USER MOD reduce.3.24.130724 H: found=0, std=0, add=551, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 547 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 NoAdj-H: A 52 HIS HD1 : A 52 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 64 ASN : amide:sc= -0.0619 K(o=-8.3,f=-10!) USER MOD Set 1.2: A 70 GLN : amide:sc= -8.28! C(o=-8.3!,f=-18!) USER MOD Set 2.1: A 43 HIS : no HD1:sc= 0.146 K(o=0.15,f=-1.2) USER MOD Set 2.2: A 48 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 25 SER OG : rot -82:sc= 0.488 USER MOD Set 3.2: A 38 SER OG : rot -120:sc= -1.39 USER MOD Set 4.1: A 1 ASN : amide:sc= 0 X(o=-0.2,f=-0.25) USER MOD Set 4.2: A 68 SER OG : rot 51:sc= -0.204 USER MOD Single : A 1 ASN N :NH3+ -125:sc= 0.00512 (180deg=-0.0361) USER MOD Single : A 2 TYR OH : rot 18:sc= -4.36 USER MOD Single : A 3 THR OG1 : rot -110:sc= -0.432 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.449 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot -147:sc= -2.2! USER MOD Single : A 33 SER OG : rot -150:sc= -0.639 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot -84:sc= 1.12 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 HIS :FLIP no HD1:sc= -3.04 F(o=-4.7,f=-3) USER MOD Single : A 59 MET CE :methyl 164:sc= -1.99 (180deg=-2.58!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 CYS SG : rot -8:sc= 1.08 USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 164:sc=-0.00448 (180deg=-0.118) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ -99:sc= -0.0126 (180deg=-0.916) USER MOD Single : A 76 THR OG1 : rot 60:sc= -0.859 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 4.870 5.318 -5.687 1.00 0.00 N ATOM 2 CA ASN A 1 4.093 4.164 -5.249 1.00 0.00 C ATOM 3 C ASN A 1 4.980 2.930 -5.118 1.00 0.00 C ATOM 4 O ASN A 1 5.930 2.751 -5.880 1.00 0.00 O ATOM 5 CB ASN A 1 2.955 3.886 -6.234 1.00 0.00 C ATOM 6 CG ASN A 1 1.951 5.021 -6.293 1.00 0.00 C ATOM 7 OD1 ASN A 1 1.407 5.438 -5.272 1.00 0.00 O ATOM 8 ND2 ASN A 1 1.704 5.529 -7.495 1.00 0.00 N ATOM 0 H1 ASN A 1 4.741 6.099 -5.013 1.00 0.00 H new ATOM 0 H2 ASN A 1 5.877 5.062 -5.732 1.00 0.00 H new ATOM 0 H3 ASN A 1 4.547 5.617 -6.629 1.00 0.00 H new ATOM 0 HA ASN A 1 3.670 4.391 -4.270 1.00 0.00 H new ATOM 0 HB2 ASN A 1 3.371 3.720 -7.228 1.00 0.00 H new ATOM 0 HB3 ASN A 1 2.444 2.967 -5.945 1.00 0.00 H new ATOM 0 HD21 ASN A 1 1.040 6.296 -7.598 1.00 0.00 H new ATOM 0 HD22 ASN A 1 2.179 5.152 -8.315 1.00 0.00 H new ATOM 15 N TYR A 2 4.663 2.082 -4.146 1.00 0.00 N ATOM 16 CA TYR A 2 5.432 0.864 -3.914 1.00 0.00 C ATOM 17 C TYR A 2 4.591 -0.375 -4.203 1.00 0.00 C ATOM 18 O TYR A 2 5.122 -1.456 -4.460 1.00 0.00 O ATOM 19 CB TYR A 2 5.939 0.825 -2.471 1.00 0.00 C ATOM 20 CG TYR A 2 5.955 2.179 -1.797 1.00 0.00 C ATOM 21 CD1 TYR A 2 6.399 3.308 -2.475 1.00 0.00 C ATOM 22 CD2 TYR A 2 5.528 2.328 -0.484 1.00 0.00 C ATOM 23 CE1 TYR A 2 6.416 4.546 -1.863 1.00 0.00 C ATOM 24 CE2 TYR A 2 5.540 3.563 0.135 1.00 0.00 C ATOM 25 CZ TYR A 2 5.985 4.669 -0.558 1.00 0.00 C ATOM 26 OH TYR A 2 6.001 5.901 0.055 1.00 0.00 O ATOM 0 H TYR A 2 3.880 2.215 -3.506 1.00 0.00 H new ATOM 0 HA TYR A 2 6.285 0.868 -4.593 1.00 0.00 H new ATOM 0 HB2 TYR A 2 5.311 0.148 -1.892 1.00 0.00 H new ATOM 0 HB3 TYR A 2 6.947 0.411 -2.460 1.00 0.00 H new ATOM 0 HD1 TYR A 2 6.736 3.216 -3.497 1.00 0.00 H new ATOM 0 HD2 TYR A 2 5.181 1.464 0.063 1.00 0.00 H new ATOM 0 HE1 TYR A 2 6.765 5.414 -2.403 1.00 0.00 H new ATOM 0 HE2 TYR A 2 5.203 3.662 1.156 1.00 0.00 H new ATOM 0 HH TYR A 2 6.062 6.604 -0.625 1.00 0.00 H new ATOM 36 N THR A 3 3.272 -0.211 -4.159 1.00 0.00 N ATOM 37 CA THR A 3 2.355 -1.315 -4.415 1.00 0.00 C ATOM 38 C THR A 3 1.548 -1.075 -5.685 1.00 0.00 C ATOM 39 O THR A 3 1.385 0.064 -6.122 1.00 0.00 O ATOM 40 CB THR A 3 1.386 -1.525 -3.236 1.00 0.00 C ATOM 41 OG1 THR A 3 0.033 -1.497 -3.704 1.00 0.00 O ATOM 42 CG2 THR A 3 1.584 -0.453 -2.175 1.00 0.00 C ATOM 0 H THR A 3 2.815 0.676 -3.948 1.00 0.00 H new ATOM 0 HA THR A 3 2.964 -2.210 -4.539 1.00 0.00 H new ATOM 0 HB THR A 3 1.596 -2.497 -2.790 1.00 0.00 H new ATOM 0 HG1 THR A 3 -0.407 -0.682 -3.384 1.00 0.00 H new ATOM 0 HG21 THR A 3 0.889 -0.622 -1.353 1.00 0.00 H new ATOM 0 HG22 THR A 3 2.607 -0.496 -1.800 1.00 0.00 H new ATOM 0 HG23 THR A 3 1.399 0.529 -2.611 1.00 0.00 H new ATOM 50 N GLU A 4 1.045 -2.157 -6.274 1.00 0.00 N ATOM 51 CA GLU A 4 0.255 -2.062 -7.496 1.00 0.00 C ATOM 52 C GLU A 4 -1.125 -2.683 -7.300 1.00 0.00 C ATOM 53 O GLU A 4 -1.248 -3.885 -7.067 1.00 0.00 O ATOM 54 CB GLU A 4 0.978 -2.754 -8.653 1.00 0.00 C ATOM 55 CG GLU A 4 0.051 -3.529 -9.574 1.00 0.00 C ATOM 56 CD GLU A 4 0.692 -3.850 -10.910 1.00 0.00 C ATOM 57 OE1 GLU A 4 1.090 -5.017 -11.111 1.00 0.00 O ATOM 58 OE2 GLU A 4 0.794 -2.937 -11.754 1.00 0.00 O ATOM 0 H GLU A 4 1.171 -3.107 -5.925 1.00 0.00 H new ATOM 0 HA GLU A 4 0.129 -1.006 -7.736 1.00 0.00 H new ATOM 0 HB2 GLU A 4 1.513 -2.004 -9.236 1.00 0.00 H new ATOM 0 HB3 GLU A 4 1.726 -3.435 -8.247 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -0.248 -4.457 -9.086 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -0.857 -2.950 -9.741 1.00 0.00 H new ATOM 65 N GLU A 5 -2.160 -1.854 -7.396 1.00 0.00 N ATOM 66 CA GLU A 5 -3.531 -2.321 -7.229 1.00 0.00 C ATOM 67 C GLU A 5 -3.705 -3.719 -7.817 1.00 0.00 C ATOM 68 O GLU A 5 -3.086 -4.062 -8.825 1.00 0.00 O ATOM 69 CB GLU A 5 -4.509 -1.351 -7.894 1.00 0.00 C ATOM 70 CG GLU A 5 -5.961 -1.597 -7.518 1.00 0.00 C ATOM 71 CD GLU A 5 -6.843 -1.842 -8.726 1.00 0.00 C ATOM 72 OE1 GLU A 5 -6.710 -2.916 -9.348 1.00 0.00 O ATOM 73 OE2 GLU A 5 -7.666 -0.960 -9.050 1.00 0.00 O ATOM 0 H GLU A 5 -2.075 -0.856 -7.589 1.00 0.00 H new ATOM 0 HA GLU A 5 -3.745 -2.365 -6.161 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -4.239 -0.331 -7.620 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -4.405 -1.428 -8.976 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -6.019 -2.457 -6.850 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -6.340 -0.738 -6.965 1.00 0.00 H new ATOM 80 N LEU A 6 -4.551 -4.521 -7.180 1.00 0.00 N ATOM 81 CA LEU A 6 -4.807 -5.882 -7.639 1.00 0.00 C ATOM 82 C LEU A 6 -6.242 -6.028 -8.134 1.00 0.00 C ATOM 83 O LEU A 6 -7.194 -5.859 -7.372 1.00 0.00 O ATOM 84 CB LEU A 6 -4.541 -6.880 -6.511 1.00 0.00 C ATOM 85 CG LEU A 6 -3.075 -7.088 -6.131 1.00 0.00 C ATOM 86 CD1 LEU A 6 -2.890 -8.422 -5.425 1.00 0.00 C ATOM 87 CD2 LEU A 6 -2.188 -7.010 -7.366 1.00 0.00 C ATOM 0 H LEU A 6 -5.071 -4.253 -6.345 1.00 0.00 H new ATOM 0 HA LEU A 6 -4.132 -6.093 -8.469 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -5.082 -6.548 -5.625 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -4.961 -7.844 -6.799 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.782 -6.293 -5.445 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.840 -8.552 -5.162 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.496 -8.441 -4.519 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -3.201 -9.230 -6.087 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -1.148 -7.160 -7.077 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.483 -7.783 -8.075 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.297 -6.030 -7.831 1.00 0.00 H new ATOM 99 N LYS A 7 -6.391 -6.346 -9.416 1.00 0.00 N ATOM 100 CA LYS A 7 -7.709 -6.519 -10.014 1.00 0.00 C ATOM 101 C LYS A 7 -8.629 -7.305 -9.085 1.00 0.00 C ATOM 102 O LYS A 7 -9.852 -7.204 -9.175 1.00 0.00 O ATOM 103 CB LYS A 7 -7.591 -7.238 -11.360 1.00 0.00 C ATOM 104 CG LYS A 7 -7.200 -6.322 -12.507 1.00 0.00 C ATOM 105 CD LYS A 7 -5.924 -5.557 -12.199 1.00 0.00 C ATOM 106 CE LYS A 7 -5.490 -4.700 -13.379 1.00 0.00 C ATOM 107 NZ LYS A 7 -4.170 -5.130 -13.920 1.00 0.00 N ATOM 0 H LYS A 7 -5.614 -6.489 -10.061 1.00 0.00 H new ATOM 0 HA LYS A 7 -8.140 -5.531 -10.173 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -6.851 -8.034 -11.274 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -8.544 -7.712 -11.594 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -7.062 -6.911 -13.414 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -8.009 -5.618 -12.704 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -6.080 -4.924 -11.326 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -5.130 -6.259 -11.946 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -6.242 -4.758 -14.166 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -5.433 -3.657 -13.