USER MOD reduce.3.24.130724 H: found=0, std=0, add=846, rem=0, adj=29 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 : no HE2:sc= -0.521 K(o=0.98,f=-0.76) USER MOD Set 1.2: A 77 CYS SG : rot -180:sc= 0.183 USER MOD Set 1.3: A 82 CYS SG : rot -60:sc= 0.424 USER MOD Set 1.4: A 85 CYS SG : rot 111:sc= 0.897 USER MOD Set 2.1: A 49 HIS :FLIP no HD1:sc= -0.207 F(o=0.27,f=3) USER MOD Set 2.2: A 53 CYS SG : rot -175:sc= 1.02 USER MOD Set 2.3: A 59 CYS SG : rot -156:sc= 0.307 USER MOD Set 2.4: A 64 CYS SG : rot 115:sc= 1.84 USER MOD Set 3.1: A 48 ASN : amide:sc= 0.432 K(o=0.69,f=-0.78) USER MOD Set 3.2: A 52 HIS : no HD1:sc= 0.261 K(o=0.69,f=-2.9!) USER MOD Set 4.1: A 39 HIS : no HD1:sc= 0.757 K(o=1.7,f=-4.7!) USER MOD Set 4.2: A 42 THR OG1 : rot 151:sc= 0.91 USER MOD Set 5.1: A 18 HIS :FLIP no HD1:sc= -0.115 F(o=-0.67,f=4.7) USER MOD Set 5.2: A 22 CYS SG : rot -174:sc= 0.796 USER MOD Set 5.3: A 40 CYS SG : rot 113:sc= 1.56 USER MOD Set 5.4: A 44 LYS NZ :NH3+ -142:sc= 2.51 (180deg=-0.0566) USER MOD Set 6.1: A 11 GLN : amide:sc= 1.2 K(o=0.9,f=-1.2) USER MOD Set 6.2: A 12 GLN : amide:sc= 0.496 K(o=0.9,f=-2.1) USER MOD Set 6.3: A 43 MET CE :methyl -162:sc= -0.796 (180deg=-1.4) USER MOD Single : A 1 ALA N :NH3+ -112:sc= 0.0777 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 179:sc= 1.24 (180deg=1.17) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.02) 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 45 ASN : amide:sc= 0.99 K(o=0.99,f=0) USER MOD Single : A 50 MET CE :methyl 180:sc= -0.616 (180deg=-0.616) USER MOD Single : A 51 THR OG1 : rot 48:sc= 0.93 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 LYS NZ :NH3+ -174:sc= 1.08 (180deg=1.05) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 HIS : no HD1:sc= 0.813 K(o=0.81,f=-2.6!) USER MOD Single : A 66 SER OG : rot 82:sc= 1.01 USER MOD Single : A 67 SER OG : rot -80:sc= 1.18 USER MOD Single : A 69 GLN :FLIP amide:sc= -0.972 F(o=-1.5,f=-0.97) USER MOD Single : A 72 SER OG : rot 64:sc= 1.83 USER MOD Single : A 75 LYS NZ :NH3+ -173:sc= 1.05 (180deg=1.02) USER MOD Single : A 76 ASN : amide:sc= 1.08 K(o=1.1,f=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HE2:sc= 0.529 K(o=0.53,f=-2.2!) 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 -76:sc= 0.701 USER MOD Single : B 120 SER OG : rot 180:sc= 0.00604 USER MOD Single : B 121 TYR OH : rot 180:sc= 0 USER MOD Single : B 123 CYS SG : rot 81:sc= 0.219 USER MOD Single : B 126 ASN : amide:sc= 1.59 K(o=1.6,f=-3.8!) USER MOD Single : B 130 GLN : amide:sc= 0.608 K(o=0.61,f=0) USER MOD Single : B 137 GLN : amide:sc= 0.125 K(o=0.13,f=-3.8!) USER MOD Single : B 147 GLN : amide:sc= 0.693 K(o=0.69,f=0) USER MOD Single : B 149 ASN : amide:sc= 1.13 K(o=1.1,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 6.701 -11.945 15.981 1.00 0.00 N ATOM 2 CA ALA A 1 5.974 -10.696 15.644 1.00 0.00 C ATOM 3 C ALA A 1 5.944 -9.741 16.848 1.00 0.00 C ATOM 4 O ALA A 1 6.097 -10.177 17.991 1.00 0.00 O ATOM 5 CB ALA A 1 4.552 -11.000 15.139 1.00 0.00 C ATOM 0 H1 ALA A 1 7.589 -11.987 15.441 1.00 0.00 H new ATOM 0 H2 ALA A 1 6.914 -11.959 16.999 1.00 0.00 H new ATOM 0 H3 ALA A 1 6.110 -12.766 15.740 1.00 0.00 H new ATOM 0 HA ALA A 1 6.511 -10.201 14.835 1.00 0.00 H new ATOM 0 HB1 ALA A 1 4.043 -10.066 14.900 1.00 0.00 H new ATOM 0 HB2 ALA A 1 4.608 -11.622 14.245 1.00 0.00 H new ATOM 0 HB3 ALA A 1 3.996 -11.528 15.914 1.00 0.00 H new ATOM 13 N ASP A 2 5.748 -8.440 16.612 1.00 0.00 N ATOM 14 CA ASP A 2 5.693 -7.387 17.639 1.00 0.00 C ATOM 15 C ASP A 2 4.595 -6.339 17.331 1.00 0.00 C ATOM 16 O ASP A 2 4.518 -5.873 16.188 1.00 0.00 O ATOM 17 CB ASP A 2 7.068 -6.709 17.732 1.00 0.00 C ATOM 18 CG ASP A 2 7.132 -5.752 18.932 1.00 0.00 C ATOM 19 OD1 ASP A 2 6.636 -4.610 18.812 1.00 0.00 O ATOM 20 OD2 ASP A 2 7.660 -6.154 19.997 1.00 0.00 O ATOM 0 H ASP A 2 5.618 -8.075 15.668 1.00 0.00 H new ATOM 0 HA ASP A 2 5.438 -7.847 18.594 1.00 0.00 H new ATOM 0 HB2 ASP A 2 7.845 -7.467 17.826 1.00 0.00 H new ATOM 0 HB3 ASP A 2 7.269 -6.159 16.813 1.00 0.00 H new ATOM 25 N PRO A 3 3.751 -5.946 18.310 1.00 0.00 N ATOM 26 CA PRO A 3 2.695 -4.943 18.134 1.00 0.00 C ATOM 27 C PRO A 3 3.141 -3.640 17.451 1.00 0.00 C ATOM 28 O PRO A 3 2.459 -3.164 16.546 1.00 0.00 O ATOM 29 CB PRO A 3 2.135 -4.666 19.533 1.00 0.00 C ATOM 30 CG PRO A 3 2.395 -5.973 20.272 1.00 0.00 C ATOM 31 CD PRO A 3 3.725 -6.437 19.684 1.00 0.00 C ATOM 0 HA PRO A 3 1.947 -5.343 17.450 1.00 0.00 H new ATOM 0 HB2 PRO A 3 2.639 -3.826 20.010 1.00 0.00 H new ATOM 0 HB3 PRO A 3 1.073 -4.425 19.502 1.00 0.00 H new ATOM 0 HG2 PRO A 3 2.460 -5.822 21.350 1.00 0.00 H new ATOM 0 HG3 PRO A 3 1.601 -6.700 20.099 1.00 0.00 H new ATOM 0 HD2 PRO A 3 4.564 -6.040 20.256 1.00 0.00 H new ATOM 0 HD3 PRO A 3 3.806 -7.524 19.712 1.00 0.00 H new ATOM 39 N GLU A 4 4.277 -3.055 17.848 1.00 0.00 N ATOM 40 CA GLU A 4 4.799 -1.814 17.255 1.00 0.00 C ATOM 41 C GLU A 4 5.097 -1.988 15.760 1.00 0.00 C ATOM 42 O GLU A 4 4.720 -1.143 14.950 1.00 0.00 O ATOM 43 CB GLU A 4 6.040 -1.300 18.002 1.00 0.00 C ATOM 44 CG GLU A 4 5.733 -0.940 19.462 1.00 0.00 C ATOM 45 CD GLU A 4 6.965 -0.335 20.164 1.00 0.00 C ATOM 46 OE1 GLU A 4 7.285 0.855 19.921 1.00 0.00 O ATOM 47 OE2 GLU A 4 7.615 -1.031 20.983 1.00 0.00 O ATOM 0 H GLU A 4 4.864 -3.429 18.593 1.00 0.00 H new ATOM 0 HA GLU A 4 4.017 -1.062 17.358 1.00 0.00 H new ATOM 0 HB2 GLU A 4 6.820 -2.061 17.974 1.00 0.00 H new ATOM 0 HB3 GLU A 4 6.433 -0.422 17.489 1.00 0.00 H new ATOM 0 HG2 GLU A 4 4.907 -0.229 19.497 1.00 0.00 H new ATOM 0 HG3 GLU A 4 5.409 -1.832 19.998 1.00 0.00 H new ATOM 54 N LYS A 5 5.719 -3.106 15.363 1.00 0.00 N ATOM 55 CA LYS A 5 5.972 -3.414 13.943 1.00 0.00 C ATOM 56 C LYS A 5 4.669 -3.572 13.153 1.00 0.00 C ATOM 57 O LYS A 5 4.626 -3.192 11.984 1.00 0.00 O ATOM 58 CB LYS A 5 6.936 -4.597 13.762 1.00 0.00 C ATOM 59 CG LYS A 5 8.324 -4.246 14.329 1.00 0.00 C ATOM 60 CD LYS A 5 9.444 -5.180 13.852 1.00 0.00 C ATOM 61 CE LYS A 5 9.256 -6.613 14.353 1.00 0.00 C ATOM 62 NZ LYS A 5 10.426 -7.460 13.998 1.00 0.00 N ATOM 0 H LYS A 5 6.060 -3.819 16.008 1.00 0.00 H new ATOM 0 HA LYS A 5 6.484 -2.552 13.516 1.00 0.00 H new ATOM 0 HB2 LYS A 5 6.541 -5.478 14.268 1.00 0.00 H new ATOM 0 HB3 LYS A 5 7.020 -4.848 12.705 1.00 0.00 H new ATOM 0 HG2 LYS A 5 8.573 -3.223 14.047 1.00 0.00 H new ATOM 0 HG3 LYS A 5 8.279 -4.275 15.418 1.00 0.00 H new ATOM 0 HD2 LYS A 5 9.476 -5.179 12.762 1.00 0.00 H new ATOM 0 HD3 LYS A 5 10.405 -4.799 14.199 1.00 0.00 H new ATOM 0 HE2 LYS A 5 9.120 -6.609 15.435 1.00 0.00 H new ATOM 0 HE3 LYS A 5 8.350 -7.038 13.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 10.281 -8.423 14.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 10.529 -7.494 12.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 11.287 -7.056 14.418 1.00 0.00 H new ATOM 76 N ARG A 6 3.578 -4.038 13.775 1.00 0.00 N ATOM 77 CA ARG A 6 2.250 -4.069 13.134 1.00 0.00 C ATOM 78 C ARG A 6 1.756 -2.638 12.861 1.00 0.00 C ATOM 79 O ARG A 6 1.250 -2.388 11.769 1.00 0.00 O ATOM 80 CB ARG A 6 1.262 -4.937 13.928 1.00 0.00 C ATOM 81 CG ARG A 6 -0.023 -5.198 13.121 1.00 0.00 C ATOM 82 CD ARG A 6 -0.882 -6.310 13.738 1.00 0.00 C ATOM 83 NE ARG A 6 -0.284 -7.648 13.536 1.00 0.00 N ATOM 84 CZ ARG A 6 -0.568 -8.762 14.185 1.00 0.00 C ATOM 85 NH1 ARG A 6 -1.442 -8.805 15.151 1.00 0.00 N ATOM 86 NH2 ARG A 6 0.031 -9.870 13.860 1.00 0.00 N ATOM 0 H ARG A 6 3.586 -4.402 14.728 1.00 0.00 H new ATOM 0 HA ARG A 6 2.330 -4.554 12.161 1.00 0.00 H new ATOM 0 HB2 ARG A 6 1.733 -5.886 14.185 1.00 0.00 H new ATOM 0 HB3 ARG A 6 1.011 -4.442 14.866 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -0.607 -4.279 13.065 1.00 0.00 H new ATOM 0 HG3 ARG A 6 0.241 -5.471 12.099 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -1.004 -6.124 14.805 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -1.878 -6.287 13.295 1.00 0.00 H new ATOM 0 HE ARG A 6 0.430 -7.718 12.811 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -1.935 -7.957 15.431 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -1.633 -9.687 15.627 1.00 0.00 H new ATOM 0 HH21 ARG A 6 0.718 -9.876 13.106 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -0.186 -10.733 14.359 1.00 0.00 H new ATOM 100 N LYS A 7 1.966 -1.683 13.786 1.00 0.00 N ATOM 101 CA LYS A 7 1.668 -0.243 13.581 1.00 0.00 C ATOM 102 C LYS A 7 2.456 0.312 12.388 1.00 0.00 C ATOM 103 O LYS A 7 1.900 1.034 11.563 1.00 0.00 O ATOM 104 CB LYS A 7 1.975 0.626 14.813 1.00 0.00 C ATOM 105 CG LYS A 7 1.290 0.179 16.110 1.00 0.00 C ATOM 106 CD LYS A 7 1.716 1.060 17.294 1.00 0.00 C ATOM 107 CE LYS A 7 1.085 2.459 17.192 1.00 0.00 C ATOM 108 NZ LYS A 7 1.472 3.343 18.320 1.00 0.00 N ATOM 0 H LYS A 7 2.351 -1.886 14.708 1.00 0.00 H new ATOM 0 HA LYS A 7 0.596 -0.192 13.392 1.00 0.00 H new ATOM 0 HB2 LYS A 7 3.053 0.634 14.974 1.00 0.00 H new ATOM 0 HB3 LYS A 7 1.677 1.652 14.598 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.208 0.227 15.988 1.00 0.00 H new ATOM 0 HG3 LYS A 7 1.542 -0.861 16.318 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.416 0.589 18.230 1.00 0.00 H new ATOM 0 HD3 LYS A 7 2.802 1.147 17.315 1.00 0.00 H new ATOM 0 HE2 LYS A 7 1.386 2.922 16.252 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -0.000 2.363 17.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 1.020 4.273 18.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 1.162 2.917 19.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 2.505 3.459 18.331 1.00 0.00 H new ATOM 122 N LEU A 8 3.744 -0.032 12.286 1.00 0.00 N ATOM 123 CA LEU A 8 4.610 0.353 11.165 1.00 0.00 C ATOM 124 C LEU A 8 4.022 -0.161 9.840 1.00 0.00 C ATOM 125 O LEU A 8 3.824 0.619 8.912 1.00 0.00 O ATOM 126 CB LEU A 8 6.049 -0.153 11.379 1.00 0.00 C ATOM 127 CG LEU A 8 6.796 0.444 12.584 1.00 0.00 C ATOM 128 CD1 LEU A 8 8.199 -0.161 12.662 1.00 0.00 C ATOM 129 CD2 LEU A 8 6.915 1.967 12.513 1.00 0.00 C ATOM 0 H LEU A 8 4.222 -0.594 12.990 1.00 0.00 H new ATOM 0 HA LEU A 8 4.655 1.441 11.117 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.020 -1.237 11.494 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.625 0.056 10.478 1.00 0.00 H new ATOM 0 HG LEU A 8 6.214 0.201 13.473 1.00 0.00 H new ATOM 0 HD11 LEU A 8 8.730 0.261 13.515 1.00 0.00 H new ATOM 0 HD12 LEU A 8 8.123 -1.242 12.780 1.00 0.00 H new ATOM 0 HD13 LEU A 8 8.745 0.067 11.746 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.451 2.331 13.389 1.00 0.00 H new ATOM 0 HD22 LEU A 8 7.460 2.248 11.612 1.00 0.00 H new ATOM 0 HD23 LEU A 8 5.919 2.409 12.487 1.00 0.00 H new ATOM 141 N ILE A 9 3.702 -1.456 9.759 1.00 0.00 N ATOM 142 CA ILE A 9 3.064 -2.092 8.593 1.00 0.00 C ATOM 143 C ILE A 9 1.759 -1.357 8.237 1.00 0.00 C ATOM 144 O ILE A 9 1.604 -0.930 7.095 1.00 0.00 O ATOM 145 CB ILE A 9 2.896 -3.608 8.841 1.00 0.00 C ATOM 146 CG1 ILE A 9 4.294 -4.270 8.815 1.00 0.00 C ATOM 147 CG2 ILE A 9 1.991 -4.276 7.793 1.00 0.00 C ATOM 148 CD1 ILE A 9 4.324 -5.677 9.414 1.00 0.00 C ATOM 0 H ILE A 9 3.882 -2.111 10.520 1.00 0.00 H new ATOM 0 HA ILE A 9 3.703 -2.004 7.714 1.00 0.00 H new ATOM 0 HB ILE A 9 2.417 -3.742 9.811 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.644 -4.317 7.784 1.00 0.00 H new ATOM 0 HG13 ILE A 9 4.995 -3.638 9.361 1.00 0.00 H new ATOM 0 HG21 ILE A 9 1.905 -5.340 8.012 1.00 0.00 H new ATOM 0 HG22 ILE A 9 1.002 -3.819 7.822 1.00 0.00 H new ATOM 0 HG23 ILE A 9 2.423 -4.143 6.801 1.00 0.00 H new ATOM 0 HD11 ILE A 9 5.338 -6.074 9.359 1.00 0.00 H new ATOM 0 HD12 ILE A 9 4.006 -5.636 10.456 1.00 0.00 H new ATOM 0 HD13 ILE A 9 3.650 -6.325 8.854 1.00 0.00 H new ATOM 160 N GLN A 10 0.853 -1.155 9.205 1.00 0.00 N ATOM 161 CA GLN A 10 -0.391 -0.381 9.078 1.00 0.00 C ATOM 162 C GLN A 10 -0.146 0.984 8.414 1.00 0.00 C ATOM 163 O GLN A 10 -0.781 1.305 7.407 1.00 0.00 O ATOM 164 CB GLN A 10 -1.026 -0.192 10.469 1.00 0.00 C ATOM 165 CG GLN A 10 -1.952 -1.345 10.853 1.00 0.00 C ATOM 166 CD GLN A 10 -2.534 -1.168 12.252 1.00 0.00 C ATOM 167 OE1 GLN A 10 -2.025 -1.678 13.242 1.00 0.00 O ATOM 168 NE2 GLN A 10 -3.624 -0.441 12.387 1.00 0.00 N ATOM 0 H GLN A 10 0.973 -1.544 10.140 1.00 0.00 H new ATOM 0 HA GLN A 10 -1.074 -0.938 8.436 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -0.237 -0.101 11.215 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -1.589 