USER MOD reduce.3.24.130724 H: found=0, std=0, add=1614, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 1614 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: B 66 ASN : amide:sc= -0.846 K(o=-0.85,f=-5.3!) USER MOD Set 1.2: B 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: B 34 ASN : amide:sc= -7.98! C(o=-11!,f=-26!) USER MOD Set 2.2: B 36 ASN : amide:sc= -3.47! C(o=-11!,f=-13!) USER MOD Set 3.1: A 15 THR OG1 : rot -179:sc= 0.0534 USER MOD Set 3.2: B 15 THR OG1 : rot -179:sc= 0.0521 USER MOD Set 4.1: A 66 ASN : amide:sc= -1.14 K(o=-1.2,f=-6!) USER MOD Set 4.2: A 85 LYS NZ :NH3+ 180:sc=-0.00908 (180deg=0) USER MOD Set 5.1: A 59 LYS NZ :NH3+ -157:sc= -0.0135 (180deg=0) USER MOD Set 5.2: B 1 MET CE :methyl 151:sc= -4.32! (180deg=-6.28!) USER MOD Set 6.1: A 34 ASN : amide:sc= -7.96! C(o=-11!,f=-27!) USER MOD Set 6.2: A 36 ASN : amide:sc= -3.53! C(o=-11!,f=-13!) USER MOD Set 7.1: A 1 MET CE :methyl 174:sc= -5.15! (180deg=-5.04!) USER MOD Set 7.2: B 59 LYS NZ :NH3+ -154:sc= -0.04 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -139:sc= -1.02 (180deg=-1.41) USER MOD Single : A 5 THR OG1 : rot 95:sc= -2.74! USER MOD Single : A 7 THR OG1 : rot 66:sc= 0.955 USER MOD Single : A 18 SER OG : rot -111:sc= 0.632 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.577 USER MOD Single : A 22 THR OG1 : rot -78:sc= 0.897 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot -69:sc= 0.0114 USER MOD Single : A 39 LYS NZ :NH3+ -165:sc= -0.0534 (180deg=-0.333) USER MOD Single : A 43 THR OG1 : rot -98:sc= -2.08! USER MOD Single : A 44 GLN : amide:sc= -0.0437 K(o=-0.044,f=-1) USER MOD Single : A 45 GLN : amide:sc= -8.53! C(o=-8.5!,f=-13!) USER MOD Single : A 48 HIS : no HD1:sc= -6.85! C(o=-4.6!,f=-17!) USER MOD Single : A 51 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.00494) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl 159:sc= -0.207 (180deg=-0.806) USER MOD Single : A 61 LYS NZ :NH3+ -170:sc=-0.00156 (180deg=-0.153) USER MOD Single : A 62 THR OG1 : rot 76:sc= -1.83! USER MOD Single : A 67 GLN : amide:sc= -11.4! C(o=-11!,f=-7.1!) USER MOD Single : A 69 SER OG : rot -90:sc= 0.0079 USER MOD Single : A 74 SER OG : rot 180:sc= -0.334 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ -175:sc= -1.67 (180deg=-1.72) USER MOD Single : A 91 LYS NZ :NH3+ 165:sc= -0.0597 (180deg=-0.331) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ 180:sc= -1.4 (180deg=-1.4) USER MOD Single : B 5 THR OG1 : rot 95:sc= -1.21! USER MOD Single : B 7 THR OG1 : rot 68:sc= 0.734 USER MOD Single : B 18 SER OG : rot -7:sc= 0.368 USER MOD Single : B 19 THR OG1 : rot 180:sc= 0.557 USER MOD Single : B 22 THR OG1 : rot -83:sc= 0.869 USER MOD Single : B 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 SER OG : rot -69:sc= -0.265 USER MOD Single : B 39 LYS NZ :NH3+ -165:sc= -0.0505 (180deg=-0.322) USER MOD Single : B 43 