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -3.909 -4.522 -14.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -3.447 -5.051 -13.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -4.231 -6.118 -14.239 1.00 0.00 H new ATOM 121 N VAL A 8 -8.032 -8.088 -8.192 1.00 0.00 N ATOM 122 CA VAL A 8 -8.798 -8.888 -7.245 1.00 0.00 C ATOM 123 C VAL A 8 -8.020 -9.103 -5.950 1.00 0.00 C ATOM 124 O VAL A 8 -6.790 -9.165 -5.939 1.00 0.00 O ATOM 125 CB VAL A 8 -9.169 -10.259 -7.839 1.00 0.00 C ATOM 126 CG1 VAL A 8 -10.674 -10.369 -8.032 1.00 0.00 C ATOM 127 CG2 VAL A 8 -8.438 -10.484 -9.155 1.00 0.00 C ATOM 0 H VAL A 8 -7.020 -8.185 -8.105 1.00 0.00 H new ATOM 0 HA VAL A 8 -9.711 -8.333 -7.030 1.00 0.00 H new ATOM 0 HB VAL A 8 -8.859 -11.034 -7.139 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -10.917 -11.345 -8.453 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -11.174 -10.254 -7.070 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -11.012 -9.587 -8.712 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -8.712 -11.458 -9.561 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -8.716 -9.704 -9.864 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -7.362 -10.452 -8.984 1.00 0.00 H new ATOM 137 N PRO A 9 -8.752 -9.218 -4.832 1.00 0.00 N ATOM 138 CA PRO A 9 -8.151 -9.428 -3.512 1.00 0.00 C ATOM 139 C PRO A 9 -7.535 -10.816 -3.369 1.00 0.00 C ATOM 140 O PRO A 9 -8.176 -11.835 -3.623 1.00 0.00 O ATOM 141 CB PRO A 9 -9.335 -9.269 -2.555 1.00 0.00 C ATOM 142 CG PRO A 9 -10.533 -9.609 -3.373 1.00 0.00 C ATOM 143 CD PRO A 9 -10.222 -9.154 -4.772 1.00 0.00 C ATOM 0 HA PRO A 9 -7.333 -8.733 -3.321 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -9.241 -9.933 -1.696 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -9.396 -8.252 -2.167 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -10.732 -10.680 -3.346 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -11.422 -9.110 -2.989 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -10.683 -9.802 -5.517 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -10.588 -8.144 -4.957 1.00 0.00 H new ATOM 151 N PRO A 10 -6.261 -10.858 -2.954 1.00 0.00 N ATOM 152 CA PRO A 10 -5.529 -12.115 -2.767 1.00 0.00 C ATOM 153 C PRO A 10 -6.046 -12.915 -1.577 1.00 0.00 C ATOM 154 O PRO A 10 -7.141 -12.661 -1.074 1.00 0.00 O ATOM 155 CB PRO A 10 -4.090 -11.655 -2.518 1.00 0.00 C ATOM 156 CG PRO A 10 -4.223 -10.276 -1.970 1.00 0.00 C ATOM 157 CD PRO A 10 -5.435 -9.681 -2.633 1.00 0.00 C ATOM 0 HA PRO A 10 -5.636 -12.780 -3.624 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -3.580 -12.313 -1.815 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -3.508 -11.661 -3.439 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -4.342 -10.297 -0.887 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -3.332 -9.684 -2.182 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -5.958 -8.992 -1.970 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -5.168 -9.121 -3.529 1.00 0.00 H new ATOM 165 N ASP A 11 -5.254 -13.882 -1.130 1.00 0.00 N ATOM 166 CA ASP A 11 -5.630 -14.719 0.004 1.00 0.00 C ATOM 167 C ASP A 11 -4.544 -14.705 1.075 1.00 0.00 C ATOM 168 O ASP A 11 -4.113 -15.756 1.548 1.00 0.00 O ATOM 169 CB ASP A 11 -5.890 -16.154 -0.458 1.00 0.00 C ATOM 170 CG ASP A 11 -7.263 -16.322 -1.079 1.00 0.00 C ATOM 171 OD1 ASP A 11 -7.382 -17.084 -2.062 1.00 0.00 O ATOM 172 OD2 ASP A 11 -8.221 -15.692 -0.582 1.00 0.00 O ATOM 0 H ASP A 11 -4.346 -14.107 -1.536 1.00 0.00 H new ATOM 0 HA ASP A 11 -6.545 -14.313 0.436 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -5.129 -16.443 -1.183 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -5.794 -16.829 0.392 1.00 0.00 H new ATOM 177 N GLU A 12 -4.106 -13.508 1.450 1.00 0.00 N ATOM 178 CA GLU A 12 -3.068 -13.359 2.465 1.00 0.00 C ATOM 179 C GLU A 12 -3.671 -12.936 3.801 1.00 0.00 C ATOM 180 O GLU A 12 -3.126 -13.238 4.863 1.00 0.00 O ATOM 181 CB GLU A 12 -2.029 -12.331 2.014 1.00 0.00 C ATOM 182 CG GLU A 12 -0.597 -12.743 2.312 1.00 0.00 C ATOM 183 CD GLU A 12 0.019 -13.560 1.192 1.00 0.00 C ATOM 184 OE1 GLU A 12 0.561 -12.954 0.244 1.00 0.00 O ATOM 185 OE2 GLU A 12 -0.042 -14.805 1.264 1.00 0.00 O ATOM 0 H GLU A 12 -4.452 -12.628 1.068 1.00 0.00 H new ATOM 0 HA GLU A 12 -2.581 -14.325 2.596 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -2.135 -12.166 0.942 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -2.234 -11.380 2.505 1.00 0.00 H new ATOM 0 HG2 GLU A 12 0.006 -11.851 2.481 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -0.574 -13.323 3.235 1.00 0.00 H new ATOM 192 N ASP A 13 -4.798 -12.236 3.741 1.00 0.00 N ATOM 193 CA ASP A 13 -5.477 -11.772 4.946 1.00 0.00 C ATOM 194 C ASP A 13 -4.741 -10.585 5.560 1.00 0.00 C ATOM 195 O ASP A 13 -3.537 -10.648 5.808 1.00 0.00 O ATOM 196 CB ASP A 13 -5.582 -12.906 5.966 1.00 0.00 C ATOM 197 CG ASP A 13 -4.761 -12.640 7.214 1.00 0.00 C ATOM 198 OD1 ASP A 13 -3.553 -12.957 7.209 1.00 0.00 O ATOM 199 OD2 ASP A 13 -5.328 -12.116 8.195 1.00 0.00 O ATOM 0 H ASP A 13 -5.262 -11.977 2.870 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.481 -11.450 4.668 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -6.627 -13.045 6.244 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -5.248 -13.836 5.506 1.00 0.00 H new ATOM 204 N CYS A 14 -5.473 -9.503 5.802 1.00 0.00 N ATOM 205 CA CYS A 14 -4.891 -8.300 6.386 1.00 0.00 C ATOM 206 C CYS A 14 -4.125 -8.631 7.663 1.00 0.00 C ATOM 207 O CYS A 14 -4.523 -9.512 8.427 1.00 0.00 O ATOM 208 CB CYS A 14 -5.984 -7.273 6.685 1.00 0.00 C ATOM 209 SG CYS A 14 -5.363 -5.705 7.373 1.00 0.00 S ATOM 0 H CYS A 14 -6.471 -9.434 5.603 1.00 0.00 H new ATOM 0 HA CYS A 14 -4.192 -7.877 5.664 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -6.531 -7.063 5.766 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -6.695 -7.709 7.387 1.00 0.00 H new ATOM 214 N ILE A 15 -3.027 -7.919 7.889 1.00 0.00 N ATOM 215 CA ILE A 15 -2.207 -8.136 9.075 1.00 0.00 C ATOM 216 C ILE A 15 -2.477 -7.072 10.133 1.00 0.00 C ATOM 217 O ILE A 15 -2.163 -7.257 11.308 1.00 0.00 O ATOM 218 CB ILE A 15 -0.706 -8.131 8.730 1.00 0.00 C ATOM 219 CG1 ILE A 15 -0.509 -8.025 7.215 1.00 0.00 C ATOM 220 CG2 ILE A 15 -0.034 -9.384 9.271 1.00 0.00 C ATOM 221 CD1 ILE A 15 0.933 -8.176 6.782 1.00 0.00 C ATOM 0 H ILE A 15 -2.684 -7.187 7.267 1.00 0.00 H new ATOM 0 HA ILE A 15 -2.478 -9.115 9.471 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.243 -7.263 9.199 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.110 -8.791 6.724 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.883 -7.059 6.875 1.00 0.00 H new ATOM 0 HG21 ILE A 15 1.026 -9.366 9.019 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.149 -9.420 10.354 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -0.497 -10.266 8.828 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.998 -8.090 5.697 1.00 0.00 H new ATOM 0 HD12 ILE A 15 1.536 -7.394 7.245 1.00 0.00 H new ATOM 0 HD13 ILE A 15 1.306 -9.152 7.092 1.00 0.00 H new ATOM 233 N ILE A 16 -3.063 -5.957 9.706 1.00 0.00 N ATOM 234 CA ILE A 16 -3.378 -4.864 10.618 1.00 0.00 C ATOM 235 C ILE A 16 -4.630 -5.171 11.432 1.00 0.00 C ATOM 236 O ILE A 16 -4.558 -5.413 12.637 1.00 0.00 O ATOM 237 CB ILE A 16 -3.584 -3.540 9.859 1.00 0.00 C ATOM 238 CG1 ILE A 16 -2.495 -3.360 8.799 1.00 0.00 C ATOM 239 CG2 ILE A 16 -3.584 -2.368 10.830 1.00 0.00 C ATOM 240 CD1 ILE A 16 -1.583 -2.182 9.063 1.00 0.00 C ATOM 0 H ILE A 16 -3.329 -5.788 8.736 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.527 -4.759 11.291 1.00 0.00 H new ATOM 0 HB ILE A 16 -4.551 -3.572 9.358 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.895 -4.269 8.748 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -2.966 -3.233 7.824 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -3.731 -1.439 10.279 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -4.391 -2.493 11.551 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.630 -2.331 11.356 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -0.836 -2.116 8.272 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -2.171 -1.264 9.085 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -1.084 -2.316 10.023 1.00 0.00 H new ATOM 