USER MOD reduce.3.24.130724 H: found=0, std=0, add=1043, rem=0, adj=47 USER MOD reduce.3.24.130724 removed 1042 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 119 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 124 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 113 THR OG1 : rot -64:sc= 1.26 USER MOD Set 2.2: A 128 ASN : amide:sc= 1.66 K(o=2.9,f=-2.9!) USER MOD Set 3.1: A 96 GLN : amide:sc= 0 X(o=0.8,f=0.73) USER MOD Set 3.2: A 102 THR OG1 : rot 56:sc= 0.803 USER MOD Set 4.1: A 87 ASN : amide:sc= 1.05 K(o=3,f=-2.9) USER MOD Set 4.2: A 91 LYS NZ :NH3+ -162:sc= 1.27 (180deg=-0.045) USER MOD Set 4.3: A 93 THR OG1 : rot 2:sc= 0.658 USER MOD Set 5.1: A 26 SER OG : rot -103:sc= 2.08 USER MOD Set 5.2: A 29 THR OG1 : rot -122:sc= 1.3 USER MOD Single : A 1 MET CE :methyl -161:sc= 0 (180deg=-0.33) USER MOD Single : A 1 MET N :NH3+ -133:sc= 1.48 (180deg=0.282) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ -132:sc= 1.94 (180deg=-0.14) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot -140:sc= -0.173 USER MOD Single : A 14 HIS : no HE2:sc= 1.1 K(o=1.1,f=-6.1!) USER MOD Single : A 15 ASN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot -160:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 154:sc= 1.07 (180deg=0.356) USER MOD Single : A 31 GLN : amide:sc= 0.0762 X(o=0.076,f=0.0064) USER MOD Single : A 34 ASN : amide:sc= 0.986 K(o=0.99,f=-4.1!) USER MOD Single : A 35 THR OG1 : rot 118:sc= 1.2 USER MOD Single : A 37 THR OG1 : rot 19:sc= 1.23 USER MOD Single : A 39 THR OG1 : rot 106:sc= 1.21 USER MOD Single : A 41 THR OG1 : rot 67:sc= 1.11 USER MOD Single : A 43 THR OG1 : rot 140:sc= 0 USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 71:sc= -0.765! USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= -0.0716 USER MOD Single : A 56 THR OG1 : rot -150:sc= -0.421 USER MOD Single : A 58 LYS NZ :NH3+ -164:sc= 1.23 (180deg=0.997) USER MOD Single : A 59 ASN : amide:sc= 1.29 K(o=1.3,f=-0.5) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 165:sc= 2.25 (180deg=2.05) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot -81:sc= 1.23 USER MOD Single : A 75 SER OG : rot 110:sc= -0.0811 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 81 LYS NZ :NH3+ -130:sc= 1.21 (180deg=-0.78!) USER MOD Single : A 82 SER OG : rot 17:sc= 0.925 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 7:sc= 0.676 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= 1.76 K(o=1.8,f=-4.5!) USER MOD Single : A 95 THR OG1 : rot 150:sc= -0.0574 USER MOD Single : A 100 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.0929) USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 103 THR OG1 : rot -130:sc= 0.632 USER MOD Single : A 114 MET CE :methyl 139:sc= -0.0162 (180deg=-2.29!) USER MOD Single : A 115 LYS NZ :NH3+ -154:sc= 0.913! (180deg=-1.57) USER MOD Single : A 116 THR OG1 : rot 19:sc= 0.653 USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.418 USER MOD Single : A 129 TYR OH : rot 180:sc= 0 USER MOD Single : A 130 LYS NZ :NH3+ 146:sc= 1.16 (180deg=0.292) USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.302 -16.737 7.810 1.00 0.00 N ATOM 2 CA MET A 1 3.600 -15.461 7.475 1.00 0.00 C ATOM 3 C MET A 1 2.029 -15.568 7.376 1.00 0.00 C ATOM 4 O MET A 1 1.340 -14.546 7.442 1.00 0.00 O ATOM 5 CB MET A 1 4.128 -14.775 6.176 1.00 0.00 C ATOM 6 CG MET A 1 5.651 -14.692 6.005 1.00 0.00 C ATOM 7 SD MET A 1 6.207 -16.259 5.287 1.00 0.00 S ATOM 8 CE MET A 1 7.879 -16.385 5.935 1.00 0.00 C ATOM 0 H1 MET A 1 4.999 -16.563 8.562 1.00 0.00 H new ATOM 0 H2 MET A 1 3.608 -17.440 8.136 1.00 0.00 H new ATOM 0 H3 MET A 1 4.788 -17.098 6.965 1.00 0.00 H new ATOM 0 HA MET A 1 3.842 -14.841 8.338 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.719 -15.310 5.319 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.727 -13.762 6.140 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.919 -13.857 5.357 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.135 -14.518 6.966 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.451 -17.091 5.332 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.358 -15.406 5.899 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.844 -16.734 6.967 1.00 0.00 H new ATOM 19 N SER A 2 1.494 -16.784 7.198 1.00 0.00 N ATOM 20 CA SER A 2 0.070 -17.028 6.883 1.00 0.00 C ATOM 21 C SER A 2 -1.013 -16.782 7.974 1.00 0.00 C ATOM 22 O SER A 2 -2.182 -16.615 7.612 1.00 0.00 O ATOM 23 CB SER A 2 -0.046 -18.473 6.318 1.00 0.00 C ATOM 24 OG SER A 2 0.262 -19.468 7.294 1.00 0.00 O ATOM 0 H SER A 2 2.042 -17.641 7.269 1.00 0.00 H new ATOM 0 HA SER A 2 -0.180 -16.243 6.169 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.058 -18.634 5.946 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.627 -18.582 5.468 1.00 0.00 H new ATOM 0 HG SER A 2 0.174 -20.358 6.893 1.00 0.00 H new ATOM 30 N SER A 3 -0.650 -16.721 9.269 1.00 0.00 N ATOM 31 CA SER A 3 -1.598 -16.404 10.373 1.00 0.00 C ATOM 32 C SER A 3 -2.483 -15.128 10.201 1.00 0.00 C ATOM 33 O SER A 3 -3.685 -15.195 10.475 1.00 0.00 O ATOM 34 CB SER A 3 -0.783 -16.354 11.689 1.00 0.00 C ATOM 35 OG SER A 3 -1.632 -16.240 12.831 1.00 0.00 O ATOM 0 H SER A 3 0.305 -16.888 9.587 1.00 0.00 H new ATOM 0 HA SER A 3 -2.343 -17.199 10.375 1.00 0.00 H new ATOM 0 HB2 SER A 3 -0.176 -17.255 11.775 1.00 0.00 H new ATOM 0 HB3 SER A 3 -0.096 -15.508 11.660 1.00 0.00 H new ATOM 0 HG SER A 3 -1.085 -16.213 13.644 1.00 0.00 H new ATOM 41 N PHE A 4 -1.900 -14.014 9.727 1.00 0.00 N ATOM 42 CA PHE A 4 -2.657 -12.826 9.281 1.00 0.00 C ATOM 43 C PHE A 4 -2.667 -12.630 7.733 1.00 0.00 C ATOM 44 O PHE A 4 -2.058 -11.699 7.219 1.00 0.00 O ATOM 45 CB PHE A 4 -2.295 -11.574 10.109 1.00 0.00 C ATOM 46 CG PHE A 4 -0.896 -10.955 10.182 1.00 0.00 C ATOM 47 CD1 PHE A 4 0.268 -11.512 9.617 1.00 0.00 C ATOM 48 CD2 PHE A 4 -0.770 -9.783 10.943 1.00 0.00 C ATOM 49 CE1 PHE A 4 1.515 -10.924 9.838 1.00 0.00 C ATOM 50 CE2 PHE A 4 0.476 -9.195 11.161 1.00 0.00 C ATOM 51 CZ PHE A 4 1.616 -9.772 10.612 1.00 0.00 C ATOM 0 H PHE A 4 -0.889 -13.909 9.641 1.00 0.00 H new ATOM 0 HA PHE A 4 -3.708 -13.014 9.500 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -2.958 -10.781 9.762 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -2.579 -11.800 11.137 1.00 0.00 H new ATOM 0 HD1 PHE A 4 0.195 -12.401 9.008 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -1.653 -9.328 11.367 1.00 0.00 H new ATOM 0 HE1 PHE A 4 2.402 -11.364 9.408 1.00 0.00 H new ATOM 0 HE2 PHE A 4 0.555 -8.296 11.754 1.00 0.00 H new ATOM 0 HZ PHE A 4 2.583 -9.324 10.787 1.00 0.00 H new ATOM 61 N LEU A 5 -3.440 -13.464 7.022 1.00 0.00 N ATOM 62 CA LEU A 5 -3.898 -13.210 5.626 1.00 0.00 C ATOM 63 C LEU A 5 -5.398 -12.736 5.656 1.00 0.00 C ATOM 64 O LEU A 5 -6.241 -13.338 6.336 1.00 0.00 O ATOM 65 CB LEU A 5 -3.797 -14.531 4.814 1.00 0.00 C ATOM 66 CG LEU A 5 -2.355 -15.006 4.525 1.00 0.00 C ATOM 67 CD1 LEU A 5 -2.381 -16.463 4.034 1.00 0.00 C ATOM 68 CD2 LEU A 5 -1.625 -14.148 3.491 1.00 0.00 C ATOM 0 H LEU A 5 -3.776 -14.351 7.397 1.00 0.00 H new ATOM 0 HA LEU A 5 -3.278 -12.442 5.164 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -4.321 -15.317 5.359 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -4.318 -14.399 3.866 1.00 0.00 H new ATOM 0 HG LEU A 5 -1.807 -14.914 5.463 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -1.363 -16.797 3.831 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -2.824 -17.098 4.801 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -2.974 -16.529 3.122 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -0.619 -14.539 3.338 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -2.171 -14.172 2.548 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -1.564 -13.120 3.849 1.00 0.00 H new ATOM 80 N GLY A 6 -5.720 -11.660 4.939 1.00 0.00 N ATOM 81 CA GLY A 6 -7.092 -11.114 4.895 1.00 0.00 C ATOM 82 C GLY A 6 -7.182 -9.638 4.487 1.00 0.00 C ATOM 83 O GLY A 6 -6.198 -8.892 4.473 1.00 0.00 O ATOM 0 H GLY A 6 -5.049 -11.140 4.374 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -7.682 -11.707 4.196 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -7.548 -11.234 5.878 1.00 0.00 H new ATOM 87 N LYS A 7 -8.420 -9.199 4.229 1.00 0.00 N ATOM 88 CA LYS A 7 -8.749 -7.758 4.156 1.00 0.00 C ATOM 89 C LYS A 7 -9.017 -7.181 5.565 1.00 0.00 C ATOM 90 O LYS A 7 -9.943 -7.614 6.258 1.00 0.00 O ATOM 91 CB LYS A 7 -9.846 -7.401 3.131 1.00 0.00 C ATOM 92 CG LYS A 7 -11.203 -8.117 3.137 1.00 0.00 C ATOM 93 CD LYS A 7 -11.202 -9.444 2.360 1.00 0.00 C ATOM 94 CE LYS A 7 -12.590 -10.048 2.076 1.00 0.00 C ATOM 95 NZ LYS A 7 -13.313 -10.399 3.328 1.00 0.00 N ATOM 0 H LYS A 7 -9.215 -9.816 4.066 1.00 0.00 H new ATOM 0 HA LYS A 7 -7.862 -7.264 3.759 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -10.048 -6.335 3.239 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -9.415 -7.545 2.140 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -11.498 -8.310 4.168 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -11.956 -7.455 2.708 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -10.692 -9.288 1.410 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -10.616 -10.172 2.920 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -13.184 -9.337 1.502 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -12.478 -10.940 1.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -13.697 -11.362 3.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -12.656 -10.353 4.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -14.092 -9.727 3.479 1.00 0.00 H new ATOM 109 N TRP A 8 -8.185 -6.216 5.978 1.00 0.00 N ATOM 110 CA TRP A 8 -8.370 -5.487 7.248 1.00 0.00 C ATOM 111 C TRP A 8 -8.451 -3.978 6.936 1.00 0.00 C ATOM 112 O TRP A 8 -7.543 -3.414 6.316 1.00 0.00 O ATOM 113 CB TRP A 8 -7.336 -5.873 8.315 1.00 0.00 C ATOM 114 CG TRP A 8 -5.820 -5.793 8.003 1.00 0.00 C ATOM 115 CD1 TRP A 8 -4.984 -4.653 8.080 1.00 0.00 C ATOM 116 CD2 TRP A 8 -4.951 -6.848 7.723 1.00 0.00 C ATOM 117 NE1 TRP A 8 -3.629 -4.967 7.894 1.00 0.00 N ATOM 118 CE2 TRP A 8 -3.630 -6.324 7.667 1.00 0.00 C ATOM 119 CE3 TRP A 8 -5.169 -8.253 7.562 1.00 0.00 C ATOM 120 CZ2 TRP A 8 -2.529 -7.196 7.481 1.00 0.00 C ATOM 121 CZ3 TRP A 8 -4.071 -9.082 7.373 1.00 0.00 C ATOM 122 CH2 TRP A 8 -2.764 -8.560 7.346 1.00 0.00 C ATOM 0 H TRP A 8 -7.367 -5.917 5.447 1.00 0.00 H new ATOM 0 HA TRP A 8 -9.312 -5.780 7.712 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -7.520 -5.242 9.185 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -7.550 -6.899 8.614 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -5.349 -3.653 8.262 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -2.829 -4.335 7.921 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -6.169 -8.661 7.587 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -1.522 -6.807 7.445 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -4.222 -10.144 7.245 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -1.928 -9.232 7.218 1.00 0.00 H new ATOM 133 N LYS A 9 -9.562 -3.340 7.329 1.00 0.00 N ATOM 134 CA LYS A 9 -9.815 -1.910 7.025 1.00 0.00 C ATOM 135 C LYS A 9 -9.972 -1.105 8.338 1.00 0.00 C ATOM 136 O LYS A 9 -10.430 -1.629 9.361 1.00 0.00 O ATOM 137 CB LYS A 9 -10.945 -1.785 5.990 1.00 0.00 C ATOM 138 CG LYS A 9 -12.396 -1.964 6.454 1.00 0.00 C ATOM 139 CD LYS A 9 -13.341 -1.934 5.229 1.00 0.00 C ATOM 140 CE LYS A 9 -14.798 -1.693 5.640 1.00 0.00 C ATOM 141 NZ LYS A 9 -15.639 -1.577 4.416 1.00 0.00 N ATOM 0 H LYS A 9 -10.308 -3.788 7.861 1.00 0.00 H new ATOM 0 HA LYS A 9 -8.959 -1.444 6.537 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -10.865 -0.800 5.531 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -10.757 -2.518 5.206 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -12.504 -2.909 6.986 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -12.665 -1.172 7.153 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -13.022 -1.149 4.543 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -13.267 -2.878 4.690 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -15.153 -2.514 6.263 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -14.875 -0.784 6.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -16.629 -1.413 4.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -15.303 -0.780 3.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -15.573 -2.456 3.865 1.00 0.00 H new ATOM 155 N LEU A 10 -9.536 0.161 8.308 1.00 0.00 N ATOM 156 CA LEU A 10 -9.293 0.973 9.530 1.00 0.00 C ATOM 157 C LEU A 10 -10.519 1.122 10.480 1.00 0.00 C ATOM 158 O LEU A 10 -11.578 1.624 10.097 1.00 0.00 O ATOM 159 CB LEU A 10 -8.751 2.342 9.048 1.00 0.00 C ATOM 160 CG LEU A 10 -8.132 3.237 10.144 1.00 0.00 C ATOM 161 CD1 LEU A 10 -6.750 2.755 10.598 1.00 0.00 C ATOM 162 CD2 LEU A 10 -7.998 4.674 9.614 1.00 0.00 C ATOM 0 H LEU A 10 -9.339 0.661 7.441 1.00 0.00 H new ATOM 0 HA LEU A 10 -8.571 0.452 10.159 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -7.998 2.165 8.280 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -9.566 2.889 8.574 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.800 3.191 11.004 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -6.367 3.424 11.369 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -6.831 1.745 11.001 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -6.068 2.753 9.748 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -7.561 5.307 10.386 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.355 4.679 8.734 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -8.983 5.056 9.346 1.00 0.00 H new ATOM 174 N SER A 11 -10.331 0.658 11.716 1.00 0.00 N ATOM 175 CA SER A 11 -11.339 0.742 12.792 1.00 0.00 C ATOM 176 C SER A 11 -11.321 2.075 13.600 1.00 0.00 C ATOM 177 O SER A 11 -12.393 2.587 13.928 1.00 0.00 O ATOM 178 CB SER A 11 -11.145 -0.485 13.718 1.00 0.00 C ATOM 179 OG SER A 11 -12.221 -0.606 14.647 1.00 0.00 O ATOM 0 H SER A 11 -9.465 0.206 12.009 1.00 0.00 H new ATOM 0 HA SER A 11 -12.324 0.734 12.326 1.00 0.00 H new ATOM 0 HB2 SER A 11 -11.077 -1.391 13.116 1.00 0.00 H new ATOM 0 HB3 SER A 11 -10.203 -0.391 14.259 1.00 0.00 H new ATOM 0 HG SER A 11 -12.074 -1.389 15.218 1.00 0.00 H new ATOM 185 N GLU A 12 -10.130 2.599 13.938 1.00 0.00 N ATOM 186 CA GLU A 12 -9.966 3.894 14.635 1.00 0.00 C ATOM 187 C GLU A 12 -8.741 4.667 14.043 1.00 0.00 C ATOM 188 O GLU A 12 -7.602 4.181 14.034 1.00 0.00 O ATOM 189 CB GLU A 12 -9.876 3.768 16.185 1.00 0.00 C ATOM 190 CG GLU A 12 -8.886 2.724 16.707 1.00 0.00 C ATOM 191 CD GLU A 12 -8.534 2.723 18.173 1.00 0.00 C ATOM 192 OE1 GLU A 12 -8.322 3.802 18.767 1.00 0.00 O ATOM 193 OE2 GLU A 12 -8.397 1.608 18.726 1.00 0.00 O ATOM 0 H GLU A 12 -9.245 2.135 13.735 1.00 0.00 H new ATOM 0 HA GLU A 12 -10.874 4.469 14.454 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -9.602 4.740 16.595 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -10.867 3.528 16.570 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -9.286 1.740 16.463 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -7.959 2.839 16.145 1.00 0.00 H new ATOM 200 N SER A 13 -8.992 5.898 13.579 1.00 0.00 N ATOM 201 CA SER A 13 -7.925 6.825 13.122 1.00 0.00 C ATOM 202 C SER A 13 -7.348 7.643 14.310 1.00 0.00 C ATOM 203 O SER A 13 -7.752 8.785 14.548 1.00 0.00 O ATOM 204 CB SER A 13 -8.570 7.717 12.028 1.00 0.00 C