USER MOD reduce.3.24.130724 H: found=0, std=0, add=846, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 838 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 73 HIS :FLIP no HD1:sc= -0.416 F(o=0.57,f=1.7) USER MOD Set 1.2: A 77 CYS SG : rot -157:sc= -0.32 USER MOD Set 1.3: A 82 CYS SG : rot -100:sc= 2 USER MOD Set 1.4: A 85 CYS SG : rot 118:sc= 0.484 USER MOD Set 2.1: A 57 LYS NZ :NH3+ -178:sc= 2.25 (180deg=1.21) USER MOD Set 2.2: B 120 SER OG : rot -140:sc= 0.906 USER MOD Set 3.1: A 49 HIS : no HE2:sc= -0.831 X(o=3,f=2.7) USER MOD Set 3.2: A 53 CYS SG : rot -144:sc= 1.28 USER MOD Set 3.3: A 59 CYS SG : rot 129:sc= 0.448 USER MOD Set 3.4: A 64 CYS SG : rot 125:sc= 2.14 USER MOD Set 4.1: A 18 HIS :FLIP no HD1:sc= 0.355 F(o=-2.8,f=3.8) USER MOD Set 4.2: A 22 CYS SG : rot 90:sc= 0.286 USER MOD Set 4.3: A 40 CYS SG : rot 110:sc= 1.34 USER MOD Set 4.4: A 44 LYS NZ :NH3+ -147:sc= 1.78 (180deg=0) USER MOD Set 5.1: A 11 GLN : amide:sc= 0.938 K(o=1.6,f=-1.6) USER MOD Set 5.2: A 12 GLN : amide:sc= 0.751 K(o=1.6,f=-0.45) USER MOD Set 5.3: A 43 MET CE :methyl 160:sc= -0.06 (180deg=-0.622) USER MOD Single : A 1 ALA N :NH3+ -103:sc= 0.0808 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 1.28 (180deg=1.28) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= 0.424 K(o=0.42,f=-1.8!) USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 42 THR OG1 : rot -170:sc= 0 USER MOD Single : A 45 ASN : amide:sc= 1 K(o=1,f=0) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 MET CE :methyl -175:sc= -0.103 (180deg=-0.164) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.00382 USER MOD Single : A 52 HIS : no HE2:sc= 1.23 K(o=1.2,f=-3.6!) USER MOD Single : A 54 GLN : amide:sc= 0.859 K(o=0.86,f=0) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 HIS : no HD1:sc= 0.674 K(o=0.67,f=-2.2!) USER MOD Single : A 66 SER OG : rot 78:sc= 0.864 USER MOD Single : A 67 SER OG : rot -79:sc= 1.24 USER MOD Single : A 69 GLN : amide:sc= -0.579 X(o=-0.58,f=-0.85) USER MOD Single : A 72 SER OG : rot 67:sc= 1.25 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= 1.02 K(o=1,f=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HE2:sc= 0.864 K(o=0.86,f=-4.6!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 117 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 119 THR OG1 : rot -71:sc= 1.35 USER MOD Single : B 121 TYR OH : rot 180:sc= 0 USER MOD Single : B 123 CYS SG : rot 81:sc= 0.235 USER MOD Single : B 126 ASN : amide:sc= 1.75 K(o=1.7,f=-4.9!) USER MOD Single : B 130 GLN : amide:sc= 0.637 K(o=0.64,f=-2.9!) USER MOD Single : B 137 GLN : amide:sc= 0.817 K(o=0.82,f=-0.24) USER MOD Single : B 147 GLN : amide:sc= 0.898 K(o=0.9,f=0) USER MOD Single : B 149 ASN : amide:sc= 1.16 K(o=1.2,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 6.247 -12.147 15.552 1.00 0.00 N ATOM 2 CA ALA A 1 5.530 -10.868 15.319 1.00 0.00 C ATOM 3 C ALA A 1 5.672 -9.938 16.531 1.00 0.00 C ATOM 4 O ALA A 1 5.950 -10.397 17.641 1.00 0.00 O ATOM 5 CB ALA A 1 4.055 -11.118 14.956 1.00 0.00 C ATOM 0 H1 ALA A 1 7.145 -12.142 15.027 1.00 0.00 H new ATOM 0 H2 ALA A 1 6.441 -12.256 16.568 1.00 0.00 H new ATOM 0 H3 ALA A 1 5.659 -12.940 15.225 1.00 0.00 H new ATOM 0 HA ALA A 1 5.989 -10.367 14.466 1.00 0.00 H new ATOM 0 HB1 ALA A 1 3.554 -10.164 14.791 1.00 0.00 H new ATOM 0 HB2 ALA A 1 4.001 -11.718 14.048 1.00 0.00 H new ATOM 0 HB3 ALA A 1 3.564 -11.649 15.772 1.00 0.00 H new ATOM 13 N ASP A 2 5.495 -8.627 16.337 1.00 0.00 N ATOM 14 CA ASP A 2 5.618 -7.589 17.371 1.00 0.00 C ATOM 15 C ASP A 2 4.556 -6.475 17.194 1.00 0.00 C ATOM 16 O ASP A 2 4.359 -6.009 16.067 1.00 0.00 O ATOM 17 CB ASP A 2 7.036 -7.004 17.305 1.00 0.00 C ATOM 18 CG ASP A 2 7.275 -5.972 18.416 1.00 0.00 C ATOM 19 OD1 ASP A 2 6.947 -4.784 18.205 1.00 0.00 O ATOM 20 OD2 ASP A 2 7.774 -6.357 19.501 1.00 0.00 O ATOM 0 H ASP A 2 5.253 -8.244 15.423 1.00 0.00 H new ATOM 0 HA ASP A 2 5.442 -8.037 18.349 1.00 0.00 H new ATOM 0 HB2 ASP A 2 7.766 -7.809 17.392 1.00 0.00 H new ATOM 0 HB3 ASP A 2 7.192 -6.536 16.333 1.00 0.00 H new ATOM 25 N PRO A 3 3.867 -6.030 18.268 1.00 0.00 N ATOM 26 CA PRO A 3 2.856 -4.968 18.210 1.00 0.00 C ATOM 27 C PRO A 3 3.294 -3.708 17.452 1.00 0.00 C ATOM 28 O PRO A 3 2.568 -3.233 16.581 1.00 0.00 O ATOM 29 CB PRO A 3 2.491 -4.649 19.664 1.00 0.00 C ATOM 30 CG PRO A 3 2.769 -5.964 20.385 1.00 0.00 C ATOM 31 CD PRO A 3 3.986 -6.508 19.641 1.00 0.00 C ATOM 0 HA PRO A 3 2.000 -5.323 17.636 1.00 0.00 H new ATOM 0 HB2 PRO A 3 3.096 -3.835 20.062 1.00 0.00 H new ATOM 0 HB3 PRO A 3 1.448 -4.348 19.761 1.00 0.00 H new ATOM 0 HG2 PRO A 3 2.978 -5.808 21.443 1.00 0.00 H new ATOM 0 HG3 PRO A 3 1.920 -6.645 20.325 1.00 0.00 H new ATOM 0 HD2 PRO A 3 4.911 -6.156 20.097 1.00 0.00 H new ATOM 0 HD3 PRO A 3 4.008 -7.597 19.674 1.00 0.00 H new ATOM 39 N GLU A 4 4.471 -3.151 17.748 1.00 0.00 N ATOM 40 CA GLU A 4 4.979 -1.945 17.079 1.00 0.00 C ATOM 41 C GLU A 4 5.242 -2.176 15.586 1.00 0.00 C ATOM 42 O GLU A 4 4.879 -1.330 14.768 1.00 0.00 O ATOM 43 CB GLU A 4 6.212 -1.363 17.780 1.00 0.00 C ATOM 44 CG GLU A 4 5.948 -1.022 19.253 1.00 0.00 C ATOM 45 CD GLU A 4 7.157 -0.304 19.882 1.00 0.00 C ATOM 46 OE1 GLU A 4 7.258 0.942 19.759 1.00 0.00 O ATOM 47 OE2 GLU A 4 8.011 -0.970 20.518 1.00 0.00 O ATOM 0 H GLU A 4 5.101 -3.522 18.459 1.00 0.00 H new ATOM 0 HA GLU A 4 4.186 -1.201 17.156 1.00 0.00 H new ATOM 0 HB2 GLU A 4 7.032 -2.078 17.718 1.00 0.00 H new ATOM 0 HB3 GLU A 4 6.533 -0.464 17.255 1.00 0.00 H new ATOM 0 HG2 GLU A 4 5.065 -0.388 19.330 1.00 0.00 H new ATOM 0 HG3 GLU A 4 5.734 -1.935 19.808 1.00 0.00 H new ATOM 54 N LYS A 5 5.803 -3.331 15.197 1.00 0.00 N ATOM 55 CA LYS A 5 5.968 -3.683 13.774 1.00 0.00 C ATOM 56 C LYS A 5 4.612 -3.709 13.066 1.00 0.00 C ATOM 57 O LYS A 5 4.519 -3.248 11.930 1.00 0.00 O ATOM 58 CB LYS A 5 6.725 -5.004 13.575 1.00 0.00 C ATOM 59 CG LYS A 5 8.199 -4.889 13.990 1.00 0.00 C ATOM 60 CD LYS A 5 8.959 -6.181 13.660 1.00 0.00 C ATOM 61 CE LYS A 5 10.437 -6.032 14.037 1.00 0.00 C ATOM 62 NZ LYS A 5 11.218 -7.236 13.653 1.00 0.00 N ATOM 0 H LYS A 5 6.150 -4.038 15.845 1.00 0.00 H new ATOM 0 HA LYS A 5 6.583 -2.905 13.321 1.00 0.00 H new ATOM 0 HB2 LYS A 5 6.244 -5.789 14.158 1.00 0.00 H new ATOM 0 HB3 LYS A 5 6.665 -5.302 12.528 1.00 0.00 H new ATOM 0 HG2 LYS A 5 8.662 -4.047 13.475 1.00 0.00 H new ATOM 0 HG3 LYS A 5 8.266 -4.685 15.059 1.00 0.00 H new ATOM 0 HD2 LYS A 5 8.520 -7.019 14.201 1.00 0.00 H new ATOM 0 HD3 LYS A 5 8.867 -6.405 12.597 1.00 0.00 H new ATOM 0 HE2 LYS A 5 10.853 -5.154 13.544 1.00 0.00 H new ATOM 0 HE3 LYS A 5 10.525 -5.866 15.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 12.214 -7.104 13.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 10.835 -8.069 14.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 11.153 -7.379 12.625 1.00 0.00 H new ATOM 76 N ARG A 6 3.543 -4.172 13.730 1.00 0.00 N ATOM 77 CA ARG A 6 2.172 -4.138 13.186 1.00 0.00 C ATOM 78 C ARG A 6 1.703 -2.692 12.985 1.00 0.00 C ATOM 79 O ARG A 6 1.207 -2.388 11.905 1.00 0.00 O ATOM 80 CB ARG A 6 1.204 -5.002 14.014 1.00 0.00 C ATOM 81 CG ARG A 6 1.434 -6.488 13.696 1.00 0.00 C ATOM 82 CD ARG A 6 0.490 -7.401 14.482 1.00 0.00 C ATOM 83 NE ARG A 6 0.529 -8.773 13.944 1.00 0.00 N ATOM 84 CZ ARG A 6 0.279 -9.912 14.561 1.00 0.00 C ATOM 85 NH1 ARG A 6 -0.038 -9.977 15.823 1.00 0.00 N ATOM 86 NH2 ARG A 6 0.345 -11.024 13.891 1.00 0.00 N ATOM 0 H ARG A 6 3.602 -4.582 14.662 1.00 0.00 H new ATOM 0 HA ARG A 6 2.179 -4.595 12.197 1.00 0.00 H new ATOM 0 HB2 ARG A 6 1.358 -4.820 15.078 1.00 0.00 H new ATOM 0 HB3 ARG A 6 0.173 -4.727 13.789 1.00 0.00 H new ATOM 0 HG2 ARG A 6 1.293 -6.655 12.628 1.00 0.00 H new ATOM 0 HG3 ARG A 6 2.466 -6.751 13.926 1.00 0.00 H new ATOM 0 HD2 ARG A 6 0.775 -7.409 15.534 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -0.527 -7.013 14.430 1.00 0.00 H new ATOM 0 HE ARG A 6 0.784 -8.853 12.960 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -0.102 -9.123 16.377 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -0.223 -10.882 16.257 1.00 0.00 H new ATOM 0 HH21 ARG A 6 0.588 -11.009 12.900 1.00 0.00 H new ATOM 0 HH22 ARG A 6 0.154 -11.912 14.356 1.00 0.00 H new ATOM 100 N LYS A 7 1.916 -1.785 13.951 1.00 0.00 N ATOM 101 CA LYS A 7 1.620 -0.335 13.818 1.00 0.00 C ATOM 102 C LYS A 7 2.311 0.255 12.580 1.00 0.00 C ATOM 103 O LYS A 7 1.676 0.922 11.762 1.00 0.00 O ATOM 104 CB LYS A 7 2.038 0.458 15.070 1.00 0.00 C ATOM 105 CG LYS A 7 1.345 0.007 16.362 1.00 0.00 C ATOM 106 CD LYS A 7 1.937 0.737 17.573 1.00 0.00 C ATOM 107 CE LYS A 7 1.323 0.275 18.903 1.00 0.00 C ATOM 108 NZ LYS A 7 -0.096 0.699 19.049 1.00 0.00 N ATOM 0 H LYS A 7 2.303 -2.033 14.861 1.00 0.00 H new ATOM 0 HA LYS A 7 0.540 -0.245 13.705 1.00 0.00 H new ATOM 0 HB2 LYS A 7 3.117 0.368 15.199 1.00 0.00 H new ATOM 0 HB3 LYS A 7 1.823 1.514 14.906 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.276 0.207 16.297 1.00 0.00 H new ATOM 0 HG3 LYS A 7 1.461 -1.070 16.487 1.00 0.00 H new ATOM 0 HD2 LYS A 7 3.014 0.574 17.599 1.00 0.00 H new ATOM 0 HD3 LYS A 7 1.780 1.809 17.458 1.00 0.00 H new ATOM 0 HE2 LYS A 7 1.384 -0.811 18.970 1.00 0.00 H new ATOM 0 HE3 LYS A 7 1.907 0.679 19.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -0.466 0.364 19.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -0.154 1.737 19.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -0.661 0.293 18.276 1.00 0.00 H new ATOM 122 N LEU A 8 3.610 -0.017 12.430 1.00 0.00 N ATOM 123 CA LEU A 8 4.433 0.390 11.284 1.00 0.00 C ATOM 124 C LEU A 8 3.858 -0.159 9.966 1.00 0.00 C ATOM 125 O LEU A 8 3.713 0.588 9.001 1.00 0.00 O ATOM 126 CB LEU A 8 5.892 -0.048 11.512 1.00 0.00 C ATOM 127 CG LEU A 8 6.611 0.692 12.656 1.00 0.00 C ATOM 128 CD1 LEU A 8 7.987 0.066 12.884 1.00 0.00 C ATOM 129 CD2 LEU A 8 6.779 2.187 12.369 1.00 0.00 C ATOM 0 H LEU A 8 4.137 -0.545 13.126 1.00 0.00 H new ATOM 0 HA LEU A 8 4.417 1.477 11.199 1.00 0.00 H new ATOM 0 HB2 LEU A 8 5.908 -1.118 11.722 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.452 0.104 10.589 1.00 0.00 H new ATOM 0 HG LEU A 8 5.991 0.593 13.547 1.00 0.00 H new ATOM 0 HD11 LEU A 8 8.495 0.590 13.693 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.869 -0.985 13.149 1.00 0.00 H new ATOM 0 HD13 LEU A 8 8.579 0.146 11.972 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.291 2.663 13.205 1.00 0.00 H new ATOM 0 HD22 LEU A 8 7.367 2.319 11.461 1.00 0.00 H new ATOM 0 HD23 LEU A 8 5.799 2.644 12.236 1.00 0.00 H new ATOM 141 N ILE A 9 3.499 -1.446 9.924 1.00 0.00 N ATOM 142 CA ILE A 9 2.860 -2.105 8.775 1.00 0.00 C ATOM 143 C ILE A 9 1.535 -1.413 8.418 1.00 0.00 C ATOM 144 O ILE A 9 1.354 -1.079 7.249 1.00 0.00 O ATOM 145 CB ILE A 9 2.737 -3.626 9.019 1.00 0.00 C ATOM 146 CG1 ILE A 9 4.140 -4.255 8.857 1.00 0.00 C ATOM 147 CG2 ILE A 9 1.747 -4.308 8.060 1.00 0.00 C ATOM 148 CD1 ILE A 9 4.264 -5.649 9.472 1.00 0.00 C ATOM 0 H ILE A 9 3.648 -2.078 10.710 1.00 0.00 H new ATOM 0 HA ILE A 9 3.492 -1.998 7.894 1.00 0.00 H new ATOM 0 HB ILE A 9 2.347 -3.778 10.025 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.382 -4.313 7.796 1.00 0.00 H new ATOM 0 HG13 ILE A 9 4.878 -3.598 9.317 1.00 0.00 H new ATOM 0 HG21 ILE A 9 1.704 -5.375 8.280 1.00 0.00 H new ATOM 0 HG22 ILE A 9 0.757 -3.871 8.188 1.00 0.00 H new ATOM 0 HG23 ILE A 9 2.078 -4.163 7.032 1.00 0.00 H new ATOM 0 HD11 ILE A 9 5.275 -6.026 9.319 1.00 0.00 H new ATOM 0 HD12 ILE A 9 4.054 -5.595 10.540 1.00 0.00 H new ATOM 0 HD13 ILE A 9 3.551 -6.322 8.996 1.00 0.00 H new ATOM 160 N GLN A 10 0.637 -1.147 9.382 1.00 0.00 N ATOM 161 CA GLN A 10 -0.616 -0.399 9.153 1.00 0.00 C ATOM 162 C GLN A 10 -0.313 0.920 8.424 1.00 0.00 C ATOM 163 O GLN A 10 -0.861 1.184 7.353 1.00 0.00 O ATOM 164 CB GLN A 10 -1.368 -0.065 10.458 1.00 0.00 C ATOM 165 CG GLN A 10 -1.964 -1.233 11.247 1.00 0.00 C ATOM 166 CD GLN A 10 -2.707 -0.710 12.476 1.00 0.00 C ATOM 167 OE1 GLN A 10 -2.120 -0.412 13.509 1.00 0.00 O ATOM 168 NE2 GLN A 10 -4.015 -0.567 12.428 1.00 0.00 N ATOM 0 H GLN A 10 0.759 -1.446 10.349 1.00 0.00 H new ATOM 0 HA GLN A 10 -1.253 -1.048 8.552 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -0.682 0.469 11.115 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -2.177 0.624 10.214 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -2.646 -1.800 10.613 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -1.172 -1.916 11.554 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -4.524 -0.809 11.578 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -4.520 -0.214 13.241 1.00 0.00 H new ATOM 177 N GLN A 11 0.585 1.729 9.003 1.00 0.00 N ATOM 178 CA GLN A 11 1.036 3.007 8.454 1.00 0.00 C ATOM 179 C GLN A 11 1.518 2.857 7.006 1.00 0.00 C ATOM 180 O GLN A 11 0.987 3.520 6.118 1.00 0.00 O ATOM 181 CB GLN A 11 2.091 3.620 9.391 1.00 0.00 C ATOM 182 CG GLN A 11 2.549 5.017 8.946 1.00 0.00 C ATOM 183 CD GLN A 11 3.993 5.050 8.450 1.00 0.00 C ATOM 184 OE1 GLN A 11 4.350 4.462 7.440 1.00 0.00 O ATOM 185 NE2 GLN A 11 4.876 5.739 9.138 1.00 0.00 N ATOM 0 H GLN A 11 1.029 1.502 9.893 1.00 0.00 H new ATOM 0 HA GLN A 11 0.198 3.702 8.405 1.00 0.00 H new ATOM 0 HB2 GLN A 11 1.681 3.682 10.399 1.00 0.00 H new ATOM 0 HB3 GLN A 11 2.956 2.958 9.438 1.00 0.00 H new ATOM 0 HG2 GLN A 11 1.891 5.372 8.152 1.00 0.00 H new ATOM 0 HG3 GLN A 11 2.443 5.710 9.781 1.00 0.00 H new ATOM 0 HE21 GLN A 11 4.591 6.234 9.983 1.00 0.00 H new ATOM 0 HE22 GLN A 11 5.847 5.778 8.827 1.00 0.00 H new ATOM 194 N GLN A 12 2.489 1.977 6.753 1.00 0.00 N ATOM 195 CA GLN A 12 3.029 1.701 5.418 1.00 0.00 C ATOM 196 C GLN A 12 1.938 1.298 4.411 1.00 0.00 C ATOM 197 O GLN A 12 1.950 1.799 3.289 1.00 0.00 O ATOM 198 CB GLN A 12 4.145 0.648 5.517 1.00 0.00 C ATOM 199 CG GLN A 12 5.411 1.200 6.194 1.00 0.00 C ATOM 200 CD GLN A 12 6.200 2.130 5.278 1.00 0.00 C ATOM 201 OE1 GLN A 12 7.030 1.711 4.483 1.00 0.00 O ATOM 202 NE2 GLN A 12 5.992 3.423 5.373 1.00 0.00 N ATOM 0 H GLN A 12 2.932 1.424 7.486 1.00 0.00 H new ATOM 0 HA GLN A 12 3.457 2.624 5.028 1.00 0.00 H new ATOM 0 HB2 GLN A 12 3.781 -0.212 6.079 1.00 0.00 H new ATOM 0 HB3 GLN A 12 4.396 0.293 4.518 1.00 0.00 H new ATOM 0 HG2 GLN A 12 5.131 1.738 7.100 1.00 0.00 H new ATOM 0 HG3 GLN A 12 6.048 0.370 6.500 1.00 0.00 H new ATOM 0 HE21 GLN A 12 5.302 3.781 6.033 1.00 0.00 H new ATOM 0 HE22 GLN A 12 6.520 4.069 4.787 1.00 0.00 H new ATOM 211 N LEU A 13 0.983 0.441 4.796 1.00 0.00 N ATOM 212 CA LEU A 13 -0.156 0.005 3.984 1.00 0.00 C ATOM 213 C LEU A 13 -0.967 1.234 3.532 1.00 0.00 C ATOM 214 O LEU A 13 -1.125 1.476 2.336 1.00 0.00 O ATOM 215 CB LEU A 13 -0.964 -1.040 4.793 1.00 0.00 C ATOM 216 CG LEU A 13 -1.695 -2.101 3.952 1.00 0.00 C ATOM 217 CD1 LEU A 13 -2.234 -3.226 4.835 1.00 0.00 C ATOM 218 CD2 LEU A 13 -2.840 -1.522 3.140 1.00 0.00 C ATOM 0 H LEU A 13 0.985 0.015 5.723 1.00 0.00 H new ATOM 0 HA LEU A 13 0.162 -0.489 3.066 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.286 -1.548 5.479 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.699 -0.514 5.403 1.00 0.00 H new ATOM 0 HG LEU A 13 -0.952 -2.495 3.258 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.746 -3.962 4.215 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.407 -3.705 5.359 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.934 -2.814 5.562 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.318 -2.317 2.567 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.570 -1.069 3.811 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.455 -0.764 2.458 1.00 0.00 H new ATOM 230 N VAL A 14 -1.436 2.042 4.487 1.00 0.00 N ATOM 231 CA VAL A 14 -2.198 3.281 4.256 1.00 0.00 C ATOM 232 C VAL A 14 -1.414 4.302 3.414 1.00 0.00 C ATOM 233 O VAL A 14 -1.962 4.816 2.436 1.00 0.00 O ATOM 234 CB VAL A 14 -2.695 3.861 5.593 1.00 0.00 C ATOM 235 CG1 VAL A 14 -3.447 5.189 5.444 1.00 0.00 C ATOM 236 CG2 VAL A 14 -3.669 2.859 6.236 1.00 0.00 C ATOM 0 H VAL A 14 -1.293 1.848 5.478 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.076 3.033 3.660 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.807 4.041 6.200 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.767 5.538 6.426 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.789 5.931 4.992 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -4.320 5.043 4.808 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -4.028 3.258 7.184 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -4.514 2.694 5.568 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -3.155 1.914 6.412 1.00 0.00 H new ATOM 246 N LEU A 15 -0.146 4.592 3.740 1.00 0.00 N ATOM 247 CA LEU A 15 0.692 5.510 2.953 1.00 0.00 C ATOM 248 C LEU A 15 0.845 5.032 1.499 1.00 0.00 C ATOM 249 O LEU A 15 0.695 5.828 0.576 1.00 0.00 O ATOM 250 CB LEU A 15 2.098 5.708 3.548 1.00 0.00 C ATOM 251 CG LEU A 15 2.259 6.413 4.901 1.00 0.00 C ATOM 252 CD1 LEU A 15 3.749 6.720 5.080 1.00 0.00 C ATOM 253 CD2 LEU A 15 1.488 7.727 4.992 1.00 0.00 C ATOM 0 H LEU A 15 0.327 4.199 4.554 1.00 0.00 H new ATOM 0 HA LEU A 15 0.167 6.465 2.981 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.555 4.723 3.638 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.685 6.266 2.818 1.00 0.00 H new ATOM 0 HG LEU A 15 1.862 5.754 5.673 1.00 0.00 H new ATOM 0 HD11 LEU A 15 3.905 7.223 6.034 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.317 5.790 5.064 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.087 7.366 4.270 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.645 8.174 5.974 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.843 8.411 4.221 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.425 7.536 4.846 1.00 0.00 H new ATOM 265 N LEU A 16 1.150 3.748 1.281 1.00 0.00 N ATOM 266 CA LEU A 16 1.310 3.150 -0.046 1.00 0.00 C ATOM 267 C LEU A 16 0.031 3.276 -0.891 1.00 0.00 C ATOM 268 O LEU A 16 0.090 3.625 -2.071 1.00 0.00 O ATOM 269 CB LEU A 16 1.755 1.689 0.115 1.00 0.00 C ATOM 270 CG LEU A 16 2.041 0.983 -1.218 1.00 0.00 C ATOM 271 CD1 LEU A 16 3.203 1.634 -1.960 1.00 0.00 C ATOM 272 CD2 LEU A 16 2.434 -0.459 -0.931 1.00 0.00 C ATOM 0 H LEU A 16 1.295 3.082 2.040 1.00 0.00 H new ATOM 0 HA LEU A 16 2.080 3.695 -0.592 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.652 1.657 0.733 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.980 1.139 0.649 1.00 0.00 H new ATOM 0 HG LEU A 16 1.143 1.048 -1.832 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.376 1.107 -2.899 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.963 2.677 -2.168 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.101 1.584 -1.345 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.640 -0.974 -1.869 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.326 -0.475 -0.305 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.618 -0.962 -0.413 1.00 0.00 H new ATOM 284 N LEU A 17 -1.129 3.015 -0.285 1.00 0.00 N ATOM 285 CA LEU A 17 -2.437 3.184 -0.922 1.00 0.00 C ATOM 286 C LEU A 17 -2.642 4.651 -1.331 1.00 0.00 C ATOM 287 O LEU A 17 -2.970 4.925 -2.489 1.00 0.00 O ATOM 288 CB LEU A 17 -3.540 2.689 0.021 1.00 0.00 C ATOM 289 CG LEU A 17 -3.542 1.161 0.187 1.00 0.00 C ATOM 290 CD1 LEU A 17 -4.404 0.807 1.391 1.00 0.00 C ATOM 291 CD2 LEU A 17 -4.095 0.443 -1.040 1.00 0.00 C ATOM 0 H LEU A 17 -1.187 2.676 0.675 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.484 2.585 -1.831 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.413 3.156 0.998 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.509 3.009 -0.361 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.510 0.837 0.322 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -4.417 -0.275 1.524 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -3.993 1.277 2.284 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.421 1.165 1.228 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -4.075 -0.634 -0.871 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.122 0.763 -1.217 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.484 0.686 -1.910 1.00 0.00 H new ATOM 303 N HIS A 18 -2.405 5.593 -0.405 1.00 0.00 N ATOM 304 CA HIS A 18 -2.451 7.029 -0.692 1.00 0.00 C ATOM 305 C HIS A 18 -1.518 7.365 -1.868 1.00 0.00 C ATOM 306 O HIS A 18 -1.972 8.020 -2.795 1.00 0.00 O ATOM 307 CB HIS A 18 -2.152 7.883 0.557 1.00 0.00 C ATOM 308 CG HIS A 18 -2.107 9.376 0.276 1.00 0.00 C ATOM 309 ND1 HIS A 18 -1.119 10.021 -0.418 1.00 0.00 N flip ATOM 310 CD2 HIS A 18 -3.043 10.331 0.617 1.00 0.00 C flip ATOM 311 CE1 HIS A 18 -1.444 11.381 -0.523 1.00 0.00 C flip ATOM 312 NE2 HIS A 18 -2.622 11.514 0.118 1.00 0.00 N flip ATOM 0 H HIS A 18 -2.176 5.376 0.565 1.00 0.00 H new ATOM 0 HA HIS A 18 -3.469 7.284 -0.987 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -2.913 7.687 1.312 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -1.196 7.572 0.979 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -3.949 10.163 1.181 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -0.873 12.156 -1.013 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -3.130 12.393 0.214 1.00 0.00 H new ATOM 320 N ALA A 19 -0.254 6.923 -1.871 1.00 0.00 N ATOM 321 CA ALA A 19 0.746 7.188 -2.914 1.00 0.00 C ATOM 322 C ALA A 19 0.208 7.066 -4.351 1.00 0.00 C ATOM 323 O ALA A 19 0.355 7.990 -5.153 1.00 0.00 O ATOM 324 CB ALA A 19 1.973 6.299 -2.682 1.00 0.00 C ATOM 0 H ALA A 19 0.116 6.347 -1.115 1.00 0.00 H new ATOM 0 HA ALA A 19 1.033 8.236 -2.824 1.00 0.00 H new ATOM 0 HB1 ALA A 19 2.716 6.495 -3.455 1.00 0.00 H new ATOM 0 HB2 ALA A 19 2.401 6.518 -1.704 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.676 5.251 -2.721 1.00 0.00 H new ATOM 330 N HIS A 20 -0.441 5.947 -4.698 1.00 0.00 N ATOM 331 CA HIS A 20 -1.051 5.796 -6.029 1.00 0.00 C ATOM 332 C HIS A 20 -2.307 6.666 -6.186 1.00 0.00 C ATOM 333 O HIS A 20 -2.474 7.306 -7.222 1.00 0.00 O ATOM 334 CB HIS A 20 -1.316 4.327 -6.344 1.00 0.00 C ATOM 335 CG HIS A 20 -1.908 4.136 -7.720 1.00 0.00 C ATOM 336 ND1 HIS A 20 -3.232 3.846 -8.008 1.00 0.00 N ATOM 337 CD2 HIS A 20 -1.252 4.356 -8.899 1.00 0.00 C ATOM 338 CE1 HIS A 20 -3.374 3.896 -9.349 1.00 0.00 C ATOM 339 NE2 HIS A 20 -2.183 4.195 -9.912 1.00 0.00 N ATOM 0 H HIS A 20 -0.558 5.140 -4.085 1.00 0.00 H new ATOM 0 HA HIS A 20 -0.336 6.160 -6.767 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -0.383 3.768 -6.271 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -1.995 3.914 -5.598 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -0.208 4.607 -9.018 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -4.294 3.724 -9.887 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -2.001 4.286 -10.911 1.00 0.00 H new ATOM 348 N LYS A 21 -3.186 6.725 -5.176 1.00 0.00 N ATOM 349 CA LYS A 21 -4.401 7.568 -5.172 1.00 0.00 C ATOM 350 C LYS A 21 -4.072 9.056 -5.410 1.00 0.00 C ATOM 351 O LYS A 21 -4.781 9.727 -6.152 1.00 0.00 O ATOM 352 CB LYS A 21 -5.207 7.301 -3.891 1.00 0.00 C ATOM 353 CG LYS A 21 -6.610 7.930 -3.939 1.00 0.00 C ATOM 354 CD LYS A 21 -7.600 7.257 -2.973 1.00 0.00 C ATOM 355 CE LYS A 21 -7.177 7.264 -1.495 1.00 0.00 C ATOM 356 NZ LYS A 21 -7.192 8.632 -0.907 1.00 0.00 N ATOM 0 H LYS A 21 -3.075 6.180 -4.321 1.00 0.00 H new ATOM 0 HA LYS A 21 -5.036 7.293 -6.014 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -5.299 6.225 -3.740 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -4.663 7.697 -3.034 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.536 8.990 -3.696 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -6.999 7.862 -4.955 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -8.565 7.756 -3.061 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.745 6.224 -3.288 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -7.846 6.619 -0.925 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -6.175 6.843 -1.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -6.900 8.585 0.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -6.534 9.243 -1.