THR OG1 : rot -101:sc= -1.18 USER MOD Single : B 44 GLN : amide:sc= -0.469 K(o=-0.47,f=-1.5) USER MOD Single : B 45 GLN : amide:sc= -9.25! C(o=-9.2!,f=-16!) USER MOD Single : B 48 HIS : no HD1:sc= -6.92! C(o=-4.9!,f=-17!) USER MOD Single : B 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 55 SER OG : rot 180:sc= 0 USER MOD Single : B 60 MET CE :methyl 159:sc= -0.203 (180deg=-0.894) USER MOD Single : B 61 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.119) USER MOD Single : B 62 THR OG1 : rot 69:sc= -1.42! USER MOD Single : B 67 GLN : amide:sc= -9.71! C(o=-9.7!,f=-7.6!) USER MOD Single : B 69 SER OG : rot -91:sc= 0.211 USER MOD Single : B 74 SER OG : rot 180:sc= -0.386 USER MOD Single : B 76 TYR OH : rot 180:sc= 0 USER MOD Single : B 89 LYS NZ :NH3+ -173:sc= -1.3 (180deg=-1.34) USER MOD Single : B 91 LYS NZ :NH3+ 164:sc= -0.0724 (180deg=-0.385) USER MOD Single : B 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -18.878 4.499 -2.174 1.00 0.64 N ATOM 2 CA MET A 1 -18.126 5.767 -2.353 1.00 0.59 C ATOM 3 C MET A 1 -16.866 5.550 -3.164 1.00 0.60 C ATOM 4 O MET A 1 -16.544 4.427 -3.553 1.00 0.61 O ATOM 5 CB MET A 1 -17.743 6.359 -0.992 1.00 0.57 C ATOM 6 CG MET A 1 -18.758 7.324 -0.351 1.00 0.61 C ATOM 7 SD MET A 1 -20.399 7.342 -1.135 1.00 0.96 S ATOM 8 CE MET A 1 -21.346 8.358 -0.007 1.00 1.17 C ATOM 0 H1 MET A 1 -19.896 4.681 -2.282 1.00 0.64 H new ATOM 0 H2 MET A 1 -18.571 3.810 -2.890 1.00 0.64 H new ATOM 0 H3 MET A 1 -18.694 4.117 -1.224 1.00 0.64 H new ATOM 0 HA MET A 1 -18.777 6.458 -2.888 1.00 0.59 H new ATOM 0 HB2 MET A 1 -17.570 5.536 -0.299 1.00 0.57 H new ATOM 0 HB3 MET A 1 -16.795 6.886 -1.104 1.00 0.57 H new ATOM 0 HG2 MET A 1 -18.876 7.058 0.699 1.00 0.61 H new ATOM 0 HG3 MET A 1 -18.346 8.333 -0.380 1.00 0.61 H new ATOM 0 HE1 MET A 1 -22.337 8.537 -0.423 1.00 1.17 H new ATOM 0 HE2 MET A 1 -21.442 7.846 0.951 1.00 1.17 H new ATOM 0 HE3 MET A 1 -20.837 9.310 0.140 1.00 1.17 H new ATOM 20 N ALA A 2 -16.177 6.644 -3.443 1.00 0.62 N ATOM 21 CA ALA A 2 -14.942 6.594 -4.198 1.00 0.65 C ATOM 22 C ALA A 2 -13.764 6.976 -3.335 1.00 0.62 C ATOM 23 O ALA A 2 -13.821 7.949 -2.590 1.00 0.72 O ATOM 24 CB ALA A 2 -14.998 7.513 -5.408 1.00 0.73 C ATOM 0 H ALA A 2 -16.457 7.582 -3.155 1.00 0.62 H new ATOM 0 HA ALA A 2 -14.816 5.567 -4.540 1.00 0.65 H new ATOM 0 HB1 ALA A 2 -14.057 7.453 -5.954 1.00 0.73 H new ATOM 0 HB2 ALA A 2 -15.816 7.207 -6.060 1.00 0.73 H new ATOM 0 HB3 ALA A 2 -15.162 8.539 -5.078 1.00 0.73 H new ATOM 30 N ALA A 3 -12.693 6.220 -3.430 1.00 0.73 N ATOM 31 CA ALA A 3 -11.515 6.554 -2.673 1.00 0.76 C ATOM 32 C ALA A 3 -10.917 7.819 -3.259 1.00 0.66 C ATOM 33 O ALA A 3 -9.956 7.778 -4.026 1.00 0.81 O ATOM 34 CB ALA A 3 -10.525 5.404 -2.681 1.00 1.06 C ATOM 0 H ALA A 3 -12.616 5.386 -4.013 1.00 0.73 H new ATOM 0 HA ALA A 3 -11.775 6.731 -1.629 1.00 0.76 H new ATOM 0 HB1 ALA A 3 -9.643 