ATOM 205 OG SER A 13 -7.699 8.760 11.591 1.00 0.00 O ATOM 0 H SER A 13 -9.932 6.287 13.506 1.00 0.00 H new ATOM 0 HA SER A 13 -7.070 6.290 12.710 1.00 0.00 H new ATOM 0 HB2 SER A 13 -8.847 7.098 11.175 1.00 0.00 H new ATOM 0 HB3 SER A 13 -9.490 8.155 12.416 1.00 0.00 H new ATOM 0 HG SER A 13 -8.214 9.583 11.460 1.00 0.00 H new ATOM 211 N HIS A 14 -6.414 7.051 15.074 1.00 0.00 N ATOM 212 CA HIS A 14 -6.105 7.548 16.449 1.00 0.00 C ATOM 213 C HIS A 14 -5.143 8.771 16.505 1.00 0.00 C ATOM 214 O HIS A 14 -5.439 9.722 17.231 1.00 0.00 O ATOM 215 CB HIS A 14 -5.682 6.334 17.292 1.00 0.00 C ATOM 216 CG HIS A 14 -5.868 6.511 18.817 1.00 0.00 C ATOM 217 ND1 HIS A 14 -6.713 5.691 19.541 1.00 0.00 N ATOM 218 CD2 HIS A 14 -5.243 7.432 19.704 1.00 0.00 C ATOM 219 CE1 HIS A 14 -6.549 6.172 20.806 1.00 0.00 C ATOM 220 NE2 HIS A 14 -5.682 7.216 21.001 1.00 0.00 N ATOM 0 H HIS A 14 -5.864 6.244 14.782 1.00 0.00 H new ATOM 0 HA HIS A 14 -7.001 7.988 16.887 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -6.256 5.466 16.968 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -4.633 6.116 17.090 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -7.304 4.927 19.214 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -4.531 8.189 19.410 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -7.090 5.741 21.635 1.00 0.00 H new ATOM 229 N ASN A 15 -4.039 8.788 15.737 1.00 0.00 N ATOM 230 CA ASN A 15 -3.566 10.071 15.121 1.00 0.00 C ATOM 231 C ASN A 15 -3.156 9.868 13.622 1.00 0.00 C ATOM 232 O ASN A 15 -2.081 10.287 13.183 1.00 0.00 O ATOM 233 CB ASN A 15 -2.472 10.713 16.009 1.00 0.00 C ATOM 234 CG ASN A 15 -2.158 12.167 15.656 1.00 0.00 C ATOM 235 OD1 ASN A 15 -1.133 12.485 15.064 1.00 0.00 O ATOM 236 ND2 ASN A 15 -3.041 13.090 15.963 1.00 0.00 N ATOM 0 H ASN A 15 -3.467 7.970 15.525 1.00 0.00 H new ATOM 0 HA ASN A 15 -4.386 10.788 15.086 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -2.789 10.663 17.051 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -1.559 10.124 15.925 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -2.871 14.063 15.709 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -3.897 12.834 16.456 1.00 0.00 H new ATOM 243 N PHE A 16 -4.042 9.262 12.812 1.00 0.00 N ATOM 244 CA PHE A 16 -3.803 9.071 11.357 1.00 0.00 C ATOM 245 C PHE A 16 -4.288 10.293 10.522 1.00 0.00 C ATOM 246 O PHE A 16 -5.275 10.234 9.784 1.00 0.00 O ATOM 247 CB PHE A 16 -4.437 7.704 11.022 1.00 0.00 C ATOM 248 CG PHE A 16 -4.151 7.159 9.623 1.00 0.00 C ATOM 249 CD1 PHE A 16 -2.839 6.849 9.229 1.00 0.00 C ATOM 250 CD2 PHE A 16 -5.203 6.897 8.739 1.00 0.00 C ATOM 251 CE1 PHE A 16 -2.592 6.286 7.971 1.00 0.00 C ATOM 252 CE2 PHE A 16 -4.958 6.315 7.497 1.00 0.00 C ATOM 253 CZ PHE A 16 -3.656 6.005 7.113 1.00 0.00 C ATOM 0 H PHE A 16 -4.936 8.892 13.135 1.00 0.00 H new ATOM 0 HA PHE A 16 -2.747 9.038 11.087 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.088 6.975 11.753 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -5.517 7.787 11.145 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -2.016 7.046 9.900 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -6.215 7.148 9.022 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.579 6.069 7.665 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -5.781 6.104 6.830 1.00 0.00 H new ATOM 0 HZ PHE A 16 -3.470 5.548 6.152 1.00 0.00 H new ATOM 263 N ASP A 17 -3.557 11.410 10.677 1.00 0.00 N ATOM 264 CA ASP A 17 -4.030 12.756 10.276 1.00 0.00 C ATOM 265 C ASP A 17 -2.795 13.685 10.047 1.00 0.00 C ATOM 266 O ASP A 17 -2.432 13.970 8.901 1.00 0.00 O ATOM 267 CB ASP A 17 -5.116 13.302 11.240 1.00 0.00 C ATOM 268 CG ASP A 17 -4.855 13.224 12.742 1.00 0.00 C ATOM 269 OD1 ASP A 17 -4.022 14.002 13.252 1.00 0.00 O ATOM 270 OD2 ASP A 17 -5.458 12.362 13.415 1.00 0.00 O ATOM 0 H ASP A 17 -2.621 11.411 11.083 1.00 0.00 H new ATOM 0 HA ASP A 17 -4.554 12.707 9.322 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -5.290 14.348 10.987 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -6.043 12.766 11.035 1.00 0.00 H new ATOM 275 N ALA A 18 -2.115 14.093 11.127 1.00 0.00 N ATOM 276 CA ALA A 18 -0.840 14.843 11.055 1.00 0.00 C ATOM 277 C ALA A 18 0.422 14.010 10.678 1.00 0.00 C ATOM 278 O ALA A 18 1.367 14.566 10.122 1.00 0.00 O ATOM 279 CB ALA A 18 -0.617 15.507 12.422 1.00 0.00 C ATOM 0 H ALA A 18 -2.429 13.915 12.081 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.950 15.556 10.238 1.00 0.00 H new ATOM 0 HB1 ALA A 18 0.316 16.070 12.405 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -1.445 16.183 12.638 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.564 14.740 13.195 1.00 0.00 H new ATOM 285 N VAL A 19 0.405 12.695 10.933 1.00 0.00 N ATOM 286 CA VAL A 19 1.381 11.721 10.377 1.00 0.00 C ATOM 287 C VAL A 19 1.665 11.802 8.850 1.00 0.00 C ATOM 288 O VAL A 19 2.822 11.772 8.425 1.00 0.00 O ATOM 289 CB VAL A 19 0.951 10.302 10.866 1.00 0.00 C ATOM 290 CG1 VAL A 19 -0.218 9.647 10.126 1.00 0.00 C ATOM 291 CG2 VAL A 19 2.149 9.357 10.911 1.00 0.00 C ATOM 0 H VAL A 19 -0.293 12.262 11.538 1.00 0.00 H new ATOM 0 HA VAL A 19 2.365 11.986 10.764 1.00 0.00 H new ATOM 0 HB VAL A 19 0.563 10.482 11.869 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -0.419 8.667 10.559 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -1.105 10.274 10.219 1.00 0.00 H new ATOM 0 HG13 VAL A 19 0.037 9.533 9.072 1.00 0.00 H new ATOM 0 HG21 VAL A 19 1.825 8.375 11.255 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.580 9.269 9.914 1.00 0.00 H new ATOM 0 HG23 VAL A 19 2.898 9.752 11.597 1.00 0.00 H new ATOM 301 N MET A 20 0.590 11.950 8.065 1.00 0.00 N ATOM 302 CA MET A 20 0.665 12.220 6.622 1.00 0.00 C ATOM 303 C MET A 20 1.105 13.680 6.321 1.00 0.00 C ATOM 304 O MET A 20 2.071 13.868 5.588 1.00 0.00 O ATOM 305 CB MET A 20 -0.696 11.869 5.974 1.00 0.00 C ATOM 306 CG MET A 20 -1.016 10.367 5.904 1.00 0.00 C ATOM 307 SD MET A 20 0.202 9.508 4.892 1.00 0.00 S ATOM 308 CE MET A 20 -0.224 7.804 5.289 1.00 0.00 C ATOM 0 H MET A 20 -0.365 11.885 8.416 1.00 0.00 H new ATOM 0 HA MET A 20 1.437 11.589 6.181 1.00 0.00 H new ATOM 0 HB2 MET A 20 -1.487 12.368 6.534 1.00 0.00 H new ATOM 0 HB3 MET A 20 -0.716 12.277 4.963 1.00 0.00 H new ATOM 0 HG2 MET A 20 -1.026 9.944 6.909 1.00 0.00 H new ATOM 0 HG3 MET A 20 -2.012 10.221 5.487 1.00 0.00 H new ATOM 0 HE1 MET A 20 0.436 7.128 4.745 1.00 0.00 H new ATOM 0 HE2 MET A 20 -0.108 7.640 6.360 1.00 0.00 H new ATOM 0 HE3 MET A 20 -1.258 7.611 5.002 1.00 0.00 H new ATOM 318 N SER A 21 0.479 14.713 6.906 1.00 0.00 N ATOM 319 CA SER A 21 0.928 16.115 6.703 1.00 0.00 C ATOM 320 C SER A 21 2.390 16.479 7.127 1.00 0.00 C ATOM 321 O SER A 21 3.019 17.280 6.434 1.00 0.00 O ATOM 322 CB SER A 21 -0.070 17.062 7.402 1.00 0.00 C ATOM 323 OG SER A 21 0.126 18.412 6.984 1.00 0.00 O ATOM 0 H SER A 21 -0.331 14.615 7.518 1.00 0.00 H new ATOM 0 HA SER A 21 0.947 16.237 5.620 1.00 0.00 H new ATOM 0 HB2 SER A 21 -1.090 16.752 7.175 1.00 0.00 H new ATOM 0 HB3 SER A 21 0.052 16.991 8.483 1.00 0.00 H new ATOM 0 HG SER A 21 -0.272 19.019 7.642 1.00 0.00 H new ATOM 329 N LYS A 22 2.916 15.903 8.217 1.00 0.00 N ATOM 330 CA LYS A 22 4.358 16.000 8.582 1.00 0.00 C ATOM 331 C LYS A 22 5.348 15.175 7.695 1.00 0.00 C ATOM 332 O LYS A 22 6.510 15.567 7.563 1.00 0.00 O ATOM 333 CB LYS A 22 4.480 15.811 10.117 1.00 0.00 C ATOM 334 CG LYS A 22 5.039 14.485 10.651 1.00 0.00 C ATOM 335 CD LYS A 22 6.567 14.470 10.824 1.00 0.00 C ATOM 336 CE LYS A 22 7.096 14.538 12.268 1.00 0.00 C ATOM 337 NZ LYS A 22 6.775 15.777 13.027 1.00 0.00 N ATOM 0 H LYS A 22 2.364 15.355 8.877 1.00 0.00 H new ATOM 0 HA LYS A 22 4.716 16.999 8.334 1.00 0.00 H new ATOM 0 HB2 LYS A 22 5.109 16.614 10.501 1.00 0.00 H new ATOM 0 HB3 LYS A 22 3.488 15.950 10.548 1.00 0.00 H new ATOM 0 HG2 LYS A 22 4.573 14.268 11.612 1.00 0.00 H new ATOM 0 HG3 LYS A 22 4.754 13.683 9.970 1.00 0.00 H new ATOM 0 HD2 LYS A 22 6.954 13.562 10.362 1.00 0.00 H new ATOM 0 HD3 LYS A 22 6.981 15.312 10.269 1.00 0.00 H new ATOM 0 HE2 LYS A 22 6.698 13.686 12.819 1.00 0.00 H new ATOM 0 HE3 LYS A 22 8.180 14.423 12.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 6.768 15.568 14.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 7.493 16.502 12.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 5.839 16.128 12.739 1.00 0.00 H new ATOM 351 N LEU A 23 4.895 14.067 7.076 1.00 0.00 N ATOM 352 CA LEU A 23 5.534 13.524 5.850 1.00 0.00 C ATOM 353 C LEU A 23 5.498 14.510 4.621 1.00 0.00 C ATOM 354 O LEU A 23 6.539 14.720 3.996 1.00 0.00 O ATOM 355 CB LEU A 23 4.879 12.151 5.530 1.00 0.00 C ATOM 356 CG LEU A 23 5.725 11.285 4.572 1.00 0.00 C ATOM 357 CD1 LEU A 23 6.772 10.462 5.332 1.00 0.00 C ATOM 358 CD2 LEU A 23 4.835 10.346 3.747 1.00 0.00 C ATOM 0 H LEU A 23 4.092 13.528 7.400 1.00 0.00 H new ATOM 0 HA LEU A 23 6.598 13.393 6.045 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.721 11.605 6.460 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.897 12.318 5.088 1.00 0.00 H new ATOM 0 HG LEU A 23 6.243 11.969 3.899 1.00 0.00 H new ATOM 0 HD11 LEU A 23 7.348 9.865 4.625 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.441 11.133 5.871 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.272 9.802 6.041 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.457 9.748 3.081 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.282 9.687 4.417 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.133 10.935 3.157 1.00 0.00 H new ATOM 370 N GLY A 24 4.329 15.099 4.323 1.00 0.00 N ATOM 371 CA GLY A 24 4.178 16.167 3.313 1.00 0.00 C ATOM 372 C GLY A 24 3.107 15.877 2.251 1.00 0.00 C ATOM 373 O GLY A 24 3.442 15.748 1.074 1.00 0.00 O ATOM 0 H GLY A 24 3.452 14.847 4.779 1.00 0.00 H new ATOM 0 HA2 GLY A 24 3.929 17.099 3.820 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.136 16.320 2.816 1.00 0.00 H new ATOM 377 N VAL A 25 1.837 15.778 2.671 1.00 0.00 N ATOM 378 CA VAL A 25 0.766 15.149 1.841 1.00 0.00 C ATOM 379 C VAL A 25 -0.312 16.193 1.434 1.00 0.00 C ATOM 380 O VAL A 25 -0.746 17.033 2.230 1.00 0.00 O ATOM 381 CB VAL A 25 0.185 13.922 2.627 1.00 0.00 C ATOM 382 CG1 VAL A 25 -1.011 13.231 1.949 1.00 0.00 C ATOM 383 CG2 VAL A 25 1.265 12.816 2.786 1.00 0.00 C ATOM 0 H VAL A 25 1.514 16.121 3.576 1.00 0.00 H new ATOM 0 HA VAL A 25 1.176 14.782 0.900 1.00 0.00 H new ATOM 0 HB VAL A 25 -0.140 14.350 3.575 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.345 12.395 2.564 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -1.826 13.945 1.834 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -0.710 12.862 0.968 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.844 11.973 3.334 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.592 12.482 1.801 1.00 0.00 H new ATOM 0 HG23 VAL A 25 2.117 13.216 3.335 1.00 0.00 H new ATOM 393 N SER A 26 -0.782 16.065 0.187 1.00 0.00 N ATOM 394 CA SER A 26 -1.886 16.870 -0.381 1.00 0.00 C ATOM 395 C SER A 26 -3.207 16.894 0.429 1.00 0.00 C ATOM 396 O SER A 26 -3.755 15.853 0.801 1.00 0.00 O ATOM 397 CB SER A 26 -2.174 16.409 -1.847 1.00 0.00 C ATOM 398 OG SER A 26 -2.161 14.985 -2.026 1.00 0.00 O ATOM 0 H SER A 26 -0.402 15.387 -0.474 1.00 0.00 H new ATOM 0 HA SER A 26 -1.524 17.897 -0.342 1.00 0.00 H new ATOM 0 HB2 SER A 26 -3.147 16.794 -2.153 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.432 16.855 -2.509 1.00 0.00 H new ATOM 0 HG SER A 26 -1.321 14.717 -2.453 1.00 0.00 H new ATOM 404 N TRP A 27 -3.759 18.097 0.633 1.00 0.00 N ATOM 405 CA TRP A 27 -4.998 18.300 1.446 1.00 0.00 C ATOM 406 C TRP A 27 -6.380 17.927 0.779 1.00 0.00 C ATOM 407 O TRP A 27 -7.436 18.406 1.193 1.00 0.00 O ATOM 408 CB TRP A 27 -4.948 19.756 1.973 1.00 0.00 C ATOM 409 CG TRP A 27 -3.952 19.907 3.181 1.00 0.00 C ATOM 410 CD1 TRP A 27 -2.545 20.120 3.139 1.00 0.00 C ATOM 411 CD2 TRP A 27 -4.245 19.755 4.533 1.00 0.00 C ATOM 412 NE1 TRP A 27 -1.969 20.100 4.422 1.00 0.00 N ATOM 413 CE2 TRP A 27 -3.034 19.872 5.268 1.00 0.00 C ATOM 414 CE3 TRP A 27 -5.468 19.487 5.210 1.00 0.00 C ATOM 415 CZ2 TRP A 27 -3.049 19.727 6.686 1.00 0.00 C ATOM 416 CZ3 TRP A 27 -5.452 19.334 6.591 1.00 0.00 C ATOM 417 CH2 TRP A 27 -4.260 19.467 7.326 1.00 0.00 C ATOM 0 H TRP A 27 -3.374 18.960 0.249 1.00 0.00 H new ATOM 0 HA TRP A 27 -4.979 17.568 2.253 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -4.645 20.424 1.167 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -5.946 20.064 2.284 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -1.986 20.278 2.229 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -0.988 20.225 4.670 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -6.393 19.404 4.659 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -2.136 19.817 7.256 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -6.372 19.109 7.110 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -4.283 19.366 8.401 1.00 0.00 H new ATOM 428 N ALA A 28 -6.348 16.948 -0.129 1.00 0.00 N ATOM 429 CA ALA A 28 -7.494 16.065 -0.450 1.00 0.00 C ATOM 430 C ALA A 28 -7.199 14.565 -0.100 1.00 0.00 C ATOM 431 O ALA A 28 -8.031 13.907 0.528 1.00 0.00 O ATOM 432 CB ALA A 28 -7.859 16.251 -1.928 1.00 0.00 C ATOM 0 H ALA A 28 -5.514 16.736 -0.677 1.00 0.00 H new ATOM 0 HA ALA A 28 -8.347 16.347 0.168 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -8.702 15.607 -2.179 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -8.132 17.291 -2.107 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -7.003 15.988 -2.550 1.00 0.00 H new ATOM 438 N THR A 29 -6.012 14.049 -0.459 1.00 0.00 N ATOM 439 CA THR A 29 -5.541 12.696 -0.056 1.00 0.00 C ATOM 440 C THR A 29 -5.299 12.460 1.464 1.00 0.00 C ATOM 441 O THR A 29 -5.619 11.382 1.972 1.00 0.00 O ATOM 442 CB THR A 29 -4.248 12.288 -0.833 1.00 0.00 C ATOM 443 OG1 THR A 29 -3.125 13.092 -0.488 1.00 0.00 O ATOM 444 CG2 THR A 29 -4.390 12.326 -2.343 1.00 0.00 C ATOM 0 H THR A 29 -5.343 14.554 -1.040 1.00 0.00 H new ATOM 0 HA THR A 29 -6.389 12.064 -0.321 1.00 0.00 H new ATOM 0 HB THR A 29 -4.088 11.255 -0.523 1.00 0.00 H new ATOM 0 HG1 THR A 29 -2.777 13.530 -1.292 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.448 12.029 -2.805 1.00 0.00 H new ATOM 0 HG22 THR A 29 -5.178 11.639 -2.652 1.00 0.00 H new ATOM 0 HG23 THR A 29 -4.646 13.337 -2.659 1.00 0.00 H new ATOM 452 N ARG A 30 -4.823 13.487 2.179 1.00 0.00 N ATOM 453 CA ARG A 30 -4.762 13.496 3.659 1.00 0.00 C ATOM 454 C ARG A 30 -6.129 13.331 4.419 1.00 0.00 C ATOM 455 O ARG A 30 -6.128 13.023 5.612 1.00 0.00 O ATOM 456 CB ARG A 30 -4.039 14.822 4.028 1.00 0.00 C ATOM 457 CG ARG A 30 -3.280 14.815 5.363 1.00 0.00 C ATOM 458 CD ARG A 30 -3.844 15.704 6.474 1.00 0.00 C ATOM 459 NE ARG A 30 -5.072 15.145 7.085 1.00 0.00 N ATOM 460 CZ ARG A 30 -5.633 15.571 8.210 1.00 0.00 C ATOM 461 NH1 ARG A 30 -5.139 16.528 8.952 1.00 0.00 N ATOM 462 NH2 ARG A 30 -6.726 15.003 8.612 1.00 0.00 N ATOM 0 H ARG A 30 -4.466 14.342 1.752 1.00 0.00 H new ATOM 0 HA ARG A 30 -4.228 12.606 3.993 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -3.335 15.065 3.232 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -4.778 15.623 4.055 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -3.246 13.789 5.731 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -2.251 15.119 5.172 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -3.087 15.837 7.247 