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -8.153 9.025 -0.968 1.00 0.00 H new ATOM 370 N CYS A 22 -2.979 9.549 -4.836 1.00 0.00 N ATOM 371 CA CYS A 22 -2.375 10.874 -4.971 1.00 0.00 C ATOM 372 C CYS A 22 -2.065 11.157 -6.461 1.00 0.00 C ATOM 373 O CYS A 22 -2.579 12.112 -7.054 1.00 0.00 O ATOM 374 CB CYS A 22 -1.139 10.837 -4.051 1.00 0.00 C ATOM 375 SG CYS A 22 -0.280 12.414 -3.832 1.00 0.00 S ATOM 0 H CYS A 22 -2.436 8.969 -4.196 1.00 0.00 H new ATOM 0 HA CYS A 22 -3.024 11.697 -4.670 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -1.448 10.473 -3.071 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -0.432 10.111 -4.452 1.00 0.00 H new ATOM 0 HG CYS A 22 -0.786 13.047 -2.815 1.00 0.00 H new ATOM 627 N HIS A 39 5.579 12.384 3.795 1.00 0.00 N ATOM 628 CA HIS A 39 6.107 11.016 3.650 1.00 0.00 C ATOM 629 C HIS A 39 5.643 10.298 2.367 1.00 0.00 C ATOM 630 O HIS A 39 6.267 9.313 1.962 1.00 0.00 O ATOM 631 CB HIS A 39 5.732 10.212 4.907 1.00 0.00 C ATOM 632 CG HIS A 39 6.274 10.827 6.178 1.00 0.00 C ATOM 633 ND1 HIS A 39 5.531 11.440 7.175 1.00 0.00 N ATOM 634 CD2 HIS A 39 7.596 10.930 6.509 1.00 0.00 C ATOM 635 CE1 HIS A 39 6.396 11.898 8.103 1.00 0.00 C ATOM 636 NE2 HIS A 39 7.656 11.600 7.720 1.00 0.00 N ATOM 0 HA HIS A 39 7.190 11.088 3.550 1.00 0.00 H new ATOM 0 HB2 HIS A 39 4.647 10.141 4.977 1.00 0.00 H new ATOM 0 HB3 HIS A 39 6.112 9.195 4.810 1.00 0.00 H new ATOM 0 HD2 HIS A 39 8.433 10.560 5.936 1.00 0.00 H new ATOM 0 HE1 HIS A 39 6.124 12.420 9.008 1.00 0.00 H new ATOM 0 HE2 HIS A 39 8.507 11.829 8.234 1.00 0.00 H new ATOM 645 N CYS A 40 4.581 10.793 1.719 1.00 0.00 N ATOM 646 CA CYS A 40 4.014 10.284 0.468 1.00 0.00 C ATOM 647 C CYS A 40 5.087 10.157 -0.631 1.00 0.00 C ATOM 648 O CYS A 40 5.168 9.135 -1.312 1.00 0.00 O ATOM 649 CB CYS A 40 2.863 11.220 0.073 1.00 0.00 C ATOM 650 SG CYS A 40 1.932 10.586 -1.343 1.00 0.00 S ATOM 0 H CYS A 40 4.069 11.601 2.073 1.00 0.00 H new ATOM 0 HA CYS A 40 3.629 9.273 0.602 1.00 0.00 H new ATOM 0 HB2 CYS A 40 2.191 11.347 0.922 1.00 0.00 H new ATOM 0 HB3 CYS A 40 3.263 12.205 -0.167 1.00 0.00 H new ATOM 0 HG CYS A 40 0.757 10.194 -0.949 1.00 0.00 H new ATOM 655 N ARG A 41 5.967 11.163 -0.761 1.00 0.00 N ATOM 656 CA ARG A 41 7.113 11.210 -1.693 1.00 0.00 C ATOM 657 C ARG A 41 7.909 9.908 -1.723 1.00 0.00 C ATOM 658 O ARG A 41 8.141 9.369 -2.805 1.00 0.00 O ATOM 659 CB ARG A 41 8.030 12.388 -1.340 1.00 0.00 C ATOM 660 CG ARG A 41 7.371 13.722 -1.716 1.00 0.00 C ATOM 661 CD ARG A 41 8.201 14.923 -1.248 1.00 0.00 C ATOM 662 NE ARG A 41 8.309 14.967 0.225 1.00 0.00 N ATOM 663 CZ ARG A 41 9.106 15.726 0.953 1.00 0.00 C ATOM 664 NH1 ARG A 41 9.875 16.638 0.428 1.00 0.00 N ATOM 665 NH2 ARG A 41 9.144 15.571 2.243 1.00 0.00 N ATOM 0 H ARG A 41 5.898 12.008 -0.193 1.00 0.00 H new ATOM 0 HA ARG A 41 6.704 11.349 -2.694 1.00 0.00 H new ATOM 0 HB2 ARG A 41 8.252 12.375 -0.273 1.00 0.00 H new ATOM 0 HB3 ARG A 41 8.980 12.286 -1.865 1.00 0.00 H new ATOM 0 HG2 ARG A 41 7.241 13.770 -2.797 1.00 0.00 H new ATOM 0 HG3 ARG A 41 6.377 13.773 -1.272 1.00 0.00 H new ATOM 0 HD2 ARG A 41 9.198 14.870 -1.685 1.00 0.00 H new ATOM 0 HD3 ARG A 41 7.744 15.845 -1.608 1.00 0.00 H new ATOM 0 HE ARG A 41 7.695 14.336 0.740 1.00 0.00 H new ATOM 0 HH11 ARG A 41 9.875 16.786 -0.581 1.00 0.00 H new ATOM 0 HH12 ARG A 41 10.477 17.204 1.026 1.00 0.00 H new ATOM 0 HH21 ARG A 41 8.559 14.865 2.689 1.00 0.00 H new ATOM 0 HH22 ARG A 41 9.759 16.156 2.809 1.00 0.00 H new ATOM 679 N THR A 42 8.314 9.396 -0.560 1.00 0.00 N ATOM 680 CA THR A 42 9.047 8.126 -0.442 1.00 0.00 C ATOM 681 C THR A 42 8.216 6.982 -1.019 1.00 0.00 C ATOM 682 O THR A 42 8.699 6.264 -1.888 1.00 0.00 O ATOM 683 CB THR A 42 9.463 7.825 1.007 1.00 0.00 C ATOM 684 OG1 THR A 42 10.151 8.944 1.529 1.00 0.00 O ATOM 685 CG2 THR A 42 10.413 6.624 1.088 1.00 0.00 C ATOM 0 H THR A 42 8.143 9.852 0.336 1.00 0.00 H new ATOM 0 HA THR A 42 9.966 8.223 -1.019 1.00 0.00 H new ATOM 0 HB THR A 42 8.557 7.604 1.571 1.00 0.00 H new ATOM 0 HG1 THR A 42 10.556 8.707 2.389 1.00 0.00 H new ATOM 0 HG21 THR A 42 10.684 6.444 2.128 1.00 0.00 H new ATOM 0 HG22 THR A 42 9.918 5.741 0.683 1.00 0.00 H new ATOM 0 HG23 THR A 42 11.313 6.832 0.510 1.00 0.00 H new ATOM 693 N MET A 43 6.957 6.831 -0.592 1.00 0.00 N ATOM 694 CA MET A 43 6.054 5.802 -1.125 1.00 0.00 C ATOM 695 C MET A 43 5.840 5.931 -2.646 1.00 0.00 C ATOM 696 O MET A 43 5.846 4.915 -3.332 1.00 0.00 O ATOM 697 CB MET A 43 4.714 5.767 -0.388 1.00 0.00 C ATOM 698 CG MET A 43 4.803 5.401 1.096 1.00 0.00 C ATOM 699 SD MET A 43 5.625 3.841 1.536 1.00 0.00 S ATOM 700 CE MET A 43 7.284 4.447 1.956 1.00 0.00 C ATOM 0 H MET A 43 6.536 7.416 0.130 1.00 0.00 H new ATOM 0 HA MET A 43 6.554 4.850 -0.947 1.00 0.00 H new ATOM 0 HB2 MET A 43 4.241 6.745 -0.478 1.00 0.00 H new ATOM 0 HB3 MET A 43 4.061 5.050 -0.885 1.00 0.00 H new ATOM 0 HG2 MET A 43 5.322 6.210 1.610 1.00 0.00 H new ATOM 0 HG3 MET A 43 3.789 5.369 1.495 1.00 0.00 H new ATOM 0 HE1 MET A 43 7.797 3.707 2.571 1.00 0.00 H new ATOM 0 HE2 MET A 43 7.852 4.615 1.041 1.00 0.00 H new ATOM 0 HE3 MET A 43 7.200 5.383 2.509 1.00 0.00 H new ATOM 710 N LYS A 44 5.677 7.142 -3.200 1.00 0.00 N ATOM 711 CA LYS A 44 5.538 7.410 -4.649 1.00 0.00 C ATOM 712 C LYS A 44 6.800 6.992 -5.416 1.00 0.00 C ATOM 713 O LYS A 44 6.697 6.306 -6.434 1.00 0.00 O ATOM 714 CB LYS A 44 5.136 8.877 -4.910 1.00 0.00 C ATOM 715 CG LYS A 44 3.652 9.087 -4.560 1.00 0.00 C ATOM 716 CD LYS A 44 3.081 10.479 -4.889 1.00 0.00 C ATOM 717 CE LYS A 44 3.689 11.625 -4.061 1.00 0.00 C ATOM 718 NZ LYS A 44 2.647 12.483 -3.446 1.00 0.00 N ATOM 0 H LYS A 44 5.636 7.992 -2.638 1.00 0.00 H new ATOM 0 HA LYS A 44 4.725 6.794 -5.033 1.00 0.00 H new ATOM 0 HB2 LYS A 44 5.757 9.545 -4.313 1.00 0.00 H new ATOM 0 HB3 LYS A 44 5.311 9.130 -5.956 1.00 0.00 H new ATOM 0 HG2 LYS A 44 3.063 8.338 -5.089 1.00 0.00 H new ATOM 0 HG3 LYS A 44 3.519 8.902 -3.494 1.00 0.00 H new ATOM 0 HD2 LYS A 44 3.244 10.685 -5.947 1.00 0.00 H new ATOM 0 HD3 LYS A 44 2.003 10.464 -4.730 1.00 0.00 H new ATOM 0 HE2 LYS A 44 4.324 11.209 -3.279 1.00 0.00 H new ATOM 0 HE3 LYS A 44 4.328 12.234 -4.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 2.990 13.464 -3.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 1.783 12.447 -4.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 2.437 12.141 -2.487 1.00 0.00 H new ATOM 732 N ASN A 45 7.988 7.348 -4.917 1.00 0.00 N ATOM 733 CA ASN A 45 9.270 6.895 -5.483 1.00 0.00 C ATOM 734 C ASN A 45 9.352 5.352 -5.468 1.00 0.00 C ATOM 735 O ASN A 45 9.666 4.730 -6.485 1.00 0.00 O ATOM 736 CB ASN A 45 10.448 7.534 -4.724 1.00 0.00 C ATOM 737 CG ASN A 45 10.791 8.919 -5.246 1.00 0.00 C ATOM 738 OD1 ASN A 45 11.660 9.091 -6.091 1.00 0.00 O ATOM 739 ND2 ASN A 45 10.128 9.948 -4.775 1.00 0.00 N ATOM 0 H ASN A 45 8.092 7.960 -4.107 1.00 0.00 H new ATOM 0 HA ASN A 45 9.332 7.218 -6.522 1.00 0.00 H new ATOM 0 HB2 ASN A 45 10.201 7.599 -3.664 1.00 0.00 H new ATOM 0 HB3 ASN A 45 11.323 6.890 -4.809 1.00 0.00 H new ATOM 0 HD21 ASN A 45 10.337 10.887 -5.113 1.00 0.00 H new ATOM 0 HD22 ASN A 45 9.403 9.809 -4.071 1.00 0.00 H new ATOM 746 N VAL A 46 9.037 4.736 -4.322 1.00 0.00 N ATOM 747 CA VAL A 46 8.982 3.275 -4.118 1.00 0.00 C ATOM 748 C VAL A 46 8.022 2.624 -5.121 1.00 0.00 C ATOM 749 O VAL A 46 8.417 1.686 -5.800 1.00 0.00 O ATOM 750 CB VAL A 46 8.637 2.945 -2.651 1.00 0.00 C ATOM 751 CG1 VAL A 46 8.227 1.486 -2.411 1.00 0.00 C ATOM 752 CG2 VAL A 46 9.854 3.246 -1.764 1.00 0.00 C ATOM 0 H VAL A 46 8.804 5.257 -3.477 1.00 0.00 H new ATOM 0 HA VAL A 46 9.967 2.849 -4.310 1.00 0.00 H new ATOM 0 HB VAL A 46 7.777 3.566 -2.402 1.00 0.00 H new ATOM 0 HG11 VAL A 46 8.002 1.340 -1.355 1.00 0.00 H new ATOM 0 HG12 VAL A 46 7.344 1.254 -3.006 1.00 0.00 H new ATOM 0 HG13 VAL A 46 9.044 0.826 -2.702 1.00 0.00 H new ATOM 0 HG21 VAL A 46 9.614 3.014 -0.726 1.00 0.00 H new ATOM 0 HG22 VAL A 46 10.699 2.637 -2.086 1.00 0.00 H new ATOM 0 HG23 VAL A 46 10.114 4.301 -1.849 1.00 0.00 H new ATOM 762 N LEU A 47 6.790 3.126 -5.252 1.00 0.00 N ATOM 763 CA LEU A 47 5.747 2.697 -6.195 1.00 0.00 C ATOM 764 C LEU A 47 6.274 2.646 -7.639 1.00 0.00 C ATOM 765 O LEU A 47 6.168 1.607 -8.293 1.00 0.00 O ATOM 766 CB LEU A 47 4.523 3.622 -6.013 1.00 0.00 C ATOM 767 CG LEU A 47 3.238 3.276 -6.784 1.00 0.00 C ATOM 768 CD1 LEU A 47 3.256 3.641 -8.266 1.00 0.00 C ATOM 769 CD2 LEU A 47 2.899 1.799 -6.654 1.00 0.00 C ATOM 0 H LEU A 47 6.471 3.895 -4.663 1.00 0.00 H new ATOM 0 HA LEU A 47 5.437 1.674 -5.981 1.00 0.00 H new ATOM 0 HB2 LEU A 47 4.279 3.648 -4.951 1.00 0.00 H new ATOM 0 HB3 LEU A 47 4.822 4.631 -6.297 1.00 0.00 H new ATOM 0 HG LEU A 47 2.474 3.896 -6.314 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.307 3.358 -8.722 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.405 4.715 -8.374 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.069 3.110 -8.762 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.986 1.585 -7.209 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.717 1.201 -7.056 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.751 1.551 -5.603 1.00 0.00 H new ATOM 781 N ASN A 48 6.867 3.745 -8.123 1.00 0.00 N ATOM 782 CA ASN A 48 7.482 3.829 -9.452 1.00 0.00 C ATOM 783 C ASN A 48 8.539 2.729 -9.660 1.00 0.00 C ATOM 784 O ASN A 48 8.571 2.083 -10.705 1.00 0.00 O ATOM 785 CB ASN A 48 8.092 5.224 -9.641 1.00 0.00 C ATOM 786 CG ASN A 48 8.757 5.355 -11.004 1.00 0.00 C ATOM 787 OD1 ASN A 48 8.114 5.319 -12.045 1.00 0.00 O ATOM 788 ND2 ASN A 48 10.064 5.491 -11.049 1.00 0.00 N ATOM 0 H ASN A 48 6.933 4.614 -7.593 1.00 0.00 H new ATOM 0 HA ASN A 48 6.710 3.669 -10.204 1.00 0.00 H new ATOM 0 HB2 ASN A 48 7.314 5.981 -9.539 1.00 0.00 H new ATOM 0 HB3 ASN A 48 8.825 5.412 -8.856 1.00 0.00 H new ATOM 0 HD21 ASN A 48 10.538 5.566 -11.949 1.00 0.00 H new ATOM 0 HD22 ASN A 48 10.604 5.521 -10.184 1.00 0.00 H new ATOM 795 N HIS A 49 9.408 2.507 -8.673 1.00 0.00 N ATOM 796 CA HIS A 49 10.404 1.437 -8.710 1.00 0.00 C ATOM 797 C HIS A 49 9.719 0.048 -8.753 1.00 0.00 C ATOM 798 O HIS A 49 10.036 -0.768 -9.619 1.00 0.00 O ATOM 799 CB HIS A 49 11.364 1.609 -7.521 1.00 0.00 C ATOM 800 CG HIS A 49 12.267 0.417 -7.323 1.00 0.00 C ATOM 801 ND1 HIS A 49 13.438 0.163 -8.006 1.00 0.00 N ATOM 802 CD2 HIS A 49 11.968 -0.695 -6.579 1.00 0.00 C ATOM 803 CE1 HIS A 49 13.817 -1.094 -7.706 1.00 0.00 C ATOM 804 NE2 HIS A 49 12.957 -1.649 -6.835 1.00 0.00 N ATOM 0 H HIS A 49 9.440 3.068 -7.821 1.00 0.00 H new ATOM 0 HA HIS A 49 10.995 1.500 -9.623 1.00 0.00 H new ATOM 0 HB2 HIS A 49 11.973 2.499 -7.678 1.00 0.00 H new ATOM 0 HB3 HIS A 49 10.785 1.775 -6.613 1.00 0.00 H new ATOM 0 HD1 HIS A 49 13.927 0.809 -8.625 1.00 0.00 H new ATOM 0 HD2 HIS A 49 11.123 -0.812 -5.917 1.00 0.00 H new ATOM 0 HE1 HIS A 49 14.690 -1.587 -8.109 1.00 0.00 H new ATOM 812 N MET A 50 8.775 -0.209 -7.840 1.00 0.00 N ATOM 813 CA MET A 50 8.001 -1.447 -7.650 1.00 0.00 C ATOM 814 C MET A 50 7.447 -2.071 -8.943 1.00 0.00 C ATOM 815 O MET A 50 7.578 -3.279 -9.149 1.00 0.00 O ATOM 816 CB MET A 50 6.849 -1.210 -6.653 1.00 0.00 C ATOM 817 CG MET A 50 6.854 -2.194 -5.480 1.00 0.00 C ATOM 818 SD MET A 50 5.243 -2.514 -4.711 1.00 0.00 S ATOM 819 CE MET A 50 4.567 -0.845 -4.523 1.00 0.00 C ATOM 0 H MET A 50 8.509 0.501 -7.157 1.00 0.00 H new ATOM 0 HA MET A 50 8.714 -2.170 -7.254 1.00 0.00 H new ATOM 0 HB2 MET A 50 6.916 -0.193 -6.266 1.00 0.00 H new ATOM 0 HB3 MET A 50 5.899 -1.289 -7.181 1.00 0.00 H new ATOM 0 HG2 MET A 50 7.264 -3.142 -5.828 1.00 0.00 H new ATOM 0 HG3 MET A 50 7.532 -1.815 -4.715 1.00 0.00 H new ATOM 0 HE1 MET A 50 3.621 -0.894 -3.983 1.00 0.00 H new ATOM 0 HE2 MET A 50 5.272 -0.228 -3.966 1.00 0.00 H new ATOM 0 HE3 MET A 50 4.400 -0.407 -5.507 1.00 0.00 H new ATOM 829 N THR A 51 6.810 -1.280 -9.812 1.00 0.00 N ATOM 830 CA THR A 51 6.250 -1.764 -11.090 1.00 0.00 C ATOM 831 C THR A 51 7.327 -2.307 -12.031 1.00 0.00 C ATOM 832 O THR A 51 7.154 -3.373 -12.625 1.00 0.00 O ATOM 833 CB THR A 51 5.448 -0.681 -11.828 1.00 0.00 C ATOM 834 OG1 THR A 51 6.126 0.556 -11.800 1.00 0.00 O ATOM 835 CG2 THR A 51 4.067 -0.492 -11.203 1.00 0.00 C ATOM 0 H THR A 51 6.665 -0.283 -9.654 1.00 0.00 H new ATOM 0 HA THR A 51 5.577 -2.576 -10.814 1.00 0.00 H new ATOM 0 HB THR A 51 5.336 -1.016 -12.859 1.00 0.00 H new ATOM 0 HG1 THR A 51 5.598 1.230 -12.277 1.00 0.00 H new ATOM 0 HG21 THR A 51 3.524 0.281 -11.747 1.00 0.00 H new ATOM 0 HG22 THR A 51 3.513 -1.429 -11.254 1.00 0.00 H new ATOM 0 HG23 THR A 51 4.177 -0.192 -10.161 1.00 0.00 H new ATOM 843 N HIS A 52 8.434 -1.572 -12.178 1.00 0.00 N ATOM 844 CA HIS A 52 9.582 -1.920 -13.026 1.00 0.00 C ATOM 845 C HIS A 52 10.373 -3.118 -12.476 1.00 0.00 C ATOM 846 O HIS A 52 10.650 -4.061 -13.222 1.00 0.00 O ATOM 847 CB HIS A 52 10.460 -0.676 -13.225 1.00 0.00 C ATOM 848 CG HIS A 52 9.728 0.428 -13.951 1.00 0.00 C ATOM 849 ND1 HIS A 52 9.107 1.518 -13.371 1.00 0.00 N ATOM 850 CD2 HIS A 52 9.500 0.482 -15.299 1.00 0.00 C ATOM 851 CE1 HIS A 52 8.529 2.237 -14.352 1.00 0.00 C ATOM 852 NE2 HIS A 52 8.757 1.628 -15.535 1.00 0.00 N ATOM 0 H HIS A 52 8.561 -0.684 -11.692 1.00 0.00 H new ATOM 0 HA HIS A 52 9.214 -2.244 -13.999 1.00 0.00 H new ATOM 0 HB2 HIS A 52 10.795 -0.311 -12.254 1.00 0.00 H new ATOM 0 HB3 HIS A 52 11.352 -0.949 -13.788 1.00 0.00 H new ATOM 0 HD1 HIS A 52 9.090 1.739 -12.375 1.00 0.00 H new ATOM 0 HD2 HIS A 52 9.835 -0.231 -16.037 1.00 0.00 H new ATOM 0 HE1 HIS A 52 7.973 3.153 -14.215 1.00 0.00 H new ATOM 861 N CYS A 53 10.729 -3.091 -11.189 1.00 0.00 N ATOM 862 CA CYS A 53 11.432 -4.162 -10.482 1.00 0.00 C ATOM 863 C CYS A 53 10.579 -5.450 -10.433 1.00 0.00 C ATOM 864 O CYS A 53 9.345 -5.403 -10.355 1.00 0.00 O ATOM 865 CB CYS A 53 11.804 -3.631 -9.091 1.00 0.00 C ATOM 866 SG CYS A 53 12.525 -4.911 -8.007 1.00 0.00 S ATOM 0 H CYS A 53 10.527 -2.291 -10.589 1.00 0.00 H new ATOM 0 HA CYS A 53 12.344 -4.445 -11.007 1.00 0.00 H new ATOM 0 HB2 CYS A 53 12.515 -2.812 -9.199 1.00 0.00 H new ATOM 0 HB3 CYS A 53 10.914 -3.219 -8.615 1.00 0.00 H new ATOM 0 HG CYS A 53 12.134 -4.714 -6.783 1.00 0.00 H new ATOM 871 N GLN A 54 11.243 -6.606 -10.491 1.00 0.00 N ATOM 872 CA GLN A 54 10.656 -7.955 -10.463 1.00 0.00 C ATOM 873 C GLN A 54 11.366 -8.885 -9.453 1.00 0.00 C ATOM 874 O GLN A 54 11.073 -10.082 -9.392 1.00 0.00 O ATOM 875 CB GLN A 54 10.740 -8.563 -11.877 1.00 0.00 C ATOM 876 CG GLN A 54 9.999 -7.786 -12.980 1.00 0.00 C ATOM 877 CD GLN A 54 8.478 -7.900 -12.883 1.00 0.00 C ATOM 878 OE1 GLN A 54 7.854 -8.773 -13.475 1.00 0.00 O ATOM 879 NE2 GLN A 54 7.811 -7.036 -12.148 1.00 0.00 N ATOM 0 H GLN A 54 12.260 -6.632 -10.563 1.00 0.00 H new ATOM 0 HA GLN A 54 9.618 -7.865 -10.141 1.00 0.00 H new ATOM 0 HB2 GLN A 54 11.790 -8.643 -12.157 1.00 0.00 H new ATOM 0 HB3 GLN A 54 10.342 -9.577 -11.841 1.00 0.00 H new ATOM 0 HG2 GLN A 54 10.282 -6.735 -12.926 1.00 0.00 H new ATOM 0 HG3 GLN A 54 10.323 -8.154 -13.954 1.00 0.00 H new ATOM 0 HE21 GLN A 54 8.310 -6.301 -11.646 1.00 0.00 H new ATOM 0 HE22 GLN A 54 6.795 -7.101 -12.080 1.00 0.00 H new ATOM 888 N ALA A 55 12.313 -8.360 -8.668 1.00 0.00 N ATOM 889 CA ALA A 55 13.113 -9.111 -7.704 1.00 0.00 C ATOM 890 C ALA A 55 12.355 -9.395 -6.392 1.00 0.00 C ATOM 891 O ALA A 55 12.204 -10.557 -6.007 1.00 0.00 O ATOM 892 CB ALA A 55 14.427 -8.354 -7.483 1.00 0.00 C ATOM 0 H ALA A 55 12.549 -7.368 -8.690 1.00 0.00 H new ATOM 0 HA ALA A 55 13.331 -10.100 -8.106 1.00 0.00 H new ATOM 0 HB1 ALA A 55 15.043 -8.896 -6.765 1.00 0.00 H new ATOM 0 HB2 ALA A 55 14.962 -8.269 -8.429 1.00 0.00 H new ATOM 0 HB3 ALA A 55 14.212 -7.357 -7.097 1.00 0.00 H new ATOM 898 N GLY A 56 11.886 -8.355 -5.693 1.00 0.00 N ATOM 899 CA GLY A 56 11.140 -8.461 -4.434 1.00 0.00 C ATOM 900 C GLY A 56 11.990 -8.968 -3.262 1.00 0.00 C ATOM 901 O GLY A 56 12.605 -8.171 -2.554 1.00 0.00 O ATOM 0 H GLY A 56 12.019 -7.390 -5.996 1.00 0.00 H new ATOM 0 HA2 GLY A 56 10.730 -7.483 -4.180 1.00 0.00 H new ATOM 0 HA3 GLY A 56 10.294 -9.133 -4.577 1.00 0.00 H new ATOM 905 N LYS A 57 12.055 -10.295 -3.066 1.00 0.00 N ATOM 906 CA LYS A 57 12.864 -10.957 -2.020 1.00 0.00 C ATOM 907 C LYS A 57 14.351 -10.601 -2.157 1.00 0.00 C ATOM 908 O LYS A 57 15.006 -10.254 -1.173 1.00 0.00 O ATOM 909 CB LYS A 57 12.690 -12.492 -2.068 1.00 0.00 C ATOM 910 CG LYS A 57 11.278 -13.024 -1.756 1.00 0.00 C ATOM 911 CD LYS A 57 10.762 -12.716 -0.341 1.00 0.00 C ATOM 912 CE LYS A 57 11.528 -13.484 0.743 1.00 0.00 C ATOM 913 NZ LYS A 57 11.084 -13.088 2.102 1.00 0.00 N ATOM 0 H LYS A 57 11.535 -10.957 -3.643 1.00 0.00 H new ATOM 0 HA LYS A 57 12.505 -10.592 -1.058 1.00 0.00 H new ATOM 0 HB2 LYS A 57 12.976 -12.839 -3.061 1.00 0.00 H new ATOM 0 HB3 LYS A 57 13.389 -12.939 -1.361 1.00 0.00 H new ATOM 0 HG2 LYS A 57 10.580 -12.603 -2.480 1.00 0.00 H new ATOM 0 HG3 LYS A 57 11.274 -14.104 -1.900 1.00 0.00 H new ATOM 0 HD2 LYS A 57 10.846 -11.646 -0.152 1.00 0.00 H new ATOM 0 HD3 LYS A 57 9.703 -12.968 -0.281 1.00 0.00 H new ATOM 0 HE2 LYS A 57 11.378 -14.555 0.607 1.00 0.00 H new ATOM 0 HE3 LYS A 57 12.597 -13.296 0.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 11.644 -13.600 2.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 11.218 -12.064 2.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 10.078 -13.322 2.220 1.00 0.00 H new ATOM 927 N ALA A 58 14.874 -10.707 -3.379 1.00 0.00 N ATOM 928 CA ALA A 58 16.268 -10.429 -3.732 1.00 0.00 C ATOM 929 C ALA A 58 16.607 -8.925 -3.868 1.00 0.00 C ATOM 930 O ALA A 58 17.792 -8.575 -3.906 1.00 0.00 O ATOM 931 CB ALA A 58 16.588 -11.191 -5.025 1.00 0.00 C ATOM 0 H ALA A 58 14.317 -11.000 -4.182 1.00 0.00 H new ATOM 0 HA ALA A 58 16.895 -10.770 -2.908 1.00 0.00 H new ATOM 0 HB1 ALA A 58 17.622 -11.002 -5.312 1.00 0.00 H new ATOM 0 HB2 ALA A 58 16.446 -12.259 -4.862 1.00 0.00 H new ATOM 0 HB3 ALA A 58 15.923 -10.854 -5.820 1.00 0.00 H new ATOM 937 N CYS A 59 15.607 -8.033 -3.941 1.00 0.00 N ATOM 938 CA CYS A 59 15.813 -6.591 -4.071 1.00 0.00 C ATOM 939 C CYS A 59 16.477 -6.002 -2.809 1.00 0.00 C ATOM 940 O CYS A 59 16.086 -6.291 -1.671 1.00 0.00 O ATOM 941 CB CYS A 59 14.476 -5.903 -4.398 1.00 0.00 C ATOM 942 SG CYS A 59 14.768 -4.271 -5.160 1.00 0.00 S ATOM 0 H CYS A 59 14.623 -8.301 -3.911 1.00 0.00 H new ATOM 0 HA CYS A 59 16.501 -6.404 -4.896 1.00 0.00 H new ATOM 0 HB2 CYS A 59 13.894 -6.528 -5.075 1.00 0.00 H new ATOM 0 HB3 CYS A 59 13.888 -5.786 -3.488 1.00 0.00 H new ATOM 0 HG CYS A 59 14.077 -4.174 -6.257 1.00 0.00 H new ATOM 947 N GLN A 60 17.504 -5.179 -3.020 1.00 0.00 N ATOM 948 CA GLN A 60 18.276 -4.510 -1.967 1.00 0.00 C ATOM 949 C GLN A 60 17.444 -3.465 -1.200 1.00 0.00 C ATOM 950 O GLN A 60 17.664 -3.245 -0.006 1.00 0.00 O ATOM 951 CB GLN A 60 19.526 -3.847 -2.569 1.00 0.00 C ATOM 952 CG GLN A 60 20.501 -4.865 -3.183 1.00 0.00 C ATOM 953 CD GLN A 60 21.769 -4.188 -3.699 1.00 0.00 C ATOM 954 OE1 GLN A 60 22.809 -4.170 -3.051 1.00 0.00 O ATOM 955 NE2 GLN A 60 21.741 -3.604 -4.880 1.00 0.00 N ATOM 0 H GLN A 60 17.834 -4.951 -3.958 1.00 0.00 H new ATOM 0 HA GLN A 60 18.573 -5.276 -1.251 1.00 0.00 H new ATOM 0 HB2 GLN A 60 19.221 -3.135 -3.335 1.00 0.00 H new ATOM 0 HB3 GLN A 60 20.040 -3.280 -1.793 1.00 0.00 H new ATOM 0 HG2 GLN A 60 20.766 -5.613 -2.436 1.00 0.00 H new ATOM 0 HG3 GLN A 60 20.010 -5.392 -4.001 1.00 0.00 H new ATOM 0 HE21 GLN A 60 20.883 -3.610 -5.432 1.00 0.00 H new ATOM 0 HE22 GLN A 60 22.577 -3.146 -5.242 1.00 0.00 H new ATOM 964 N VAL A 61 16.499 -2.808 -1.881 1.00 0.00 N ATOM 965 CA VAL A 61 15.617 -1.770 -1.328 1.00 0.00 C ATOM 966 C VAL A 61 14.622 -2.380 -0.327 1.00 0.00 C ATOM 967 O VAL A 61 13.747 -3.167 -0.690 1.00 0.00 O ATOM 968 CB VAL A 61 14.874 -1.016 -2.454 1.00 0.00 C ATOM 969 CG1 VAL A 61 14.046 0.152 -1.894 1.00 0.00 C ATOM 970 CG2 VAL A 61 15.852 -0.420 -3.480 1.00 0.00 C ATOM 0 H VAL A 61 16.319 -2.990 -2.868 1.00 0.00 H new ATOM 0 HA VAL A 61 16.237 -1.048 -0.796 1.00 0.00 H new ATOM 0 HB VAL A 61 14.228 -1.753 -2.930 1.00 0.00 H new ATOM 0 HG11 VAL A 61 13.536 0.661 -2.712 1.00 0.00 H new ATOM 0 HG12 VAL A 61 13.308 -0.230 -1.188 1.00 0.00 H new ATOM 0 HG13 VAL A 61 14.706 0.854 -1.384 1.00 0.00 H new ATOM 0 HG21 VAL A 61 15.292 0.102 -4.256 1.00 0.00 H new ATOM 0 HG22 VAL A 61 16.520 0.281 -2.981 1.00 0.00 H new ATOM 0 HG23 VAL A 61 16.438 -1.220 -3.932 1.00 0.00 H new ATOM 980 N ALA A 62 14.741 -1.989 0.946 1.00 0.00 N ATOM 981 CA ALA A 62 13.881 -2.420 2.056 1.00 0.00 C ATOM 982 C ALA A 62 12.384 -2.236 1.735 1.00 0.00 C ATOM 983 O ALA A 62 11.564 -3.149 1.880 1.00 0.00 O ATOM 984 CB ALA A 62 14.301 -1.620 3.299 1.00 0.00 C ATOM 0 H ALA A 62 15.467 -1.338 1.244 1.00 0.00 H new ATOM 0 HA ALA A 62 14.009 -3.488 2.233 1.00 0.00 H new ATOM 0 HB1 ALA A 62 13.682 -1.914 4.147 1.00 0.00 H new ATOM 0 HB2 ALA A 62 15.348 -1.823 3.526 1.00 0.00 H new ATOM 0 HB3 ALA A 62 14.171 -0.555 3.107 1.00 0.00 H new ATOM 990 N HIS A 63 12.036 -1.031 1.274 1.00 0.00 N ATOM 991 CA HIS A 63 10.679 -0.631 0.892 1.00 0.00 C ATOM 992 C HIS A 63 10.086 -1.471 -0.251 1.00 0.00 C ATOM 993 O HIS A 63 8.905 -1.788 -0.166 1.00 0.00 O ATOM 994 CB HIS A 63 10.639 0.876 0.607 1.00 0.00 C ATOM 995 CG HIS A 63 11.093 1.708 1.785 1.00 0.00 C ATOM 996 ND1 HIS A 63 12.273 2.428 1.873 1.00 0.00 N ATOM 997 CD2 HIS A 63 10.448 1.797 2.988 1.00 0.00 C ATOM 998 CE1 HIS A 63 12.355 2.921 3.127 1.00 0.00 C ATOM 999 NE2 HIS A 63 11.261 2.541 3.824 1.00 0.00 N ATOM 0 H HIS A 63 12.716 -0.281 1.152 1.00 0.00 H new ATOM 0 HA HIS A 63 10.026 -0.838 1.740 1.00 0.00 H new ATOM 0 HB2 HIS A 63 11.273 1.095 -0.252 1.00 0.00 H new ATOM 0 HB3 HIS A 63 9.623 1.163 0.336 1.00 0.00 H new ATOM 0 HD2 HIS A 63 9.488 1.369 3.237 1.00 0.00 H new ATOM 0 HE1 HIS A 63 13.165 3.523 3.512 1.00 0.00 H new ATOM 0 HE2 HIS A 63 11.068 2.765 4.800 1.00 0.00 H new ATOM 1008 N CYS A 64 10.856 -1.863 -1.275 1.00 0.00 N ATOM 1009 CA CYS A 64 10.400 -2.731 -2.377 1.00 0.00 C ATOM 1010 C CYS A 64 9.900 -4.081 -1.814 1.00 0.00 C ATOM 1011 O CYS A 64 8.732 -4.452 -1.969 1.00 0.00 O ATOM 1012 CB CYS A 64 11.543 -2.890 -3.398 1.00 0.00 C ATOM 1013 SG CYS A 64 11.057 -3.894 -4.844 1.00 0.00 S ATOM 0 H CYS A 64 11.832 -1.582 -1.365 1.00 0.00 H new ATOM 0 HA CYS A 64 9.555 -2.280 -2.898 1.00 0.00 H new ATOM 0 HB2 CYS A 64 11.864 -1.904 -3.736 1.00 0.00 H new ATOM 0 HB3 CYS A 64 12.400 -3.354 -2.909 1.00 0.00 H new ATOM 0 HG CYS A 64 11.266 -3.216 -5.933 1.00 0.00 H new ATOM 1018 N ALA A 65 10.770 -4.785 -1.080 1.00 0.00 N ATOM 1019 CA ALA A 65 10.463 -6.042 -0.399 1.00 0.00 C ATOM 1020 C ALA A 65 9.193 -5.943 0.479 1.00 0.00 C ATOM 1021 O ALA A 65 8.349 -6.842 0.471 1.00 0.00 O ATOM 1022 CB ALA A 65 11.697 -6.461 0.411 1.00 0.00 C ATOM 0 H ALA A 65 11.735 -4.484 -0.941 1.00 0.00 H new ATOM 0 HA ALA A 65 10.235 -6.808 -1.140 1.00 0.00 H new ATOM 0 HB1 ALA A 65 11.491 -7.398 0.929 1.00 0.00 H new ATOM 0 HB2 ALA A 65 12.545 -6.596 -0.261 1.00 0.00 H new ATOM 0 HB3 ALA A 65 11.933 -5.687 1.141 1.00 0.00 H new ATOM 1028 N SER A 66 9.058 -4.851 1.238 1.00 0.00 N ATOM 1029 CA SER A 66 7.923 -4.564 2.130 1.00 0.00 C ATOM 1030 C SER A 66 6.613 -4.268 1.382 1.00 0.00 C ATOM 1031 O SER A 66 5.612 -4.952 1.591 1.00 0.00 O ATOM 1032 CB SER A 66 8.255 -3.382 3.048 1.00 0.00 C ATOM 1033 OG SER A 66 9.455 -3.626 3.751 1.00 0.00 O ATOM 0 H SER A 66 9.762 -4.113 1.251 1.00 0.00 H new ATOM 0 HA SER A 66 7.763 -5.471 2.713 1.00 0.00 H new ATOM 0 HB2 SER A 66 8.351 -2.471 2.458 1.00 0.00 H new ATOM 0 HB3 SER A 66 7.440 -3.221 3.753 1.00 0.00 H new ATOM 0 HG SER A 66 10.219 -3.463 3.160 1.00 0.00 H new ATOM 1039 N SER A 67 6.600 -3.242 0.522 1.00 0.00 N ATOM 1040 CA SER A 67 5.447 -2.760 -0.262 1.00 0.00 C ATOM 1041 C SER A 67 4.722 -3.850 -1.058 1.00 0.00 C ATOM 1042 O SER A 67 3.492 -3.904 -1.069 1.00 0.00 O ATOM 1043 CB SER A 67 5.819 -1.565 -1.149 1.00 0.00 C ATOM 1044 OG SER A 67 6.926 -1.833 -1.978 1.00 0.00 O ATOM 0 H SER A 67 7.440 -2.692 0.342 1.00 0.00 H new ATOM 0 HA SER A 67 4.725 -2.420 0.480 1.00 0.00 H new ATOM 0 HB2 SER A 67 4.963 -1.295 -1.767 1.00 0.00 H new ATOM 0 HB3 SER A 67 6.041 -0.704 -0.519 1.00 0.00 H new ATOM 0 HG SER A 67 7.752 -1.752 -1.457 1.00 0.00 H new ATOM 1050 N ARG A 68 5.454 -4.765 -1.694 1.00 0.00 N ATOM 1051 CA ARG A 68 4.863 -5.907 -2.411 1.00 0.00 C ATOM 1052 C ARG A 68 4.062 -6.823 -1.473 1.00 0.00 C ATOM 1053 O ARG A 68 3.014 -7.339 -1.861 1.00 0.00 O ATOM 1054 CB ARG A 68 5.972 -6.678 -3.123 1.00 0.00 C ATOM 1055 CG ARG A 68 6.697 -5.849 -4.188 1.00 0.00 C ATOM 1056 CD ARG A 68 7.910 -6.640 -4.682 1.00 0.00 C ATOM 1057 NE ARG A 68 8.754 -5.847 -5.580 1.00 0.00 N ATOM 1058 CZ ARG A 68 8.510 -5.509 -6.823 1.00 0.00 C ATOM 1059 NH1 ARG A 68 7.414 -5.819 -7.456 1.00 0.00 N ATOM 1060 NH2 ARG A 68 9.387 -4.824 -7.469 1.00 0.00 N ATOM 0 H ARG A 68 6.473 -4.740 -1.730 1.00 0.00 H new ATOM 0 HA ARG A 68 4.155 -5.527 -3.148 1.00 0.00 H new ATOM 0 HB2 ARG A 68 6.697 -7.023 -2.385 1.00 0.00 H new ATOM 0 HB3 ARG A 68 5.546 -7.565 -3.591 1.00 0.00 H new ATOM 0 HG2 ARG A 68 6.025 -5.629 -5.018 1.00 0.00 H new ATOM 0 HG3 ARG A 68 7.013 -4.892 -3.772 1.00 0.00 H new ATOM 0 HD2 ARG A 68 8.500 -6.970 -3.827 1.00 0.00 H new ATOM 0 HD3 ARG A 68 7.571 -7.537 -5.201 1.00 0.00 H new ATOM 0 HE ARG A 68 9.638 -5.518 -5.191 1.00 0.00 H new ATOM 0 HH11 ARG A 68 6.686 -6.355 -6.983 1.00 0.00 H new ATOM 0 HH12 ARG A 68 