5.679 -2.103 1.00 1.06 H new ATOM 0 HB2 ALA A 3 -10.988 4.522 -2.239 1.00 1.06 H new ATOM 0 HB3 ALA A 3 -10.232 5.183 -3.707 1.00 1.06 H new ATOM 40 N GLU A 4 -11.514 8.946 -2.888 1.00 0.63 N ATOM 41 CA GLU A 4 -11.096 10.242 -3.396 1.00 0.75 C ATOM 42 C GLU A 4 -9.702 10.615 -2.906 1.00 0.74 C ATOM 43 O GLU A 4 -8.747 10.577 -3.683 1.00 0.85 O ATOM 44 CB GLU A 4 -12.144 11.302 -3.039 1.00 0.97 C ATOM 45 CG GLU A 4 -12.614 11.283 -1.591 1.00 1.44 C ATOM 46 CD GLU A 4 -12.206 12.531 -0.833 1.00 2.42 C ATOM 47 OE1 GLU A 4 -12.506 13.644 -1.311 1.00 3.20 O ATOM 48 OE2 GLU A 4 -11.582 12.393 0.241 1.00 3.03 O ATOM 0 H GLU A 4 -12.294 8.985 -2.232 1.00 0.63 H new ATOM 0 HA GLU A 4 -11.028 10.188 -4.483 1.00 0.75 H new ATOM 0 HB2 GLU A 4 -11.731 12.287 -3.258 1.00 0.97 H new ATOM 0 HB3 GLU A 4 -13.010 11.168 -3.688 1.00 0.97 H new ATOM 0 HG2 GLU A 4 -13.699 11.185 -1.566 1.00 1.44 H new ATOM 0 HG3 GLU A 4 -12.203 10.407 -1.090 1.00 1.44 H new ATOM 55 N THR A 5 -9.565 10.976 -1.642 1.00 0.69 N ATOM 56 CA THR A 5 -8.269 11.322 -1.108 1.00 0.74 C ATOM 57 C THR A 5 -7.538 10.086 -0.552 1.00 0.61 C ATOM 58 O THR A 5 -7.238 9.163 -1.309 1.00 0.78 O ATOM 59 CB THR A 5 -8.401 12.417 -0.042 1.00 0.93 C ATOM 60 OG1 THR A 5 -9.184 13.491 -0.558 1.00 1.43 O ATOM 61 CG2 THR A 5 -7.022 12.909 0.377 1.00 1.09 C ATOM 0 H THR A 5 -10.333 11.036 -0.974 1.00 0.69 H new ATOM 0 HA THR A 5 -7.663 11.713 -1.925 1.00 0.74 H new ATOM 0 HB THR A 5 -8.899 12.009 0.838 1.00 0.93 H new ATOM 0 HG1 THR A 5 -10.119 13.373 -0.288 1.00 1.43 H new ATOM 0 HG21 THR A 5 -7.127 13.686 1.134 1.00 1.09 H new ATOM 0 HG22 THR A 5 -6.448 12.078 0.788 1.00 1.09 H new ATOM 0 HG23 THR A 5 -6.502 13.316 -0.490 1.00 1.09 H new ATOM 69 N LEU A 6 -7.302 10.039 0.768 1.00 0.54 N ATOM 70 CA LEU A 6 -6.582 8.947 1.392 1.00 0.50 C ATOM 71 C LEU A 6 -7.534 8.060 2.175 1.00 0.49 C ATOM 72 O LEU A 6 -8.050 8.467 3.211 1.00 0.56 O ATOM 73 CB LEU A 6 -5.550 9.515 2.370 1.00 0.61 C ATOM 74 CG LEU A 6 -4.206 9.940 1.778 1.00 0.75 C ATOM 75 CD1 LEU A 6 -3.992 11.436 1.958 1.00 1.15 C ATOM 76 CD2 LEU A 6 -3.077 9.163 2.430 1.00 1.07 C ATOM 0 H LEU A 6 -7.609 10.760 1.421 1.00 0.54 H new ATOM 0 HA LEU A 6 -6.096 8.363 0.610 1.00 0.50 H new ATOM 0 HB2 LEU A 6 -5.991 10.379 2.867 1.00 0.61 H new ATOM 0 HB3 LEU A 6 -5.362 8.766 3.139 1.00 0.61 H new ATOM 0 HG LEU A 6 -4.212 9.720 0.711 1.00 0.75 H new ATOM 0 HD11 LEU A 6 -3.030 11.720 1.531 1.00 1.15 H new ATOM 0 HD12 LEU A 6 -4.789 11.981 1.452 1.00 1.15 H new ATOM 0 HD13 LEU A 6 -4.003 11.680 3.020 1.00 1.15 H new ATOM 0 HD21 LEU A 6 -2.125 9.475 2.000 1.00 1.07 H new ATOM 0 HD22 LEU A 6 -3.072 9.359 3.502 1.00 1.07 H new ATOM 0 HD23 LEU A 6 -3.222 8.097 2.257 1.00 1.07 H new ATOM 88 N THR A 7 -7.775 6.854 1.702 1.00 0.50 N ATOM 89 CA THR A 7 -8.665 5.964 2.423 1.00 0.54 C ATOM 90 C THR A 7 -8.076 5.617 3.774 1.00 0.48 C ATOM 91 O THR A 