0.741 10.484 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -2.764 -1.415 10.129 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -1.401 -2.284 10.806 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -4.056 -0.012 11.568 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -4.037 -0.307 13.310 1.00 0.00 H new ATOM 177 N GLN A 11 0.791 1.774 8.953 1.00 0.00 N ATOM 178 CA GLN A 11 1.198 3.069 8.406 1.00 0.00 C ATOM 179 C GLN A 11 1.599 2.927 6.930 1.00 0.00 C ATOM 180 O GLN A 11 0.991 3.567 6.072 1.00 0.00 O ATOM 181 CB GLN A 11 2.325 3.672 9.265 1.00 0.00 C ATOM 182 CG GLN A 11 2.853 5.003 8.711 1.00 0.00 C ATOM 183 CD GLN A 11 4.043 5.520 9.511 1.00 0.00 C ATOM 184 OE1 GLN A 11 3.917 5.971 10.640 1.00 0.00 O ATOM 185 NE2 GLN A 11 5.237 5.447 8.969 1.00 0.00 N ATOM 0 H GLN A 11 1.298 1.522 9.802 1.00 0.00 H new ATOM 0 HA GLN A 11 0.355 3.760 8.441 1.00 0.00 H new ATOM 0 HB2 GLN A 11 1.958 3.827 10.280 1.00 0.00 H new ATOM 0 HB3 GLN A 11 3.147 2.959 9.329 1.00 0.00 H new ATOM 0 HG2 GLN A 11 3.145 4.872 7.669 1.00 0.00 H new ATOM 0 HG3 GLN A 11 2.055 5.745 8.727 1.00 0.00 H new ATOM 0 HE21 GLN A 11 5.347 5.071 8.027 1.00 0.00 H new ATOM 0 HE22 GLN A 11 6.054 5.766 9.490 1.00 0.00 H new ATOM 194 N GLN A 12 2.598 2.091 6.622 1.00 0.00 N ATOM 195 CA GLN A 12 3.074 1.871 5.251 1.00 0.00 C ATOM 196 C GLN A 12 1.957 1.442 4.282 1.00 0.00 C ATOM 197 O GLN A 12 1.942 1.918 3.150 1.00 0.00 O ATOM 198 CB GLN A 12 4.272 0.904 5.218 1.00 0.00 C ATOM 199 CG GLN A 12 5.499 1.374 6.024 1.00 0.00 C ATOM 200 CD GLN A 12 5.832 2.851 5.840 1.00 0.00 C ATOM 201 OE1 GLN A 12 5.591 3.685 6.702 1.00 0.00 O ATOM 202 NE2 GLN A 12 6.383 3.231 4.710 1.00 0.00 N ATOM 0 H GLN A 12 3.102 1.545 7.321 1.00 0.00 H new ATOM 0 HA GLN A 12 3.422 2.839 4.889 1.00 0.00 H new ATOM 0 HB2 GLN A 12 3.951 -0.064 5.602 1.00 0.00 H new ATOM 0 HB3 GLN A 12 4.571 0.753 4.181 1.00 0.00 H new ATOM 0 HG2 GLN A 12 5.322 1.181 7.082 1.00 0.00 H new ATOM 0 HG3 GLN A 12 6.363 0.778 5.732 1.00 0.00 H new ATOM 0 HE21 GLN A 12 6.588 2.543 3.986 1.00 0.00 H new ATOM 0 HE22 GLN A 12 6.606 4.214 4.557 1.00 0.00 H new ATOM 211 N LEU A 13 1.010 0.598 4.712 1.00 0.00 N ATOM 212 CA LEU A 13 -0.167 0.160 3.953 1.00 0.00 C ATOM 213 C LEU A 13 -0.955 1.398 3.483 1.00 0.00 C ATOM 214 O LEU A 13 -1.107 1.625 2.283 1.00 0.00 O ATOM 215 CB LEU A 13 -0.980 -0.832 4.825 1.00 0.00 C ATOM 216 CG LEU A 13 -1.766 -1.903 4.045 1.00 0.00 C ATOM 217 CD1 LEU A 13 -2.104 -3.096 4.943 1.00 0.00 C ATOM 218 CD2 LEU A 13 -3.073 -1.387 3.463 1.00 0.00 C ATOM 0 H LEU A 13 1.046 0.183 5.643 1.00 0.00 H new ATOM 0 HA LEU A 13 0.106 -0.381 3.047 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.296 -1.334 5.509 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.681 -0.263 5.435 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.109 -2.197 3.226 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.659 -3.838 4.369 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.183 -3.542 5.318 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.711 -2.759 5.783 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.575 -2.192 2.927 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.715 -1.032 4.269 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.866 -0.567 2.775 1.00 0.00 H new ATOM 230 N VAL A 14 -1.405 2.236 4.422 1.00 0.00 N ATOM 231 CA VAL A 14 -2.136 3.487 4.150 1.00 0.00 C ATOM 232 C VAL A 14 -1.306 4.465 3.292 1.00 0.00 C ATOM 233 O VAL A 14 -1.838 5.000 2.316 1.00 0.00 O ATOM 234 CB VAL A 14 -2.653 4.104 5.466 1.00 0.00 C ATOM 235 CG1 VAL A 14 -3.442 5.407 5.286 1.00 0.00 C ATOM 236 CG2 VAL A 14 -3.612 3.118 6.153 1.00 0.00 C ATOM 0 H VAL A 14 -1.270 2.063 5.418 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.013 3.255 3.546 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.758 4.318 6.050 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.768 5.772 6.260 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.806 6.155 4.812 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -4.313 5.221 4.658 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -3.977 3.554 7.083 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -4.455 2.911 5.494 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -3.085 2.189 6.370 1.00 0.00 H new ATOM 246 N LEU A 15 -0.015 4.682 3.594 1.00 0.00 N ATOM 247 CA LEU A 15 0.876 5.546 2.791 1.00 0.00 C ATOM 248 C LEU A 15 0.973 5.079 1.328 1.00 0.00 C ATOM 249 O LEU A 15 0.862 5.890 0.409 1.00 0.00 O ATOM 250 CB LEU A 15 2.306 5.629 3.363 1.00 0.00 C ATOM 251 CG LEU A 15 2.514 6.297 4.728 1.00 0.00 C ATOM 252 CD1 LEU A 15 4.010 6.394 5.019 1.00 0.00 C ATOM 253 CD2 LEU A 15 1.936 7.703 4.787 1.00 0.00 C ATOM 0 H LEU A 15 0.444 4.264 4.403 1.00 0.00 H new ATOM 0 HA LEU A 15 0.417 6.534 2.834 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.695 4.613 3.429 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.922 6.160 2.637 1.00 0.00 H new ATOM 0 HG LEU A 15 1.997 5.682 5.464 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.162 6.868 5.989 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.444 5.394 5.032 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.494 6.989 4.244 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.112 8.127 5.775 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.418 8.326 4.034 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.864 7.664 4.594 1.00 0.00 H new ATOM 265 N LEU A 16 1.206 3.784 1.098 1.00 0.00 N ATOM 266 CA LEU A 16 1.331 3.183 -0.230 1.00 0.00 C ATOM 267 C LEU A 16 0.049 3.367 -1.058 1.00 0.00 C ATOM 268 O LEU A 16 0.116 3.763 -2.223 1.00 0.00 O ATOM 269 CB LEU A 16 1.729 1.710 -0.076 1.00 0.00 C ATOM 270 CG LEU A 16 1.976 0.995 -1.413 1.00 0.00 C ATOM 271 CD1 LEU A 16 3.141 1.606 -2.192 1.00 0.00 C ATOM 272 CD2 LEU A 16 2.325 -0.458 -1.125 1.00 0.00 C ATOM 0 H LEU A 16 1.316 3.107 1.853 1.00 0.00 H new ATOM 0 HA LEU A 16 2.115 3.694 -0.788 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.632 1.648 0.531 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.943 1.185 0.467 1.00 0.00 H new ATOM 0 HG LEU A 16 1.071 1.093 -2.012 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.275 1.066 -3.129 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.927 2.653 -2.404 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.053 1.535 -1.599 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.504 -0.982 -2.064 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.223 -0.501 -0.508 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.499 -0.933 -0.596 1.00 0.00 H new ATOM 284 N LEU A 17 -1.117 3.117 -0.454 1.00 0.00 N ATOM 285 CA LEU A 17 -2.413 3.373 -1.087 1.00 0.00 C ATOM 286 C LEU A 17 -2.546 4.860 -1.468 1.00 0.00 C ATOM 287 O LEU A 17 -2.885 5.162 -2.617 1.00 0.00 O ATOM 288 CB LEU A 17 -3.569 2.897 -0.192 1.00 0.00 C ATOM 289 CG LEU A 17 -4.005 1.441 -0.451 1.00 0.00 C ATOM 290 CD1 LEU A 17 -2.956 0.367 -0.166 1.00 0.00 C ATOM 291 CD2 LEU A 17 -5.212 1.150 0.429 1.00 0.00 C ATOM 0 H LEU A 17 -1.188 2.731 0.488 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.469 2.795 -2.009 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.271 2.996 0.852 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.426 3.554 -0.343 1.00 0.00 H new ATOM 0 HG LEU A 17 -4.207 1.383 -1.521 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.373 -0.616 -0.384 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.081 0.537 -0.794 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.664 0.413 0.883 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -5.542 0.124 0.266 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.939 1.281 1.476 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -6.020 1.836 0.176 1.00 0.00 H new ATOM 303 N HIS A 18 -2.246 5.784 -0.540 1.00 0.00 N ATOM 304 CA HIS A 18 -2.243 7.230 -0.805 1.00 0.00 C ATOM 305 C HIS A 18 -1.356 7.549 -2.018 1.00 0.00 C ATOM 306 O HIS A 18 -1.838 8.200 -2.937 1.00 0.00 O ATOM 307 CB HIS A 18 -1.840 8.057 0.437 1.00 0.00 C ATOM 308 CG HIS A 18 -1.775 9.562 0.206 1.00 0.00 C ATOM 309 ND1 HIS A 18 -0.871 10.221 -0.587 1.00 0.00 N flip ATOM 310 CD2 HIS A 18 -2.582 10.527 0.771 1.00 0.00 C flip ATOM 311 CE1 HIS A 18 -1.136 11.599 -0.539 1.00 0.00 C flip ATOM 312 NE2 HIS A 18 -2.174 11.731 0.309 1.00 0.00 N flip ATOM 0 H HIS A 18 -1.998 5.546 0.420 1.00 0.00 H new ATOM 0 HA HIS A 18 -3.265 7.525 -1.042 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -2.553 7.856 1.237 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -0.865 7.714 0.785 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -3.395 10.352 1.460 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -0.618 12.385 -1.069 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -2.597 12.622 0.569 1.00 0.00 H new ATOM 320 N ALA A 19 -0.097 7.095 -2.053 1.00 0.00 N ATOM 321 CA ALA A 19 0.873 7.347 -3.129 1.00 0.00 C ATOM 322 C ALA A 19 0.288 7.269 -4.556 1.00 0.00 C ATOM 323 O ALA A 19 0.522 8.163 -5.377 1.00 0.00 O ATOM 324 CB ALA A 19 2.085 6.430 -2.950 1.00 0.00 C ATOM 0 H ALA A 19 0.290 6.520 -1.305 1.00 0.00 H new ATOM 0 HA ALA A 19 1.185 8.387 -3.034 1.00 0.00 H new ATOM 0 HB1 ALA A 19 2.804 6.617 -3.748 1.00 0.00 H new ATOM 0 HB2 ALA A 19 2.553 6.629 -1.986 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.763 5.389 -2.989 1.00 0.00 H new ATOM 330 N HIS A 20 -0.479 6.212 -4.856 1.00 0.00 N ATOM 331 CA HIS A 20 -1.166 6.010 -6.142 1.00 0.00 C ATOM 332 C HIS A 20 -2.453 6.845 -6.254 1.00 0.00 C ATOM 333 O HIS A 20 -2.658 7.507 -7.273 1.00 0.00 O ATOM 334 CB HIS A 20 -1.419 4.513 -6.348 1.00 0.00 C ATOM 335 CG HIS A 20 -2.146 4.181 -7.628 1.00 0.00 C ATOM 336 ND1 HIS A 20 -3.489 3.866 -7.749 1.00 0.00 N ATOM 337 CD2 HIS A 20 -1.581 4.138 -8.872 1.00 0.00 C ATOM 338 CE1 HIS A 20 -3.732 3.633 -9.056 1.00 0.00 C ATOM 339 NE2 HIS A 20 -2.590 3.794 -9.757 1.00 0.00 N ATOM 0 H HIS A 20 -0.644 5.453 -4.195 1.00 0.00 H new ATOM 0 HA HIS A 20 -0.521 6.368 -6.945 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -0.463 3.989 -6.340 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -1.997 4.134 -5.505 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -0.548 4.334 -9.118 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -4.689 3.361 -9.475 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -2.487 3.682 -10.766 1.00 0.00 H new ATOM 348 N LYS A 21 -3.309 6.848 -5.219 1.00 0.00 N ATOM 349 CA LYS A 21 -4.553 7.649 -5.150 1.00 0.00 C ATOM 350 C LYS A 21 -4.270 9.122 -5.479 1.00 0.00 C ATOM 351 O LYS A 21 -4.918 9.697 -6.346 1.00 0.00 O ATOM 352 CB LYS A 21 -5.199 7.490 -3.761 1.00 0.00 C ATOM 353 CG LYS A 21 -6.574 8.177 -3.672 1.00 0.00 C ATOM 354 CD LYS A 21 -7.094 8.309 -2.231 1.00 0.00 C ATOM 355 CE LYS A 21 -7.357 6.950 -1.571 1.00 0.00 C ATOM 356 NZ LYS A 21 -7.933 7.111 -0.207 1.00 0.00 N ATOM 0 H LYS A 21 -3.156 6.282 -4.385 1.00 0.00 H new ATOM 0 HA LYS A 21 -5.257 7.282 -5.897 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -5.310 6.430 -3.534 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -4.536 7.910 -3.005 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.507 9.169 -4.119 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -7.295 7.610 -4.261 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -6.368 8.863 -1.636 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -8.015 8.892 -2.233 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -8.041 6.369 -2.190 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -6.426 6.387 -1.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -8.099 6.174 0.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -7.269 7.644 0.