252 N CYS A 17 -5.780 -5.160 10.765 1.00 0.00 N ATOM 253 CA CYS A 17 -7.050 -5.438 11.424 1.00 0.00 C ATOM 254 C CYS A 17 -7.246 -6.940 11.617 1.00 0.00 C ATOM 255 O CYS A 17 -8.244 -7.377 12.188 1.00 0.00 O ATOM 256 CB CYS A 17 -8.210 -4.863 10.608 1.00 0.00 C ATOM 257 SG CYS A 17 -8.340 -5.541 8.922 1.00 0.00 S ATOM 0 H CYS A 17 -5.858 -4.961 9.768 1.00 0.00 H new ATOM 0 HA CYS A 17 -7.033 -4.962 12.404 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -9.143 -5.054 11.138 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -8.095 -3.781 10.545 1.00 0.00 H new ATOM 262 N MET A 18 -6.284 -7.722 11.138 1.00 0.00 N ATOM 263 CA MET A 18 -6.350 -9.174 11.260 1.00 0.00 C ATOM 264 C MET A 18 -7.634 -9.714 10.640 1.00 0.00 C ATOM 265 O MET A 18 -8.257 -10.627 11.180 1.00 0.00 O ATOM 266 CB MET A 18 -6.265 -9.589 12.730 1.00 0.00 C ATOM 267 CG MET A 18 -5.130 -8.917 13.486 1.00 0.00 C ATOM 268 SD MET A 18 -4.919 -9.577 15.151 1.00 0.00 S ATOM 269 CE MET A 18 -3.290 -10.309 15.021 1.00 0.00 C ATOM 0 H MET A 18 -5.451 -7.375 10.663 1.00 0.00 H new ATOM 0 HA MET A 18 -5.502 -9.597 10.722 1.00 0.00 H new ATOM 0 HB2 MET A 18 -7.209 -9.352 13.221 1.00 0.00 H new ATOM 0 HB3 MET A 18 -6.139 -10.670 12.787 1.00 0.00 H new ATOM 0 HG2 MET A 18 -4.202 -9.044 12.929 1.00 0.00 H new ATOM 0 HG3 MET A 18 -5.322 -7.846 13.545 1.00 0.00 H new ATOM 0 HE1 MET A 18 -3.017 -10.760 15.975 1.00 0.00 H new ATOM 0 HE2 MET A 18 -3.296 -11.075 14.246 1.00 0.00 H new ATOM 0 HE3 MET A 18 -2.564 -9.538 14.763 1.00 0.00 H new ATOM 279 N GLU A 19 -8.025 -9.143 9.505 1.00 0.00 N ATOM 280 CA GLU A 19 -9.237 -9.567 8.815 1.00 0.00 C ATOM 281 C GLU A 19 -8.908 -10.126 7.433 1.00 0.00 C ATOM 282 O GLU A 19 -7.769 -10.045 6.972 1.00 0.00 O ATOM 283 CB GLU A 19 -10.213 -8.395 8.683 1.00 0.00 C ATOM 284 CG GLU A 19 -10.614 -7.785 10.015 1.00 0.00 C ATOM 285 CD GLU A 19 -11.832 -8.455 10.621 1.00 0.00 C ATOM 286 OE1 GLU A 19 -12.484 -9.250 9.912 1.00 0.00 O ATOM 287 OE2 GLU A 19 -12.133 -8.184 11.802 1.00 0.00 O ATOM 0 H GLU A 19 -7.520 -8.386 9.044 1.00 0.00 H new ATOM 0 HA GLU A 19 -9.704 -10.355 9.406 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -9.759 -7.623 8.061 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -11.109 -8.736 8.164 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -9.779 -7.861 10.711 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -10.819 -6.723 9.877 1.00 0.00 H new ATOM 294 N LYS A 20 -9.914 -10.696 6.777 1.00 0.00 N ATOM 295 CA LYS A 20 -9.734 -11.268 5.448 1.00 0.00 C ATOM 296 C LYS A 20 -9.401 -10.184 4.428 1.00 0.00 C ATOM 297 O LYS A 20 -9.973 -9.094 4.457 1.00 0.00 O ATOM 298 CB LYS A 20 -10.998 -12.017 5.018 1.00 0.00 C ATOM 299 CG LYS A 20 -11.159 -13.371 5.687 1.00 0.00 C ATOM 300 CD LYS A 20 -10.891 -13.292 7.180 1.00 0.00 C ATOM 301 CE LYS A 20 -11.130 -14.632 7.861 1.00 0.00 C ATOM 302 NZ LYS A 20 -10.000 -15.008 8.756 1.00 0.00 N ATOM 0 H LYS A 20 -10.862 -10.774 7.145 1.00 0.00 H new ATOM 0 HA LYS A 20 -8.900 -11.968 5.492 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -11.869 -11.403 5.245 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -10.979 -12.155 3.937 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -12.169 -13.744 5.517 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -10.475 -14.086 5.231 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.862 -12.975 7.350 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -11.536 -12.535 7.627 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -12.052 -14.586 8.440 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -11.267 -15.405 7.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.200 -15.926 9.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -9.124 -15.077 8.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -9.885 -14.284 9.493 1.00 0.00 H new ATOM 316 N LEU A 21 -8.475 -10.490 3.527 1.00 0.00 N ATOM 317 CA LEU A 21 -8.067 -9.542 2.497 1.00 0.00 C ATOM 318 C LEU A 21 -9.168 -9.360 1.457 1.00 0.00 C ATOM 319 O LEU A 21 -9.013 -8.604 0.499 1.00 0.00 O ATOM 320 CB LEU A 21 -6.782 -10.019 1.818 1.00 0.00 C ATOM 321 CG LEU A 21 -5.478 -9.433 2.361 1.00 0.00 C ATOM 322 CD1 LEU A 21 -4.310 -9.807 1.464 1.00 0.00 C ATOM 323 CD2 LEU A 21 -5.588 -7.921 2.494 1.00 0.00 C ATOM 0 H LEU A 21 -7.992 -11.388 3.489 1.00 0.00 H new ATOM 0 HA LEU A 21 -7.883 -8.580 2.976 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.732 -11.105 1.902 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -6.848 -9.784 0.756 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.298 -9.853 3.351 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -3.391 -9.381 1.867 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.218 -10.892 1.420 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.482 -9.416 0.461 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.651 -7.521 2.882 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.793 -7.484 1.517 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -6.399 -7.674 3.179 1.00 0.00 H new ATOM 335 N SER A 22 -10.282 -10.059 1.655 1.00 0.00 N ATOM 336 CA SER A 22 -11.410 -9.976 0.733 1.00 0.00 C ATOM 337 C SER A 22 -12.582 -9.239 1.373 1.00 0.00 C ATOM 338 O SER A 22 -13.631 -9.060 0.755 1.00 0.00 O ATOM 339 CB SER A 22 -11.848 -11.377 0.303 1.00 0.00 C ATOM 340 OG SER A 22 -12.927 -11.840 1.097 1.00 0.00 O ATOM 0 H SER A 22 -10.428 -10.688 2.444 1.00 0.00 H new ATOM 0 HA SER A 22 -11.089 -9.417 -0.146 1.00 0.00 H new ATOM 0 HB2 SER A 22 -12.144 -11.363 -0.746 1.00 0.00 H new ATOM 0 HB3 SER A 22 -11.008 -12.066 0.388 1.00 0.00 H new ATOM 0 HG SER A 22 -13.190 -12.737 0.801 1.00 0.00 H new ATOM 346 N THR A 23 -12.394 -8.811 2.619 1.00 0.00 N ATOM 347 CA THR A 23 -13.434 -8.093 3.344 1.00 0.00 C ATOM 348 C THR A 23 -13.048 -6.635 3.561 1.00 0.00 C ATOM 349 O THR A 23 -13.388 -6.037 4.582 1.00 0.00 O ATOM 350 CB THR A 23 -13.717 -8.746 4.711 1.00 0.00 C ATOM 351 OG1 THR A 23 -13.750 -10.171 4.576 1.00 0.00 O ATOM 352 CG2 THR A 23 -15.040 -8.255 5.282 1.00 0.00 C ATOM 0 H THR A 23 -11.531 -8.950 3.145 1.00 0.00 H new ATOM 0 HA THR A 23 -14.335 -8.139 2.732 1.00 0.00 H new ATOM 0 HB THR A 23 -12.917 -8.465 5.396 1.00 0.00 H new ATOM 0 HG1 THR A 23 -13.929 -10.578 5.449 1.00 0.00 H new ATOM 0 HG21 THR A 23 -15.218 -8.730 6.247 1.00 0.00 H new ATOM 0 HG22 THR A 23 -15.001 -7.173 5.411 1.00 0.00 H new ATOM 0 HG23 THR A 23 -15.849 -8.510 4.597 1.00 0.00 H new ATOM 360 N ALA A 24 -12.336 -6.067 2.593 1.00 0.00 N ATOM 361 CA ALA A 24 -11.906 -4.676 2.677 1.00 0.00 C ATOM 362 C ALA A 24 -11.157 -4.411 3.979 1.00 0.00 C ATOM 363 O ALA A 24 -10.977 -5.312 4.797 1.00 0.00 O ATOM 364 CB ALA A 24 -13.103 -3.745 2.555 1.00 0.00 C ATOM 0 H ALA A 24 -12.045 -6.548 1.742 1.00 0.00 H new ATOM 0 HA ALA A 24 -11.223 -4.482 1.850 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -12.767 -2.710 2.619 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -13.594 -3.908 1.596 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -13.806 -3.949 3.362 1.00 0.00 H new ATOM 370 N SER A 25 -10.723 -3.169 4.163 1.00 0.00 N ATOM 371 CA SER A 25 -9.989 -2.786 5.364 1.00 0.00 C ATOM 372 C SER A 25 -10.928 -2.674 6.561 1.00 0.00 C ATOM 373 O SER A 25 -12.063 -2.216 6.434 1.00 0.00 O ATOM 374 CB SER A 25 -9.265 -1.455 5.143 1.00 0.00 C ATOM 375 OG SER A 25 -9.723 -0.469 6.051 1.00 0.00 O ATOM 0 H SER A 25 -10.867 -2.410 3.496 1.00 0.00 H new ATOM 0 HA SER A 25 -9.252 -3.562 5.573 1.00 0.00 H new ATOM 0 HB2 SER A 25 -8.191 -1.597 5.266 1.00 0.00 H new ATOM 0 HB3 SER A 25 -9.426 -1.115 4.120 1.00 0.00 H new ATOM 0 HG SER A 25 -10.556 -0.076 5.715 1.00 0.00 H new ATOM 381 N GLY A 26 -10.444 -3.097 7.726 1.00 0.00 N ATOM 382 CA GLY A 26 -11.252 -3.037 8.930 1.00 0.00 C ATOM 383 C GLY A 26 -11.163 -1.691 9.622 1.00 0.00 C ATOM 384 O GLY A 26 -12.014 -1.349 10.442 1.00 0.00 O ATOM 0 H GLY A 26 -9.508 -3.480 7.857 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -12.292 -3.244 8.677 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -10.930 -3.818 9.619 1.00 0.00 H new ATOM 388 N TYR A 27 -10.128 -0.926 9.292 1.00 0.00 N ATOM 389 CA TYR A 27 -9.928 0.389 9.890 1.00 0.00 C ATOM 390 C TYR A 27 -10.770 1.444 9.180 1.00 0.00 C ATOM 391 O TYR A 27 -10.935 2.559 9.677 1.00 0.00 O ATOM 392 CB TYR A 27 -8.450 0.777 9.835 1.00 0.00 C ATOM 393 CG TYR A 27 -7.606 0.101 10.892 1.00 0.00 C ATOM 394 CD1 TYR A 27 -8.124 -0.927 11.670 1.00 0.00 C ATOM 395 CD2 TYR A 27 -6.290 0.490 11.112 1.00 0.00 C ATOM 396 CE1 TYR A 27 -7.357 -1.547 12.637 1.00 0.00 C ATOM 397 CE2 TYR A 27 -5.516 -0.126 12.076 1.00 0.00 C ATOM 398 CZ TYR A 27 -6.054 -1.144 12.836 1.00 0.00 C ATOM 399 OH TYR A 27 -5.286 -1.759 13.798 1.00 0.00 O ATOM 0 H TYR A 27 -9.415 -1.194 8.614 1.00 0.00 H new ATOM 0 HA TYR A 27 -10.245 0.339 10.932 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -8.054 0.527 8.851 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -8.362 1.858 9.948 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -9.144 -1.247 11.516 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -5.866 1.287 10.519 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -7.776 -2.343 13.234 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -4.495 0.188 12.234 1.00 0.00 H new ATOM 0 HH TYR A 27 -4.392 -1.357 13.809 1.00 0.00 H new ATOM 409 N SER A 28 -11.301 1.084 8.016 1.00 0.00 N ATOM 410 CA SER A 28 -12.123 2.000 7.235 1.00 0.00 C ATOM 411 C SER A 28 -12.989 2.865 8.147 1.00 0.00 C ATOM 412 O SER A 28 -13.171 4.057 7.901 1.00 0.00 O ATOM 413 CB SER A 28 -13.010 1.220 6.262 1.00 0.00 C ATOM 414 OG SER A 28 -14.375 1.313 6.629 1.00 0.00 O ATOM 0 H SER A 28 -11.176 0.164 7.593 1.00 0.00 H new ATOM 0 HA SER A 28 -11.458 2.652 6.668 1.00 0.00 H new ATOM 0 HB2 SER A 28 -12.875 1.607 5.252 1.00 0.00 H new ATOM 0 HB3 SER A 28 -12.705 0.174 6.246 1.00 0.00 H new ATOM 0 HG SER A 28 -14.921 0.808 5.991 1.00 0.00 H new ATOM 420 N ASP A 29 -13.521 2.254 9.200 1.00 0.00 N ATOM 421 CA ASP A 29 -14.367 2.967 10.151 1.00 0.00 C ATOM 422 C ASP A 29 -13.601 4.112 10.807 1.00 0.00 C ATOM 423 O ASP A 29 -14.091 5.238 10.880 1.00 0.00 O ATOM 424 CB ASP A 29 -14.891 2.007 11.219 1.00 0.00 C ATOM 425 CG ASP A 29 -16.076 1.194 10.737 1.00 0.00 C ATOM 426 OD1 ASP A 29 -15.975 -0.050 10.719 1.00 0.00 O ATOM 427 OD2 ASP A 29 -17.105 1.804 10.378 1.00 0.00 O ATOM 0 H ASP A 29 -13.382 1.267 9.417 1.00 0.00 H new ATOM 0 HA ASP A 29 -15.213 3.386 9.606 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -14.090 1.332 11.521 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -15.180 2.575 12.103 1.00 0.00 H new ATOM 432 N VAL A 30 -12.397 3.813 11.286 1.00 0.00 N ATOM 433 CA VAL A 30 -11.564 4.816 11.938 1.00 0.00 C ATOM 434 C VAL A 30 -10.795 5.642 10.913 1.00 0.00 C ATOM 435 O VAL A 30 -11.099 6.815 10.690 1.00 0.00 O ATOM 436 CB VAL A 30 -10.562 4.168 12.913 1.00 0.00 C ATOM 437 CG1 VAL A 30 -9.651 5.221 13.522 1.00 0.00 C ATOM 438 CG2 VAL A 30 -11.300 3.396 13.997 1.00 0.00 C ATOM 0 H VAL A 30 -11.977 2.885 11.235 1.00 0.00 H new ATOM 0 HA VAL A 30 -12.235 5.468 12.498 1.00 0.00 H new ATOM 0 HB VAL A 30 -9.941 3.466 12.356 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -8.951 4.744 14.208 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -9.097 5.725 12.730 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -10.251 5.951 14.066 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -10.578 2.944 14.678 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -11.946 4.076 14.552 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -11.905 2.614 13.539 1.00 0.00 H new ATOM 448 N THR A 31 -9.797 5.024 10.290 1.00 0.00 N ATOM 449 CA THR A 31 -8.984 5.701 9.288 1.00 0.00 C ATOM 450 C THR A 31 -9.855 6.467 8.299 1.00 0.00 C ATOM 451 O THR A 31 -9.942 7.694 8.355 1.00 0.00 O ATOM 452 CB THR A 31 -8.103 4.704 8.512 1.00 0.00 C ATOM 453 OG1 THR A 31 -8.893 3.598 8.062 1.00 0.00 O ATOM 454 CG2 THR A 31 -6.963 4.197 9.383 1.00 0.00 C ATOM 0 H THR A 31 -9.532 4.054 10.462 1.00 0.00 H new ATOM 0 HA THR A 31 -8.343 6.402 9.823 1.00 0.00 H new ATOM 0 HB THR A 31 -7.680 5.222 7.651 1.00 0.00 H new ATOM 0 HG1 THR A 31 -8.346 2.785 8.059 1.00 0.00 H new ATOM 0 HG21 THR A 31 -6.355 3.494 8.813 1.00 0.00 H new ATOM 0 HG22 THR A 31 -6.346 5.038 9.700 1.00 0.00 H new ATOM 0 HG23 THR A 31 -7.371 3.695 10.260 1.00 0.00 H new ATOM 462 N ASP A 32 -10.500 5.738 7.396 1.00 0.00 N ATOM 463 CA ASP A 32 -11.367 6.349 6.395 1.00 0.00 C ATOM 464 C ASP A 32 -10.552 6.867 5.215 1.00 0.00 C ATOM 465 O ASP A 32 -10.960 6.734 4.060 1.00 0.00 O ATOM 466 CB ASP A 32 -12.170 7.493 7.017 1.00 0.00 C ATOM 467 CG ASP A 32 -13.507 7.699 6.332 1.00 0.00 C ATOM 468 OD1 ASP A 32 -14.151 6.691 5.970 1.00 0.00 O ATOM 469 OD2 ASP A 32 -13.910 8.868 6.160 1.00 0.00 O ATOM 0 H ASP A 32 -10.439 4.722 7.336 1.00 0.00 H new ATOM 0 HA ASP A 32 -12.056 5.587 6.031 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -12.335 7.285 8.074 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -11.590 8.414 6.960 1.00 0.00 H new ATOM 474 N SER A 33 -9.399 7.459 5.511 1.00 0.00 N ATOM 475 CA SER A 33 -8.530 8.002 4.474 1.00 0.00 C ATOM 476 C SER A 33 -9.347 8.531 3.300 1.00 0.00 C ATOM 477 O SER A 33 -10.472 9.001 3.474 1.00 0.00 O ATOM 478 CB SER A 33 -7.552 6.930 3.987 1.00 0.00 C ATOM 479 OG SER A 33 -6.975 6.232 5.077 1.00 0.00 O ATOM 0 H SER A 33 -9.045 7.575 6.461 1.00 0.00 H new ATOM 0 HA SER A 33 -7.967 8.831 4.904 1.00 0.00 H new ATOM 0 HB2 SER A 33 -8.072 6.228 3.336 1.00 0.00 H new ATOM 0 HB3 SER A 33 -6.766 7.394 3.391 1.00 0.00 H new ATOM 0 HG SER A 33 -6.076 5.928 4.832 1.00 0.00 H new ATOM 485 N LYS A 34 -8.775 8.451 2.104 1.00 0.00 N ATOM 486 CA LYS A 34 -9.449 8.921 0.899 1.00 0.00 C ATOM 487 C LYS A 34 -8.931 8.189 -0.335 1.00 0.00 C ATOM 488 O LYS A 34 -9.709 7.761 -1.187 1.00 0.00 O ATOM 489 CB LYS A 34 -9.250 10.428 0.733 1.00 0.00 C ATOM 490 CG LYS A 34 -10.520 11.173 0.363 1.00 0.00 C ATOM 491 CD LYS A 34 -11.153 11.835 1.576 1.00 0.00 C ATOM 492 CE LYS A 34 -11.270 13.339 1.392 1.00 0.00 C ATOM 493 NZ LYS A 34 -10.017 14.045 1.779 1.00 0.00 N ATOM 0 H LYS A 34 -7.845 8.065 1.943 1.00 0.00 H new ATOM 0 HA LYS A 34 -10.514 8.711 1.003 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -8.856 10.838 1.663 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -8.498 10.604 -0.037 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -10.293 11.929 -0.388 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -11.231 10.480 -0.087 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -12.142 11.411 1.749 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -10.555 11.621 2.462 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -11.505 13.560 0.351 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -12.099 13.715 1.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -10.138 15.068 1.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -9.806 13.855 2.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -9.231 13.705 1.189 1.00 0.00 H new ATOM 507 N ALA A 35 -7.613 8.047 -0.423 1.00 0.00 N ATOM 508 CA ALA A 35 -6.991 7.363 -1.550 1.00 0.00 C ATOM 509 C ALA A 35 -7.485 5.925 -1.660 1.00 0.00 C ATOM 510 O ALA A 35 -8.261 5.592 -2.556 1.00 0.00 O ATOM 511 CB ALA A 35 -5.476 7.395 -1.416 1.00 0.00 C ATOM 0 H ALA A 35 -6.955 8.397 0.273 1.00 0.00 H new ATOM 0 HA ALA A 35 -7.275 7.887 -2.463 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -5.025 6.881 -2.264 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -5.134 8.430 -1.396 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -5.182 6.898 -0.492 1.00 0.00 H new ATOM 517 N LEU A 36 -7.030 5.077 -0.745 1.00 0.00 N ATOM 518 CA LEU A 36 -7.425 3.673 -0.740 1.00 0.00 C ATOM 519 C LEU A 36 -8.936 3.533 -0.585 1.00 0.00 C ATOM 520 O LEU A 36 -9.547 2.631 -1.156 1.00 0.00 O ATOM 521 CB LEU A 36 -6.714 2.927 0.391 1.00 0.00 C ATOM 522 CG LEU A 36 -5.334 3.458 0.783 1.00 0.00 C ATOM 523 CD1 LEU A 36 -4.599 3.988 -0.439 1.00 0.00 C ATOM 524 CD2 LEU A 36 -5.462 4.542 1.842 1.00 0.00 C ATOM 0 H LEU A 36 -6.387 5.337 0.003 1.00 0.00 H new ATOM 0 HA LEU A 36 -7.134 3.236 -1.695 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -7.354 2.950 1.273 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.610 1.882 0.100 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.754 2.635 1.201 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.619 4.362 -0.141 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -4.475 3.185 -1.166 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -5.175 4.798 -0.887 