7 -6.898 5.843 4.007 1.00 0.54 O ATOM 92 CB THR A 7 -8.951 4.668 1.646 1.00 0.62 C ATOM 93 OG1 THR A 7 -7.987 4.499 0.599 1.00 0.85 O ATOM 94 CG2 THR A 7 -10.351 4.685 1.059 1.00 0.83 C ATOM 0 H THR A 7 -7.379 6.473 0.843 1.00 0.50 H new ATOM 0 HA THR A 7 -9.609 6.494 2.550 1.00 0.54 H new ATOM 0 HB THR A 7 -8.879 3.832 2.341 1.00 0.62 H new ATOM 0 HG1 THR A 7 -7.101 4.353 0.991 1.00 0.85 H new ATOM 0 HG21 THR A 7 -10.529 3.758 0.514 1.00 0.83 H new ATOM 0 HG22 THR A 7 -11.081 4.779 1.863 1.00 0.83 H new ATOM 0 HG23 THR A 7 -10.450 5.530 0.378 1.00 0.83 H new ATOM 102 N GLU A 8 -8.897 5.044 4.654 1.00 0.45 N ATOM 103 CA GLU A 8 -8.451 4.662 6.000 1.00 0.44 C ATOM 104 C GLU A 8 -7.040 4.084 5.977 1.00 0.41 C ATOM 105 O GLU A 8 -6.291 4.194 6.947 1.00 0.42 O ATOM 106 CB GLU A 8 -9.397 3.638 6.620 1.00 0.50 C ATOM 107 CG GLU A 8 -10.867 3.984 6.482 1.00 0.52 C ATOM 108 CD GLU A 8 -11.187 5.381 6.980 1.00 1.09 C ATOM 109 OE1 GLU A 8 -11.426 5.538 8.195 1.00 1.94 O ATOM 110 OE2 GLU A 8 -11.197 6.316 6.153 1.00 1.67 O ATOM 0 H GLU A 8 -9.876 4.833 4.462 1.00 0.45 H new ATOM 0 HA GLU A 8 -8.453 5.570 6.604 1.00 0.44 H new ATOM 0 HB2 GLU A 8 -9.219 2.668 6.156 1.00 0.50 H new ATOM 0 HB3 GLU A 8 -9.158 3.534 7.678 1.00 0.50 H new ATOM 0 HG2 GLU A 8 -11.160 3.900 5.435 1.00 0.52 H new ATOM 0 HG3 GLU A 8 -11.461 3.259 7.039 1.00 0.52 H new ATOM 117 N LEU A 9 -6.690 3.469 4.856 1.00 0.41 N ATOM 118 CA LEU A 9 -5.383 2.876 4.683 1.00 0.40 C ATOM 119 C LEU A 9 -4.280 3.872 5.016 1.00 0.38 C ATOM 120 O LEU A 9 -3.172 3.481 5.381 1.00 0.39 O ATOM 121 CB LEU A 9 -5.252 2.409 3.239 1.00 0.45 C ATOM 122 CG LEU A 9 -6.461 1.655 2.687 1.00 0.57 C ATOM 123 CD1 LEU A 9 -6.097 0.903 1.421 1.00 0.93 C ATOM 124 CD2 LEU A 9 -7.050 0.725 3.736 1.00 0.92 C ATOM 0 H LEU A 9 -7.305 3.370 4.048 1.00 0.41 H new ATOM 0 HA LEU A 9 -5.278 2.031 5.363 1.00 0.40 H new ATOM 0 HB2 LEU A 9 -5.067 3.278 2.608 1.00 0.45 H new ATOM 0 HB3 LEU A 9 -4.376 1.766 3.160 1.00 0.45 H new ATOM 0 HG LEU A 9 -7.227 2.386 2.429 1.00 0.57 H new ATOM 0 HD11 LEU A 9 -6.974 0.374 1.047 1.00 0.93 H new ATOM 0 HD12 LEU A 9 -5.749 1.608 0.666 1.00 0.93 H new ATOM 0 HD13 LEU A 9 -5.306 0.185 1.639 1.00 0.93 H new ATOM 0 HD21 LEU A 9 -7.909 0.201 3.317 1.00 0.92 H new ATOM 0 HD22 LEU A 9 -6.297 -0.001 4.043 1.00 0.92 H new ATOM 0 HD23 LEU A 9 -7.367 1.307 4.601 1.00 0.92 H new ATOM 136 N GLU A 10 -4.582 5.168 4.888 1.00 0.38 N ATOM 137 CA GLU A 10 -3.605 6.214 5.205 1.00 0.39 C ATOM 138 C GLU A 10 -2.976 5.920 6.560 1.00 0.38 C ATOM 139 O GLU A 10 -1.763 6.002 6.729 1.00 0.40 O ATOM 140 CB GLU A 10 -4.253 7.601 5.242 1.00 0.46 C ATOM 141 CG GLU A 10 -5.724 7.591 5.596 1.00 0.45 C ATOM 142 CD GLU A 10 -6.077 8.619 6.652 1.00 0.56 C ATOM 143 OE1 GLU A 10 -5.918 9.827 6.381 1.00 1.16 O ATOM 144 OE2 GLU A 10 -6.508 8.215 7.752 1.00 1.27 O ATOM 0 H GLU A 10 -5.487 5.516 4.570 1.00 