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -8.834 7.627 -0.269 1.00 0.00 H new ATOM 370 N CYS A 22 -3.281 9.698 -4.806 1.00 0.00 N ATOM 371 CA CYS A 22 -2.738 11.045 -4.929 1.00 0.00 C ATOM 372 C CYS A 22 -2.451 11.399 -6.403 1.00 0.00 C ATOM 373 O CYS A 22 -3.028 12.350 -6.941 1.00 0.00 O ATOM 374 CB CYS A 22 -1.509 11.038 -4.003 1.00 0.00 C ATOM 375 SG CYS A 22 -0.517 12.552 -3.985 1.00 0.00 S ATOM 0 H CYS A 22 -2.787 9.176 -4.083 1.00 0.00 H new ATOM 0 HA CYS A 22 -3.428 11.833 -4.626 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -1.847 10.837 -2.986 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -0.864 10.209 -4.295 1.00 0.00 H new ATOM 0 HG CYS A 22 0.544 12.367 -3.257 1.00 0.00 H new ATOM 627 N HIS A 39 5.625 11.840 3.601 1.00 0.00 N ATOM 628 CA HIS A 39 6.294 10.658 3.027 1.00 0.00 C ATOM 629 C HIS A 39 5.620 10.008 1.810 1.00 0.00 C ATOM 630 O HIS A 39 6.129 9.010 1.304 1.00 0.00 O ATOM 631 CB HIS A 39 6.641 9.654 4.137 1.00 0.00 C ATOM 632 CG HIS A 39 7.879 10.087 4.880 1.00 0.00 C ATOM 633 ND1 HIS A 39 9.152 10.114 4.339 1.00 0.00 N ATOM 634 CD2 HIS A 39 7.942 10.567 6.159 1.00 0.00 C ATOM 635 CE1 HIS A 39 9.983 10.605 5.282 1.00 0.00 C ATOM 636 NE2 HIS A 39 9.270 10.887 6.395 1.00 0.00 N ATOM 0 HA HIS A 39 7.215 11.038 2.586 1.00 0.00 H new ATOM 0 HB2 HIS A 39 5.805 9.569 4.832 1.00 0.00 H new ATOM 0 HB3 HIS A 39 6.798 8.666 3.704 1.00 0.00 H new ATOM 0 HD2 HIS A 39 7.119 10.675 6.850 1.00 0.00 H new ATOM 0 HE1 HIS A 39 11.047 10.749 5.166 1.00 0.00 H new ATOM 0 HE2 HIS A 39 9.646 11.271 7.262 1.00 0.00 H new ATOM 645 N CYS A 40 4.531 10.575 1.292 1.00 0.00 N ATOM 646 CA CYS A 40 3.890 10.125 0.055 1.00 0.00 C ATOM 647 C CYS A 40 4.938 9.998 -1.079 1.00 0.00 C ATOM 648 O CYS A 40 5.050 8.950 -1.719 1.00 0.00 O ATOM 649 CB CYS A 40 2.770 11.126 -0.249 1.00 0.00 C ATOM 650 SG CYS A 40 2.063 10.843 -1.889 1.00 0.00 S ATOM 0 H CYS A 40 4.062 11.371 1.725 1.00 0.00 H new ATOM 0 HA CYS A 40 3.456 9.130 0.152 1.00 0.00 H new ATOM 0 HB2 CYS A 40 1.988 11.041 0.506 1.00 0.00 H new ATOM 0 HB3 CYS A 40 3.161 12.142 -0.190 1.00 0.00 H new ATOM 0 HG CYS A 40 0.840 10.421 -1.767 1.00 0.00 H new ATOM 655 N ARG A 41 5.779 11.029 -1.263 1.00 0.00 N ATOM 656 CA ARG A 41 6.916 11.060 -2.206 1.00 0.00 C ATOM 657 C ARG A 41 7.842 9.840 -2.076 1.00 0.00 C ATOM 658 O ARG A 41 8.246 9.271 -3.092 1.00 0.00 O ATOM 659 CB ARG A 41 7.659 12.404 -2.085 1.00 0.00 C ATOM 660 CG ARG A 41 8.419 12.576 -0.757 1.00 0.00 C ATOM 661 CD ARG A 41 8.757 14.042 -0.464 1.00 0.00 C ATOM 662 NE ARG A 41 7.552 14.779 -0.036 1.00 0.00 N ATOM 663 CZ ARG A 41 7.190 16.014 -0.327 1.00 0.00 C ATOM 664 NH1 ARG A 41 7.934 16.814 -1.038 1.00 0.00 N ATOM 665 NH2 ARG A 41 6.049 16.468 0.103 1.00 0.00 N ATOM 0 H ARG A 41 5.684 11.899 -0.740 1.00 0.00 H new ATOM 0 HA ARG A 41 6.518 10.987 -3.218 1.00 0.00 H new ATOM 0 HB2 ARG A 41 8.364 12.494 -2.911 1.00 0.00 H new ATOM 0 HB3 ARG A 41 6.940 13.217 -2.189 1.00 0.00 H new ATOM 0 HG2 ARG A 41 7.817 12.175 0.058 1.00 0.00 H new ATOM 0 HG3 ARG A 41 9.339 11.993 -0.790 1.00 0.00 H new ATOM 0 HD2 ARG A 41 9.518 14.096 0.314 1.00 0.00 H new ATOM 0 HD3 ARG A 41 9.178 14.509 -1.355 1.00 0.00 H new ATOM 0 HE ARG A 41 6.911 14.263 0.567 1.00 0.00 H new ATOM 0 HH11 ARG A 41 8.835 16.492 -1.393 1.00 0.00 H new ATOM 0 HH12 ARG A 41 7.616 17.762 -1.240 1.00 0.00 H new ATOM 0 HH21 ARG A 41 5.440 15.870 0.662 1.00 0.00 H new ATOM 0 HH22 ARG A 41 5.763 17.422 -0.119 1.00 0.00 H new ATOM 679 N THR A 42 8.143 9.404 -0.848 1.00 0.00 N ATOM 680 CA THR A 42 8.924 8.191 -0.545 1.00 0.00 C ATOM 681 C THR A 42 8.211 6.987 -1.163 1.00 0.00 C ATOM 682 O THR A 42 8.782 6.275 -1.988 1.00 0.00 O ATOM 683 CB THR A 42 9.097 7.984 0.977 1.00 0.00 C ATOM 684 OG1 THR A 42 9.586 9.160 1.599 1.00 0.00 O ATOM 685 CG2 THR A 42 10.053 6.841 1.316 1.00 0.00 C ATOM 0 H THR A 42 7.842 9.899 -0.008 1.00 0.00 H new ATOM 0 HA THR A 42 9.922 8.302 -0.969 1.00 0.00 H new ATOM 0 HB THR A 42 8.104 7.735 1.352 1.00 0.00 H new ATOM 0 HG1 THR A 42 9.264 9.199 2.524 1.00 0.00 H new ATOM 0 HG21 THR A 42 10.134 6.744 2.399 1.00 0.00 H new ATOM 0 HG22 THR A 42 9.671 5.911 0.896 1.00 0.00 H new ATOM 0 HG23 THR A 42 11.036 7.052 0.896 1.00 0.00 H new ATOM 693 N MET A 43 6.940 6.784 -0.808 1.00 0.00 N ATOM 694 CA MET A 43 6.094 5.714 -1.339 1.00 0.00 C ATOM 695 C MET A 43 5.944 5.771 -2.870 1.00 0.00 C ATOM 696 O MET A 43 5.926 4.711 -3.484 1.00 0.00 O ATOM 697 CB MET A 43 4.750 5.657 -0.610 1.00 0.00 C ATOM 698 CG MET A 43 4.777 4.892 0.718 1.00 0.00 C ATOM 699 SD MET A 43 5.983 5.386 1.983 1.00 0.00 S ATOM 700 CE MET A 43 7.338 4.263 1.540 1.00 0.00 C ATOM 0 H MET A 43 6.460 7.373 -0.128 1.00 0.00 H new ATOM 0 HA MET A 43 6.606 4.773 -1.139 1.00 0.00 H new ATOM 0 HB2 MET A 43 4.411 6.675 -0.421 1.00 0.00 H new ATOM 0 HB3 MET A 43 4.014 5.193 -1.267 1.00 0.00 H new ATOM 0 HG2 MET A 43 3.784 4.964 1.162 1.00 0.00 H new ATOM 0 HG3 MET A 43 4.949 3.840 0.490 1.00 0.00 H new ATOM 0 HE1 MET A 43 8.033 4.184 2.376 1.00 0.00 H new ATOM 0 HE2 MET A 43 6.933 3.277 1.310 1.00 0.00 H new ATOM 0 HE3 MET A 43 7.863 4.652 0.667 1.00 0.00 H new ATOM 710 N LYS A 44 5.875 6.944 -3.520 1.00 0.00 N ATOM 711 CA LYS A 44 5.830 7.064 -4.996 1.00 0.00 C ATOM 712 C LYS A 44 7.108 6.536 -5.655 1.00 0.00 C ATOM 713 O LYS A 44 7.030 5.775 -6.620 1.00 0.00 O ATOM 714 CB LYS A 44 5.583 8.505 -5.457 1.00 0.00 C ATOM 715 CG LYS A 44 4.156 8.995 -5.181 1.00 0.00 C ATOM 716 CD LYS A 44 3.914 10.309 -5.953 1.00 0.00 C ATOM 717 CE LYS A 44 2.995 11.328 -5.267 1.00 0.00 C ATOM 718 NZ LYS A 44 1.733 10.748 -4.770 1.00 0.00 N ATOM 0 H LYS A 44 5.848 7.843 -3.039 1.00 0.00 H new ATOM 0 HA LYS A 44 4.988 6.449 -5.313 1.00 0.00 H new ATOM 0 HB2 LYS A 44 6.290 9.166 -4.955 1.00 0.00 H new ATOM 0 HB3 LYS A 44 5.784 8.576 -6.526 1.00 0.00 H new ATOM 0 HG2 LYS A 44 3.433 8.240 -5.489 1.00 0.00 H new ATOM 0 HG3 LYS A 44 4.014 9.155 -4.112 1.00 0.00 H new ATOM 0 HD2 LYS A 44 4.878 10.783 -6.136 1.00 0.00 H new ATOM 0 HD3 LYS A 44 3.490 10.063 -6.926 1.00 0.00 H new ATOM 0 HE2 LYS A 44 3.529 11.782 -4.432 1.00 0.00 H new ATOM 0 HE3 LYS A 44 2.765 12.128 -5.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 0.957 11.424 -4.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 1.529 9.868 -5.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 1.822 10.543 -3.754 1.00 0.00 H new ATOM 732 N ASN A 45 8.280 6.918 -5.139 1.00 0.00 N ATOM 733 CA ASN A 45 9.580 6.426 -5.624 1.00 0.00 C ATOM 734 C ASN A 45 9.629 4.890 -5.523 1.00 0.00 C ATOM 735 O ASN A 45 9.986 4.204 -6.482 1.00 0.00 O ATOM 736 CB ASN A 45 10.728 7.092 -4.843 1.00 0.00 C ATOM 737 CG ASN A 45 11.081 8.464 -5.389 1.00 0.00 C ATOM 738 OD1 ASN A 45 11.970 8.616 -6.217 1.00 0.00 O ATOM 739 ND2 ASN A 45 10.408 9.506 -4.959 1.00 0.00 N ATOM 0 H ASN A 45 8.358 7.581 -4.368 1.00 0.00 H new ATOM 0 HA ASN A 45 9.703 6.694 -6.673 1.00 0.00 H new ATOM 0 HB2 ASN A 45 10.445 7.183 -3.794 1.00 0.00 H new ATOM 0 HB3 ASN A 45 11.609 6.451 -4.881 1.00 0.00 H new ATOM 0 HD21 ASN A 45 10.627 10.437 -5.315 1.00 0.00 H new ATOM 0 HD22 ASN A 45 9.666 9.385 -4.269 1.00 0.00 H new ATOM 746 N VAL A 46 9.224 4.366 -4.361 1.00 0.00 N ATOM 747 CA VAL A 46 9.093 2.934 -4.054 1.00 0.00 C ATOM 748 C VAL A 46 8.155 2.263 -5.065 1.00 0.00 C ATOM 749 O VAL A 46 8.593 1.366 -5.772 1.00 0.00 O ATOM 750 CB VAL A 46 8.649 2.765 -2.590 1.00 0.00 C ATOM 751 CG1 VAL A 46 8.209 1.348 -2.213 1.00 0.00 C ATOM 752 CG2 VAL A 46 9.804 3.181 -1.672 1.00 0.00 C ATOM 0 H VAL A 46 8.966 4.956 -3.570 1.00 0.00 H new ATOM 0 HA VAL A 46 10.054 2.429 -4.153 1.00 0.00 H new ATOM 0 HB VAL A 46 7.771 3.399 -2.467 1.00 0.00 H new ATOM 0 HG11 VAL A 46 7.914 1.326 -1.164 1.00 0.00 H new ATOM 0 HG12 VAL A 46 7.363 1.052 -2.834 1.00 0.00 H new ATOM 0 HG13 VAL A 46 9.036 0.656 -2.372 1.00 0.00 H new ATOM 0 HG21 VAL A 46 9.501 3.066 -0.631 1.00 0.00 H new ATOM 0 HG22 VAL A 46 10.671 2.551 -1.870 1.00 0.00 H new ATOM 0 HG23 VAL A 46 10.062 4.223 -1.861 1.00 0.00 H new ATOM 762 N LEU A 47 6.902 2.720 -5.178 1.00 0.00 N ATOM 763 CA LEU A 47 5.847 2.304 -6.115 1.00 0.00 C ATOM 764 C LEU A 47 6.376 2.143 -7.547 1.00 0.00 C ATOM 765 O LEU A 47 6.252 1.059 -8.117 1.00 0.00 O ATOM 766 CB LEU A 47 4.681 3.311 -5.994 1.00 0.00 C ATOM 767 CG LEU A 47 3.404 3.078 -6.815 1.00 0.00 C ATOM 768 CD1 LEU A 47 3.487 3.467 -8.289 1.00 0.00 C ATOM 769 CD2 LEU A 47 2.949 1.635 -6.712 1.00 0.00 C ATOM 0 H LEU A 47 6.568 3.459 -4.559 1.00 0.00 H new ATOM 0 HA LEU A 47 5.479 1.311 -5.855 1.00 0.00 H new ATOM 0 HB2 LEU A 47 4.393 3.355 -4.944 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.068 4.295 -6.260 1.00 0.00 H new ATOM 0 HG LEU A 47 2.677 3.754 -6.365 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.533 3.261 -8.774 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.715 4.530 -8.373 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.273 2.888 -8.774 1.00 0.00 H new ATOM 0 HD21 LEU A 47 2.043 1.496 -7.302 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.733 0.979 -7.090 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.744 1.392 -5.670 1.00 0.00 H new ATOM 781 N ASN A 48 6.985 3.195 -8.111 1.00 0.00 N ATOM 782 CA ASN A 48 7.592 3.180 -9.445 1.00 0.00 C ATOM 783 C ASN A 48 8.560 1.996 -9.601 1.00 0.00 C ATOM 784 O ASN A 48 8.385 1.156 -10.486 1.00 0.00 O ATOM 785 CB ASN A 48 8.305 4.521 -9.700 1.00 0.00 C ATOM 786 CG ASN A 48 9.102 4.502 -10.998 1.00 0.00 C ATOM 787 OD1 ASN A 48 8.586 4.268 -12.083 1.00 0.00 O ATOM 788 ND2 ASN A 48 10.398 4.711 -10.932 1.00 0.00 N ATOM 0 H ASN A 48 7.070 4.097 -7.642 1.00 0.00 H new ATOM 0 HA ASN A 48 6.806 3.052 -10.190 1.00 0.00 H new ATOM 0 HB2 ASN A 48 7.568 5.323 -9.738 1.00 0.00 H new ATOM 0 HB3 ASN A 48 8.973 4.741 -8.867 1.00 0.00 H new ATOM 0 HD21 ASN A 48 10.964 4.677 -11.780 1.00 0.00 H new ATOM 0 HD22 ASN A 48 10.838 4.907 -10.033 1.00 0.00 H new ATOM 795 N HIS A 49 9.574 1.917 -8.734 1.00 0.00 N ATOM 796 CA HIS A 49 10.540 0.822 -8.737 1.00 0.00 C ATOM 797 C HIS A 49 9.837 -0.544 -8.580 1.00 0.00 C ATOM 798 O HIS A 49 10.119 -1.449 -9.361 1.00 0.00 O ATOM 799 CB HIS A 49 11.630 1.079 -7.689 1.00 0.00 C ATOM 800 CG HIS A 49 12.644 -0.039 -7.625 1.00 0.00 C ATOM 801 ND1 HIS A 49 12.508 -1.178 -6.882 1.00 0.00 N flip ATOM 802 CD2 HIS A 49 13.776 -0.186 -8.400 1.00 0.00 C flip ATOM 803 CE1 HIS A 49 13.562 -2.044 -7.207 1.00 0.00 C flip ATOM 804 NE2 HIS A 49 14.295 -1.404 -8.135 1.00 0.00 N flip ATOM 0 H HIS A 49 9.746 2.614 -8.010 1.00 0.00 H new ATOM 0 HA HIS A 49 11.039 0.782 -9.705 1.00 0.00 H new ATOM 0 HB2 HIS A 49 12.139 2.015 -7.921 1.00 0.00 H new ATOM 0 HB3 HIS A 49 11.167 1.202 -6.710 1.00 0.00 H new ATOM 0 HD2 HIS A 49 14.174 0.541 -9.092 1.00 0.00 H new ATOM 0 HE1 HIS A 49 13.747 -3.025 -6.796 1.00 0.00 H new ATOM 0 HE2 HIS A 49 15.130 -1.787 -8.579 1.00 0.00 H new ATOM 812 N MET A 50 8.900 -0.688 -7.632 1.00 0.00 N ATOM 813 CA MET A 50 8.102 -1.894 -7.350 1.00 0.00 C ATOM 814 C MET A 50 7.513 -2.534 -8.619 1.00 0.00 C ATOM 815 O MET A 50 7.584 -3.752 -8.785 1.00 0.00 O ATOM 816 CB MET A 50 6.968 -1.596 -6.343 1.00 0.00 C ATOM 817 CG MET A 50 6.919 -2.605 -5.191 1.00 0.00 C ATOM 818 SD MET A 50 5.300 -2.918 -4.427 1.00 0.00 S ATOM 819 CE MET A 50 4.550 -1.270 -4.319 1.00 0.00 C ATOM 0 H MET A 50 8.663 0.079 -7.003 1.00 0.00 H new ATOM 0 HA MET A 50 8.795 -2.612 -6.910 1.00 0.00 H new ATOM 0 HB2 MET A 50 7.103 -0.594 -5.937 1.00 0.00 H new ATOM 0 HB3 MET A 50 6.012 -1.602 -6.867 1.00 0.00 H new ATOM 0 HG2 MET A 50 7.309 -3.555 -5.557 1.00 0.00 H new ATOM 0 HG3 MET A 50 7.599 -2.261 -4.412 1.00 0.00 H new ATOM 0 HE1 MET A 50 3.561 -1.349 -3.868 1.00 0.00 H new ATOM 0 HE2 MET A 50 5.178 -0.624 -3.706 1.00 0.00 H new ATOM 0 HE3 MET A 50 4.460 -0.845 -5.319 1.00 0.00 H new ATOM 829 N THR A 51 6.926 -1.729 -9.515 1.00 0.00 N ATOM 830 CA THR A 51 6.363 -2.200 -10.794 1.00 0.00 C ATOM 831 C THR A 51 7.423 -2.788 -11.732 1.00 0.00 C ATOM 832 O THR A 51 7.186 -3.831 -12.345 1.00 0.00 O ATOM 833 CB THR A 51 5.563 -1.118 -11.551 1.00 0.00 C ATOM 834 OG1 THR A 51 5.806 0.202 -11.112 1.00 0.00 O ATOM 835 CG2 THR A 51 4.066 -1.350 -11.379 1.00 0.00 C ATOM 0 H THR A 51 6.826 -0.724 -9.374 1.00 0.00 H new ATOM 0 HA THR A 51 5.673 -2.991 -10.502 1.00 0.00 H new ATOM 0 HB THR A 51 5.893 -1.211 -12.586 1.00 0.00 H new ATOM 0 HG1 THR A 51 6.772 0.351 -11.042 1.00 0.00 H new ATOM 0 HG21 THR A 51 3.514 -0.580 -11.918 1.00 0.00 H new ATOM 0 HG22 THR A 51 3.802 -2.330 -11.776 1.00 0.00 H new ATOM 0 HG23 THR A 51 3.810 -1.306 -10.320 1.00 0.00 H new ATOM 843 N HIS A 52 8.585 -2.136 -11.862 1.00 0.00 N ATOM 844 CA HIS A 52 9.704 -2.590 -12.707 1.00 0.00 C ATOM 845 C HIS A 52 10.421 -3.819 -12.117 1.00 0.00 C ATOM 846 O HIS A 52 10.784 -4.737 -12.859 1.00 0.00 O ATOM 847 CB HIS A 52 10.690 -1.431 -12.944 1.00 0.00 C ATOM 848 CG HIS A 52 10.038 -0.179 -13.487 1.00 0.00 C ATOM 849 ND1 HIS A 52 9.218 -0.097 -14.600 1.00 0.00 N ATOM 850 