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.471 4.908 2.109 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.060 5.365 1.450 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.947 4.131 2.727 1.00 0.00 H new ATOM 536 N GLY A 37 -9.532 4.433 0.189 1.00 0.00 N ATOM 537 CA GLY A 37 -10.967 4.395 0.403 1.00 0.00 C ATOM 538 C GLY A 37 -11.431 3.072 0.981 1.00 0.00 C ATOM 539 O GLY A 37 -12.626 2.779 0.997 1.00 0.00 O ATOM 0 H GLY A 37 -9.047 5.189 0.672 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -11.253 5.203 1.077 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.477 4.574 -0.543 1.00 0.00 H new ATOM 543 N SER A 38 -10.483 2.270 1.457 1.00 0.00 N ATOM 544 CA SER A 38 -10.801 0.969 2.034 1.00 0.00 C ATOM 545 C SER A 38 -11.381 0.034 0.977 1.00 0.00 C ATOM 546 O SER A 38 -12.389 -0.636 1.208 1.00 0.00 O ATOM 547 CB SER A 38 -11.791 1.128 3.189 1.00 0.00 C ATOM 548 OG SER A 38 -11.680 0.055 4.107 1.00 0.00 O ATOM 0 H SER A 38 -9.489 2.499 1.454 1.00 0.00 H new ATOM 0 HA SER A 38 -9.878 0.532 2.414 1.00 0.00 H new ATOM 0 HB2 SER A 38 -11.606 2.071 3.703 1.00 0.00 H new ATOM 0 HB3 SER A 38 -12.807 1.172 2.798 1.00 0.00 H new ATOM 0 HG SER A 38 -12.537 -0.416 4.165 1.00 0.00 H new ATOM 554 N LEU A 39 -10.738 -0.008 -0.185 1.00 0.00 N ATOM 555 CA LEU A 39 -11.187 -0.861 -1.279 1.00 0.00 C ATOM 556 C LEU A 39 -10.108 -0.989 -2.349 1.00 0.00 C ATOM 557 O LEU A 39 -10.378 -0.826 -3.539 1.00 0.00 O ATOM 558 CB LEU A 39 -12.470 -0.299 -1.896 1.00 0.00 C ATOM 559 CG LEU A 39 -12.315 0.983 -2.715 1.00 0.00 C ATOM 560 CD1 LEU A 39 -12.849 0.784 -4.125 1.00 0.00 C ATOM 561 CD2 LEU A 39 -13.026 2.142 -2.031 1.00 0.00 C ATOM 0 H LEU A 39 -9.903 0.540 -0.394 1.00 0.00 H new ATOM 0 HA LEU A 39 -11.389 -1.853 -0.874 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -12.907 -1.065 -2.537 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -13.183 -0.110 -1.093 1.00 0.00 H new ATOM 0 HG LEU A 39 -11.254 1.223 -2.782 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -12.730 1.707 -4.693 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -12.295 -0.017 -4.614 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -13.905 0.519 -4.080 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -12.905 3.046 -2.628 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -14.087 1.911 -1.933 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -12.596 2.300 -1.042 1.00 0.00 H new ATOM 573 N ALA A 40 -8.887 -1.283 -1.918 1.00 0.00 N ATOM 574 CA ALA A 40 -7.767 -1.437 -2.840 1.00 0.00 C ATOM 575 C ALA A 40 -6.684 -2.328 -2.243 1.00 0.00 C ATOM 576 O ALA A 40 -6.155 -2.045 -1.167 1.00 0.00 O ATOM 577 CB ALA A 40 -7.193 -0.076 -3.205 1.00 0.00 C ATOM 0 H ALA A 40 -8.647 -1.420 -0.936 1.00 0.00 H new ATOM 0 HA ALA A 40 -8.137 -1.917 -3.746 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.358 -0.206 -3.893 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.965 0.529 -3.681 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.844 0.426 -2.302 1.00 0.00 H new ATOM 583 N VAL A 41 -6.355 -3.407 -2.947 1.00 0.00 N ATOM 584 CA VAL A 41 -5.334 -4.339 -2.485 1.00 0.00 C ATOM 585 C VAL A 41 -4.123 -4.331 -3.413 1.00 0.00 C ATOM 586 O VAL A 41 -4.261 -4.452 -4.630 1.00 0.00 O ATOM 587 CB VAL A 41 -5.884 -5.774 -2.391 1.00 0.00 C ATOM 588 CG1 VAL A 41 -5.027 -6.616 -1.459 1.00 0.00 C ATOM 589 CG2 VAL A 41 -7.333 -5.758 -1.927 1.00 0.00 C ATOM 0 H VAL A 41 -6.781 -3.657 -3.839 1.00 0.00 H new ATOM 0 HA VAL A 41 -5.031 -4.009 -1.492 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.848 -6.224 -3.383 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -5.432 -7.627 -1.406 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.006 -6.654 -1.838 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -5.028 -6.172 -0.464 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -7.707 -6.780 -1.866 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -7.395 -5.289 -0.945 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -7.936 -5.193 -2.638 1.00 0.00 H new ATOM 599 N GLY A 42 -2.938 -4.188 -2.830 1.00 0.00 N ATOM 600 CA GLY A 42 -1.720 -4.167 -3.618 1.00 0.00 C ATOM 601 C GLY A 42 -0.487 -4.470 -2.791 1.00 0.00 C ATOM 602 O GLY A 42 -0.196 -3.771 -1.819 1.00 0.00 O ATOM 0 H GLY A 42 -2.799 -4.086 -1.825 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.800 -4.896 -4.424 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.609 -3.188 -4.083 1.00 0.00 H new ATOM 606 N HIS A 43 0.239 -5.515 -3.173 1.00 0.00 N ATOM 607 CA HIS A 43 1.447 -5.910 -2.457 1.00 0.00 C ATOM 608 C HIS A 43 2.544 -4.863 -2.626 1.00 0.00 C ATOM 609 O HIS A 43 2.641 -4.212 -3.666 1.00 0.00 O ATOM 610 CB HIS A 43 1.941 -7.268 -2.958 1.00 0.00 C ATOM 611 CG HIS A 43 2.170 -7.314 -4.438 1.00 0.00 C ATOM 612 ND1 HIS A 43 1.163 -7.564 -5.347 1.00 0.00 N ATOM 613 CD2 HIS A 43 3.298 -7.140 -5.165 1.00 0.00 C ATOM 614 CE1 HIS A 43 1.664 -7.541 -6.570 1.00 0.00 C ATOM 615 NE2 HIS A 43 2.957 -7.286 -6.487 1.00 0.00 N ATOM 0 H HIS A 43 0.012 -6.104 -3.974 1.00 0.00 H new ATOM 0 HA HIS A 43 1.203 -5.989 -1.398 1.00 0.00 H new ATOM 0 HB2 HIS A 43 2.871 -7.518 -2.447 1.00 0.00 H new ATOM 0 HB3 HIS A 43 1.213 -8.033 -2.687 1.00 0.00 H new ATOM 0 HD2 HIS A 43 4.283 -6.926 -4.777 1.00 0.00 H new ATOM 0 HE1 HIS A 43 1.110 -7.703 -7.483 1.00 0.00 H new ATOM 0 HE2 HIS A 43 3.598 -7.210 -7.277 1.00 0.00 H new ATOM 623 N LEU A 44 3.367 -4.706 -1.594 1.00 0.00 N ATOM 624 CA LEU A 44 4.458 -3.737 -1.628 1.00 0.00 C ATOM 625 C LEU A 44 5.615 -4.248 -2.480 1.00 0.00 C ATOM 626 O LEU A 44 6.453 -5.018 -2.012 1.00 0.00 O ATOM 627 CB LEU A 44 4.947 -3.442 -0.208 1.00 0.00 C ATOM 628 CG LEU A 44 4.946 -1.971 0.209 1.00 0.00 C ATOM 629 CD1 LEU A 44 4.675 -1.840 1.699 1.00 0.00 C ATOM 630 CD2 LEU A 44 6.270 -1.313 -0.154 1.00 0.00 C ATOM 0 H LEU A 44 3.300 -5.236 -0.725 1.00 0.00 H new ATOM 0 HA LEU A 44 4.081 -2.817 -2.076 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.324 -3.998 0.492 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.962 -3.827 -0.107 1.00 0.00 H new ATOM 0 HG LEU A 44 4.149 -1.460 -0.331 1.00 0.00 H new ATOM 0 HD11 LEU A 44 4.678 -0.786 1.978 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.703 -2.274 1.932 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.450 -2.365 2.257 1.00 0.00 H new ATOM 0 HD21 LEU A 44 6.252 -0.266 0.150 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.084 -1.826 0.359 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.424 -1.375 -1.231 1.00 0.00 H new ATOM 642 N THR A 45 5.655 -3.813 -3.736 1.00 0.00 N ATOM 643 CA THR A 45 6.709 -4.224 -4.654 1.00 0.00 C ATOM 644 C THR A 45 8.035 -4.404 -3.924 1.00 0.00 C ATOM 645 O THR A 45 8.848 -5.254 -4.290 1.00 0.00 O ATOM 646 CB THR A 45 6.897 -3.200 -5.789 1.00 0.00 C ATOM 647 OG1 THR A 45 7.382 -1.963 -5.257 1.00 0.00 O ATOM 648 CG2 THR A 45 5.587 -2.962 -6.526 1.00 0.00 C ATOM 0 H THR A 45 4.969 -3.176 -4.140 1.00 0.00 H new ATOM 0 HA THR A 45 6.400 -5.178 -5.082 1.00 0.00 H new ATOM 0 HB THR A 45 7.624 -3.602 -6.494 1.00 0.00 H new ATOM 0 HG1 THR A 45 6.628 -1.429 -4.931 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.745 -2.235 -7.323 1.00 0.00 H new ATOM 0 HG22 THR A 45 5.235 -3.900 -6.955 1.00 0.00 H new ATOM 0 HG23 THR A 45 4.842 -2.580 -5.829 1.00 0.00 H new ATOM 656 N LYS A 46 8.249 -3.601 -2.887 1.00 0.00 N ATOM 657 CA LYS A 46 9.475 -3.672 -2.103 1.00 0.00 C ATOM 658 C LYS A 46 9.800 -5.116 -1.731 1.00 0.00 C ATOM 659 O LYS A 46 10.819 -5.662 -2.154 1.00 0.00 O ATOM 660 CB LYS A 46 9.345 -2.826 -0.835 1.00 0.00 C ATOM 661 CG LYS A 46 10.650 -2.189 -0.392 1.00 0.00 C ATOM 662 CD LYS A 46 10.957 -0.933 -1.190 1.00 0.00 C ATOM 663 CE LYS A 46 11.726 0.083 -0.359 1.00 0.00 C ATOM 664 NZ LYS A 46 12.355 1.133 -1.207 1.00 0.00 N ATOM 0 H LYS A 46 7.587 -2.892 -2.570 1.00 0.00 H new ATOM 0 HA LYS A 46 10.289 -3.279 -2.713 1.00 0.00 H new ATOM 0 HB2 LYS A 46 8.607 -2.042 -1.006 1.00 0.00 H new ATOM 0 HB3 LYS A 46 8.964 -3.452 -0.028 1.00 0.00 H new ATOM 0 HG2 LYS A 46 10.594 -1.943 0.668 1.00 0.00 H new ATOM 0 HG3 LYS A 46 11.464 -2.904 -0.511 1.00 0.00 H new ATOM 0 HD2 LYS A 46 11.538 -1.196 -2.074 1.00 0.00 H new ATOM 0 HD3 LYS A 46 10.026 -0.487 -1.541 1.00 0.00 H new ATOM 0 HE2 LYS A 46 11.051 0.551 0.357 1.00 0.00 H new ATOM 0 HE3 LYS A 46 12.497 -0.428 0.