0.38 H new ATOM 0 HA GLU A 10 -2.846 6.215 4.422 1.00 0.39 H new ATOM 0 HB2 GLU A 10 -3.721 8.219 5.966 1.00 0.46 H new ATOM 0 HB3 GLU A 10 -4.129 8.073 4.268 1.00 0.46 H new ATOM 0 HG2 GLU A 10 -6.311 7.782 4.698 1.00 0.45 H new ATOM 0 HG3 GLU A 10 -6.001 6.599 5.953 1.00 0.45 H new ATOM 151 N ALA A 11 -3.825 5.569 7.525 1.00 0.39 N ATOM 152 CA ALA A 11 -3.356 5.227 8.862 1.00 0.39 C ATOM 153 C ALA A 11 -2.298 4.144 8.765 1.00 0.36 C ATOM 154 O ALA A 11 -1.341 4.116 9.539 1.00 0.39 O ATOM 155 CB ALA A 11 -4.512 4.765 9.736 1.00 0.42 C ATOM 0 H ALA A 11 -4.836 5.515 7.404 1.00 0.39 H new ATOM 0 HA ALA A 11 -2.921 6.114 9.323 1.00 0.39 H new ATOM 0 HB1 ALA A 11 -4.140 4.515 10.729 1.00 0.42 H new ATOM 0 HB2 ALA A 11 -5.250 5.563 9.815 1.00 0.42 H new ATOM 0 HB3 ALA A 11 -4.976 3.885 9.290 1.00 0.42 H new ATOM 161 N ALA A 12 -2.485 3.251 7.801 1.00 0.33 N ATOM 162 CA ALA A 12 -1.538 2.179 7.568 1.00 0.33 C ATOM 163 C ALA A 12 -0.244 2.759 7.022 1.00 0.33 C ATOM 164 O ALA A 12 0.835 2.207 7.235 1.00 0.34 O ATOM 165 CB ALA A 12 -2.113 1.150 6.606 1.00 0.34 C ATOM 0 H ALA A 12 -3.286 3.252 7.170 1.00 0.33 H new ATOM 0 HA ALA A 12 -1.334 1.673 8.512 1.00 0.33 H new ATOM 0 HB1 ALA A 12 -1.385 0.355 6.446 1.00 0.34 H new ATOM 0 HB2 ALA A 12 -3.025 0.727 7.028 1.00 0.34 H new ATOM 0 HB3 ALA A 12 -2.342 1.630 5.654 1.00 0.34 H new ATOM 171 N ILE A 13 -0.363 3.884 6.316 1.00 0.36 N ATOM 172 CA ILE A 13 0.798 4.550 5.756 1.00 0.40 C ATOM 173 C ILE A 13 1.837 4.801 6.857 1.00 0.39 C ATOM 174 O ILE A 13 3.030 4.925 6.586 1.00 0.42 O ATOM 175 CB ILE A 13 0.411 5.874 5.026 1.00 0.47 C ATOM 176 CG1 ILE A 13 1.281 6.056 3.777 1.00 0.90 C ATOM 177 CG2 ILE A 13 0.521 7.104 5.930 1.00 0.99 C ATOM 178 CD1 ILE A 13 2.742 6.304 4.086 1.00 2.05 C ATOM 0 H ILE A 13 -1.251 4.347 6.123 1.00 0.36 H new ATOM 0 HA ILE A 13 1.237 3.895 5.003 1.00 0.40 H new ATOM 0 HB ILE A 13 -0.637 5.787 4.738 1.00 0.47 H new ATOM 0 HG12 ILE A 13 1.196 5.166 3.153 1.00 0.90 H new ATOM 0 HG13 ILE A 13 0.895 6.892 3.194 1.00 0.90 H new ATOM 0 HG21 ILE A 13 0.240 7.995 5.368 1.00 0.99 H new ATOM 0 HG22 ILE A 13 -0.146 6.988 6.785 1.00 0.99 H new ATOM 0 HG23 ILE A 13 1.548 7.206 6.282 1.00 0.99 H new ATOM 0 HD11 ILE A 13 3.296 6.423 3.155 1.00 2.05 H new ATOM 0 HD12 ILE A 13 2.839 7.210 4.684 1.00 2.05 H new ATOM 0 HD13 ILE A 13 3.145 5.458 4.642 1.00 2.05 H new ATOM 190 N GLU A 14 1.355 4.870 8.103 1.00 0.39 N ATOM 191 CA GLU A 14 2.210 5.106 9.260 1.00 0.42 C ATOM 192 C GLU A 14 3.095 3.900 9.559 1.00 0.38 C ATOM 193 O GLU A 14 4.251 4.055 9.951 1.00 0.46 O ATOM 194 CB GLU A 14 1.359 5.443 10.485 1.00 0.46 C ATOM 195 CG GLU A 14 0.522 6.700 10.315 1.00 0.79 C ATOM 196 CD GLU A 14 -0.323 7.008 11.536 1.00 1.46 C ATOM 197 OE1 GLU A 14 -1.443 6.462 11.634 1.00 2.25 O ATOM 198 OE2 GLU A 14 0.133 7.793 12.392 1.00 2.02 O ATOM 0 H GLU A 14 0.367 4.764 8.332 1.00 0.39 H