7.284 -5.526 -8.424 1.00 0.00 H new ATOM 0 HH21 ARG A 68 10.258 -4.551 -7.013 1.00 0.00 H new ATOM 0 HH22 ARG A 68 9.211 -4.554 -8.437 1.00 0.00 H new ATOM 1074 N GLN A 69 4.545 -7.025 -0.245 1.00 0.00 N ATOM 1075 CA GLN A 69 3.932 -7.845 0.807 1.00 0.00 C ATOM 1076 C GLN A 69 2.620 -7.229 1.323 1.00 0.00 C ATOM 1077 O GLN A 69 1.589 -7.901 1.300 1.00 0.00 O ATOM 1078 CB GLN A 69 4.940 -8.053 1.953 1.00 0.00 C ATOM 1079 CG GLN A 69 4.833 -9.418 2.648 1.00 0.00 C ATOM 1080 CD GLN A 69 3.545 -9.728 3.418 1.00 0.00 C ATOM 1081 OE1 GLN A 69 3.082 -10.857 3.434 1.00 0.00 O ATOM 1082 NE2 GLN A 69 2.924 -8.799 4.113 1.00 0.00 N ATOM 0 H GLN A 69 5.420 -6.599 0.060 1.00 0.00 H new ATOM 0 HA GLN A 69 3.674 -8.814 0.380 1.00 0.00 H new ATOM 0 HB2 GLN A 69 5.950 -7.937 1.559 1.00 0.00 H new ATOM 0 HB3 GLN A 69 4.796 -7.268 2.695 1.00 0.00 H new ATOM 0 HG2 GLN A 69 4.965 -10.191 1.891 1.00 0.00 H new ATOM 0 HG3 GLN A 69 5.668 -9.507 3.343 1.00 0.00 H new ATOM 0 HE21 GLN A 69 3.283 -7.844 4.123 1.00 0.00 H new ATOM 0 HE22 GLN A 69 2.084 -9.034 4.642 1.00 0.00 H new ATOM 1091 N ILE A 70 2.636 -5.966 1.782 1.00 0.00 N ATOM 1092 CA ILE A 70 1.430 -5.272 2.288 1.00 0.00 C ATOM 1093 C ILE A 70 0.254 -5.325 1.300 1.00 0.00 C ATOM 1094 O ILE A 70 -0.878 -5.601 1.706 1.00 0.00 O ATOM 1095 CB ILE A 70 1.680 -3.823 2.790 1.00 0.00 C ATOM 1096 CG1 ILE A 70 2.821 -3.052 2.108 1.00 0.00 C ATOM 1097 CG2 ILE A 70 1.833 -3.828 4.316 1.00 0.00 C ATOM 1098 CD1 ILE A 70 2.845 -1.537 2.371 1.00 0.00 C ATOM 0 H ILE A 70 3.481 -5.395 1.814 1.00 0.00 H new ATOM 0 HA ILE A 70 1.149 -5.845 3.171 1.00 0.00 H new ATOM 0 HB ILE A 70 0.795 -3.259 2.494 1.00 0.00 H new ATOM 0 HG12 ILE A 70 3.770 -3.475 2.437 1.00 0.00 H new ATOM 0 HG13 ILE A 70 2.755 -3.216 1.032 1.00 0.00 H new ATOM 0 HG21 ILE A 70 2.008 -2.811 4.667 1.00 0.00 H new ATOM 0 HG22 ILE A 70 0.923 -4.217 4.772 1.00 0.00 H new ATOM 0 HG23 ILE A 70 2.677 -4.459 4.595 1.00 0.00 H new ATOM 0 HD11 ILE A 70 3.688 -1.090 1.844 1.00 0.00 H new ATOM 0 HD12 ILE A 70 1.917 -1.091 2.014 1.00 0.00 H new ATOM 0 HD13 ILE A 70 2.947 -1.355 3.441 1.00 0.00 H new ATOM 1110 N ILE A 71 0.508 -5.091 0.009 1.00 0.00 N ATOM 1111 CA ILE A 71 -0.528 -5.169 -1.033 1.00 0.00 C ATOM 1112 C ILE A 71 -0.983 -6.611 -1.262 1.00 0.00 C ATOM 1113 O ILE A 71 -2.187 -6.839 -1.382 1.00 0.00 O ATOM 1114 CB ILE A 71 -0.086 -4.447 -2.318 1.00 0.00 C ATOM 1115 CG1 ILE A 71 0.266 -2.975 -2.011 1.00 0.00 C ATOM 1116 CG2 ILE A 71 -1.167 -4.496 -3.413 1.00 0.00 C ATOM 1117 CD1 ILE A 71 -0.763 -2.201 -1.161 1.00 0.00 C ATOM 0 H ILE A 71 1.432 -4.843 -0.345 1.00 0.00 H new ATOM 0 HA ILE A 71 -1.410 -4.634 -0.681 1.00 0.00 H new ATOM 0 HB ILE A 71 0.795 -4.970 -2.691 1.00 0.00 H new ATOM 0 HG12 ILE A 71 1.226 -2.951 -1.496 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.398 -2.448 -2.956 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -0.810 -3.974 -4.301 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -1.383 -5.534 -3.665 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -2.075 -4.015 -3.050 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -0.414 -1.180 -1.008 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -1.722 -2.183 -1.678 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.881 -2.693 -0.196 1.00 0.00 H new ATOM 1129 N SER A 72 -0.066 -7.590 -1.257 1.00 0.00 N ATOM 1130 CA SER A 72 -0.427 -9.018 -1.332 1.00 0.00 C ATOM 1131 C SER A 72 -1.436 -9.358 -0.234 1.00 0.00 C ATOM 1132 O SER A 72 -2.491 -9.920 -0.533 1.00 0.00 O ATOM 1133 CB SER A 72 0.778 -9.954 -1.202 1.00 0.00 C ATOM 1134 OG SER A 72 1.736 -9.706 -2.202 1.00 0.00 O ATOM 0 H SER A 72 0.938 -7.419 -1.201 1.00 0.00 H new ATOM 0 HA SER A 72 -0.858 -9.174 -2.321 1.00 0.00 H new ATOM 0 HB2 SER A 72 1.234 -9.827 -0.220 1.00 0.00 H new ATOM 0 HB3 SER A 72 0.444 -10.990 -1.266 1.00 0.00 H new ATOM 0 HG SER A 72 2.133 -8.821 -2.063 1.00 0.00 H new ATOM 1140 N HIS A 73 -1.142 -8.987 1.020 1.00 0.00 N ATOM 1141 CA HIS A 73 -2.039 -9.163 2.160 1.00 0.00 C ATOM 1142 C HIS A 73 -3.406 -8.508 1.884 1.00 0.00 C ATOM 1143 O HIS A 73 -4.389 -9.242 1.806 1.00 0.00 O ATOM 1144 CB HIS A 73 -1.377 -8.678 3.464 1.00 0.00 C ATOM 1145 CG HIS A 73 -2.359 -8.446 4.598 1.00 0.00 C ATOM 1146 ND1 HIS A 73 -3.438 -9.238 4.912 1.00 0.00 N flip ATOM 1147 CD2 HIS A 73 -2.525 -7.249 5.265 1.00 0.00 C flip ATOM 1148 CE1 HIS A 73 -4.307 -8.480 5.712 1.00 0.00 C flip ATOM 1149 NE2 HIS A 73 -3.709 -7.291 5.903 1.00 0.00 N flip ATOM 0 H HIS A 73 -0.256 -8.548 1.270 1.00 0.00 H new ATOM 0 HA HIS A 73 -2.232 -10.227 2.300 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -0.637 -9.413 3.781 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -0.840 -7.751 3.265 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -1.828 -6.424 5.273 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -5.267 -8.790 6.098 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -4.099 -6.527 6.455 1.00 0.00 H new ATOM 1157 N TRP A 74 -3.494 -7.178 1.714 1.00 0.00 N ATOM 1158 CA TRP A 74 -4.780 -6.490 1.488 1.00 0.00 C ATOM 1159 C TRP A 74 -5.617 -7.081 0.340 1.00 0.00 C ATOM 1160 O TRP A 74 -6.825 -7.283 0.490 1.00 0.00 O ATOM 1161 CB TRP A 74 -4.607 -4.973 1.307 1.00 0.00 C ATOM 1162 CG TRP A 74 -5.904 -4.206 1.354 1.00 0.00 C ATOM 1163 CD1 TRP A 74 -6.836 -4.348 2.324 1.00 0.00 C ATOM 1164 CD2 TRP A 74 -6.460 -3.215 0.426 1.00 0.00 C ATOM 1165 NE1 TRP A 74 -7.927 -3.549 2.057 1.00 0.00 N ATOM 1166 CE2 TRP A 74 -7.744 -2.814 0.911 1.00 0.00 C ATOM 1167 CE3 TRP A 74 -6.023 -2.603 -0.772 1.00 0.00 C ATOM 1168 CZ2 TRP A 74 -8.541 -1.858 0.266 1.00 0.00 C ATOM 1169 CZ3 TRP A 74 -6.807 -1.625 -1.417 1.00 0.00 C ATOM 1170 CH2 TRP A 74 -8.058 -1.245 -0.895 1.00 0.00 C ATOM 0 H TRP A 74 -2.687 -6.554 1.729 1.00 0.00 H new ATOM 0 HA TRP A 74 -5.346 -6.666 2.403 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -3.944 -4.596 2.086 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -4.117 -4.783 0.352 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -6.739 -4.994 3.184 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -8.765 -3.509 2.637 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -5.073 -2.890 -1.199 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -9.513 -1.599 0.659 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -6.444 -1.162 -2.322 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -8.643 -0.483 -1.389 1.00 0.00 H new ATOM 1181 N LYS A 75 -4.989 -7.376 -0.809 1.00 0.00 N ATOM 1182 CA LYS A 75 -5.638 -7.977 -1.986 1.00 0.00 C ATOM 1183 C LYS A 75 -6.276 -9.338 -1.662 1.00 0.00 C ATOM 1184 O LYS A 75 -7.415 -9.597 -2.056 1.00 0.00 O ATOM 1185 CB LYS A 75 -4.618 -8.073 -3.135 1.00 0.00 C ATOM 1186 CG LYS A 75 -5.282 -8.437 -4.470 1.00 0.00 C ATOM 1187 CD LYS A 75 -4.236 -8.548 -5.589 1.00 0.00 C ATOM 1188 CE LYS A 75 -4.870 -8.700 -6.981 1.00 0.00 C ATOM 1189 NZ LYS A 75 -5.611 -9.982 -7.135 1.00 0.00 N ATOM 0 H LYS A 75 -3.994 -7.200 -0.949 1.00 0.00 H new ATOM 0 HA LYS A 75 -6.460 -7.333 -2.301 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -4.098 -7.121 -3.238 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -3.866 -8.822 -2.889 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -5.815 -9.382 -4.370 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -6.021 -7.680 -4.731 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -3.602 -7.661 -5.578 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -3.590 -9.404 -5.393 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -5.551 -7.867 -7.159 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -4.090 -8.642 -7.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -6.019 -10.035 -8.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -4.959 -10.779 -6.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -6.374 -10.029 -6.430 1.00 0.00 H new ATOM 1203 N ASN A 76 -5.545 -10.207 -0.959 1.00 0.00 N ATOM 1204 CA ASN A 76 -5.992 -11.545 -0.554 1.00 0.00 C ATOM 1205 C ASN A 76 -7.022 -11.528 0.595 1.00 0.00 C ATOM 1206 O ASN A 76 -7.954 -12.337 0.593 1.00 0.00 O ATOM 1207 CB ASN A 76 -4.773 -12.405 -0.186 1.00 0.00 C ATOM 1208 CG ASN A 76 -4.080 -12.943 -1.426 1.00 0.00 C ATOM 1209 OD1 ASN A 76 -4.293 -14.071 -1.842 1.00 0.00 O ATOM 1210 ND2 ASN A 76 -3.226 -12.170 -2.047 1.00 0.00 N ATOM 0 H ASN A 76 -4.598 -9.994 -0.646 1.00 0.00 H new ATOM 0 HA ASN A 76 -6.511 -11.982 -1.407 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -4.069 -11.811 0.397 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -5.089 -13.235 0.445 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -2.740 -12.510 -2.877 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -3.046 -11.227 -1.701 1.00 0.00 H new ATOM 1217 N CYS A 77 -6.836 -10.655 1.589 1.00 0.00 N ATOM 1218 CA CYS A 77 -7.666 -10.540 2.784 1.00 0.00 C ATOM 1219 C CYS A 77 -9.152 -10.265 2.467 1.00 0.00 C ATOM 1220 O CYS A 77 -9.527 -9.289 1.806 1.00 0.00 O ATOM 1221 CB CYS A 77 -7.052 -9.484 3.717 1.00 0.00 C ATOM 1222 SG CYS A 77 -7.688 -9.636 5.418 1.00 0.00 S ATOM 0 H CYS A 77 -6.070 -9.982 1.579 1.00 0.00 H new ATOM 0 HA CYS A 77 -7.673 -11.503 3.295 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -5.967 -9.591 3.723 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -7.272 -8.488 3.334 1.00 0.00 H new ATOM 0 HG CYS A 77 -7.561 -8.497 6.032 1.00 0.00 H new ATOM 1227 N THR A 78 -10.000 -11.164 2.966 1.00 0.00 N ATOM 1228 CA THR A 78 -11.475 -11.172 2.878 1.00 0.00 C ATOM 1229 C THR A 78 -12.088 -11.493 4.254 1.00 0.00 C ATOM 1230 O THR A 78 -13.219 -11.975 4.373 1.00 0.00 O ATOM 1231 CB THR A 78 -11.962 -12.152 1.790 1.00 0.00 C ATOM 1232 OG1 THR A 78 -11.301 -13.403 1.876 1.00 0.00 O ATOM 1233 CG2 THR A 78 -11.731 -11.604 0.380 1.00 0.00 C ATOM 0 H THR A 78 -9.655 -11.972 3.484 1.00 0.00 H new ATOM 0 HA THR A 78 -11.813 -10.178 2.584 1.00 0.00 H new ATOM 0 HB THR A 78 -13.030 -12.279 1.968 1.00 0.00 H new ATOM 0 HG1 THR A 78 -11.635 -13.999 1.173 1.00 0.00 H new ATOM 0 HG21 THR A 78 -12.088 -12.326 -0.354 1.00 0.00 H new ATOM 0 HG22 THR A 78 -12.274 -10.666 0.261 1.00 0.00 H new ATOM 0 HG23 THR A 78 -10.666 -11.429 0.228 1.00 0.00 H new ATOM 1241 N ARG A 79 -11.326 -11.201 5.317 1.00 0.00 N ATOM 1242 CA ARG A 79 -11.632 -11.393 6.741 1.00 0.00 C ATOM 1243 C ARG A 79 -12.804 -10.523 7.218 1.00 0.00 C ATOM 1244 O ARG A 79 -13.003 -9.408 6.728 1.00 0.00 O ATOM 1245 CB ARG A 79 -10.332 -11.076 7.509 1.00 0.00 C ATOM 1246 CG ARG A 79 -10.391 -11.328 9.024 1.00 0.00 C ATOM 1247 CD ARG A 79 -9.031 -11.418 9.754 1.00 0.00 C ATOM 1248 NE ARG A 79 -7.869 -10.938 8.977 1.00 0.00 N ATOM 1249 CZ ARG A 79 -6.945 -11.645 8.358 1.00 0.00 C ATOM 1250 NH1 ARG A 79 -6.911 -12.951 8.374 1.00 0.00 N ATOM 1251 NH2 ARG A 79 -6.017 -11.033 7.702 1.00 0.00 N ATOM 0 H ARG A 79 -10.401 -10.789 5.192 1.00 0.00 H new ATOM 0 HA ARG A 79 -11.958 -12.417 6.923 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -9.525 -11.675 7.088 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -10.075 -10.030 7.340 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -10.974 -10.529 9.482 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -10.934 -12.257 9.196 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -9.093 -10.843 10.678 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -8.856 -12.456 10.036 1.00 0.00 H new ATOM 0 HE ARG A 79 -7.769 -9.925 8.911 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -7.624 -13.474 8.884 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -6.172 -13.448 7.877 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -6.005 -10.014 7.667 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -5.296 -11.569 7.219 1.00 0.00 H new ATOM 1265 N HIS A 80 -13.549 -11.024 8.211 1.00 0.00 N ATOM 1266 CA HIS A 80 -14.667 -10.336 8.888 1.00 0.00 C ATOM 1267 C HIS A 80 -14.247 -8.940 9.374 1.00 0.00 C ATOM 1268 O HIS A 80 -14.905 -7.948 9.065 1.00 0.00 O ATOM 1269 CB HIS A 80 -15.236 -11.219 10.018 1.00 0.00 C ATOM 1270 CG HIS A 80 -14.206 -11.927 10.873 1.00 0.00 C ATOM 1271 ND1 HIS A 80 -13.548 -11.408 11.975 1.00 0.00 N ATOM 1272 CD2 HIS A 80 -13.774 -13.213 10.691 1.00 0.00 C ATOM 1273 CE1 HIS A 80 -12.716 -12.359 12.442 1.00 0.00 C ATOM 1274 NE2 HIS A 80 -12.836 -13.466 11.678 1.00 0.00 N ATOM 0 H HIS A 80 -13.386 -11.959 8.584 1.00 0.00 H new ATOM 0 HA HIS A 80 -15.472 -10.178 8.170 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -15.854 -10.597 10.665 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -15.892 -11.968 9.575 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -13.671 -10.473 12.364 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -14.102 -13.899 9.924 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -12.058 -12.253 13.292 1.00 0.00 H new ATOM 1283 N ASP A 81 -13.124 -8.870 10.090 1.00 0.00 N ATOM 1284 CA ASP A 81 -12.470 -7.642 10.545 1.00 0.00 C ATOM 1285 C ASP A 81 -10.954 -7.863 10.723 1.00 0.00 C ATOM 1286 O ASP A 81 -10.522 -8.788 11.415 1.00 0.00 O ATOM 1287 CB ASP A 81 -13.128 -7.063 11.812 1.00 0.00 C ATOM 1288 CG ASP A 81 -12.888 -7.880 13.091 1.00 0.00 C ATOM 1289 OD1 ASP A 81 -13.502 -8.965 13.234 1.00 0.00 O ATOM 1290 OD2 ASP A 81 -12.128 -7.418 13.976 1.00 0.00 O ATOM 0 H ASP A 81 -12.622 -9.708 10.382 1.00 0.00 H new ATOM 0 HA ASP A 81 -12.605 -6.890 9.768 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -12.755 -6.051 11.968 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -14.202 -6.984 11.644 1.00 0.00 H new ATOM 1295 N CYS A 82 -10.164 -6.997 10.089 1.00 0.00 N ATOM 1296 CA CYS A 82 -8.700 -6.919 10.086 1.00 0.00 C ATOM 1297 C CYS A 82 -8.355 -5.435 10.389 1.00 0.00 C ATOM 1298 O CYS A 82 -9.108 -4.550 9.958 1.00 0.00 O ATOM 1299 CB CYS A 82 -8.199 -7.382 8.701 1.00 0.00 C ATOM 1300 SG CYS A 82 -6.548 -8.162 8.654 1.00 0.00 S ATOM 0 H CYS A 82 -10.569 -6.262 9.509 1.00 0.00 H new ATOM 0 HA CYS A 82 -8.221 -7.557 10.828 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -8.923 -8.089 8.295 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -8.188 -6.519 8.035 1.00 0.00 H new ATOM 0 HG CYS A 82 -5.669 -7.293 8.252 1.00 0.00 H new ATOM 1305 N PRO A 83 -7.280 -5.116 11.135 1.00 0.00 N ATOM 1306 CA PRO A 83 -6.942 -3.751 11.571 1.00 0.00 C ATOM 1307 C PRO A 83 -6.619 -2.712 10.476 1.00 0.00 C ATOM 1308 O PRO A 83 -6.254 -1.581 10.815 1.00 0.00 O ATOM 1309 CB PRO A 83 -5.778 -3.932 12.557 1.00 0.00 C ATOM 1310 CG PRO A 83 -5.123 -5.225 12.086 1.00 0.00 C ATOM 1311 CD PRO A 83 -6.333 -6.062 11.700 1.00 0.00 C ATOM 0 HA PRO A 83 -7.833 -3.302 12.010 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -5.084 -3.092 12.520 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -6.130 -4.010 13.586 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -4.453 -5.061 11.242 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -4.534 -5.696 12.873 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -6.066 -6.832 10.977 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -6.754 -6.571 12.567 1.00 0.00 H new ATOM 1319 N VAL A 84 -6.764 -3.036 9.186 1.00 0.00 N ATOM 1320 CA VAL A 84 -6.558 -2.095 8.067 1.00 0.00 C ATOM 1321 C VAL A 84 -7.616 -2.338 6.987 1.00 0.00 C ATOM 1322 O VAL A 84 -8.288 -1.408 6.542 1.00 0.00 O ATOM 1323 CB VAL A 84 -5.159 -2.185 7.422 1.00 0.00 C ATOM 1324 CG1 VAL A 84 -4.795 -0.793 6.895 1.00 0.00 C ATOM 1325 CG2 VAL A 84 -4.065 -2.640 8.381 1.00 0.00 C ATOM 0 H VAL A 84 -7.032 -3.972 8.880 1.00 0.00 H new ATOM 0 HA VAL A 84 -6.647 -1.096 8.494 1.00 0.00 H new ATOM 0 HB VAL A 84 -5.214 -2.935 6.633 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.809 -0.826 6.432 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -5.532 -0.480 6.156 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -4.785 -0.082 7.721 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.112 -2.678 7.854 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.993 -1.937 9.211 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -4.307 -3.631 8.765 1.00 0.00 H new ATOM 1335 N CYS A 85 -7.766 -3.592 6.565 1.00 0.00 N ATOM 1336 CA CYS A 85 -8.685 -4.077 5.550 1.00 0.00 C ATOM 1337 C CYS A 85 -10.130 -3.636 5.820 1.00 0.00 C ATOM 1338 O CYS A 85 -10.778 -3.096 4.923 1.00 0.00 O ATOM 1339 CB CYS A 85 -8.544 -5.607 5.468 1.00 0.00 C ATOM 1340 SG CYS A 85 -6.808 -6.134 5.680 1.00 0.00 S ATOM 0 H CYS A 85 -7.204 -4.348 6.956 1.00 0.00 H new ATOM 0 HA CYS A 85 -8.430 -3.639 4.585 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -9.162 -6.072 6.236 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -8.916 -5.956 4.505 1.00 0.00 H new ATOM 0 HG CYS A 85 -6.708 -6.882 6.739 1.00 0.00 H new ATOM 1345 N LEU A 86 -10.625 -3.851 7.048 1.00 0.00 N ATOM 1346 CA LEU A 86 -11.968 -3.455 7.481 1.00 0.00 C ATOM 1347 C LEU A 86 -12.273 -1.968 7.179 1.00 0.00 C ATOM 1348 O LEU A 86 -13.162 -1.737 6.356 1.00 0.00 O ATOM 1349 CB LEU A 86 -12.206 -3.908 8.937 1.00 0.00 C ATOM 1350 CG LEU A 86 -13.644 -3.804 9.483 1.00 0.00 C ATOM 1351 CD1 LEU A 86 -14.071 -2.377 9.828 1.00 0.00 C ATOM 1352 CD2 LEU A 86 -14.667 -4.434 8.537 1.00 0.00 C ATOM 0 H LEU A 86 -10.089 -4.315 7.781 1.00 0.00 H new ATOM 0 HA LEU A 86 -12.714 -3.979 6.883 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -11.886 -4.946 9.024 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -11.556 -3.319 9.584 1.00 0.00 H new ATOM 0 HG LEU A 86 -13.625 -4.370 10.414 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -15.093 -2.384 10.206 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -13.406 -1.972 10.591 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -14.019 -1.755 8.934 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -15.665 -4.337 8.964 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -14.633 -3.926 7.573 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -14.433 -5.490 8.399 1.00 0.00 H new ATOM 1364 N PRO A 87 -11.594 -0.957 7.769 1.00 0.00 N ATOM 1365 CA PRO A 87 -11.868 0.452 7.465 1.00 0.00 C ATOM 1366 C PRO A 87 -11.686 0.801 5.974 1.00 0.00 C ATOM 1367 O PRO A 87 -12.512 1.525 5.418 1.00 0.00 O ATOM 1368 CB PRO A 87 -10.984 1.285 8.399 1.00 0.00 C ATOM 1369 CG PRO A 87 -9.871 0.327 8.820 1.00 0.00 C ATOM 1370 CD PRO A 87 -10.544 -1.045 8.776 1.00 0.00 C ATOM 0 HA PRO A 87 -12.919 0.679 7.644 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -10.583 2.161 7.890 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -11.545 1.646 9.261 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -9.020 0.378 8.141 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -9.498 0.559 9.818 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -9.824 -1.822 8.520 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -10.960 -1.305 9.749 1.00 0.00 H new ATOM 1378 N LEU A 88 -10.648 0.280 5.302 1.00 0.00 N ATOM 1379 CA LEU A 88 -10.423 0.476 3.857 1.00 0.00 C ATOM 1380 C LEU A 88 -11.630 0.000 3.022 1.00 0.00 C ATOM 1381 O LEU A 88 -12.086 0.722 2.132 1.00 0.00 O ATOM 1382 CB LEU A 88 -9.120 -0.213 3.427 1.00 0.00 C ATOM 1383 CG LEU A 88 -7.832 0.460 3.938 1.00 0.00 C ATOM 1384 CD1 LEU A 88 -6.647 -0.447 3.617 1.00 0.00 C ATOM 1385 CD2 LEU A 88 -7.587 1.821 3.279 1.00 0.00 C ATOM 0 H LEU A 88 -9.933 -0.295 5.748 1.00 0.00 H new ATOM 0 HA LEU A 88 -10.320 1.544 3.667 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -9.138 -1.244 3.779 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -9.087 -0.248 2.338 1.00 0.00 H new ATOM 0 HG LEU A 88 -7.943 0.617 5.011 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -5.727 0.017 3.973 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -6.782 -1.410 4.109 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -6.584 -0.596 2.539 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.668 2.255 3.672 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -7.495 1.692 2.201 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -8.423 2.486 3.495 1.00 0.00 H new ATOM 1397 N LYS A 89 -12.168 -1.191 3.318 1.00 0.00 N ATOM 1398 CA LYS A 89 -13.368 -1.775 2.695 1.00 0.00 C ATOM 1399 C LYS A 89 -14.615 -0.942 3.008 1.00 0.00 C ATOM 1400 O LYS A 89 -15.350 -0.559 2.095 1.00 0.00 O ATOM 1401 CB LYS A 89 -13.539 -3.230 3.173 1.00 0.00 C ATOM 1402 CG LYS A 89 -14.746 -3.928 2.522 1.00 0.00 C ATOM 1403 CD LYS A 89 -15.051 -5.252 3.232 1.00 0.00 C ATOM 1404 CE LYS A 89 -16.246 -5.994 2.611 1.00 0.00 C ATOM 1405 NZ LYS A 89 -15.956 -6.501 1.241 1.00 0.00 N ATOM 0 H LYS A 89 -11.763 -1.801 4.028 1.00 0.00 H new ATOM 0 HA LYS A 89 -13.241 -1.770 1.612 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -12.633 -3.792 2.946 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -13.658 -3.241 4.256 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -15.618 -3.276 2.567 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -14.541 -4.113 1.468 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -14.170 -5.893 3.193 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -15.256 -5.057 4.285 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -16.523 -6.830 3.253 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -17.105 -5.324 2.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -16.793 -6.993 0.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -15.718 -5.703 0.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -15.154 -7.162 1.278 1.00 0.00 H new ATOM 1731 N GLY B 114 8.943 7.851 11.897 1.00 0.00 N ATOM 1732 CA GLY B 114 8.805 8.605 10.642 1.00 0.00 C ATOM 1733 C GLY B 114 8.429 7.673 9.487 1.00 0.00 C ATOM 1734 O GLY B 114 7.262 7.564 9.108 1.00 0.00 O ATOM 0 HA2 GLY B 114 8.042 9.375 10.757 1.00 0.00 H new ATOM 0 HA3 GLY B 114 9.741 9.115 10.414 1.00 0.00 H new ATOM 1738 N LEU B 115 9.427 6.957 8.970 1.00 0.00 N ATOM 1739 CA LEU B 115 9.337 5.929 7.931 1.00 0.00 C ATOM 1740 C LEU B 115 10.257 4.759 8.332 1.00 0.00 C ATOM 1741 O LEU B 115 11.461 4.977 8.513 1.00 0.00 O ATOM 1742 CB LEU B 115 9.739 6.507 6.562 1.00 0.00 C ATOM 1743 CG LEU B 115 8.618 7.281 5.845 1.00 0.00 C ATOM 1744 CD1 LEU B 115 9.201 7.961 4.609 1.00 0.00 C ATOM 1745 CD2 LEU B 115 7.497 6.352 5.378 1.00 0.00 C ATOM 0 H LEU B 115 10.387 7.089 9.288 1.00 0.00 H new ATOM 0 HA LEU B 115 8.311 5.573 7.841 1.00 0.00 H new ATOM 0 HB2 LEU B 115 10.593 7.171 6.698 1.00 0.00 H new ATOM 0 HB3 LEU B 115 10.069 5.691 5.919 1.00 0.00 H new ATOM 0 HG LEU B 115 8.208 8.004 6.551 1.00 0.00 H new ATOM 0 HD11 LEU B 115 8.415 8.513 4.093 1.00 0.00 H new ATOM 0 HD12 LEU B 115 9.990 8.650 4.911 1.00 0.00 H new ATOM 0 HD13 LEU B 115 9.615 7.207 3.940 1.00 0.00 H new ATOM 0 HD21 LEU B 115 6.725 6.936 4.877 1.00 0.00 H new ATOM 0 HD22 LEU B 115 7.901 5.614 4.685 1.00 0.00 H new ATOM 0 HD23 LEU B 115 7.064 5.842 6.239 1.00 0.00 H new ATOM 1757 N PRO B 116 9.728 3.532 8.502 1.00 0.00 N ATOM 1758 CA PRO B 116 10.520 2.383 8.933 1.00 0.00 C ATOM 1759 C PRO B 116 11.334 1.753 7.796 1.00 0.00 C ATOM 1760 O PRO B 116 11.181 2.087 6.617 1.00 0.00 O ATOM 1761 CB PRO B 116 9.474 1.396 9.462 1.00 0.00 C ATOM 1762 CG PRO B 116 8.294 1.623 8.519 1.00 0.00 C ATOM 1763 CD PRO B 116 8.333 3.140 8.326 1.00 0.00 C ATOM 0 HA PRO B 116 11.265 2.671 9.675 1.00 0.00 H new ATOM 0 HB2 PRO B 116 9.832 0.367 9.423 1.00 0.00 H new ATOM 0 HB3 PRO B 116 9.210 1.603 10.499 1.00 0.00 H new ATOM 0 HG2 PRO B 116 8.415 1.088 7.577 1.00 0.00 H new ATOM 0 HG3 PRO B 116 7.352 1.291 8.956 1.00 0.00 H new ATOM 0 HD2 PRO B 116 7.972 3.417 7.335 1.00 0.00 H new ATOM 0 HD3 PRO B 116 7.692 3.642 9.051 1.00 0.00 H new ATOM 1771 N GLN B 117 12.150 0.767 8.167 1.00 0.00 N ATOM 1772 CA GLN B 117 12.920 -0.099 7.273 1.00 0.00 C ATOM 1773 C GLN B 117 12.518 -1.550 7.559 1.00 0.00 C ATOM 1774 O GLN B 117 13.295 -2.367 8.063 1.00 0.00 O ATOM 1775 CB GLN B 117 14.432 0.164 7.391 1.00 0.00 C ATOM 1776 CG GLN B 117 14.841 1.350 6.513 1.00 0.00 C ATOM 1777 CD GLN B 117 16.318 1.698 6.680 1.00 0.00 C ATOM 1778 OE1 GLN B 117 16.696 2.592 7.428 1.00 0.00 O ATOM 1779 NE2 GLN B 117 17.213 1.012 5.998 1.00 0.00 N ATOM 0 H GLN B 117 12.300 0.538 9.150 1.00 0.00 H new ATOM 0 HA GLN B 117 12.689 0.121 6.231 1.00 0.00 H new ATOM 0 HB2 GLN B 117 14.692 0.367 8.430 1.00 0.00 H new ATOM 0 HB3 GLN B 117 14.986 -0.726 7.092 1.00 0.00 H new ATOM 0 HG2 GLN B 117 14.639 1.115 5.468 1.00 0.00 H new ATOM 0 HG3 GLN B 117 14.232 2.218 6.768 1.00 0.00 H new ATOM 0 HE21 GLN B 117 16.914 0.265 5.371 1.00 0.00 H new ATOM 0 HE22 GLN B 117 18.205 1.228 6.097 1.00 0.00 H new ATOM 1788 N LEU B 118 11.267 -1.858 7.204 1.00 0.00 N ATOM 1789 CA LEU B 118 10.704 -3.206 7.259 1.00 0.00 C ATOM 1790 C LEU B 118 11.357 -4.051 6.145 1.00 0.00 C ATOM 