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 12.869 1.805 -0.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 13.018 0.689 -1.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 11.617 1.639 -1.738 1.00 0.00 H new ATOM 678 N CYS A 47 8.926 -5.730 -0.940 1.00 0.00 N ATOM 679 CA CYS A 47 9.119 -7.110 -0.513 1.00 0.00 C ATOM 680 C CYS A 47 8.164 -8.046 -1.249 1.00 0.00 C ATOM 681 O CYS A 47 8.507 -9.190 -1.546 1.00 0.00 O ATOM 682 CB CYS A 47 8.907 -7.233 0.998 1.00 0.00 C ATOM 683 SG CYS A 47 7.306 -6.585 1.579 1.00 0.00 S ATOM 0 H CYS A 47 8.077 -5.293 -0.582 1.00 0.00 H new ATOM 0 HA CYS A 47 10.142 -7.399 -0.755 1.00 0.00 H new ATOM 0 HB2 CYS A 47 8.986 -8.283 1.281 1.00 0.00 H new ATOM 0 HB3 CYS A 47 9.709 -6.703 1.511 1.00 0.00 H new ATOM 688 N SER A 48 6.966 -7.550 -1.541 1.00 0.00 N ATOM 689 CA SER A 48 5.960 -8.342 -2.239 1.00 0.00 C ATOM 690 C SER A 48 5.205 -9.242 -1.266 1.00 0.00 C ATOM 691 O SER A 48 5.287 -10.468 -1.345 1.00 0.00 O ATOM 692 CB SER A 48 6.616 -9.190 -3.330 1.00 0.00 C ATOM 693 OG SER A 48 5.683 -9.533 -4.339 1.00 0.00 O ATOM 0 H SER A 48 6.668 -6.603 -1.305 1.00 0.00 H new ATOM 0 HA SER A 48 5.249 -7.656 -2.699 1.00 0.00 H new ATOM 0 HB2 SER A 48 7.448 -8.641 -3.771 1.00 0.00 H new ATOM 0 HB3 SER A 48 7.030 -10.097 -2.890 1.00 0.00 H new ATOM 0 HG SER A 48 6.127 -10.074 -5.025 1.00 0.00 H new ATOM 699 N HIS A 49 4.471 -8.624 -0.347 1.00 0.00 N ATOM 700 CA HIS A 49 3.699 -9.368 0.643 1.00 0.00 C ATOM 701 C HIS A 49 2.204 -9.258 0.361 1.00 0.00 C ATOM 702 O HIS A 49 1.674 -9.954 -0.505 1.00 0.00 O ATOM 703 CB HIS A 49 4.004 -8.852 2.050 1.00 0.00 C ATOM 704 CG HIS A 49 5.394 -9.161 2.514 1.00 0.00 C ATOM 705 ND1 HIS A 49 6.485 -9.573 1.827 1.00 0.00 N flip ATOM 706 CD2 HIS A 49 5.787 -9.061 3.832 1.00 0.00 C flip ATOM 707 CE1 HIS A 49 7.507 -9.711 2.733 1.00 0.00 C flip ATOM 708 NE2 HIS A 49 7.061 -9.396 3.935 1.00 0.00 N flip ATOM 0 H HIS A 49 4.394 -7.610 -0.267 1.00 0.00 H new ATOM 0 HA HIS A 49 3.986 -10.417 0.578 1.00 0.00 H new ATOM 0 HB2 HIS A 49 3.854 -7.773 2.072 1.00 0.00 H new ATOM 0 HB3 HIS A 49 3.291 -9.288 2.750 1.00 0.00 H new ATOM 0 HD2 HIS A 49 5.153 -8.757 4.652 1.00 0.00 H new ATOM 0 HE1 HIS A 49 8.513 -10.026 2.500 1.00 0.00 H new ATOM 0 HE2 HIS A 49 7.607 -9.409 4.797 1.00 0.00 H new ATOM 716 N ALA A 50 1.530 -8.381 1.098 1.00 0.00 N ATOM 717 CA ALA A 50 0.097 -8.180 0.926 1.00 0.00 C ATOM 718 C ALA A 50 -0.520 -7.537 2.163 1.00 0.00 C ATOM 719 O ALA A 50 -0.224 -7.929 3.291 1.00 0.00 O ATOM 720 CB ALA A 50 -0.589 -9.504 0.619 1.00 0.00 C ATOM 0 H ALA A 50 1.954 -7.798 1.820 1.00 0.00 H new ATOM 0 HA ALA A 50 -0.051 -7.503 0.085 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.659 -9.339 0.493 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.176 -9.924 -0.298 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.424 -10.199 1.442 1.00 0.00 H new ATOM 726 N PHE A 51 -1.378 -6.546 1.944 1.00 0.00 N ATOM 727 CA PHE A 51 -2.036 -5.847 3.042 1.00 0.00 C ATOM 728 C PHE A 51 -3.028 -4.815 2.513 1.00 0.00 C ATOM 729 O PHE A 51 -3.046 -4.509 1.320 1.00 0.00 O ATOM 730 CB PHE A 51 -0.997 -5.163 3.932 1.00 0.00 C ATOM 731 CG PHE A 51 0.409 -5.286 3.419 1.00 0.00 C ATOM 732 CD1 PHE A 51 0.794 -4.644 2.253 1.00 0.00 C ATOM 733 CD2 PHE A 51 1.346 -6.046 4.101 1.00 0.00 C ATOM 734 CE1 PHE A 51 2.087 -4.756 1.777 1.00 0.00 C ATOM 735 CE2 PHE A 51 2.640 -6.161 3.631 1.00 0.00 C ATOM 736 CZ PHE A 51 3.011 -5.516 2.467 1.00 0.00 C ATOM 0 H PHE A 51 -1.634 -6.209 1.016 1.00 0.00 H new ATOM 0 HA PHE A 51 -2.584 -6.582 3.632 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -1.250 -4.107 4.025 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -1.049 -5.593 4.932 1.00 0.00 H new ATOM 0 HD1 PHE A 51 0.075 -4.049 1.709 1.00 0.00 H new ATOM 0 HD2 PHE A 51 1.061 -6.554 5.010 1.00 0.00 H new ATOM 0 HE1 PHE A 51 2.374 -4.250 0.867 1.00 0.00 H new ATOM 0 HE2 PHE A 51 3.361 -6.755 4.173 1.00 0.00 H new ATOM 0 HZ PHE A 51 4.022 -5.606 2.097 1.00 0.00 H new ATOM 746 N HIS A 52 -3.852 -4.282 3.409 1.00 0.00 N ATOM 747 CA HIS A 52 -4.848 -3.284 3.034 1.00 0.00 C ATOM 748 C HIS A 52 -4.214 -1.901 2.921 1.00 0.00 C ATOM 749 O HIS A 52 -3.981 -1.230 3.928 1.00 0.00 O ATOM 750 CB HIS A 52 -5.983 -3.257 4.057 1.00 0.00 C ATOM 751 CG HIS A 52 -6.913 -4.425 3.952 1.00 0.00 C ATOM 752 ND1 HIS A 52 -7.539 -4.991 5.043 1.00 0.00 N ATOM 753 CD2 HIS A 52 -7.324 -5.136 2.875 1.00 0.00 C ATOM 754 CE1 HIS A 52 -8.294 -5.999 4.643 1.00 0.00 C ATOM 755 NE2 HIS A 52 -8.181 -6.108 3.331 1.00 0.00 N ATOM 0 H HIS A 52 -3.850 -4.524 4.400 1.00 0.00 H new ATOM 0 HA HIS A 52 -5.254 -3.558 2.060 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -5.556 -3.232 5.060 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -6.553 -2.337 3.930 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -7.032 -4.970 1.849 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -8.900 -6.627 5.280 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -8.653 -6.801 2.751 1.00 0.00 H new ATOM 763 N LEU A 53 -3.938 -1.480 1.692 1.00 0.00 N ATOM 764 CA LEU A 53 -3.331 -0.176 1.447 1.00 0.00 C ATOM 765 C LEU A 53 -3.856 0.862 2.433 1.00 0.00 C ATOM 766 O LEU A 53 -3.150 1.806 2.791 1.00 0.00 O ATOM 767 CB LEU A 53 -3.612 0.278 0.014 1.00 0.00 C ATOM 768 CG LEU A 53 -3.284 -0.731 -1.086 1.00 0.00 C ATOM 769 CD1 LEU A 53 -3.720 -0.202 -2.444 1.00 0.00 C ATOM 770 CD2 LEU A 53 -1.797 -1.054 -1.089 1.00 0.00 C ATOM 0 H LEU A 53 -4.125 -2.023 0.849 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.254 -0.272 1.587 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.668 0.539 -0.063 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.044 1.189 -0.175 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.834 -1.650 -0.884 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.478 -0.934 -3.214 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.795 -0.024 -2.437 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.199 0.732 -2.655 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.583 -1.774 -1.879 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.227 -0.142 -1.265 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.515 -1.478 -0.125 1.00 0.00 H new ATOM 782 N LEU A 54 -5.096 0.680 2.873 1.00 0.00 N ATOM 783 CA LEU A 54 -5.715 1.600 3.821 1.00 0.00 C ATOM 784 C LEU A 54 -5.142 1.406 5.221 1.00 0.00 C ATOM 785 O LEU A 54 -4.466 2.286 5.754 1.00 0.00 O ATOM 786 CB LEU A 54 -7.231 1.395 3.845 1.00 0.00 C ATOM 787 CG LEU A 54 -7.966 1.967 5.057 1.00 0.00 C ATOM 788 CD1 LEU A 54 -7.250 3.202 5.582 1.00 0.00 C ATOM 789 CD2 LEU A 54 -9.408 2.296 4.700 1.00 0.00 C ATOM 0 H LEU A 54 -5.693 -0.097 2.588 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.497 2.618 3.497 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -7.652 1.843 2.945 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.434 0.325 3.794 1.00 0.00 H new ATOM 0 HG LEU A 54 -7.970 1.213 5.844 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -7.788 3.595 6.445 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -6.235 2.936 5.877 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -7.213 3.961 4.801 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -9.916 2.702 5.575 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -9.425 3.032 3.896 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -9.918 1.390 4.373 1.00 0.00 H new ATOM 801 N CYS A 55 -5.415 0.247 5.811 1.00 0.00 N ATOM 802 CA CYS A 55 -4.926 -0.064 7.148 1.00 0.00 C ATOM 803 C CYS A 55 -3.451 0.303 7.288 1.00 0.00 C ATOM 804 O CYS A 55 -3.001 0.710 8.359 1.00 0.00 O ATOM 805 CB CYS A 55 -5.123 -1.552 7.453 1.00 0.00 C ATOM 806 SG CYS A 55 -6.866 -2.042 7.662 1.00 0.00 S ATOM 0 H CYS A 55 -5.973 -0.492 5.384 1.00 0.00 H new ATOM 0 HA CYS A 55 -5.499 0.527 7.863 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -4.686 -2.139 6.645 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -4.575 -1.802 8.361 1.00 0.00 H new ATOM 811 N LEU A 56 -2.705 0.156 6.198 1.00 0.00 N ATOM 812 CA LEU A 56 -1.282 0.472 6.197 1.00 0.00 C ATOM 813 C LEU A 56 -1.060 1.981 6.237 1.00 0.00 C ATOM 814 O LEU A 56 -0.375 2.495 7.123 1.00 0.00 O ATOM 815 CB LEU A 56 -0.608 -0.122 4.960 1.00 0.00 C ATOM 816 CG LEU A 56 -0.867 -1.606 4.702 1.00 0.00 C