new ATOM 0 HA GLU A 14 2.859 5.950 9.025 1.00 0.42 H new ATOM 0 HB2 GLU A 14 0.699 4.603 10.701 1.00 0.46 H new ATOM 0 HB3 GLU A 14 2.012 5.565 11.349 1.00 0.46 H new ATOM 0 HG2 GLU A 14 1.180 7.545 10.110 1.00 0.79 H new ATOM 0 HG3 GLU A 14 -0.128 6.585 9.448 1.00 0.79 H new ATOM 205 N THR A 15 2.553 2.697 9.385 1.00 0.30 N ATOM 206 CA THR A 15 3.336 1.490 9.632 1.00 0.28 C ATOM 207 C THR A 15 4.389 1.329 8.548 1.00 0.29 C ATOM 208 O THR A 15 5.590 1.322 8.814 1.00 0.35 O ATOM 209 CB THR A 15 2.455 0.227 9.652 1.00 0.28 C ATOM 210 OG1 THR A 15 1.417 0.357 10.631 1.00 0.29 O ATOM 211 CG2 THR A 15 3.290 -1.008 9.957 1.00 0.32 C ATOM 0 H THR A 15 1.594 2.533 9.080 1.00 0.30 H new ATOM 0 HA THR A 15 3.804 1.602 10.610 1.00 0.28 H new ATOM 0 HB THR A 15 2.006 0.115 8.665 1.00 0.28 H new ATOM 0 HG1 THR A 15 0.874 -0.459 10.642 1.00 0.29 H new ATOM 0 HG21 THR A 15 2.647 -1.888 9.966 1.00 0.32 H new ATOM 0 HG22 THR A 15 4.057 -1.127 9.192 1.00 0.32 H new ATOM 0 HG23 THR A 15 3.764 -0.895 10.932 1.00 0.32 H new ATOM 219 N VAL A 16 3.909 1.207 7.322 1.00 0.27 N ATOM 220 CA VAL A 16 4.760 1.053 6.154 1.00 0.28 C ATOM 221 C VAL A 16 5.848 2.121 6.110 1.00 0.30 C ATOM 222 O VAL A 16 6.988 1.841 5.738 1.00 0.36 O ATOM 223 CB VAL A 16 3.902 1.140 4.877 1.00 0.30 C ATOM 224 CG1 VAL A 16 3.078 2.409 4.894 1.00 0.33 C ATOM 225 CG2 VAL A 16 4.748 1.088 3.613 1.00 0.33 C ATOM 0 H VAL A 16 2.912 1.212 7.108 1.00 0.27 H new ATOM 0 HA VAL A 16 5.245 0.079 6.215 1.00 0.28 H new ATOM 0 HB VAL A 16 3.243 0.272 4.866 1.00 0.30 H new ATOM 0 HG11 VAL A 16 2.474 2.463 3.988 1.00 0.33 H new ATOM 0 HG12 VAL A 16 2.424 2.407 5.766 1.00 0.33 H new ATOM 0 HG13 VAL A 16 3.741 3.273 4.940 1.00 0.33 H new ATOM 0 HG21 VAL A 16 4.100 1.152 2.739 1.00 0.33 H new ATOM 0 HG22 VAL A 16 5.448 1.924 3.609 1.00 0.33 H new ATOM 0 HG23 VAL A 16 5.303 0.150 3.585 1.00 0.33 H new ATOM 235 N VAL A 17 5.496 3.343 6.491 1.00 0.31 N ATOM 236 CA VAL A 17 6.451 4.441 6.469 1.00 0.33 C ATOM 237 C VAL A 17 7.431 4.357 7.644 1.00 0.30 C ATOM 238 O VAL A 17 8.594 4.743 7.531 1.00 0.32 O ATOM 239 CB VAL A 17 5.745 5.815 6.496 1.00 0.43 C ATOM 240 CG1 VAL A 17 5.108 6.081 7.852 1.00 0.45 C ATOM 241 CG2 VAL A 17 6.725 6.923 6.138 1.00 0.50 C ATOM 0 H VAL A 17 4.563 3.596 6.816 1.00 0.31 H new ATOM 0 HA VAL A 17 7.005 4.347 5.535 1.00 0.33 H new ATOM 0 HB VAL A 17 4.949 5.799 5.751 1.00 0.43 H new ATOM 0 HG11 VAL A 17 4.619 7.055 7.840 1.00 0.45 H new ATOM 0 HG12 VAL A 17 4.370 5.308 8.065 1.00 0.45 H new ATOM 0 HG13 VAL A 17 5.878 6.071 8.624 1.00 0.45 H new ATOM 0 HG21 VAL A 17 6.212 7.884 6.162 1.00 0.50 H new ATOM 0 HG22 VAL A 17 7.544 6.931 6.857 1.00 0.50 H new ATOM 0 HG23 VAL A 17 7.122 6.748 5.138 1.00 0.50 H new ATOM 251 N SER A 18 6.941 3.863 8.780 1.00 0.33 N ATOM 252 CA SER A 18 7.757 3.742 9.989 1.00 0.40 C ATOM 253 C SER A 18 8.629 2.483 9.987 1.00 0.44 C ATOM 254 