CD2 HIS A 52 10.090 1.057 -12.909 1.00 0.00 C ATOM 851 CE1 HIS A 52 8.758 1.170 -14.674 1.00 0.00 C ATOM 852 NE2 HIS A 52 9.270 1.888 -13.651 1.00 0.00 N ATOM 0 H HIS A 52 8.781 -1.261 -11.375 1.00 0.00 H new ATOM 0 HA HIS A 52 9.290 -2.904 -13.665 1.00 0.00 H new ATOM 0 HB2 HIS A 52 11.189 -1.192 -12.005 1.00 0.00 H new ATOM 0 HB3 HIS A 52 11.462 -1.759 -13.640 1.00 0.00 H new ATOM 0 HD2 HIS A 52 10.663 1.334 -12.037 1.00 0.00 H new ATOM 0 HE1 HIS A 52 8.087 1.549 -15.431 1.00 0.00 H new ATOM 0 HE2 HIS A 52 9.084 2.872 -13.459 1.00 0.00 H new ATOM 861 N CYS A 53 10.638 -3.825 -10.801 1.00 0.00 N ATOM 862 CA CYS A 53 11.289 -4.872 -10.020 1.00 0.00 C ATOM 863 C CYS A 53 10.537 -6.220 -10.118 1.00 0.00 C ATOM 864 O CYS A 53 9.307 -6.271 -10.233 1.00 0.00 O ATOM 865 CB CYS A 53 11.395 -4.364 -8.574 1.00 0.00 C ATOM 866 SG CYS A 53 12.490 -5.409 -7.562 1.00 0.00 S ATOM 0 H CYS A 53 10.343 -3.044 -10.215 1.00 0.00 H new ATOM 0 HA CYS A 53 12.284 -5.076 -10.415 1.00 0.00 H new ATOM 0 HB2 CYS A 53 11.771 -3.341 -8.576 1.00 0.00 H new ATOM 0 HB3 CYS A 53 10.402 -4.338 -8.125 1.00 0.00 H new ATOM 0 HG CYS A 53 12.462 -4.999 -6.329 1.00 0.00 H new ATOM 871 N GLN A 54 11.290 -7.320 -10.071 1.00 0.00 N ATOM 872 CA GLN A 54 10.795 -8.704 -10.154 1.00 0.00 C ATOM 873 C GLN A 54 11.377 -9.618 -9.058 1.00 0.00 C ATOM 874 O GLN A 54 11.041 -10.805 -9.000 1.00 0.00 O ATOM 875 CB GLN A 54 11.112 -9.280 -11.546 1.00 0.00 C ATOM 876 CG GLN A 54 10.459 -8.492 -12.694 1.00 0.00 C ATOM 877 CD GLN A 54 10.729 -9.134 -14.053 1.00 0.00 C ATOM 878 OE1 GLN A 54 10.055 -10.064 -14.482 1.00 0.00 O ATOM 879 NE2 GLN A 54 11.718 -8.667 -14.789 1.00 0.00 N ATOM 0 H GLN A 54 12.304 -7.274 -9.970 1.00 0.00 H new ATOM 0 HA GLN A 54 9.717 -8.672 -9.994 1.00 0.00 H new ATOM 0 HB2 GLN A 54 12.192 -9.290 -11.690 1.00 0.00 H new ATOM 0 HB3 GLN A 54 10.775 -10.316 -11.588 1.00 0.00 H new ATOM 0 HG2 GLN A 54 9.383 -8.433 -12.528 1.00 0.00 H new ATOM 0 HG3 GLN A 54 10.838 -7.470 -12.694 1.00 0.00 H new ATOM 0 HE21 GLN A 54 12.288 -7.894 -14.446 1.00 0.00 H new ATOM 0 HE22 GLN A 54 11.913 -9.079 -15.701 1.00 0.00 H new ATOM 888 N ALA A 55 12.253 -9.093 -8.194 1.00 0.00 N ATOM 889 CA ALA A 55 12.903 -9.843 -7.125 1.00 0.00 C ATOM 890 C ALA A 55 12.000 -9.961 -5.881 1.00 0.00 C ATOM 891 O ALA A 55 11.528 -11.054 -5.558 1.00 0.00 O ATOM 892 CB ALA A 55 14.262 -9.199 -6.818 1.00 0.00 C ATOM 0 H ALA A 55 12.533 -8.113 -8.223 1.00 0.00 H new ATOM 0 HA ALA A 55 13.077 -10.868 -7.453 1.00 0.00 H new ATOM 0 HB1 ALA A 55 14.755 -9.753 -6.020 1.00 0.00 H new ATOM 0 HB2 ALA A 55 14.885 -9.220 -7.712 1.00 0.00 H new ATOM 0 HB3 ALA A 55 14.112 -8.166 -6.504 1.00 0.00 H new ATOM 898 N GLY A 56 11.770 -8.853 -5.165 1.00 0.00 N ATOM 899 CA GLY A 56 10.951 -8.795 -3.947 1.00 0.00 C ATOM 900 C GLY A 56 11.649 -9.409 -2.737 1.00 0.00 C ATOM 901 O GLY A 56 12.122 -8.697 -1.851 1.00 0.00 O ATOM 0 H GLY A 56 12.159 -7.947 -5.424 1.00 0.00 H new ATOM 0 HA2 GLY A 56 10.704 -7.756 -3.730 1.00 0.00 H new ATOM 0 HA3 GLY A 56 10.010 -9.317 -4.122 1.00 0.00 H new ATOM 905 N LYS A 57 11.740 -10.742 -2.726 1.00 0.00 N ATOM 906 CA LYS A 57 12.410 -11.553 -1.701 1.00 0.00 C ATOM 907 C LYS A 57 13.883 -11.152 -1.531 1.00 0.00 C ATOM 908 O LYS A 57 14.370 -11.048 -0.405 1.00 0.00 O ATOM 909 CB LYS A 57 12.317 -13.045 -2.076 1.00 0.00 C ATOM 910 CG LYS A 57 10.888 -13.618 -2.100 1.00 0.00 C ATOM 911 CD LYS A 57 10.193 -13.678 -0.730 1.00 0.00 C ATOM 912 CE LYS A 57 10.894 -14.660 0.217 1.00 0.00 C ATOM 913 NZ LYS A 57 10.100 -14.906 1.447 1.00 0.00 N ATOM 0 H LYS A 57 11.330 -11.313 -3.465 1.00 0.00 H new ATOM 0 HA LYS A 57 11.904 -11.376 -0.752 1.00 0.00 H new ATOM 0 HB2 LYS A 57 12.766 -13.187 -3.059 1.00 0.00 H new ATOM 0 HB3 LYS A 57 12.912 -13.621 -1.367 1.00 0.00 H new ATOM 0 HG2 LYS A 57 10.281 -13.013 -2.773 1.00 0.00 H new ATOM 0 HG3 LYS A 57 10.922 -14.624 -2.518 1.00 0.00 H new ATOM 0 HD2 LYS A 57 10.184 -12.684 -0.282 1.00 0.00 H new ATOM 0 HD3 LYS A 57 9.153 -13.978 -0.862 1.00 0.00 H new ATOM 0 HE2 LYS A 57 11.064 -15.604 -0.300 1.00 0.00 H new ATOM 0 HE3 LYS A 57 11.873 -14.265 0.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 10.652 -15.493 2.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 9.872 -13.998 1.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 9.219 -15.399 1.199 1.00 0.00 H new ATOM 927 N ALA A 58 14.582 -10.968 -2.655 1.00 0.00 N ATOM 928 CA ALA A 58 16.014 -10.669 -2.733 1.00 0.00 C ATOM 929 C ALA A 58 16.387 -9.195 -3.016 1.00 0.00 C ATOM 930 O ALA A 58 17.579 -8.872 -2.978 1.00 0.00 O ATOM 931 CB ALA A 58 16.619 -11.608 -3.787 1.00 0.00 C ATOM 0 H ALA A 58 14.146 -11.026 -3.575 1.00 0.00 H new ATOM 0 HA ALA A 58 16.431 -10.836 -1.740 1.00 0.00 H new ATOM 0 HB1 ALA A 58 17.688 -11.416 -3.875 1.00 0.00 H new ATOM 0 HB2 ALA A 58 16.460 -12.643 -3.486 1.00 0.00 H new ATOM 0 HB3 ALA A 58 16.139 -11.432 -4.749 1.00 0.00 H new ATOM 937 N CYS A 59 15.427 -8.294 -3.285 1.00 0.00 N ATOM 938 CA CYS A 59 15.731 -6.880 -3.536 1.00 0.00 C ATOM 939 C CYS A 59 16.278 -6.230 -2.246 1.00 0.00 C ATOM 940 O CYS A 59 15.672 -6.314 -1.172 1.00 0.00 O ATOM 941 CB CYS A 59 14.499 -6.152 -4.103 1.00 0.00 C ATOM 942 SG CYS A 59 14.990 -4.627 -4.992 1.00 0.00 S ATOM 0 H CYS A 59 14.434 -8.523 -3.334 1.00 0.00 H new ATOM 0 HA CYS A 59 16.509 -6.797 -4.295 1.00 0.00 H new ATOM 0 HB2 CYS A 59 13.960 -6.815 -4.780 1.00 0.00 H new ATOM 0 HB3 CYS A 59 13.815 -5.901 -3.292 1.00 0.00 H new ATOM 0 HG CYS A 59 13.992 -3.794 -5.009 1.00 0.00 H new ATOM 947 N GLN A 60 17.465 -5.626 -2.345 1.00 0.00 N ATOM 948 CA GLN A 60 18.187 -5.007 -1.226 1.00 0.00 C ATOM 949 C GLN A 60 17.446 -3.808 -0.605 1.00 0.00 C ATOM 950 O GLN A 60 17.588 -3.548 0.593 1.00 0.00 O ATOM 951 CB GLN A 60 19.597 -4.589 -1.673 1.00 0.00 C ATOM 952 CG GLN A 60 20.467 -5.792 -2.076 1.00 0.00 C ATOM 953 CD GLN A 60 21.896 -5.371 -2.410 1.00 0.00 C ATOM 954 OE1 GLN A 60 22.812 -5.469 -1.600 1.00 0.00 O ATOM 955 NE2 GLN A 60 22.152 -4.887 -3.609 1.00 0.00 N ATOM 0 H GLN A 60 17.966 -5.551 -3.230 1.00 0.00 H new ATOM 0 HA GLN A 60 18.254 -5.764 -0.444 1.00 0.00 H new ATOM 0 HB2 GLN A 60 19.519 -3.902 -2.516 1.00 0.00 H new ATOM 0 HB3 GLN A 60 20.085 -4.046 -0.864 1.00 0.00 H new ATOM 0 HG2 GLN A 60 20.482 -6.518 -1.263 1.00 0.00 H new ATOM 0 HG3 GLN A 60 20.023 -6.289 -2.939 1.00 0.00 H new ATOM 0 HE21 GLN A 60 21.402 -4.799 -4.294 1.00 0.00 H new ATOM 0 HE22 GLN A 60 23.100 -4.601 -3.852 1.00 0.00 H new ATOM 964 N VAL A 61 16.666 -3.072 -1.403 1.00 0.00 N ATOM 965 CA VAL A 61 15.888 -1.901 -0.970 1.00 0.00 C ATOM 966 C VAL A 61 14.781 -2.335 0.005 1.00 0.00 C ATOM 967 O VAL A 61 13.844 -3.046 -0.363 1.00 0.00 O ATOM 968 CB VAL A 61 15.314 -1.142 -2.187 1.00 0.00 C ATOM 969 CG1 VAL A 61 14.564 0.128 -1.756 1.00 0.00 C ATOM 970 CG2 VAL A 61 16.416 -0.715 -3.170 1.00 0.00 C ATOM 0 H VAL A 61 16.554 -3.278 -2.396 1.00 0.00 H new ATOM 0 HA VAL A 61 16.549 -1.212 -0.444 1.00 0.00 H new ATOM 0 HB VAL A 61 14.632 -1.839 -2.674 1.00 0.00 H new ATOM 0 HG11 VAL A 61 14.174 0.637 -2.637 1.00 0.00 H new ATOM 0 HG12 VAL A 61 13.738 -0.143 -1.098 1.00 0.00 H new ATOM 0 HG13 VAL A 61 15.247 0.792 -1.227 1.00 0.00 H new ATOM 0 HG21 VAL A 61 15.968 -0.185 -4.011 1.00 0.00 H new ATOM 0 HG22 VAL A 61 17.123 -0.059 -2.662 1.00 0.00 H new ATOM 0 HG23 VAL A 61 16.940 -1.598 -3.536 1.00 0.00 H new ATOM 980 N ALA A 62 14.890 -1.897 1.264 1.00 0.00 N ATOM 981 CA ALA A 62 13.973 -2.192 2.373 1.00 0.00 C ATOM 982 C ALA A 62 12.490 -2.014 1.998 1.00 0.00 C ATOM 983 O ALA A 62 11.673 -2.933 2.123 1.00 0.00 O ATOM 984 CB ALA A 62 14.387 -1.300 3.556 1.00 0.00 C ATOM 0 H ALA A 62 15.661 -1.295 1.553 1.00 0.00 H new ATOM 0 HA ALA A 62 14.055 -3.245 2.643 1.00 0.00 H new ATOM 0 HB1 ALA A 62 13.728 -1.490 4.403 1.00 0.00 H new ATOM 0 HB2 ALA A 62 15.415 -1.525 3.839 1.00 0.00 H new ATOM 0 HB3 ALA A 62 14.312 -0.252 3.265 1.00 0.00 H new ATOM 990 N HIS A 63 12.144 -0.815 1.525 1.00 0.00 N ATOM 991 CA HIS A 63 10.789 -0.429 1.114 1.00 0.00 C ATOM 992 C HIS A 63 10.240 -1.266 -0.052 1.00 0.00 C ATOM 993 O HIS A 63 9.092 -1.698 0.018 1.00 0.00 O ATOM 994 CB HIS A 63 10.758 1.073 0.809 1.00 0.00 C ATOM 995 CG HIS A 63 11.252 1.927 1.952 1.00 0.00 C ATOM 996 ND1 HIS A 63 12.401 2.699 1.959 1.00 0.00 N ATOM 997 CD2 HIS A 63 10.682 1.997 3.191 1.00 0.00 C ATOM 998 CE1 HIS A 63 12.538 3.209 3.201 1.00 0.00 C ATOM 999 NE2 HIS A 63 11.510 2.787 3.966 1.00 0.00 N ATOM 0 H HIS A 63 12.820 -0.060 1.413 1.00 0.00 H new ATOM 0 HA HIS A 63 10.118 -0.641 1.947 1.00 0.00 H new ATOM 0 HB2 HIS A 63 11.368 1.270 -0.072 1.00 0.00 H new ATOM 0 HB3 HIS A 63 9.737 1.365 0.562 1.00 0.00 H new ATOM 0 HD2 HIS A 63 9.762 1.526 3.505 1.00 0.00 H new ATOM 0 HE1 HIS A 63 13.341 3.852 3.530 1.00 0.00 H new ATOM 0 HE2 HIS A 63 11.368 3.013 4.950 1.00 0.00 H new ATOM 1008 N CYS A 64 11.037 -1.512 -1.096 1.00 0.00 N ATOM 1009 CA CYS A 64 10.682 -2.338 -2.261 1.00 0.00 C ATOM 1010 C CYS A 64 10.258 -3.753 -1.821 1.00 0.00 C ATOM 1011 O CYS A 64 9.181 -4.252 -2.176 1.00 0.00 O ATOM 1012 CB CYS A 64 11.900 -2.385 -3.194 1.00 0.00 C ATOM 1013 SG CYS A 64 11.572 -3.401 -4.659 1.00 0.00 S ATOM 0 H CYS A 64 11.981 -1.130 -1.158 1.00 0.00 H new ATOM 0 HA CYS A 64 9.831 -1.904 -2.787 1.00 0.00 H new ATOM 0 HB2 CYS A 64 12.163 -1.373 -3.503 1.00 0.00 H new ATOM 0 HB3 CYS A 64 12.758 -2.787 -2.655 1.00 0.00 H new ATOM 0 HG CYS A 64 11.603 -2.653 -5.722 1.00 0.00 H new ATOM 1018 N ALA A 65 11.098 -4.382 -0.993 1.00 0.00 N ATOM 1019 CA ALA A 65 10.842 -5.686 -0.404 1.00 0.00 C ATOM 1020 C ALA A 65 9.511 -5.670 0.365 1.00 0.00 C ATOM 1021 O ALA A 65 8.625 -6.464 0.062 1.00 0.00 O ATOM 1022 CB ALA A 65 12.035 -6.089 0.474 1.00 0.00 C ATOM 0 H ALA A 65 11.994 -3.983 -0.712 1.00 0.00 H new ATOM 0 HA ALA A 65 10.740 -6.440 -1.184 1.00 0.00 H new ATOM 0 HB1 ALA A 65 11.847 -7.067 0.918 1.00 0.00 H new ATOM 0 HB2 ALA A 65 12.937 -6.135 -0.136 1.00 0.00 H new ATOM 0 HB3 ALA A 65 12.170 -5.352 1.265 1.00 0.00 H new ATOM 1028 N SER A 66 9.369 -4.766 1.343 1.00 0.00 N ATOM 1029 CA SER A 66 8.210 -4.574 2.237 1.00 0.00 C ATOM 1030 C SER A 66 6.867 -4.294 1.545 1.00 0.00 C ATOM 1031 O SER A 66 5.866 -4.946 1.853 1.00 0.00 O ATOM 1032 CB SER A 66 8.484 -3.422 3.206 1.00 0.00 C ATOM 1033 OG SER A 66 9.674 -3.662 3.921 1.00 0.00 O ATOM 0 H SER A 66 10.113 -4.099 1.548 1.00 0.00 H new ATOM 0 HA SER A 66 8.103 -5.534 2.741 1.00 0.00 H new ATOM 0 HB2 SER A 66 8.564 -2.485 2.655 1.00 0.00 H new ATOM 0 HB3 SER A 66 7.650 -3.314 3.899 1.00 0.00 H new ATOM 0 HG SER A 66 10.443 -3.403 3.372 1.00 0.00 H new ATOM 1039 N SER A 67 6.824 -3.310 0.642 1.00 0.00 N ATOM 1040 CA SER A 67 5.627 -2.846 -0.085 1.00 0.00 C ATOM 1041 C SER A 67 4.853 -3.945 -0.819 1.00 0.00 C ATOM 1042 O SER A 67 3.628 -3.874 -0.921 1.00 0.00 O ATOM 1043 CB SER A 67 5.950 -1.665 -1.002 1.00 0.00 C ATOM 1044 OG SER A 67 7.068 -1.909 -1.824 1.00 0.00 O ATOM 0 H SER A 67 7.660 -2.787 0.382 1.00 0.00 H new ATOM 0 HA SER A 67 4.943 -2.502 0.690 1.00 0.00 H new ATOM 0 HB2 SER A 67 5.084 -1.448 -1.627 1.00 0.00 H new ATOM 0 HB3 SER A 67 6.136 -0.779 -0.395 1.00 0.00 H new ATOM 0 HG SER A 67 7.890 -1.769 -1.309 1.00 0.00 H new ATOM 1050 N ARG A 68 5.523 -5.001 -1.284 1.00 0.00 N ATOM 1051 CA ARG A 68 4.847 -6.166 -1.876 1.00 0.00 C ATOM 1052 C ARG A 68 3.886 -6.833 -0.883 1.00 0.00 C ATOM 1053 O ARG A 68 2.712 -6.996 -1.206 1.00 0.00 O ATOM 1054 CB ARG A 68 5.866 -7.163 -2.425 1.00 0.00 C ATOM 1055 CG ARG A 68 6.589 -6.606 -3.660 1.00 0.00 C ATOM 1056 CD ARG A 68 7.649 -7.626 -4.083 1.00 0.00 C ATOM 1057 NE ARG A 68 8.261 -7.333 -5.386 1.00 0.00 N ATOM 1058 CZ ARG A 68 9.189 -6.443 -5.664 1.00 0.00 C ATOM 1059 NH1 ARG A 68 9.555 -5.537 -4.817 1.00 0.00 N ATOM 1060 NH2 ARG A 68 9.779 -6.500 -6.814 1.00 0.00 N ATOM 0 H ARG A 68 6.540 -5.077 -1.263 1.00 0.00 H new ATOM 0 HA ARG A 68 4.243 -5.809 -2.710 1.00 0.00 H new ATOM 0 HB2 ARG A 68 6.596 -7.402 -1.652 1.00 0.00 H new ATOM 0 HB3 ARG A 68 5.362 -8.094 -2.686 1.00 0.00 H new ATOM 0 HG2 ARG A 68 5.881 -6.432 -4.471 1.00 0.00 H new ATOM 0 HG3 ARG A 68 7.053 -5.647 -3.431 1.00 0.00 H new ATOM 0 HD2 ARG A 68 8.430 -7.661 -3.324 1.00 0.00 H new ATOM 0 HD3 ARG A 68 7.194 -8.616 -4.119 1.00 0.00 H new ATOM 0 HE ARG A 68 7.925 -7.888 -6.173 1.00 0.00 H new ATOM 0 