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -4.062 16.692 6.068 1.00 0.00 H new ATOM 0 HE ARG A 30 -5.524 14.369 6.601 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -4.274 16.993 8.676 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -5.619 16.810 9.807 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -7.137 14.245 8.067 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -7.175 15.314 9.474 1.00 0.00 H new ATOM 476 N GLN A 31 -7.257 13.538 3.725 1.00 0.00 N ATOM 477 CA GLN A 31 -8.622 13.411 4.275 1.00 0.00 C ATOM 478 C GLN A 31 -9.277 12.019 4.039 1.00 0.00 C ATOM 479 O GLN A 31 -9.963 11.555 4.950 1.00 0.00 O ATOM 480 CB GLN A 31 -9.479 14.563 3.686 1.00 0.00 C ATOM 481 CG GLN A 31 -9.484 15.879 4.497 1.00 0.00 C ATOM 482 CD GLN A 31 -8.151 16.511 4.855 1.00 0.00 C ATOM 483 OE1 GLN A 31 -7.788 16.642 6.018 1.00 0.00 O ATOM 484 NE2 GLN A 31 -7.361 16.916 3.893 1.00 0.00 N ATOM 0 H GLN A 31 -7.250 13.805 2.741 1.00 0.00 H new ATOM 0 HA GLN A 31 -8.563 13.490 5.361 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -9.120 14.780 2.680 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -10.507 14.213 3.590 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -10.059 16.614 3.934 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -10.024 15.695 5.426 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -7.649 16.814 2.920 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.458 17.334 4.117 1.00 0.00 H new ATOM 493 N ILE A 32 -9.055 11.348 2.886 1.00 0.00 N ATOM 494 CA ILE A 32 -9.484 9.920 2.666 1.00 0.00 C ATOM 495 C ILE A 32 -8.833 8.914 3.660 1.00 0.00 C ATOM 496 O ILE A 32 -9.518 7.980 4.075 1.00 0.00 O ATOM 497 CB ILE A 32 -9.318 9.567 1.150 1.00 0.00 C ATOM 498 CG1 ILE A 32 -10.577 9.938 0.307 1.00 0.00 C ATOM 499 CG2 ILE A 32 -9.007 8.089 0.795 1.00 0.00 C ATOM 500 CD1 ILE A 32 -10.891 11.426 0.223 1.00 0.00 C ATOM 0 H ILE A 32 -8.581 11.761 2.083 1.00 0.00 H new ATOM 0 HA ILE A 32 -10.542 9.821 2.907 1.00 0.00 H new ATOM 0 HB ILE A 32 -8.442 10.168 0.905 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -10.442 9.555 -0.704 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -11.441 9.425 0.730 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -8.918 7.986 -0.286 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -8.071 7.791 1.267 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -9.814 7.451 1.155 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -11.783 11.576 -0.385 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -11.064 11.818 1.225 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -10.050 11.950 -0.231 1.00 0.00 H new ATOM 512 N GLY A 33 -7.571 9.138 4.077 1.00 0.00 N ATOM 513 CA GLY A 33 -6.987 8.447 5.257 1.00 0.00 C ATOM 514 C GLY A 33 -7.848 8.381 6.543 1.00 0.00 C ATOM 515 O GLY A 33 -8.155 7.284 7.014 1.00 0.00 O ATOM 0 H GLY A 33 -6.933 9.789 3.619 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.742 7.426 4.963 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -6.048 8.941 5.506 1.00 0.00 H new ATOM 519 N ASN A 34 -8.278 9.539 7.054 1.00 0.00 N ATOM 520 CA ASN A 34 -9.264 9.629 8.164 1.00 0.00 C ATOM 521 C ASN A 34 -10.786 9.679 7.790 1.00 0.00 C ATOM 522 O ASN A 34 -11.581 10.279 8.519 1.00 0.00 O ATOM 523 CB ASN A 34 -8.809 10.811 9.061 1.00 0.00 C ATOM 524 CG ASN A 34 -8.936 12.212 8.473 1.00 0.00 C ATOM 525 OD1 ASN A 34 -8.047 12.713 7.793 1.00 0.00 O ATOM 526 ND2 ASN A 34 -10.040 12.888 8.686 1.00 0.00 N ATOM 0 H ASN A 34 -7.959 10.448 6.718 1.00 0.00 H new ATOM 0 HA ASN A 34 -9.245 8.676 8.693 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -9.386 10.777 9.985 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -7.765 10.650 9.331 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -10.152 13.820 8.288 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -10.786 12.481 9.250 1.00 0.00 H new ATOM 533 N THR A 35 -11.189 9.035 6.692 1.00 0.00 N ATOM 534 CA THR A 35 -12.574 9.116 6.153 1.00 0.00 C ATOM 535 C THR A 35 -12.960 7.747 5.541 1.00 0.00 C ATOM 536 O THR A 35 -13.885 7.102 6.041 1.00 0.00 O ATOM 537 CB THR A 35 -12.722 10.305 5.165 1.00 0.00 C ATOM 538 OG1 THR A 35 -12.347 11.540 5.777 1.00 0.00 O ATOM 539 CG2 THR A 35 -14.116 10.521 4.601 1.00 0.00 C ATOM 0 H THR A 35 -10.572 8.438 6.141 1.00 0.00 H new ATOM 0 HA THR A 35 -13.279 9.324 6.958 1.00 0.00 H new ATOM 0 HB THR A 35 -12.061 10.020 4.346 1.00 0.00 H new ATOM 0 HG1 THR A 35 -11.581 11.922 5.300 1.00 0.00 H new ATOM 0 HG21 THR A 35 -14.106 11.375 3.924 1.00 0.00 H new ATOM 0 HG22 THR A 35 -14.430 9.630 4.057 1.00 0.00 H new ATOM 0 HG23 THR A 35 -14.813 10.713 5.417 1.00 0.00 H new ATOM 547 N VAL A 36 -12.282 7.313 4.468 1.00 0.00 N ATOM 548 CA VAL A 36 -12.637 6.081 3.741 1.00 0.00 C ATOM 549 C VAL A 36 -11.587 5.007 4.133 1.00 0.00 C ATOM 550 O VAL A 36 -10.434 5.039 3.693 1.00 0.00 O ATOM 551 CB VAL A 36 -12.716 6.319 2.201 1.00 0.00 C ATOM 552 CG1 VAL A 36 -13.339 5.078 1.523 1.00 0.00 C ATOM 553 CG2 VAL A 36 -13.545 7.567 1.826 1.00 0.00 C ATOM 0 H VAL A 36 -11.476 7.802 4.080 1.00 0.00 H new ATOM 0 HA VAL A 36 -13.634 5.740 4.019 1.00 0.00 H new ATOM 0 HB VAL A 36 -11.698 6.488 1.851 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -13.396 5.241 0.447 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -12.720 4.204 1.725 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -14.341 4.912 1.918 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -13.563 7.680 0.742 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -14.564 7.452 2.196 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -13.094 8.452 2.275 1.00 0.00 H new ATOM 563 N THR A 37 -12.033 4.080 4.980 1.00 0.00 N ATOM 564 CA THR A 37 -11.172 3.142 5.736 1.00 0.00 C ATOM 565 C THR A 37 -10.149 2.318 4.880 1.00 0.00 C ATOM 566 O THR A 37 -10.638 1.455 4.140 1.00 0.00 O ATOM 567 CB THR A 37 -12.116 2.161 6.531 1.00 0.00 C ATOM 568 OG1 THR A 37 -12.754 1.239 5.645 1.00 0.00 O ATOM 569 CG2 THR A 37 -13.209 2.830 7.368 1.00 0.00 C ATOM 0 H THR A 37 -13.026 3.949 5.171 1.00 0.00 H new ATOM 0 HA THR A 37 -10.547 3.751 6.390 1.00 0.00 H new ATOM 0 HB THR A 37 -11.440 1.663 7.226 1.00 0.00 H new ATOM 0 HG1 THR A 37 -12.262 1.205 4.798 1.00 0.00 H new ATOM 0 HG21 THR A 37 -13.800 2.066 7.873 1.00 0.00 H new ATOM 0 HG22 THR A 37 -12.750 3.483 8.110 1.00 0.00 H new ATOM 0 HG23 THR A 37 -13.856 3.419 6.718 1.00 0.00 H new ATOM 577 N PRO A 38 -8.794 2.507 4.930 1.00 0.00 N ATOM 578 CA PRO A 38 -7.842 1.841 3.970 1.00 0.00 C ATOM 579 C PRO A 38 -7.896 0.305 3.913 1.00 0.00 C ATOM 580 O PRO A 38 -7.491 -0.386 4.852 1.00 0.00 O ATOM 581 CB PRO A 38 -6.451 2.424 4.340 1.00 0.00 C ATOM 582 CG PRO A 38 -6.660 3.239 5.630 1.00 0.00 C ATOM 583 CD PRO A 38 -8.136 3.655 5.595 1.00 0.00 C ATOM 0 HA PRO A 38 -8.123 2.064 2.941 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -5.723 1.628 4.496 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -6.067 3.055 3.538 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -6.438 2.643 6.515 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -6.004 4.109 5.659 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -8.532 3.821 6.597 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -8.281 4.581 5.038 1.00 0.00 H new ATOM 591 N THR A 39 -8.422 -0.223 2.795 1.00 0.00 N ATOM 592 CA THR A 39 -8.785 -1.664 2.678 1.00 0.00 C ATOM 593 C THR A 39 -7.562 -2.534 2.251 1.00 0.00 C ATOM 594 O THR A 39 -7.493 -3.087 1.145 1.00 0.00 O ATOM 595 CB THR A 39 -9.961 -1.772 1.660 1.00 0.00 C ATOM 596 OG1 THR A 39 -10.995 -0.802 1.868 1.00 0.00 O ATOM 597 CG2 THR A 39 -10.641 -3.135 1.618 1.00 0.00 C ATOM 0 H THR A 39 -8.609 0.320 1.952 1.00 0.00 H new ATOM 0 HA THR A 39 -9.097 -2.053 3.647 1.00 0.00 H new ATOM 0 HB THR A 39 -9.453 -1.590 0.713 1.00 0.00 H new ATOM 0 HG1 THR A 39 -10.939 -0.111 1.176 1.00 0.00 H new ATOM 0 HG21 THR A 39 -11.446 -3.118 0.883 1.00 0.00 H new ATOM 0 HG22 THR A 39 -9.912 -3.897 1.340 1.00 0.00 H new ATOM 0 HG23 THR A 39 -11.052 -3.367 2.601 1.00 0.00 H new ATOM 605 N VAL A 40 -6.591 -2.653 3.161 1.00 0.00 N ATOM 606 CA VAL A 40 -5.255 -3.219 2.848 1.00 0.00 C ATOM 607 C VAL A 40 -5.331 -4.773 2.866 1.00 0.00 C ATOM 608 O VAL A 40 -5.392 -5.424 3.914 1.00 0.00 O ATOM 609 CB VAL A 40 -4.110 -2.613 3.714 1.00 0.00 C ATOM 610 CG1 VAL A 40 -3.849 -1.129 3.359 1.00 0.00 C ATOM 611 CG2 VAL A 40 -4.281 -2.723 5.231 1.00 0.00 C ATOM 0 H VAL A 40 -6.698 -2.364 4.133 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.977 -2.922 1.837 1.00 0.00 H new ATOM 0 HB VAL A 40 -3.257 -3.240 3.455 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -3.044 -0.742 3.984 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -3.564 -1.051 2.310 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -4.755 -0.548 3.533 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.424 -2.268 5.728 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -5.192 -2.206 5.533 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.349 -3.773 5.514 1.00 0.00 H new ATOM 621 N THR A 41 -5.451 -5.335 1.658 1.00 0.00 N ATOM 622 CA THR A 41 -5.986 -6.712 1.465 1.00 0.00 C ATOM 623 C THR A 41 -4.829 -7.698 1.256 1.00 0.00 C ATOM 624 O THR A 41 -4.395 -7.947 0.131 1.00 0.00 O ATOM 625 CB THR A 41 -7.059 -6.642 0.361 1.00 0.00 C ATOM 626 OG1 THR A 41 -8.120 -5.770 0.760 1.00 0.00 O ATOM 627 CG2 THR A 41 -7.708 -7.959 -0.040 1.00 0.00 C ATOM 0 H THR A 41 -5.188 -4.867 0.791 1.00 0.00 H new ATOM 0 HA THR A 41 -6.493 -7.110 2.344 1.00 0.00 H new ATOM 0 HB THR A 41 -6.501 -6.286 -0.505 1.00 0.00 H new ATOM 0 HG1 THR A 41 -7.784 -4.851 0.817 1.00 0.00 H new ATOM 0 HG21 THR A 41 -8.444 -7.778 -0.823 1.00 0.00 H new ATOM 0 HG22 THR A 41 -6.944 -8.643 -0.410 1.00 0.00 H new ATOM 0 HG23 THR A 41 -8.201 -8.400 0.826 1.00 0.00 H new ATOM 635 N PHE A 42 -4.313 -8.225 2.374 1.00 0.00 N ATOM 636 CA PHE A 42 -3.029 -8.953 2.406 1.00 0.00 C ATOM 637 C PHE A 42 -3.228 -10.454 2.133 1.00 0.00 C ATOM 638 O PHE A 42 -3.751 -11.195 2.970 1.00 0.00 O ATOM 639 CB PHE A 42 -2.390 -8.685 3.787 1.00 0.00 C ATOM 640 CG PHE A 42 -0.972 -9.247 3.936 1.00 0.00 C ATOM 641 CD1 PHE A 42 0.132 -8.661 3.299 1.00 0.00 C ATOM 642 CD2 PHE A 42 -0.774 -10.410 4.686 1.00 0.00 C ATOM 643 CE1 PHE A 42 1.404 -9.210 3.448 1.00 0.00 C ATOM 644 CE2 PHE A 42 0.497 -10.951 4.854 1.00 0.00 C ATOM 645 CZ PHE A 42 1.588 -10.334 4.254 1.00 0.00 C ATOM 0 H PHE A 42 -4.770 -8.161 3.283 1.00 0.00 H new ATOM 0 HA PHE A 42 -2.364 -8.602 1.617 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -2.364 -7.609 3.961 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -3.025 -9.118 4.560 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -0.005 -7.780 2.690 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -1.623 -10.897 5.143 1.00 0.00 H new ATOM 0 HE1 PHE A 42 2.247 -8.766 2.940 1.00 0.00 H new ATOM 0 HE2 PHE A 42 0.634 -11.844 5.446 1.00 0.00 H new ATOM 0 HZ PHE A 42 2.582 -10.726 4.412 1.00 0.00 H new ATOM 655 N THR A 43 -2.814 -10.873 0.939 1.00 0.00 N ATOM 656 CA THR A 43 -3.180 -12.201 0.404 1.00 0.00 C ATOM 657 C THR A 43 -1.968 -12.819 -0.351 1.00 0.00 C ATOM 658 O THR A 43 -1.289 -12.127 -1.114 1.00 0.00 O ATOM 659 CB THR A 43 -4.410 -12.094 -0.558 1.00 0.00 C ATOM 660 OG1 THR A 43 -4.087 -11.373 -1.743 1.00 0.00 O ATOM 661 CG2 THR A 43 -5.637 -11.404 0.040 1.00 0.00 C ATOM 0 H THR A 43 -2.225 -10.319 0.317 1.00 0.00 H new ATOM 0 HA THR A 43 -3.453 -12.846 1.239 1.00 0.00 H new ATOM 0 HB THR A 43 -4.657 -13.136 -0.761 1.00 0.00 H new ATOM 0 HG1 THR A 43 -4.511 -11.805 -2.514 1.00 0.00 H new ATOM 0 HG21 THR A 43 -6.436 -11.378 -0.700 1.00 0.00 H new ATOM 0 HG22 THR A 43 -5.973 -11.956 0.918 1.00 0.00 H new ATOM 0 HG23 THR A 43 -5.377 -10.386 0.330 1.00 0.00 H new ATOM 669 N MET A 44 -1.715 -14.121 -0.182 1.00 0.00 N ATOM 670 CA MET A 44 -0.700 -14.845 -1.003 1.00 0.00 C ATOM 671 C MET A 44 -1.209 -15.104 -2.454 1.00 0.00 C ATOM 672 O MET A 44 -2.012 -16.008 -2.702 1.00 0.00 O ATOM 673 CB MET A 44 -0.171 -16.087 -0.255 1.00 0.00 C ATOM 674 CG MET A 44 -1.155 -17.198 0.119 1.00 0.00 C ATOM 675 SD MET A 44 -0.252 -18.466 1.032 1.00 0.00 S ATOM 676 CE MET A 44 -1.609 -19.577 1.437 1.00 0.00 C ATOM 0 H MET A 44 -2.188 -14.705 0.508 1.00 0.00 H new ATOM 0 HA MET A 44 0.173 -14.206 -1.140 1.00 0.00 H new ATOM 0 HB2 MET A 44 0.612 -16.533 -0.868 1.00 0.00 H new ATOM 0 HB3 MET A 44 0.302 -15.742 0.664 1.00 0.00 H new ATOM 0 HG2 MET A 44 -1.967 -16.798 0.726 1.00 0.00 H new ATOM 0 HG3 MET A 44 -1.607 -17.624 -0.777 1.00 0.00 H new ATOM 0 HE1 MET A 44 -1.228 -20.425 2.006 1.00 0.00 H new ATOM 0 HE2 MET A 44 -2.350 -19.044 2.032 1.00 0.00 H new ATOM 0 HE3 MET A 44 -2.072 -19.936 0.518 1.00 0.00 H new ATOM 686 N ASP A 45 -0.795 -14.240 -3.392 1.00 0.00 N ATOM 687 CA ASP A 45 -1.433 -14.125 -4.732 1.00 0.00 C ATOM 688 C ASP A 45 -0.553 -14.846 -5.784 1.00 0.00 C ATOM 689 O ASP A 45 0.421 -14.301 -6.317 1.00 0.00 O ATOM 690 CB ASP A 45 -1.653 -12.618 -4.977 1.00 0.00 C ATOM 691 CG ASP A 45 -2.568 -12.236 -6.137 1.00 0.00 C ATOM 692 OD1 ASP A 45 -3.286 -13.101 -6.686 1.00 0.00 O ATOM 693 OD2 ASP A 45 -2.593 -11.035 -6.484 1.00 0.00 O ATOM 0 H ASP A 45 -0.013 -13.600 -3.254 1.00 0.00 H new ATOM 0 HA ASP A 45 -2.402 -14.618 -4.803 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -2.060 -12.181 -4.065 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -0.680 -12.156 -5.145 1.00 0.00 H new ATOM 698 N GLY A 46 -0.862 -16.135 -5.997 1.00 0.00 N ATOM 699 CA GLY A 46 0.008 -17.043 -6.773 1.00 0.00 C ATOM 700 C GLY A 46 1.142 -17.673 -5.947 1.00 0.00 C ATOM 701 O GLY A 46 1.069 -18.852 -5.597 1.00 0.00 O ATOM 0 H GLY A 46 -1.711 -16.576 -5.642 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -0.602 -17.838 -7.201 1.00 0.00 H new ATOM 0 HA3 GLY A 46 0.442 -16.491 -7.607 1.00 0.00 H new ATOM 705 N ASP A 47 2.161 -16.862 -5.644 1.00 0.00 N ATOM 706 CA ASP A 47 3.199 -17.196 -4.637 1.00 0.00 C ATOM 707 C ASP A 47 3.185 -16.128 -3.497 1.00 0.00 C ATOM 708 O ASP A 47 2.935 -16.466 -2.336 1.00 0.00 O ATOM 709 CB ASP A 47 4.545 -17.349 -5.380 1.00 0.00 C ATOM 710 CG ASP A 47 5.727 -17.719 -4.493 1.00 0.00 C ATOM 711 OD1 ASP A 47 5.946 -18.924 -4.248 1.00 0.00 O ATOM 712 OD2 ASP A 47 6.441 -16.800 -4.035 1.00 0.00 O ATOM 0 H ASP A 47 2.298 -15.953 -6.085 1.00 0.00 H new ATOM 0 HA ASP A 47 3.008 -18.144 -4.134 1.00 0.00 H new ATOM 0 HB2 ASP A 47 4.434 -18.112 -6.150 1.00 0.00 H new ATOM 0 HB3 ASP A 47 4.771 -16.412 -5.890 1.00 0.00 H new ATOM 717 N LYS A 48 3.485 -14.859 -3.824 1.00 0.00 N ATOM 718 CA LYS A 48 3.949 -13.870 -2.829 1.00 0.00 C ATOM 719 C LYS A 48 2.841 -12.922 -2.299 1.00 0.00 C ATOM 720 O LYS A 48 1.745 -12.751 -2.849 1.00 0.00 O ATOM 721 CB LYS A 48 5.249 -13.227 -3.363 1.00 0.00 C ATOM 722 CG LYS A 48 5.152 -12.177 -4.473 1.00 0.00 C ATOM 723 CD LYS A 48 6.562 -11.753 -4.931 1.00 0.00 C ATOM 724 CE LYS A 48 6.589 -10.639 -5.986 1.00 0.00 C ATOM 725 NZ LYS A 48 6.162 -11.113 -7.319 1.00 0.00 N ATOM 0 H LYS A 48 3.415 -14.491 -4.773 1.00 0.00 H new ATOM 0 HA LYS A 48 4.208 -14.365 -1.893 1.00 0.00 H new ATOM 0 HB2 LYS A 48 5.761 -12.767 -2.518 1.00 0.00 H new ATOM 0 HB3 LYS A 48 5.890 -14.031 -3.725 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.594 -12.581 -5.318 1.00 0.00 H new ATOM 0 HG3 LYS A 48 4.602 -11.307 -4.114 1.00 0.00 H new ATOM 0 HD2 LYS A 48 7.127 -11.423 -4.060 1.00 0.00 H new ATOM 0 HD3 LYS A 48 7.076 -12.626 -5.332 1.00 0.00 H new ATOM 0 HE2 LYS A 48 5.938 -9.825 -5.667 1.00 0.00 H new ATOM 0 HE3 LYS A 48 7.598 -10.232 -6.