ATOM 817 CD1 LEU A 56 0.077 -2.136 3.634 1.00 0.00 C ATOM 818 CD2 LEU A 56 -0.724 -2.405 5.988 1.00 0.00 C ATOM 0 H LEU A 56 -3.063 -0.180 5.304 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.837 0.034 7.090 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -0.937 0.441 4.086 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.468 0.028 5.050 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.889 -1.718 4.341 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.123 -3.194 3.464 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.077 -1.584 2.706 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.108 -2.010 3.965 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.912 -3.459 5.784 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.286 -2.286 6.380 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.443 -2.044 6.723 1.00 0.00 H new ATOM 830 N LEU A 57 -1.642 2.685 5.273 1.00 0.00 N ATOM 831 CA LEU A 57 -1.510 4.136 5.199 1.00 0.00 C ATOM 832 C LEU A 57 -1.628 4.766 6.583 1.00 0.00 C ATOM 833 O LEU A 57 -1.128 5.865 6.821 1.00 0.00 O ATOM 834 CB LEU A 57 -2.577 4.719 4.270 1.00 0.00 C ATOM 835 CG LEU A 57 -2.199 6.008 3.540 1.00 0.00 C ATOM 836 CD1 LEU A 57 -3.235 6.341 2.476 1.00 0.00 C ATOM 837 CD2 LEU A 57 -2.057 7.158 4.526 1.00 0.00 C ATOM 0 H LEU A 57 -2.210 2.275 4.532 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.522 4.365 4.798 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.833 3.965 3.526 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -3.477 4.907 4.856 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.238 5.857 3.049 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.950 7.261 1.966 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.288 5.527 1.753 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.210 6.473 2.946 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.788 8.067 3.988 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.003 7.311 5.046 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.279 6.921 5.251 1.00 0.00 H new ATOM 849 N ALA A 58 -2.290 4.059 7.495 1.00 0.00 N ATOM 850 CA ALA A 58 -2.469 4.547 8.857 1.00 0.00 C ATOM 851 C ALA A 58 -1.154 4.515 9.628 1.00 0.00 C ATOM 852 O ALA A 58 -0.616 5.558 9.998 1.00 0.00 O ATOM 853 CB ALA A 58 -3.526 3.723 9.577 1.00 0.00 C ATOM 0 H ALA A 58 -2.710 3.147 7.315 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.804 5.583 8.805 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -3.650 4.098 10.593 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -4.473 3.800 9.044 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.213 2.679 9.611 1.00 0.00 H new ATOM 859 N MET A 59 -0.642 3.312 9.868 1.00 0.00 N ATOM 860 CA MET A 59 0.610 3.146 10.596 1.00 0.00 C ATOM 861 C MET A 59 1.804 3.487 9.709 1.00 0.00 C ATOM 862 O MET A 59 2.939 3.560 10.181 1.00 0.00 O ATOM 863 CB MET A 59 0.738 1.712 11.114 1.00 0.00 C ATOM 864 CG MET A 59 0.370 0.658 10.081 1.00 0.00 C ATOM 865 SD MET A 59 1.697 -0.529 9.798 1.00 0.00 S ATOM 866 CE MET A 59 2.263 -0.025 8.175 1.00 0.00 C ATOM 0 H MET A 59 -1.075 2.438 9.569 1.00 0.00 H new ATOM 0 HA MET A 59 0.602 3.831 11.444 1.00 0.00 H new ATOM 0 HB2 MET A 59 1.763 1.544 11.444 1.00 0.00 H new ATOM 0 HB3 MET A 59 0.098 1.592 11.988 1.00 0.00 H new ATOM 0 HG2 MET A 59 -0.523 0.127 10.411 1.00 0.00 H new ATOM 0 HG3 MET A 59 0.120 1.148 9.140 1.00 0.00 H new ATOM 0 HE1 MET A 59 3.243 -0.461 7.980 1.00 0.00 H new ATOM 0 HE2 MET A 59 1.556 -0.369 7.420 1.00 0.00 H new ATOM 0 HE3 MET A 59 2.335 1.062 8.136 1.00 0.00 H new ATOM 876 N TYR A 60 1.540 3.695 8.425 1.00 0.00 N ATOM 877 CA TYR A 60 2.593 4.026 7.471 1.00 0.00 C ATOM 878 C TYR A 60 3.279 5.334 7.851 1.00 0.00 C ATOM 879 O TYR A 60 4.462 5.532 7.570 1.00 0.00 O ATOM 880 CB TYR A 60 2.017 4.130 6.058 1.00 0.00 C ATOM 881 CG TYR A 60 2.183 5.498 5.436 1.00 0.00 C ATOM 882 CD1 TYR A 60 2.949 5.673 4.290 1.00 0.00 C ATOM 883 CD2 TYR A 60 1.575 6.616 5.995 1.00 0.00 C ATOM 884 CE1 TYR A 60 3.105 6.921 3.719 1.00 0.00 C ATOM 885 CE2 TYR A 60 1.725 7.868 5.429 1.00 0.00 C ATOM 886 CZ TYR A 60 2.490 8.015 4.291 1.00 0.00 C ATOM 887 OH TYR A 60 2.642 9.260 3.725 1.00 0.00 O ATOM 0 H TYR A 60 0.606 3.640 8.019 1.00 0.00 H new ATOM 0 HA TYR A 60 3.334 3.227 7.495 1.00 0.00 H new ATOM 0 HB2 TYR A 60 2.502 3.390 5.422 1.00 0.00 H new ATOM 0 HB3 TYR A 60 0.957 3.880 6.088 1.00 0.00 H new ATOM 0 HD1 TYR A 60 3.431 4.819 3.838 1.00 0.00 H new ATOM 0 HD2 TYR A 60 0.975 6.505 6.886 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.705 7.040 2.829 1.00 0.00 H new ATOM 0 HE2 TYR A 60 1.246 8.727 5.876 1.00 0.00 H new ATOM 0 HH TYR A 60 2.144 9.921 4.250 1.00 0.00 H new ATOM 897 N CYS A 61 2.530 6.224 8.491 1.00 0.00 N ATOM 898 CA CYS A 61 3.064 7.515 8.910 1.00 0.00 C ATOM 899 C CYS A 61 4.278 7.333 9.816 1.00 0.00 C ATOM 900 O CYS A 61 5.019 8.279 10.074 1.00 0.00 O ATOM 901 CB CYS A 61 1.989 8.326 9.634 1.00 0.00 C ATOM 902 SG CYS A 61 2.642 9.601 10.737 1.00 0.00 S ATOM 0 H CYS A 61 1.550 6.075 8.732 1.00 0.00 H new ATOM 0 HA CYS A 61 3.377 8.057 8.018 1.00 0.00 H new ATOM 0 HB2 CYS A 61 1.344 8.798 8.892 1.00 0.00 H new ATOM 0 HB3 CYS A 61 1.364 7.646 10.213 1.00 0.00 H new ATOM 0 HG CYS A 61 3.931 9.469 10.838 1.00 0.00 H new ATOM 908 N ASN A 62 4.470 6.109 10.299 1.00 0.00 N ATOM 909 CA ASN A 62 5.591 5.804 11.179 1.00 0.00 C ATOM 910 C ASN A 62 6.875 5.605 10.376 1.00 0.00 C ATOM 911 O ASN A 62 7.902 6.217 10.668 1.00 0.00 O ATOM 912 CB ASN A 62 5.294 4.548 12.001 1.00 0.00 C ATOM 913 CG ASN A 62 5.706 4.697 13.453 1.00 0.00 C ATOM 914 OD1 ASN A 62 6.865 4.477 13.806 1.00 0.00 O ATOM 915 ND2 ASN A 62 4.757 5.072 14.302 1.00 0.00 N ATOM 0 H ASN A 62 3.864 5.314 10.096 1.00 0.00 H new ATOM 0 HA ASN A 62 5.731 6.649 11.854 1.00 0.00 H new ATOM 0 HB2 ASN A 62 4.228 4.327 11.949 1.00 0.00 H new ATOM 0 HB3 ASN A 62 5.817 3.698 11.563 1.00 0.00 H new ATOM 0 HD21 ASN A 62 4.975 5.189 15.292 1.00 0.00 H new ATOM 0 HD22 ASN A 62 3.810 5.243 13.965 1.00 0.00 H new ATOM 922 N GLY A 63 6.806 4.747 9.363 1.00 0.00 N ATOM 923 CA GLY A 63 7.969 4.485 8.534 1.00 0.00 C ATOM 924 C GLY A 63 7.601 4.230 7.086 1.00 0.00 C ATOM 925 O GLY A 63 6.423 4.149 6.742 1.00 0.00 O ATOM 0 H GLY A 63 5.967 4.229 9.101 1.00 0.00 H new ATOM 0 HA2 GLY A 63 8.650 5.335 8.589 1.00 0.00 H new ATOM 0 HA3 GLY A 63 8.505 3.621 8.927 1.00 0.00 H new ATOM 929 N ASN A 64 8.614 4.103 6.233 1.00 0.00 N ATOM 930 CA ASN A 64 8.391 3.857 4.814 1.00 0.00 C ATOM 931 C ASN A 64 7.183 4.640 4.309 1.00 0.00 C ATOM 932 O ASN A 64 6.288 4.082 3.674 1.00 0.00 O ATOM 933 CB ASN A 64 8.187 2.363 4.559 1.00 0.00 C ATOM 934 CG ASN A 64 8.454 1.981 3.115 1.00 0.00 C ATOM 935 OD1 ASN A 64 9.303 2.574 2.452 1.00 0.00 O ATOM 936 ND2 ASN A 64 7.726 0.985 2.624 1.00 0.00 N ATOM 0 H ASN A 64 9.596 4.167 6.501 1.00 0.00 H new ATOM 0 HA ASN A 64 9.273 4.194 4.270 1.00 0.00 H new ATOM 0 HB2 ASN A 64 8.848 1.792 5.211 1.00 0.00 H new ATOM 0 HB3 ASN A 64 7.165 2.089 4.822 1.00 0.00 H new ATOM 0 HD21 ASN A 64 7.860 0.683 1.659 1.00 0.00 H new ATOM 0 HD22 ASN A 64 7.033 0.522 3.212 1.00 0.00 H new ATOM 943 N LYS A 65 7.164 5.938 4.595 1.00 0.00 N ATOM 944 CA LYS A 65 6.067 6.799 4.169 1.00 0.00 C ATOM 945 C LYS A 65 6.558 7.860 3.189 1.00 0.00 C ATOM 946 O LYS A 65 7.084 8.898 3.595 1.00 0.00 O ATOM 947 CB LYS A 65 5.419 7.471 5.382 1.00 0.00 C ATOM 948 CG LYS A 65 6.404 7.814 6.486 1.00 0.00 C ATOM 949 CD LYS A 65 6.057 9.136 7.152 1.00 0.00 C ATOM 950 CE LYS A 65 7.308 9.886 7.586 1.00 0.00 C ATOM 951 NZ LYS A 65 8.050 10.446 6.422 1.00 0.00 N ATOM 0 H LYS A 65 7.896 6.416 5.120 1.00 0.00 H new ATOM 0 HA LYS A 65 5.325 6.179 3.665 1.00 0.00 H new ATOM 0 HB2 LYS A 65 4.918 8.383 5.057 1.00 0.00 H new ATOM 0 HB3 LYS A 65 4.650 6.811 5.785 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.407 7.019 7.232 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.411 7.867 6.073 1.00 0.00 H new ATOM 0 HD2 LYS A 65 5.483 9.753 6.461 1.00 0.00 H new ATOM 0 HD3 LYS A 65 5.422 8.953 8.019 1.00 0.00 H new ATOM 0 HE2 LYS A 65 7.031 10.694 8.263 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.960 9.213 8.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 8.726 11.163 6.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 8.565 9.682 5.