HH11 ARG A 68 9.120 -5.495 -3.895 1.00 0.00 H new ATOM 0 HH12 ARG A 68 10.279 -4.864 -5.071 1.00 0.00 H new ATOM 0 HH21 ARG A 68 9.522 -7.225 -7.484 1.00 0.00 H new ATOM 0 HH22 ARG A 68 10.502 -5.820 -7.051 1.00 0.00 H new ATOM 1074 N GLN A 69 4.347 -7.218 0.316 1.00 0.00 N ATOM 1075 CA GLN A 69 3.523 -7.881 1.350 1.00 0.00 C ATOM 1076 C GLN A 69 2.252 -7.102 1.706 1.00 0.00 C ATOM 1077 O GLN A 69 1.185 -7.708 1.759 1.00 0.00 O ATOM 1078 CB GLN A 69 4.274 -8.151 2.665 1.00 0.00 C ATOM 1079 CG GLN A 69 5.347 -9.251 2.619 1.00 0.00 C ATOM 1080 CD GLN A 69 6.636 -8.857 1.914 1.00 0.00 C ATOM 1081 OE1 GLN A 69 6.958 -7.592 1.872 1.00 0.00 O flip ATOM 1082 NE2 GLN A 69 7.398 -9.670 1.420 1.00 0.00 N flip ATOM 0 H GLN A 69 5.316 -7.078 0.603 1.00 0.00 H new ATOM 0 HA GLN A 69 3.261 -8.828 0.879 1.00 0.00 H new ATOM 0 HB2 GLN A 69 4.748 -7.223 2.986 1.00 0.00 H new ATOM 0 HB3 GLN A 69 3.543 -8.417 3.429 1.00 0.00 H new ATOM 0 HG2 GLN A 69 5.585 -9.550 3.640 1.00 0.00 H new ATOM 0 HG3 GLN A 69 4.929 -10.125 2.120 1.00 0.00 H new ATOM 0 HE21 GLN A 69 7.167 -10.663 1.441 1.00 0.00 H new ATOM 0 HE22 GLN A 69 8.266 -9.357 0.986 1.00 0.00 H new ATOM 1091 N ILE A 70 2.344 -5.791 1.973 1.00 0.00 N ATOM 1092 CA ILE A 70 1.173 -4.971 2.335 1.00 0.00 C ATOM 1093 C ILE A 70 0.039 -5.088 1.301 1.00 0.00 C ATOM 1094 O ILE A 70 -1.118 -5.285 1.677 1.00 0.00 O ATOM 1095 CB ILE A 70 1.525 -3.500 2.693 1.00 0.00 C ATOM 1096 CG1 ILE A 70 2.670 -2.855 1.901 1.00 0.00 C ATOM 1097 CG2 ILE A 70 1.778 -3.408 4.203 1.00 0.00 C ATOM 1098 CD1 ILE A 70 2.921 -1.370 2.217 1.00 0.00 C ATOM 0 H ILE A 70 3.221 -5.271 1.945 1.00 0.00 H new ATOM 0 HA ILE A 70 0.790 -5.396 3.263 1.00 0.00 H new ATOM 0 HB ILE A 70 0.659 -2.911 2.392 1.00 0.00 H new ATOM 0 HG12 ILE A 70 3.586 -3.413 2.096 1.00 0.00 H new ATOM 0 HG13 ILE A 70 2.457 -2.954 0.837 1.00 0.00 H new ATOM 0 HG21 ILE A 70 2.026 -2.380 4.468 1.00 0.00 H new ATOM 0 HG22 ILE A 70 0.882 -3.715 4.742 1.00 0.00 H new ATOM 0 HG23 ILE A 70 2.606 -4.063 4.474 1.00 0.00 H new ATOM 0 HD11 ILE A 70 3.748 -1.003 1.609 1.00 0.00 H new ATOM 0 HD12 ILE A 70 2.023 -0.794 1.994 1.00 0.00 H new ATOM 0 HD13 ILE A 70 3.170 -1.260 3.272 1.00 0.00 H new ATOM 1110 N ILE A 71 0.362 -5.025 0.005 1.00 0.00 N ATOM 1111 CA ILE A 71 -0.612 -5.197 -1.086 1.00 0.00 C ATOM 1112 C ILE A 71 -1.036 -6.664 -1.235 1.00 0.00 C ATOM 1113 O ILE A 71 -2.226 -6.942 -1.398 1.00 0.00 O ATOM 1114 CB ILE A 71 -0.072 -4.587 -2.395 1.00 0.00 C ATOM 1115 CG1 ILE A 71 0.291 -3.097 -2.203 1.00 0.00 C ATOM 1116 CG2 ILE A 71 -1.081 -4.723 -3.547 1.00 0.00 C ATOM 1117 CD1 ILE A 71 -0.770 -2.249 -1.476 1.00 0.00 C ATOM 0 H ILE A 71 1.313 -4.852 -0.322 1.00 0.00 H new ATOM 0 HA ILE A 71 -1.520 -4.649 -0.833 1.00 0.00 H new ATOM 0 HB ILE A 71 0.827 -5.146 -2.656 1.00 0.00 H new ATOM 0 HG12 ILE A 71 1.225 -3.037 -1.645 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.476 -2.656 -3.183 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -0.663 -4.281 -4.451 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -1.292 -5.778 -3.723 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -2.004 -4.207 -3.285 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -0.419 -1.220 -1.392 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -1.702 -2.270 -2.041 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.941 -2.656 -0.479 1.00 0.00 H new ATOM 1129 N SER A 72 -0.087 -7.602 -1.141 1.00 0.00 N ATOM 1130 CA SER A 72 -0.333 -9.054 -1.186 1.00 0.00 C ATOM 1131 C SER A 72 -1.398 -9.452 -0.165 1.00 0.00 C ATOM 1132 O SER A 72 -2.389 -10.086 -0.526 1.00 0.00 O ATOM 1133 CB SER A 72 0.940 -9.866 -0.922 1.00 0.00 C ATOM 1134 OG SER A 72 1.982 -9.515 -1.806 1.00 0.00 O ATOM 0 H SER A 72 0.900 -7.370 -1.029 1.00 0.00 H new ATOM 0 HA SER A 72 -0.681 -9.280 -2.194 1.00 0.00 H new ATOM 0 HB2 SER A 72 1.266 -9.705 0.106 1.00 0.00 H new ATOM 0 HB3 SER A 72 0.720 -10.929 -1.024 1.00 0.00 H new ATOM 0 HG SER A 72 2.243 -8.583 -1.651 1.00 0.00 H new ATOM 1140 N HIS A 73 -1.213 -9.052 1.099 1.00 0.00 N ATOM 1141 CA HIS A 73 -2.165 -9.278 2.180 1.00 0.00 C ATOM 1142 C HIS A 73 -3.505 -8.628 1.823 1.00 0.00 C ATOM 1143 O HIS A 73 -4.492 -9.351 1.721 1.00 0.00 O ATOM 1144 CB HIS A 73 -1.617 -8.781 3.529 1.00 0.00 C ATOM 1145 CG HIS A 73 -2.561 -9.039 4.692 1.00 0.00 C ATOM 1146 ND1 HIS A 73 -2.376 -9.958 5.702 1.00 0.00 N ATOM 1147 CD2 HIS A 73 -3.796 -8.470 4.896 1.00 0.00 C ATOM 1148 CE1 HIS A 73 -3.479 -9.960 6.475 1.00 0.00 C ATOM 1149 NE2 HIS A 73 -4.381 -9.074 6.017 1.00 0.00 N ATOM 0 H HIS A 73 -0.377 -8.551 1.400 1.00 0.00 H new ATOM 0 HA HIS A 73 -2.324 -10.350 2.296 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -0.663 -9.270 3.728 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -1.419 -7.711 3.461 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -1.547 -10.536 5.840 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -4.240 -7.690 4.295 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -3.620 -10.587 7.343 1.00 0.00 H new ATOM 1157 N TRP A 74 -3.559 -7.301 1.623 1.00 0.00 N ATOM 1158 CA TRP A 74 -4.808 -6.585 1.330 1.00 0.00 C ATOM 1159 C TRP A 74 -5.660 -7.223 0.216 1.00 0.00 C ATOM 1160 O TRP A 74 -6.870 -7.392 0.390 1.00 0.00 O ATOM 1161 CB TRP A 74 -4.554 -5.092 1.065 1.00 0.00 C ATOM 1162 CG TRP A 74 -5.810 -4.269 1.062 1.00 0.00 C ATOM 1163 CD1 TRP A 74 -6.772 -4.351 2.009 1.00 0.00 C ATOM 1164 CD2 TRP A 74 -6.292 -3.276 0.099 1.00 0.00 C ATOM 1165 NE1 TRP A 74 -7.835 -3.539 1.678 1.00 0.00 N ATOM 1166 CE2 TRP A 74 -7.593 -2.856 0.512 1.00 0.00 C ATOM 1167 CE3 TRP A 74 -5.776 -2.680 -1.076 1.00 0.00 C ATOM 1168 CZ2 TRP A 74 -8.351 -1.924 -0.206 1.00 0.00 C ATOM 1169 CZ3 TRP A 74 -6.521 -1.715 -1.786 1.00 0.00 C ATOM 1170 CH2 TRP A 74 -7.810 -1.346 -1.357 1.00 0.00 C ATOM 0 H TRP A 74 -2.738 -6.696 1.660 1.00 0.00 H new ATOM 0 HA TRP A 74 -5.409 -6.676 2.235 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -3.876 -4.705 1.825 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -4.052 -4.981 0.104 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -6.715 -4.964 2.896 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -8.690 -3.456 2.228 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -4.799 -2.968 -1.434 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -9.343 -1.655 0.126 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -6.098 -1.255 -2.667 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -8.379 -0.618 -1.916 1.00 0.00 H new ATOM 1181 N LYS A 75 -5.052 -7.599 -0.921 1.00 0.00 N ATOM 1182 CA LYS A 75 -5.760 -8.252 -2.036 1.00 0.00 C ATOM 1183 C LYS A 75 -6.311 -9.637 -1.653 1.00 0.00 C ATOM 1184 O LYS A 75 -7.472 -9.934 -1.938 1.00 0.00 O ATOM 1185 CB LYS A 75 -4.869 -8.302 -3.291 1.00 0.00 C ATOM 1186 CG LYS A 75 -5.701 -8.722 -4.515 1.00 0.00 C ATOM 1187 CD LYS A 75 -4.939 -8.585 -5.839 1.00 0.00 C ATOM 1188 CE LYS A 75 -5.894 -8.917 -6.994 1.00 0.00 C ATOM 1189 NZ LYS A 75 -5.319 -8.587 -8.323 1.00 0.00 N ATOM 0 H LYS A 75 -4.056 -7.459 -1.094 1.00 0.00 H new ATOM 0 HA LYS A 75 -6.632 -7.643 -2.273 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -4.419 -7.325 -3.466 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -4.052 -9.007 -3.138 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -6.020 -9.757 -4.392 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -6.604 -8.114 -4.558 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -4.551 -7.572 -5.949 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -4.081 -9.258 -5.853 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -6.141 -9.978 -6.963 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -6.826 -8.368 -6.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -6.044 -8.718 -9.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -4.998 -7.598 -8.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -4.512 -9.214 -8.517 1.00 0.00 H new ATOM 1203 N ASN A 76 -5.492 -10.486 -1.026 1.00 0.00 N ATOM 1204 CA ASN A 76 -5.876 -11.840 -0.596 1.00 0.00 C ATOM 1205 C ASN A 76 -6.929 -11.858 0.533 1.00 0.00 C ATOM 1206 O ASN A 76 -7.815 -12.717 0.532 1.00 0.00 O ATOM 1207 CB ASN A 76 -4.625 -12.625 -0.165 1.00 0.00 C ATOM 1208 CG ASN A 76 -3.874 -13.215 -1.347 1.00 0.00 C ATOM 1209 OD1 ASN A 76 -4.156 -14.315 -1.799 1.00 0.00 O ATOM 1210 ND2 ASN A 76 -2.900 -12.519 -1.880 1.00 0.00 N ATOM 0 H ASN A 76 -4.526 -10.251 -0.797 1.00 0.00 H new ATOM 0 HA ASN A 76 -6.345 -12.317 -1.457 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -3.960 -11.965 0.392 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -4.918 -13.427 0.512 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -2.378 -12.895 -2.671 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -2.664 -11.601 -1.504 1.00 0.00 H new ATOM 1217 N CYS A 77 -6.801 -10.965 1.517 1.00 0.00 N ATOM 1218 CA CYS A 77 -7.636 -10.876 2.711 1.00 0.00 C ATOM 1219 C CYS A 77 -9.138 -10.699 2.410 1.00 0.00 C ATOM 1220 O CYS A 77 -9.566 -9.873 1.594 1.00 0.00 O ATOM 1221 CB CYS A 77 -7.079 -9.764 3.614 1.00 0.00 C ATOM 1222 SG CYS A 77 -7.754 -9.852 5.305 1.00 0.00 S ATOM 0 H CYS A 77 -6.074 -10.249 1.499 1.00 0.00 H new ATOM 0 HA CYS A 77 -7.587 -11.831 3.234 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -5.992 -9.840 3.653 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -7.315 -8.793 3.180 1.00 0.00 H new ATOM 0 HG CYS A 77 -7.254 -8.890 6.022 1.00 0.00 H new ATOM 1227 N THR A 78 -9.938 -11.506 3.109 1.00 0.00 N ATOM 1228 CA THR A 78 -11.409 -11.557 3.069 1.00 0.00 C ATOM 1229 C THR A 78 -12.023 -11.549 4.478 1.00 0.00 C ATOM 1230 O THR A 78 -13.250 -11.619 4.625 1.00 0.00 O ATOM 1231 CB THR A 78 -11.907 -12.769 2.257 1.00 0.00 C ATOM 1232 OG1 THR A 78 -11.228 -13.956 2.623 1.00 0.00 O ATOM 1233 CG2 THR A 78 -11.717 -12.563 0.753 1.00 0.00 C ATOM 0 H THR A 78 -9.555 -12.188 3.763 1.00 0.00 H new ATOM 0 HA THR A 78 -11.744 -10.652 2.563 1.00 0.00 H new ATOM 0 HB THR A 78 -12.969 -12.863 2.484 1.00 0.00 H new ATOM 0 HG1 THR A 78 -11.569 -14.705 2.091 1.00 0.00 H new ATOM 0 HG21 THR A 78 -12.080 -13.440 0.217 1.00 0.00 H new ATOM 0 HG22 THR A 78 -12.276 -11.684 0.433 1.00 0.00 H new ATOM 0 HG23 THR A 78 -10.659 -12.418 0.536 1.00 0.00 H new ATOM 1241 N ARG A 79 -11.198 -11.401 5.528 1.00 0.00 N ATOM 1242 CA ARG A 79 -11.616 -11.302 6.933 1.00 0.00 C ATOM 1243 C ARG A 79 -12.535 -10.087 7.095 1.00 0.00 C ATOM 1244 O ARG A 79 -12.149 -8.951 6.814 1.00 0.00 O ATOM 1245 CB ARG A 79 -10.367 -11.215 7.831 1.00 0.00 C ATOM 1246 CG ARG A 79 -10.719 -11.121 9.322 1.00 0.00 C ATOM 1247 CD ARG A 79 -9.479 -10.917 10.198 1.00 0.00 C ATOM 1248 NE ARG A 79 -9.873 -10.493 11.552 1.00 0.00 N ATOM 1249 CZ ARG A 79 -9.096 -10.031 12.511 1.00 0.00 C ATOM 1250 NH1 ARG A 79 -7.799 -9.971 12.380 1.00 0.00 N ATOM 1251 NH2 ARG A 79 -9.614 -9.620 13.631 1.00 0.00 N ATOM 0 H ARG A 79 -10.186 -11.345 5.416 1.00 0.00 H new ATOM 0 HA ARG A 79 -12.176 -12.187 7.236 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -9.742 -12.092 7.663 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -9.778 -10.344 7.545 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -11.412 -10.294 9.478 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -11.234 -12.031 9.630 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -8.907 -11.843 10.252 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -8.828 -10.166 9.750 1.00 0.00 H new ATOM 0 HE ARG A 79 -10.866 -10.566 11.774 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -7.359 -10.287 11.516 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -7.226 -9.608 13.142 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -10.624 -9.655 13.769 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -9.010 -9.263 14.371 1.00 0.00 H new ATOM 1265 N HIS A 80 -13.767 -10.331 7.546 1.00 0.00 N ATOM 1266 CA HIS A 80 -14.820 -9.313 7.715 1.00 0.00 C ATOM 1267 C HIS A 80 -14.542 -8.274 8.823 1.00 0.00 C ATOM 1268 O HIS A 80 -15.344 -7.360 9.009 1.00 0.00 O ATOM 1269 CB HIS A 80 -16.170 -10.023 7.933 1.00 0.00 C ATOM 1270 CG HIS A 80 -16.664 -10.896 6.794 1.00 0.00 C ATOM 1271 ND1 HIS A 80 -15.953 -11.345 5.688 1.00 0.00 N ATOM 1272 CD2 HIS A 80 -17.934 -11.398 6.701 1.00 0.00 C ATOM 1273 CE1 HIS A 80 -16.781 -12.107 4.947 1.00 0.00 C ATOM 1274 NE2 HIS A 80 -17.992 -12.152 5.542 1.00 0.00 N ATOM 0 H HIS A 80 -14.074 -11.266 7.813 1.00 0.00 H new ATOM 0 HA HIS A 80 -14.842 -8.724 6.798 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -16.091 -10.641 8.828 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -16.926 -9.265 8.135 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -14.978 -11.135 5.475 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -18.740 -11.236 7.401 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -16.518 -12.603 4.024 1.00 0.00 H new ATOM 1283 N ASP A 81 -13.438 -8.398 9.564 1.00 0.00 N ATOM 1284 CA ASP A 81 -13.037 -7.500 10.657 1.00 0.00 C ATOM 1285 C ASP A 81 -11.510 -7.263 10.773 1.00 0.00 C ATOM 1286 O ASP A 81 -11.037 -6.886 11.850 1.00 0.00 O ATOM 1287 CB ASP A 81 -13.628 -8.028 11.984 1.00 0.00 C ATOM 1288 CG ASP A 81 -12.862 -9.234 12.560 1.00 0.00 C ATOM 1289 OD1 ASP A 81 -12.685 -10.248 11.846 1.00 0.00 O ATOM 1290 OD2 ASP A 81 -12.402 -9.181 13.725 1.00 0.00 O ATOM 0 H ASP A 81 -12.771 -9.155 9.416 1.00 0.00 H new ATOM 0 HA ASP A 81 -13.444 -6.516 10.423 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -13.628 -7.223 12.719 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -14.668 -8.312 11.822 1.00 0.00 H new ATOM 1295 N CYS A 82 -10.725 -7.434 9.693 1.00 0.00 N ATOM 1296 CA CYS A 82 -9.276 -7.166 9.728 1.00 0.00 C ATOM 1297 C CYS A 82 -9.066 -5.662 10.052 1.00 0.00 C ATOM 1298 O CYS A 82 -9.787 -4.822 9.495 1.00 0.00 O ATOM 1299 CB CYS A 82 -8.640 -7.539 8.376 1.00 0.00 C ATOM 1300 SG CYS A 82 -6.904 -8.110 8.479 1.00 0.00 S ATOM 0 H CYS A 82 -11.069 -7.756 8.788 1.00 0.00 H new ATOM 0 HA CYS A 82 -8.794 -7.770 10.497 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -9.239 -8.323 7.912 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -8.684 -6.672 7.717 1.00 0.00 H new ATOM 0 HG CYS A 82 -6.168 -7.169 8.992 1.00 0.00 H new ATOM 1305 N PRO A 83 -8.126 -5.282 10.938 1.00 0.00 N ATOM 1306 CA PRO A 83 -7.924 -3.894 11.368 1.00 0.00 C ATOM 1307 C PRO A 83 -7.646 -2.866 10.259 1.00 0.00 C ATOM 1308 O PRO A 83 -7.863 -1.675 10.494 1.00 0.00 O ATOM 1309 CB PRO A 83 -6.793 -3.937 12.404 1.00 0.00 C ATOM 1310 CG PRO A 83 -6.070 -5.244 12.088 1.00 0.00 C ATOM 1311 CD PRO A 83 -7.213 -6.154 11.656 1.00 0.00 C ATOM 0 HA PRO A 83 -8.865 -3.526 11.777 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -6.129 -3.078 12.309 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -7.181 -3.929 13.423 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -5.330 -5.118 11.298 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -5.544 -5.638 12.958 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -6.856 -6.964 11.020 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -7.699 -6.615 12.516 1.00 0.00 H new ATOM 1319 N VAL A 84 -7.176 -3.283 9.076 1.00 0.00 N ATOM 1320 CA VAL A 84 -6.852 -2.374 7.957 1.00 0.00 C ATOM 1321 C VAL A 84 -7.729 -2.658 6.736 1.00 0.00 C ATOM 1322 O VAL A 84 -8.319 -1.742 6.163 1.00 0.00 O ATOM 1323 CB VAL A 84 -5.365 -2.419 7.548 1.00 0.00 C ATOM 1324 CG1 VAL A 84 -4.978 -1.035 7.011 1.00 0.00 C ATOM 1325 CG2 VAL A 84 -4.423 -2.804 8.691 1.00 0.00 C ATOM 0 H VAL A 84 -7.007 -4.266 8.862 1.00 0.00 H new ATOM 0 HA VAL A 84 -7.059 -1.370 8.327 1.00 0.00 H new ATOM 0 HB VAL A 84 -5.255 -3.196 6.791 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.929 -1.040 6.714 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -5.598 -0.793 6.148 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -5.131 -0.287 7.789 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.395 -2.815 8.328 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -4.515 -2.078 9.499 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -4.687 -3.794 9.062 1.00 0.00 H new ATOM 1335 N CYS A 85 -7.811 -3.922 6.323 1.00 0.00 N ATOM 1336 CA CYS A 85 -8.554 -4.399 5.169 1.00 0.00 C ATOM 1337 C CYS A 85 -10.042 -4.011 5.216 1.00 0.00 C ATOM 1338 O CYS A 85 -10.556 -3.483 4.228 1.00 0.00 O ATOM 1339 CB CYS A 85 -8.334 -5.917 5.044 1.00 0.00 C ATOM 1340 SG CYS A 85 -6.580 -6.365 5.314 1.00 0.00 S ATOM 0 H CYS A 85 -7.333 -4.677 6.814 1.00 0.00 H new ATOM 0 HA CYS A 85 -8.176 -3.909 4.272 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -8.959 -6.437 5.770 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -8.648 -6.251 4.055 1.00 0.00 H new ATOM 0 HG CYS A 85 -6.466 -7.018 6.432 1.00 0.00 H new ATOM 1345 N LEU A 86 -10.724 -4.248 6.347 1.00 0.00 N ATOM 1346 CA LEU A 86 -12.135 -3.894 6.548 1.00 0.00 C ATOM 1347 C LEU A 86 -12.417 -2.407 6.237 1.00 0.00 C ATOM 1348 O LEU A 86 -13.182 -2.169 5.301 1.00 0.00 O ATOM 1349 CB LEU A 86 -12.628 -4.371 7.932 1.00 0.00 C ATOM 1350 CG LEU A 86 -14.132 -4.213 8.243 1.00 0.00 C ATOM 1351 CD1 LEU A 86 -14.568 -2.785 8.583 1.00 0.00 C ATOM 1352 CD2 LEU A 86 -15.025 -4.757 7.127 1.00 0.00 C ATOM 0 H LEU A 86 -10.303 -4.698 7.160 1.00 0.00 H new ATOM 0 HA LEU A 86 -12.737 -4.434 5.817 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -12.371 -5.425 8.036 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -12.068 -3.830 8.694 1.00 0.00 H new ATOM 0 HG LEU A 86 -14.266 -4.815 9.142 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -15.639 -2.770 8.787 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -14.026 -2.439 9.463 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -14.350 -2.128 7.741 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -16.072 -4.620 7.399 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -14.817 -4.221 6.201 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -14.823 -5.819 6.985 1.00 0.00 H new ATOM 1364 N PRO A 87 -11.845 -1.405 6.946 1.00 0.00 N ATOM 1365 CA PRO A 87 -12.116 0.006 6.657 1.00 0.00 C ATOM 1366 C PRO A 87 -11.766 0.410 5.214 1.00 0.00 C ATOM 1367 O PRO A 87 -12.535 1.131 4.578 1.00 0.00 O ATOM 1368 CB PRO A 87 -11.371 0.819 7.719 1.00 0.00 C ATOM 1369 CG PRO A 87 -10.287 -0.126 8.234 1.00 0.00 C ATOM 1370 CD PRO A 87 -10.932 -1.505 8.081 1.00 0.00 C ATOM 0 HA PRO A 87 -13.186 0.207 6.713 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -10.939 1.725 7.294 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -12.040 1.131 8.521 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -9.369 -0.043 7.652 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -10.027 0.085 9.271 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -10.176 -2.271 7.906 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -11.468 -1.787 8.988 1.00 0.00 H new ATOM 1378 N LEU A 88 -10.638 -0.061 4.667 1.00 0.00 N ATOM 1379 CA LEU A 88 -10.250 0.194 3.270 1.00 0.00 C ATOM 1380 C LEU A 88 -11.304 -0.326 2.276 1.00 0.00 C ATOM 1381 O LEU A 88 -11.657 0.386 1.332 1.00 0.00 O ATOM 1382 CB LEU A 88 -8.865 -0.400 2.995 1.00 0.00 C ATOM 1383 CG LEU A 88 -7.707 0.357 3.664 1.00 0.00 C ATOM 1384 CD1 LEU A 88 -6.421 -0.416 3.400 1.00 0.00 C ATOM 1385 CD2 LEU A 88 -7.541 1.775 3.108 1.00 0.00 C ATOM 0 H LEU A 88 -9.966 -0.631 5.180 1.00 0.00 H new ATOM 0 HA LEU A 88 -10.197 1.273 3.122 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -8.852 -1.435 3.337 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -8.698 -0.418 1.918 1.00 0.00 H new ATOM 0 HG LEU A 88 -7.925 0.439 4.729 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -5.583 0.102 3.866 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -6.506 -1.418 3.820 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -6.253 -0.486 2.325 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.710 2.269 3.612 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -7.338 1.725 2.038 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -8.457 2.342 3.277 1.00 0.00 H new ATOM 1397 N LYS A 89 -11.825 -1.542 2.489 1.00 0.00 N ATOM 1398 CA LYS A 89 -12.897 -2.150 1.685 1.00 0.00 C ATOM 1399 C LYS A 89 -14.195 -1.340 1.811 1.00 0.00 C ATOM 1400 O LYS A 89 -14.743 -0.888 0.805 1.00 0.00 O ATOM 1401 CB LYS A 89 -13.088 -3.617 2.107 1.00 0.00 C ATOM 1402 CG LYS A 89 -14.100 -4.355 1.216 1.00 0.00 C ATOM 1403 CD LYS A 89 -14.510 -5.710 1.810 1.00 0.00 C ATOM 1404 CE LYS A 89 -13.351 -6.697 2.031 1.00 0.00 C ATOM 1405 NZ LYS A 89 -12.692 -7.105 0.760 1.00 0.00 N ATOM 0 H LYS A 89 -11.505 -2.147 3.245 1.00 0.00 H new ATOM 0 HA LYS A 89 -12.616 -2.135 0.632 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -12.128 -4.132 2.066 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -13.425 -3.653 3.143 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -14.986 -3.734 1.084 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -13.668 -4.509 0.227 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -15.007 -5.537 2.764 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -15.242 -6.174 1.149 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -12.611 -6.241 2.689 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -13.727 -7.584 2.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -11.919 -7.770 0.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -13.388 -7.566 0.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -12.307 -6.265 0.283 1.00 0.00 H new ATOM 1731 N GLY B 114 8.637 7.933 12.428 1.00 0.00 N ATOM 1732 CA GLY B 114 8.869 8.553 11.116 1.00 0.00 C ATOM 1733 C GLY B 114 8.508 7.603 9.986 1.00 0.00 C ATOM 1734 O GLY B 114 7.335 7.298 9.763 1.00 0.00 O ATOM 0 HA2 GLY B 114 8.276 9.464 11.032 1.00 0.00 H new ATOM 0 HA3 GLY B 114 9.916 8.844 11.029 1.00 0.00 H new ATOM 1738 N LEU B 115 9.537 7.131 9.287 1.00 0.00 N ATOM 1739 CA LEU B 115 9.444 6.213 8.160 1.00 0.00 C ATOM 1740 C LEU B 115 10.401 5.036 8.430 1.00 0.00 C ATOM 1741 O LEU B 115 11.617 5.247 8.505 1.00 0.00 O ATOM 1742 CB LEU B 115 9.745 7.017 6.882 1.00 0.00 C ATOM 1743 CG LEU B 115 8.887 6.686 5.657 1.00 0.00 C ATOM 1744 CD1 LEU B 115 9.235 5.345 5.022 1.00 0.00 C ATOM 1745 CD2 LEU B 115 7.381 6.727 5.914 1.00 0.00 C ATOM 0 H LEU B 115 10.500 7.391 9.502 1.00 0.00 H new ATOM 0 HA LEU B 115 8.454 5.776 8.026 1.00 0.00 H new ATOM 0 HB2 LEU B 115 9.625 8.077 7.108 1.00 0.00 H new ATOM 0 HB3 LEU B 115 10.792 6.863 6.619 1.00 0.00 H new ATOM 0 HG LEU B 115 9.135 7.489 4.962 1.00 0.00 H new ATOM 0 HD11 LEU B 115 8.590 5.172 4.160 1.00 0.00 H new ATOM 0 HD12 LEU B 115 10.276 5.354 4.700 1.00 0.00 H new ATOM 0 HD13 LEU B 115 9.087 4.548 5.751 1.00 0.00 H new ATOM 0 HD21 LEU B 115 6.848 6.481 4.995 1.00 0.00 H new ATOM 0 HD22 LEU B 115 7.124 6.003 6.688 1.00 0.00 H new ATOM 0 HD23 LEU B 115 7.095 7.726 6.242 1.00 0.00 H new ATOM 1757 N PRO B 116 9.880 3.813 8.646 1.00 0.00 N ATOM 1758 CA PRO B 116 10.687 2.663 9.041 1.00 0.00 C ATOM 1759 C PRO B 116 11.477 2.031 7.892 1.00 0.00 C ATOM 1760 O PRO B 116 11.280 2.341 6.715 1.00 0.00 O ATOM 1761 CB PRO B 116 9.665 1.671 9.608 1.00 0.00 C ATOM 1762 CG PRO B 116 8.436 1.920 8.739 1.00 0.00 C ATOM 1763 CD PRO B 116 8.470 3.440 8.597 1.00 0.00 C ATOM 0 HA PRO B 116 11.457 2.960 9.753 1.00 0.00 H new ATOM 0 HB2 PRO B 116 10.014 0.641 9.530 1.00 0.00 H new ATOM 0 HB3 PRO B 116 9.460 1.859 10.662 1.00 0.00 H new ATOM 0 HG2 PRO B 116 8.506 1.416 7.775 1.00 0.00 H new ATOM 0 HG3 PRO B 116 7.519 1.572 9.215 1.00 0.00 H new ATOM 0 HD2 PRO B 116 8.015 3.755 7.658 1.00 0.00 H new ATOM 0 HD3 PRO B 116 7.910 3.920 9.400 1.00 0.00 H new ATOM 1771 N GLN B 117 12.324 1.069 8.258 1.00 0.00 N ATOM 1772 CA GLN B 117 13.086 0.203 7.358 1.00 0.00 C ATOM 1773 C GLN B 117 12.673 -1.246 7.647 1.00 0.00 C ATOM 1774 O GLN B 117 13.443 -2.060 8.165 1.00 0.00 O ATOM 1775 CB GLN B 117 14.598 0.455 7.483 1.00 0.00 C ATOM 1776 CG GLN B 117 15.012 1.676 6.657 1.00 0.00 C ATOM 1777 CD GLN B 117 16.494 2.001 6.824 1.00 0.00 C ATOM 1778 OE1 GLN B 117 17.332 1.674 5.992 1.00 0.00 O ATOM 1779 NE2 GLN B 117 16.880 2.654 7.902 1.00 0.00 N ATOM 0 H GLN B 117 12.507 0.862 9.240 1.00 0.00 H new ATOM 0 HA GLN B 117 12.858 0.425 6.315 1.00 0.00 H new ATOM 0 HB2 GLN B 117 14.861 0.611 8.529 1.00 0.00 H new ATOM 0 HB3 GLN B 117 15.148 -0.423 7.144 1.00 0.00 H new ATOM 0 HG2 GLN B 117 14.797 1.492 5.604 1.00 0.00 H new ATOM 0 HG3 GLN B 117 14.415 2.537 6.958 1.00 0.00 H new ATOM 0 HE21 GLN B 117 16.193 2.932 8.603 1.00 0.00 H new ATOM 0 HE22 GLN B 117 17.865 2.881 8.035 1.00 0.00 H new ATOM 1788 N LEU B 118 11.424 -1.551 7.282 1.00 0.00 N ATOM 1789 CA LEU B 118 10.854 -2.898 7.344 1.00 0.00 C ATOM 1790 C LEU B 118 11.547 -3.768 