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 6.198 -10.324 -7.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 6.798 -11.872 -7.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 5.190 -11.477 -7.263 1.00 0.00 H new ATOM 738 N MET A 49 3.137 -12.357 -1.131 1.00 0.00 N ATOM 739 CA MET A 49 2.129 -11.775 -0.215 1.00 0.00 C ATOM 740 C MET A 49 1.780 -10.308 -0.565 1.00 0.00 C ATOM 741 O MET A 49 2.605 -9.399 -0.475 1.00 0.00 O ATOM 742 CB MET A 49 2.612 -12.035 1.230 1.00 0.00 C ATOM 743 CG MET A 49 3.913 -11.365 1.691 1.00 0.00 C ATOM 744 SD MET A 49 4.421 -12.104 3.255 1.00 0.00 S ATOM 745 CE MET A 49 5.438 -10.770 3.903 1.00 0.00 C ATOM 0 H MET A 49 4.092 -12.284 -0.779 1.00 0.00 H new ATOM 0 HA MET A 49 1.161 -12.263 -0.329 1.00 0.00 H new ATOM 0 HB2 MET A 49 1.818 -11.722 1.908 1.00 0.00 H new ATOM 0 HB3 MET A 49 2.730 -13.112 1.353 1.00 0.00 H new ATOM 0 HG2 MET A 49 4.692 -11.496 0.940 1.00 0.00 H new ATOM 0 HG3 MET A 49 3.764 -10.292 1.811 1.00 0.00 H new ATOM 0 HE1 MET A 49 5.838 -11.057 4.875 1.00 0.00 H new ATOM 0 HE2 MET A 49 6.261 -10.573 3.216 1.00 0.00 H new ATOM 0 HE3 MET A 49 4.832 -9.870 4.012 1.00 0.00 H new ATOM 755 N THR A 50 0.559 -10.095 -1.049 1.00 0.00 N ATOM 756 CA THR A 50 0.213 -8.937 -1.917 1.00 0.00 C ATOM 757 C THR A 50 -0.893 -8.122 -1.214 1.00 0.00 C ATOM 758 O THR A 50 -1.938 -8.676 -0.853 1.00 0.00 O ATOM 759 CB THR A 50 -0.269 -9.530 -3.274 1.00 0.00 C ATOM 760 OG1 THR A 50 0.788 -10.272 -3.872 1.00 0.00 O ATOM 761 CG2 THR A 50 -0.709 -8.512 -4.318 1.00 0.00 C ATOM 0 H THR A 50 -0.230 -10.713 -0.859 1.00 0.00 H new ATOM 0 HA THR A 50 1.055 -8.268 -2.095 1.00 0.00 H new ATOM 0 HB THR A 50 -1.138 -10.131 -3.007 1.00 0.00 H new ATOM 0 HG1 THR A 50 0.939 -11.095 -3.362 1.00 0.00 H new ATOM 0 HG21 THR A 50 -1.024 -9.032 -5.223 1.00 0.00 H new ATOM 0 HG22 THR A 50 -1.541 -7.926 -3.927 1.00 0.00 H new ATOM 0 HG23 THR A 50 0.123 -7.848 -4.552 1.00 0.00 H new ATOM 769 N MET A 51 -0.679 -6.807 -1.063 1.00 0.00 N ATOM 770 CA MET A 51 -1.733 -5.889 -0.571 1.00 0.00 C ATOM 771 C MET A 51 -2.624 -5.416 -1.756 1.00 0.00 C ATOM 772 O MET A 51 -2.222 -4.570 -2.564 1.00 0.00 O ATOM 773 CB MET A 51 -1.133 -4.661 0.148 1.00 0.00 C ATOM 774 CG MET A 51 -0.520 -4.933 1.523 1.00 0.00 C ATOM 775 SD MET A 51 0.636 -3.604 1.915 1.00 0.00 S ATOM 776 CE MET A 51 -0.435 -2.389 2.694 1.00 0.00 C ATOM 0 H MET A 51 0.209 -6.350 -1.272 1.00 0.00 H new ATOM 0 HA MET A 51 -2.338 -6.439 0.150 1.00 0.00 H new ATOM 0 HB2 MET A 51 -0.365 -4.227 -0.493 1.00 0.00 H new ATOM 0 HB3 MET A 51 -1.916 -3.911 0.261 1.00 0.00 H new ATOM 0 HG2 MET A 51 -1.302 -4.989 2.281 1.00 0.00 H new ATOM 0 HG3 MET A 51 -0.005 -5.894 1.524 1.00 0.00 H new ATOM 0 HE1 MET A 51 0.153 -1.518 2.984 1.00 0.00 H new ATOM 0 HE2 MET A 51 -1.211 -2.085 1.992 1.00 0.00 H new ATOM 0 HE3 MET A 51 -0.897 -2.826 3.579 1.00 0.00 H new ATOM 786 N LEU A 52 -3.851 -5.941 -1.815 1.00 0.00 N ATOM 787 CA LEU A 52 -4.842 -5.568 -2.861 1.00 0.00 C ATOM 788 C LEU A 52 -5.703 -4.346 -2.365 1.00 0.00 C ATOM 789 O LEU A 52 -6.903 -4.441 -2.106 1.00 0.00 O ATOM 790 CB LEU A 52 -5.684 -6.815 -3.265 1.00 0.00 C ATOM 791 CG LEU A 52 -4.890 -8.093 -3.637 1.00 0.00 C ATOM 792 CD1 LEU A 52 -5.779 -9.339 -3.678 1.00 0.00 C ATOM 793 CD2 LEU A 52 -4.166 -7.947 -4.973 1.00 0.00 C ATOM 0 H LEU A 52 -4.196 -6.633 -1.150 1.00 0.00 H new ATOM 0 HA LEU A 52 -4.337 -5.238 -3.769 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -6.353 -7.057 -2.439 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -6.311 -6.543 -4.114 1.00 0.00 H new ATOM 0 HG LEU A 52 -4.151 -8.220 -2.846 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -5.176 -10.208 -3.943 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -6.231 -9.496 -2.699 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.564 -9.202 -4.422 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -3.622 -8.865 -5.195 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -4.893 -7.757 -5.762 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.464 -7.115 -4.918 1.00 0.00 H new ATOM 805 N THR A 53 -5.020 -3.208 -2.196 1.00 0.00 N ATOM 806 CA THR A 53 -5.520 -2.017 -1.462 1.00 0.00 C ATOM 807 C THR A 53 -6.682 -1.309 -2.188 1.00 0.00 C ATOM 808 O THR A 53 -6.532 -0.852 -3.317 1.00 0.00 O ATOM 809 CB THR A 53 -4.282 -1.090 -1.261 1.00 0.00 C ATOM 810 OG1 THR A 53 -3.313 -1.728 -0.431 1.00 0.00 O ATOM 811 CG2 THR A 53 -4.602 0.236 -0.585 1.00 0.00 C ATOM 0 H THR A 53 -4.081 -3.076 -2.571 1.00 0.00 H new ATOM 0 HA THR A 53 -5.952 -2.306 -0.504 1.00 0.00 H new ATOM 0 HB THR A 53 -3.917 -0.898 -2.270 1.00 0.00 H new ATOM 0 HG1 THR A 53 -2.541 -1.136 -0.315 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.689 0.822 -0.482 1.00 0.00 H new ATOM 0 HG22 THR A 53 -5.321 0.788 -1.190 1.00 0.00 H new ATOM 0 HG23 THR A 53 -5.026 0.048 0.402 1.00 0.00 H new ATOM 819 N GLU A 54 -7.832 -1.214 -1.517 1.00 0.00 N ATOM 820 CA GLU A 54 -9.121 -0.895 -2.192 1.00 0.00 C ATOM 821 C GLU A 54 -9.782 0.313 -1.467 1.00 0.00 C ATOM 822 O GLU A 54 -10.611 0.188 -0.557 1.00 0.00 O ATOM 823 CB GLU A 54 -9.887 -2.235 -2.190 1.00 0.00 C ATOM 824 CG GLU A 54 -11.107 -2.375 -3.099 1.00 0.00 C ATOM 825 CD GLU A 54 -12.364 -1.653 -2.666 1.00 0.00 C ATOM 826 OE1 GLU A 54 -12.980 -2.061 -1.657 1.00 0.00 O ATOM 827 OE2 GLU A 54 -12.753 -0.680 -3.347 1.00 0.00 O ATOM 0 H GLU A 54 -7.911 -1.351 -0.509 1.00 0.00 H new ATOM 0 HA GLU A 54 -9.059 -0.552 -3.225 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -9.181 -3.021 -2.458 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -10.210 -2.431 -1.168 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -10.834 -2.017 -4.092 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -11.340 -3.436 -3.195 1.00 0.00 H new ATOM 834 N SER A 55 -9.309 1.510 -1.828 1.00 0.00 N ATOM 835 CA SER A 55 -9.684 2.786 -1.161 1.00 0.00 C ATOM 836 C SER A 55 -10.199 3.835 -2.197 1.00 0.00 C ATOM 837 O SER A 55 -10.082 3.642 -3.411 1.00 0.00 O ATOM 838 CB SER A 55 -8.411 3.299 -0.428 1.00 0.00 C ATOM 839 OG SER A 55 -7.899 2.319 0.479 1.00 0.00 O ATOM 0 H SER A 55 -8.649 1.634 -2.596 1.00 0.00 H new ATOM 0 HA SER A 55 -10.500 2.628 -0.455 1.00 0.00 H new ATOM 0 HB2 SER A 55 -7.645 3.554 -1.161 1.00 0.00 H new ATOM 0 HB3 SER A 55 -8.647 4.213 0.117 1.00 0.00 H new ATOM 0 HG SER A 55 -7.099 2.670 0.923 1.00 0.00 H new ATOM 845 N THR A 56 -10.734 4.982 -1.740 1.00 0.00 N ATOM 846 CA THR A 56 -11.168 6.081 -2.672 1.00 0.00 C ATOM 847 C THR A 56 -10.031 6.710 -3.537 1.00 0.00 C ATOM 848 O THR A 56 -10.242 6.900 -4.736 1.00 0.00 O ATOM 849 CB THR A 56 -12.029 7.118 -1.906 1.00 0.00 C ATOM 850 OG1 THR A 56 -13.256 6.513 -1.525 1.00 0.00 O ATOM 851 CG2 THR A 56 -12.456 8.359 -2.680 1.00 0.00 C ATOM 0 H THR A 56 -10.881 5.186 -0.752 1.00 0.00 H new ATOM 0 HA THR A 56 -11.796 5.616 -3.433 1.00 0.00 H new ATOM 0 HB THR A 56 -11.375 7.429 -1.091 1.00 0.00 H new ATOM 0 HG1 THR A 56 -13.960 7.194 -1.490 1.00 0.00 H new ATOM 0 HG21 THR A 56 -13.052 9.004 -2.034 1.00 0.00 H new ATOM 0 HG22 THR A 56 -11.572 8.900 -3.016 1.00 0.00 H new ATOM 0 HG23 THR A 56 -13.050 8.062 -3.544 1.00 0.00 H new ATOM 859 N PHE A 57 -8.864 7.021 -2.953 1.00 0.00 N ATOM 860 CA PHE A 57 -7.689 7.491 -3.728 1.00 0.00 C ATOM 861 C PHE A 57 -6.734 6.365 -4.213 1.00 0.00 C ATOM 862 O PHE A 57 -6.304 6.413 -5.367 1.00 0.00 O ATOM 863 CB PHE A 57 -6.939 8.577 -2.919 1.00 0.00 C ATOM 864 CG PHE A 57 -7.346 9.999 -3.341 1.00 0.00 C ATOM 865 CD1 PHE A 57 -6.962 10.540 -4.586 1.00 0.00 C ATOM 866 CD2 PHE A 57 -8.163 10.759 -2.507 1.00 0.00 C ATOM 867 CE1 PHE A 57 -7.382 11.815 -4.967 1.00 0.00 C ATOM 868 CE2 PHE A 57 -8.602 12.022 -2.899 1.00 0.00 C ATOM 869 CZ PHE A 57 -8.204 12.555 -4.122 1.00 0.00 C ATOM 0 H PHE A 57 -8.701 6.958 -1.948 1.00 0.00 H new ATOM 0 HA PHE A 57 -8.077 7.920 -4.652 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -7.143 8.442 -1.857 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -5.865 8.453 -3.055 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -6.337 9.962 -5.251 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -8.459 10.365 -1.546 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -7.070 12.227 -5.915 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -9.254 12.590 -2.251 1.00 0.00 H new ATOM 0 HZ PHE A 57 -8.533 13.541 -4.415 1.00 0.00 H new ATOM 879 N LYS A 58 -6.390 5.392 -3.352 1.00 0.00 N ATOM 880 CA LYS A 58 -5.582 4.223 -3.773 1.00 0.00 C ATOM 881 C LYS A 58 -6.465 2.941 -3.869 1.00 0.00 C ATOM 882 O LYS A 58 -6.496 2.112 -2.958 1.00 0.00 O ATOM 883 CB LYS A 58 -4.362 4.013 -2.837 1.00 0.00 C ATOM 884 CG LYS A 58 -3.281 5.105 -2.955 1.00 0.00 C ATOM 885 CD LYS A 58 -1.892 4.665 -2.461 1.00 0.00 C ATOM 886 CE LYS A 58 -1.811 4.388 -0.959 1.00 0.00 C ATOM 887 NZ LYS A 58 -0.420 3.962 -0.626 1.00 0.00 N ATOM 0 H LYS A 58 -6.654 5.387 -2.367 1.00 0.00 H new ATOM 0 HA LYS A 58 -5.190 4.426 -4.769 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.712 3.974 -1.805 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.911 3.046 -3.058 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -3.204 5.414 -3.997 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -3.598 5.979 -2.386 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.597 3.765 -3.000 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.168 5.440 -2.714 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -2.078 5.282 -0.395 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -2.522 3.610 -0.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -0.409 3.516 0.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.086 3.280 -1.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 0.206 4.793 -0.622 1.00 0.00 H new ATOM 901 N ASN A 59 -7.141 2.774 -5.011 1.00 0.00 N ATOM 902 CA ASN A 59 -7.770 1.478 -5.397 1.00 0.00 C ATOM 903 C ASN A 59 -6.809 0.729 -6.382 1.00 0.00 C ATOM 904 O ASN A 59 -6.894 0.879 -7.604 1.00 0.00 O ATOM 905 CB ASN A 59 -9.172 1.779 -5.978 1.00 0.00 C ATOM 906 CG ASN A 59 -10.225 0.742 -5.606 1.00 0.00 C ATOM 907 OD1 ASN A 59 -10.192 -0.400 -6.048 1.00 0.00 O ATOM 908 ND2 ASN A 59 -11.163 1.108 -4.765 1.00 0.00 N ATOM 0 H ASN A 59 -7.274 3.517 -5.697 1.00 0.00 H new ATOM 0 HA ASN A 59 -7.917 0.811 -4.548 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -9.499 2.758 -5.627 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -9.101 1.838 -7.064 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -11.875 0.439 -4.472 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -11.180 2.062 -4.404 1.00 0.00 H new ATOM 915 N LEU A 60 -5.829 0.006 -5.822 1.00 0.00 N ATOM 916 CA LEU A 60 -4.653 -0.515 -6.565 1.00 0.00 C ATOM 917 C LEU A 60 -3.946 -1.677 -5.806 1.00 0.00 C ATOM 918 O LEU A 60 -3.888 -1.683 -4.575 1.00 0.00 O ATOM 919 CB LEU A 60 -3.659 0.633 -6.926 1.00 0.00 C ATOM 920 CG LEU A 60 -3.084 1.449 -5.742 1.00 0.00 C ATOM 921 CD1 LEU A 60 -1.763 0.881 -5.206 1.00 0.00 C ATOM 922 CD2 LEU A 60 -2.837 2.906 -6.170 1.00 0.00 C ATOM 0 H LEU A 60 -5.822 -0.241 -4.832 1.00 0.00 H new ATOM 0 HA LEU A 60 -5.023 -0.936 -7.500 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.825 0.201 -7.479 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -4.165 1.323 -7.601 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.828 1.392 -4.948 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.412 1.497 -4.378 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -1.921 -0.140 -4.858 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.017 0.882 -6.001 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.433 3.469 -5.329 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.126 2.927 -6.996 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.777 3.356 -6.489 1.00 0.00 H new ATOM 934 N SER A 61 -3.351 -2.630 -6.539 1.00 0.00 N ATOM 935 CA SER A 61 -2.540 -3.712 -5.926 1.00 0.00 C ATOM 936 C SER A 61 -1.011 -3.432 -5.889 1.00 0.00 C ATOM 937 O SER A 61 -0.436 -2.898 -6.843 1.00 0.00 O ATOM 938 CB SER A 61 -2.814 -5.049 -6.667 1.00 0.00 C ATOM 939 OG SER A 61 -2.433 -5.037 -8.043 1.00 0.00 O ATOM 0 H SER A 61 -3.411 -2.680 -7.556 1.00 0.00 H new ATOM 0 HA SER A 61 -2.854 -3.770 -4.884 1.00 0.00 H new ATOM 0 HB2 SER A 61 -2.278 -5.851 -6.159 1.00 0.00 H new ATOM 0 HB3 SER A 61 -3.877 -5.281 -6.596 1.00 0.00 H new ATOM 0 HG SER A 61 -2.632 -5.908 -8.445 1.00 0.00 H new ATOM 945 N VAL A 62 -0.357 -3.863 -4.803 1.00 0.00 N ATOM 946 CA VAL A 62 1.117 -3.859 -4.678 1.00 0.00 C ATOM 947 C VAL A 62 1.592 -5.290 -4.244 1.00 0.00 C ATOM 948 O VAL A 62 1.145 -5.836 -3.229 1.00 0.00 O ATOM 949 CB VAL A 62 1.666 -2.751 -3.747 1.00 0.00 C ATOM 950 CG1 VAL A 62 1.647 -1.368 -4.423 1.00 0.00 C ATOM 951 CG2 VAL A 62 1.024 -2.667 -2.365 1.00 0.00 C ATOM 0 H VAL A 62 -0.833 -4.228 -3.978 1.00 0.00 H new ATOM 0 HA VAL A 62 1.534 -3.614 -5.655 1.00 0.00 H new ATOM 0 HB VAL A 62 2.696 -3.062 -3.570 1.00 0.00 H new ATOM 0 HG11 VAL A 62 2.041 -0.621 -3.734 1.00 0.00 H new ATOM 0 HG12 VAL A 62 2.264 -1.394 -5.321 1.00 0.00 H new ATOM 0 HG13 VAL A 62 0.623 -1.109 -4.693 1.00 0.00 H new ATOM 0 HG21 VAL A 62 1.484 -1.858 -1.799 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -0.044 -2.474 -2.471 1.00 0.00 H new ATOM 0 HG23 VAL A 62 1.172 -3.609 -1.837 1.00 0.00 H new ATOM 961 N THR A 63 2.479 -5.883 -5.053 1.00 0.00 N ATOM 962 CA THR A 63 2.900 -7.310 -4.910 1.00 0.00 C ATOM 963 C THR A 63 4.365 -7.397 -4.387 1.00 0.00 C ATOM 964 O THR A 63 5.246 -6.657 -4.836 1.00 0.00 O ATOM 965 CB THR A 63 2.787 -8.027 -6.294 1.00 0.00 C ATOM 966 OG1 THR A 63 1.573 -7.700 -6.968 1.00 0.00 O ATOM 967 CG2 THR A 63 2.819 -9.549 -6.217 1.00 0.00 C ATOM 0 H THR A 63 2.933 -5.400 -5.829 1.00 0.00 H new ATOM 0 HA THR A 63 2.246 -7.801 -4.190 1.00 0.00 H new ATOM 0 HB THR A 63 3.665 -7.667 -6.831 1.00 0.00 H new ATOM 0 HG1 THR A 63 1.541 -8.166 -7.829 1.00 0.00 H new ATOM 0 HG21 THR A 63 2.735 -9.966 -7.221 1.00 0.00 H new ATOM 0 HG22 THR A 63 3.758 -9.871 -5.767 1.00 0.00 H new ATOM 0 HG23 THR A 63 1.986 -9.900 -5.608 1.00 0.00 H new ATOM 975 N PHE A 64 4.606 -8.297 -3.425 1.00 0.00 N ATOM 976 CA PHE A 64 5.877 -8.322 -2.654 1.00 0.00 C ATOM 977 C PHE A 64 6.093 -9.647 -1.862 1.00 0.00 C ATOM 978 O PHE A 64 5.147 -10.292 -1.407 1.00 0.00 O ATOM 979 CB PHE A 64 5.998 -7.076 -1.726 1.00 0.00 C ATOM 980 CG PHE A 64 4.905 -6.889 -0.668 1.00 0.00 C ATOM 981 CD1 PHE A 64 5.047 -7.445 0.611 1.00 0.00 C ATOM 982 CD2 PHE A 64 3.757 -6.134 -0.952 1.00 0.00 C ATOM 983 CE1 PHE A 64 4.091 -7.209 1.597 1.00 0.00 C ATOM 984 CE2 PHE A 64 2.783 -5.927 0.024 1.00 0.00 C ATOM 985 CZ PHE A 64 2.959 -6.452 1.302 1.00 0.00 C ATOM 0 H PHE A 64 3.942 -9.023 -3.154 1.00 0.00 H new ATOM 0 HA PHE A 64 6.680 -8.280 -3.390 1.00 0.00 H new ATOM 0 HB2 PHE A 64 6.959 -7.126 -1.215 1.00 0.00 H new ATOM 0 HB3 PHE A 64 6.017 -6.186 -2.355 1.00 0.00 H new ATOM 0 HD1 PHE A 64 5.905 -8.062 0.834 1.00 0.00 H new ATOM 0 HD2 PHE A 64 3.626 -5.709 -1.936 1.00 0.00 H new ATOM 0 HE1 PHE A 64 4.227 -7.613 2.589 1.00 0.00 H new ATOM 0 HE2 PHE A 64 1.894 -5.361 -0.211 1.00 0.00 H new ATOM 0 HZ PHE A 64 2.217 -6.272 2.066 1.00 0.00 H new ATOM 995 N LYS A 65 7.358 -10.013 -1.641 1.00 0.00 N ATOM 996 CA LYS A 65 7.739 -11.075 -0.671 1.00 0.00 C ATOM 997 C LYS A 65 8.238 -10.515 0.706 1.00 0.00 C ATOM 998 O LYS A 65 8.366 -9.306 0.928 1.00 0.00 O ATOM 999 CB LYS A 65 8.720 -12.066 -1.362 1.00 0.00 C ATOM 1000 CG LYS A 65 10.089 -11.498 -1.753 1.00 0.00 C ATOM 1001 CD LYS A 65 11.304 -12.373 -1.447 1.00 0.00 C ATOM 1002 CE LYS A 65 12.518 -12.092 -2.372 1.00 0.00 C ATOM 1003 NZ LYS A 65 12.961 -10.663 -2.425 1.00 0.00 N ATOM 0 H LYS A 65 8.153 -9.591 -2.121 1.00 0.00 H new ATOM 0 HA LYS A 65 6.847 -11.634 -0.390 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.878 -12.913 -0.695 1.00 0.00 H new ATOM 0 HB3 LYS A 65 8.240 -12.453 -2.261 1.00 0.00 H new ATOM 0 HG2 LYS A 65 10.079 -11.291 -2.823 1.00 0.00 H new ATOM 0 HG3 LYS A 65 10.220 -10.543 -1.244 1.00 0.00 H new ATOM 0 HD2 LYS A 65 11.603 -12.216 -0.411 1.00 0.00 H new ATOM 0 HD3 LYS A 65 11.020 -13.421 -1.542 1.00 0.00 H new ATOM 0 HE2 LYS A 65 13.357 -12.704 -2.040 1.00 0.00 H new ATOM 0 HE3 LYS A 65 12.267 -12.416 -3.