 H new ATOM 0 HG3 PRO 1 28 11.338 -8.811 12.080 1.00 0.00 H new ATOM 0 HD2 PRO 1 28 12.828 -6.494 11.283 1.00 0.00 H new ATOM 0 HD3 PRO 1 28 12.361 -7.842 10.264 1.00 0.00 H new ATOM 406 N LYS 1 29 9.702 -3.741 10.942 1.00 0.00 N ATOM 407 CA LYS 1 29 9.616 -2.383 11.451 1.00 0.00 C ATOM 408 C LYS 1 29 9.724 -1.398 10.286 1.00 0.00 C ATOM 409 O LYS 1 29 9.244 -0.269 10.375 1.00 0.00 O ATOM 410 CB LYS 1 29 10.658 -2.155 12.548 1.00 0.00 C ATOM 411 CG LYS 1 29 10.492 -0.773 13.183 1.00 0.00 C ATOM 412 CD LYS 1 29 10.577 -0.856 14.708 1.00 0.00 C ATOM 413 CE LYS 1 29 11.679 0.058 15.247 1.00 0.00 C ATOM 414 NZ LYS 1 29 11.091 1.237 15.921 1.00 0.00 N ATOM 0 H LYS 1 29 9.817 -3.811 9.931 1.00 0.00 H new ATOM 0 HA LYS 1 29 8.648 -2.214 11.923 1.00 0.00 H new ATOM 0 HB2 LYS 1 29 10.560 -2.925 13.313 1.00 0.00 H new ATOM 0 HB3 LYS 1 29 11.660 -2.248 12.128 1.00 0.00 H new ATOM 0 HG2 LYS 1 29 11.265 -0.102 12.808 1.00 0.00 H new ATOM 0 HG3 LYS 1 29 9.532 -0.348 12.891 1.00 0.00 H new ATOM 0 HD2 LYS 1 29 9.619 -0.573 15.145 1.00 0.00 H new ATOM 0 HD3 LYS 1 29 10.773 -1.885 15.009 1.00 0.00 H new ATOM 0 HE2 LYS 1 29 12.307 -0.493 15.947 1.00 0.00 H new ATOM 0 HE3 LYS 1 29 12.323 0.383 14.429 1.00 0.00 H new ATOM 0 HZ1 LYS 1 29 11.853 1.847 16.281 1.00 0.00 H new ATOM 0 HZ2 LYS 1 29 10.511 1.771 15.243 1.00 0.00 H new ATOM 0 HZ3 LYS 1 29 10.496 0.923 16.714 1.00 0.00 H new ATOM 428 N GLU 1 30 10.357 -1.861 9.218 1.00 0.00 N ATOM 429 CA GLU 1 30 10.534 -1.034 8.036 1.00 0.00 C ATOM 430 C GLU 1 30 9.467 -1.368 6.991 1.00 0.00 C ATOM 431 O GLU 1 30 8.860 -0.469 6.411 1.00 0.00 O ATOM 432 CB GLU 1 30 11.940 -1.201 7.456 1.00 0.00 C ATOM 433 CG GLU 1 30 12.841 -0.031 7.855 1.00 0.00 C ATOM 434 CD GLU 1 30 13.676 -0.377 9.089 1.00 0.00 C ATOM 435 OE1 GLU 1 30 14.459 -1.346 8.989 1.00 0.00 O ATOM 436 OE2 GLU 1 30 13.512 0.334 10.103 1.00 0.00 O ATOM 0 H GLU 1 30 10.754 -2.798 9.146 1.00 0.00 H new ATOM 0 HA GLU 1 30 10.418 0.010 8.326 1.00 0.00 H new ATOM 0 HB2 GLU 1 30 12.374 -2.136 7.810 1.00 0.00 H new ATOM 0 HB3 GLU 1 30 11.883 -1.267 6.369 1.00 0.00 H new ATOM 0 HG2 GLU 1 30 13.500 0.224 7.025 1.00 0.00 H new ATOM 0 HG3 GLU 1 30 12.231 0.849 8.059 1.00 0.00 H new ATOM 443 N CYS 1 31 9.271 -2.661 6.783 1.00 0.00 N ATOM 444 CA CYS 1 31 8.288 -3.123 5.817 1.00 0.00 C ATOM 445 C CYS 1 31 6.902 -2.690 6.299 1.00 0.00 C ATOM 446 O CYS 1 31 6.165 -2.029 5.568 1.00 0.00 O ATOM 447 CB CYS 1 31 8.371 -4.636 5.607 1.00 0.00 C ATOM 448 SG CYS 1 31 9.572 -5.169 4.333 1.00 0.00 S ATOM 0 H CYS 1 31 9.776 -3.404 7.267 1.00 0.00 H new ATOM 0 HA CYS 1 31 8.491 -2.675 4.844 1.00 0.00 H new ATOM 0 HB2 CYS 1 31 8.635 -5.106 6.554 1.00 0.00 H new ATOM 0 HB3 CYS 1 31 7.383 -5.005 5.332 1.00 0.00 H new ATOM 453 N ASN 1 32 6.589 -3.078 7.526 1.00 0.00 N ATOM 454 CA ASN 1 32 5.304 -2.737 8.114 1.00 0.00 C ATOM 455 C ASN 1 32 5.208 -1.218 8.275 1.00 0.00 C ATOM 456 O ASN 1 32 4.166 -0.696 8.667 1.00 0.00 O ATOM 457 CB ASN 1 32 5.145 -3.370 9.497 1.00 0.00 C ATOM 458 CG ASN 1 32 4.290 -4.636 9.426 1.00 0.00 C ATOM 459 OD1 ASN 1 32 4.810 -5.599 8.670 1.00 0.00 O flip ATOM 460 ND2 ASN 1 32 3.228 -4.732 10.019 1.00 0.00 N flip ATOM 0 H ASN 1 32 7.203 -3.625 8.130 1.00 0.00 H new ATOM 0 HA ASN 1 32 4.522 -3.112 7.454 1.00 0.00 H new ATOM 0 HB2 ASN 1 32 6.126 -3.612 9.905 1.00 0.00 H new ATOM 0 HB3 ASN 1 32 4.685 -2.654 10.178 1.00 0.00 H new ATOM 0 HD21 ASN 1 32 2.887 -3.954 10.583 1.00 0.00 H new ATOM 0 HD22 ASN 1 32 2.682 -5.591 9.951 1.00 0.00 H new ATOM 467 N ASN 1 33 6.311 -0.552 7.964 1.00 0.00 N ATOM 468 CA ASN 1 33 6.364 0.897 8.070 1.00 0.00 C ATOM 469 C ASN 1 33 6.340 1.507 6.667 1.00 0.00 C ATOM 470 O ASN 1 33 5.894 2.639 6.486 1.00 0.00 O ATOM 471 CB ASN 1 33 7.651 1.351 8.761 1.00 0.00 C ATOM 472 CG ASN 1 33 7.816 2.869 8.669 1.00 0.00 C ATOM 473 OD1 ASN 1 33 6.971 3.639 9.094 1.00 0.00 O ATOM 474 ND2 ASN 1 33 8.949 3.257 8.090 1.00 0.00 N ATOM 0 H ASN 1 33 7.174 -0.988 7.639 1.00 0.00 H new ATOM 0 HA ASN 1 33 5.505 1.225 8.656 1.00 0.00 H new ATOM 0 HB2 ASN 1 33 7.633 1.046 9.807 1.00 0.00 H new ATOM 0 HB3 ASN 1 33 8.508 0.860 8.300 1.00 0.00 H new ATOM 0 HD21 ASN 1 33 9.152 4.251 7.981 1.00 0.00 H new ATOM 0 HD22 ASN 1 33 9.615 2.561 7.756 1.00 0.00 H new ATOM 481 N ARG 1 34 6.824 0.729 5.709 1.00 0.00 N ATOM 482 CA ARG 1 34 6.863 1.179 4.328 1.00 0.00 C ATOM 483 C ARG 1 34 5.523 0.907 3.643 1.00 0.00 C ATOM 484 O ARG 1 34 5.107 1.660 2.763 1.00 0.00 O ATOM 485 CB ARG 1 34 7.978 0.476 3.552 1.00 0.00 C ATOM 486 CG ARG 1 34 7.490 -0.856 2.977 1.00 0.00 C ATOM 487 CD ARG 1 34 6.758 -0.644 1.650 1.00 0.00 C ATOM 488 NE ARG 1 34 7.578 -1.160 0.531 1.00 0.00 N ATOM 489 CZ ARG 1 34 7.218 -1.092 -0.758 1.00 0.00 C ATOM 490 NH1 ARG 1 34 6.051 -0.529 -1.099 1.00 0.00 N ATOM 491 NH2 ARG 1 34 8.026 -1.586 -1.705 1.00 0.00 N ATOM 0 H ARG 1 34 7.192 -0.210 5.862 1.00 0.00 H new ATOM 0 HA ARG 1 34 7.060 2.251 4.333 1.00 0.00 H new ATOM 0 HB2 ARG 1 34 8.325 1.120 2.744 1.00 0.00 H new ATOM 0 HB3 ARG 1 34 8.830 0.302 4.209 1.00 0.00 H new ATOM 0 HG2 ARG 1 34 8.338 -1.524 2.826 1.00 0.00 H new ATOM 0 HG3 ARG 1 34 6.824 -1.342 3.690 1.00 0.00 H new ATOM 0 HD2 ARG 1 34 5.795 -1.154 1.671 1.00 0.00 H new ATOM 0 HD3 ARG 1 34 6.554 0.417 1.503 1.00 0.00 H new ATOM 0 HE ARG 1 34 8.473 -1.595 0.755 1.00 0.00 H new ATOM 0 HH11 ARG 1 34 5.436 -0.152 -0.377 1.00 0.00 H new ATOM 0 HH12 ARG 1 34 5.777 -0.477 -2.080 1.00 0.00 H new ATOM 0 HH21 ARG 1 34 8.915 -2.014 -1.445 1.00 0.00 H new ATOM 0 HH22 ARG 1 34 7.753 -1.535 -2.686 1.00 0.00 H new ATOM 505 N GLY 1 35 4.885 -0.172 4.071 1.00 0.00 N ATOM 506 CA GLY 1 35 3.599 -0.553 3.510 1.00 0.00 C ATOM 507 C GLY 1 35 3.591 -2.029 3.110 1.00 0.00 C ATOM 508 O GLY 1 35 2.801 -2.444 2.264 1.00 0.00 O ATOM 0 H GLY 1 35 5.234 -0.795 4.800 1.00 0.00 H new ATOM 0 HA2 GLY 1 35 2.810 -0.366 4.239 1.00 0.00 H new ATOM 0 HA3 GLY 1 35 3.381 0.065 2.639 1.00 0.00 H new ATOM 512 N CYS 1 36 4.480 -2.784 3.739 1.00 0.00 N ATOM 513 CA CYS 1 36 4.586 -4.206 3.460 1.00 0.00 C ATOM 514 C CYS 1 36 4.328 -4.972 4.760 1.00 0.00 C ATOM 515 O CYS 1 36 4.084 -4.366 5.803 1.00 0.00 O ATOM 516 CB CYS 1 36 5.942 -4.563 2.848 1.00 0.00 C ATOM 517 SG CYS 1 36 6.360 -3.647 1.320 1.00 0.00 S ATOM 0 H CYS 1 36 5.134 -2.437 4.441 1.00 0.00 H new ATOM 0 HA CYS 1 36 3.840 -4.489 2.718 1.00 0.00 H new ATOM 0 HB2 CYS 1 36 6.719 -4.378 3.590 1.00 0.00 H new ATOM 0 HB3 CYS 1 36 5.957 -5.631 2.630 1.00 0.00 H new ATOM 522 N CYS 1 37 4.389 -6.291 4.654 1.00 0.00 N ATOM 523 CA CYS 1 37 4.164 -7.144 5.809 1.00 0.00 C ATOM 524 C CYS 1 37 5.373 -8.071 5.964 1.00 0.00 C ATOM 525 O CYS 1 37 5.783 -8.727 5.008 1.00 0.00 O ATOM 526 CB CYS 1 37 2.857 -7.929 5.686 1.00 0.00 C ATOM 527 SG CYS 1 37 2.111 -8.432 7.279 1.00 0.00 S ATOM 0 H CYS 1 37 4.591 -6.790 3.787 1.00 0.00 H new ATOM 0 HA CYS 1 37 4.060 -6.530 6.703 1.00 0.00 H new ATOM 0 HB2 CYS 1 37 2.136 -7.323 5.138 1.00 0.00 H new ATOM 0 HB3 CYS 1 37 3.041 -8.822 5.089 1.00 0.00 H new ATOM 532 N PHE 1 38 5.909 -8.094 7.175 1.00 0.00 N ATOM 533 CA PHE 1 38 7.062 -8.928 7.467 1.00 0.00 C ATOM 534 C PHE 1 38 6.628 -10.314 7.947 1.00 0.00 C ATOM 535 O PHE 1 38 5.898 -10.434 8.931 1.00 0.00 O ATOM 536 CB PHE 1 38 7.843 -8.235 8.586 1.00 0.00 C ATOM 537 CG PHE 1 38 9.244 -8.808 8.813 1.00 0.00 C ATOM 538 CD1 PHE 1 38 10.266 -8.450 7.991 1.00 0.00 C ATOM 539 CD2 PHE 1 38 9.466 -9.674 9.837 1.00 0.00 C ATOM 540 CE1 PHE 1 38 11.566 -8.982 8.202 1.00 0.00 C ATOM 541 CE2 PHE 1 38 10.766 -10.206 10.048 1.00 0.00 C ATOM 542 CZ PHE 1 38 11.788 -9.849 9.227 1.00 0.00 C ATOM 0 H PHE 1 38 5.566 -7.548 7.966 1.00 0.00 H new ATOM 0 HA PHE 1 38 7.666 -9.057 6.569 1.00 0.00 H new ATOM 0 HB2 PHE 1 38 7.929 -7.174 8.352 1.00 0.00 H new ATOM 0 HB3 PHE 1 38 7.275 -8.312 9.513 1.00 0.00 H new ATOM 0 HD1 PHE 1 38 10.089 -7.761 7.178 1.00 0.00 H new ATOM 0 HD2 PHE 1 38 8.654 -9.958 10.490 1.00 0.00 H new ATOM 0 HE1 PHE 1 38 12.378 -8.698 7.549 1.00 0.00 H new ATOM 0 HE2 PHE 1 38 10.942 -10.894 10.861 1.00 0.00 H new ATOM 0 HZ PHE 1 38 12.776 -10.253 9.388 1.00 0.00 H new ATOM 552 N ASP 1 39 7.096 -11.327 7.232 1.00 0.00 N ATOM 553 CA ASP 1 39 6.764 -12.700 7.573 1.00 0.00 C ATOM 554 C ASP 1 39 7.594 -13.135 8.784 1.00 0.00 C ATOM 555 O ASP 1 39 7.164 -12.973 9.925 1.00 0.00 O ATOM 556 CB ASP 1 39 7.085 -13.647 6.416 1.00 0.00 C ATOM 557 CG ASP 1 39 7.186 -15.125 6.799 1.00 0.00 C ATOM 558 OD1 ASP 1 39 6.436 -15.527 7.714 1.00 0.00 O ATOM 559 OD2 ASP 1 39 8.012 -15.820 6.168 1.00 0.00 O ATOM 0 H ASP 1 39 7.702 -11.224 6.418 1.00 0.00 H new ATOM 0 HA ASP 1 39 5.697 -12.745 7.791 1.00 0.00 H new ATOM 0 HB2 ASP 1 39 6.315 -13.537 5.652 1.00 0.00 H new ATOM 0 HB3 ASP 1 39 8.028 -13.339 5.965 1.00 0.00 H new ATOM 564 N SER 1 40 8.767 -13.676 8.493 1.00 0.00 N ATOM 565 CA SER 1 40 9.661 -14.134 9.542 1.00 0.00 C ATOM 566 C SER 1 40 9.379 -15.603 9.864 1.00 0.00 C ATOM 567 O SER 1 40 10.250 -16.311 10.368 1.00 0.00 O ATOM 568 CB SER 1 40 9.517 -13.278 10.802 1.00 0.00 C ATOM 569 OG SER 1 40 10.684 -13.327 11.617 1.00 0.00 O ATOM 0 H SER 1 40 9.119 -13.808 7.545 1.00 0.00 H new ATOM 0 HA SER 1 40 10.686 -14.036 9.185 1.00 0.00 H new ATOM 0 HB2 SER 1 40 9.317 -12.245 10.517 1.00 0.00 H new ATOM 0 HB3 SER 1 40 8.658 -13.622 11.378 1.00 0.00 H new ATOM 0 HG SER 1 40 10.553 -12.767 12.410 1.00 0.00 H new ATOM 575 N ARG 