6.274 1.00 0.00 C ATOM 1791 O LEU B 118 12.315 -3.276 5.440 1.00 0.00 O ATOM 1792 CB LEU B 118 9.330 -2.827 7.100 1.00 0.00 C ATOM 1793 CG LEU B 118 8.511 -2.117 8.194 1.00 0.00 C ATOM 1794 CD1 LEU B 118 7.104 -1.821 7.675 1.00 0.00 C ATOM 1795 CD2 LEU B 118 8.374 -2.953 9.467 1.00 0.00 C ATOM 0 H LEU B 118 10.769 -0.854 6.928 1.00 0.00 H new ATOM 0 HA LEU B 118 11.017 -3.341 8.327 1.00 0.00 H new ATOM 0 HB2 LEU B 118 9.156 -2.317 6.153 1.00 0.00 H new ATOM 0 HB3 LEU B 118 8.951 -3.843 6.989 1.00 0.00 H new ATOM 0 HG LEU B 118 9.049 -1.201 8.439 1.00 0.00 H new ATOM 0 HD11 LEU B 118 6.528 -1.319 8.452 1.00 0.00 H new ATOM 0 HD12 LEU B 118 7.168 -1.178 6.797 1.00 0.00 H new ATOM 0 HD13 LEU B 118 6.612 -2.755 7.405 1.00 0.00 H new ATOM 0 HD21 LEU B 118 7.787 -2.402 10.202 1.00 0.00 H new ATOM 0 HD22 LEU B 118 7.873 -3.893 9.233 1.00 0.00 H new ATOM 0 HD23 LEU B 118 9.364 -3.161 9.874 1.00 0.00 H new ATOM 1807 N THR B 119 11.265 -5.065 6.270 1.00 0.00 N ATOM 1808 CA THR B 119 11.798 -6.011 5.281 1.00 0.00 C ATOM 1809 C THR B 119 10.713 -6.990 4.845 1.00 0.00 C ATOM 1810 O THR B 119 9.656 -7.088 5.480 1.00 0.00 O ATOM 1811 CB THR B 119 13.022 -6.777 5.822 1.00 0.00 C ATOM 1812 OG1 THR B 119 12.676 -7.579 6.933 1.00 0.00 O ATOM 1813 CG2 THR B 119 14.183 -5.854 6.211 1.00 0.00 C ATOM 0 H THR B 119 10.653 -5.501 6.960 1.00 0.00 H new ATOM 0 HA THR B 119 12.126 -5.432 4.417 1.00 0.00 H new ATOM 0 HB THR B 119 13.358 -7.410 5.001 1.00 0.00 H new ATOM 0 HG1 THR B 119 12.570 -7.012 7.725 1.00 0.00 H new ATOM 0 HG21 THR B 119 15.014 -6.452 6.584 1.00 0.00 H new ATOM 0 HG22 THR B 119 14.507 -5.288 5.337 1.00 0.00 H new ATOM 0 HG23 THR B 119 13.855 -5.164 6.988 1.00 0.00 H new ATOM 1821 N SER B 120 10.982 -7.755 3.784 1.00 0.00 N ATOM 1822 CA SER B 120 10.105 -8.833 3.311 1.00 0.00 C ATOM 1823 C SER B 120 9.816 -9.796 4.465 1.00 0.00 C ATOM 1824 O SER B 120 8.656 -10.017 4.809 1.00 0.00 O ATOM 1825 CB SER B 120 10.721 -9.558 2.108 1.00 0.00 C ATOM 1826 OG SER B 120 12.109 -9.787 2.321 1.00 0.00 O ATOM 0 H SER B 120 11.825 -7.643 3.221 1.00 0.00 H new ATOM 0 HA SER B 120 9.162 -8.405 2.971 1.00 0.00 H new ATOM 0 HB2 SER B 120 10.210 -10.507 1.948 1.00 0.00 H new ATOM 0 HB3 SER B 120 10.579 -8.963 1.206 1.00 0.00 H new ATOM 0 HG SER B 120 12.487 -10.252 1.545 1.00 0.00 H new ATOM 1832 N TYR B 121 10.876 -10.295 5.115 1.00 0.00 N ATOM 1833 CA TYR B 121 10.817 -11.157 6.296 1.00 0.00 C ATOM 1834 C TYR B 121 9.932 -10.559 7.403 1.00 0.00 C ATOM 1835 O TYR B 121 8.977 -11.208 7.830 1.00 0.00 O ATOM 1836 CB TYR B 121 12.234 -11.446 6.809 1.00 0.00 C ATOM 1837 CG TYR B 121 12.260 -12.400 7.992 1.00 0.00 C ATOM 1838 CD1 TYR B 121 12.316 -13.790 7.772 1.00 0.00 C ATOM 1839 CD2 TYR B 121 12.186 -11.900 9.310 1.00 0.00 C ATOM 1840 CE1 TYR B 121 12.299 -14.679 8.865 1.00 0.00 C ATOM 1841 CE2 TYR B 121 12.155 -12.786 10.404 1.00 0.00 C ATOM 1842 CZ TYR B 121 12.217 -14.181 10.183 1.00 0.00 C ATOM 1843 OH TYR B 121 12.189 -15.051 11.231 1.00 0.00 O ATOM 0 H TYR B 121 11.832 -10.100 4.819 1.00 0.00 H new ATOM 0 HA TYR B 121 10.354 -12.099 6.002 1.00 0.00 H new ATOM 0 HB2 TYR B 121 12.828 -11.867 5.998 1.00 0.00 H new ATOM 0 HB3 TYR B 121 12.708 -10.507 7.097 1.00 0.00 H new ATOM 0 HD1 TYR B 121 12.372 -14.175 6.764 1.00 0.00 H new ATOM 0 HD2 TYR B 121 12.153 -10.834 9.480 1.00 0.00 H new ATOM 0 HE1 TYR B 121 12.349 -15.744 8.694 1.00 0.00 H new ATOM 0 HE2 TYR B 121 12.084 -12.400 11.410 1.00 0.00 H new ATOM 0 HH TYR B 121 12.132 -14.549 12.071 1.00 0.00 H new ATOM 1853 N ASP B 122 10.219 -9.331 7.861 1.00 0.00 N ATOM 1854 CA ASP B 122 9.428 -8.645 8.895 1.00 0.00 C ATOM 1855 C ASP B 122 7.934 -8.628 8.553 1.00 0.00 C ATOM 1856 O ASP B 122 7.111 -9.046 9.369 1.00 0.00 O ATOM 1857 CB ASP B 122 9.914 -7.205 9.128 1.00 0.00 C ATOM 1858 CG ASP B 122 11.112 -7.128 10.081 1.00 0.00 C ATOM 1859 OD1 ASP B 122 10.960 -7.532 11.260 1.00 0.00 O ATOM 1860 OD2 ASP B 122 12.182 -6.622 9.669 1.00 0.00 O ATOM 0 H ASP B 122 11.010 -8.783 7.523 1.00 0.00 H new ATOM 0 HA ASP B 122 9.572 -9.216 9.813 1.00 0.00 H new ATOM 0 HB2 ASP B 122 10.188 -6.760 8.171 1.00 0.00 H new ATOM 0 HB3 ASP B 122 9.095 -6.611 9.533 1.00 0.00 H new ATOM 1865 N CYS B 123 7.577 -8.158 7.357 1.00 0.00 N ATOM 1866 CA CYS B 123 6.193 -8.079 6.897 1.00 0.00 C ATOM 1867 C CYS B 123 5.525 -9.466 6.817 1.00 0.00 C ATOM 1868 O CYS B 123 4.430 -9.643 7.346 1.00 0.00 O ATOM 1869 CB CYS B 123 6.126 -7.323 5.567 1.00 0.00 C ATOM 1870 SG CYS B 123 6.770 -5.634 5.742 1.00 0.00 S ATOM 0 H CYS B 123 8.252 -7.817 6.672 1.00 0.00 H new ATOM 0 HA CYS B 123 5.620 -7.518 7.635 1.00 0.00 H new ATOM 0 HB2 CYS B 123 6.701 -7.858 4.811 1.00 0.00 H new ATOM 0 HB3 CYS B 123 5.094 -7.288 5.217 1.00 0.00 H new ATOM 0 HG CYS B 123 8.069 -5.658 5.700 1.00 0.00 H new ATOM 1876 N GLU B 124 6.172 -10.457 6.194 1.00 0.00 N ATOM 1877 CA GLU B 124 5.685 -11.844 6.082 1.00 0.00 C ATOM 1878 C GLU B 124 5.390 -12.476 7.455 1.00 0.00 C ATOM 1879 O GLU B 124 4.437 -13.246 7.590 1.00 0.00 O ATOM 1880 CB GLU B 124 6.700 -12.717 5.315 1.00 0.00 C ATOM 1881 CG GLU B 124 6.690 -12.461 3.802 1.00 0.00 C ATOM 1882 CD GLU B 124 7.740 -13.322 3.076 1.00 0.00 C ATOM 1883 OE1 GLU B 124 8.950 -12.988 3.093 1.00 0.00 O ATOM 1884 OE2 GLU B 124 7.371 -14.355 2.470 1.00 0.00 O ATOM 0 H GLU B 124 7.074 -10.317 5.740 1.00 0.00 H new ATOM 0 HA GLU B 124 4.747 -11.802 5.528 1.00 0.00 H new ATOM 0 HB2 GLU B 124 7.701 -12.527 5.703 1.00 0.00 H new ATOM 0 HB3 GLU B 124 6.480 -13.768 5.501 1.00 0.00 H new ATOM 0 HG2 GLU B 124 5.700 -12.679 3.402 1.00 0.00 H new ATOM 0 HG3 GLU B 124 6.887 -11.406 3.609 1.00 0.00 H new ATOM 1891 N VAL B 125 6.210 -12.171 8.463 1.00 0.00 N ATOM 1892 CA VAL B 125 6.114 -12.645 9.853 1.00 0.00 C ATOM 1893 C VAL B 125 5.022 -11.917 10.646 1.00 0.00 C ATOM 1894 O VAL B 125 4.184 -12.557 11.283 1.00 0.00 O ATOM 1895 CB VAL B 125 7.497 -12.487 10.531 1.00 0.00 C ATOM 1896 CG1 VAL B 125 7.486 -12.542 12.064 1.00 0.00 C ATOM 1897 CG2 VAL B 125 8.440 -13.584 10.023 1.00 0.00 C ATOM 0 H VAL B 125 7.008 -11.550 8.327 1.00 0.00 H new ATOM 0 HA VAL B 125 5.826 -13.696 9.841 1.00 0.00 H new ATOM 0 HB VAL B 125 7.832 -11.485 10.261 1.00 0.00 H new ATOM 0 HG11 VAL B 125 8.502 -12.422 12.440 1.00 0.00 H new ATOM 0 HG12 VAL B 125 6.858 -11.740 12.452 1.00 0.00 H new ATOM 0 HG13 VAL B 125 7.090 -13.503 12.391 1.00 0.00 H new ATOM 0 HG21 VAL B 125 9.415 -13.475 10.499 1.00 0.00 H new ATOM 0 HG22 VAL B 125 8.025 -14.562 10.266 1.00 0.00 H new ATOM 0 HG23 VAL B 125 8.552 -13.496 8.942 1.00 0.00 H new ATOM 1907 N ASN B 126 5.049 -10.582 10.658 1.00 0.00 N ATOM 1908 CA ASN B 126 4.150 -9.726 11.444 1.00 0.00 C ATOM 1909 C ASN B 126 2.728 -9.611 10.870 1.00 0.00 C ATOM 1910 O ASN B 126 1.772 -9.495 11.642 1.00 0.00 O ATOM 1911 CB ASN B 126 4.807 -8.351 11.646 1.00 0.00 C ATOM 1912 CG ASN B 126 5.974 -8.410 12.615 1.00 0.00 C ATOM 1913 OD1 ASN B 126 5.855 -8.092 13.785 1.00 0.00 O ATOM 1914 ND2 ASN B 126 7.134 -8.845 12.185 1.00 0.00 N ATOM 0 H ASN B 126 5.718 -10.048 10.104 1.00 0.00 H new ATOM 0 HA ASN B 126 4.007 -10.208 12.411 1.00 0.00 H new ATOM 0 HB2 ASN B 126 5.154 -7.971 10.685 1.00 0.00 H new ATOM 0 HB3 ASN B 126 4.063 -7.646 12.018 1.00 0.00 H new ATOM 0 HD21 ASN B 126 7.923 -8.914 12.828 1.00 0.00 H new ATOM 0 HD22 ASN B 126 7.247 -9.115 11.208 1.00 0.00 H new ATOM 1921 N ALA B 127 2.575 -9.657 9.546 1.00 0.00 N ATOM 1922 CA ALA B 127 1.292 -9.616 8.843 1.00 0.00 C ATOM 1923 C ALA B 127 1.254 -10.664 7.704 1.00 0.00 C ATOM 1924 O ALA B 127 1.306 -10.302 6.521 1.00 0.00 O ATOM 1925 CB ALA B 127 1.043 -8.178 8.364 1.00 0.00 C ATOM 0 H ALA B 127 3.370 -9.726 8.911 1.00 0.00 H new ATOM 0 HA ALA B 127 0.477 -9.889 9.513 1.00 0.00 H new ATOM 0 HB1 ALA B 127 0.090 -8.130 7.837 1.00 0.00 H new ATOM 0 HB2 ALA B 127 1.017 -7.508 9.223 1.00 0.00 H new ATOM 0 HB3 ALA B 127 1.845 -7.875 7.691 1.00 0.00 H new ATOM 1931 N PRO B 128 1.148 -11.971 8.034 1.00 0.00 N ATOM 1932 CA PRO B 128 1.066 -13.046 7.044 1.00 0.00 C ATOM 1933 C PRO B 128 -0.117 -12.855 6.092 1.00 0.00 C ATOM 1934 O PRO B 128 -1.195 -12.417 6.499 1.00 0.00 O ATOM 1935 CB PRO B 128 0.898 -14.348 7.840 1.00 0.00 C ATOM 1936 CG PRO B 128 1.406 -14.007 9.239 1.00 0.00 C ATOM 1937 CD PRO B 128 1.065 -12.527 9.379 1.00 0.00 C ATOM 0 HA PRO B 128 1.962 -13.058 6.423 1.00 0.00 H new ATOM 0 HB2 PRO B 128 -0.144 -14.668 7.863 1.00 0.00 H new ATOM 0 HB3 PRO B 128 1.472 -15.162 7.396 1.00 0.00 H new ATOM 0 HG2 PRO B 128 0.915 -14.608 10.004 1.00 0.00 H new ATOM 0 HG3 PRO B 128 2.477 -14.185 9.333 1.00 0.00 H new ATOM 0 HD2 PRO B 128 0.067 -12.394 9.796 1.00 0.00 H new ATOM 0 HD3 PRO B 128 1.761 -12.027 10.052 1.00 0.00 H new ATOM 1945 N ILE B 129 0.073 -13.205 4.821 1.00 0.00 N ATOM 1946 CA ILE B 129 -0.970 -13.153 3.785 1.00 0.00 C ATOM 1947 C ILE B 129 -2.071 -14.176 4.146 1.00 0.00 C ATOM 1948 O ILE B 129 -1.777 -15.228 4.719 1.00 0.00 O ATOM 1949 CB ILE B 129 -0.315 -13.402 2.404 1.00 0.00 C ATOM 1950 CG1 ILE B 129 0.677 -12.262 2.059 1.00 0.00 C ATOM 1951 CG2 ILE B 129 -1.355 -13.500 1.276 1.00 0.00 C ATOM 1952 CD1 ILE B 129 1.787 -12.694 1.094 1.00 0.00 C ATOM 0 H ILE B 129 0.971 -13.539 4.471 1.00 0.00 H new ATOM 0 HA ILE B 129 -1.448 -12.175 3.732 1.00 0.00 H new ATOM 0 HB ILE B 129 0.210 -14.354 2.478 1.00 0.00 H new ATOM 0 HG12 ILE B 129 0.126 -11.431 1.619 1.00 0.00 H new ATOM 0 HG13 ILE B 129 1.129 -11.892 2.979 1.00 0.00 H new ATOM 0 HG21 ILE B 129 -0.847 -13.675 0.327 1.00 0.00 H new ATOM 0 HG22 ILE B 129 -2.037 -14.326 1.480 1.00 0.00 H new ATOM 0 HG23 ILE B 129 -1.919 -12.569 1.219 1.00 0.00 H new ATOM 0 HD11 ILE B 129 2.446 -11.849 0.895 1.00 0.00 H new ATOM 0 HD12 ILE B 129 2.362 -13.505 1.541 1.00 0.00 H new ATOM 0 HD13 ILE B 129 1.343 -13.036 0.159 1.00 0.00 H new ATOM 1964 N GLN B 130 -3.342 -13.870 3.849 1.00 0.00 N ATOM 1965 CA GLN B 130 -4.491 -14.743 4.158 1.00 0.00 C ATOM 1966 C GLN B 130 -4.335 -16.153 3.556 1.00 0.00 C ATOM 1967 O GLN B 130 -4.532 -17.152 4.254 1.00 0.00 O ATOM 1968 CB GLN B 130 -5.798 -14.055 3.726 1.00 0.00 C ATOM 1969 CG GLN B 130 -7.077 -14.891 3.927 1.00 0.00 C ATOM 1970 CD GLN B 130 -7.377 -15.234 5.389 1.00 0.00 C ATOM 1971 OE1 GLN B 130 -8.178 -14.593 6.057 1.00 0.00 O ATOM 1972 NE2 GLN B 130 -6.767 -16.263 5.941 1.00 0.00 N ATOM 0 H GLN B 130 -3.607 -13.002 3.383 1.00 0.00 H new ATOM 0 HA GLN B 130 -4.528 -14.894 5.237 1.00 0.00 H new ATOM 0 HB2 GLN B 130 -5.901 -13.124 4.283 1.00 0.00 H new ATOM 0 HB3 GLN B 130 -5.719 -13.789 2.672 1.00 0.00 H new ATOM 0 HG2 GLN B 130 -7.924 -14.345 3.512 1.00 0.00 H new ATOM 0 HG3 GLN B 130 -6.986 -15.817 3.359 1.00 0.00 H new ATOM 0 HE21 GLN B 130 -6.096 -16.809 5.400 1.00 0.00 H new ATOM 0 HE22 GLN B 130 -6.965 -16.514 6.910 1.00 0.00 H new ATOM 2037 N LEU B 135 4.245 -12.976 -3.249 1.00 0.00 N ATOM 2038 CA LEU B 135 4.464 -11.540 -3.370 1.00 0.00 C ATOM 2039 C LEU B 135 3.874 -10.955 -4.658 1.00 0.00 C ATOM 2040 O LEU B 135 4.437 -11.079 -5.750 1.00 0.00 O ATOM 2041 CB LEU B 135 5.952 -11.225 -3.188 1.00 0.00 C ATOM 2042 CG LEU B 135 6.542 -11.708 -1.850 1.00 0.00 C ATOM 2043 CD1 LEU B 135 7.920 -11.068 -1.672 1.00 0.00 C ATOM 2044 CD2 LEU B 135 5.688 -11.346 -0.631 1.00 0.00 C ATOM 0 HA LEU B 135 3.917 -11.041 -2.570 1.00 0.00 H new ATOM 0 HB2 LEU B 135 6.511 -11.682 -4.004 1.00 0.00 H new ATOM 0 HB3 LEU B 135 6.096 -10.147 -3.267 1.00 0.00 H new ATOM 0 HG LEU B 135 6.587 -12.796 -1.899 1.00 0.00 H new ATOM 0 HD11 LEU B 135 8.355 -11.398 -0.729 1.00 0.00 H new ATOM 0 HD12 LEU B 135 8.569 -11.367 -2.495 1.00 0.00 H new ATOM 0 HD13 LEU B 135 7.819 -9.983 -1.665 1.00 0.00 H new ATOM 0 HD21 LEU B 135 6.168 -11.719 0.273 1.00 0.00 H new ATOM 0 HD22 LEU B 135 5.586 -10.263 -0.567 1.00 0.00 H new ATOM 0 HD23 LEU B 135 4.701 -11.798 -0.731 1.00 0.00 H new ATOM 2056 N LEU B 136 2.744 -10.273 -4.488 1.00 0.00 N ATOM 2057 CA LEU B 136 1.995 -9.519 -5.486 1.00 0.00 C ATOM 2058 C LEU B 136 2.901 -8.378 -5.991 1.00 0.00 C ATOM 2059 O LEU B 136 3.320 -7.526 -5.204 1.00 0.00 O ATOM 2060 CB LEU B 136 0.721 -9.017 -4.767 1.00 0.00 C ATOM 2061 CG LEU B 136 -0.403 -8.374 -5.591 1.00 0.00 C ATOM 2062 CD1 LEU B 136 0.087 -7.244 -6.484 1.00 0.00 C ATOM 2063 CD2 LEU B 136 -1.164 -9.382 -6.445 1.00 0.00 C ATOM 0 H LEU B 136 2.293 -10.231 -3.574 1.00 0.00 H new ATOM 0 