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 13.908 -10.609 -2.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 12.291 -10.113 -3.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 12.992 -10.273 -1.461 1.00 0.00 H new ATOM 1017 N PHE A 66 8.555 -11.431 1.626 1.00 0.00 N ATOM 1018 CA PHE A 66 9.231 -11.143 2.923 1.00 0.00 C ATOM 1019 C PHE A 66 10.749 -10.762 2.818 1.00 0.00 C ATOM 1020 O PHE A 66 11.628 -11.385 3.416 1.00 0.00 O ATOM 1021 CB PHE A 66 8.938 -12.340 3.882 1.00 0.00 C ATOM 1022 CG PHE A 66 9.104 -13.777 3.341 1.00 0.00 C ATOM 1023 CD1 PHE A 66 10.368 -14.372 3.229 1.00 0.00 C ATOM 1024 CD2 PHE A 66 7.984 -14.491 2.880 1.00 0.00 C ATOM 1025 CE1 PHE A 66 10.513 -15.646 2.677 1.00 0.00 C ATOM 1026 CE2 PHE A 66 8.127 -15.763 2.323 1.00 0.00 C ATOM 1027 CZ PHE A 66 9.392 -16.339 2.226 1.00 0.00 C ATOM 0 H PHE A 66 8.349 -12.422 1.499 1.00 0.00 H new ATOM 0 HA PHE A 66 8.813 -10.225 3.336 1.00 0.00 H new ATOM 0 HB2 PHE A 66 9.589 -12.236 4.750 1.00 0.00 H new ATOM 0 HB3 PHE A 66 7.913 -12.236 4.238 1.00 0.00 H new ATOM 0 HD1 PHE A 66 11.241 -13.838 3.574 1.00 0.00 H new ATOM 0 HD2 PHE A 66 7.001 -14.050 2.958 1.00 0.00 H new ATOM 0 HE1 PHE A 66 11.493 -16.094 2.600 1.00 0.00 H new ATOM 0 HE2 PHE A 66 7.259 -16.299 1.968 1.00 0.00 H new ATOM 0 HZ PHE A 66 9.504 -17.325 1.800 1.00 0.00 H new ATOM 1037 N GLY A 67 11.011 -9.682 2.078 1.00 0.00 N ATOM 1038 CA GLY A 67 12.356 -9.118 1.884 1.00 0.00 C ATOM 1039 C GLY A 67 12.602 -8.559 0.473 1.00 0.00 C ATOM 1040 O GLY A 67 13.492 -9.050 -0.225 1.00 0.00 O ATOM 0 H GLY A 67 10.283 -9.163 1.586 1.00 0.00 H new ATOM 0 HA2 GLY A 67 12.513 -8.322 2.612 1.00 0.00 H new ATOM 0 HA3 GLY A 67 13.096 -9.891 2.092 1.00 0.00 H new ATOM 1044 N GLU A 68 11.828 -7.540 0.079 1.00 0.00 N ATOM 1045 CA GLU A 68 12.020 -6.818 -1.204 1.00 0.00 C ATOM 1046 C GLU A 68 12.771 -5.442 -1.055 1.00 0.00 C ATOM 1047 O GLU A 68 13.669 -5.151 -1.844 1.00 0.00 O ATOM 1048 CB GLU A 68 10.660 -6.504 -1.895 1.00 0.00 C ATOM 1049 CG GLU A 68 9.728 -7.650 -2.241 1.00 0.00 C ATOM 1050 CD GLU A 68 10.112 -8.618 -3.328 1.00 0.00 C ATOM 1051 OE1 GLU A 68 11.301 -8.972 -3.486 1.00 0.00 O ATOM 1052 OE2 GLU A 68 9.170 -9.150 -3.952 1.00 0.00 O ATOM 0 H GLU A 68 11.049 -7.186 0.634 1.00 0.00 H new ATOM 0 HA GLU A 68 12.628 -7.499 -1.800 1.00 0.00 H new ATOM 0 HB2 GLU A 68 10.113 -5.819 -1.248 1.00 0.00 H new ATOM 0 HB3 GLU A 68 10.876 -5.966 -2.818 1.00 0.00 H new ATOM 0 HG2 GLU A 68 9.570 -8.228 -1.331 1.00 0.00 H new ATOM 0 HG3 GLU A 68 8.766 -7.217 -2.515 1.00 0.00 H new ATOM 1059 N GLU A 69 12.272 -4.569 -0.152 1.00 0.00 N ATOM 1060 CA GLU A 69 12.132 -3.111 -0.430 1.00 0.00 C ATOM 1061 C GLU A 69 11.212 -2.809 -1.665 1.00 0.00 C ATOM 1062 O GLU A 69 11.696 -2.430 -2.735 1.00 0.00 O ATOM 1063 CB GLU A 69 13.495 -2.386 -0.382 1.00 0.00 C ATOM 1064 CG GLU A 69 13.351 -0.869 -0.171 1.00 0.00 C ATOM 1065 CD GLU A 69 14.663 -0.111 -0.143 1.00 0.00 C ATOM 1066 OE1 GLU A 69 15.306 0.017 -1.208 1.00 0.00 O ATOM 1067 OE2 GLU A 69 15.028 0.407 0.933 1.00 0.00 O ATOM 0 H GLU A 69 11.957 -4.844 0.779 1.00 0.00 H new ATOM 0 HA GLU A 69 11.572 -2.657 0.388 1.00 0.00 H new ATOM 0 HB2 GLU A 69 14.097 -2.806 0.424 1.00 0.00 H new ATOM 0 HB3 GLU A 69 14.033 -2.570 -1.312 1.00 0.00 H new ATOM 0 HG2 GLU A 69 12.728 -0.462 -0.967 1.00 0.00 H new ATOM 0 HG3 GLU A 69 12.825 -0.694 0.767 1.00 0.00 H new ATOM 1074 N PHE A 70 9.883 -3.022 -1.529 1.00 0.00 N ATOM 1075 CA PHE A 70 8.945 -2.968 -2.686 1.00 0.00 C ATOM 1076 C PHE A 70 8.586 -1.518 -3.101 1.00 0.00 C ATOM 1077 O PHE A 70 8.299 -0.692 -2.231 1.00 0.00 O ATOM 1078 CB PHE A 70 7.694 -3.859 -2.468 1.00 0.00 C ATOM 1079 CG PHE A 70 6.540 -3.339 -1.607 1.00 0.00 C ATOM 1080 CD1 PHE A 70 5.539 -2.514 -2.150 1.00 0.00 C ATOM 1081 CD2 PHE A 70 6.443 -3.713 -0.266 1.00 0.00 C ATOM 1082 CE1 PHE A 70 4.484 -2.061 -1.358 1.00 0.00 C ATOM 1083 CE2 PHE A 70 5.369 -3.289 0.520 1.00 0.00 C ATOM 1084 CZ PHE A 70 4.393 -2.458 -0.027 1.00 0.00 C ATOM 0 H PHE A 70 9.433 -3.232 -0.638 1.00 0.00 H new ATOM 0 HA PHE A 70 9.480 -3.393 -3.535 1.00 0.00 H new ATOM 0 HB2 PHE A 70 7.287 -4.097 -3.451 1.00 0.00 H new ATOM 0 HB3 PHE A 70 8.033 -4.797 -2.028 1.00 0.00 H new ATOM 0 HD1 PHE A 70 5.588 -2.228 -3.190 1.00 0.00 H new ATOM 0 HD2 PHE A 70 7.208 -4.338 0.170 1.00 0.00 H new ATOM 0 HE1 PHE A 70 3.738 -1.402 -1.777 1.00 0.00 H new ATOM 0 HE2 PHE A 70 5.295 -3.605 1.550 1.00 0.00 H new ATOM 0 HZ PHE A 70 3.566 -2.122 0.582 1.00 0.00 H new ATOM 1094 N ASP A 71 8.524 -1.226 -4.402 1.00 0.00 N ATOM 1095 CA ASP A 71 8.134 0.126 -4.889 1.00 0.00 C ATOM 1096 C ASP A 71 6.577 0.347 -4.896 1.00 0.00 C ATOM 1097 O ASP A 71 5.803 -0.521 -5.313 1.00 0.00 O ATOM 1098 CB ASP A 71 8.719 0.371 -6.293 1.00 0.00 C ATOM 1099 CG ASP A 71 10.239 0.424 -6.356 1.00 0.00 C ATOM 1100 OD1 ASP A 71 10.832 1.478 -6.038 1.00 0.00 O ATOM 1101 OD2 ASP A 71 10.878 -0.599 -6.675 1.00 0.00 O ATOM 0 H ASP A 71 8.735 -1.894 -5.144 1.00 0.00 H new ATOM 0 HA ASP A 71 8.549 0.850 -4.188 1.00 0.00 H new ATOM 0 HB2 ASP A 71 8.370 -0.419 -6.958 1.00 0.00 H new ATOM 0 HB3 ASP A 71 8.321 1.310 -6.677 1.00 0.00 H new ATOM 1106 N GLU A 72 6.151 1.525 -4.434 1.00 0.00 N ATOM 1107 CA GLU A 72 4.721 1.947 -4.389 1.00 0.00 C ATOM 1108 C GLU A 72 4.617 3.353 -5.051 1.00 0.00 C ATOM 1109 O GLU A 72 5.479 4.218 -4.872 1.00 0.00 O ATOM 1110 CB GLU A 72 4.281 1.884 -2.907 1.00 0.00 C ATOM 1111 CG GLU A 72 3.037 2.659 -2.449 1.00 0.00 C ATOM 1112 CD GLU A 72 1.682 2.318 -3.030 1.00 0.00 C ATOM 1113 OE1 GLU A 72 1.553 2.162 -4.262 1.00 0.00 O ATOM 1114 OE2 GLU A 72 0.703 2.288 -2.247 1.00 0.00 O ATOM 0 H GLU A 72 6.788 2.234 -4.072 1.00 0.00 H new ATOM 0 HA GLU A 72 4.044 1.302 -4.949 1.00 0.00 H new ATOM 0 HB2 GLU A 72 4.120 0.835 -2.659 1.00 0.00 H new ATOM 0 HB3 GLU A 72 5.120 2.229 -2.303 1.00 0.00 H new ATOM 0 HG2 GLU A 72 2.964 2.547 -1.367 1.00 0.00 H new ATOM 0 HG3 GLU A 72 3.220 3.715 -2.649 1.00 0.00 H new ATOM 1121 N LYS A 73 3.537 3.578 -5.811 1.00 0.00 N ATOM 1122 CA LYS A 73 3.278 4.899 -6.450 1.00 0.00 C ATOM 1123 C LYS A 73 1.988 5.505 -5.855 1.00 0.00 C ATOM 1124 O LYS A 73 0.894 4.941 -5.967 1.00 0.00 O ATOM 1125 CB LYS A 73 3.208 4.708 -7.984 1.00 0.00 C ATOM 1126 CG LYS A 73 3.164 6.022 -8.793 1.00 0.00 C ATOM 1127 CD LYS A 73 1.923 6.217 -9.684 1.00 0.00 C ATOM 1128 CE LYS A 73 0.624 6.471 -8.907 1.00 0.00 C ATOM 1129 NZ LYS A 73 -0.479 6.793 -9.854 1.00 0.00 N ATOM 0 H LYS A 73 2.825 2.874 -6.005 1.00 0.00 H new ATOM 0 HA LYS A 73 4.084 5.604 -6.248 1.00 0.00 H new ATOM 0 HB2 LYS A 73 4.073 4.128 -8.305 1.00 0.00 H new ATOM 0 HB3 LYS A 73 2.323 4.119 -8.224 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.223 6.858 -8.096 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.052 6.069 -9.423 1.00 0.00 H new ATOM 0 HD2 LYS A 73 2.101 7.056 -10.357 1.00 0.00 H new ATOM 0 HD3 LYS A 73 1.794 5.332 -10.306 1.00 0.00 H new ATOM 0 HE2 LYS A 73 0.364 5.591 -8.318 1.00 0.00 H new ATOM 0 HE3 LYS A 73 0.765 7.294 -8.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -1.355 6.964 -9.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -0.233 7.645 -10.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -0.620 5.995 -10.506 1.00 0.00 H new ATOM 1143 N THR A 74 2.114 6.679 -5.234 1.00 0.00 N ATOM 1144 CA THR A 74 1.068 7.192 -4.316 1.00 0.00 C ATOM 1145 C THR A 74 0.053 8.115 -5.038 1.00 0.00 C ATOM 1146 O THR A 74 0.395 8.842 -5.977 1.00 0.00 O ATOM 1147 CB THR A 74 1.754 7.901 -3.102 1.00 0.00 C ATOM 1148 OG1 THR A 74 2.547 9.008 -3.509 1.00 0.00 O ATOM 1149 CG2 THR A 74 2.681 6.974 -2.310 1.00 0.00 C ATOM 0 H THR A 74 2.919 7.296 -5.342 1.00 0.00 H new ATOM 0 HA THR A 74 0.482 6.350 -3.946 1.00 0.00 H new ATOM 0 HB THR A 74 0.922 8.222 -2.476 1.00 0.00 H new ATOM 0 HG1 THR A 74 3.417 8.688 -3.827 1.00 0.00 H new ATOM 0 HG21 THR A 74 3.126 7.525 -1.482 1.00 0.00 H new ATOM 0 HG22 THR A 74 2.108 6.133 -1.920 1.00 0.00 H new ATOM 0 HG23 THR A 74 3.470 6.603 -2.964 1.00 0.00 H new ATOM 1157 N SER A 75 -1.201 8.116 -4.568 1.00 0.00 N ATOM 1158 CA SER A 75 -2.229 9.104 -4.992 1.00 0.00 C ATOM 1159 C SER A 75 -1.925 10.619 -4.805 1.00 0.00 C ATOM 1160 O SER A 75 -2.338 11.431 -5.633 1.00 0.00 O ATOM 1161 CB SER A 75 -3.537 8.721 -4.269 1.00 0.00 C ATOM 1162 OG SER A 75 -3.430 8.812 -2.844 1.00 0.00 O ATOM 0 H SER A 75 -1.541 7.439 -3.885 1.00 0.00 H new ATOM 0 HA SER A 75 -2.277 9.028 -6.078 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.340 9.374 -4.611 1.00 0.00 H new ATOM 0 HB3 SER A 75 -3.814 7.703 -4.544 1.00 0.00 H new ATOM 0 HG SER A 75 -3.965 9.568 -2.523 1.00 0.00 H new ATOM 1168 N ASP A 76 -1.182 10.974 -3.753 1.00 0.00 N ATOM 1169 CA ASP A 76 -0.494 12.281 -3.624 1.00 0.00 C ATOM 1170 C ASP A 76 0.536 12.673 -4.749 1.00 0.00 C ATOM 1171 O ASP A 76 0.798 13.861 -4.947 1.00 0.00 O ATOM 1172 CB ASP A 76 0.143 12.151 -2.220 1.00 0.00 C ATOM 1173 CG ASP A 76 0.729 13.404 -1.625 1.00 0.00 C ATOM 1174 OD1 ASP A 76 0.181 14.503 -1.835 1.00 0.00 O ATOM 1175 OD2 ASP A 76 1.747 13.313 -0.914 1.00 0.00 O ATOM 0 H ASP A 76 -1.034 10.361 -2.952 1.00 0.00 H new ATOM 0 HA ASP A 76 -1.190 13.110 -3.747 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -0.616 11.772 -1.536 1.00 0.00 H new ATOM 0 HB3 ASP A 76 0.930 11.398 -2.272 1.00 0.00 H new ATOM 1180 N GLY A 77 1.090 11.686 -5.469 1.00 0.00 N ATOM 1181 CA GLY A 77 1.976 11.899 -6.631 1.00 0.00 C ATOM 1182 C GLY A 77 3.465 11.704 -6.341 1.00 0.00 C ATOM 1183 O GLY A 77 4.255 12.616 -6.592 1.00 0.00 O ATOM 0 H GLY A 77 0.934 10.700 -5.259 1.00 0.00 H new ATOM 0 HA2 GLY A 77 1.681 11.214 -7.426 1.00 0.00 H new ATOM 0 HA3 GLY A 77 1.822 12.910 -7.008 1.00 0.00 H new ATOM 1187 N ARG A 78 3.852 10.539 -5.795 1.00 0.00 N ATOM 1188 CA ARG A 78 5.198 10.338 -5.218 1.00 0.00 C ATOM 1189 C ARG A 78 5.495 8.809 -5.287 1.00 0.00 C ATOM 1190 O ARG A 78 4.761 8.005 -4.696 1.00 0.00 O ATOM 1191 CB ARG A 78 5.370 10.813 -3.733 1.00 0.00 C ATOM 1192 CG ARG A 78 4.771 12.182 -3.386 1.00 0.00 C ATOM 1193 CD ARG A 78 5.168 12.726 -2.007 1.00 0.00 C ATOM 1194 NE ARG A 78 4.210 13.797 -1.630 1.00 0.00 N ATOM 1195 CZ ARG A 78 4.209 15.046 -2.077 1.00 0.00 C ATOM 1196 NH1 ARG A 78 5.254 15.629 -2.604 1.00 0.00 N ATOM 1197 NH2 ARG A 78 3.096 15.712 -1.988 1.00 0.00 N ATOM 0 H ARG A 78 3.251 9.717 -5.740 1.00 0.00 H new ATOM 0 HA ARG A 78 5.888 10.951 -5.797 1.00 0.00 H new ATOM 0 HB2 ARG A 78 4.919 10.066 -3.080 1.00 0.00 H new ATOM 0 HB3 ARG A 78 6.435 10.837 -3.502 1.00 0.00 H new ATOM 0 HG2 ARG A 78 5.077 12.900 -4.147 1.00 0.00 H new ATOM 0 HG3 ARG A 78 3.684 12.110 -3.434 1.00 0.00 H new ATOM 0 HD2 ARG A 78 5.154 11.927 -1.266 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.184 13.119 -2.033 1.00 0.00 H new ATOM 0 HE ARG A 78 3.481 13.547 -0.962 1.00 0.00 H new ATOM 0 HH11 ARG A 78 6.133 15.119 -2.689 1.00 0.00 H new ATOM 0 HH12 ARG A 78 5.190 16.593 -2.930 1.00 0.00 H new ATOM 0 HH21 ARG A 78 2.268 15.271 -1.587 1.00 0.00 H new ATOM 0 HH22 ARG A 78 3.050 16.676 -2.320 1.00 0.00 H new ATOM 1211 N ASN A 79 6.573 8.432 -5.977 1.00 0.00 N ATOM 1212 CA ASN A 79 7.148 7.067 -5.889 1.00 0.00 C ATOM 1213 C ASN A 79 7.880 6.833 -4.532 1.00 0.00 C ATOM 1214 O ASN A 79 8.786 7.587 -4.162 1.00 0.00 O ATOM 1215 CB ASN A 79 8.024 6.759 -7.126 1.00 0.00 C ATOM 1216 CG ASN A 79 9.241 7.638 -7.373 1.00 0.00 C ATOM 1217 OD1 ASN A 79 9.129 8.772 -7.825 1.00 0.00 O ATOM 1218 ND2 ASN A 79 10.432 7.166 -7.092 1.00 0.00 N ATOM 0 H ASN A 79 7.077 9.051 -6.611 1.00 0.00 H new ATOM 0 HA ASN A 79 6.330 6.347 -5.903 1.00 0.00 H new ATOM 0 HB2 ASN A 79 8.367 5.728 -7.044 1.00 0.00 H new ATOM 0 HB3 ASN A 79 7.387 6.814 -8.009 1.00 0.00 H new ATOM 0 HD21 ASN A 79 11.259 7.742 -7.250 1.00 0.00 H new ATOM 0 HD22 ASN A 79 10.531 6.223 -6.716 1.00 0.00 H new ATOM 1225 N VAL A 80 7.446 5.818 -3.790 1.00 0.00 N ATOM 1226 CA VAL A 80 7.996 5.482 -2.450 1.00 0.00 C ATOM 1227 C VAL A 80 8.448 3.984 -2.468 1.00 0.00 C ATOM 1228 O VAL A 80 8.133 3.217 -3.384 1.00 0.00 O ATOM 1229 CB VAL A 80 6.998 5.826 -1.290 1.00 0.00 C ATOM 1230 CG1 VAL A 80 6.529 7.298 -1.322 1.00 0.00 C ATOM 1231 CG2 VAL A 80 5.756 4.930 -1.177 1.00 0.00 C ATOM 0 H VAL A 80 6.698 5.192 -4.090 1.00 0.00 H new ATOM 0 HA VAL A 80 8.867 6.103 -2.240 1.00 0.00 H new ATOM 0 HB VAL A 80 7.609 5.634 -0.408 1.00 0.00 H new ATOM 0 HG11 VAL A 80 5.840 7.478 -0.497 1.00 0.00 H new ATOM 0 HG12 VAL A 80 7.392 7.957 -1.225 1.00 0.00 H new ATOM 0 HG13 VAL A 80 6.023 7.498 -2.267 1.00 0.00 H new ATOM 0 HG21 VAL A 80 5.142 5.263 -0.341 1.00 0.00 H new ATOM 0 HG22 VAL A 80 5.178 4.991 -2.099 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.066 3.898 -1.011 1.00 0.00 H new ATOM 1241 N LYS A 81 9.181 3.565 -1.443 1.00 0.00 N ATOM 1242 CA LYS A 81 9.562 2.142 -1.248 1.00 0.00 C ATOM 1243 C LYS A 81 9.031 1.604 0.116 1.00 0.00 C ATOM 1244 O LYS A 81 8.379 2.320 0.883 1.00 0.00 O ATOM 1245 CB LYS A 81 11.099 2.052 -1.433 1.00 0.00 C ATOM 1246 CG LYS A 81 11.490 1.496 -2.819 1.00 0.00 C ATOM 1247 CD LYS A 81 13.006 1.578 -3.072 1.00 0.00 C ATOM 1248 CE LYS A 81 13.572 0.401 -3.889 1.00 0.00 C ATOM 1249 NZ LYS A 81 13.206 0.487 -5.329 1.00 0.00 N ATOM 0 H LYS A 81 9.535 4.188 -0.717 1.00 0.00 H new ATOM 0 HA LYS A 81 9.097 1.487 -1.985 1.00 0.00 H new ATOM 0 HB2 LYS A 81 11.537 3.042 -1.304 1.00 0.00 H new ATOM 0 HB3 LYS A 81 11.520 1.414 -0.656 1.00 0.00 H new ATOM 0 HG2 LYS A 81 11.166 0.458 -2.897 1.00 0.00 H new ATOM 0 HG3 LYS A 81 10.963 2.053 -3.594 1.00 0.00 H new ATOM 0 HD2 LYS A 81 13.226 2.509 -3.595 1.00 0.00 H new ATOM 0 HD3 LYS A 81 13.522 1.622 -2.113 1.00 0.00 H new ATOM 0 HE2 LYS A 81 14.658 0.383 -3.793 1.00 0.00 H new ATOM 0 HE3 LYS A 81 13.200 -0.537 -3.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 12.809 -0.422 -5.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 12.499 1.238 -5.