1 41 8.158 -16.019 9.562 1.00 0.00 N ATOM 576 CA ARG 1 41 7.750 -17.391 9.813 1.00 0.00 C ATOM 577 C ARG 1 41 8.447 -18.339 8.835 1.00 0.00 C ATOM 578 O ARG 1 41 8.929 -19.399 9.231 1.00 0.00 O ATOM 579 CB ARG 1 41 6.234 -17.549 9.675 1.00 0.00 C ATOM 580 CG ARG 1 41 5.495 -16.487 10.491 1.00 0.00 C ATOM 581 CD ARG 1 41 4.240 -17.072 11.142 1.00 0.00 C ATOM 582 NE ARG 1 41 4.159 -16.648 12.557 1.00 0.00 N ATOM 583 CZ ARG 1 41 3.067 -16.785 13.322 1.00 0.00 C ATOM 584 NH1 ARG 1 41 1.958 -17.337 12.811 1.00 0.00 N ATOM 585 NH2 ARG 1 41 3.085 -16.372 14.596 1.00 0.00 N ATOM 0 H ARG 1 41 7.437 -15.430 9.145 1.00 0.00 H new ATOM 0 HA ARG 1 41 8.038 -17.641 10.834 1.00 0.00 H new ATOM 0 HB2 ARG 1 41 5.951 -17.469 8.626 1.00 0.00 H new ATOM 0 HB3 ARG 1 41 5.936 -18.543 10.010 1.00 0.00 H new ATOM 0 HG2 ARG 1 41 6.156 -16.089 11.260 1.00 0.00 H new ATOM 0 HG3 ARG 1 41 5.219 -15.653 9.845 1.00 0.00 H new ATOM 0 HD2 ARG 1 41 3.353 -16.740 10.603 1.00 0.00 H new ATOM 0 HD3 ARG 1 41 4.262 -18.160 11.081 1.00 0.00 H new ATOM 0 HE ARG 1 41 4.987 -16.225 12.977 1.00 0.00 H new ATOM 0 HH11 ARG 1 41 1.946 -17.652 11.841 1.00 0.00 H new ATOM 0 HH12 ARG 1 41 1.126 -17.442 13.392 1.00 0.00 H new ATOM 0 HH21 ARG 1 41 3.930 -15.953 14.984 1.00 0.00 H new ATOM 0 HH22 ARG 1 41 2.254 -16.476 15.178 1.00 0.00 H new ATOM 599 N ILE 1 42 8.477 -17.924 7.578 1.00 0.00 N ATOM 600 CA ILE 1 42 9.107 -18.723 6.540 1.00 0.00 C ATOM 601 C ILE 1 42 10.244 -17.921 5.904 1.00 0.00 C ATOM 602 O ILE 1 42 9.999 -17.008 5.116 1.00 0.00 O ATOM 603 CB ILE 1 42 8.062 -19.214 5.535 1.00 0.00 C ATOM 604 CG1 ILE 1 42 6.703 -19.409 6.207 1.00 0.00 C ATOM 605 CG2 ILE 1 42 8.539 -20.485 4.827 1.00 0.00 C ATOM 606 CD1 ILE 1 42 5.834 -20.388 5.416 1.00 0.00 C ATOM 0 H ILE 1 42 8.075 -17.044 7.254 1.00 0.00 H new ATOM 0 HA ILE 1 42 9.552 -19.622 6.967 1.00 0.00 H new ATOM 0 HB ILE 1 42 7.935 -18.447 4.771 1.00 0.00 H new ATOM 0 HG12 ILE 1 42 6.845 -19.782 7.221 1.00 0.00 H new ATOM 0 HG13 ILE 1 42 6.193 -18.449 6.289 1.00 0.00 H new ATOM 0 HG21 ILE 1 42 7.779 -20.814 4.118 1.00 0.00 H new ATOM 0 HG22 ILE 1 42 9.467 -20.278 4.294 1.00 0.00 H new ATOM 0 HG23 ILE 1 42 8.711 -21.269 5.564 1.00 0.00 H new ATOM 0 HD11 ILE 1 42 4.873 -20.508 5.917 1.00 0.00 H new ATOM 0 HD12 ILE 1 42 5.673 -20.001 4.410 1.00 0.00 H new ATOM 0 HD13 ILE 1 42 6.336 -21.354 5.357 1.00 0.00 H new ATOM 618 N PRO 1 43 11.494 -18.300 6.279 1.00 0.00 N ATOM 619 CA PRO 1 43 12.670 -17.627 5.753 1.00 0.00 C ATOM 620 C PRO 1 43 12.939 -18.044 4.306 1.00 0.00 C ATOM 621 O PRO 1 43 13.857 -17.529 3.669 1.00 0.00 O ATOM 622 CB PRO 1 43 13.796 -18.007 6.700 1.00 0.00 C ATOM 623 CG PRO 1 43 13.317 -19.241 7.446 1.00 0.00 C ATOM 624 CD PRO 1 43 11.822 -19.377 7.209 1.00 0.00 C ATOM 0 HA PRO 1 43 12.552 -16.544 5.710 1.00 0.00 H new ATOM 0 HB2 PRO 1 43 14.714 -18.215 6.151 1.00 0.00 H new ATOM 0 HB3 PRO 1 43 14.015 -17.194 7.392 1.00 0.00 H new ATOM 0 HG2 PRO 1 43 13.842 -20.129 7.093 1.00 0.00 H new ATOM 0 HG3 PRO 1 43 13.528 -19.149 8.511 1.00 0.00 H new ATOM 0 HD2 PRO 1 43 11.575 -20.352 6.789 1.00 0.00 H new ATOM 0 HD3 PRO 1 43 11.263 -19.280 8.140 1.00 0.00 H new ATOM 632 N GLY 1 44 12.122 -18.970 3.829 1.00 0.00 N ATOM 633 CA GLY 1 44 12.261 -19.462 2.469 1.00 0.00 C ATOM 634 C GLY 1 44 11.356 -18.686 1.510 1.00 0.00 C ATOM 635 O GLY 1 44 11.387 -18.912 0.301 1.00 0.00 O ATOM 0 H GLY 1 44 11.361 -19.393 4.360 1.00 0.00 H new ATOM 0 HA2 GLY 1 44 13.299 -19.370 2.150 1.00 0.00 H new ATOM 0 HA3 GLY 1 44 12.010 -20.522 2.434 1.00 0.00 H new ATOM 639 N VAL 1 45 10.569 -17.789 2.085 1.00 0.00 N ATOM 640 CA VAL 1 45 9.656 -16.978 1.298 1.00 0.00 C ATOM 641 C VAL 1 45 9.972 -15.498 1.522 1.00 0.00 C ATOM 642 O VAL 1 45 10.952 -15.162 2.185 1.00 0.00 O ATOM 643 CB VAL 1 45 8.209 -17.339 1.640 1.00 0.00 C ATOM 644 CG1 VAL 1 45 8.072 -18.835 1.935 1.00 0.00 C ATOM 645 CG2 VAL 1 45 7.696 -16.500 2.810 1.00 0.00 C ATOM 0 H VAL 1 45 10.545 -17.606 3.088 1.00 0.00 H new ATOM 0 HA VAL 1 45 9.785 -17.180 0.235 1.00 0.00 H new ATOM 0 HB VAL 1 45 7.593 -17.111 0.770 1.00 0.00 H new ATOM 0 HG11 VAL 1 45 7.034 -19.065 2.175 1.00 0.00 H new ATOM 0 HG12 VAL 1 45 8.377 -19.408 1.059 1.00 0.00 H new ATOM 0 HG13 VAL 1 45 8.707 -19.099 2.781 1.00 0.00 H new ATOM 0 HG21 VAL 1 45 6.665 -16.777 3.032 1.00 0.00 H new ATOM 0 HG22 VAL 1 45 8.317 -16.681 3.687 1.00 0.00 H new ATOM 0 HG23 VAL 1 45 7.739 -15.443 2.546 1.00 0.00 H new ATOM 655 N PRO 1 46 9.101 -14.631 0.941 1.00 0.00 N ATOM 656 CA PRO 1 46 9.277 -13.194 1.070 1.00 0.00 C ATOM 657 C PRO 1 46 8.876 -12.716 2.467 1.00 0.00 C ATOM 658 O PRO 1 46 7.751 -12.949 2.907 1.00 0.00 O ATOM 659 CB PRO 1 46 8.422 -12.591 -0.033 1.00 0.00 C ATOM 660 CG PRO 1 46 7.439 -13.679 -0.439 1.00 0.00 C ATOM 661 CD PRO 1 46 7.929 -14.993 0.148 1.00 0.00 C ATOM 0 HA PRO 1 46 10.317 -12.886 0.961 1.00 0.00 H new ATOM 0 HB2 PRO 1 46 7.898 -11.703 0.320 1.00 0.00 H new ATOM 0 HB3 PRO 1 46 9.036 -12.283 -0.879 1.00 0.00 H new ATOM 0 HG2 PRO 1 46 6.439 -13.446 -0.072 1.00 0.00 H new ATOM 0 HG3 PRO 1 46 7.372 -13.747 -1.525 1.00 0.00 H new ATOM 0 HD2 PRO 1 46 7.162 -15.461 0.765 1.00 0.00 H new ATOM 0 HD3 PRO 1 46 8.186 -15.705 -0.636 1.00 0.00 H new ATOM 669 N TRP 1 47 9.818 -12.055 3.126 1.00 0.00 N ATOM 670 CA TRP 1 47 9.576 -11.543 4.463 1.00 0.00 C ATOM 671 C TRP 1 47 9.184 -10.069 4.341 1.00 0.00 C ATOM 672 O TRP 1 47 9.416 -9.283 5.257 1.00 0.00 O ATOM 673 CB TRP 1 47 10.793 -11.765 5.364 1.00 0.00 C ATOM 674 CG TRP 1 47 11.797 -12.779 4.813 1.00 0.00 C ATOM 675 CD1 TRP 1 47 11.737 -14.117 4.873 1.00 0.00 C ATOM 676 CD2 TRP 1 47 13.023 -12.482 4.111 1.00 0.00 C ATOM 677 NE1 TRP 1 47 12.830 -14.701 4.266 1.00 0.00 N ATOM 678 CE2 TRP 1 47 13.636 -13.675 3.787 1.00 0.00 C ATOM 679 CE3 TRP 1 47 13.596 -11.246 3.762 1.00 0.00 C ATOM 680 CZ2 TRP 1 47 14.853 -13.750 3.098 1.00 0.00 C ATOM 681 CZ3 TRP 1 47 14.811 -11.338 3.074 1.00 0.00 C ATOM 682 CH2 TRP 1 47 15.441 -12.531 2.740 1.00 0.00 C ATOM 0 H TRP 1 47 10.750 -11.863 2.758 1.00 0.00 H new ATOM 0 HA TRP 1 47 8.758 -12.083 4.940 1.00 0.00 H new ATOM 0 HB2 TRP 1 47 11.300 -10.812 5.514 1.00 0.00 H new ATOM 0 HB3 TRP 1 47 10.451 -12.102 6.343 1.00 0.00 H new ATOM 0 HD1 TRP 1 47 10.934 -14.669 5.338 1.00 0.00 H new ATOM 0 HE1 TRP 1 47 13.013 -15.701 4.184 1.00 0.00 H new ATOM 0 HE3 TRP 1 47 13.135 -10.300 4.006 1.00 0.00 H new ATOM 0 HZ2 TRP 1 47 15.313 -14.697 2.856 1.00 0.00 H new ATOM 0 HZ3 TRP 1 47 15.293 -10.417 2.782 1.00 0.00 H new ATOM 0 HH2 TRP 1 47 16.380 -12.518 2.207 1.00 0.00 H new ATOM 693 N CYS 1 48 8.594 -9.740 3.201 1.00 0.00 N ATOM 694 CA CYS 1 48 8.167 -8.375 2.947 1.00 0.00 C ATOM 695 C CYS 1 48 7.230 -8.382 1.737 1.00 0.00 C ATOM 696 O CYS 1 48 7.682 -8.504 0.599 1.00 0.00 O ATOM 697 CB CYS 1 48 9.358 -7.438 2.741 1.00 0.00 C ATOM 698 SG CYS 1 48 8.935 -5.658 2.686 1.00 0.00 S ATOM 0 H CYS 1 48 8.402 -10.395 2.443 1.00 0.00 H new ATOM 0 HA CYS 1 48 7.634 -7.991 3.816 1.00 0.00 H new ATOM 0 HB2 CYS 1 48 10.075 -7.602 3.546 1.00 0.00 H new ATOM 0 HB3 CYS 1 48 9.857 -7.707 1.810 1.00 0.00 H new ATOM 703 N PHE 1 49 5.944 -8.248 2.023 1.00 0.00 N ATOM 704 CA PHE 1 49 4.941 -8.238 0.971 1.00 0.00 C ATOM 705 C PHE 1 49 3.841 -7.218 1.273 1.00 0.00 C ATOM 706 O PHE 1 49 3.955 -6.439 2.219 1.00 0.00 O ATOM 707 CB PHE 1 49 4.323 -9.637 0.929 1.00 0.00 C ATOM 708 CG PHE 1 49 4.389 -10.388 2.260 1.00 0.00 C ATOM 709 CD1 PHE 1 49 5.592 -10.769 2.767 1.00 0.00 C ATOM 710 CD2 PHE 1 49 3.245 -10.673 2.937 1.00 0.00 C ATOM 711 CE1 PHE 1 49 5.654 -11.466 4.003 1.00 0.00 C ATOM 712 CE2 PHE 1 49 3.306 -11.370 4.173 1.00 0.00 C ATOM 713 CZ PHE 1 49 4.509 -11.752 4.680 1.00 0.00 C ATOM 0 H PHE 1 49 5.573 -8.145 2.968 1.00 0.00 H new ATOM 0 HA PHE 1 49 5.401 -7.967 0.021 1.00 0.00 H new ATOM 0 HB2 PHE 1 49 3.280 -9.553 0.623 1.00 0.00 H new ATOM 0 HB3 PHE 1 49 4.833 -10.225 0.166 1.00 0.00 H new ATOM 0 HD1 PHE 1 49 6.501 -10.541 2.230 1.00 0.00 H new ATOM 0 HD2 PHE 1 49 2.290 -10.369 2.535 1.00 0.00 H new ATOM 0 HE1 PHE 1 49 6.609 -11.769 4.405 1.00 0.00 H new ATOM 0 HE2 PHE 1 49 2.397 -11.597 4.710 1.00 0.00 H new ATOM 0 HZ PHE 1 49 4.555 -12.282 5.620 1.00 0.00 H new ATOM 723 N LYS 1 50 2.803 -7.253 0.452 1.00 0.00 N ATOM 724 CA LYS 1 50 1.685 -6.341 0.618 1.00 0.00 C ATOM 725 C LYS 1 50 0.394 -7.147 0.777 1.00 0.00 C ATOM 726 O LYS 1 50 -0.455 -7.151 -0.114 1.00 0.00 O ATOM 727 CB LYS 1 50 1.641 -5.331 -0.530 1.00 0.00 C ATOM 728 CG LYS 1 50 1.627 -6.041 -1.885 1.00 0.00 C ATOM 729 CD LYS 1 50 2.797 -5.582 -2.757 1.00 0.00 C ATOM 730 CE LYS 1 50 2.946 -4.060 -2.717 1.00 0.00 C ATOM 731 NZ LYS 1 50 3.072 -3.516 -4.088 1.00 0.00 N ATOM 0 H LYS 1 50 2.712 -7.900 -0.332 1.00 0.00 H new ATOM 0 HA LYS 1 50 1.807 -5.751 1.526 1.00 0.00 H new ATOM 0 HB2 LYS 1 50 0.754 -4.705 -0.434 1.00 0.00 H new ATOM 0 HB3 LYS 1 50 2.506 -4.670 -0.471 1.00 0.00 H new ATOM 0 HG2 LYS 1 50 1.682 -7.119 -1.735 1.00 0.00 H new ATOM 0 HG3 LYS 1 50 0.686 -5.838 -2.396 1.00 0.00 H new ATOM 0 HD2 LYS 1 50 3.719 -6.050 -2.411 1.00 0.00 H new ATOM 0 HD3 LYS 1 50 2.639 -5.909 -3.785 1.00 0.00 H new ATOM 0 HE2 LYS 1 50 2.082 -3.617 -2.221 1.00 0.00 H new ATOM 0 HE3 LYS 1 50 3.824 -3.790 -2.130 1.00 0.00 H new ATOM 0 HZ1 LYS 1 50 3.678 -2.671 -4.072 1.00 0.00 H new ATOM 0 HZ2 LYS 1 50 3.496 -4.234 -4.709 1.00 0.00 H new ATOM 0 HZ3 LYS 1 50 2.130 -3.260 -4.448 1.00 0.00 H new ATOM 745 N PRO 1 51 0.282 -7.829 1.949 1.00 0.00 N ATOM 746 CA PRO 1 51 -0.890 -8.637 2.236 1.00 0.00 C ATOM 747 C PRO 1 51 -2.089 -7.757 2.594 1.00 0.00 C ATOM 748 O PRO 1 51 -2.780 -7.253 1.711 1.00 0.00 O ATOM 749 CB PRO 1 51 -0.467 -9.555 3.371 1.00 0.00 C ATOM 750 CG PRO 1 51 0.767 -8.915 3.987 1.00 0.00 C ATOM 751 CD PRO 1 51 1.267 -7.848 3.027 1.00 0.00 C ATOM 0 HA PRO 1 51 -1.222 -9.217 1.375 1.00 0.00 H new ATOM 0 HB2 PRO 1 51 -1.263 -9.657 4.108 1.00 0.00 H new ATOM 0 HB3 PRO 1 51 -0.245 -10.556 3.001 1.00 0.00 H new ATOM 0 HG2 PRO 1 51 0.526 -8.475 4.955 1.00 0.00 H new ATOM 0 HG3 PRO 1 51 1.539 -9.664 4.161 1.00 0.00 H new ATOM 0 HD2 PRO 1 51 1.337 -6.877 3.516 1.00 0.00 H new ATOM 0 HD3 PRO 1 51 2.261 -8.088 2.651 1.00 0.00 H new ATOM 759 N LEU 1 52 -2.298 -7.598 3.893 1.00 0.00 N ATOM 760 CA LEU 1 52 -3.402 -6.787 4.379 1.00 0.00 C ATOM 761 C LEU 1 52 -2.919 -5.350 4.589 1.00 0.00 C ATOM 762 O LEU 1 52 -3.417 -4.646 5.467 1.00 0.00 O ATOM 763 CB LEU 1 52 -4.020 -7.417 5.629 1.00 0.00 C ATOM 764 CG LEU 1 52 -3.405 -6.996 6.966 1.00 0.00 C ATOM 765 CD1 LEU 1 52 -4.462 -6.386 7.888 1.00 0.00 C ATOM 766 CD2 LEU 1 52 -2.675 -8.167 7.627 1.00 0.00 C ATOM 0 H LEU 1 52 -1.722 -8.017 4.623 1.00 0.00 H new ATOM 0 HA LEU 1 52 -4.202 -6.750 3.640 1.00 0.00 H new ATOM 0 HB2 LEU 1 52 -5.082 -7.173 5.647 1.00 0.00 H new ATOM 0 HB3 LEU 1 52 -3.943 -8.501 5.541 1.00 0.00 H new ATOM 0 HG LEU 1 52 -2.662 -6.222 6.771 1.00 0.00 H new ATOM 0 HD11 LEU 1 52 -3.998 -6.096 8.831 1.00 0.00 H new ATOM 0 HD12 LEU 1 52 -4.897 -5.507 7.412 1.00 0.00 H new ATOM 0 HD13 LEU 1 52 -5.245 -7.120 8.080 1.00 0.00 H new ATOM 0 HD21 LEU 1 52 -2.247 -7.841 8.575 1.00 0.00 H new ATOM 0 HD22 LEU 1 52 -3.379 -8.980 7.807 1.00 0.00 H new ATOM 0 HD23 LEU 1 52 -1.878 -8.516 6.971 1.00 0.00 H new ATOM 778 N GLN 1 53 -1.955 -4.958 3.769 1.00 0.00 N ATOM 779 CA GLN 1 53 -1.399 -3.619 3.853 1.00 0.00 C ATOM 780 C GLN 1 53 -2.518 -2.576 3.812 1.00 0.00 C ATOM 781 O GLN 1 53 -2.334 -1.444 4.256 1.00 0.00 O ATOM 782 CB GLN 1 53 -0.381 -3.375 2.738 1.00 0.00 C ATOM 783 CG GLN 1 53 0.802 -4.338 2.856 1.00 0.00 C ATOM 784 CD GLN 1 53 1.454 -4.239 4.236 1.00 0.00 C ATOM 785 OE1 GLN 1 53 1.737 -5.229 4.891 1.00 0.00 O ATOM 786 NE2 GLN 1 53 1.677 -2.991 4.641 1.00 0.00 N ATOM 0 H GLN 1 53 -1.545 -5.545 3.043 1.00 0.00 H new ATOM 0 HA GLN 1 53 -0.875 -3.524 4.804 1.00 0.00 H new ATOM 0 HB2 GLN 1 53 -0.862 -3.501 1.768 1.00 0.00 H new ATOM 0 HB3 GLN 1 53 -0.023 -2.346 2.786 1.00 0.00 H new ATOM 0 HG2 GLN 1 53 0.463 -5.359 2.683 1.00 0.00 H new ATOM 0 HG3 GLN 1 53 1.538 -4.111 2.085 1.00 0.00 H new ATOM 0 HE21 GLN 1 53 1.416 -2.207 4.044 1.00 0.00 H new ATOM 0 HE22 GLN 1 53 2.109 -2.819 5.549 1.00 0.00 H new ATOM 795 N GLU 1 54 -3.654 -2.996 3.273 1.00 0.00 N ATOM 796 CA GLU 1 54 -4.803 -2.112 3.167 1.00 0.00 C ATOM 797 C GLU 1 54 -4.924 -1.245 4.421 1.00 0.00 C ATOM 798 O GLU 1 54 -5.436 -0.128 4.362 1.00 0.00 O ATOM 799 CB GLU 1 54 -6.086 -2.908 2.925 1.00 0.00 C ATOM 800 CG GLU 1 54 -7.304 -2.168 3.482 1.00 0.00 C ATOM 801 CD GLU 1 54 -7.548 -2.537 4.947 1.00 0.00 C ATOM 802 OE1 GLU 1 54 -6.718 -3.301 5.485 1.00 0.00 O ATOM 803 OE2 GLU 1 54 -8.558 -2.046 5.495 1.00 0.00 O ATOM 0 H GLU 1 54 -3.803 -3.936 2.905 1.00 0.00 H new ATOM 0 HA GLU 1 54 -4.654 -1.456 2.309 1.00 0.00 H new ATOM 0 HB2 GLU 1 54 -6.217 -3.078 1.856 1.00 0.00 H new ATOM 0 HB3 GLU 1 54 -6.005 -3.888 3.396 1.00 0.00 H new ATOM 0 HG2 GLU 1 54 -7.151 -1.092 3.395 1.00 0.00 H new ATOM 0 HG3 GLU 1 54 -8.185 -2.414 2.890 1.00 0.00 H new ATOM 810 N ALA 1 55 -4.442 -1.791 5.528 1.00 0.00 N ATOM 811 CA ALA 1 55 -4.489 -1.082 6.795 1.00 0.00 C ATOM 812 C ALA 1 55 -4.251 0.409 6.549 1.00 0.00 C ATOM 813 O ALA 1 55 -5.176 1.214 6.646 1.00 0.00 O ATOM 814 CB ALA 1 55 -3.463 -1.685 7.758 1.00 0.00 C ATOM 0 H ALA 1 55 -4.017 -2.717 5.573 1.00 0.00 H new ATOM 0 HA ALA 1 55 -5.471 -1.188 7.257 1.00 0.00 H new ATOM 0 HB1 ALA 1 55 -3.499 -1.152 8.708 1.00 0.00 H new ATOM 0 HB2 ALA 1 55 -3.694 -2.737 7.923 1.00 0.00 H new ATOM 0 HB3 ALA 1 55 -2.465 -1.595 7.329 1.00 0.00 H new ATOM 820 N GLU 1 56 -3.005 0.733 6.234 1.00 0.00 N ATOM 821 CA GLU 1 56 -2.634 2.114 5.973 1.00 0.00 C ATOM 822 C GLU 1 56 -1.916 2.224 4.627 1.00 0.00 C ATOM 823 O GLU 1 56 -1.141 3.154 4.407 1.00 0.00 O ATOM 824 CB GLU 1 56 -1.768 2.671 7.105 1.00 0.00 C ATOM 825 CG GLU 1 56 -2.236 4.069 7.515 1.00 0.00 C ATOM 826 CD GLU 1 56 -1.670 4.458 8.882 1.00 0.00 C ATOM 827 OE1 GLU 1 56 -0.454 4.238 9.076 1.00 0.00 O ATOM 828 OE2 GLU 1 56 -2.465 4.965 9.703 1.00 0.00 O ATOM 0 H GLU 1 56 -2.240 0.063 6.154 1.00 0.00 H new ATOM 0 HA GLU 1 56 -3.543 2.713 5.927 1.00 0.00 H new ATOM 0 HB2 GLU 1 56 -1.812 2.002 7.964 1.00 0.00 H new ATOM 0 HB3 GLU 1 56 -0.727 2.711 6.785 1.00 0.00 H new ATOM 0 HG2 GLU 1 56 -1.920 4.796 6.767 1.00 0.00 H new ATOM 0 HG3 GLU 1 56 -3.325 4.097 7.547 1.00 0.00 H new ATOM 835 N CYS 1 57 -2.197 1.262 3.761 1.00 0.00 N ATOM 836 CA CYS 1 57 -1.588 1.240 2.442 1.00 0.00 C ATOM 837 C CYS 1 57 -2.647 1.647 1.416 1.00 0.00 C ATOM 838 O CYS 1 57 -2.417 2.540 0.602 1.00 0.00 O ATOM 839 CB CYS 1 57 -0.979 -0.127 2.122 1.00 0.00 C ATOM 840 SG CYS 1 57 0.371 -0.097 0.889 1.00 0.00 S ATOM 0 H CYS 1 57 -2.839 0.491 3.947 1.00 0.00 H new ATOM 0 HA CYS 1 57 -0.761 1.949 2.410 1.00 0.00 H new ATOM 0 HB2 CYS 1 57 -0.599 -0.565 3.045 1.00 0.00 H new ATOM 0 HB3 CYS 1 57 -1.769 -0.785 1.759 1.00 0.00 H new ATOM 845 N THR 1 58 -3.785 0.972 1.488 1.00 0.00 N ATOM 846 CA THR 1 58 -4.881 1.252 0.577 1.00 0.00 C ATOM 847 C THR 1 58 -5.812 2.309 1.171 1.00 0.00 C ATOM 848 O THR 1 58 -6.440 3.072 0.438 1.00 0.00 O ATOM 849 CB THR 1 58 -5.584 -0.071 0.261 1.00 0.00 C ATOM 850 OG1 THR 1 58 -6.000 0.072 -1.094 1.00 0.00 O ATOM 851 CG2 THR 1 58 -6.891 -0.237 1.037 1.00 0.00 C ATOM 0 H THR 1 58 -3.971 0.231 2.164 1.00 0.00 H new ATOM 0 HA THR 1 58 -4.518 1.675 -0.360 1.00 0.00 H new ATOM 0 HB THR 1 58 -4.917 -0.902 0.491 1.00 0.00 H new ATOM 0 HG1 THR 1 58 -6.308 0.990 -1.246 1.00 0.00 H new ATOM 0 HG21 THR 1 58 -7.350 -1.191 0.777 1.00 0.00 H new ATOM 0 HG22 THR 1 58 -6.684 -0.213 2.107 1.00 0.00 H new ATOM 0 HG23 THR 1 58 -7.572 0.575 0.781 1.00 0.00 H new ATOM 859 N PHE 1 59 -5.875 2.320 2.494 1.00 0.00 N ATOM 860 CA PHE 1 59 -6.721 3.271 3.196 1.00 0.00 C ATOM 861 C PHE 1 59 -6.768 4.610 2.459 1.00 0.00 C ATOM 862 O PHE 1 59 -7.752 4.918 1.787 1.00 0.00 O ATOM 863 CB PHE 1 59 -6.101 3.486 4.579 1.00 0.00 C ATOM 864 CG PHE 1 59 -7.127 3.671 5.699 1.00 0.00 C ATOM 865 CD1 PHE 1 59 -7.950 2.645 6.043 1.00 0.00 C ATOM 866 CD2 PHE 1 59 -7.216 4.862 6.349 1.00 0.00 C ATOM 867 CE1 PHE 1 59 -8.902 2.818 7.083 1.00 0.00 C ATOM 868 CE2 PHE 1 59 -8.168 5.036 7.388 1.00 0.00 C ATOM 869 CZ PHE 1 59 -8.991 4.009 7.733 1.00 0.00 C ATOM 0 H PHE 1 59 -5.354 1.685 3.099 1.00 0.00 H new ATOM 0 HA PHE 1 59 -7.739 2.886 3.261 1.00 0.00 H new ATOM 0 HB2 PHE 1 59 -5.467 2.632 4.818 1.00 0.00 H new ATOM 0 HB3 PHE 1 59 -5.455 4.363 4.544 1.00 0.00 H new ATOM 0 HD1 PHE 1 59 -7.880 1.699 5.526 1.00 0.00 H new ATOM 0 HD2 PHE 1 59 -6.562 5.676 6.075 1.00 0.00 H new ATOM 0 HE1 PHE 1 59 -9.555 2.003 7.358 1.00 0.00 H new ATOM 0 HE2 PHE 1 59 -8.239 5.982 7.904 1.00 0.00 H new ATOM 0 HZ PHE 1 59 -9.715 4.140 8.523 1.00 0.00 H new TER 879 PHE 1 59 ATOM 880 N GLU 2 1 -22.844 2.265 -6.863 1.00 0.00 N ATOM 881 CA GLU 2 1 -21.409 2.409 -7.036 1.00 0.00 C ATOM 882 C GLU 2 1 -20.662 1.502 -6.055 1.00 0.00 C ATOM 883 O GLU 2 1 -20.786 1.659 -4.842 1.00 0.00 O ATOM 884 CB GLU 2 1 -20.980 3.868 -6.867 1.00 0.00 C ATOM 885 CG GLU 2 1 -21.633 4.492 -5.632 1.00 0.00 C ATOM 886 CD GLU 2 1 -22.763 5.444 -6.032 1.00 0.00 C ATOM 887 OE1 GLU 2 1 -23.553 5.047 -6.915 1.00 0.00 O ATOM 888 OE2 GLU 2 1 -22.811 6.546 -5.445 1.00 0.00 O ATOM 0 H1 GLU 2 1 -23.310 3.174 -7.059 1.00 0.00 H new ATOM 0 H2 GLU 2 1 -23.202 1.543 -7.520 1.00 0.00 H new ATOM 0 H3 GLU 2 1 -23.048 1.975 -5.885 1.00 0.00 H new ATOM 0 HA GLU 2 1 -21.153 2.104 -8.051 1.00 0.00 H new ATOM 0 HB2 GLU 2 1 -19.895 3.924 -6.776 1.00 0.00 H new ATOM 0 HB3 GLU 2 1 -21.255 4.437 -7.755 1.00 0.00 H new ATOM 0 HG2 GLU 2 1 -22.026 3.706 -4.987 1.00 0.00 H new ATOM 0 HG3 GLU 2 1 -20.884 5.033 -5.054 1.00 0.00 H new ATOM 895 N GLU 2 2 -19.904 0.573 -6.618 1.00 0.00 N ATOM 896 CA GLU 2 2 -19.137 -0.359 -5.809 1.00 0.00 C ATOM 897 C GLU 2 2 -17.745 0.206 -5.524 1.00 0.00 C ATOM 898 O GLU 2 2 -17.605 1.379 -5.180 1.00 0.00 O ATOM 899 CB GLU 2 2 -19.046 -1.728 -6.487 1.00 0.00 C ATOM 900 CG GLU 2 2 -18.753 -2.827 -5.465 1.00 0.00 C ATOM 901 CD GLU 2 2 -19.915 -3.819 -5.379 1.00 0.00 C ATOM 902 OE1 GLU 2 2 -20.947 -3.434 -4.789 1.00 0.00 O ATOM 903 OE2 GLU 2 2 -19.745 -4.940 -5.905 1.00 0.00 O ATOM 0 H GLU 2 2 -19.804 0.446 -7.625 1.00 0.00 H new ATOM 0 HA GLU 2 2 -19.653 -0.495 -4.859 1.00 0.00 H new ATOM 0 HB2 GLU 2 2 -19.982 -1.946 -7.002 1.00 0.00 H new ATOM 0 HB3 GLU 2 2 -18.262 -1.712 -7.244 1.00 0.00 H new ATOM 0 HG2 GLU 2 2 -17.840 -3.354 -5.743 1.00 0.00 H new ATOM 0 HG3 GLU 2 2 -18.578 -2.381 -4.486 1.00 0.00 H new ATOM 910 N TYR 2 3 -16.749 -0.654 -5.678 1.00 0.00 N ATOM 911 CA TYR 2 3 -15.371 -0.255 -5.442 1.00 0.00 C ATOM 912 C TYR 2 3 -14.806 0.501 -6.646 1.00 0.00 C ATOM 913 O TYR 2 3 -13.833 0.064 -7.258 1.00 0.00 O ATOM 914 CB TYR 2 3 -14.583 -1.552 -5.254 1.00 0.00 