1791 O LEU B 118 12.131 -3.555 5.318 1.00 0.00 O ATOM 1792 CB LEU B 118 9.174 -3.143 7.061 1.00 0.00 C ATOM 1793 CG LEU B 118 8.370 -2.402 8.144 1.00 0.00 C ATOM 1794 CD1 LEU B 118 6.950 -2.165 7.635 1.00 0.00 C ATOM 1795 CD2 LEU B 118 8.267 -3.185 9.453 1.00 0.00 C ATOM 0 H LEU B 118 10.605 -1.161 6.863 1.00 0.00 H new ATOM 0 HA LEU B 118 10.904 -3.660 8.230 1.00 0.00 H new ATOM 0 HB2 LEU B 118 8.974 -2.666 6.102 1.00 0.00 H new ATOM 0 HB3 LEU B 118 8.797 -4.163 6.995 1.00 0.00 H new ATOM 0 HG LEU B 118 8.898 -1.470 8.345 1.00 0.00 H new ATOM 0 HD11 LEU B 118 6.373 -1.640 8.397 1.00 0.00 H new ATOM 0 HD12 LEU B 118 6.985 -1.563 6.727 1.00 0.00 H new ATOM 0 HD13 LEU B 118 6.477 -3.123 7.417 1.00 0.00 H new ATOM 0 HD21 LEU B 118 7.689 -2.610 10.176 1.00 0.00 H new ATOM 0 HD22 LEU B 118 7.772 -4.139 9.269 1.00 0.00 H new ATOM 0 HD23 LEU B 118 9.266 -3.365 9.849 1.00 0.00 H new ATOM 1807 N THR B 119 11.026 -5.335 6.099 1.00 0.00 N ATOM 1808 CA THR B 119 11.491 -6.277 5.075 1.00 0.00 C ATOM 1809 C THR B 119 10.351 -7.215 4.686 1.00 0.00 C ATOM 1810 O THR B 119 9.330 -7.280 5.378 1.00 0.00 O ATOM 1811 CB THR B 119 12.710 -7.086 5.559 1.00 0.00 C ATOM 1812 OG1 THR B 119 12.375 -7.903 6.660 1.00 0.00 O ATOM 1813 CG2 THR B 119 13.909 -6.208 5.937 1.00 0.00 C ATOM 0 H THR B 119 10.411 -5.767 6.789 1.00 0.00 H new ATOM 0 HA THR B 119 11.805 -5.704 4.203 1.00 0.00 H new ATOM 0 HB THR B 119 13.004 -7.704 4.710 1.00 0.00 H new ATOM 0 HG1 THR B 119 12.235 -7.343 7.452 1.00 0.00 H new ATOM 0 HG21 THR B 119 14.733 -6.840 6.269 1.00 0.00 H new ATOM 0 HG22 THR B 119 14.224 -5.628 5.069 1.00 0.00 H new ATOM 0 HG23 THR B 119 13.624 -5.530 6.742 1.00 0.00 H new ATOM 1821 N SER B 120 10.525 -7.979 3.601 1.00 0.00 N ATOM 1822 CA SER B 120 9.550 -9.001 3.190 1.00 0.00 C ATOM 1823 C SER B 120 9.307 -9.972 4.352 1.00 0.00 C ATOM 1824 O SER B 120 8.159 -10.204 4.720 1.00 0.00 O ATOM 1825 CB SER B 120 9.995 -9.737 1.926 1.00 0.00 C ATOM 1826 OG SER B 120 11.317 -10.241 2.067 1.00 0.00 O ATOM 0 H SER B 120 11.337 -7.909 2.987 1.00 0.00 H new ATOM 0 HA SER B 120 8.611 -8.506 2.942 1.00 0.00 H new ATOM 0 HB2 SER B 120 9.309 -10.559 1.719 1.00 0.00 H new ATOM 0 HB3 SER B 120 9.949 -9.061 1.072 1.00 0.00 H new ATOM 0 HG SER B 120 11.805 -10.120 1.226 1.00 0.00 H new ATOM 1832 N TYR B 121 10.384 -10.461 4.981 1.00 0.00 N ATOM 1833 CA TYR B 121 10.379 -11.298 6.189 1.00 0.00 C ATOM 1834 C TYR B 121 9.503 -10.686 7.299 1.00 0.00 C ATOM 1835 O TYR B 121 8.544 -11.327 7.732 1.00 0.00 O ATOM 1836 CB TYR B 121 11.829 -11.541 6.657 1.00 0.00 C ATOM 1837 CG TYR B 121 12.001 -11.764 8.154 1.00 0.00 C ATOM 1838 CD1 TYR B 121 11.453 -12.905 8.777 1.00 0.00 C ATOM 1839 CD2 TYR B 121 12.653 -10.788 8.934 1.00 0.00 C ATOM 1840 CE1 TYR B 121 11.548 -13.060 10.176 1.00 0.00 C ATOM 1841 CE2 TYR B 121 12.754 -10.944 10.329 1.00 0.00 C ATOM 1842 CZ TYR B 121 12.199 -12.080 10.955 1.00 0.00 C ATOM 1843 OH TYR B 121 12.288 -12.216 12.308 1.00 0.00 O ATOM 0 H TYR B 121 11.329 -10.275 4.645 1.00 0.00 H new ATOM 0 HA TYR B 121 9.932 -12.263 5.948 1.00 0.00 H new ATOM 0 HB2 TYR B 121 12.223 -12.410 6.129 1.00 0.00 H new ATOM 0 HB3 TYR B 121 12.437 -10.686 6.362 1.00 0.00 H new ATOM 0 HD1 TYR B 121 10.960 -13.660 8.183 1.00 0.00 H new ATOM 0 HD2 TYR B 121 13.077 -9.916 8.459 1.00 0.00 H new ATOM 0 HE1 TYR B 121 11.122 -13.931 10.652 1.00 0.00 H new ATOM 0 HE2 TYR B 121 13.257 -10.193 10.921 1.00 0.00 H new ATOM 0 HH TYR B 121 12.770 -11.449 12.683 1.00 0.00 H new ATOM 1853 N ASP B 122 9.808 -9.461 7.753 1.00 0.00 N ATOM 1854 CA ASP B 122 9.044 -8.763 8.800 1.00 0.00 C ATOM 1855 C ASP B 122 7.545 -8.717 8.474 1.00 0.00 C ATOM 1856 O ASP B 122 6.710 -9.105 9.295 1.00 0.00 O ATOM 1857 CB ASP B 122 9.558 -7.328 9.010 1.00 0.00 C ATOM 1858 CG ASP B 122 10.913 -7.262 9.721 1.00 0.00 C ATOM 1859 OD1 ASP B 122 10.986 -7.656 10.910 1.00 0.00 O ATOM 1860 OD2 ASP B 122 11.886 -6.761 9.110 1.00 0.00 O ATOM 0 H ASP B 122 10.599 -8.922 7.401 1.00 0.00 H new ATOM 0 HA ASP B 122 9.188 -9.333 9.718 1.00 0.00 H new ATOM 0 HB2 ASP B 122 9.640 -6.835 8.041 1.00 0.00 H new ATOM 0 HB3 ASP B 122 8.824 -6.769 9.591 1.00 0.00 H new ATOM 1865 N CYS B 123 7.209 -8.242 7.274 1.00 0.00 N ATOM 1866 CA CYS B 123 5.841 -8.101 6.787 1.00 0.00 C ATOM 1867 C CYS B 123 5.104 -9.454 6.702 1.00 0.00 C ATOM 1868 O CYS B 123 4.008 -9.569 7.245 1.00 0.00 O ATOM 1869 CB CYS B 123 5.847 -7.328 5.463 1.00 0.00 C ATOM 1870 SG CYS B 123 6.561 -5.673 5.671 1.00 0.00 S ATOM 0 H CYS B 123 7.905 -7.936 6.595 1.00 0.00 H new ATOM 0 HA CYS B 123 5.267 -7.521 7.510 1.00 0.00 H new ATOM 0 HB2 CYS B 123 6.418 -7.882 4.718 1.00 0.00 H new ATOM 0 HB3 CYS B 123 4.828 -7.242 5.085 1.00 0.00 H new ATOM 0 HG CYS B 123 7.858 -5.754 5.650 1.00 0.00 H new ATOM 1876 N GLU B 124 5.690 -10.480 6.072 1.00 0.00 N ATOM 1877 CA GLU B 124 5.139 -11.845 5.966 1.00 0.00 C ATOM 1878 C GLU B 124 4.775 -12.420 7.345 1.00 0.00 C ATOM 1879 O GLU B 124 3.683 -12.957 7.542 1.00 0.00 O ATOM 1880 CB GLU B 124 6.138 -12.796 5.272 1.00 0.00 C ATOM 1881 CG GLU B 124 6.209 -12.649 3.746 1.00 0.00 C ATOM 1882 CD GLU B 124 7.273 -13.593 3.149 1.00 0.00 C ATOM 1883 OE1 GLU B 124 6.991 -14.806 2.992 1.00 0.00 O ATOM 1884 OE2 GLU B 124 8.396 -13.135 2.822 1.00 0.00 O ATOM 0 H GLU B 124 6.592 -10.384 5.605 1.00 0.00 H new ATOM 0 HA GLU B 124 4.232 -11.770 5.365 1.00 0.00 H new ATOM 0 HB2 GLU B 124 7.131 -12.623 5.687 1.00 0.00 H new ATOM 0 HB3 GLU B 124 5.867 -13.824 5.512 1.00 0.00 H new ATOM 0 HG2 GLU B 124 5.235 -12.871 3.310 1.00 0.00 H new ATOM 0 HG3 GLU B 124 6.447 -11.617 3.487 1.00 0.00 H new ATOM 1891 N VAL B 125 5.701 -12.310 8.299 1.00 0.00 N ATOM 1892 CA VAL B 125 5.580 -12.775 9.688 1.00 0.00 C ATOM 1893 C VAL B 125 4.469 -12.051 10.457 1.00 0.00 C ATOM 1894 O VAL B 125 3.640 -12.693 11.104 1.00 0.00 O ATOM 1895 CB VAL B 125 6.954 -12.623 10.377 1.00 0.00 C ATOM 1896 CG1 VAL B 125 6.925 -12.662 11.908 1.00 0.00 C ATOM 1897 CG2 VAL B 125 7.879 -13.742 9.886 1.00 0.00 C ATOM 0 H VAL B 125 6.604 -11.872 8.117 1.00 0.00 H new ATOM 0 HA VAL B 125 5.287 -13.825 9.685 1.00 0.00 H new ATOM 0 HB VAL B 125 7.309 -11.629 10.106 1.00 0.00 H new ATOM 0 HG11 VAL B 125 7.938 -12.547 12.294 1.00 0.00 H new ATOM 0 HG12 VAL B 125 6.300 -11.850 12.281 1.00 0.00 H new ATOM 0 HG13 VAL B 125 6.516 -13.616 12.240 1.00 0.00 H new ATOM 0 HG21 VAL B 125 8.853 -13.646 10.366 1.00 0.00 H new ATOM 0 HG22 VAL B 125 7.445 -14.710 10.138 1.00 0.00 H new ATOM 0 HG23 VAL B 125 7.998 -13.668 8.805 1.00 0.00 H new ATOM 1907 N ASN B 126 4.462 -10.716 10.429 1.00 0.00 N ATOM 1908 CA ASN B 126 3.518 -9.876 11.171 1.00 0.00 C ATOM 1909 C ASN B 126 2.107 -9.812 10.557 1.00 0.00 C ATOM 1910 O ASN B 126 1.128 -9.848 11.305 1.00 0.00 O ATOM 1911 CB ASN B 126 4.135 -8.482 11.346 1.00 0.00 C ATOM 1912 CG ASN B 126 5.211 -8.465 12.415 1.00 0.00 C ATOM 1913 OD1 ASN B 126 4.963 -8.143 13.563 1.00 0.00 O ATOM 1914 ND2 ASN B 126 6.426 -8.849 12.104 1.00 0.00 N ATOM 0 H ASN B 126 5.128 -10.176 9.877 1.00 0.00 H new ATOM 0 HA ASN B 126 3.358 -10.340 12.144 1.00 0.00 H new ATOM 0 HB2 ASN B 126 4.561 -8.153 10.398 1.00 0.00 H new ATOM 0 HB3 ASN B 126 3.353 -7.770 11.608 1.00 0.00 H new ATOM 0 HD21 ASN B 126 7.152 -8.876 12.820 1.00 0.00 H new ATOM 0 HD22 ASN B 126 6.645 -9.121 11.146 1.00 0.00 H new ATOM 1921 N ALA B 127 1.988 -9.716 9.230 1.00 0.00 N ATOM 1922 CA ALA B 127 0.729 -9.633 8.482 1.00 0.00 C ATOM 1923 C ALA B 127 0.715 -10.627 7.290 1.00 0.00 C ATOM 1924 O ALA B 127 0.993 -10.231 6.148 1.00 0.00 O ATOM 1925 CB ALA B 127 0.510 -8.173 8.058 1.00 0.00 C ATOM 0 H ALA B 127 2.804 -9.693 8.619 1.00 0.00 H new ATOM 0 HA ALA B 127 -0.107 -9.933 9.114 1.00 0.00 H new ATOM 0 HB1 ALA B 127 -0.423 -8.092 7.500 1.00 0.00 H new ATOM 0 HB2 ALA B 127 0.459 -7.541 8.944 1.00 0.00 H new ATOM 0 HB3 ALA B 127 1.339 -7.849 7.429 1.00 0.00 H new ATOM 1931 N PRO B 128 0.400 -11.918 7.545 1.00 0.00 N ATOM 1932 CA PRO B 128 0.345 -12.980 6.535 1.00 0.00 C ATOM 1933 C PRO B 128 -0.646 -12.744 5.382 1.00 0.00 C ATOM 1934 O PRO B 128 -1.532 -11.886 5.439 1.00 0.00 O ATOM 1935 CB PRO B 128 -0.036 -14.262 7.291 1.00 0.00 C ATOM 1936 CG PRO B 128 0.360 -13.975 8.734 1.00 0.00 C ATOM 1937 CD PRO B 128 0.097 -12.479 8.857 1.00 0.00 C ATOM 0 HA PRO B 128 1.317 -13.029 6.044 1.00 0.00 H new ATOM 0 HB2 PRO B 128 -1.102 -14.474 7.205 1.00 0.00 H new ATOM 0 HB3 PRO B 128 0.494 -15.129 6.897 1.00 0.00 H new ATOM 0 HG2 PRO B 128 -0.237 -14.551 9.441 1.00 0.00 H new ATOM 0 HG3 PRO B 128 1.405 -14.220 8.925 1.00 0.00 H new ATOM 0 HD2 PRO B 128 -0.938 -12.285 9.137 1.00 0.00 H new ATOM 0 HD3 PRO B 128 0.725 -12.033 9.628 1.00 0.00 H new ATOM 1945 N ILE B 129 -0.517 -13.568 4.339 1.00 0.00 N ATOM 1946 CA ILE B 129 -1.348 -13.578 3.125 1.00 0.00 C ATOM 1947 C ILE B 129 -2.256 -14.817 3.165 1.00 0.00 C ATOM 1948 O ILE B 129 -1.781 -15.934 3.392 1.00 0.00 O ATOM 1949 CB ILE B 129 -0.438 -13.562 1.876 1.00 0.00 C ATOM 1950 CG1 ILE B 129 0.440 -12.290 1.844 1.00 0.00 C ATOM 1951 CG2 ILE B 129 -1.254 -13.627 0.572 1.00 0.00 C ATOM 1952 CD1 ILE B 129 1.683 -12.449 0.969 1.00 0.00 C ATOM 0 H ILE B 129 0.208 -14.286 4.314 1.00 0.00 H new ATOM 0 HA ILE B 129 -1.980 -12.691 3.077 1.00 0.00 H new ATOM 0 HB ILE B 129 0.195 -14.447 1.944 1.00 0.00 H new ATOM 0 HG12 ILE B 129 -0.154 -11.454 1.475 1.00 0.00 H new ATOM 0 HG13 ILE B 129 0.746 -12.040 2.860 1.00 0.00 H new ATOM 0 HG21 ILE B 129 -0.577 -13.613 -0.282 1.00 0.00 H new ATOM 0 HG22 ILE B 129 -1.841 -14.545 0.555 1.00 0.00 H new ATOM 0 HG23 ILE B 129 -1.923 -12.768 0.518 1.00 0.00 H new ATOM 0 HD11 ILE B 129 2.260 -11.524 0.985 1.00 0.00 H new ATOM 0 HD12 ILE B 129 2.295 -13.266 1.351 1.00 0.00 H new ATOM 0 HD13 ILE B 129 1.381 -12.670 -0.055 1.00 0.00 H new ATOM 1964 N GLN B 130 -3.565 -14.626 2.970 1.00 0.00 N ATOM 1965 CA GLN B 130 -4.568 -15.703 3.012 1.00 0.00 C ATOM 1966 C GLN B 130 -4.372 -16.755 1.904 1.00 0.00 C ATOM 1967 O GLN B 130 -4.395 -17.959 2.175 1.00 0.00 O ATOM 1968 CB GLN B 130 -5.993 -15.118 2.954 1.00 0.00 C ATOM 1969 CG GLN B 130 -6.337 -14.150 4.101 1.00 0.00 C ATOM 1970 CD GLN B 130 -6.189 -14.766 5.493 1.00 0.00 C ATOM 1971 OE1 GLN B 130 -5.427 -14.302 6.333 1.00 0.00 O ATOM 1972 NE2 GLN B 130 -6.918 -15.817 5.808 1.00 0.00 N ATOM 0 H GLN B 130 -3.966 -13.708 2.776 1.00 0.00 H new ATOM 0 HA GLN B 130 -4.428 -16.220 3.961 1.00 0.00 H new ATOM 0 HB2 GLN B 130 -6.119 -14.596 2.006 1.00 0.00 H new ATOM 0 HB3 GLN B 130 -6.709 -15.940 2.963 1.00 0.00 H new ATOM 0 HG2 GLN B 130 -5.692 -13.274 4.031 1.00 0.00 H new ATOM 0 HG3 GLN B 130 -7.362 -13.802 3.975 1.00 0.00 H new ATOM 0 HE21 GLN B 130 -7.558 -16.218 5.122 1.00 0.00 H new ATOM 0 HE22 GLN B 130 -6.842 -16.230 6.738 1.00 0.00 H new ATOM 2037 N LEU B 135 4.548 -11.895 -2.883 1.00 0.00 N ATOM 2038 CA LEU B 135 4.948 -10.534 -3.250 1.00 0.00 C ATOM 2039 C LEU B 135 4.298 -10.164 -4.594 1.00 0.00 C ATOM 2040 O LEU B 135 4.566 -10.799 -5.617 1.00 0.00 O ATOM 2041 CB LEU B 135 6.482 -10.424 -3.349 1.00 0.00 C ATOM 2042 CG LEU B 135 7.292 -10.628 -2.055 1.00 0.00 C ATOM 2043 CD1 LEU B 135 8.759 -10.365 -2.391 1.00 0.00 C ATOM 2044 CD2 LEU B 135 6.947 -9.682 -0.903 1.00 0.00 C ATOM 0 HA LEU B 135 4.612 -9.842 -2.478 1.00 0.00 H new ATOM 0 HB2 LEU B 135 6.826 -11.155 -4.080 1.00 0.00 H new ATOM 0 HB3 LEU B 135 6.724 -9.438 -3.746 1.00 0.00 H new ATOM 0 HG LEU B 135 7.063 -11.639 -1.718 1.00 0.00 H new ATOM 0 HD11 LEU B 135 9.367 -10.500 -1.496 1.00 0.00 H new ATOM 0 HD12 LEU B 135 9.087 -11.063 -3.161 1.00 0.00 H new ATOM 0 HD13 LEU B 135 8.871 -9.344 -2.755 1.00 0.00 H new ATOM 0 HD21 LEU B 135 7.575 -9.912 -0.042 1.00 0.00 H new ATOM 0 HD22 LEU B 135 7.121 -8.652 -1.214 1.00 0.00 H new ATOM 0 HD23 LEU B 135 5.899 -9.807 -0.631 1.00 0.00 H new ATOM 2056 N LEU B 136 3.439 -9.146 -4.589 1.00 0.00 N ATOM 2057 CA LEU B 136 2.694 -8.624 -5.738 1.00 0.00 C ATOM 2058 C LEU B 136 3.659 -7.967 -6.763 1.00 0.00 C ATOM 2059 O LEU B 136 4.662 -7.357 -6.380 1.00 0.00 O ATOM 2060 CB LEU B 136 1.620 -7.676 -5.151 1.00 0.00 C ATOM 2061 CG LEU B 136 0.290 -7.514 -5.903 1.00 0.00 C ATOM 2062 CD1 LEU B 136 0.459 -7.064 -7.335 1.00 0.00 C ATOM 2063 CD2 LEU B 136 -0.581 -8.768 -5.960 1.00 0.00 C ATOM 0 H LEU B 136 3.231 -8.632 -3.733 1.00 0.00 H new ATOM 0 HA LEU B 136 2.195 -9.402 -6.315 1.00 0.00 H new ATOM 0 HB2 LEU B 136 1.390 -8.021 -4.143 1.00 0.00 H new ATOM 0 HB3 LEU B 136 2.068 -6.687 -5.055 1.00 0.00 H new ATOM 0 HG LEU B 136 -0.204 -6.752 -5.301 1.00 0.00 H new ATOM 0 HD11 LEU B 136 -0.520 -6.971 -7.805 1.00 0.00 H new ATOM 0 HD12 LEU B 136 0.965 -6.099 -7.356 1.00 0.00 H new ATOM 0 HD13 LEU B 136 1.054 -7.797 -7.879 1.00 0.00 H new ATOM 0 HD21 LEU B 136 -1.496 -8.551 -6.511 1.00 0.00 H new ATOM 0 HD22 LEU B 136 -0.036 -9.567 -6.462 1.00 0.00 H new ATOM 0 HD23 LEU B 136 -0.833 -9.082 -4.947 1.00 0.00 H new ATOM 2075 N GLN B 137 3.399 -8.122 -8.068 1.00 0.00 N ATOM 2076 CA GLN B 137 4.274 -7.664 -9.164 1.00 0.00 C ATOM 2077 C GLN B 137 3.563 -6.816 -10.243 1.00 0.00 C ATOM 2078 O GLN B 137 2.393 -7.035 -10.558 1.00 0.00 O ATOM 2079 CB GLN B 137 4.893 -8.894 -9.866 1.00 0.00 C ATOM 2080 CG GLN B 137 5.562 -9.951 -8.970 1.00 0.00 C ATOM 2081 CD GLN B 137 6.793 -9.454 -8.215 1.00 0.00 C ATOM 2082 OE1 GLN B 137 7.675 -8.803 -8.755 1.00 0.00 O ATOM 2083 NE2 GLN B 137 6.913 -9.759 -6.942 1.00 0.00 N ATOM 0 H GLN B 137 2.552 -8.581 -8.403 1.00 0.00 H new ATOM 0 HA GLN B 137 5.022 -7.025 -8.695 1.00 0.00 H new ATOM 0 HB2 GLN B 137 4.108 -9.386 -10.441 1.00 0.00 H new ATOM 0 HB3 GLN B 137 5.635 -8.538 -10.580 1.00 0.00 H new ATOM 0 HG2 GLN B 137 4.830 -10.313 -8.248 1.00 0.00 H new ATOM 0 HG3 GLN B 137 5.849 -10.803 -9.587 1.00 0.00 H new ATOM 0 HE21 GLN B 137 6.185 -10.302 -6.477 1.00 0.00 H new ATOM 0 HE22 GLN B 137 7.734 -9.453 -6.419 1.00 0.00 H new ATOM 2092 N GLY B 138 4.314 -5.894 -10.860 1.00 0.00 N ATOM 2093 CA GLY B 138 3.930 -5.039 -11.997 1.00 0.00 C ATOM 2094 C GLY B 138 2.530 -4.419 -11.976 1.00 0.00 C ATOM 2095 O GLY B 138 2.127 -3.815 -10.987 1.00 0.00 O ATOM 0 H GLY B 138 5.271 -5.711 -10.559 1.00 0.00 H new ATOM 0 HA2 GLY B 138 4.655 -4.229 -12.068 1.00 0.00 H new ATOM 0 HA3 GLY B 138 4.022 -5.630 -12.908 1.00 0.00 H new ATOM 2099 N GLU B 139 1.804 -4.510 -13.093 1.00 0.00 N ATOM 2100 CA GLU B 139 0.478 -3.896 -13.300 1.00 0.00 C ATOM 2101 C GLU B 139 -0.556 -4.233 -12.209 1.00 0.00 C ATOM 2102 O GLU B 139 -1.345 -3.367 -11.823 1.00 0.00 O ATOM 2103 CB GLU B 139 -0.038 -4.265 -14.701 1.00 0.00 C ATOM 2104 CG GLU B 139 -1.293 -3.477 -15.101 1.00 0.00 C ATOM 2105 CD GLU B 139 -1.705 -3.791 -16.551 1.00 0.00 C ATOM 2106 OE1 GLU B 139 -1.206 -3.120 -17.488 1.00 0.00 O ATOM 2107 OE2 GLU B 139 -2.538 -4.705 -16.766 1.00 0.00 O ATOM 0 H GLU B 139 2.129 -5.029 -13.909 1.00 0.00 H new ATOM 0 HA GLU B 139 0.612 -2.817 -13.223 1.00 0.00 H new ATOM 0 HB2 GLU B 139 0.749 -4.081 -15.433 1.00 0.00 H new ATOM 0 HB3 GLU B 139 -0.260 -5.332 -14.732 1.00 0.00 H new ATOM 0 HG2 GLU B 139 -2.112 -3.724 -14.425 1.00 0.00 H new ATOM 0 HG3 GLU B 139 -1.104 -2.409 -14.996 1.00 0.00 H new ATOM 2114 N GLU B 140 -0.546 -5.464 -11.684 1.00 0.00 N ATOM 2115 CA GLU B 140 -1.436 -5.897 -10.596 1.00 0.00 C ATOM 2116 C GLU B 140 -1.333 -4.977 -9.370 1.00 0.00 C ATOM 2117 O GLU B 140 -2.336 -4.788 -8.681 1.00 0.00 O ATOM 2118 CB GLU B 140 -1.150 -7.348 -10.176 1.00 0.00 C ATOM 2119 CG GLU B 140 -1.446 -8.376 -11.260 1.00 0.00 C ATOM 2120 CD GLU B 140 -1.409 -9.803 -10.686 1.00 0.00 C ATOM 2121 OE1 GLU B 140 -0.315 -10.310 -10.345 1.00 0.00 O ATOM 2122 OE2 GLU B 140 -2.479 -10.439 -10.541 1.00 0.00 O ATOM 0 H GLU B 140 0.087 -6.197 -12.005 1.00 0.00 H new ATOM 0 HA GLU B 140 -2.451 -5.837 -10.988 1.00 0.00 H new ATOM 0 HB2 GLU B 140 -0.103 -7.432 -9.886 1.00 0.00 H new ATOM 0 HB3 GLU B 140 -1.745 -7.584 -9.294 1.00 0.00 H new ATOM 0 HG2 GLU B 140 -2.426 -8.180 -11.695 1.00 0.00 H new ATOM 0 HG3 GLU B 140 -0.716 -8.284 -12.064 1.00 0.00 H new ATOM 2129 N LEU B 141 -0.150 -4.393 -9.106 1.00 0.00 N ATOM 2130 CA LEU B 141 0.077 -3.448 -8.010 1.00 0.00 C ATOM 2131 C LEU B 141 -0.905 -2.290 -8.142 1.00 0.00 C ATOM 2132 O LEU B 141 -1.777 -2.112 -7.298 1.00 0.00 O ATOM 2133 CB LEU B 141 1.514 -2.881 -8.022 1.00 0.00 C ATOM 2134 CG LEU B 141 2.645 -3.864 -7.689 1.00 0.00 C ATOM 2135 CD1 LEU B 141 3.978 -3.233 -8.075 1.00 0.00 C ATOM 2136 CD2 LEU B 141 2.664 -4.147 -6.187 1.00 0.00 C ATOM 0 H LEU B 141 0.687 -4.571 -9.661 1.00 0.00 H new ATOM 0 HA LEU B 141 -0.069 -3.984 -7.072 1.00 0.00 H new ATOM 0 HB2 LEU B 141 1.707 -2.463 -9.010 1.00 0.00 H new ATOM 0 HB3 LEU B 141 1.560 -2.056 -7.312 1.00 0.00 H new ATOM 0 HG LEU B 141 2.485 -4.793 -8.237 1.00 0.00 H new ATOM 0 HD11 LEU B 141 4.788 -3.924 -7.842 1.00 0.00 H new ATOM 0 HD12 LEU B 141 3.982 -3.016 -9.143 1.00 0.00 H new ATOM 0 HD13 LEU B 141 4.118 -2.308 -7.516 1.00 0.00 H new ATOM 0 HD21 LEU B 141 3.469 -4.845 -5.958 1.00 0.00 H new ATOM 0 HD22 LEU B 141 2.826 -3.216 -5.643 1.00 0.00 H new ATOM 0 HD23 LEU B 141 1.711 -4.582 -5.887 1.00 0.00 H new ATOM 2148 N LEU B 142 -0.763 -1.510 -9.215 1.00 0.00 N ATOM 2149 CA LEU B 142 -1.570 -0.325 -9.491 1.00 0.00 C ATOM 2150 C LEU B 142 -3.069 -0.647 -9.461 1.00 0.00 C ATOM 2151 O LEU B 142 -3.826 0.086 -8.828 1.00 0.00 O ATOM 2152 CB LEU B 142 -1.126 0.353 -10.796 1.00 0.00 C ATOM 2153 CG LEU B 142 0.393 0.585 -10.968 1.00 0.00 C ATOM 2154 CD1 LEU B 142 0.608 1.666 -12.025 1.00 0.00 C ATOM 2155 CD2 LEU B 142 1.125 1.043 -9.703 1.00 0.00 C ATOM 0 H LEU B 142 -0.063 -1.692 -9.935 1.00 0.00 H new ATOM 0 HA LEU B 142 -1.401 0.398 -8.693 1.00 0.00 H new ATOM 0 HB2 LEU B 142 -1.476 -0.253 -11.632 1.00 0.00 H new ATOM 0 HB3 LEU B 142 -1.629 1.317 -10.868 1.00 0.00 H new ATOM 0 HG LEU B 142 0.805 -0.385 -11.245 1.00 0.00 H new ATOM 0 HD11 LEU B 142 1.676 1.839 -12.156 1.00 0.00 H new ATOM 0 HD12 LEU B 142 0.174 1.341 -12.971 1.00 0.00 H new ATOM 0 HD13 LEU B 142 0.127 2.590 -11.704 1.00 0.00 H new ATOM 0 HD21 LEU B 142 2.184 1.179 -9.924 1.00 0.00 H new ATOM 0 HD22 LEU B 142 0.702 1.987 -9.360 1.00 0.00 H new ATOM 0 HD23 LEU B 142 1.011 0.290 -8.924 1.00 0.00 H new ATOM 2167 N ARG B 143 -3.491 -1.759 -10.081 1.00 0.00 N ATOM 2168 CA ARG B 143 -4.883 -2.255 -10.055 1.00 0.00 C ATOM 2169 C ARG B 143 -5.380 -2.439 -8.614 1.00 0.00 C ATOM 2170 O ARG B 143 -6.441 -1.924 -8.258 1.00 0.00 O ATOM 2171 CB ARG B 143 -5.007 -3.560 -10.861 1.00 0.00 C ATOM 2172 CG ARG B 143 -4.782 -3.347 -12.368 1.00 0.00 C ATOM 2173 CD ARG B 143 -4.800 -4.667 -13.154 1.00 0.00 C ATOM 2174 NE ARG B 143 -6.115 -5.342 -13.099 1.00 0.00 N ATOM 2175 CZ ARG B 143 -7.175 -5.118 -13.858 1.00 0.00 C ATOM 2176 NH1 ARG B 143 -7.187 -4.213 -14.795 1.00 0.00 N ATOM 2177 NH2 ARG B 143 -8.264 -5.810 -13.683 1.00 0.00 N ATOM 0 H ARG B 143 -2.866 -2.353 -10.626 1.00 0.00 H new ATOM 0 HA ARG B 143 -5.520 -1.506 -10.526 1.00 0.00 H new ATOM 0 HB2 ARG B 143 -4.282 -4.284 -10.488 1.00 0.00 H new ATOM 0 HB3 ARG B 143 -5.997 -3.989 -10.702 1.00 0.00 H new ATOM 0 HG2 ARG B 143 -5.554 -2.684 -12.758 1.00 0.00 H new ATOM 0 HG3 ARG B 143 -3.826 -2.848 -12.523 1.00 0.00 H new ATOM 0 HD2 ARG B 143 -4.540 -4.470 -14.194 1.00 0.00 H new ATOM 0 HD3 ARG B 143 -4.036 -5.334 -12.755 1.00 0.00 H new ATOM 0 HE ARG B 143 -6.217 -6.068 -12.390 1.00 0.00 H new ATOM 0 HH11 ARG B 143 -6.357 -3.645 -14.966 1.00 0.00 H new ATOM 0 HH12 ARG B 143 -8.026 -4.073 -15.358 1.00 0.00 H new ATOM 0 HH21 ARG B 143 -8.302 -6.527 -12.959 1.00 0.00 H new ATOM 0 HH22 ARG B 143 -9.080 -5.635 -14.270 1.00 0.00 H new ATOM 2191 N ALA B 144 -4.611 -3.148 -7.783 1.00 0.00 N ATOM 2192 CA ALA B 144 -4.900 -3.373 -6.367 1.00 0.00 C ATOM 2193 C ALA B 144 -4.945 -2.055 -5.564 1.00 0.00 C ATOM 2194 O ALA B 144 -5.861 -1.870 -4.765 1.00 0.00 O ATOM 2195 CB ALA B 144 -3.888 -4.373 -5.790 1.00 0.00 C ATOM 0 H ALA B 144 -3.745 -3.594 -8.087 1.00 0.00 H new ATOM 0 HA ALA B 144 -5.898 -3.802 -6.280 1.00 0.00 H new ATOM 0 HB1 ALA B 144 -4.103 -4.541 -4.735 1.00 0.00 H new ATOM 0 HB2 ALA B 144 -3.961 -5.317 -6.330 1.00 0.00 H new ATOM 0 HB3 ALA B 144 -2.880 -3.972 -5.895 1.00 0.00 H new ATOM 2201 N LEU B 145 -3.990 -1.136 -5.764 1.00 0.00 N ATOM 2202 CA LEU B 145 -3.950 0.172 -5.091 1.00 0.00 C ATOM 2203 C LEU B 145 -5.158 1.056 -5.453 1.00 0.00 C ATOM 2204 O LEU B 145 -5.737 1.714 -4.590 1.00 0.00 O ATOM 2205 CB LEU B 145 -2.663 0.950 -5.436 1.00 0.00 C ATOM 2206 CG LEU B 145 -1.314 0.310 -5.073 1.00 0.00 C ATOM 2207 CD1 LEU B 145 -0.173 1.260 -5.386 1.00 0.00 C ATOM 2208 CD2 LEU B 145 -1.195 -0.064 -3.607 1.00 0.00 C ATOM 0 H LEU B 145 -3.212 -1.282 -6.407 1.00 0.00 H new ATOM 0 HA LEU B 145 -3.976 -0.049 -4.024 1.00 0.00 H new ATOM 0 HB2 LEU B 145 -2.665 1.139 -6.509 1.00 0.00 H new ATOM 0 HB3 LEU B 145 -2.716 1.920 -4.941 1.00 0.00 H new ATOM 0 HG LEU B 145 -1.260 -0.600 -5.671 1.00 0.00 H new ATOM 0 HD11 LEU B 145 0.774 0.790 -5.122 1.00 0.00 H new ATOM 0 HD12 LEU B 145 -0.177 1.496 -6.450 1.00 0.00 H new ATOM 0 HD13 LEU B 145 -0.295 2.178 -4.810 1.00 0.00 H new ATOM 0 HD21 LEU B 145 -0.218 -0.510 -3.424 1.00 0.00 H new ATOM 0 HD22 LEU B 145 -1.307 0.830 -2.993 1.00 0.00 H new ATOM 0 HD23 LEU B 145 -1.975 -0.781 -3.350 1.00 0.00 H new ATOM 2220 N ASP B 146 -5.508 1.123 -6.738 1.00 0.00 N ATOM 2221 CA ASP B 146 -6.571 1.967 -7.292 1.00 0.00 C ATOM 2222 C ASP B 146 -7.970 1.730 -6.702 1.00 0.00 C ATOM 2223 O ASP B 146 -8.731 2.687 -6.564 1.00 0.00 O ATOM 2224 CB ASP B 146 -6.605 1.810 -8.819 1.00 0.00 C ATOM 2225 CG ASP B 146 -7.344 2.969 -9.491 1.00 0.00 C ATOM 2226 OD1 ASP B 146 -6.850 4.112 -9.381 1.00 0.00 O ATOM 2227 OD2 ASP B 146 -8.367 2.753 -10.182 1.00 0.00 O ATOM 0 H ASP B 146 -5.039 0.567 -7.453 1.00 0.00 H new ATOM 0 HA ASP B 146 -6.317 2.988 -7.007 1.00 0.00 H new ATOM 0 HB2 ASP B 146 -5.586 1.757 -9.202 1.00 0.00 H new ATOM 0 HB3 ASP B 146 -7.092 0.870 -9.077 1.00 0.00 H new ATOM 2232 N GLN B 147 -8.324 0.483 -6.365 1.00 0.00 N ATOM 2233 CA GLN B 147 -9.650 0.078 -5.856 1.00 0.00 C ATOM 2234 C GLN B 147 -10.215 0.902 -4.676 1.00 0.00 C ATOM 2235 O GLN B 147 -11.422 0.862 -4.428 1.00 0.00 O ATOM 2236 CB GLN B 147 -9.673 -1.437 -5.570 1.00 0.00 C ATOM 2237 CG GLN B 147 -9.166 -1.815 -4.170 1.00 0.00 C ATOM 2238 CD GLN B 147 -9.011 -3.327 -4.012 1.00 0.00 C ATOM 2239 OE1 GLN B 147 -9.976 -4.072 -3.885 1.00 0.00 O ATOM 2240 NE2 GLN B 147 -7.801 -3.837 -4.020 1.00 0.00 N ATOM 0 H GLN B 147 -7.677 -0.302 -6.440 1.00 0.00 H new ATOM 0 HA GLN B 147 -10.342 0.313 -6.664 1.00 0.00 H new ATOM 0 HB2 GLN B 147 -10.693 -1.803 -5.687 1.00 0.00 H new ATOM 0 HB3 GLN B 147 -9.063 -1.947 -6.316 1.00 0.00 H new ATOM 0 HG2 GLN B 147 -8.207 -1.330 -3.988 1.00 0.00 H new ATOM 0 HG3 GLN B 147 -9.861 -1.440 -3.418 1.00 0.00 H new ATOM 0 HE21 GLN B 147 -6.991 -3.226 -4.125 1.00 0.00 H new ATOM 0 HE22 GLN B 147 -7.671 -4.844 -3.921 1.00 0.00 H new ATOM 2249 N VAL B 148 -9.370 1.644 -3.947 1.00 0.00 N ATOM 2250 CA VAL B 148 -9.758 2.521 -2.827 1.00 0.00 C ATOM 2251 C VAL B 148 -10.719 3.640 -3.275 1.00 0.00 C ATOM 2252 O VAL B 148 -11.621 4.009 -2.517 1.00 0.00 O ATOM 2253 CB VAL B 148 -8.519 3.149 -2.142 1.00 0.00 C ATOM 2254 CG1 VAL B 148 -8.891 3.887 -0.849 1.00 0.00 C ATOM 2255 CG2 VAL B 148 -7.458 2.128 -1.718 1.00 0.00 C ATOM 0 H VAL B 148 -8.365 1.653 -4.124 1.00 0.00 H new ATOM 0 HA VAL B 148 -10.278 1.887 -2.109 1.00 0.00 H new ATOM 0 HB VAL B 148 -8.123 3.817 -2.907 1.00 0.00 H new ATOM 0 HG11 VAL B 148 -7.993 4.312 -0.401 1.00 0.00 H new ATOM 0 HG12 VAL B 148 -9.596 4.686 -1.076 1.00 0.00 H new ATOM 0 HG13 VAL B 148 -9.349 3.187 -0.150 1.00 0.00 H new ATOM 0 HG21 VAL B 148 -6.623 2.646 -1.246 1.00 0.00 H new ATOM 0 HG22 VAL B 148 -7.894 1.423 -1.010 1.00 0.00 H new ATOM 0 HG23 VAL B 148 -7.101 1.588 -2.595 1.00 0.00 H new ATOM 2265 N ASN B 149 -10.517 4.209 -4.477 1.00 0.00 N ATOM 2266 CA ASN B 149 -11.312 5.337 -5.012 1.00 0.00 C ATOM 2267 C ASN B 149 -12.821 5.035 -5.164 1.00 0.00 C ATOM 2268 O ASN B 149 -13.631 5.945 -4.877 1.00 0.00 O ATOM 2269 CB ASN B 149 -10.689 5.894 -6.320 1.00 0.00 C ATOM 2270 CG ASN B 149 -11.178 5.253 -7.617 1.00 0.00 C ATOM 2271 OD1 ASN B 149 -12.019 5.797 -8.320 1.00 0.00 O ATOM 2272 ND2 ASN B 149 -10.658 4.113 -8.004 1.00 0.00 N ATOM 2273 OXT ASN B 149 -13.195 3.918 -5.589 1.00 0.00 O ATOM 0 H ASN B 149 -9.787 3.896 -5.116 1.00 0.00 H new ATOM 0 HA ASN B 149 -11.263 6.119 -4.255 1.00 0.00 H new ATOM 0 HB2 ASN B 149 -10.890 6.964 -6.368 1.00 0.00 H new ATOM 0 HB3 ASN B 149 -9.607 5.775 -6.264 1.00 0.00 H new ATOM 0 HD21 ASN B 149 -10.955 3.689 -8.883 1.00 0.00 H new ATOM 0 HD22 ASN B 149 -9.956 3.650 -7.426 1.00 0.00 H new