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 14.054 0.706 -5.890 1.00 0.00 H new ATOM 1263 N SER A 82 9.240 0.310 0.410 1.00 0.00 N ATOM 1264 CA SER A 82 8.770 -0.305 1.684 1.00 0.00 C ATOM 1265 C SER A 82 9.542 -1.610 2.028 1.00 0.00 C ATOM 1266 O SER A 82 9.333 -2.652 1.398 1.00 0.00 O ATOM 1267 CB SER A 82 7.242 -0.545 1.641 1.00 0.00 C ATOM 1268 OG SER A 82 6.530 0.690 1.727 1.00 0.00 O ATOM 0 H SER A 82 9.729 -0.337 -0.209 1.00 0.00 H new ATOM 0 HA SER A 82 8.983 0.401 2.486 1.00 0.00 H new ATOM 0 HB2 SER A 82 6.976 -1.059 0.717 1.00 0.00 H new ATOM 0 HB3 SER A 82 6.949 -1.197 2.464 1.00 0.00 H new ATOM 0 HG SER A 82 7.138 1.433 1.528 1.00 0.00 H new ATOM 1274 N VAL A 83 10.415 -1.551 3.050 1.00 0.00 N ATOM 1275 CA VAL A 83 11.214 -2.724 3.520 1.00 0.00 C ATOM 1276 C VAL A 83 10.371 -3.691 4.392 1.00 0.00 C ATOM 1277 O VAL A 83 10.082 -3.413 5.557 1.00 0.00 O ATOM 1278 CB VAL A 83 12.556 -2.238 4.143 1.00 0.00 C ATOM 1279 CG1 VAL A 83 12.489 -1.427 5.436 1.00 0.00 C ATOM 1280 CG2 VAL A 83 13.557 -3.393 4.329 1.00 0.00 C ATOM 0 H VAL A 83 10.594 -0.698 3.579 1.00 0.00 H new ATOM 0 HA VAL A 83 11.498 -3.345 2.670 1.00 0.00 H new ATOM 0 HB VAL A 83 12.896 -1.530 3.387 1.00 0.00 H new ATOM 0 HG11 VAL A 83 13.498 -1.159 5.750 1.00 0.00 H new ATOM 0 HG12 VAL A 83 11.909 -0.520 5.267 1.00 0.00 H new ATOM 0 HG13 VAL A 83 12.013 -2.023 6.215 1.00 0.00 H new ATOM 0 HG21 VAL A 83 14.479 -3.009 4.766 1.00 0.00 H new ATOM 0 HG22 VAL A 83 13.127 -4.144 4.991 1.00 0.00 H new ATOM 0 HG23 VAL A 83 13.775 -3.845 3.361 1.00 0.00 H new ATOM 1290 N VAL A 84 9.962 -4.817 3.790 1.00 0.00 N ATOM 1291 CA VAL A 84 9.065 -5.814 4.432 1.00 0.00 C ATOM 1292 C VAL A 84 9.930 -6.909 5.113 1.00 0.00 C ATOM 1293 O VAL A 84 10.738 -7.586 4.470 1.00 0.00 O ATOM 1294 CB VAL A 84 8.116 -6.460 3.375 1.00 0.00 C ATOM 1295 CG1 VAL A 84 7.159 -7.521 3.973 1.00 0.00 C ATOM 1296 CG2 VAL A 84 7.222 -5.437 2.658 1.00 0.00 C ATOM 0 H VAL A 84 10.239 -5.071 2.842 1.00 0.00 H new ATOM 0 HA VAL A 84 8.449 -5.314 5.180 1.00 0.00 H new ATOM 0 HB VAL A 84 8.811 -6.924 2.675 1.00 0.00 H new ATOM 0 HG11 VAL A 84 6.528 -7.929 3.183 1.00 0.00 H new ATOM 0 HG12 VAL A 84 7.742 -8.325 4.423 1.00 0.00 H new ATOM 0 HG13 VAL A 84 6.532 -7.057 4.735 1.00 0.00 H new ATOM 0 HG21 VAL A 84 6.587 -5.951 1.937 1.00 0.00 H new ATOM 0 HG22 VAL A 84 6.598 -4.923 3.389 1.00 0.00 H new ATOM 0 HG23 VAL A 84 7.846 -4.710 2.139 1.00 0.00 H new ATOM 1306 N GLU A 85 9.678 -7.100 6.405 1.00 0.00 N ATOM 1307 CA GLU A 85 10.398 -8.095 7.226 1.00 0.00 C ATOM 1308 C GLU A 85 9.416 -8.582 8.334 1.00 0.00 C ATOM 1309 O GLU A 85 8.909 -7.778 9.129 1.00 0.00 O ATOM 1310 CB GLU A 85 11.657 -7.458 7.867 1.00 0.00 C ATOM 1311 CG GLU A 85 12.859 -7.285 6.920 1.00 0.00 C ATOM 1312 CD GLU A 85 14.072 -6.687 7.611 1.00 0.00 C ATOM 1313 OE1 GLU A 85 14.848 -7.450 8.226 1.00 0.00 O ATOM 1314 OE2 GLU A 85 14.259 -5.454 7.533 1.00 0.00 O ATOM 0 H GLU A 85 8.972 -6.575 6.921 1.00 0.00 H new ATOM 0 HA GLU A 85 10.728 -8.931 6.610 1.00 0.00 H new ATOM 0 HB2 GLU A 85 11.386 -6.481 8.267 1.00 0.00 H new ATOM 0 HB3 GLU A 85 11.966 -8.074 8.712 1.00 0.00 H new ATOM 0 HG2 GLU A 85 13.127 -8.254 6.500 1.00 0.00 H new ATOM 0 HG3 GLU A 85 12.570 -6.645 6.086 1.00 0.00 H new ATOM 1321 N LYS A 86 9.145 -9.900 8.391 1.00 0.00 N ATOM 1322 CA LYS A 86 8.376 -10.490 9.515 1.00 0.00 C ATOM 1323 C LYS A 86 9.270 -10.673 10.769 1.00 0.00 C ATOM 1324 O LYS A 86 10.328 -11.306 10.709 1.00 0.00 O ATOM 1325 CB LYS A 86 7.531 -11.702 9.073 1.00 0.00 C ATOM 1326 CG LYS A 86 8.038 -13.121 9.314 1.00 0.00 C ATOM 1327 CD LYS A 86 9.281 -13.507 8.505 1.00 0.00 C ATOM 1328 CE LYS A 86 9.751 -14.919 8.886 1.00 0.00 C ATOM 1329 NZ LYS A 86 10.965 -15.271 8.106 1.00 0.00 N ATOM 0 H LYS A 86 9.441 -10.573 7.684 1.00 0.00 H new ATOM 0 HA LYS A 86 7.613 -9.784 9.843 1.00 0.00 H new ATOM 0 HB2 LYS A 86 6.562 -11.617 9.565 1.00 0.00 H new ATOM 0 HB3 LYS A 86 7.354 -11.600 8.002 1.00 0.00 H new ATOM 0 HG2 LYS A 86 8.262 -13.236 10.374 1.00 0.00 H new ATOM 0 HG3 LYS A 86 7.237 -13.822 9.079 1.00 0.00 H new ATOM 0 HD2 LYS A 86 9.056 -13.467 7.439 1.00 0.00 H new ATOM 0 HD3 LYS A 86 10.080 -12.789 8.689 1.00 0.00 H new ATOM 0 HE2 LYS A 86 9.967 -14.965 9.953 1.00 0.00 H new ATOM 0 HE3 LYS A 86 8.959 -15.642 8.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 11.280 -16.227 8.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 10.745 -15.244 7.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 11.722 -14.589 8.314 1.00 0.00 H new ATOM 1343 N ASN A 87 8.837 -10.117 11.901 1.00 0.00 N ATOM 1344 CA ASN A 87 9.536 -10.325 13.208 1.00 0.00 C ATOM 1345 C ASN A 87 9.108 -11.690 13.870 1.00 0.00 C ATOM 1346 O ASN A 87 9.947 -12.493 14.279 1.00 0.00 O ATOM 1347 CB ASN A 87 9.321 -9.161 14.209 1.00 0.00 C ATOM 1348 CG ASN A 87 9.350 -7.728 13.701 1.00 0.00 C ATOM 1349 OD1 ASN A 87 8.346 -7.020 13.747 1.00 0.00 O ATOM 1350 ND2 ASN A 87 10.469 -7.233 13.233 1.00 0.00 N ATOM 0 H ASN A 87 8.012 -9.520 11.959 1.00 0.00 H new ATOM 0 HA ASN A 87 10.600 -10.354 12.975 1.00 0.00 H new ATOM 0 HB2 ASN A 87 8.356 -9.318 14.692 1.00 0.00 H new ATOM 0 HB3 ASN A 87 10.083 -9.250 14.983 1.00 0.00 H new ATOM 0 HD21 ASN A 87 10.503 -6.266 12.910 1.00 0.00 H new ATOM 0 HD22 ASN A 87 11.306 -7.814 13.192 1.00 0.00 H new ATOM 1357 N SER A 88 7.796 -11.947 13.941 1.00 0.00 N ATOM 1358 CA SER A 88 7.250 -13.328 13.876 1.00 0.00 C ATOM 1359 C SER A 88 6.029 -13.357 12.898 1.00 0.00 C ATOM 1360 O SER A 88 5.668 -12.357 12.262 1.00 0.00 O ATOM 1361 CB SER A 88 6.963 -13.790 15.316 1.00 0.00 C ATOM 1362 OG SER A 88 8.194 -13.915 16.034 1.00 0.00 O ATOM 0 H SER A 88 7.085 -11.223 14.044 1.00 0.00 H new ATOM 0 HA SER A 88 7.956 -14.047 13.459 1.00 0.00 H new ATOM 0 HB2 SER A 88 6.310 -13.074 15.815 1.00 0.00 H new ATOM 0 HB3 SER A 88 6.438 -14.745 15.304 1.00 0.00 H new ATOM 0 HG SER A 88 8.930 -13.578 15.482 1.00 0.00 H new ATOM 1368 N GLU A 89 5.386 -14.515 12.751 1.00 0.00 N ATOM 1369 CA GLU A 89 4.361 -14.747 11.693 1.00 0.00 C ATOM 1370 C GLU A 89 2.942 -14.094 11.896 1.00 0.00 C ATOM 1371 O GLU A 89 2.117 -14.095 10.979 1.00 0.00 O ATOM 1372 CB GLU A 89 4.264 -16.274 11.462 1.00 0.00 C ATOM 1373 CG GLU A 89 5.562 -17.076 11.193 1.00 0.00 C ATOM 1374 CD GLU A 89 6.643 -16.431 10.345 1.00 0.00 C ATOM 1375 OE1 GLU A 89 6.441 -16.255 9.124 1.00 0.00 O ATOM 1376 OE2 GLU A 89 7.708 -16.079 10.897 1.00 0.00 O ATOM 0 H GLU A 89 5.548 -15.324 13.350 1.00 0.00 H new ATOM 0 HA GLU A 89 4.715 -14.213 10.811 1.00 0.00 H new ATOM 0 HB2 GLU A 89 3.783 -16.710 12.338 1.00 0.00 H new ATOM 0 HB3 GLU A 89 3.595 -16.437 10.617 1.00 0.00 H new ATOM 0 HG2 GLU A 89 6.003 -17.329 12.157 1.00 0.00 H new ATOM 0 HG3 GLU A 89 5.280 -18.014 10.715 1.00 0.00 H new ATOM 1383 N SER A 90 2.741 -13.470 13.064 1.00 0.00 N ATOM 1384 CA SER A 90 1.740 -12.401 13.271 1.00 0.00 C ATOM 1385 C SER A 90 2.298 -11.058 13.870 1.00 0.00 C ATOM 1386 O SER A 90 1.576 -10.337 14.564 1.00 0.00 O ATOM 1387 CB SER A 90 0.555 -12.985 14.079 1.00 0.00 C ATOM 1388 OG SER A 90 0.918 -13.307 15.421 1.00 0.00 O ATOM 0 H SER A 90 3.273 -13.692 13.906 1.00 0.00 H new ATOM 0 HA SER A 90 1.396 -12.083 12.287 1.00 0.00 H new ATOM 0 HB2 SER A 90 -0.264 -12.265 14.090 1.00 0.00 H new ATOM 0 HB3 SER A 90 0.185 -13.881 13.580 1.00 0.00 H new ATOM 0 HG SER A 90 0.139 -13.670 15.892 1.00 0.00 H new ATOM 1394 N LYS A 91 3.548 -10.671 13.548 1.00 0.00 N ATOM 1395 CA LYS A 91 4.172 -9.413 14.035 1.00 0.00 C ATOM 1396 C LYS A 91 5.223 -9.001 12.966 1.00 0.00 C ATOM 1397 O LYS A 91 6.340 -9.514 12.952 1.00 0.00 O ATOM 1398 CB LYS A 91 4.755 -9.666 15.442 1.00 0.00 C ATOM 1399 CG LYS A 91 5.584 -8.557 16.106 1.00 0.00 C ATOM 1400 CD LYS A 91 4.880 -7.222 16.359 1.00 0.00 C ATOM 1401 CE LYS A 91 5.111 -6.105 15.325 1.00 0.00 C ATOM 1402 NZ LYS A 91 6.530 -5.645 15.294 1.00 0.00 N ATOM 0 H LYS A 91 4.159 -11.219 12.942 1.00 0.00 H new ATOM 0 HA LYS A 91 3.470 -8.587 14.150 1.00 0.00 H new ATOM 0 HB2 LYS A 91 3.924 -9.901 16.107 1.00 0.00 H new ATOM 0 HB3 LYS A 91 5.380 -10.557 15.386 1.00 0.00 H new ATOM 0 HG2 LYS A 91 5.950 -8.933 17.061 1.00 0.00 H new ATOM 0 HG3 LYS A 91 6.457 -8.367 15.482 1.00 0.00 H new ATOM 0 HD2 LYS A 91 3.808 -7.410 16.421 1.00 0.00 H new ATOM 0 HD3 LYS A 91 5.196 -6.852 17.334 1.00 0.00 H new ATOM 0 HE2 LYS A 91 4.826 -6.464 14.336 1.00 0.00 H new ATOM 0 HE3 LYS A 91 4.463 -5.260 15.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 6.584 -4.716 14.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 6.891 -5.566 16.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 7.106 -6.331 14.765 1.00 0.00 H new ATOM 1416 N LEU A 92 4.840 -8.098 12.065 1.00 0.00 N ATOM 1417 CA LEU A 92 5.682 -7.653 10.913 1.00 0.00 C ATOM 1418 C LEU A 92 6.147 -6.183 11.088 1.00 0.00 C ATOM 1419 O LEU A 92 5.896 -5.531 12.106 1.00 0.00 O ATOM 1420 CB LEU A 92 4.815 -8.044 9.682 1.00 0.00 C ATOM 1421 CG LEU A 92 5.445 -7.903 8.291 1.00 0.00 C ATOM 1422 CD1 LEU A 92 5.073 -9.085 7.375 1.00 0.00 C ATOM 1423 CD2 LEU A 92 5.020 -6.616 7.579 1.00 0.00 C ATOM 0 H LEU A 92 3.930 -7.639 12.099 1.00 0.00 H new ATOM 0 HA LEU A 92 6.658 -8.126 10.803 1.00 0.00 H new ATOM 0 HB2 LEU A 92 4.506 -9.082 9.806 1.00 0.00 H new ATOM 0 HB3 LEU A 92 3.910 -7.437 9.703 1.00 0.00 H new ATOM 0 HG LEU A 92 6.520 -7.882 8.467 1.00 0.00 H new ATOM 0 HD11 LEU A 92 5.538 -8.949 6.399 1.00 0.00 H new ATOM 0 HD12 LEU A 92 5.427 -10.015 7.819 1.00 0.00 H new ATOM 0 HD13 LEU A 92 3.990 -9.128 7.258 1.00 0.00 H new ATOM 0 HD21 LEU A 92 5.495 -6.568 6.599 1.00 0.00 H new ATOM 0 HD22 LEU A 92 3.937 -6.608 7.457 1.00 0.00 H new ATOM 0 HD23 LEU A 92 5.325 -5.754 8.173 1.00 0.00 H new ATOM 1435 N THR A 93 6.954 -5.663 10.163 1.00 0.00 N ATOM 1436 CA THR A 93 7.422 -4.244 10.162 1.00 0.00 C ATOM 1437 C THR A 93 7.749 -3.868 8.685 1.00 0.00 C ATOM 1438 O THR A 93 8.887 -4.010 8.234 1.00 0.00 O ATOM 1439 CB THR A 93 8.610 -4.093 11.151 1.00 0.00 C ATOM 1440 OG1 THR A 93 8.156 -4.332 12.483 1.00 0.00 O ATOM 1441 CG2 THR A 93 9.294 -2.734 11.156 1.00 0.00 C ATOM 0 H THR A 93 7.314 -6.206 9.378 1.00 0.00 H new ATOM 0 HA THR A 93 6.665 -3.545 10.517 1.00 0.00 H new ATOM 0 HB THR A 93 9.343 -4.821 10.804 1.00 0.00 H new ATOM 0 HG1 THR A 93 7.204 -4.564 12.467 1.00 0.00 H new ATOM 0 HG21 THR A 93 10.108 -2.739 11.881 1.00 0.00 H new ATOM 0 HG22 THR A 93 9.694 -2.524 10.164 1.00 0.00 H new ATOM 0 HG23 THR A 93 8.571 -1.964 11.426 1.00 0.00 H new ATOM 1449 N GLN A 94 6.737 -3.390 7.937 1.00 0.00 N ATOM 1450 CA GLN A 94 6.909 -2.944 6.529 1.00 0.00 C ATOM 1451 C GLN A 94 7.175 -1.421 6.426 1.00 0.00 C ATOM 1452 O GLN A 94 6.261 -0.614 6.241 1.00 0.00 O ATOM 1453 CB GLN A 94 5.804 -3.491 5.600 1.00 0.00 C ATOM 1454 CG GLN A 94 4.346 -3.101 5.870 1.00 0.00 C ATOM 1455 CD GLN A 94 3.336 -3.806 4.974 1.00 0.00 C ATOM 1456 OE1 GLN A 94 2.586 -4.676 5.407 1.00 0.00 O ATOM 1457 NE2 GLN A 94 3.258 -3.442 3.718 1.00 0.00 N ATOM 0 H GLN A 94 5.781 -3.300 8.282 1.00 0.00 H new ATOM 0 HA GLN A 94 7.822 -3.399 6.144 1.00 0.00 H new ATOM 0 HB2 GLN A 94 6.045 -3.180 4.583 1.00 0.00 H new ATOM 0 HB3 GLN A 94 5.863 -4.579 5.623 1.00 0.00 H new ATOM 0 HG2 GLN A 94 4.109 -3.323 6.911 1.00 0.00 H new ATOM 0 HG3 GLN A 94 4.240 -2.024 5.741 1.00 0.00 H new ATOM 0 HE21 GLN A 94 3.881 -2.719 3.357 1.00 0.00 H new ATOM 0 HE22 GLN A 94 2.575 -3.881 3.101 1.00 0.00 H new ATOM 1466 N THR A 95 8.445 -1.033 6.593 1.00 0.00 N ATOM 1467 CA THR A 95 8.829 0.379 6.865 1.00 0.00 C ATOM 1468 C THR A 95 8.927 1.193 5.554 1.00 0.00 C ATOM 1469 O THR A 95 9.772 0.894 4.704 1.00 0.00 O ATOM 1470 CB THR A 95 10.147 0.401 7.687 1.00 0.00 C ATOM 1471 OG1 THR A 95 10.022 -0.437 8.839 1.00 0.00 O ATOM 1472 CG2 THR A 95 10.513 1.803 8.168 1.00 0.00 C ATOM 0 H THR A 95 9.237 -1.674 6.546 1.00 0.00 H new ATOM 0 HA THR A 95 8.054 0.863 7.459 1.00 0.00 H new ATOM 0 HB THR A 95 10.931 0.043 7.020 1.00 0.00 H new ATOM 0 HG1 THR A 95 10.900 -0.805 9.072 1.00 0.00 H new ATOM 0 HG21 THR A 95 11.442 1.762 8.737 1.00 0.00 H new ATOM 0 HG22 THR A 95 10.643 2.460 7.308 1.00 0.00 H new ATOM 0 HG23 THR A 95 9.716 2.190 8.803 1.00 0.00 H new ATOM 1480 N GLN A 96 8.063 2.211 5.391 1.00 0.00 N ATOM 1481 CA GLN A 96 7.969 2.959 4.111 1.00 0.00 C ATOM 1482 C GLN A 96 9.185 3.928 3.905 1.00 0.00 C ATOM 1483 O GLN A 96 9.510 4.747 4.770 1.00 0.00 O ATOM 1484 CB GLN A 96 6.652 3.755 3.929 1.00 0.00 C ATOM 1485 CG GLN A 96 5.331 3.016 4.197 1.00 0.00 C ATOM 1486 CD GLN A 96 4.068 3.836 3.933 1.00 0.00 C ATOM 1487 OE1 GLN A 96 3.176 3.427 3.198 1.00 0.00 O ATOM 1488 NE2 GLN A 96 3.905 4.994 4.539 1.00 0.00 N ATOM 0 H GLN A 96 7.424 2.537 6.116 1.00 0.00 H new ATOM 0 HA GLN A 96 7.983 2.179 3.350 1.00 0.00 H new ATOM 0 HB2 GLN A 96 6.691 4.623 4.587 1.00 0.00 H new ATOM 0 HB3 GLN A 96 6.625 4.131 2.906 1.00 0.00 H new ATOM 0 HG2 GLN A 96 5.301 2.120 3.577 1.00 0.00 H new ATOM 0 HG3 GLN A 96 5.321 2.685 5.236 1.00 0.00 H new ATOM 0 HE21 GLN A 96 4.634 5.354 5.155 1.00 0.00 H new ATOM 0 HE22 GLN A 96 3.050 5.531 4.392 1.00 0.00 H new ATOM 1497 N VAL A 97 9.850 3.815 2.757 1.00 0.00 N ATOM 1498 CA VAL A 97 11.039 4.636 2.419 1.00 0.00 C ATOM 1499 C VAL A 97 10.559 5.712 1.399 1.00 0.00 C ATOM 1500 O VAL A 97 10.574 5.519 0.180 1.00 0.00 O ATOM 1501 CB VAL A 97 12.173 3.687 1.923 1.00 0.00 C ATOM 1502 CG1 VAL A 97 13.417 4.471 1.472 1.00 0.00 C ATOM 1503 CG2 VAL A 97 12.646 2.718 3.041 1.00 0.00 C ATOM 0 H VAL A 97 9.589 3.154 2.025 1.00 0.00 H new ATOM 0 HA VAL A 97 11.473 5.171 3.264 1.00 0.00 H new ATOM 0 HB VAL A 97 11.741 3.134 1.089 1.00 0.00 H new ATOM 0 HG11 VAL A 97 14.184 3.774 1.134 1.00 0.00 H new ATOM 0 HG12 VAL A 97 13.149 5.140 0.654 1.00 0.00 H new ATOM 0 HG13 VAL A 97 13.801 5.056 2.308 1.00 0.00 H new ATOM 0 HG21 VAL A 97 13.436 2.074 2.654 1.00 0.00 H new ATOM 0 HG22 VAL A 97 13.027 3.294 3.884 1.00 0.00 H new ATOM 0 HG23 VAL A 97 11.807 2.105 3.370 1.00 0.00 H new ATOM 1513 N ASP A 98 10.096 6.834 1.947 1.00 0.00 N ATOM 1514 CA ASP A 98 9.466 7.932 1.182 1.00 0.00 C ATOM 1515 C ASP A 98 10.524 9.042 0.829 1.00 0.00 C ATOM 1516 O ASP A 98 11.616 9.035 1.412 1.00 0.00 O ATOM 1517 CB ASP A 98 8.369 8.513 2.121 1.00 0.00 C ATOM 1518 CG ASP A 98 7.307 7.549 2.645 1.00 0.00 C ATOM 1519 OD1 ASP A 98 7.573 6.908 3.686 1.00 0.00 O ATOM 1520 OD2 ASP A 98 6.215 7.441 2.058 1.00 0.00 O ATOM 0 H ASP A 98 10.144 7.018 2.949 1.00 0.00 H new ATOM 0 HA ASP A 98 9.052 7.578 0.238 1.00 0.00 H new ATOM 0 HB2 ASP A 98 8.866 8.965 2.979 1.00 0.00 H new ATOM 0 HB3 ASP A 98 7.861 9.316 1.588 1.00 0.00 H new ATOM 1525 N PRO A 99 10.255 10.093 0.008 1.00 0.00 N ATOM 1526 CA PRO A 99 11.134 11.321 -0.013 1.00 0.00 C ATOM 1527 C PRO A 99 11.342 12.116 1.319 1.00 0.00 C ATOM 1528 O PRO A 99 12.282 12.908 1.404 1.00 0.00 O ATOM 1529 CB PRO A 99 10.507 12.159 -1.152 1.00 0.00 C ATOM 1530 CG PRO A 99 9.030 11.706 -1.209 1.00 0.00 C ATOM 1531 CD PRO A 99 9.089 10.201 -0.887 1.00 0.00 C ATOM 0 HA PRO A 99 12.174 11.033 -0.170 1.00 0.00 H new ATOM 0 HB2 PRO A 99 10.586 13.227 -0.947 1.00 0.00 H new ATOM 0 HB3 PRO A 99 11.013 11.979 -2.100 1.00 0.00 H new ATOM 0 HG2 PRO A 99 8.419 12.245 -0.485 1.00 0.00 H new ATOM 0 HG3 PRO A 99 8.595 11.887 -2.192 1.00 0.00 H new ATOM 0 HD2 PRO A 99 8.176 9.857 -0.402 1.00 0.00 H new ATOM 0 HD3 PRO A 99 9.216 9.601 -1.788 1.00 0.00 H new ATOM 1539 N LYS A 100 10.522 11.853 2.349 1.00 0.00 N ATOM 1540 CA LYS A 100 10.858 12.178 3.764 1.00 0.00 C ATOM 1541 C LYS A 100 11.508 10.978 4.567 1.00 0.00 C ATOM 1542 O LYS A 100 12.340 11.234 5.437 1.00 0.00 O ATOM 1543 CB LYS A 100 9.541 12.642 4.445 1.00 0.00 C ATOM 1544 CG LYS A 100 9.665 13.658 5.598 1.00 0.00 C ATOM 1545 CD LYS A 100 10.091 13.052 6.945 1.00 0.00 C ATOM 1546 CE LYS A 100 9.925 14.045 8.106 1.00 0.00 C ATOM 1547 NZ LYS A 100 10.500 13.442 9.344 1.00 0.00 N ATOM 0 H LYS A 100 9.609 11.411 2.236 1.00 0.00 H new ATOM 0 HA LYS A 100 11.620 12.957 3.769 1.00 0.00 H new ATOM 0 HB2 LYS A 100 8.899 13.077 3.679 1.00 0.00 H new ATOM 0 HB3 LYS A 100 9.028 11.759 4.826 1.00 0.00 H new ATOM 0 HG2 LYS A 100 10.388 14.423 5.314 1.00 0.00 H new ATOM 0 HG3 LYS A 100 8.706 14.159 5.728 1.00 0.00 H new ATOM 0 HD2 LYS A 100 9.497 12.160 7.144 1.00 0.00 H new ATOM 0 HD3 LYS A 100 11.132 12.735 6.886 1.00 0.00 H new ATOM 0 HE2 LYS A 100 10.429 14.983 7.874 1.00 0.00 H new ATOM 0 HE3 LYS A 100 8.871 14.278 8.