C ATOM 915 CG TYR 2 3 -15.043 -2.697 -6.159 1.00 0.00 C ATOM 916 CD1 TYR 2 3 -15.370 -2.447 -7.476 1.00 0.00 C ATOM 917 CD2 TYR 2 3 -15.132 -3.980 -5.659 1.00 0.00 C ATOM 918 CE1 TYR 2 3 -15.803 -3.524 -8.328 1.00 0.00 C ATOM 919 CE2 TYR 2 3 -15.564 -5.058 -6.510 1.00 0.00 C ATOM 920 CZ TYR 2 3 -15.879 -4.776 -7.803 1.00 0.00 C ATOM 921 OH TYR 2 3 -16.288 -5.794 -8.608 1.00 0.00 O ATOM 0 H TYR 2 3 -16.868 -1.626 -5.963 1.00 0.00 H new ATOM 0 HA TYR 2 3 -15.305 0.404 -4.576 1.00 0.00 H new ATOM 0 HB2 TYR 2 3 -13.528 -1.355 -5.443 1.00 0.00 H new ATOM 0 HB3 TYR 2 3 -14.667 -1.868 -4.214 1.00 0.00 H new ATOM 0 HD1 TYR 2 3 -15.301 -1.443 -7.868 1.00 0.00 H new ATOM 0 HD2 TYR 2 3 -14.877 -4.176 -4.628 1.00 0.00 H new ATOM 0 HE1 TYR 2 3 -16.062 -3.342 -9.361 1.00 0.00 H new ATOM 0 HE2 TYR 2 3 -15.636 -6.067 -6.131 1.00 0.00 H new ATOM 0 HH TYR 2 3 -16.293 -6.632 -8.099 1.00 0.00 H new ATOM 931 N VAL 2 4 -15.439 1.626 -6.948 1.00 0.00 N ATOM 932 CA VAL 2 4 -15.011 2.447 -8.068 1.00 0.00 C ATOM 933 C VAL 2 4 -14.673 3.852 -7.564 1.00 0.00 C ATOM 934 O VAL 2 4 -13.654 4.423 -7.944 1.00 0.00 O ATOM 935 CB VAL 2 4 -16.084 2.445 -9.159 1.00 0.00 C ATOM 936 CG1 VAL 2 4 -16.472 1.016 -9.543 1.00 0.00 C ATOM 937 CG2 VAL 2 4 -17.310 3.248 -8.724 1.00 0.00 C ATOM 0 H VAL 2 4 -16.244 1.988 -6.437 1.00 0.00 H new ATOM 0 HA VAL 2 4 -14.108 2.037 -8.519 1.00 0.00 H new ATOM 0 HB VAL 2 4 -15.665 2.927 -10.042 1.00 0.00 H new ATOM 0 HG11 VAL 2 4 -17.236 1.043 -10.320 1.00 0.00 H new ATOM 0 HG12 VAL 2 4 -15.594 0.488 -9.915 1.00 0.00 H new ATOM 0 HG13 VAL 2 4 -16.863 0.497 -8.668 1.00 0.00 H new ATOM 0 HG21 VAL 2 4 -18.057 3.230 -9.518 1.00 0.00 H new ATOM 0 HG22 VAL 2 4 -17.731 2.808 -7.820 1.00 0.00 H new ATOM 0 HG23 VAL 2 4 -17.018 4.279 -8.524 1.00 0.00 H new ATOM 947 N GLY 2 5 -15.551 4.368 -6.715 1.00 0.00 N ATOM 948 CA GLY 2 5 -15.358 5.695 -6.156 1.00 0.00 C ATOM 949 C GLY 2 5 -14.178 5.713 -5.182 1.00 0.00 C ATOM 950 O GLY 2 5 -13.821 6.766 -4.654 1.00 0.00 O ATOM 0 H GLY 2 5 -16.396 3.891 -6.401 1.00 0.00 H new ATOM 0 HA2 GLY 2 5 -15.182 6.410 -6.960 1.00 0.00 H new ATOM 0 HA3 GLY 2 5 -16.265 6.012 -5.641 1.00 0.00 H new ATOM 954 N LEU 2 6 -13.606 4.537 -4.974 1.00 0.00 N ATOM 955 CA LEU 2 6 -12.472 4.406 -4.074 1.00 0.00 C ATOM 956 C LEU 2 6 -11.231 4.014 -4.877 1.00 0.00 C ATOM 957 O LEU 2 6 -10.122 4.000 -4.345 1.00 0.00 O ATOM 958 CB LEU 2 6 -12.801 3.434 -2.938 1.00 0.00 C ATOM 959 CG LEU 2 6 -14.269 3.374 -2.511 1.00 0.00 C ATOM 960 CD1 LEU 2 6 -14.848 4.779 -2.335 1.00 0.00 C ATOM 961 CD2 LEU 2 6 -15.091 2.534 -3.492 1.00 0.00 C ATOM 0 H LEU 2 6 -13.906 3.666 -5.413 1.00 0.00 H new ATOM 0 HA LEU 2 6 -12.253 5.360 -3.595 1.00 0.00 H new ATOM 0 HB2 LEU 2 6 -12.490 2.434 -3.240 1.00 0.00 H new ATOM 0 HB3 LEU 2 6 -12.201 3.705 -2.069 1.00 0.00 H new ATOM 0 HG LEU 2 6 -14.322 2.881 -1.540 1.00 0.00 H new ATOM 0 HD11 LEU 2 6 -15.892 4.707 -2.031 1.00 0.00 H new ATOM 0 HD12 LEU 2 6 -14.284 5.312 -1.570 1.00 0.00 H new ATOM 0 HD13 LEU 2 6 -14.781 5.321 -3.278 1.00 0.00 H new ATOM 0 HD21 LEU 2 6 -16.131 2.507 -3.166 1.00 0.00 H new ATOM 0 HD22 LEU 2 6 -15.034 2.977 -4.486 1.00 0.00 H new ATOM 0 HD23 LEU 2 6 -14.694 1.519 -3.523 1.00 0.00 H new ATOM 973 N SER 2 7 -11.459 3.707 -6.145 1.00 0.00 N ATOM 974 CA SER 2 7 -10.372 3.316 -7.028 1.00 0.00 C ATOM 975 C SER 2 7 -10.188 4.365 -8.126 1.00 0.00 C ATOM 976 O SER 2 7 -11.070 5.191 -8.356 1.00 0.00 O ATOM 977 CB SER 2 7 -10.631 1.941 -7.645 1.00 0.00 C ATOM 978 OG SER 2 7 -11.651 1.986 -8.641 1.00 0.00 O ATOM 0 H SER 2 7 -12.380 3.721 -6.583 1.00 0.00 H new ATOM 0 HA SER 2 7 -9.458 3.252 -6.438 1.00 0.00 H new ATOM 0 HB2 SER 2 7 -9.709 1.562 -8.087 1.00 0.00 H new ATOM 0 HB3 SER 2 7 -10.920 1.241 -6.861 1.00 0.00 H new ATOM 0 HG SER 2 7 -11.786 1.089 -9.012 1.00 0.00 H new ATOM 984 N ALA 2 8 -9.034 4.299 -8.776 1.00 0.00 N ATOM 985 CA ALA 2 8 -8.723 5.232 -9.845 1.00 0.00 C ATOM 986 C ALA 2 8 -9.292 6.609 -9.495 1.00 0.00 C ATOM 987 O ALA 2 8 -8.625 7.414 -8.846 1.00 0.00 O ATOM 988 CB ALA 2 8 -9.269 4.694 -11.169 1.00 0.00 C ATOM 0 H ALA 2 8 -8.304 3.614 -8.582 1.00 0.00 H new ATOM 0 HA ALA 2 8 -7.644 5.340 -9.958 1.00 0.00 H new ATOM 0 HB1 ALA 2 8 -9.035 5.395 -11.971 1.00 0.00 H new ATOM 0 HB2 ALA 2 8 -8.811 3.729 -11.386 1.00 0.00 H new ATOM 0 HB3 ALA 2 8 -10.350 4.575 -11.095 1.00 0.00 H new ATOM 994 N ASN 2 9 -10.519 6.837 -9.941 1.00 0.00 N ATOM 995 CA ASN 2 9 -11.185 8.103 -9.684 1.00 0.00 C ATOM 996 C ASN 2 9 -10.789 8.610 -8.296 1.00 0.00 C ATOM 997 O ASN 2 9 -10.701 9.817 -8.074 1.00 0.00 O ATOM 998 CB ASN 2 9 -12.706 7.940 -9.710 1.00 0.00 C ATOM 999 CG ASN 2 9 -13.402 9.215 -9.231 1.00 0.00 C ATOM 1000 OD1 ASN 2 9 -12.872 10.336 -9.714 1.00 0.00 O flip ATOM 1001 ND2 ASN 2 9 -14.359 9.183 -8.474 1.00 0.00 N flip ATOM 0 H ASN 2 9 -11.069 6.167 -10.478 1.00 0.00 H new ATOM 0 HA ASN 2 9 -10.883 8.806 -10.460 1.00 0.00 H new ATOM 0 HB2 ASN 2 9 -13.033 7.701 -10.722 1.00 0.00 H new ATOM 0 HB3 ASN 2 9 -12.997 7.103 -9.076 1.00 0.00 H new ATOM 0 HD21 ASN 2 9 -14.716 8.287 -8.141 1.00 0.00 H new ATOM 0 HD22 ASN 2 9 -14.802 10.052 -8.175 1.00 0.00 H new ATOM 1008 N GLN 2 10 -10.559 7.663 -7.398 1.00 0.00 N ATOM 1009 CA GLN 2 10 -10.173 7.999 -6.038 1.00 0.00 C ATOM 1010 C GLN 2 10 -8.816 8.707 -6.030 1.00 0.00 C ATOM 1011 O GLN 2 10 -8.665 9.758 -5.409 1.00 0.00 O ATOM 1012 CB GLN 2 10 -10.146 6.752 -5.152 1.00 0.00 C ATOM 1013 CG GLN 2 10 -10.564 7.089 -3.719 1.00 0.00 C ATOM 1014 CD GLN 2 10 -10.108 6.000 -2.745 1.00 0.00 C ATOM 1015 OE1 GLN 2 10 -10.889 5.433 -1.999 1.00 0.00 O ATOM 1016 NE2 GLN 2 10 -8.805 5.741 -2.795 1.00 0.00 N ATOM 0 H GLN 2 10 -10.633 6.663 -7.586 1.00 0.00 H new ATOM 0 HA GLN 2 10 -10.918 8.680 -5.628 1.00 0.00 H new ATOM 0 HB2 GLN 2 10 -10.816 5.996 -5.562 1.00 0.00 H new ATOM 0 HB3 GLN 2 10 -9.144 6.324 -5.151 1.00 0.00 H new ATOM 0 HG2 GLN 2 10 -10.134 8.047 -3.427 1.00 0.00 H new ATOM 0 HG3 GLN 2 10 -11.647 7.197 -3.668 1.00 0.00 H new ATOM 0 HE21 GLN 2 10 -8.208 6.254 -3.444 1.00 0.00 H new ATOM 0 HE22 GLN 2 10 -8.403 5.030 -2.185 1.00 0.00 H new ATOM 1025 N CYS 2 11 -7.866 8.103 -6.728 1.00 0.00 N ATOM 1026 CA CYS 2 11 -6.527 8.662 -6.808 1.00 0.00 C ATOM 1027 C CYS 2 11 -6.602 9.977 -7.588 1.00 0.00 C ATOM 1028 O CYS 2 11 -5.609 10.694 -7.699 1.00 0.00 O ATOM 1029 CB CYS 2 11 -5.540 7.678 -7.441 1.00 0.00 C ATOM 1030 SG CYS 2 11 -3.840 8.322 -7.645 1.00 0.00 S ATOM 0 H CYS 2 11 -7.997 7.232 -7.243 1.00 0.00 H new ATOM 0 HA CYS 2 11 -6.150 8.857 -5.804 1.00 0.00 H new ATOM 0 HB2 CYS 2 11 -5.501 6.778 -6.827 1.00 0.00 H new ATOM 0 HB3 CYS 2 11 -5.921 7.381 -8.418 1.00 0.00 H new ATOM 1035 N ALA 2 12 -7.790 10.253 -8.107 1.00 0.00 N ATOM 1036 CA ALA 2 12 -8.007 11.469 -8.873 1.00 0.00 C ATOM 1037 C ALA 2 12 -8.902 12.417 -8.073 1.00 0.00 C ATOM 1038 O ALA 2 12 -9.468 13.358 -8.627 1.00 0.00 O ATOM 1039 CB ALA 2 12 -8.605 11.113 -10.236 1.00 0.00 C ATOM 0 H ALA 2 12 -8.612 9.656 -8.012 1.00 0.00 H new ATOM 0 HA ALA 2 12 -7.063 11.982 -9.055 1.00 0.00 H new ATOM 0 HB1 ALA 2 12 -8.768 12.024 -10.811 1.00 0.00 H new ATOM 0 HB2 ALA 2 12 -7.918 10.461 -10.776 1.00 0.00 H new ATOM 0 HB3 ALA 2 12 -9.556 10.599 -10.093 1.00 0.00 H new ATOM 1045 N VAL 2 13 -9.001 12.137 -6.782 1.00 0.00 N ATOM 1046 CA VAL 2 13 -9.818 12.953 -5.900 1.00 0.00 C ATOM 1047 C VAL 2 13 -9.522 14.431 -6.161 1.00 0.00 C ATOM 1048 O VAL 2 13 -8.555 14.763 -6.846 1.00 0.00 O ATOM 1049 CB VAL 2 13 -9.584 12.545 -4.443 1.00 0.00 C ATOM 1050 CG1 VAL 2 13 -8.781 13.614 -3.697 1.00 0.00 C ATOM 1051 CG2 VAL 2 13 -10.908 12.259 -3.735 1.00 0.00 C ATOM 0 H VAL 2 13 -8.529 11.356 -6.325 1.00 0.00 H new ATOM 0 HA VAL 2 13 -10.877 12.792 -6.103 1.00 0.00 H new ATOM 0 HB VAL 2 13 -8.999 11.625 -4.442 1.00 0.00 H new ATOM 0 HG11 VAL 2 13 -8.628 13.300 -2.664 1.00 0.00 H new ATOM 0 HG12 VAL 2 13 -7.814 13.747 -4.182 1.00 0.00 H new ATOM 0 HG13 VAL 2 13 -9.328 14.557 -3.712 1.00 0.00 H new ATOM 0 HG21 VAL 2 13 -10.713 11.971 -2.702 1.00 0.00 H new ATOM 0 HG22 VAL 2 13 -11.530 13.154 -3.752 1.00 0.00 H new ATOM 0 HG23 VAL 2 13 -11.426 11.447 -4.246 1.00 0.00 H new ATOM 1061 N PRO 2 14 -10.396 15.302 -5.588 1.00 0.00 N ATOM 1062 CA PRO 2 14 -10.238 16.737 -5.753 1.00 0.00 C ATOM 1063 C PRO 2 14 -9.090 17.265 -4.890 1.00 0.00 C ATOM 1064 O PRO 2 14 -9.092 18.429 -4.494 1.00 0.00 O ATOM 1065 CB PRO 2 14 -11.586 17.327 -5.374 1.00 0.00 C ATOM 1066 CG PRO 2 14 -12.300 16.252 -4.570 1.00 0.00 C ATOM 1067 CD PRO 2 14 -11.551 14.945 -4.771 1.00 0.00 C ATOM 0 HA PRO 2 14 -9.968 17.016 -6.771 1.00 0.00 H new ATOM 0 HB2 PRO 2 14 -11.463 18.237 -4.787 1.00 0.00 H new ATOM 0 HB3 PRO 2 14 -12.158 17.596 -6.262 1.00 0.00 H new ATOM 0 HG2 PRO 2 14 -12.325 16.519 -3.513 1.00 0.00 H new ATOM 0 HG3 PRO 2 14 -13.335 16.154 -4.899 1.00 0.00 H new ATOM 0 HD2 PRO 2 14 -11.244 14.514 -3.818 1.00 0.00 H new ATOM 0 HD3 PRO 2 14 -12.175 14.204 -5.270 1.00 0.00 H new ATOM 1075 N ALA 2 15 -8.138 16.384 -4.623 1.00 0.00 N ATOM 1076 CA ALA 2 15 -6.987 16.746 -3.813 1.00 0.00 C ATOM 1077 C ALA 2 15 -7.466 17.419 -2.525 1.00 0.00 C ATOM 1078 O ALA 2 15 -7.207 18.601 -2.305 1.00 0.00 O ATOM 1079 CB ALA 2 15 -6.053 17.644 -4.628 1.00 0.00 C ATOM 0 H ALA 2 15 -8.140 15.419 -4.953 1.00 0.00 H new ATOM 0 HA ALA 2 15 -6.422 15.858 -3.530 1.00 0.00 H new ATOM 0 HB1 ALA 2 15 -5.189 17.916 -4.021 