HA LEU B 136 1.700 -10.101 -6.359 1.00 0.00 H new ATOM 0 HB2 LEU B 136 0.292 -9.864 -4.232 1.00 0.00 H new ATOM 0 HB3 LEU B 136 1.033 -8.291 -4.016 1.00 0.00 H new ATOM 0 HG LEU B 136 -1.082 -7.962 -4.845 1.00 0.00 H new ATOM 0 HD11 LEU B 136 -0.753 -6.830 -7.041 1.00 0.00 H new ATOM 0 HD12 LEU B 136 0.535 -6.463 -5.870 1.00 0.00 H new ATOM 0 HD13 LEU B 136 0.831 -7.628 -7.182 1.00 0.00 H new ATOM 0 HD21 LEU B 136 -1.946 -8.868 -7.004 1.00 0.00 H new ATOM 0 HD22 LEU B 136 -0.476 -9.862 -7.141 1.00 0.00 H new ATOM 0 HD23 LEU B 136 -1.615 -10.137 -5.801 1.00 0.00 H new ATOM 2075 N GLN B 137 3.230 -8.370 -7.287 1.00 0.00 N ATOM 2076 CA GLN B 137 4.102 -7.364 -7.910 1.00 0.00 C ATOM 2077 C GLN B 137 3.779 -7.118 -9.398 1.00 0.00 C ATOM 2078 O GLN B 137 3.035 -7.878 -10.020 1.00 0.00 O ATOM 2079 CB GLN B 137 5.572 -7.731 -7.666 1.00 0.00 C ATOM 2080 CG GLN B 137 6.024 -9.035 -8.334 1.00 0.00 C ATOM 2081 CD GLN B 137 7.263 -9.563 -7.626 1.00 0.00 C ATOM 2082 OE1 GLN B 137 8.368 -9.055 -7.773 1.00 0.00 O ATOM 2083 NE2 GLN B 137 7.101 -10.515 -6.736 1.00 0.00 N ATOM 0 H GLN B 137 2.893 -9.073 -7.945 1.00 0.00 H new ATOM 0 HA GLN B 137 3.907 -6.405 -7.431 1.00 0.00 H new ATOM 0 HB2 GLN B 137 6.201 -6.917 -8.026 1.00 0.00 H new ATOM 0 HB3 GLN B 137 5.739 -7.811 -6.592 1.00 0.00 H new ATOM 0 HG2 GLN B 137 5.224 -9.775 -8.291 1.00 0.00 H new ATOM 0 HG3 GLN B 137 6.241 -8.860 -9.388 1.00 0.00 H new ATOM 0 HE21 GLN B 137 6.184 -10.943 -6.608 1.00 0.00 H new ATOM 0 HE22 GLN B 137 7.892 -10.827 -6.173 1.00 0.00 H new ATOM 2092 N GLY B 138 4.329 -6.041 -9.964 1.00 0.00 N ATOM 2093 CA GLY B 138 4.107 -5.609 -11.351 1.00 0.00 C ATOM 2094 C GLY B 138 2.761 -4.907 -11.549 1.00 0.00 C ATOM 2095 O GLY B 138 2.289 -4.233 -10.637 1.00 0.00 O ATOM 0 H GLY B 138 4.962 -5.424 -9.455 1.00 0.00 H new ATOM 0 HA2 GLY B 138 4.910 -4.935 -11.649 1.00 0.00 H new ATOM 0 HA3 GLY B 138 4.159 -6.476 -12.009 1.00 0.00 H new ATOM 2099 N GLU B 139 2.137 -5.022 -12.726 1.00 0.00 N ATOM 2100 CA GLU B 139 0.855 -4.347 -13.026 1.00 0.00 C ATOM 2101 C GLU B 139 -0.250 -4.671 -12.003 1.00 0.00 C ATOM 2102 O GLU B 139 -1.064 -3.808 -11.671 1.00 0.00 O ATOM 2103 CB GLU B 139 0.409 -4.631 -14.470 1.00 0.00 C ATOM 2104 CG GLU B 139 -0.636 -3.606 -14.941 1.00 0.00 C ATOM 2105 CD GLU B 139 -1.014 -3.799 -16.422 1.00 0.00 C ATOM 2106 OE1 GLU B 139 -0.196 -3.470 -17.316 1.00 0.00 O ATOM 2107 OE2 GLU B 139 -2.145 -4.269 -16.699 1.00 0.00 O ATOM 0 H GLU B 139 2.498 -5.581 -13.499 1.00 0.00 H new ATOM 0 HA GLU B 139 1.032 -3.275 -12.935 1.00 0.00 H new ATOM 0 HB2 GLU B 139 1.274 -4.603 -15.133 1.00 0.00 H new ATOM 0 HB3 GLU B 139 -0.009 -5.636 -14.533 1.00 0.00 H new ATOM 0 HG2 GLU B 139 -1.531 -3.693 -14.325 1.00 0.00 H new ATOM 0 HG3 GLU B 139 -0.246 -2.599 -14.796 1.00 0.00 H new ATOM 2114 N GLU B 140 -0.237 -5.887 -11.442 1.00 0.00 N ATOM 2115 CA GLU B 140 -1.129 -6.324 -10.361 1.00 0.00 C ATOM 2116 C GLU B 140 -1.139 -5.344 -9.178 1.00 0.00 C ATOM 2117 O GLU B 140 -2.190 -5.150 -8.568 1.00 0.00 O ATOM 2118 CB GLU B 140 -0.734 -7.720 -9.861 1.00 0.00 C ATOM 2119 CG GLU B 140 -1.186 -8.875 -10.753 1.00 0.00 C ATOM 2120 CD GLU B 140 -2.709 -9.083 -10.664 1.00 0.00 C ATOM 2121 OE1 GLU B 140 -3.184 -9.700 -9.679 1.00 0.00 O ATOM 2122 OE2 GLU B 140 -3.447 -8.601 -11.556 1.00 0.00 O ATOM 0 H GLU B 140 0.414 -6.615 -11.737 1.00 0.00 H new ATOM 0 HA GLU B 140 -2.134 -6.354 -10.782 1.00 0.00 H new ATOM 0 HB2 GLU B 140 0.351 -7.761 -9.761 1.00 0.00 H new ATOM 0 HB3 GLU B 140 -1.152 -7.865 -8.865 1.00 0.00 H new ATOM 0 HG2 GLU B 140 -0.904 -8.672 -11.786 1.00 0.00 H new ATOM 0 HG3 GLU B 140 -0.673 -9.790 -10.456 1.00 0.00 H new ATOM 2129 N LEU B 141 0.000 -4.703 -8.871 1.00 0.00 N ATOM 2130 CA LEU B 141 0.112 -3.678 -7.830 1.00 0.00 C ATOM 2131 C LEU B 141 -0.856 -2.545 -8.134 1.00 0.00 C ATOM 2132 O LEU B 141 -1.759 -2.280 -7.352 1.00 0.00 O ATOM 2133 CB LEU B 141 1.529 -3.078 -7.761 1.00 0.00 C ATOM 2134 CG LEU B 141 2.612 -4.051 -7.300 1.00 0.00 C ATOM 2135 CD1 LEU B 141 3.980 -3.500 -7.693 1.00 0.00 C ATOM 2136 CD2 LEU B 141 2.585 -4.218 -5.786 1.00 0.00 C ATOM 0 H LEU B 141 0.882 -4.888 -9.349 1.00 0.00 H new ATOM 0 HA LEU B 141 -0.116 -4.157 -6.878 1.00 0.00 H new ATOM 0 HB2 LEU B 141 1.797 -2.698 -8.747 1.00 0.00 H new ATOM 0 HB3 LEU B 141 1.515 -2.224 -7.084 1.00 0.00 H new ATOM 0 HG LEU B 141 2.428 -5.016 -7.772 1.00 0.00 H new ATOM 0 HD11 LEU B 141 4.758 -4.190 -7.367 1.00 0.00 H new ATOM 0 HD12 LEU B 141 4.028 -3.385 -8.776 1.00 0.00 H new ATOM 0 HD13 LEU B 141 4.132 -2.531 -7.218 1.00 0.00 H new ATOM 0 HD21 LEU B 141 3.366 -4.916 -5.483 1.00 0.00 H new ATOM 0 HD22 LEU B 141 2.757 -3.252 -5.310 1.00 0.00 H new ATOM 0 HD23 LEU B 141 1.613 -4.606 -5.480 1.00 0.00 H new ATOM 2148 N LEU B 142 -0.665 -1.877 -9.272 1.00 0.00 N ATOM 2149 CA LEU B 142 -1.461 -0.728 -9.693 1.00 0.00 C ATOM 2150 C LEU B 142 -2.957 -1.076 -9.750 1.00 0.00 C ATOM 2151 O LEU B 142 -3.776 -0.286 -9.284 1.00 0.00 O ATOM 2152 CB LEU B 142 -0.914 -0.132 -11.000 1.00 0.00 C ATOM 2153 CG LEU B 142 0.620 0.060 -11.083 1.00 0.00 C ATOM 2154 CD1 LEU B 142 0.924 1.047 -12.210 1.00 0.00 C ATOM 2155 CD2 LEU B 142 1.311 0.592 -9.818 1.00 0.00 C ATOM 0 H LEU B 142 0.064 -2.127 -9.940 1.00 0.00 H new ATOM 0 HA LEU B 142 -1.370 0.057 -8.942 1.00 0.00 H new ATOM 0 HB2 LEU B 142 -1.222 -0.776 -11.824 1.00 0.00 H new ATOM 0 HB3 LEU B 142 -1.388 0.837 -11.158 1.00 0.00 H new ATOM 0 HG LEU B 142 1.015 -0.943 -11.244 1.00 0.00 H new ATOM 0 HD11 LEU B 142 2.001 1.195 -12.283 1.00 0.00 H new ATOM 0 HD12 LEU B 142 0.547 0.650 -13.153 1.00 0.00 H new ATOM 0 HD13 LEU B 142 0.441 2.001 -11.999 1.00 0.00 H new ATOM 0 HD21 LEU B 142 2.382 0.684 -10.000 1.00 0.00 H new ATOM 0 HD22 LEU B 142 0.901 1.569 -9.563 1.00 0.00 H new ATOM 0 HD23 LEU B 142 1.141 -0.099 -8.992 1.00 0.00 H new ATOM 2167 N ARG B 143 -3.315 -2.271 -10.245 1.00 0.00 N ATOM 2168 CA ARG B 143 -4.695 -2.805 -10.241 1.00 0.00 C ATOM 2169 C ARG B 143 -5.243 -2.882 -8.807 1.00 0.00 C ATOM 2170 O ARG B 143 -6.359 -2.437 -8.543 1.00 0.00 O ATOM 2171 CB ARG B 143 -4.747 -4.191 -10.908 1.00 0.00 C ATOM 2172 CG ARG B 143 -4.388 -4.194 -12.406 1.00 0.00 C ATOM 2173 CD ARG B 143 -4.273 -5.645 -12.894 1.00 0.00 C ATOM 2174 NE ARG B 143 -3.711 -5.757 -14.252 1.00 0.00 N ATOM 2175 CZ ARG B 143 -3.359 -6.877 -14.860 1.00 0.00 C ATOM 2176 NH1 ARG B 143 -3.420 -8.044 -14.283 1.00 0.00 N ATOM 2177 NH2 ARG B 143 -2.919 -6.841 -16.082 1.00 0.00 N ATOM 0 H ARG B 143 -2.643 -2.910 -10.669 1.00 0.00 H new ATOM 0 HA ARG B 143 -5.322 -2.123 -10.815 1.00 0.00 H new ATOM 0 HB2 ARG B 143 -4.064 -4.859 -10.383 1.00 0.00 H new ATOM 0 HB3 ARG B 143 -5.750 -4.601 -10.787 1.00 0.00 H new ATOM 0 HG2 ARG B 143 -5.152 -3.665 -12.976 1.00 0.00 H new ATOM 0 HG3 ARG B 143 -3.447 -3.667 -12.568 1.00 0.00 H new ATOM 0 HD2 ARG B 143 -3.646 -6.206 -12.201 1.00 0.00 H new ATOM 0 HD3 ARG B 143 -5.260 -6.107 -12.877 1.00 0.00 H new ATOM 0 HE ARG B 143 -3.581 -4.889 -14.772 1.00 0.00 H new ATOM 0 HH11 ARG B 143 -3.751 -8.121 -13.321 1.00 0.00 H new ATOM 0 HH12 ARG B 143 -3.137 -8.881 -14.793 1.00 0.00 H new ATOM 0 HH21 ARG B 143 -2.845 -5.949 -16.571 1.00 0.00 H new ATOM 0 HH22 ARG B 143 -2.647 -7.705 -16.552 1.00 0.00 H new ATOM 2191 N ALA B 144 -4.459 -3.427 -7.875 1.00 0.00 N ATOM 2192 CA ALA B 144 -4.801 -3.519 -6.458 1.00 0.00 C ATOM 2193 C ALA B 144 -4.930 -2.120 -5.809 1.00 0.00 C ATOM 2194 O ALA B 144 -5.910 -1.875 -5.109 1.00 0.00 O ATOM 2195 CB ALA B 144 -3.784 -4.415 -5.738 1.00 0.00 C ATOM 0 H ALA B 144 -3.546 -3.826 -8.092 1.00 0.00 H new ATOM 0 HA ALA B 144 -5.783 -3.982 -6.359 1.00 0.00 H new ATOM 0 HB1 ALA B 144 -4.042 -4.482 -4.681 1.00 0.00 H new ATOM 0 HB2 ALA B 144 -3.801 -5.412 -6.179 1.00 0.00 H new ATOM 0 HB3 ALA B 144 -2.786 -3.989 -5.842 1.00 0.00 H new ATOM 2201 N LEU B 145 -3.986 -1.197 -6.039 1.00 0.00 N ATOM 2202 CA LEU B 145 -4.021 0.183 -5.523 1.00 0.00 C ATOM 2203 C LEU B 145 -5.215 0.984 -6.087 1.00 0.00 C ATOM 2204 O LEU B 145 -5.759 1.854 -5.409 1.00 0.00 O ATOM 2205 CB LEU B 145 -2.716 0.947 -5.834 1.00 0.00 C ATOM 2206 CG LEU B 145 -1.380 0.354 -5.348 1.00 0.00 C ATOM 2207 CD1 LEU B 145 -0.250 1.327 -5.638 1.00 0.00 C ATOM 2208 CD2 LEU B 145 -1.298 0.037 -3.861 1.00 0.00 C ATOM 0 H LEU B 145 -3.157 -1.391 -6.601 1.00 0.00 H new ATOM 0 HA LEU B 145 -4.134 0.092 -4.443 1.00 0.00 H new ATOM 0 HB2 LEU B 145 -2.652 1.065 -6.916 1.00 0.00 H new ATOM 0 HB3 LEU B 145 -2.808 1.946 -5.409 1.00 0.00 H new ATOM 0 HG LEU B 145 -1.300 -0.588 -5.890 1.00 0.00 H new ATOM 0 HD11 LEU B 145 0.693 0.903 -5.292 1.00 0.00 H new ATOM 0 HD12 LEU B 145 -0.194 1.510 -6.711 1.00 0.00 H new ATOM 0 HD13 LEU B 145 -0.437 2.267 -5.119 1.00 0.00 H new ATOM 0 HD21 LEU B 145 -0.315 -0.375 -3.630 1.00 0.00 H new ATOM 0 HD22 LEU B 145 -1.453 0.949 -3.285 1.00 0.00 H new ATOM 0 HD23 LEU B 145 -2.067 -0.691 -3.601 1.00 0.00 H new ATOM 2220 N ASP B 146 -5.613 0.738 -7.336 1.00 0.00 N ATOM 2221 CA ASP B 146 -6.730 1.401 -8.023 1.00 0.00 C ATOM 2222 C ASP B 146 -8.085 1.166 -7.335 1.00 0.00 C ATOM 2223 O ASP B 146 -8.872 2.107 -7.222 1.00 0.00 O ATOM 2224 CB ASP B 146 -6.775 0.944 -9.492 1.00 0.00 C ATOM 2225 CG ASP B 146 -7.987 1.504 -10.256 1.00 0.00 C ATOM 2226 OD1 ASP B 146 -7.915 2.662 -10.725 1.00 0.00 O ATOM 2227 OD2 ASP B 146 -8.998 0.779 -10.412 1.00 0.00 O ATOM 0 H ASP B 146 -5.150 0.044 -7.923 1.00 0.00 H new ATOM 0 HA ASP B 146 -6.551 2.475 -7.976 1.00 0.00 H new ATOM 0 HB2 ASP B 146 -5.859 1.258 -9.993 1.00 0.00 H new ATOM 0 HB3 ASP B 146 -6.801 -0.145 -9.528 1.00 0.00 H new ATOM 2232 N GLN B 147 -8.369 -0.063 -6.883 1.00 0.00 N ATOM 2233 CA GLN B 147 -9.650 -0.469 -6.271 1.00 0.00 C ATOM 2234 C GLN B 147 -10.140 0.410 -5.097 1.00 0.00 C ATOM 2235 O GLN B 147 -11.321 0.365 -4.745 1.00 0.00 O ATOM 2236 CB GLN B 147 -9.614 -1.965 -5.897 1.00 0.00 C ATOM 2237 CG GLN B 147 -9.106 -2.249 -4.474 1.00 0.00 C ATOM 2238 CD GLN B 147 -8.787 -3.726 -4.256 1.00 0.00 C ATOM 2239 OE1 GLN B 147 -9.662 -4.578 -4.157 1.00 0.00 O ATOM 2240 NE2 GLN B 147 -7.525 -4.084 -4.175 1.00 0.00 N ATOM 0 H GLN B 147 -7.696 -0.828 -6.933 1.00 0.00 H new ATOM 0 HA GLN B 147 -10.403 -0.303 -7.041 1.00 0.00 H new ATOM 0 HB2 GLN B 147 -10.617 -2.378 -6.001 1.00 0.00 H new ATOM 0 HB3 GLN B 147 -8.978 -2.490 -6.609 1.00 0.00 H new ATOM 0 HG2 GLN B 147 -8.212 -1.655 -4.285 1.00 0.00 H new ATOM 0 HG3 GLN B 147 -9.858 -1.932 -3.752 1.00 0.00 H new ATOM 0 HE21 GLN B 147 -6.790 -3.382 -4.256 1.00 0.00 H new ATOM 0 HE22 GLN B 147 -7.281 -5.064 -4.031 1.00 0.00 H new ATOM 2249 N VAL B 148 -9.252 1.207 -4.488 1.00 0.00 N ATOM 2250 CA VAL B 148 -9.542 2.141 -3.387 1.00 0.00 C ATOM 2251 C VAL B 148 -10.574 3.210 -3.798 1.00 0.00 C ATOM 2252 O VAL B 148 -11.392 3.619 -2.968 1.00 0.00 O ATOM 2253 CB VAL B 148 -8.248 2.831 -2.893 1.00 0.00 C ATOM 2254 CG1 VAL B 148 -8.481 3.647 -1.613 1.00 0.00 C ATOM 2255 CG2 VAL B 148 -7.119 1.856 -2.539 1.00 0.00 C ATOM 0 H VAL B 148 -8.269 1.221 -4.759 1.00 0.00 H new ATOM 0 HA VAL B 148 -9.967 1.551 -2.575 1.00 0.00 H new ATOM 0 HB VAL B 148 -7.962 3.456 -3.739 1.00 0.00 H new ATOM 0 HG11 VAL B 148 -7.546 4.113 -1.303 1.00 0.00 H new ATOM 0 HG12 VAL B 148 -9.226 4.420 -1.805 1.00 0.00 H new ATOM 0 HG13 VAL B 148 -8.837 2.988 -0.821 1.00 0.00 H new ATOM 0 HG21 VAL B 148 -6.247 2.416 -2.201 1.00 0.00 H new ATOM 0 HG22 VAL B 148 -7.451 1.188 -1.744 1.00 0.00 H new ATOM 0 HG23 VAL B 148 -6.855 1.270 -3.419 1.00 0.00 H new ATOM 2265 N ASN B 149 -10.519 3.689 -5.053 1.00 0.00 N ATOM 2266 CA ASN B 149 -11.389 4.761 -5.578 1.00 0.00 C ATOM 2267 C ASN B 149 -12.903 4.429 -5.536 1.00 0.00 C ATOM 2268 O ASN B 149 -13.306 3.280 -5.833 1.00 0.00 O ATOM 2269 CB ASN B 149 -10.925 5.217 -6.985 1.00 0.00 C ATOM 2270 CG ASN B 149 -11.549 4.467 -8.158 1.00 0.00 C ATOM 2271 OD1 ASN B 149 -12.486 4.942 -8.787 1.00 0.00 O ATOM 2272 ND2 ASN B 149 -11.049 3.312 -8.518 1.00 0.00 N ATOM 2273 OXT ASN B 149 -13.688 5.352 -5.221 1.00 0.00 O ATOM 0 H ASN B 149 -9.857 3.337 -5.745 1.00 0.00 H new ATOM 0 HA ASN B 149 -11.274 5.602 -4.894 1.00 0.00 H new ATOM 0 HB2 ASN B 149 -11.147 6.278 -7.095 1.00 0.00 H new ATOM 0 HB3 ASN B 149 -9.842 5.111 -7.043 1.00 0.00 H new ATOM 0 HD21 ASN B 149 -11.440 2.814 -9.318 1.00 0.00 H new ATOM 0 HD22 ASN B 149 -10.268 2.910 -7.999 1.00 0.00 H new