O SER A 18 9.564 2.366 10.777 1.00 0.59 O ATOM 255 CB SER A 18 6.855 3.740 11.225 1.00 0.51 C ATOM 256 OG SER A 18 5.960 2.642 11.199 1.00 1.32 O ATOM 0 H SER A 18 5.980 3.539 8.889 1.00 0.33 H new ATOM 0 HA SER A 18 8.427 4.601 10.012 1.00 0.40 H new ATOM 0 HB2 SER A 18 7.467 3.694 12.126 1.00 0.51 H new ATOM 0 HB3 SER A 18 6.292 4.672 11.270 1.00 0.51 H new ATOM 0 HG SER A 18 5.046 2.968 11.059 1.00 1.32 H new ATOM 262 N THR A 19 8.307 1.529 9.138 1.00 0.37 N ATOM 263 CA THR A 19 9.075 0.286 9.078 1.00 0.44 C ATOM 264 C THR A 19 10.331 0.358 8.196 1.00 0.46 C ATOM 265 O THR A 19 11.424 0.680 8.662 1.00 0.54 O ATOM 266 CB THR A 19 8.190 -0.898 8.628 1.00 0.45 C ATOM 267 OG1 THR A 19 7.596 -0.627 7.346 1.00 0.42 O ATOM 268 CG2 THR A 19 7.099 -1.178 9.652 1.00 0.49 C ATOM 0 H THR A 19 7.527 1.582 8.482 1.00 0.37 H new ATOM 0 HA THR A 19 9.422 0.124 10.098 1.00 0.44 H new ATOM 0 HB THR A 19 8.826 -1.779 8.545 1.00 0.45 H new ATOM 0 HG1 THR A 19 7.040 -1.387 7.076 1.00 0.42 H new ATOM 0 HG21 THR A 19 6.489 -2.015 9.314 1.00 0.49 H new ATOM 0 HG22 THR A 19 7.555 -1.425 10.611 1.00 0.49 H new ATOM 0 HG23 THR A 19 6.471 -0.294 9.766 1.00 0.49 H new ATOM 276 N PHE A 20 10.143 0.051 6.923 1.00 0.45 N ATOM 277 CA PHE A 20 11.208 -0.007 5.926 1.00 0.54 C ATOM 278 C PHE A 20 11.534 1.369 5.403 1.00 0.52 C ATOM 279 O PHE A 20 12.671 1.676 5.055 1.00 0.64 O ATOM 280 CB PHE A 20 10.712 -0.933 4.810 1.00 0.60 C ATOM 281 CG PHE A 20 11.281 -0.689 3.444 1.00 0.72 C ATOM 282 CD1 PHE A 20 12.627 -0.852 3.198 1.00 1.60 C ATOM 283 CD2 PHE A 20 10.452 -0.300 2.406 1.00 1.26 C ATOM 284 CE1 PHE A 20 13.142 -0.634 1.939 1.00 1.77 C ATOM 285 CE2 PHE A 20 10.960 -0.077 1.144 1.00 1.37 C ATOM 286 CZ PHE A 20 12.307 -0.245 0.909 1.00 1.18 C ATOM 0 H PHE A 20 9.224 -0.171 6.541 1.00 0.45 H new ATOM 0 HA PHE A 20 12.132 -0.391 6.359 1.00 0.54 H new ATOM 0 HB2 PHE A 20 10.934 -1.962 5.095 1.00 0.60 H new ATOM 0 HB3 PHE A 20 9.627 -0.846 4.750 1.00 0.60 H new ATOM 0 HD1 PHE A 20 13.285 -1.154 4.000 1.00 1.60 H new ATOM 0 HD2 PHE A 20 9.395 -0.170 2.587 1.00 1.26 H new ATOM 0 HE1 PHE A 20 14.198 -0.767 1.757 1.00 1.77 H new ATOM 0 HE2 PHE A 20 10.304 0.228 0.342 1.00 1.37 H new ATOM 0 HZ PHE A 20 12.710 -0.073 -0.078 1.00 1.18 H new ATOM 296 N PHE A 21 10.515 2.174 5.338 1.00 0.44 N ATOM 297 CA PHE A 21 10.638 3.522 4.867 1.00 0.47 C ATOM 298 C PHE A 21 11.459 4.349 5.821 1.00 0.49 C ATOM 299 O PHE A 21 11.946 5.421 5.468 1.00 0.62 O ATOM 300 CB PHE A 21 9.238 4.074 4.691 1.00 0.48 C ATOM 301 CG PHE A 21 8.500 3.477 3.512 1.00 0.45 C ATOM 302 CD1 PHE A 21 9.032 2.401 2.808 1.00 1.39 C ATOM 303 CD2 PHE A 21 7.267 3.978 3.118 1.00 1.16 C ATOM 304 CE1 PHE A 21 8.349 1.845 1.746 1.00 1.44 C ATOM 305 CE2 PHE A 21 6.586 3.421 2.055 1.00 1.13 C ATOM 306 CZ PHE A 21 7.125 2.354 1.371 1.00 0.54 C ATOM 0 H PHE A 21 9.568 1.912 5.612 1.00 0.44 H new ATOM 0 