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 10.175 13.977 10.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 10.188 12.453 9.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 11.538 13.475 9.296 1.00 0.00 H new ATOM 1561 N ASN A 101 11.093 9.725 4.296 1.00 0.00 N ATOM 1562 CA ASN A 101 11.323 8.520 5.138 1.00 0.00 C ATOM 1563 C ASN A 101 10.236 8.398 6.255 1.00 0.00 C ATOM 1564 O ASN A 101 10.177 9.232 7.165 1.00 0.00 O ATOM 1565 CB ASN A 101 12.745 8.282 5.699 1.00 0.00 C ATOM 1566 CG ASN A 101 13.812 8.072 4.637 1.00 0.00 C ATOM 1567 OD1 ASN A 101 14.022 6.969 4.146 1.00 0.00 O ATOM 1568 ND2 ASN A 101 14.514 9.107 4.244 1.00 0.00 N ATOM 0 H ASN A 101 10.565 9.509 3.450 1.00 0.00 H new ATOM 0 HA ASN A 101 11.226 7.707 4.419 1.00 0.00 H new ATOM 0 HB2 ASN A 101 13.027 9.135 6.316 1.00 0.00 H new ATOM 0 HB3 ASN A 101 12.723 7.410 6.352 1.00 0.00 H new ATOM 0 HD21 ASN A 101 15.234 8.994 3.530 1.00 0.00 H new ATOM 0 HD22 ASN A 101 14.340 10.026 4.652 1.00 0.00 H new ATOM 1575 N THR A 102 9.410 7.340 6.199 1.00 0.00 N ATOM 1576 CA THR A 102 8.494 6.975 7.316 1.00 0.00 C ATOM 1577 C THR A 102 9.269 6.091 8.344 1.00 0.00 C ATOM 1578 O THR A 102 9.964 5.138 7.974 1.00 0.00 O ATOM 1579 CB THR A 102 7.252 6.214 6.770 1.00 0.00 C ATOM 1580 OG1 THR A 102 6.554 6.966 5.785 1.00 0.00 O ATOM 1581 CG2 THR A 102 6.178 5.904 7.803 1.00 0.00 C ATOM 0 H THR A 102 9.351 6.716 5.395 1.00 0.00 H new ATOM 0 HA THR A 102 8.144 7.881 7.811 1.00 0.00 H new ATOM 0 HB THR A 102 7.701 5.296 6.390 1.00 0.00 H new ATOM 0 HG1 THR A 102 7.171 7.216 5.066 1.00 0.00 H new ATOM 0 HG21 THR A 102 5.355 5.373 7.324 1.00 0.00 H new ATOM 0 HG22 THR A 102 6.601 5.282 8.592 1.00 0.00 H new ATOM 0 HG23 THR A 102 5.808 6.834 8.233 1.00 0.00 H new ATOM 1589 N THR A 103 9.135 6.397 9.636 1.00 0.00 N ATOM 1590 CA THR A 103 9.816 5.623 10.713 1.00 0.00 C ATOM 1591 C THR A 103 9.058 4.289 11.032 1.00 0.00 C ATOM 1592 O THR A 103 7.839 4.202 10.867 1.00 0.00 O ATOM 1593 CB THR A 103 9.998 6.593 11.904 1.00 0.00 C ATOM 1594 OG1 THR A 103 10.769 7.730 11.515 1.00 0.00 O ATOM 1595 CG2 THR A 103 10.724 6.032 13.109 1.00 0.00 C ATOM 0 H THR A 103 8.565 7.171 9.977 1.00 0.00 H new ATOM 0 HA THR A 103 10.802 5.269 10.412 1.00 0.00 H new ATOM 0 HB THR A 103 8.970 6.822 12.185 1.00 0.00 H new ATOM 0 HG1 THR A 103 11.491 7.872 12.162 1.00 0.00 H new ATOM 0 HG21 THR A 103 10.794 6.798 13.881 1.00 0.00 H new ATOM 0 HG22 THR A 103 10.175 5.174 13.498 1.00 0.00 H new ATOM 0 HG23 THR A 103 11.726 5.719 12.817 1.00 0.00 H new ATOM 1603 N VAL A 104 9.805 3.253 11.453 1.00 0.00 N ATOM 1604 CA VAL A 104 9.339 1.836 11.571 1.00 0.00 C ATOM 1605 C VAL A 104 7.856 1.564 11.986 1.00 0.00 C ATOM 1606 O VAL A 104 7.476 1.719 13.149 1.00 0.00 O ATOM 1607 CB VAL A 104 10.330 0.971 12.429 1.00 0.00 C ATOM 1608 CG1 VAL A 104 11.719 0.804 11.776 1.00 0.00 C ATOM 1609 CG2 VAL A 104 10.529 1.416 13.887 1.00 0.00 C ATOM 0 H VAL A 104 10.779 3.369 11.732 1.00 0.00 H new ATOM 0 HA VAL A 104 9.347 1.520 10.528 1.00 0.00 H new ATOM 0 HB VAL A 104 9.809 0.014 12.456 1.00 0.00 H new ATOM 0 HG11 VAL A 104 12.354 0.196 12.421 1.00 0.00 H new ATOM 0 HG12 VAL A 104 11.610 0.314 10.809 1.00 0.00 H new ATOM 0 HG13 VAL A 104 12.176 1.784 11.637 1.00 0.00 H new ATOM 0 HG21 VAL A 104 11.233 0.745 14.379 1.00 0.00 H new ATOM 0 HG22 VAL A 104 10.922 2.432 13.907 1.00 0.00 H new ATOM 0 HG23 VAL A 104 9.573 1.386 14.410 1.00 0.00 H new ATOM 1619 N ILE A 105 7.017 1.154 11.017 1.00 0.00 N ATOM 1620 CA ILE A 105 5.526 1.113 11.225 1.00 0.00 C ATOM 1621 C ILE A 105 4.892 -0.151 11.928 1.00 0.00 C ATOM 1622 O ILE A 105 3.664 -0.261 12.019 1.00 0.00 O ATOM 1623 CB ILE A 105 4.757 1.504 9.918 1.00 0.00 C ATOM 1624 CG1 ILE A 105 4.831 0.509 8.745 1.00 0.00 C ATOM 1625 CG2 ILE A 105 5.212 2.885 9.377 1.00 0.00 C ATOM 1626 CD1 ILE A 105 4.034 -0.780 8.890 1.00 0.00 C ATOM 0 H ILE A 105 7.321 0.848 10.093 1.00 0.00 H new ATOM 0 HA ILE A 105 5.384 1.874 11.992 1.00 0.00 H new ATOM 0 HB ILE A 105 3.722 1.511 10.261 1.00 0.00 H new ATOM 0 HG12 ILE A 105 4.491 1.020 7.844 1.00 0.00 H new ATOM 0 HG13 ILE A 105 5.877 0.246 8.587 1.00 0.00 H new ATOM 0 HG21 ILE A 105 4.656 3.121 8.470 1.00 0.00 H new ATOM 0 HG22 ILE A 105 5.022 3.651 10.129 1.00 0.00 H new ATOM 0 HG23 ILE A 105 6.278 2.854 9.152 1.00 0.00 H new ATOM 0 HD11 ILE A 105 4.169 -1.394 7.999 1.00 0.00 H new ATOM 0 HD12 ILE A 105 4.384 -1.328 9.765 1.00 0.00 H new ATOM 0 HD13 ILE A 105 2.977 -0.543 9.010 1.00 0.00 H new ATOM 1638 N VAL A 106 5.772 -1.051 12.385 1.00 0.00 N ATOM 1639 CA VAL A 106 5.499 -2.198 13.295 1.00 0.00 C ATOM 1640 C VAL A 106 4.046 -2.800 13.316 1.00 0.00 C ATOM 1641 O VAL A 106 3.163 -2.360 14.053 1.00 0.00 O ATOM 1642 CB VAL A 106 6.043 -1.935 14.746 1.00 0.00 C ATOM 1643 CG1 VAL A 106 7.579 -1.836 14.820 1.00 0.00 C ATOM 1644 CG2 VAL A 106 5.446 -0.690 15.422 1.00 0.00 C ATOM 0 H VAL A 106 6.756 -1.005 12.120 1.00 0.00 H new ATOM 0 HA VAL A 106 6.069 -2.999 12.825 1.00 0.00 H new ATOM 0 HB VAL A 106 5.715 -2.820 15.291 1.00 0.00 H new ATOM 0 HG11 VAL A 106 7.883 -1.654 15.851 1.00 0.00 H new ATOM 0 HG12 VAL A 106 8.021 -2.769 14.471 1.00 0.00 H new ATOM 0 HG13 VAL A 106 7.921 -1.015 14.190 1.00 0.00 H new ATOM 0 HG21 VAL A 106 5.872 -0.578 16.419 1.00 0.00 H new ATOM 0 HG22 VAL A 106 5.678 0.193 14.827 1.00 0.00 H new ATOM 0 HG23 VAL A 106 4.365 -0.802 15.500 1.00 0.00 H new ATOM 1654 N ARG A 107 3.816 -3.791 12.461 1.00 0.00 N ATOM 1655 CA ARG A 107 2.464 -4.319 12.148 1.00 0.00 C ATOM 1656 C ARG A 107 2.073 -5.501 13.079 1.00 0.00 C ATOM 1657 O ARG A 107 2.450 -6.652 12.835 1.00 0.00 O ATOM 1658 CB ARG A 107 2.515 -4.691 10.639 1.00 0.00 C ATOM 1659 CG ARG A 107 1.146 -4.932 9.985 1.00 0.00 C ATOM 1660 CD ARG A 107 1.236 -5.400 8.520 1.00 0.00 C ATOM 1661 NE ARG A 107 1.242 -6.880 8.432 1.00 0.00 N ATOM 1662 CZ ARG A 107 1.161 -7.574 7.302 1.00 0.00 C ATOM 1663 NH1 ARG A 107 1.301 -7.061 6.108 1.00 0.00 N ATOM 1664 NH2 ARG A 107 0.926 -8.846 7.380 1.00 0.00 N ATOM 0 H ARG A 107 4.562 -4.265 11.952 1.00 0.00 H new ATOM 0 HA ARG A 107 1.677 -3.587 12.331 1.00 0.00 H new ATOM 0 HB2 ARG A 107 3.023 -3.892 10.100 1.00 0.00 H new ATOM 0 HB3 ARG A 107 3.121 -5.590 10.522 1.00 0.00 H new ATOM 0 HG2 ARG A 107 0.603 -5.679 10.564 1.00 0.00 H new ATOM 0 HG3 ARG A 107 0.565 -4.011 10.028 1.00 0.00 H new ATOM 0 HD2 ARG A 107 0.393 -5.002 7.956 1.00 0.00 H new ATOM 0 HD3 ARG A 107 2.142 -5.002 8.063 1.00 0.00 H new ATOM 0 HE ARG A 107 1.314 -7.404 9.304 1.00 0.00 H new ATOM 0 HH11 ARG A 107 1.486 -6.064 6.000 1.00 0.00 H new ATOM 0 HH12 ARG A 107 1.225 -7.658 5.284 1.00 0.00 H new ATOM 0 HH21 ARG A 107 0.809 -9.288 8.292 1.00 0.00 H new ATOM 0 HH22 ARG A 107 0.858 -9.405 6.530 1.00 0.00 H new ATOM 1678 N GLU A 108 1.340 -5.191 14.152 1.00 0.00 N ATOM 1679 CA GLU A 108 0.953 -6.178 15.209 1.00 0.00 C ATOM 1680 C GLU A 108 -0.558 -6.589 15.081 1.00 0.00 C ATOM 1681 O GLU A 108 -1.185 -6.394 14.032 1.00 0.00 O ATOM 1682 CB GLU A 108 1.350 -5.472 16.533 1.00 0.00 C ATOM 1683 CG GLU A 108 1.513 -6.374 17.773 1.00 0.00 C ATOM 1684 CD GLU A 108 0.647 -5.931 18.932 1.00 0.00 C ATOM 1685 OE1 GLU A 108 -0.584 -6.116 18.856 1.00 0.00 O ATOM 1686 OE2 GLU A 108 1.165 -5.332 19.894 1.00 0.00 O ATOM 0 H GLU A 108 0.989 -4.250 14.329 1.00 0.00 H new ATOM 0 HA GLU A 108 1.458 -7.141 15.135 1.00 0.00 H new ATOM 0 HB2 GLU A 108 2.290 -4.944 16.369 1.00 0.00 H new ATOM 0 HB3 GLU A 108 0.595 -4.718 16.757 1.00 0.00 H new ATOM 0 HG2 GLU A 108 1.260 -7.400 17.507 1.00 0.00 H new ATOM 0 HG3 GLU A 108 2.558 -6.373 18.084 1.00 0.00 H new ATOM 1693 N VAL A 109 -1.132 -7.222 16.119 1.00 0.00 N ATOM 1694 CA VAL A 109 -2.548 -7.710 16.100 1.00 0.00 C ATOM 1695 C VAL A 109 -3.139 -7.898 17.527 1.00 0.00 C ATOM 1696 O VAL A 109 -2.600 -8.657 18.336 1.00 0.00 O ATOM 1697 CB VAL A 109 -2.736 -8.958 15.176 1.00 0.00 C ATOM 1698 CG1 VAL A 109 -2.034 -10.233 15.649 1.00 0.00 C ATOM 1699 CG2 VAL A 109 -4.209 -9.255 14.861 1.00 0.00 C ATOM 0 H VAL A 109 -0.644 -7.415 16.994 1.00 0.00 H new ATOM 0 HA VAL A 109 -3.143 -6.917 15.647 1.00 0.00 H new ATOM 0 HB VAL A 109 -2.233 -8.656 14.258 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -2.226 -11.039 14.940 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -0.961 -10.055 15.713 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -2.414 -10.515 16.631 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -4.274 -10.132 14.216 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -4.748 -9.446 15.789 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -4.653 -8.398 14.354 1.00 0.00 H new ATOM 1709 N ASP A 110 -4.312 -7.297 17.784 1.00 0.00 N ATOM 1710 CA ASP A 110 -5.073 -7.506 19.050 1.00 0.00 C ATOM 1711 C ASP A 110 -6.216 -8.580 18.918 1.00 0.00 C ATOM 1712 O ASP A 110 -7.360 -8.353 19.322 1.00 0.00 O ATOM 1713 CB ASP A 110 -5.616 -6.115 19.468 1.00 0.00 C ATOM 1714 CG ASP A 110 -4.601 -5.216 20.142 1.00 0.00 C ATOM 1715 OD1 ASP A 110 -4.142 -5.515 21.263 1.00 0.00 O ATOM 1716 OD2 ASP A 110 -4.206 -4.201 19.531 1.00 0.00 O ATOM 0 H ASP A 110 -4.766 -6.656 17.133 1.00 0.00 H new ATOM 0 HA ASP A 110 -4.417 -7.917 19.818 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -5.998 -5.608 18.582 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -6.460 -6.257 20.143 1.00 0.00 H new ATOM 1721 N GLY A 111 -5.901 -9.769 18.369 1.00 0.00 N ATOM 1722 CA GLY A 111 -6.922 -10.802 18.066 1.00 0.00 C ATOM 1723 C GLY A 111 -7.843 -10.464 16.881 1.00 0.00 C ATOM 1724 O GLY A 111 -8.978 -10.027 17.075 1.00 0.00 O ATOM 0 H GLY A 111 -4.949 -10.042 18.125 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -6.416 -11.745 17.858 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -7.536 -10.959 18.953 1.00 0.00 H new ATOM 1728 N ASP A 112 -7.318 -10.631 15.661 1.00 0.00 N ATOM 1729 CA ASP A 112 -7.976 -10.169 14.402 1.00 0.00 C ATOM 1730 C ASP A 112 -8.379 -8.648 14.293 1.00 0.00 C ATOM 1731 O ASP A 112 -9.339 -8.292 13.601 1.00 0.00 O ATOM 1732 CB ASP A 112 -9.077 -11.167 13.984 1.00 0.00 C ATOM 1733 CG ASP A 112 -8.591 -12.470 13.347 1.00 0.00 C ATOM 1734 OD1 ASP A 112 -7.379 -12.636 13.079 1.00 0.00 O ATOM 1735 OD2 ASP A 112 -9.447 -13.311 13.015 1.00 0.00 O ATOM 0 H ASP A 112 -6.421 -11.091 15.503 1.00 0.00 H new ATOM 0 HA ASP A 112 -7.187 -10.182 13.650 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -9.669 -11.415 14.865 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -9.744 -10.668 13.281 1.00 0.00 H new ATOM 1740 N THR A 113 -7.583 -7.754 14.895 1.00 0.00 N ATOM 1741 CA THR A 113 -7.720 -6.283 14.769 1.00 0.00 C ATOM 1742 C THR A 113 -6.277 -5.700 14.804 1.00 0.00 C ATOM 1743 O THR A 113 -5.642 -5.557 15.851 1.00 0.00 O ATOM 1744 CB THR A 113 -8.759 -5.702 15.744 1.00 0.00 C ATOM 1745 OG1 THR A 113 -9.170 -4.417 15.284 1.00 0.00 O ATOM 1746 CG2 THR A 113 -8.431 -5.598 17.219 1.00 0.00 C ATOM 0 H THR A 113 -6.808 -8.031 15.497 1.00 0.00 H new ATOM 0 HA THR A 113 -8.160 -5.976 13.820 1.00 0.00 H new ATOM 0 HB THR A 113 -9.537 -6.466 15.721 1.00 0.00 H new ATOM 0 HG1 THR A 113 -8.407 -3.802 15.305 1.00 0.00 H new ATOM 0 HG21 THR A 113 -9.279 -5.166 17.751 1.00 0.00 H new ATOM 0 HG22 THR A 113 -8.221 -6.591 17.616 1.00 0.00 H new ATOM 0 HG23 THR A 113 -7.556 -4.961 17.353 1.00 0.00 H new ATOM 1754 N MET A 114 -5.733 -5.495 13.602 1.00 0.00 N ATOM 1755 CA MET A 114 -4.293 -5.253 13.364 1.00 0.00 C ATOM 1756 C MET A 114 -3.805 -3.868 13.868 1.00 0.00 C ATOM 1757 O MET A 114 -4.161 -2.834 13.297 1.00 0.00 O ATOM 1758 CB MET A 114 -3.960 -5.458 11.861 1.00 0.00 C ATOM 1759 CG MET A 114 -3.883 -6.933 11.433 1.00 0.00 C ATOM 1760 SD MET A 114 -5.505 -7.711 11.500 1.00 0.00 S ATOM 1761 CE MET A 114 -5.041 -9.435 11.291 1.00 0.00 C ATOM 0 H MET A 114 -6.285 -5.491 12.745 1.00 0.00 H new ATOM 0 HA MET A 114 -3.746 -5.986 13.957 1.00 0.00 H new ATOM 0 HB2 MET A 114 -4.717 -4.955 11.260 1.00 0.00 H new ATOM 0 HB3 MET A 114 -3.007 -4.976 11.642 1.00 0.00 H new ATOM 0 HG2 MET A 114 -3.485 -7.001 10.421 1.00 0.00 H new ATOM 0 HG3 MET A 114 -3.192 -7.468 12.084 1.00 0.00 H new ATOM 0 HE1 MET A 114 -5.634 -10.055 11.963 1.00 0.00 H new ATOM 0 HE2 MET A 114 -5.224 -9.739 10.260 1.00 0.00 H new ATOM 0 HE3 MET A 114 -3.983 -9.558 11.523 1.00 0.00 H new ATOM 1771 N LYS A 115 -2.985 -3.881 14.931 1.00 0.00 N ATOM 1772 CA LYS A 115 -2.403 -2.652 15.529 1.00 0.00 C ATOM 1773 C LYS A 115 -1.053 -2.295 14.844 1.00 0.00 C ATOM 1774 O LYS A 115 -0.005 -2.845 15.185 1.00 0.00 O ATOM 1775 CB LYS A 115 -2.293 -2.918 17.057 1.00 0.00 C ATOM 1776 CG LYS A 115 -1.790 -1.711 17.866 1.00 0.00 C ATOM 1777 CD LYS A 115 -1.958 -1.836 19.387 1.00 0.00 C ATOM 1778 CE LYS A 115 -1.039 -2.828 20.117 1.00 0.00 C ATOM 1779 NZ LYS A 115 -1.673 -4.165 20.246 1.00 0.00 N ATOM 0 H LYS A 115 -2.702 -4.739 15.405 1.00 0.00 H new ATOM 0 HA LYS A 115 -3.028 -1.773 15.369 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -3.271 -3.214 17.435 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -1.620 -3.759 17.222 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -0.734 -1.558 17.643 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -2.320 -0.820 17.529 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -1.806 -0.850 19.826 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -2.991 -2.120 19.590 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -0.098 -2.921 19.574 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -0.798 -2.441 21.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -1.278 -4.658 21.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -2.700 -4.052 20.