1.00 0.00 H new ATOM 0 HB2 ALA 2 15 -5.718 17.109 -5.517 1.00 0.00 H new ATOM 0 HB3 ALA 2 15 -6.586 18.547 -4.927 1.00 0.00 H new ATOM 1085 N LYS 2 16 -8.156 16.636 -1.709 1.00 0.00 N ATOM 1086 CA LYS 2 16 -8.674 17.141 -0.448 1.00 0.00 C ATOM 1087 C LYS 2 16 -9.511 16.053 0.227 1.00 0.00 C ATOM 1088 O LYS 2 16 -10.526 16.347 0.856 1.00 0.00 O ATOM 1089 CB LYS 2 16 -9.431 18.453 -0.667 1.00 0.00 C ATOM 1090 CG LYS 2 16 -10.328 18.368 -1.904 1.00 0.00 C ATOM 1091 CD LYS 2 16 -11.787 18.658 -1.543 1.00 0.00 C ATOM 1092 CE LYS 2 16 -12.360 17.557 -0.649 1.00 0.00 C ATOM 1093 NZ LYS 2 16 -13.824 17.449 -0.834 1.00 0.00 N ATOM 0 H LYS 2 16 -8.369 15.656 -1.896 1.00 0.00 H new ATOM 0 HA LYS 2 16 -7.856 17.381 0.231 1.00 0.00 H new ATOM 0 HB2 LYS 2 16 -10.036 18.679 0.211 1.00 0.00 H new ATOM 0 HB3 LYS 2 16 -8.721 19.272 -0.784 1.00 0.00 H new ATOM 0 HG2 LYS 2 16 -9.987 19.080 -2.655 1.00 0.00 H new ATOM 0 HG3 LYS 2 16 -10.249 17.375 -2.347 1.00 0.00 H new ATOM 0 HD2 LYS 2 16 -11.855 19.618 -1.032 1.00 0.00 H new ATOM 0 HD3 LYS 2 16 -12.381 18.738 -2.453 1.00 0.00 H new ATOM 0 HE2 LYS 2 16 -11.886 16.604 -0.886 1.00 0.00 H new ATOM 0 HE3 LYS 2 16 -12.134 17.774 0.395 1.00 0.00 H new ATOM 0 HZ1 LYS 2 16 -14.197 16.697 -0.220 1.00 0.00 H new ATOM 0 HZ2 LYS 2 16 -14.273 18.354 -0.585 1.00 0.00 H new ATOM 0 HZ3 LYS 2 16 -14.033 17.220 -1.827 1.00 0.00 H new ATOM 1107 N ASP 2 17 -9.055 14.819 0.072 1.00 0.00 N ATOM 1108 CA ASP 2 17 -9.750 13.685 0.659 1.00 0.00 C ATOM 1109 C ASP 2 17 -8.770 12.522 0.822 1.00 0.00 C ATOM 1110 O ASP 2 17 -9.183 11.387 1.060 1.00 0.00 O ATOM 1111 CB ASP 2 17 -10.895 13.217 -0.240 1.00 0.00 C ATOM 1112 CG ASP 2 17 -11.989 12.416 0.471 1.00 0.00 C ATOM 1113 OD1 ASP 2 17 -11.867 12.261 1.706 1.00 0.00 O ATOM 1114 OD2 ASP 2 17 -12.922 11.979 -0.236 1.00 0.00 O ATOM 0 H ASP 2 17 -8.213 14.579 -0.451 1.00 0.00 H new ATOM 0 HA ASP 2 17 -10.153 13.997 1.623 1.00 0.00 H new ATOM 0 HB2 ASP 2 17 -11.350 14.090 -0.707 1.00 0.00 H new ATOM 0 HB3 ASP 2 17 -10.481 12.606 -1.042 1.00 0.00 H new ATOM 1119 N ARG 2 18 -7.491 12.842 0.687 1.00 0.00 N ATOM 1120 CA ARG 2 18 -6.450 11.837 0.816 1.00 0.00 C ATOM 1121 C ARG 2 18 -5.987 11.737 2.271 1.00 0.00 C ATOM 1122 O ARG 2 18 -6.441 12.497 3.125 1.00 0.00 O ATOM 1123 CB ARG 2 18 -5.250 12.170 -0.072 1.00 0.00 C ATOM 1124 CG ARG 2 18 -5.700 12.520 -1.492 1.00 0.00 C ATOM 1125 CD ARG 2 18 -4.889 13.691 -2.051 1.00 0.00 C ATOM 1126 NE ARG 2 18 -5.155 13.845 -3.499 1.00 0.00 N ATOM 1127 CZ ARG 2 18 -4.329 14.466 -4.352 1.00 0.00 C ATOM 1128 NH1 ARG 2 18 -3.181 14.994 -3.910 1.00 0.00 N ATOM 1129 NH2 ARG 2 18 -4.653 14.558 -5.650 1.00 0.00 N ATOM 0 H ARG 2 18 -7.152 13.784 0.489 1.00 0.00 H new ATOM 0 HA ARG 2 18 -6.869 10.882 0.498 1.00 0.00 H new ATOM 0 HB2 ARG 2 18 -4.698 13.007 0.355 1.00 0.00 H new ATOM 0 HB3 ARG 2 18 -4.568 11.320 -0.102 1.00 0.00 H new ATOM 0 HG2 ARG 2 18 -5.583 11.651 -2.139 1.00 0.00 H new ATOM 0 HG3 ARG 2 18 -6.760 12.775 -1.489 1.00 0.00 H new ATOM 0 HD2 ARG 2 18 -5.151 14.609 -1.525 1.00 0.00 H new ATOM 0 HD3 ARG 2 18 -3.825 13.520 -1.884 1.00 0.00 H new ATOM 0 HE ARG 2 18 -6.021 13.454 -3.871 1.00 0.00 H new ATOM 0 HH11 ARG 2 18 -2.934 14.924 -2.923 1.00 0.00 H new ATOM 0 HH12 ARG 2 18 -2.553 15.466 -4.560 1.00 0.00 H new ATOM 0 HH21 ARG 2 18 -5.527 14.155 -5.987 1.00 0.00 H new ATOM 0 HH22 ARG 2 18 -4.025 15.031 -6.300 1.00 0.00 H new ATOM 1143 N VAL 2 19 -5.088 10.793 2.509 1.00 0.00 N ATOM 1144 CA VAL 2 19 -4.558 10.585 3.846 1.00 0.00 C ATOM 1145 C VAL 2 19 -3.111 11.077 3.899 1.00 0.00 C ATOM 1146 O VAL 2 19 -2.338 10.655 4.758 1.00 0.00 O ATOM 1147 CB VAL 2 19 -4.705 9.114 4.242 1.00 0.00 C ATOM 1148 CG1 VAL 2 19 -4.642 8.947 5.762 1.00 0.00 C ATOM 1149 CG2 VAL 2 19 -5.997 8.520 3.679 1.00 0.00 C ATOM 0 H VAL 2 19 -4.713 10.164 1.799 1.00 0.00 H new ATOM 0 HA VAL 2 19 -5.124 11.163 4.576 1.00 0.00 H new ATOM 0 HB VAL 2 19 -3.868 8.566 3.809 1.00 0.00 H new ATOM 0 HG11 VAL 2 19 -4.749 7.893 6.017 1.00 0.00 H new ATOM 0 HG12 VAL 2 19 -3.683 9.314 6.129 1.00 0.00 H new ATOM 0 HG13 VAL 2 19 -5.449 9.516 6.224 1.00 0.00 H new ATOM 0 HG21 VAL 2 19 -6.076 7.474 3.975 1.00 0.00 H new ATOM 0 HG22 VAL 2 19 -6.852 9.073 4.068 1.00 0.00 H new ATOM 0 HG23 VAL 2 19 -5.985 8.589 2.591 1.00 0.00 H new ATOM 1159 N ASP 2 20 -2.787 11.963 2.969 1.00 0.00 N ATOM 1160 CA ASP 2 20 -1.445 12.517 2.898 1.00 0.00 C ATOM 1161 C ASP 2 20 -0.442 11.481 3.409 1.00 0.00 C ATOM 1162 O ASP 2 20 -0.104 11.470 4.592 1.00 0.00 O ATOM 1163 CB ASP 2 20 -1.320 13.768 3.771 1.00 0.00 C ATOM 1164 CG ASP 2 20 0.089 14.049 4.298 1.00 0.00 C ATOM 1165 OD1 ASP 2 20 1.036 13.889 3.498 1.00 0.00 O ATOM 1166 OD2 ASP 2 20 0.187 14.418 5.489 1.00 0.00 O ATOM 0 H ASP 2 20 -3.430 12.311 2.258 1.00 0.00 H new ATOM 0 HA ASP 2 20 -1.242 12.780 1.860 1.00 0.00 H new ATOM 0 HB2 ASP 2 20 -1.655 14.630 3.195 1.00 0.00 H new ATOM 0 HB3 ASP 2 20 -1.997 13.670 4.620 1.00 0.00 H new ATOM 1171 N CYS 2 21 0.005 10.635 2.494 1.00 0.00 N ATOM 1172 CA CYS 2 21 0.962 9.598 2.836 1.00 0.00 C ATOM 1173 C CYS 2 21 2.106 10.240 3.623 1.00 0.00 C ATOM 1174 O CYS 2 21 2.687 9.611 4.507 1.00 0.00 O ATOM 1175 CB CYS 2 21 1.467 8.860 1.594 1.00 0.00 C ATOM 1176 SG CYS 2 21 1.858 7.092 1.856 1.00 0.00 S ATOM 0 H CYS 2 21 -0.279 10.647 1.514 1.00 0.00 H new ATOM 0 HA CYS 2 21 0.477 8.842 3.454 1.00 0.00 H new ATOM 0 HB2 CYS 2 21 0.713 8.938 0.811 1.00 0.00 H new ATOM 0 HB3 CYS 2 21 2.361 9.365 1.228 1.00 0.00 H new ATOM 1181 N GLY 2 22 2.396 11.484 3.274 1.00 0.00 N ATOM 1182 CA GLY 2 22 3.460 12.219 3.937 1.00 0.00 C ATOM 1183 C GLY 2 22 4.790 11.470 3.834 1.00 0.00 C ATOM 1184 O GLY 2 22 5.466 11.257 4.839 1.00 0.00 O ATOM 0 H GLY 2 22 1.913 12.002 2.540 1.00 0.00 H new ATOM 0 HA2 GLY 2 22 3.559 13.207 3.488 1.00 0.00 H new ATOM 0 HA3 GLY 2 22 3.204 12.370 4.986 1.00 0.00 H new ATOM 1188 N TYR 2 23 5.125 11.090 2.610 1.00 0.00 N ATOM 1189 CA TYR 2 23 6.362 10.368 2.362 1.00 0.00 C ATOM 1190 C TYR 2 23 7.519 11.336 2.106 1.00 0.00 C ATOM 1191 O TYR 2 23 7.373 12.302 1.357 1.00 0.00 O ATOM 1192 CB TYR 2 23 6.120 9.537 1.101 1.00 0.00 C ATOM 1193 CG TYR 2 23 6.664 8.110 1.184 1.00 0.00 C ATOM 1194 CD1 TYR 2 23 6.506 7.377 2.343 1.00 0.00 C ATOM 1195 CD2 TYR 2 23 7.313 7.554 0.100 1.00 0.00 C ATOM 1196 CE1 TYR 2 23 7.017 6.033 2.421 1.00 0.00 C ATOM 1197 CE2 TYR 2 23 7.825 6.210 0.178 1.00 0.00 C ATOM 1198 CZ TYR 2 23 7.652 5.516 1.334 1.00 0.00 C ATOM 1199 OH TYR 2 23 8.135 4.247 1.408 1.00 0.00 O ATOM 0 H TYR 2 23 4.561 11.268 1.779 1.00 0.00 H new ATOM 0 HA TYR 2 23 6.627 9.754 3.223 1.00 0.00 H new ATOM 0 HB2 TYR 2 23 5.049 9.496 0.905 1.00 0.00 H new ATOM 0 HB3 TYR 2 23 6.580 10.042 0.252 1.00 0.00 H new ATOM 0 HD1 TYR 2 23 5.999 7.812 3.192 1.00 0.00 H new ATOM 0 HD2 TYR 2 23 7.437 8.127 -0.807 1.00 0.00 H new ATOM 0 HE1 TYR 2 23 6.899 5.449 3.322 1.00 0.00 H new ATOM 0 HE2 TYR 2 23 8.335 5.764 -0.663 1.00 0.00 H new ATOM 0 HH TYR 2 23 7.579 3.720 2.019 1.00 0.00 H new ATOM 1209 N PRO 2 24 8.673 11.038 2.760 1.00 0.00 N ATOM 1210 CA PRO 2 24 9.855 11.870 2.611 1.00 0.00 C ATOM 1211 C PRO 2 24 10.524 11.637 1.254 1.00 0.00 C ATOM 1212 O PRO 2 24 11.488 12.316 0.908 1.00 0.00 O ATOM 1213 CB PRO 2 24 10.749 11.499 3.783 1.00 0.00 C ATOM 1214 CG PRO 2 24 10.248 10.152 4.280 1.00 0.00 C ATOM 1215 CD PRO 2 24 8.884 9.904 3.656 1.00 0.00 C ATOM 0 HA PRO 2 24 9.622 12.935 2.625 1.00 0.00 H new ATOM 0 HB2 PRO 2 24 11.793 11.438 3.474 1.00 0.00 H new ATOM 0 HB3 PRO 2 24 10.693 12.251 4.570 1.00 0.00 H new ATOM 0 HG2 PRO 2 24 10.944 9.360 4.004 1.00 0.00 H new ATOM 0 HG3 PRO 2 24 10.177 10.149 5.368 1.00 0.00 H new ATOM 0 HD2 PRO 2 24 8.864 8.960 3.111 1.00 0.00 H new ATOM 0 HD3 PRO 2 24 8.105 9.850 4.416 1.00 0.00 H new ATOM 1223 N HIS 2 25 9.982 10.674 0.522 1.00 0.00 N ATOM 1224 CA HIS 2 25 10.513 10.342 -0.789 1.00 0.00 C ATOM 1225 C HIS 2 25 9.401 10.450 -1.835 1.00 0.00 C ATOM 1226 O HIS 2 25 9.456 9.794 -2.874 1.00 0.00 O ATOM 1227 CB HIS 2 25 11.181 8.966 -0.773 1.00 0.00 C ATOM 1228 CG HIS 2 25 12.672 9.010 -0.540 1.00 0.00 C ATOM 1229 ND1 HIS 2 25 13.557 9.565 -1.449 1.00 0.00 N ATOM 1230 CD2 HIS 2 25 13.424 8.564 0.507 1.00 0.00 C ATOM 1231 CE1 HIS 2 25 14.783 9.451 -0.961 1.00 0.00 C ATOM 1232 NE2 HIS 2 25 14.699 8.830 0.250 1.00 0.00 N ATOM 0 H HIS 2 25 9.181 10.113 0.812 1.00 0.00 H new ATOM 0 HA HIS 2 25 11.291 11.055 -1.061 1.00 0.00 H new ATOM 0 HB2 HIS 2 25 10.720 8.359 0.006 1.00 0.00 H new ATOM 0 HB3 HIS 2 25 10.987 8.468 -1.723 1.00 0.00 H new ATOM 0 HD2 HIS 2 25 13.046 8.077 1.394 1.00 0.00 H new ATOM 0 HE1 HIS 2 25 15.690 9.790 -1.439 1.00 0.00 H new ATOM 0 HE2 HIS 2 25 15.486 8.607 0.859 1.00 0.00 H new ATOM 1241 N VAL 2 26 8.418 11.281 -1.523 1.00 0.00 N ATOM 1242 CA VAL 2 26 7.296 11.483 -2.423 1.00 0.00 C ATOM 1243 C VAL 2 26 7.820 11.718 -3.841 1.00 0.00 C ATOM 1244 O VAL 2 26 8.588 12.650 -4.076 1.00 0.00 O ATOM 1245 CB VAL 2 26 6.415 12.626 -1.914 1.00 0.00 C ATOM 1246 CG1 VAL 2 26 7.267 13.764 -1.348 1.00 0.00 C ATOM 1247 CG2 VAL 2 26 5.483 13.134 -3.016 1.00 0.00 C ATOM 0 H VAL 2 26 8.375 11.822 -0.660 1.00 0.00 H new ATOM 0 HA VAL 2 26 6.666 10.594 -2.453 1.00 0.00 H new ATOM 0 HB VAL 2 26 5.796 12.237 -1.106 1.00 0.00 H new ATOM 0 HG11 VAL 2 26 6.617 14.564 -0.993 1.00 0.00 H new ATOM 0 HG12 VAL 2 26 7.869 13.391 -0.519 1.00 0.00 H new ATOM 