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 7.378 10.884 5.760 1.00 0.00 H new ATOM 965 N ASP A 66 6.381 7.596 1.899 1.00 0.00 N ATOM 966 CA ASP A 66 6.804 8.529 0.862 1.00 0.00 C ATOM 967 C ASP A 66 5.644 8.867 -0.069 1.00 0.00 C ATOM 968 O ASP A 66 5.722 9.808 -0.858 1.00 0.00 O ATOM 969 CB ASP A 66 7.965 7.941 0.059 1.00 0.00 C ATOM 970 CG ASP A 66 9.298 8.559 0.432 1.00 0.00 C ATOM 971 OD1 ASP A 66 10.207 8.572 -0.426 1.00 0.00 O ATOM 972 OD2 ASP A 66 9.433 9.031 1.580 1.00 0.00 O ATOM 0 H ASP A 66 5.947 6.743 1.547 1.00 0.00 H new ATOM 0 HA ASP A 66 7.137 9.447 1.347 1.00 0.00 H new ATOM 0 HB2 ASP A 66 8.008 6.864 0.223 1.00 0.00 H new ATOM 0 HB3 ASP A 66 7.782 8.094 -1.005 1.00 0.00 H new ATOM 977 N GLY A 67 4.568 8.092 0.027 1.00 0.00 N ATOM 978 CA GLY A 67 3.408 8.324 -0.814 1.00 0.00 C ATOM 979 C GLY A 67 2.675 7.043 -1.157 1.00 0.00 C ATOM 980 O GLY A 67 2.289 6.831 -2.307 1.00 0.00 O ATOM 0 H GLY A 67 4.479 7.307 0.672 1.00 0.00 H new ATOM 0 HA2 GLY A 67 2.725 9.005 -0.306 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.723 8.816 -1.734 1.00 0.00 H new ATOM 984 N SER A 68 2.484 6.186 -0.160 1.00 0.00 N ATOM 985 CA SER A 68 1.798 4.916 -0.363 1.00 0.00 C ATOM 986 C SER A 68 1.400 4.294 0.971 1.00 0.00 C ATOM 987 O SER A 68 0.281 4.486 1.450 1.00 0.00 O ATOM 988 CB SER A 68 2.690 3.949 -1.144 1.00 0.00 C ATOM 989 OG SER A 68 2.213 3.768 -2.466 1.00 0.00 O ATOM 0 H SER A 68 2.795 6.348 0.798 1.00 0.00 H new ATOM 0 HA SER A 68 0.893 5.109 -0.938 1.00 0.00 H new ATOM 0 HB2 SER A 68 3.710 4.332 -1.172 1.00 0.00 H new ATOM 0 HB3 SER A 68 2.725 2.987 -0.632 1.00 0.00 H new ATOM 0 HG SER A 68 2.066 4.642 -2.883 1.00 0.00 H new ATOM 995 N LEU A 69 2.322 3.546 1.567 1.00 0.00 N ATOM 996 CA LEU A 69 2.069 2.894 2.847 1.00 0.00 C ATOM 997 C LEU A 69 3.308 2.147 3.331 1.00 0.00 C ATOM 998 O LEU A 69 4.377 2.244 2.730 1.00 0.00 O ATOM 999 CB LEU A 69 0.891 1.925 2.724 1.00 0.00 C ATOM 1000 CG LEU A 69 0.975 0.907 1.587 1.00 0.00 C ATOM 1001 CD1 LEU A 69 0.445 1.506 0.293 1.00 0.00 C ATOM 1002 CD2 LEU A 69 2.407 0.427 1.406 1.00 0.00 C ATOM 0 H LEU A 69 3.252 3.376 1.184 1.00 0.00 H new ATOM 0 HA LEU A 69 1.823 3.665 3.578 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.793 1.382 3.664 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.021 2.508 2.596 1.00 0.00 H new ATOM 0 HG LEU A 69 0.355 0.049 1.847 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.513 0.766 -0.505 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.596 1.800 0.428 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.038 2.381 0.028 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.448 -0.297 0.592 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.048 1.276 1.169 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.753 -0.042 2.327 1.00 0.00 H new ATOM 1014 N GLN A 70 3.154 1.401 4.421 1.00 0.00 N ATOM 1015 CA GLN A 70 4.259 0.636 4.984 1.00 0.00 C ATOM 1016 C GLN A 70 3.856 -0.817 5.214 1.00 0.00 C ATOM 1017 O GLN A 70 2.674 -1.128 5.360 1.00 0.00 O ATOM 1018 CB GLN A 70 4.721 1.263 6.301 1.00 0.00 C ATOM 1019 CG GLN A 70 5.758 0.433 7.040 1.00 0.00 C ATOM 1020 CD GLN A 70 7.034 0.248 6.243 1.00 0.00 C ATOM 1021 OE1 GLN A 70 6.997 -0.080 5.057 1.00 0.00 O ATOM 1022 NE2 GLN A 70 8.173 0.459 6.892 1.00 0.00 N ATOM 0 H GLN A 70 2.275 1.311 4.931 1.00 0.00 H new ATOM 0 HA GLN A 70 5.082 0.656 4.270 1.00 0.00 H new ATOM 0 HB2 GLN A 70 5.136 2.250 6.098 1.00 0.00 H new ATOM 0 HB3 GLN A 70 3.856 1.408 6.948 1.00 0.00 H new ATOM 0 HG2 GLN A 70 5.994 0.914 7.989 1.00 0.00 H new ATOM 0 HG3 GLN A 70 5.336 -0.544 7.274 1.00 0.00 H new ATOM 0 HE21 GLN A 70 8.157 0.730 7.875 1.00 0.00 H new ATOM 0 HE22 GLN A 70 9.064 0.350 6.407 1.00 0.00 H new ATOM 1031 N CYS A 71 4.846 -1.702 5.243 1.00 0.00 N ATOM 1032 CA CYS A 71 4.595 -3.124 5.453 1.00 0.00 C ATOM 1033 C CYS A 71 4.659 -3.473 6.937 1.00 0.00 C ATOM 1034 O CYS A 71 5.729 -3.506 7.547 1.00 0.00 O ATOM 1035 CB CYS A 71 5.611 -3.962 4.675 1.00 0.00 C ATOM 1036 SG CYS A 71 5.572 -5.739 5.077 1.00 0.00 S ATOM 0 H CYS A 71 5.830 -1.461 5.124 1.00 0.00 H new ATOM 0 HA CYS A 71 3.593 -3.350 5.088 1.00 0.00 H new ATOM 0 HB2 CYS A 71 5.427 -3.838 3.608 1.00 0.00 H new ATOM 0 HB3 CYS A 71 6.611 -3.577 4.873 1.00 0.00 H new ATOM 1041 N PRO A 72 3.489 -3.743 7.533 1.00 0.00 N ATOM 1042 CA PRO A 72 3.385 -4.096 8.952 1.00 0.00 C ATOM 1043 C PRO A 72 3.966 -5.475 9.250 1.00 0.00 C ATOM 1044 O PRO A 72 3.909 -5.950 10.383 1.00 0.00 O ATOM 1045 CB PRO A 72 1.876 -4.084 9.211 1.00 0.00 C ATOM 1046 CG PRO A 72 1.261 -4.354 7.881 1.00 0.00 C ATOM 1047 CD PRO A 72 2.176 -3.723 6.867 1.00 0.00 C ATOM 0 HA PRO A 72 3.945 -3.408 9.585 1.00 0.00 H new ATOM 0 HB2 PRO A 72 1.593 -4.844 9.939 1.00 0.00 H new ATOM 0 HB3 PRO A 72 1.550 -3.123 9.610 1.00 0.00 H new ATOM 0 HG2 PRO A 72 1.164 -5.425 7.706 1.00 0.00 H new ATOM 0 HG3 PRO A 72 0.259 -3.929 7.821 1.00 0.00 H new ATOM 0 HD2 PRO A 72 2.190 -4.286 5.934 1.00 0.00 H new ATOM 0 HD3 PRO A 72 1.865 -2.707 6.622 1.00 0.00 H new ATOM 1055 N SER A 73 4.524 -6.110 8.225 1.00 0.00 N ATOM 1056 CA SER A 73 5.112 -7.436 8.376 1.00 0.00 C ATOM 1057 C SER A 73 6.624 -7.343 8.555 1.00 0.00 C ATOM 1058 O SER A 73 7.130 -7.350 9.677 1.00 0.00 O ATOM 1059 CB SER A 73 4.783 -8.306 7.161 1.00 0.00 C ATOM 1060 OG SER A 73 3.888 -9.349 7.507 1.00 0.00 O ATOM 0 H SER A 73 4.581 -5.728 7.281 1.00 0.00 H new ATOM 0 HA SER A 73 4.686 -7.895 9.268 1.00 0.00 H new ATOM 0 HB2 SER A 73 4.342 -7.690 6.377 1.00 0.00 H new ATOM 0 HB3 SER A 73 5.701 -8.730 6.755 1.00 0.00 H new ATOM 0 HG SER A 73 3.692 -9.889 6.713 1.00 0.00 H new ATOM 1066 N CYS A 74 7.340 -7.255 7.440 1.00 0.00 N ATOM 1067 CA CYS A 74 8.795 -7.160 7.469 1.00 0.00 C ATOM 1068 C CYS A 74 9.248 -5.708 7.348 1.00 0.00 C ATOM 1069 O CYS A 74 10.323 -5.423 6.820 1.00 0.00 O ATOM 1070 CB CYS A 74 9.405 -7.993 6.341 1.00 0.00 C ATOM 1071 SG CYS A 74 9.244 -7.238 4.690 1.00 0.00 S ATOM 0 H CYS A 74 6.936 -7.247 6.503 1.00 0.00 H new ATOM 0 HA CYS A 74 9.140 -7.551 8.426 1.00 0.00 H new ATOM 0 HB2 CYS A 74 10.462 -8.155 6.554 1.00 0.00 H new ATOM 0 HB3 CYS A 74 8.929 -8.973 6.329 1.00 0.00 H new ATOM 1076 N LYS A 75 8.420 -4.793 7.839 1.00 0.00 N ATOM 1077 CA LYS A 75 8.734 -3.369 7.787 1.00 0.00 C ATOM 1078 C LYS A 75 9.513 -3.030 6.520 1.00 0.00 C ATOM 1079 O LYS A 75 10.474 -2.261 6.557 1.00 0.00 O ATOM 1080 CB LYS A 75 9.543 -2.960 9.021 1.00 0.00 C ATOM 1081 CG LYS A 75 8.797 -3.158 10.329 1.00 0.00 C ATOM 1082 CD LYS A 75 7.339 -2.747 10.208 1.00 0.00 C ATOM 1083 CE LYS A 75 6.665 -2.680 11.571 1.00 0.00 C ATOM 1084 NZ LYS A 75 5.712 -3.807 11.773 1.00 0.00 N ATOM 0 H LYS A 75 7.526 -5.011 8.278 1.00 0.00 H new ATOM 0 HA LYS A 75 7.796 -2.815 7.774 1.00 0.00 H new ATOM 0 HB2 LYS A 75 10.467 -3.538 9.048 1.00 0.00 H new ATOM 0 HB3 LYS A 75 9.826 -1.911 8.929 1.00 0.00 H new ATOM 0 HG2 LYS A 75 8.857 -4.204 10.628 1.00 0.00 H new ATOM 0 HG3 LYS A 75 9.277 -2.574 11.114 1.00 0.00 H new ATOM 0 HD2 LYS A 75 7.273 -1.775 9.720 1.00 0.00 H new ATOM 0 HD3 LYS A 75 6.810 -3.459 9.574 1.00 0.00 H new ATOM 0 HE2 LYS A 75 7.424 -2.701 12.353 1.00 0.00 H new ATOM 0 HE3 LYS A 75 6.134 -1.733 11.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 4.743 -3.481 11.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 5.951 -4.584 11.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 5.776 -4.144 12.755 1.00 0.00 H new ATOM 1098 N THR A 76 9.091 -3.607 5.399 1.00 0.00 N ATOM 1099 CA THR A 76 9.748 -3.365 4.121 1.00 0.00 C ATOM 1100 C THR A 76 9.729 -1.883 3.765 1.00 0.00 C ATOM 1101 O THR A 76 8.665 -1.267 3.805 1.00 0.00 O ATOM 1102 CB THR A 76 9.079 -4.162 2.985 1.00 0.00 C ATOM 1103 OG1 THR A 76 10.053 -4.523 2.000 1.00 0.00 O ATOM 1104 CG2 THR A 76 7.970 -3.349 2.335 1.00 0.00 C ATOM 0 H THR A 76 8.297 -4.245 5.351 1.00 0.00 H new ATOM 0 HA THR A 76 10.780 -3.697 4.229 1.00 0.00 H new ATOM 0 HB THR A 76 8.643 -5.065 3.412 1.00 0.00 H new ATOM 0 HG1 THR A 76 10.749 -5.074 2.415 1.00 0.00 H new ATOM 0 HG21 THR A 76 7.512 -3.932 1.536 1.00 0.00 H new ATOM 0 HG22 THR A 76 7.215 -3.101 3.081 1.00 0.00 H new ATOM 0 HG23 THR A 76 8.387 -2.431 1.921 1.00 0.00 H new TER 1112 THR A 76 HETATM 1113 ZN ZN A 201 -7.229 -4.312 7.283 1.00 0.00 ZN HETATM 1114 ZN ZN A 202 7.066 -7.064 3.888 1.00 0.00 ZN