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -1.486 -4.722 19.388 1.00 0.00 H new ATOM 1793 N THR A 116 -1.079 -1.379 13.870 1.00 0.00 N ATOM 1794 CA THR A 116 0.118 -1.020 13.059 1.00 0.00 C ATOM 1795 C THR A 116 0.483 0.471 13.247 1.00 0.00 C ATOM 1796 O THR A 116 -0.017 1.369 12.563 1.00 0.00 O ATOM 1797 CB THR A 116 0.001 -1.505 11.598 1.00 0.00 C ATOM 1798 OG1 THR A 116 1.173 -1.136 10.869 1.00 0.00 O ATOM 1799 CG2 THR A 116 -1.207 -1.087 10.784 1.00 0.00 C ATOM 0 H THR A 116 -1.919 -0.861 13.613 1.00 0.00 H new ATOM 0 HA THR A 116 0.981 -1.569 13.435 1.00 0.00 H new ATOM 0 HB THR A 116 -0.124 -2.580 11.726 1.00 0.00 H new ATOM 0 HG1 THR A 116 1.899 -0.937 11.496 1.00 0.00 H new ATOM 0 HG21 THR A 116 -1.135 -1.511 9.782 1.00 0.00 H new ATOM 0 HG22 THR A 116 -2.114 -1.449 11.267 1.00 0.00 H new ATOM 0 HG23 THR A 116 -1.241 0.000 10.716 1.00 0.00 H new ATOM 1807 N THR A 117 1.394 0.702 14.190 1.00 0.00 N ATOM 1808 CA THR A 117 1.720 2.041 14.726 1.00 0.00 C ATOM 1809 C THR A 117 2.594 2.868 13.748 1.00 0.00 C ATOM 1810 O THR A 117 3.805 2.639 13.666 1.00 0.00 O ATOM 1811 CB THR A 117 2.496 1.774 16.068 1.00 0.00 C ATOM 1812 OG1 THR A 117 1.851 0.824 16.915 1.00 0.00 O ATOM 1813 CG2 THR A 117 2.690 3.025 16.905 1.00 0.00 C ATOM 0 H THR A 117 1.942 -0.044 14.618 1.00 0.00 H new ATOM 0 HA THR A 117 0.814 2.628 14.878 1.00 0.00 H new ATOM 0 HB THR A 117 3.456 1.388 15.725 1.00 0.00 H new ATOM 0 HG1 THR A 117 2.381 0.700 17.730 1.00 0.00 H new ATOM 0 HG21 THR A 117 3.232 2.772 17.817 1.00 0.00 H new ATOM 0 HG22 THR A 117 3.260 3.759 16.336 1.00 0.00 H new ATOM 0 HG23 THR A 117 1.718 3.443 17.165 1.00 0.00 H new ATOM 1821 N VAL A 118 2.013 3.840 13.018 1.00 0.00 N ATOM 1822 CA VAL A 118 2.813 4.682 12.083 1.00 0.00 C ATOM 1823 C VAL A 118 3.424 5.903 12.797 1.00 0.00 C ATOM 1824 O VAL A 118 2.770 6.926 12.990 1.00 0.00 O ATOM 1825 CB VAL A 118 2.088 4.903 10.732 1.00 0.00 C ATOM 1826 CG1 VAL A 118 0.717 5.570 10.711 1.00 0.00 C ATOM 1827 CG2 VAL A 118 2.975 5.640 9.704 1.00 0.00 C ATOM 0 H VAL A 118 1.019 4.065 13.049 1.00 0.00 H new ATOM 0 HA VAL A 118 3.703 4.140 11.763 1.00 0.00 H new ATOM 0 HB VAL A 118 1.895 3.862 10.472 1.00 0.00 H new ATOM 0 HG11 VAL A 118 0.363 5.642 9.683 1.00 0.00 H new ATOM 0 HG12 VAL A 118 0.015 4.976 11.296 1.00 0.00 H new ATOM 0 HG13 VAL A 118 0.792 6.569 11.139 1.00 0.00 H new ATOM 0 HG21 VAL A 118 2.422 5.771 8.774 1.00 0.00 H new ATOM 0 HG22 VAL A 118 3.256 6.616 10.099 1.00 0.00 H new ATOM 0 HG23 VAL A 118 3.874 5.054 9.512 1.00 0.00 H new ATOM 1837 N THR A 119 4.694 5.791 13.201 1.00 0.00 N ATOM 1838 CA THR A 119 5.504 6.953 13.669 1.00 0.00 C ATOM 1839 C THR A 119 6.397 7.519 12.533 1.00 0.00 C ATOM 1840 O THR A 119 6.732 6.815 11.576 1.00 0.00 O ATOM 1841 CB THR A 119 6.302 6.564 14.945 1.00 0.00 C ATOM 1842 OG1 THR A 119 7.065 7.678 15.410 1.00 0.00 O ATOM 1843 CG2 THR A 119 7.237 5.366 14.799 1.00 0.00 C ATOM 0 H THR A 119 5.199 4.905 13.218 1.00 0.00 H new ATOM 0 HA THR A 119 4.835 7.768 13.945 1.00 0.00 H new ATOM 0 HB THR A 119 5.535 6.267 15.660 1.00 0.00 H new ATOM 0 HG1 THR A 119 7.562 7.421 16.215 1.00 0.00 H new ATOM 0 HG21 THR A 119 7.743 5.182 15.747 1.00 0.00 H new ATOM 0 HG22 THR A 119 6.659 4.485 14.519 1.00 0.00 H new ATOM 0 HG23 THR A 119 7.977 5.574 14.027 1.00 0.00 H new ATOM 1851 N VAL A 120 6.761 8.811 12.621 1.00 0.00 N ATOM 1852 CA VAL A 120 7.597 9.483 11.571 1.00 0.00 C ATOM 1853 C VAL A 120 8.564 10.486 12.263 1.00 0.00 C ATOM 1854 O VAL A 120 8.329 11.699 12.285 1.00 0.00 O ATOM 1855 CB VAL A 120 6.735 10.171 10.458 1.00 0.00 C ATOM 1856 CG1 VAL A 120 7.616 10.578 9.266 1.00 0.00 C ATOM 1857 CG2 VAL A 120 5.589 9.275 9.975 1.00 0.00 C ATOM 0 H VAL A 120 6.499 9.419 13.397 1.00 0.00 H new ATOM 0 HA VAL A 120 8.178 8.721 11.051 1.00 0.00 H new ATOM 0 HB VAL A 120 6.294 11.062 10.905 1.00 0.00 H new ATOM 0 HG11 VAL A 120 6.999 11.054 8.504 1.00 0.00 H new ATOM 0 HG12 VAL A 120 8.382 11.277 9.602 1.00 0.00 H new ATOM 0 HG13 VAL A 120 8.092 9.692 8.846 1.00 0.00 H new ATOM 0 HG21 VAL A 120 5.020 9.795 9.204 1.00 0.00 H new ATOM 0 HG22 VAL A 120 5.997 8.352 9.564 1.00 0.00 H new ATOM 0 HG23 VAL A 120 4.933 9.040 10.813 1.00 0.00 H new ATOM 1867 N GLY A 121 9.605 9.956 12.913 1.00 0.00 N ATOM 1868 CA GLY A 121 10.330 10.671 13.986 1.00 0.00 C ATOM 1869 C GLY A 121 9.570 10.874 15.320 1.00 0.00 C ATOM 1870 O GLY A 121 10.071 10.527 16.389 1.00 0.00 O ATOM 0 H GLY A 121 9.973 9.025 12.717 1.00 0.00 H new ATOM 0 HA2 GLY A 121 11.250 10.126 14.197 1.00 0.00 H new ATOM 0 HA3 GLY A 121 10.620 11.651 13.607 1.00 0.00 H new ATOM 1874 N ASP A 122 8.396 11.504 15.212 1.00 0.00 N ATOM 1875 CA ASP A 122 7.729 12.212 16.327 1.00 0.00 C ATOM 1876 C ASP A 122 6.179 12.332 16.130 1.00 0.00 C ATOM 1877 O ASP A 122 5.619 13.431 16.148 1.00 0.00 O ATOM 1878 CB ASP A 122 8.446 13.565 16.610 1.00 0.00 C ATOM 1879 CG ASP A 122 8.524 14.568 15.458 1.00 0.00 C ATOM 1880 OD1 ASP A 122 9.326 14.365 14.520 1.00 0.00 O ATOM 1881 OD2 ASP A 122 7.748 15.548 15.436 1.00 0.00 O ATOM 0 H ASP A 122 7.869 11.541 14.339 1.00 0.00 H new ATOM 0 HA ASP A 122 7.830 11.608 17.229 1.00 0.00 H new ATOM 0 HB2 ASP A 122 7.939 14.048 17.445 1.00 0.00 H new ATOM 0 HB3 ASP A 122 9.462 13.347 16.938 1.00 0.00 H new ATOM 1886 N VAL A 123 5.470 11.197 15.964 1.00 0.00 N ATOM 1887 CA VAL A 123 3.979 11.192 15.847 1.00 0.00 C ATOM 1888 C VAL A 123 3.374 9.970 16.609 1.00 0.00 C ATOM 1889 O VAL A 123 2.618 10.162 17.562 1.00 0.00 O ATOM 1890 CB VAL A 123 3.461 11.278 14.367 1.00 0.00 C ATOM 1891 CG1 VAL A 123 1.915 11.361 14.327 1.00 0.00 C ATOM 1892 CG2 VAL A 123 3.982 12.510 13.609 1.00 0.00 C ATOM 0 H VAL A 123 5.894 10.271 15.907 1.00 0.00 H new ATOM 0 HA VAL A 123 3.626 12.107 16.323 1.00 0.00 H new ATOM 0 HB VAL A 123 3.834 10.373 13.888 1.00 0.00 H new ATOM 0 HG11 VAL A 123 1.580 11.420 13.291 1.00 0.00 H new ATOM 0 HG12 VAL A 123 1.491 10.473 14.796 1.00 0.00 H new ATOM 0 HG13 VAL A 123 1.584 12.249 14.866 1.00 0.00 H new ATOM 0 HG21 VAL A 123 3.586 12.507 12.594 1.00 0.00 H new ATOM 0 HG22 VAL A 123 3.659 13.416 14.122 1.00 0.00 H new ATOM 0 HG23 VAL A 123 5.071 12.482 13.573 1.00 0.00 H new ATOM 1902 N THR A 124 3.664 8.747 16.134 1.00 0.00 N ATOM 1903 CA THR A 124 3.127 7.473 16.695 1.00 0.00 C ATOM 1904 C THR A 124 1.584 7.336 16.535 1.00 0.00 C ATOM 1905 O THR A 124 0.820 7.479 17.494 1.00 0.00 O ATOM 1906 CB THR A 124 3.711 7.222 18.111 1.00 0.00 C ATOM 1907 OG1 THR A 124 5.137 7.318 18.095 1.00 0.00 O ATOM 1908 CG2 THR A 124 3.429 5.861 18.715 1.00 0.00 C ATOM 0 H THR A 124 4.286 8.602 15.339 1.00 0.00 H new ATOM 0 HA THR A 124 3.480 6.635 16.094 1.00 0.00 H new ATOM 0 HB THR A 124 3.214 7.985 18.710 1.00 0.00 H new ATOM 0 HG1 THR A 124 5.486 7.158 18.997 1.00 0.00 H new ATOM 0 HG21 THR A 124 3.885 5.800 19.703 1.00 0.00 H new ATOM 0 HG22 THR A 124 2.352 5.718 18.803 1.00 0.00 H new ATOM 0 HG23 THR A 124 3.847 5.085 18.074 1.00 0.00 H new ATOM 1916 N ALA A 125 1.125 7.043 15.306 1.00 0.00 N ATOM 1917 CA ALA A 125 -0.317 6.945 14.983 1.00 0.00 C ATOM 1918 C ALA A 125 -0.765 5.478 15.123 1.00 0.00 C ATOM 1919 O ALA A 125 -0.476 4.628 14.274 1.00 0.00 O ATOM 1920 CB ALA A 125 -0.476 7.504 13.565 1.00 0.00 C ATOM 0 H ALA A 125 1.737 6.867 14.509 1.00 0.00 H new ATOM 0 HA ALA A 125 -0.952 7.517 15.659 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -1.525 7.457 13.271 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -0.139 8.540 13.542 1.00 0.00 H new ATOM 0 HB3 ALA A 125 0.122 6.913 12.872 1.00 0.00 H new ATOM 1926 N ILE A 126 -1.442 5.190 16.238 1.00 0.00 N ATOM 1927 CA ILE A 126 -1.761 3.802 16.675 1.00 0.00 C ATOM 1928 C ILE A 126 -2.954 3.229 15.880 1.00 0.00 C ATOM 1929 O ILE A 126 -4.116 3.333 16.282 1.00 0.00 O ATOM 1930 CB ILE A 126 -1.828 3.815 18.236 1.00 0.00 C ATOM 1931 CG1 ILE A 126 -1.806 2.409 18.890 1.00 0.00 C ATOM 1932 CG2 ILE A 126 -2.973 4.616 18.879 1.00 0.00 C ATOM 1933 CD1 ILE A 126 -0.461 1.716 18.707 1.00 0.00 C ATOM 0 H ILE A 126 -1.791 5.906 16.875 1.00 0.00 H new ATOM 0 HA ILE A 126 -0.989 3.072 16.430 1.00 0.00 H new ATOM 0 HB ILE A 126 -0.901 4.347 18.451 1.00 0.00 H new ATOM 0 HG12 ILE A 126 -2.025 2.500 19.954 1.00 0.00 H new ATOM 0 HG13 ILE A 126 -2.593 1.794 18.454 1.00 0.00 H new ATOM 0 HG21 ILE A 126 -2.904 4.543 19.964 1.00 0.00 H new ATOM 0 HG22 ILE A 126 -2.898 5.662 18.581 1.00 0.00 H new ATOM 0 HG23 ILE A 126 -3.930 4.212 18.548 1.00 0.00 H new ATOM 0 HD11 ILE A 126 -0.490 0.735 19.180 1.00 0.00 H new ATOM 0 HD12 ILE A 126 -0.253 1.600 17.643 1.00 0.00 H new ATOM 0 HD13 ILE A 126 0.324 2.317 19.166 1.00 0.00 H new ATOM 1945 N ARG A 127 -2.646 2.683 14.685 1.00 0.00 N ATOM 1946 CA ARG A 127 -3.687 2.344 13.697 1.00 0.00 C ATOM 1947 C ARG A 127 -4.285 0.935 13.967 1.00 0.00 C ATOM 1948 O ARG A 127 -3.597 -0.074 13.809 1.00 0.00 O ATOM 1949 CB ARG A 127 -3.179 2.339 12.241 1.00 0.00 C ATOM 1950 CG ARG A 127 -2.583 3.630 11.682 1.00 0.00 C ATOM 1951 CD ARG A 127 -2.089 3.459 10.233 1.00 0.00 C ATOM 1952 NE ARG A 127 -0.895 2.580 10.174 1.00 0.00 N ATOM 1953 CZ ARG A 127 -0.240 2.236 9.075 1.00 0.00 C ATOM 1954 NH1 ARG A 127 -0.557 2.661 7.879 1.00 0.00 N ATOM 1955 NH2 ARG A 127 0.770 1.428 9.195 1.00 0.00 N ATOM 0 H ARG A 127 -1.695 2.470 14.385 1.00 0.00 H new ATOM 0 HA ARG A 127 -4.436 3.127 13.813 1.00 0.00 H new ATOM 0 HB2 ARG A 127 -2.423 1.558 12.154 1.00 0.00 H new ATOM 0 HB3 ARG A 127 -4.011 2.050 11.599 1.00 0.00 H new ATOM 0 HG2 ARG A 127 -3.333 4.421 11.718 1.00 0.00 H new ATOM 0 HG3 ARG A 127 -1.753 3.949 12.313 1.00 0.00 H new ATOM 0 HD2 ARG A 127 -2.886 3.036 9.622 1.00 0.00 H new ATOM 0 HD3 ARG A 127 -1.847 4.434 9.811 1.00 0.00 H new ATOM 0 HE ARG A 127 -0.548 2.208 11.058 1.00 0.00 H new ATOM 0 HH11 ARG A 127 -1.348 3.293 7.755 1.00 0.00 H new ATOM 0 HH12 ARG A 127 -0.013 2.360 7.070 1.00 0.00 H new ATOM 0 HH21 ARG A 127 1.037 1.078 10.115 1.00 0.00 H new ATOM 0 HH22 ARG A 127 1.296 1.143 8.369 1.00 0.00 H new ATOM 1969 N ASN A 128 -5.566 0.892 14.311 1.00 0.00 N ATOM 1970 CA ASN A 128 -6.303 -0.382 14.502 1.00 0.00 C ATOM 1971 C ASN A 128 -7.124 -0.676 13.210 1.00 0.00 C ATOM 1972 O ASN A 128 -7.866 0.196 12.753 1.00 0.00 O ATOM 1973 CB ASN A 128 -7.212 -0.134 15.725 1.00 0.00 C ATOM 1974 CG ASN A 128 -7.771 -1.350 16.437 1.00 0.00 C ATOM 1975 OD1 ASN A 128 -7.706 -2.491 15.984 1.00 0.00 O ATOM 1976 ND2 ASN A 128 -8.363 -1.140 17.589 1.00 0.00 N ATOM 0 H ASN A 128 -6.133 1.725 14.468 1.00 0.00 H new ATOM 0 HA ASN A 128 -5.660 -1.245 14.674 1.00 0.00 H new ATOM 0 HB2 ASN A 128 -6.648 0.451 16.451 1.00 0.00 H new ATOM 0 HB3 ASN A 128 -8.051 0.482 15.402 1.00 0.00 H new ATOM 0 HD21 ASN A 128 -8.767 -1.922 18.105 1.00 0.00 H new ATOM 0 HD22 ASN A 128 -8.419 -0.195 17.969 1.00 0.00 H new ATOM 1983 N TYR A 129 -6.989 -1.869 12.626 1.00 0.00 N ATOM 1984 CA TYR A 129 -7.709 -2.242 11.382 1.00 0.00 C ATOM 1985 C TYR A 129 -8.449 -3.613 11.598 1.00 0.00 C ATOM 1986 O TYR A 129 -7.818 -4.632 11.883 1.00 0.00 O ATOM 1987 CB TYR A 129 -6.731 -2.446 10.204 1.00 0.00 C ATOM 1988 CG TYR A 129 -6.004 -1.256 9.573 1.00 0.00 C ATOM 1989 CD1 TYR A 129 -4.900 -0.658 10.196 1.00 0.00 C ATOM 1990 CD2 TYR A 129 -6.304 -0.882 8.255 1.00 0.00 C ATOM 1991 CE1 TYR A 129 -4.131 0.291 9.514 1.00 0.00 C ATOM 1992 CE2 TYR A 129 -5.540 0.074 7.583 1.00 0.00 C ATOM 1993 CZ TYR A 129 -4.455 0.663 8.214 1.00 0.00 C ATOM 1994 OH TYR A 129 -3.696 1.584 7.553 1.00 0.00 O ATOM 0 H TYR A 129 -6.385 -2.606 12.990 1.00 0.00 H new ATOM 0 HA TYR A 129 -8.404 -1.434 11.154 1.00 0.00 H new ATOM 0 HB2 TYR A 129 -5.967 -3.146 10.540 1.00 0.00 H new ATOM 0 HB3 TYR A 129 -7.288 -2.940 9.408 1.00 0.00 H new ATOM 0 HD1 TYR A 129 -4.642 -0.931 11.208 1.00 0.00 H new ATOM 0 HD2 TYR A 129 -7.141 -1.342 7.751 1.00 0.00 H new ATOM 0 HE1 TYR A 129 -3.278 0.739 10.002 1.00 0.00 H new ATOM 0 HE2 TYR A 129 -5.794 0.355 6.572 1.00 0.00 H new ATOM 0 HH TYR A 129 -4.062 1.726 6.655 1.00 0.00 H new ATOM 2004 N LYS A 130 -9.768 -3.653 11.384 1.00 0.00 N ATOM 2005 CA LYS A 130 -10.573 -4.882 11.665 1.00 0.00 C ATOM 2006 C LYS A 130 -10.460 -5.907 10.507 1.00 0.00 C ATOM 2007 O LYS A 130 -10.885 -5.616 9.387 1.00 0.00 O ATOM 2008 CB LYS A 130 -12.029 -4.419 11.910 1.00 0.00 C ATOM 2009 CG LYS A 130 -13.123 -5.482 12.122 1.00 0.00 C ATOM 2010 CD LYS A 130 -13.305 -6.058 13.527 1.00 0.00 C ATOM 2011 CE LYS A 130 -12.234 -7.014 14.062 1.00 0.00 C ATOM 2012 NZ LYS A 130 -12.131 -8.302 13.314 1.00 0.00 N ATOM 0 H LYS A 130 -10.310 -2.868 11.022 1.00 0.00 H new ATOM 0 HA LYS A 130 -10.199 -5.404 12.546 1.00 0.00 H new ATOM 0 HB2 LYS A 130 -12.025 -3.771 12.786 1.00 0.00 H new ATOM 0 HB3 LYS A 130 -12.327 -3.805 11.060 1.00 0.00 H new ATOM 0 HG2 LYS A 130 -14.074 -5.048 11.814 1.00 0.00 H new ATOM 0 HG3 LYS A 130 -12.917 -6.312 11.446 1.00 0.00 H new ATOM 0 HD2 LYS A 130 -13.382 -5.222 14.222 1.00 0.00 H new ATOM 0 HD3 LYS A 130 -14.261 -6.582 13.551 1.00 0.00 H new ATOM 0 HE2 LYS A 130 -11.267 -6.511 14.032 1.00 0.00 H new ATOM 0 HE3 LYS A 130 -12.448 -7.231 15.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 -11.140 -8.616 13.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 -12.716 -9.023 13.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 -12.466 -8.165 12.339 1.00 0.00 H new ATOM 2026 N ARG A 131 -9.948 -7.113 10.804 1.00 0.00 N ATOM 2027 CA ARG A 131 -9.897 -8.234 9.825 1.00 0.00 C ATOM 2028 C ARG A 131 -11.314 -8.793 9.503 1.00 0.00 C ATOM 2029 O ARG A 131 -12.124 -9.043 10.405 1.00 0.00 O ATOM 2030 CB ARG A 131 -8.977 -9.338 10.395 1.00 0.00 C ATOM 2031 CG ARG A 131 -8.520 -10.421 9.377 1.00 0.00 C ATOM 2032 CD ARG A 131 -8.007 -11.657 10.133 1.00 0.00 C ATOM 2033 NE ARG A 131 -7.327 -12.643 9.267 1.00 0.00 N ATOM 2034 CZ ARG A 131 -6.647 -13.699 9.720 1.00 0.00 C ATOM 2035 NH1 ARG A 131 -6.478 -14.003 10.983 1.00 0.00 N ATOM 2036 NH2 ARG A 131 -6.094 -14.485 8.849 1.00 0.00 N ATOM 0 H ARG A 131 -9.559 -7.346 11.718 1.00 0.00 H new ATOM 0 HA ARG A 131 -9.495 -7.865 8.882 1.00 0.00 H new ATOM 0 HB2 ARG A 131 -8.091 -8.865 10.818 1.00 0.00 H new ATOM 0 HB3 ARG A 131 -9.497 -9.832 11.216 1.00 0.00 H new ATOM 0 HG2 ARG A 131 -9.351 -10.698 8.728 1.00 0.00 H new ATOM 0 HG3 ARG A 131 -7.734 -10.023 8.735 1.00 0.00 H new ATOM 0 HD2 ARG A 131 -7.317 -11.335 10.913 1.00 0.00 H new ATOM 0 HD3 ARG A 131 -8.847 -12.142 10.631 1.00 0.00 H new ATOM 0 HE ARG A 131 -7.381 -12.508 8.257 1.00 0.00 H new ATOM 0 HH11 ARG A 131 -6.882 -13.411 11.709 1.00 0.00 H new ATOM 0 HH12 ARG A 131 -5.942 -14.832 11.241 1.00 0.00 H new ATOM 0 HH21 ARG A 131 -6.186 -14.287 7.853 1.00 0.00 H new ATOM 0 HH22 ARG A 131 -5.567 -15.301 9.160 1.00 0.00 H new ATOM 2050 N LEU A 132 -11.569 -8.948 8.202 1.00 0.00 N ATOM 2051 CA LEU A 132 -12.905 -9.280 7.670 1.00 0.00 C ATOM 2052 C LEU A 132 -12.818 -10.566 6.789 1.00 0.00 C ATOM 2053 O LEU A 132 -12.037 -10.647 5.830 1.00 0.00 O ATOM 2054 CB LEU A 132 -13.433 -8.116 6.799 1.00 0.00 C ATOM 2055 CG LEU A 132 -13.603 -6.743 7.473 1.00 0.00 C ATOM 2056 CD1 LEU A 132 -14.181 -5.772 6.432 1.00 0.00 C ATOM 2057 CD2 LEU A 132 -14.483 -6.742 8.721 1.00 0.00 C ATOM 0 H LEU A 132 -10.856 -8.848 7.480 1.00 0.00 H new ATOM 0 HA LEU A 132 -13.582 -9.448 8.508 1.00 0.00 H new ATOM 0 HB2 LEU A 132 -12.755 -7.994 5.954 1.00 0.00 H new ATOM 0 HB3 LEU A 132 -14.400 -8.413 6.392 1.00 0.00 H new ATOM 0 HG LEU A 132 -12.616 -6.439 7.822 1.00 0.00 H new ATOM 0 HD11 LEU A 132 -14.312 -4.789 6.884 1.00 0.00 H new ATOM 0 HD12 LEU A 132 -13.497 -5.694 5.587 1.00 0.00 H new ATOM 0 HD13 LEU A 132 -15.145 -6.143 6.085 1.00 0.00 H new ATOM 0 HD21 LEU A 132 -14.542 -5.731 9.124 1.00 0.00 H new ATOM 0 HD22 LEU A 132 -15.483 -7.088 8.461 1.00 0.00 H new ATOM 0 HD23 LEU A 132 -14.053 -7.406 9.470 1.00 0.00 H new ATOM 2069 N SER A 133 -13.677 -11.536 7.105 1.00 0.00 N ATOM 2070 CA SER A 133 -13.640 -12.888 6.499 1.00 0.00 C ATOM 2071 C SER A 133 -14.717 -13.045 5.412 1.00 0.00 C ATOM 2072 O SER A 133 -14.518 -12.733 4.236 1.00 0.00 O ATOM 2073 CB SER A 133 -13.781 -13.945 7.621 1.00 0.00 C ATOM 2074 OG SER A 133 -15.025 -13.841 8.316 1.00 0.00 O ATOM 0 H SER A 133 -14.424 -11.416 7.789 1.00 0.00 H new ATOM 0 HA SER A 133 -12.683 -13.037 5.998 1.00 0.00 H new ATOM 0 HB2 SER A 133 -13.691 -14.942 7.190 1.00 0.00 H new ATOM 0 HB3 SER A 133 -12.961 -13.829 8.330 1.00 0.00 H new ATOM 0 HG SER A 133 -15.069 -14.529 9.013 1.00 0.00 H new TER 2081 SER A 133