0 HG13 VAL 2 26 7.924 14.150 -2.128 1.00 0.00 H new ATOM 0 HG21 VAL 2 26 4.868 13.946 -2.627 1.00 0.00 H new ATOM 0 HG22 VAL 2 26 6.076 13.498 -3.855 1.00 0.00 H new ATOM 0 HG23 VAL 2 26 4.840 12.321 -3.352 1.00 0.00 H new ATOM 1257 N THR 2 27 7.384 10.859 -4.749 1.00 0.00 N ATOM 1258 CA THR 2 27 7.800 10.961 -6.139 1.00 0.00 C ATOM 1259 C THR 2 27 6.916 10.082 -7.026 1.00 0.00 C ATOM 1260 O THR 2 27 6.386 9.070 -6.571 1.00 0.00 O ATOM 1261 CB THR 2 27 9.285 10.604 -6.214 1.00 0.00 C ATOM 1262 OG1 THR 2 27 9.917 11.824 -6.594 1.00 0.00 O ATOM 1263 CG2 THR 2 27 9.599 9.648 -7.367 1.00 0.00 C ATOM 0 H THR 2 27 6.746 10.088 -4.551 1.00 0.00 H new ATOM 0 HA THR 2 27 7.676 11.976 -6.517 1.00 0.00 H new ATOM 0 HB THR 2 27 9.598 10.153 -5.272 1.00 0.00 H new ATOM 0 HG1 THR 2 27 9.730 12.512 -5.922 1.00 0.00 H new ATOM 0 HG21 THR 2 27 10.666 9.427 -7.376 1.00 0.00 H new ATOM 0 HG22 THR 2 27 9.037 8.723 -7.236 1.00 0.00 H new ATOM 0 HG23 THR 2 27 9.317 10.113 -8.312 1.00 0.00 H new ATOM 1271 N PRO 2 28 6.784 10.512 -8.309 1.00 0.00 N ATOM 1272 CA PRO 2 28 5.974 9.775 -9.264 1.00 0.00 C ATOM 1273 C PRO 2 28 6.692 8.506 -9.728 1.00 0.00 C ATOM 1274 O PRO 2 28 6.784 8.241 -10.926 1.00 0.00 O ATOM 1275 CB PRO 2 28 5.712 10.754 -10.397 1.00 0.00 C ATOM 1276 CG PRO 2 28 6.763 11.844 -10.257 1.00 0.00 C ATOM 1277 CD PRO 2 28 7.397 11.706 -8.883 1.00 0.00 C ATOM 0 HA PRO 2 28 5.036 9.422 -8.835 1.00 0.00 H new ATOM 0 HB2 PRO 2 28 5.788 10.260 -11.366 1.00 0.00 H new ATOM 0 HB3 PRO 2 28 4.707 11.170 -10.329 1.00 0.00 H new ATOM 0 HG2 PRO 2 28 7.518 11.749 -11.037 1.00 0.00 H new ATOM 0 HG3 PRO 2 28 6.309 12.829 -10.371 1.00 0.00 H new ATOM 0 HD2 PRO 2 28 8.479 11.599 -8.955 1.00 0.00 H new ATOM 0 HD3 PRO 2 28 7.204 12.585 -8.268 1.00 0.00 H new ATOM 1285 N LYS 2 29 7.182 7.753 -8.753 1.00 0.00 N ATOM 1286 CA LYS 2 29 7.890 6.517 -9.047 1.00 0.00 C ATOM 1287 C LYS 2 29 8.250 5.819 -7.734 1.00 0.00 C ATOM 1288 O LYS 2 29 8.466 4.608 -7.710 1.00 0.00 O ATOM 1289 CB LYS 2 29 9.093 6.790 -9.950 1.00 0.00 C ATOM 1290 CG LYS 2 29 9.803 5.487 -10.327 1.00 0.00 C ATOM 1291 CD LYS 2 29 10.103 5.441 -11.826 1.00 0.00 C ATOM 1292 CE LYS 2 29 11.361 4.618 -12.108 1.00 0.00 C ATOM 1293 NZ LYS 2 29 12.092 5.168 -13.272 1.00 0.00 N ATOM 0 H LYS 2 29 7.103 7.974 -7.760 1.00 0.00 H new ATOM 0 HA LYS 2 29 7.251 5.834 -9.607 1.00 0.00 H new ATOM 0 HB2 LYS 2 29 8.765 7.304 -10.853 1.00 0.00 H new ATOM 0 HB3 LYS 2 29 9.791 7.455 -9.441 1.00 0.00 H new ATOM 0 HG2 LYS 2 29 10.732 5.399 -9.764 1.00 0.00 H new ATOM 0 HG3 LYS 2 29 9.180 4.636 -10.051 1.00 0.00 H new ATOM 0 HD2 LYS 2 29 9.255 5.009 -12.357 1.00 0.00 H new ATOM 0 HD3 LYS 2 29 10.234 6.454 -12.206 1.00 0.00 H new ATOM 0 HE2 LYS 2 29 12.008 4.620 -11.231 1.00 0.00 H new ATOM 0 HE3 LYS 2 29 11.088 3.580 -12.300 1.00 0.00 H new ATOM 0 HZ1 LYS 2 29 12.943 4.597 -13.449 1.00 0.00 H new ATOM 0 HZ2 LYS 2 29 11.478 5.143 -14.111 1.00 0.00 H new ATOM 0 HZ3 LYS 2 29 12.369 6.151 -13.075 1.00 0.00 H new ATOM 1307 N GLU 2 30 8.306 6.611 -6.674 1.00 0.00 N ATOM 1308 CA GLU 2 30 8.637 6.085 -5.361 1.00 0.00 C ATOM 1309 C GLU 2 30 7.362 5.784 -4.572 1.00 0.00 C ATOM 1310 O GLU 2 30 7.242 4.724 -3.960 1.00 0.00 O ATOM 1311 CB GLU 2 30 9.541 7.052 -4.594 1.00 0.00 C ATOM 1312 CG GLU 2 30 10.975 6.523 -4.522 1.00 0.00 C ATOM 1313 CD GLU 2 30 11.330 6.092 -3.099 1.00 0.00 C ATOM 1314 OE1 GLU 2 30 10.383 5.762 -2.353 1.00 0.00 O ATOM 1315 OE2 GLU 2 30 12.540 6.103 -2.787 1.00 0.00 O ATOM 0 H GLU 2 30 8.127 7.615 -6.698 1.00 0.00 H new ATOM 0 HA GLU 2 30 9.187 5.153 -5.494 1.00 0.00 H new ATOM 0 HB2 GLU 2 30 9.533 8.027 -5.082 1.00 0.00 H new ATOM 0 HB3 GLU 2 30 9.152 7.197 -3.586 1.00 0.00 H new ATOM 0 HG2 GLU 2 30 11.089 5.678 -5.201 1.00 0.00 H new ATOM 0 HG3 GLU 2 30 11.668 7.295 -4.855 1.00 0.00 H new ATOM 1322 N CYS 2 31 6.440 6.735 -4.613 1.00 0.00 N ATOM 1323 CA CYS 2 31 5.178 6.585 -3.909 1.00 0.00 C ATOM 1324 C CYS 2 31 4.445 5.374 -4.491 1.00 0.00 C ATOM 1325 O CYS 2 31 4.130 4.429 -3.770 1.00 0.00 O ATOM 1326 CB CYS 2 31 4.332 7.857 -3.988 1.00 0.00 C ATOM 1327 SG CYS 2 31 4.751 9.136 -2.749 1.00 0.00 S ATOM 0 H CYS 2 31 6.542 7.612 -5.123 1.00 0.00 H new ATOM 0 HA CYS 2 31 5.367 6.419 -2.848 1.00 0.00 H new ATOM 0 HB2 CYS 2 31 4.440 8.287 -4.984 1.00 0.00 H new ATOM 0 HB3 CYS 2 31 3.283 7.586 -3.870 1.00 0.00 H new ATOM 1332 N ASN 2 32 4.195 5.443 -5.790 1.00 0.00 N ATOM 1333 CA ASN 2 32 3.505 4.364 -6.478 1.00 0.00 C ATOM 1334 C ASN 2 32 4.314 3.074 -6.334 1.00 0.00 C ATOM 1335 O ASN 2 32 3.836 1.996 -6.684 1.00 0.00 O ATOM 1336 CB ASN 2 32 3.358 4.667 -7.970 1.00 0.00 C ATOM 1337 CG ASN 2 32 1.933 5.115 -8.301 1.00 0.00 C ATOM 1338 OD1 ASN 2 32 1.499 6.130 -7.559 1.00 0.00 O flip ATOM 1339 ND2 ASN 2 32 1.272 4.575 -9.173 1.00 0.00 N flip ATOM 0 H ASN 2 32 4.458 6.229 -6.385 1.00 0.00 H new ATOM 0 HA ASN 2 32 2.516 4.258 -6.033 1.00 0.00 H new ATOM 0 HB2 ASN 2 32 4.064 5.446 -8.258 1.00 0.00 H new ATOM 0 HB3 ASN 2 32 3.608 3.780 -8.551 1.00 0.00 H new ATOM 0 HD21 ASN 2 32 1.667 3.800 -9.706 1.00 0.00 H new ATOM 0 HD22 ASN 2 32 0.325 4.899 -9.369 1.00 0.00 H new ATOM 1346 N ASN 2 33 5.525 3.227 -5.819 1.00 0.00 N ATOM 1347 CA ASN 2 33 6.405 2.087 -5.625 1.00 0.00 C ATOM 1348 C ASN 2 33 6.374 1.668 -4.155 1.00 0.00 C ATOM 1349 O ASN 2 33 6.593 0.502 -3.832 1.00 0.00 O ATOM 1350 CB ASN 2 33 7.849 2.438 -5.986 1.00 0.00 C ATOM 1351 CG ASN 2 33 8.809 1.327 -5.555 1.00 0.00 C ATOM 1352 OD1 ASN 2 33 8.653 0.168 -5.902 1.00 0.00 O ATOM 1353 ND2 ASN 2 33 9.806 1.744 -4.780 1.00 0.00 N ATOM 0 H ASN 2 33 5.918 4.123 -5.530 1.00 0.00 H new ATOM 0 HA ASN 2 33 6.058 1.280 -6.270 1.00 0.00 H new ATOM 0 HB2 ASN 2 33 7.930 2.596 -7.061 1.00 0.00 H new ATOM 0 HB3 ASN 2 33 8.131 3.374 -5.504 1.00 0.00 H new ATOM 0 HD21 ASN 2 33 10.499 1.078 -4.438 1.00 0.00 H new ATOM 0 HD22 ASN 2 33 9.878 2.730 -4.527 1.00 0.00 H new ATOM 1360 N ARG 2 34 6.099 2.644 -3.300 1.00 0.00 N ATOM 1361 CA ARG 2 34 6.036 2.391 -1.871 1.00 0.00 C ATOM 1362 C ARG 2 34 4.618 1.989 -1.464 1.00 0.00 C ATOM 1363 O ARG 2 34 4.426 1.306 -0.461 1.00 0.00 O ATOM 1364 CB ARG 2 34 6.456 3.628 -1.074 1.00 0.00 C ATOM 1365 CG ARG 2 34 5.237 4.458 -0.667 1.00 0.00 C ATOM 1366 CD ARG 2 34 4.763 4.083 0.739 1.00 0.00 C ATOM 1367 NE ARG 2 34 3.341 3.680 0.704 1.00 0.00 N ATOM 1368 CZ ARG 2 34 2.518 3.734 1.761 1.00 0.00 C ATOM 1369 NH1 ARG 2 34 2.972 4.174 2.941 1.00 0.00 N ATOM 1370 NH2 ARG 2 34 1.241 3.348 1.636 1.00 0.00 N ATOM 0 H ARG 2 34 5.918 3.611 -3.570 1.00 0.00 H new ATOM 0 HA ARG 2 34 6.726 1.577 -1.648 1.00 0.00 H new ATOM 0 HB2 ARG 2 34 7.006 3.322 -0.184 1.00 0.00 H new ATOM 0 HB3 ARG 2 34 7.133 4.238 -1.672 1.00 0.00 H new ATOM 0 HG2 ARG 2 34 5.487 5.518 -0.700 1.00 0.00 H new ATOM 0 HG3 ARG 2 34 4.429 4.299 -1.381 1.00 0.00 H new ATOM 0 HD2 ARG 2 34 5.371 3.267 1.131 1.00 0.00 H new ATOM 0 HD3 ARG 2 34 4.893 4.930 1.413 1.00 0.00 H new ATOM 0 HE ARG 2 34 2.962 3.340 -0.180 1.00 0.00 H new ATOM 0 HH11 ARG 2 34 3.944 4.468 3.036 1.00 0.00 H new ATOM 0 HH12 ARG 2 34 2.346 4.215 3.745 1.00 0.00 H new ATOM 0 HH21 ARG 2 34 0.895 3.013 0.737 1.00 0.00 H new ATOM 0 HH22 ARG 2 34 0.615 3.389 2.440 1.00 0.00 H new ATOM 1384 N GLY 2 35 3.660 2.430 -2.267 1.00 0.00 N ATOM 1385 CA GLY 2 35 2.263 2.124 -2.004 1.00 0.00 C ATOM 1386 C GLY 2 35 1.442 3.405 -1.849 1.00 0.00 C ATOM 1387 O GLY 2 35 0.375 3.393 -1.235 1.00 0.00 O ATOM 0 H GLY 2 35 3.823 2.996 -3.099 1.00 0.00 H new ATOM 0 HA2 GLY 2 35 1.858 1.525 -2.820 1.00 0.00 H new ATOM 0 HA3 GLY 2 35 2.183 1.524 -1.097 1.00 0.00 H new ATOM 1391 N CYS 2 36 1.968 4.480 -2.416 1.00 0.00 N ATOM 1392 CA CYS 2 36 1.296 5.767 -2.349 1.00 0.00 C ATOM 1393 C CYS 2 36 1.039 6.250 -3.778 1.00 0.00 C ATOM 1394 O CYS 2 36 1.637 5.742 -4.725 1.00 0.00 O ATOM 1395 CB CYS 2 36 2.102 6.784 -1.539 1.00 0.00 C ATOM 1396 SG CYS 2 36 2.399 6.317 0.204 1.00 0.00 S ATOM 0 H CYS 2 36 2.852 4.487 -2.924 1.00 0.00 H new ATOM 0 HA CYS 2 36 0.345 5.657 -1.827 1.00 0.00 H new ATOM 0 HB2 CYS 2 36 3.064 6.936 -2.028 1.00 0.00 H new ATOM 0 HB3 CYS 2 36 1.579 7.740 -1.560 1.00 0.00 H new ATOM 1401 N CYS 2 37 0.149 7.226 -3.888 1.00 0.00 N ATOM 1402 CA CYS 2 37 -0.195 7.782 -5.185 1.00 0.00 C ATOM 1403 C CYS 2 37 0.343 9.213 -5.252 1.00 0.00 C ATOM 1404 O CYS 2 37 0.147 9.997 -4.324 1.00 0.00 O ATOM 1405 CB CYS 2 37 -1.701 7.726 -5.444 1.00 0.00 C ATOM 1406 SG CYS 2 37 -2.179 7.753 -7.210 1.00 0.00 S ATOM 0 H CYS 2 37 -0.344 7.646 -3.100 1.00 0.00 H new ATOM 0 HA CYS 2 37 0.264 7.185 -5.973 1.00 0.00 H new ATOM 0 HB2 CYS 2 37 -2.100 6.820 -4.988 1.00 0.00 H new ATOM 0 HB3 CYS 2 37 -2.173 8.570 -4.942 1.00 0.00 H new ATOM 1411 N PHE 2 38 1.009 9.510 -6.358 1.00 0.00 N ATOM 1412 CA PHE 2 38 1.576 10.833 -6.557 1.00 0.00 C ATOM 1413 C PHE 2 38 0.642 11.709 -7.394 1.00 0.00 C ATOM 1414 O PHE 2 38 0.353 11.391 -8.546 1.00 0.00 O ATOM 1415 CB PHE 2 38 2.894 10.646 -7.312 1.00 0.00 C ATOM 1416 CG PHE 2 38 3.785 11.889 -7.325 1.00 0.00 C ATOM 1417 CD1 PHE 2 38 4.666 12.106 -6.312 1.00 0.00 C ATOM 1418 CD2 PHE 2 38 3.696 12.779 -8.351 1.00 0.00 C ATOM 1419 CE1 PHE 2 38 5.493 13.260 -6.324 1.00 0.00 C ATOM 1420 CE2 PHE 2 38 4.524 13.932 -8.363 1.00 0.00 C ATOM 1421 CZ PHE 2 38 5.405 14.149 -7.350 1.00 0.00 C ATOM 0 H PHE 2 38 1.169 8.857 -7.125 1.00 0.00 H new ATOM 0 HA PHE 2 38 1.725 11.323 -5.595 1.00 0.00 H new ATOM 0 HB2 PHE 2 38 3.445 9.821 -6.861 1.00 0.00 H new ATOM 0 HB3 PHE 2 38 2.674 10.358 -8.340 1.00 0.00 H new ATOM 0 HD1 PHE 2 38 4.737 11.400 -5.498 1.00 0.00 H new ATOM 0 HD2 PHE 2 38 2.996 12.608 -9.155 1.00 0.00 H new ATOM 0 HE1 PHE 2 38 6.192 13.432 -5.519 1.00 0.00 H new ATOM 0 HE2 PHE 2 38 4.454 14.638 -9.178 1.00 0.00 H new ATOM 0 HZ PHE 2 38 6.034 15.027 -7.360 1.00 0.00 H new ATOM 1431 N ASP 2 39 0.196 12.797 -6.782 1.00 0.00 N ATOM 1432 CA ASP 2 39 -0.699 13.721 -7.457 1.00 0.00 C ATOM 1433 C ASP 2 39 0.105 14.583 -8.433 1.00 0.00 C ATOM 1434 O ASP 2 39 0.174 14.279 -9.623 1.00 0.00 O ATOM 1435 CB ASP 2 39 -1.384 14.655 -6.457 1.00 0.00 C ATOM 1436 CG ASP 2 39 -1.684 16.059 -6.983 1.00 0.00 C ATOM 1437 OD1 ASP 2 39 -2.578 16.160 -7.851 1.00 0.00 O ATOM 1438 OD2 ASP 2 39 -1.013 17.000 -6.505 1.00 0.00 O ATOM 0 H ASP 2 39 0.438 13.059 -5.826 1.00 0.00 H new ATOM 0 HA ASP 2 39 -1.455 13.135 -7.980 1.00 0.00 H new ATOM 0 HB2 ASP 2 39 -2.319 14.196 -6.137 1.00 0.00 H new ATOM 0 HB3 ASP 2 39 -0.752 14.742 -5.573 1.00 0.00 H new ATOM 1443 N SER 2 40 0.693 15.640 -7.893 1.00 0.00 N ATOM 1444 CA SER 2 40 1.490 16.547 -8.701 1.00 0.00 C ATOM 1445 C SER 2 40 0.592 17.618 -9.324 1.00 0.00 C ATOM 1446 O SER 2 40 1.060 18.702 -9.670 1.00 0.00 O ATOM 1447 CB SER 2 40 2.251 15.790 -9.791 1.00 0.00 C ATOM 1448 OG SER 2 40 3.461 16.450 -10.154 1.00 0.00 O ATOM 0 H SER 2 40 0.633 15.889 -6.906 1.00 0.00 H new ATOM 0 HA SER 2 40 2.223 17.029 -8.054 1.00 0.00 H new ATOM 0 HB2 SER 2 40 2.478 14.783 -9.442 1.00 0.00 H new ATOM 0 HB3 SER 2 40 1.616 15.687 -10.671 1.00 0.00 H new ATOM 0 HG SER 2 40 3.918 15.935 -10.851 1.00 0.00 H new ATOM 1454 N ARG 2 41 -0.682 17.276 -9.451 1.00 0.00 N ATOM 1455 CA ARG 2 41 -1.649 18.194 -10.027 1.00 0.00 C ATOM 1456 C ARG 2 41 -1.837 19.408 -9.116 1.00 0.00 C ATOM 1457 O ARG 2 41 -1.895 20.541 -9.590 1.00 0.00 O ATOM 1458 CB ARG 2 41 -3.001 17.509 -10.238 1.00 0.00 C ATOM 1459 CG ARG 2 41 -2.818 16.092 -10.786 1.00 0.00 C ATOM 1460 CD ARG 2 41 -3.849 15.789 -11.875 1.00 0.00 C ATOM 1461 NE ARG 2 41 -3.405 16.362 -13.167 1.00 0.00 N ATOM 1462 CZ ARG 2 41 -2.516 15.779 -13.981 1.00 0.00 C ATOM 1463 NH1 ARG 2 41 -1.970 14.602 -13.646 1.00 0.00 N ATOM 1464 NH2 ARG 2 41 -2.173 16.372 -15.133 1.00 0.00 N ATOM 0 H ARG 2 41 -1.067 16.376 -9.165 1.00 0.00 H new ATOM 0 HA ARG 2 41 -1.263 18.518 -10.994 1.00 0.00 H new ATOM 0 HB2 ARG 2 41 -3.544 17.470 -9.294 1.00 0.00 H new ATOM 0 HB3 ARG 2 41 -3.606 18.095 -10.930 1.00 0.00 H new ATOM 0 HG2 ARG 2 41 -1.812 15.982 -11.191 1.00 0.00 H new ATOM 0 HG3 ARG 2 41 -2.916 15.369 -9.976 1.00 0.00 H new ATOM 0 HD2 ARG 2 41 -3.981 14.711 -11.972 1.00 0.00 H new ATOM 0 HD3 ARG 2 41 -4.817 16.205 -11.597 1.00 0.00 H new ATOM 0 HE ARG 2 41 -3.801 17.257 -13.454 1.00 0.00 H new ATOM 0 HH11 ARG 2 41 -2.232 14.149 -12.770 1.00 0.00 H new ATOM 0 HH12 ARG 2 41 -1.293 14.159 -14.267 1.00 0.00 H new ATOM 0 HH21 ARG 2 41 -2.589 17.267 -15.389 1.00 0.00 H new ATOM 0 HH22 ARG 2 41 -1.496 15.928 -15.753 1.00 0.00 H new ATOM 1478 N ILE 2 42 -1.928 19.130 -7.824 1.00 0.00 N ATOM 1479 CA ILE 2 42 -2.108 20.185 -6.842 1.00 0.00 C ATOM 1480 C ILE 2 42 -0.947 20.153 -5.845 1.00 0.00 C ATOM 1481 O ILE 2 42 -0.881 19.268 -4.993 1.00 0.00 O ATOM 1482 CB ILE 2 42 -3.486 20.076 -6.185 1.00 0.00 C ATOM 1483 CG1 ILE 2 42 -4.535 19.594 -7.188 1.00 0.00 C ATOM 1484 CG2 ILE 2 42 -3.886 21.399 -5.528 1.00 0.00 C ATOM 1485 CD1 ILE 2 42 -5.948 19.943 -6.715 1.00 0.00 C ATOM 0 H ILE 2 42 -1.880 18.189 -7.434 1.00 0.00 H new ATOM 0 HA ILE 2 42 -2.087 21.162 -7.325 1.00 0.00 H new ATOM 0 HB ILE 2 42 -3.429 19.328 -5.394 1.00 0.00 H new ATOM 0 HG12 ILE 2 42 -4.350 20.050 -8.160 1.00 0.00 H new ATOM 0 HG13 ILE 2 42 -4.448 18.516 -7.320 1.00 0.00 H new ATOM 0 HG21 ILE 2 42 -4.869 21.295 -5.069 1.00 0.00 H new ATOM 0 HG22 ILE 2 42 -3.154 21.662 -4.764 1.00 0.00 H new ATOM 0 HG23 ILE 2 42 -3.920 22.184 -6.283 1.00 0.00 H new ATOM 0 HD11 ILE 2 42 -6.674 19.589 -7.447 1.00 0.00 H new ATOM 0 HD12 ILE 2 42 -6.138 19.465 -5.754 1.00 0.00 H new ATOM 0 HD13 ILE 2 42 -6.039 21.024 -6.607 1.00 0.00 H new ATOM 1497 N PRO 2 43 -0.038 21.153 -5.989 1.00 0.00 N ATOM 1498 CA PRO 2 43 1.117 21.247 -5.112 1.00 0.00 C ATOM 1499 C PRO 2 43 0.715 21.766 -3.730 1.00 0.00 C ATOM 1500 O PRO 2 43 1.548 21.855 -2.830 1.00 0.00 O ATOM 1501 CB PRO 2 43 2.085 22.171 -5.833 1.00 0.00 C ATOM 1502 CG PRO 2 43 1.255 22.925 -6.859 1.00 0.00 C ATOM 1503 CD PRO 2 43 -0.084 22.218 -6.987 1.00 0.00 C ATOM 0 HA PRO 2 43 1.579 20.278 -4.920 1.00 0.00 H new ATOM 0 HB2 PRO 2 43 2.562 22.859 -5.135 1.00 0.00 H new ATOM 0 HB3 PRO 2 43 2.881 21.604 -6.315 1.00 0.00 H new ATOM 0 HG2 PRO 2 43 1.112 23.960 -6.548 1.00 0.00 H new ATOM 0 HG3 PRO 2 43 1.767 22.949 -7.821 1.00 0.00 H new ATOM 0 HD2 PRO 2 43 -0.912 22.901 -6.799 1.00 0.00 H new ATOM 0 HD3 PRO 2 43 -0.225 21.815 -7.990 1.00 0.00 H new ATOM 1511 N GLY 2 44 -0.563 22.093 -3.605 1.00 0.00 N ATOM 1512 CA GLY 2 44 -1.086 22.599 -2.348 1.00 0.00 C ATOM 1513 C GLY 2 44 -1.639 21.463 -1.485 1.00 0.00 C ATOM 1514 O GLY 2 44 -2.032 21.681 -0.340 1.00 0.00 O ATOM 0 H GLY 2 44 -1.251 22.017 -4.354 1.00 0.00 H new ATOM 0 HA2 GLY 2 44 -0.297 23.121 -1.806 1.00 0.00 H new ATOM 0 HA3 GLY 2 44 -1.873 23.327 -2.545 1.00 0.00 H new ATOM 1518 N VAL 2 45 -1.650 20.274 -2.068 1.00 0.00 N ATOM 1519 CA VAL 2 45 -2.148 19.101 -1.367 1.00 0.00 C ATOM 1520 C VAL 2 45 -1.041 18.046 -1.296 1.00 0.00 C ATOM 1521 O VAL 2 45 0.086 18.295 -1.723 1.00 0.00 O ATOM 1522 CB VAL 2 45 -3.420 18.588 -2.044 1.00 0.00 C ATOM 1523 CG1 VAL 2 45 -4.242 19.745 -2.616 1.00 0.00 C ATOM 1524 CG2 VAL 2 45 -3.089 17.561 -3.128 1.00 0.00 C ATOM 0 H VAL 2 45 -1.322 20.096 -3.018 1.00 0.00 H new ATOM 0 HA VAL 2 45 -2.421 19.355 -0.343 1.00 0.00 H new ATOM 0 HB VAL 2 45 -4.025 18.090 -1.286 1.00 0.00 H new ATOM 0 HG11 VAL 2 45 -5.141 19.353 -3.092 1.00 0.00 H new ATOM 0 HG12 VAL 2 45 -4.524 20.424 -1.811 1.00 0.00 H new ATOM 0 HG13 VAL 2 45 -3.647 20.284 -3.353 1.00 0.00 H new ATOM 0 HG21 VAL 2 45 -4.011 17.213 -3.593 1.00 0.00 H new ATOM 0 HG22 VAL 2 45 -2.453 18.022 -3.884 1.00 0.00 H new ATOM 0 HG23 VAL 2 45 -2.566 16.715 -2.681 1.00 0.00 H new ATOM 1534 N PRO 2 46 -1.411 16.862 -0.740 1.00 0.00 N ATOM 1535 CA PRO 2 46 -0.463 15.769 -0.608 1.00 0.00 C ATOM 1536 C PRO 2 46 -0.211 15.096 -1.959 1.00 0.00 C ATOM 1537 O PRO 2 46 -1.137 14.583 -2.584 1.00 0.00 O ATOM 1538 CB PRO 2 46 -1.083 14.832 0.415 1.00 0.00 C ATOM 1539 CG PRO 2 46 -2.558 15.194 0.472 1.00 0.00 C ATOM 1540 CD PRO 2 46 -2.737 16.533 -0.225 1.00 0.00 C ATOM 0 HA PRO 2 46 0.521 16.103 -0.278 1.00 0.00 H new ATOM 0 HB2 PRO 2 46 -0.947 13.791 0.123 1.00 0.00 H new ATOM 0 HB3 PRO 2 46 -0.613 14.953 1.391 1.00 0.00 H new ATOM 0 HG2 PRO 2 46 -3.159 14.426 -0.016 1.00 0.00 H new ATOM 0 HG3 PRO 2 46 -2.897 15.254 1.506 1.00 0.00 H new ATOM 0 HD2 PRO 2 46 -3.469 16.466 -1.030 1.00 0.00 H new ATOM 0 HD3 PRO 2 46 -3.093 17.296 0.467 1.00 0.00 H new ATOM 1548 N TRP 2 47 1.049 15.119 -2.370 1.00 0.00 N ATOM 1549 CA TRP 2 47 1.435 14.518 -3.634 1.00 0.00 C ATOM 1550 C TRP 2 47 1.871 13.077 -3.360 1.00 0.00 C ATOM 1551 O TRP 2 47 2.697 12.526 -4.086 1.00 0.00 O ATOM 1552 CB TRP 2 47 2.517 15.347 -4.329 1.00 0.00 C ATOM 1553 CG TRP 2 47 2.696 16.751 -3.745 1.00 0.00 C ATOM 1554 CD1 TRP 2 47 1.921 17.827 -3.932 1.00 0.00 C ATOM 1555 CD2 TRP 2 47 3.754 17.188 -2.865 1.00 0.00 C ATOM 1556 NE1 TRP 2 47 2.399 18.921 -3.240 1.00 0.00 N ATOM 1557 CE2 TRP 2 47 3.549 18.520 -2.572 1.00 0.00 C ATOM 1558 CE3 TRP 2 47 4.848 16.481 -2.336 1.00 0.00 C ATOM 1559 CZ2 TRP 2 47 4.397 19.261 -1.739 1.00 0.00 C ATOM 1560 CZ3 TRP 2 47 5.686 17.234 -1.506 1.00 0.00 C ATOM 1561 CH2 TRP 2 47 5.494 18.577 -1.200 1.00 0.00 C ATOM 0 H TRP 2 47 1.815 15.545 -1.849 1.00 0.00 H new ATOM 0 HA TRP 2 47 0.592 14.502 -4.325 1.00 0.00 H new ATOM 0 HB2 TRP 2 47 3.466 14.814 -4.265 1.00 0.00 H new ATOM 0 HB3 TRP 2 47 2.271 15.433 -5.387 1.00 0.00 H new ATOM 0 HD1 TRP 2 47 1.033 17.837 -4.547 1.00 0.00 H new ATOM 0 HE1 TRP 2 47 1.984 19.853 -3.222 1.00 0.00 H new ATOM 0 HE3 TRP 2 47 5.028 15.438 -2.553 1.00 0.00 H new ATOM 0 HZ2 TRP 2 47 4.215 20.304 -1.524 1.00 0.00 H new ATOM 0 HZ3 TRP 2 47 6.542 16.738 -1.073 1.00 0.00 H new ATOM 0 HH2 TRP 2 47 6.187 19.090 -0.550 1.00 0.00 H new ATOM 1572 N CYS 2 48 1.296 12.509 -2.310 1.00 0.00 N ATOM 1573 CA CYS 2 48 1.614 11.143 -1.931 1.00 0.00 C ATOM 1574 C CYS 2 48 0.576 10.674 -0.909 1.00 0.00 C ATOM 1575 O CYS 2 48 0.635 11.053 0.260 1.00 0.00 O ATOM 1576 CB CYS 2 48 3.041 11.024 -1.391 1.00 0.00 C ATOM 1577 SG CYS 2 48 3.670 9.311 -1.257 1.00 0.00 S ATOM 0 H CYS 2 48 0.612 12.970 -1.710 1.00 0.00 H new ATOM 0 HA CYS 2 48 1.573 10.500 -2.810 1.00 0.00 H new ATOM 0 HB2 CYS 2 48 3.708 11.592 -2.040 1.00 0.00 H new ATOM 0 HB3 CYS 2 48 3.082 11.489 -0.406 1.00 0.00 H new ATOM 1582 N PHE 2 49 -0.350 9.856 -1.387 1.00 0.00 N ATOM 1583 CA PHE 2 49 -1.400 9.332 -0.530 1.00 0.00 C ATOM 1584 C PHE 2 49 -1.677 7.859 -0.841 1.00 0.00 C ATOM 1585 O PHE 2 49 -0.915 7.220 -1.563 1.00 0.00 O ATOM 1586 CB PHE 2 49 -2.661 10.148 -0.816 1.00 0.00 C ATOM 1587 CG PHE 2 49 -2.702 10.759 -2.219 1.00 0.00 C ATOM 1588 CD1 PHE 2 49 -1.805 11.721 -2.568 1.00 0.00 C ATOM 1589 CD2 PHE 2 49 -3.635 10.342 -3.115 1.00 0.00 C ATOM 1590 CE1 PHE 2 49 -1.843 12.287 -3.869 1.00 0.00 C ATOM 1591 CE2 PHE 2 49 -3.672 10.909 -4.417 1.00 0.00 C ATOM 1592 CZ PHE 2 49 -2.776 11.871 -4.766 1.00 0.00 C ATOM 0 H PHE 2 49 -0.395 9.543 -2.357 1.00 0.00 H new ATOM 0 HA PHE 2 49 -1.098 9.404 0.515 1.00 0.00 H new ATOM 0 HB2 PHE 2 49 -3.533 9.508 -0.684 1.00 0.00 H new ATOM 0 HB3 PHE 2 49 -2.738 10.948 -0.080 1.00 0.00 H new ATOM 0 HD1 PHE 2 49 -1.065 12.054 -1.855 1.00 0.00 H new ATOM 0 HD2 PHE 2 49 -4.348 9.580 -2.837 1.00 0.00 H new ATOM 0 HE1 PHE 2 49 -1.130 13.049 -4.147 1.00 0.00 H new ATOM 0 HE2 PHE 2 49 -4.412 10.576 -5.130 1.00 0.00 H new ATOM 0 HZ PHE 2 49 -2.806 12.304 -5.755 1.00 0.00 H new ATOM 1602 N LYS 2 50 -2.771 7.365 -0.280 1.00 0.00 N ATOM 1603 CA LYS 2 50 -3.159 5.981 -0.489 1.00 0.00 C ATOM 1604 C LYS 2 50 -4.573 5.934 -1.071 1.00 0.00 C ATOM 1605 O LYS 2 50 -5.508 5.489 -0.406 1.00 0.00 O ATOM 1606 CB LYS 2 50 -3.000 5.180 0.804 1.00 0.00 C ATOM 1607 CG LYS 2 50 -3.353 6.031 2.025 1.00 0.00 C ATOM 1608 CD LYS 2 50 -2.098 6.645 2.647 1.00 0.00 C ATOM 1609 CE LYS 2 50 -1.147 5.558 3.149 1.00 0.00 C ATOM 1610 NZ LYS 2 50 -1.038 5.605 4.624 1.00 0.00 N ATOM 0 H LYS 2 50 -3.401 7.899 0.319 1.00 0.00 H new ATOM 0 HA LYS 2 50 -2.499 5.506 -1.215 1.00 0.00 H new ATOM 0 HB2 LYS 2 50 -3.643 4.300 0.772 1.00 0.00 H new ATOM 0 HB3 LYS 2 50 -1.974 4.822 0.890 1.00 0.00 H new ATOM 0 HG2 LYS 2 50 -4.043 6.823 1.734 1.00 0.00 H new ATOM 0 HG3 LYS 2 50 -3.866 5.417 2.765 1.00 0.00 H new ATOM 0 HD2 LYS 2 50 -1.589 7.266 1.910 1.00 0.00 H new ATOM 0 HD3 LYS 2 50 -2.379 7.297 3.474 1.00 0.00 H new ATOM 0 HE2 LYS 2 50 -1.508 4.578 2.836 1.00 0.00 H new ATOM 0 HE3 LYS 2 50 -0.162 5.693 2.701 1.00 0.00 H new ATOM 0 HZ1 LYS 2 50 -1.018 4.636 5.002 1.00 0.00 H new ATOM 0 HZ2 LYS 2 50 -0.163 6.099 4.892 1.00 0.00 H new ATOM 0 HZ3 LYS 2 50 -1.856 6.113 5.017 1.00 0.00 H new ATOM 1624 N PRO 2 51 -4.689 6.411 -2.339 1.00 0.00 N ATOM 1625 CA PRO 2 51 -5.973 6.428 -3.019 1.00 0.00 C ATOM 1626 C PRO 2 51 -6.370 5.022 -3.474 1.00 0.00 C ATOM 1627 O PRO 2 51 -6.869 4.226 -2.680 1.00 0.00 O ATOM 1628 CB PRO 2 51 -5.794 7.398 -4.175 1.00 0.00 C ATOM 1629 CG PRO 2 51 -4.293 7.532 -4.378 1.00 0.00 C ATOM 1630 CD PRO 2 51 -3.604 6.945 -3.157 1.00 0.00 C ATOM 0 HA PRO 2 51 -6.788 6.749 -2.371 1.00 0.00 H new ATOM 0 HB2 PRO 2 51 -6.278 7.024 -5.077 1.00 0.00 H new ATOM 0 HB3 PRO 2 51 -6.245 8.364 -3.948 1.00 0.00 H new ATOM 0 HG2 PRO 2 51 -3.982 7.007 -5.281 1.00 0.00 H new ATOM 0 HG3 PRO 2 51 -4.017 8.579 -4.506 1.00 0.00 H new ATOM 0 HD2 PRO 2 51 -2.899 6.163 -3.438 1.00 0.00 H new ATOM 0 HD3 PRO 2 51 -3.039 7.705 -2.618 1.00 0.00 H new ATOM 1638 N LEU 2 52 -6.135 4.760 -4.752 1.00 0.00 N ATOM 1639 CA LEU 2 52 -6.462 3.464 -5.322 1.00 0.00 C ATOM 1640 C LEU 2 52 -5.239 2.548 -5.233 1.00 0.00 C ATOM 1641 O LEU 2 52 -5.024 1.709 -6.106 1.00 0.00 O ATOM 1642 CB LEU 2 52 -7.007 3.627 -6.743 1.00 0.00 C ATOM 1643 CG LEU 2 52 -5.968 3.610 -7.866 1.00 0.00 C ATOM 1644 CD1 LEU 2 52 -6.307 2.543 -8.909 1.00 0.00 C ATOM 1645 CD2 LEU 2 52 -5.816 4.997 -8.493 1.00 0.00 C ATOM 0 H LEU 2 52 -5.722 5.423 -5.408 1.00 0.00 H new ATOM 0 HA LEU 2 52 -7.259 2.987 -4.752 1.00 0.00 H new ATOM 0 HB2 LEU 2 52 -7.726 2.830 -6.929 1.00 0.00 H new ATOM 0 HB3 LEU 2 52 -7.554 4.568 -6.795 1.00 0.00 H new ATOM 0 HG LEU 2 52 -5.003 3.344 -7.435 1.00 0.00 H new ATOM 0 HD11 LEU 2 52 -5.553 2.551 -9.696 1.00 0.00 H new ATOM 0 HD12 LEU 2 52 -6.324 1.562 -8.434 1.00 0.00 H new ATOM 0 HD13 LEU 2 52 -7.285 2.754 -9.341 1.00 0.00 H new ATOM 0 HD21 LEU 2 52 -5.072 4.957 -9.288 1.00 0.00 H new ATOM 0 HD22 LEU 2 52 -6.773 5.316 -8.907 1.00 0.00 H new ATOM 0 HD23 LEU 2 52 -5.495 5.708 -7.731 1.00 0.00 H new ATOM 1657 N GLN 2 53 -4.470 2.743 -4.173 1.00 0.00 N ATOM 1658 CA GLN 2 53 -3.274 1.946 -3.958 1.00 0.00 C ATOM 1659 C GLN 2 53 -3.607 0.456 -4.050 1.00 0.00 C ATOM 1660 O GLN 2 53 -2.730 -0.365 -4.314 1.00 0.00 O ATOM 1661 CB GLN 2 53 -2.625 2.281 -2.615 1.00 0.00 C ATOM 1662 CG GLN 2 53 -2.194 3.749 -2.565 1.00 0.00 C ATOM 1663 CD GLN 2 53 -1.345 4.113 -3.785 1.00 0.00 C ATOM 1664 OE1 GLN 2 53 -0.130 4.009 -3.781 1.00 0.00 O ATOM 1665 NE2 GLN 2 53 -2.051 4.545 -4.826 1.00 0.00 N ATOM 0 H GLN 2 53 -4.652 3.442 -3.453 1.00 0.00 H new ATOM 0 HA GLN 2 53 -2.555 2.187 -4.741 1.00 0.00 H new ATOM 0 HB2 GLN 2 53 -3.327 2.077 -1.807 1.00 0.00 H new ATOM 0 HB3 GLN 2 53 -1.759 1.638 -2.455 1.00 0.00 H new ATOM 0 HG2 GLN 2 53 -3.075 4.389 -2.527 1.00 0.00 H new ATOM 0 HG3 GLN 2 53 -1.626 3.934 -1.654 1.00 0.00 H new ATOM 0 HE21 GLN 2 53 -3.067 4.608 -4.762 1.00 0.00 H new ATOM 0 HE22 GLN 2 53 -1.576 4.813 -5.688 1.00 0.00 H new ATOM 1674 N GLU 2 54 -4.877 0.151 -3.826 1.00 0.00 N ATOM 1675 CA GLU 2 54 -5.336 -1.227 -3.880 1.00 0.00 C ATOM 1676 C GLU 2 54 -4.695 -1.955 -5.064 1.00 0.00 C ATOM 1677 O GLU 2 54 -4.601 -3.181 -5.065 1.00 0.00 O ATOM 1678 CB GLU 2 54 -6.863 -1.293 -3.958 1.00 0.00 C ATOM 1679 CG GLU 2 54 -7.358 -0.921 -5.357 1.00 0.00 C ATOM 1680 CD GLU 2 54 -7.716 -2.172 -6.163 1.00 0.00 C ATOM 1681 OE1 GLU 2 54 -6.884 -3.104 -6.164 1.00 0.00 O ATOM 1682 OE2 GLU 2 54 -8.815 -2.167 -6.759 1.00 0.00 O ATOM 0 H GLU 2 54 -5.602 0.834 -3.607 1.00 0.00 H new ATOM 0 HA GLU 2 54 -5.029 -1.728 -2.962 1.00 0.00 H new ATOM 0 HB2 GLU 2 54 -7.200 -2.298 -3.704 1.00 0.00 H new ATOM 0 HB3 GLU 2 54 -7.298 -0.616 -3.223 1.00 0.00 H new ATOM 0 HG2 GLU 2 54 -8.231 -0.273 -5.277 1.00 0.00 H new ATOM 0 HG3 GLU 2 54 -6.588 -0.355 -5.881 1.00 0.00 H new ATOM 1689 N ALA 2 55 -4.271 -1.168 -6.042 1.00 0.00 N ATOM 1690 CA ALA 2 55 -3.640 -1.722 -7.228 1.00 0.00 C ATOM 1691 C ALA 2 55 -2.798 -2.937 -6.832 1.00 0.00 C ATOM 1692 O ALA 2 55 -3.032 -4.042 -7.318 1.00 0.00 O ATOM 1693 CB ALA 2 55 -2.812 -0.638 -7.920 1.00 0.00 C ATOM 0 H ALA 2 55 -4.352 -0.151 -6.037 1.00 0.00 H new ATOM 0 HA ALA 2 55 -4.392 -2.061 -7.940 1.00 0.00 H new ATOM 0 HB1 ALA 2 55 -2.339 -1.054 -8.810 1.00 0.00 H new ATOM 0 HB2 ALA 2 55 -3.462 0.188 -8.207 1.00 0.00 H new ATOM 0 HB3 ALA 2 55 -2.044 -0.275 -7.237 1.00 0.00 H new ATOM 1699 N GLU 2 56 -1.836 -2.690 -5.956 1.00 0.00 N ATOM 1700 CA GLU 2 56 -0.958 -3.750 -5.490 1.00 0.00 C ATOM 1701 C GLU 2 56 -0.573 -3.515 -4.027 1.00 0.00 C ATOM 1702 O GLU 2 56 0.434 -4.041 -3.556 1.00 0.00 O ATOM 1703 CB GLU 2 56 0.286 -3.859 -6.374 1.00 0.00 C ATOM 1704 CG GLU 2 56 -0.043 -4.543 -7.701 1.00 0.00 C ATOM 1705 CD GLU 2 56 1.140 -4.461 -8.668 1.00 0.00 C ATOM 1706 OE1 GLU 2 56 2.271 -4.719 -8.203 1.00 0.00 O ATOM 1707 OE2 GLU 2 56 0.886 -4.144 -9.851 1.00 0.00 O ATOM 0 H GLU 2 56 -1.645 -1.771 -5.556 1.00 0.00 H new ATOM 0 HA GLU 2 56 -1.495 -4.696 -5.557 1.00 0.00 H new ATOM 0 HB2 GLU 2 56 0.690 -2.865 -6.564 1.00 0.00 H new ATOM 0 HB3 GLU 2 56 1.059 -4.423 -5.852 1.00 0.00 H new ATOM 0 HG2 GLU 2 56 -0.300 -5.587 -7.522 1.00 0.00 H new ATOM 0 HG3 GLU 2 56 -0.918 -4.072 -8.150 1.00 0.00 H new ATOM 1714 N CYS 2 57 -1.395 -2.727 -3.351 1.00 0.00 N ATOM 1715 CA CYS 2 57 -1.154 -2.416 -1.952 1.00 0.00 C ATOM 1716 C CYS 2 57 -2.031 -3.334 -1.099 1.00 0.00 C ATOM 1717 O CYS 2 57 -1.531 -4.035 -0.220 1.00 0.00 O ATOM 1718 CB CYS 2 57 -1.407 -0.939 -1.649 1.00 0.00 C ATOM 1719 SG CYS 2 57 0.010 -0.054 -0.903 1.00 0.00 S ATOM 0 H CYS 2 57 -2.230 -2.294 -3.746 1.00 0.00 H new ATOM 0 HA CYS 2 57 -0.105 -2.592 -1.712 1.00 0.00 H new ATOM 0 HB2 CYS 2 57 -1.685 -0.435 -2.575 1.00 0.00 H new ATOM 0 HB3 CYS 2 57 -2.261 -0.862 -0.975 1.00 0.00 H new ATOM 1724 N THR 2 58 -3.324 -3.299 -1.386 1.00 0.00 N ATOM 1725 CA THR 2 58 -4.276 -4.119 -0.656 1.00 0.00 C ATOM 1726 C THR 2 58 -4.106 -5.593 -1.028 1.00 0.00 C ATOM 1727 O THR 2 58 -4.130 -6.463 -0.159 1.00 0.00 O ATOM 1728 CB THR 2 58 -5.679 -3.578 -0.938 1.00 0.00 C ATOM 1729 OG1 THR 2 58 -6.499 -4.215 0.037 1.00 0.00 O ATOM 1730 CG2 THR 2 58 -6.238 -4.070 -2.274 1.00 0.00 C ATOM 0 H THR 2 58 -3.735 -2.715 -2.115 1.00 0.00 H new ATOM 0 HA THR 2 58 -4.102 -4.066 0.419 1.00 0.00 H new ATOM 0 HB THR 2 58 -5.656 -2.488 -0.934 1.00 0.00 H new ATOM 0 HG1 THR 2 58 -7.427 -3.920 -0.073 1.00 0.00 H new ATOM 0 HG21 THR 2 58 -7.235 -3.657 -2.425 1.00 0.00 H new ATOM 0 HG22 THR 2 58 -5.584 -3.746 -3.084 1.00 0.00 H new ATOM 0 HG23 THR 2 58 -6.293 -5.159 -2.267 1.00 0.00 H new ATOM 1738 N PHE 2 59 -3.938 -5.828 -2.321 1.00 0.00 N ATOM 1739 CA PHE 2 59 -3.765 -7.182 -2.819 1.00 0.00 C ATOM 1740 C PHE 2 59 -2.991 -8.040 -1.816 1.00 0.00 C ATOM 1741 O PHE 2 59 -2.793 -9.234 -2.038 1.00 0.00 O ATOM 1742 CB PHE 2 59 -2.959 -7.082 -4.116 1.00 0.00 C ATOM 1743 CG PHE 2 59 -3.650 -7.713 -5.328 1.00 0.00 C ATOM 1744 CD1 PHE 2 59 -4.907 -7.325 -5.671 1.00 0.00 C ATOM 1745 CD2 PHE 2 59 -3.005 -8.659 -6.060 1.00 0.00 C ATOM 1746 CE1 PHE 2 59 -5.548 -7.910 -6.796 1.00 0.00 C ATOM 1747 CE2 PHE 2 59 -3.646 -9.245 -7.185 1.00 0.00 C ATOM 1748 CZ PHE 2 59 -4.903 -8.857 -7.528 1.00 0.00 C ATOM 0 H PHE 2 59 -3.918 -5.104 -3.039 1.00 0.00 H new ATOM 0 HA PHE 2 59 -4.738 -7.647 -2.979 1.00 0.00 H new ATOM 0 HB2 PHE 2 59 -2.762 -6.031 -4.329 1.00 0.00 H new ATOM 0 HB3 PHE 2 59 -1.993 -7.564 -3.969 1.00 0.00 H new ATOM 0 HD1 PHE 2 59 -5.418 -6.573 -5.089 1.00 0.00 H new ATOM 0 HD2 PHE 2 59 -2.006 -8.965 -5.787 1.00 0.00 H new ATOM 0 HE1 PHE 2 59 -6.547 -7.603 -7.069 1.00 0.00 H new ATOM 0 HE2 PHE 2 59 -3.135 -9.998 -7.767 1.00 0.00 H new ATOM 0 HZ PHE 2 59 -5.390 -9.302 -8.383 1.00 0.00 H new TER 1758 PHE 2 59