HA PHE A 21 11.163 3.553 3.912 1.00 0.47 H new ATOM 0 HB2 PHE A 21 8.666 3.889 5.600 1.00 0.48 H new ATOM 0 HB3 PHE A 21 9.295 5.155 4.565 1.00 0.48 H new ATOM 0 HD1 PHE A 21 9.991 1.996 3.096 1.00 1.39 H new ATOM 0 HD2 PHE A 21 6.836 4.813 3.650 1.00 1.16 H new ATOM 0 HE1 PHE A 21 8.774 1.010 1.208 1.00 1.44 H new ATOM 0 HE2 PHE A 21 5.628 3.823 1.759 1.00 1.13 H new ATOM 0 HZ PHE A 21 6.589 1.917 0.542 1.00 0.54 H new ATOM 316 N THR A 22 11.615 3.863 7.038 1.00 0.47 N ATOM 317 CA THR A 22 12.443 4.579 7.985 1.00 0.54 C ATOM 318 C THR A 22 13.903 4.392 7.625 1.00 0.49 C ATOM 319 O THR A 22 14.765 5.140 8.087 1.00 0.54 O ATOM 320 CB THR A 22 12.211 4.141 9.420 1.00 0.66 C ATOM 321 OG1 THR A 22 12.392 2.741 9.505 1.00 0.66 O ATOM 322 CG2 THR A 22 10.823 4.552 9.865 1.00 0.81 C ATOM 0 H THR A 22 11.193 3.002 7.386 1.00 0.47 H new ATOM 0 HA THR A 22 12.166 5.631 7.923 1.00 0.54 H new ATOM 0 HB THR A 22 12.926 4.625 10.085 1.00 0.66 H new ATOM 0 HG1 THR A 22 11.593 2.287 9.165 1.00 0.66 H new ATOM 0 HG21 THR A 22 10.662 4.235 10.895 1.00 0.81 H new ATOM 0 HG22 THR A 22 10.726 5.636 9.799 1.00 0.81 H new ATOM 0 HG23 THR A 22 10.080 4.082 9.221 1.00 0.81 H new ATOM 330 N PHE A 23 14.188 3.383 6.793 1.00 0.49 N ATOM 331 CA PHE A 23 15.557 3.163 6.358 1.00 0.51 C ATOM 332 C PHE A 23 16.009 4.393 5.564 1.00 0.44 C ATOM 333 O PHE A 23 17.201 4.656 5.421 1.00 0.45 O ATOM 334 CB PHE A 23 15.681 1.816 5.600 1.00 0.68 C ATOM 335 CG PHE A 23 16.122 1.850 4.164 1.00 0.61 C ATOM 336 CD1 PHE A 23 17.322 2.439 3.784 1.00 1.46 C ATOM 337 CD2 PHE A 23 15.361 1.215 3.201 1.00 1.47 C ATOM 338 CE1 PHE A 23 17.745 2.391 2.478 1.00 1.93 C ATOM 339 CE2 PHE A 23 15.776 1.183 1.890 1.00 1.88 C ATOM 340 CZ PHE A 23 16.969 1.765 1.532 1.00 1.82 C ATOM 0 H PHE A 23 13.503 2.726 6.420 1.00 0.49 H new ATOM 0 HA PHE A 23 16.236 3.061 7.205 1.00 0.51 H new ATOM 0 HB2 PHE A 23 16.382 1.188 6.149 1.00 0.68 H new ATOM 0 HB3 PHE A 23 14.711 1.321 5.639 1.00 0.68 H new ATOM 0 HD1 PHE A 23 17.929 2.940 4.524 1.00 1.46 H new ATOM 0 HD2 PHE A 23 14.432 0.740 3.480 1.00 1.47 H new ATOM 0 HE1 PHE A 23 18.684 2.844 2.196 1.00 1.93 H new ATOM 0 HE2 PHE A 23 15.165 0.701 1.142 1.00 1.88 H new ATOM 0 HZ PHE A 23 17.298 1.730 0.504 1.00 1.82 H new ATOM 350 N ALA A 24 15.033 5.192 5.097 1.00 0.50 N ATOM 351 CA ALA A 24 15.328 6.439 4.389 1.00 0.58 C ATOM 352 C ALA A 24 16.366 7.212 5.167 1.00 0.60 C ATOM 353 O ALA A 24 17.308 7.785 4.619 1.00 0.65 O ATOM 354 CB ALA A 24 14.076 7.301 4.283 1.00 0.71 C ATOM 0 H ALA A 24 14.038 4.993 5.199 1.00 0.50 H new ATOM 0 HA ALA A 24 15.689 6.196 3.390 1.00 0.58 H new ATOM 0 HB1 ALA A 24 14.313 8.224 3.754 1.00 0.71 H new ATOM 0 HB2 ALA A 24 13.305 6.757 3.737 1.00 0.71 H new ATOM 0 HB3 ALA A 24 13.712 7.539 5.283 1.00 0.71 H new ATOM 360 N GLY A 25 16.151 7.205 6.471 1.00 0.68 N ATOM 361 CA GLY A 25 17.031 7.881 7.393 1.00 0.81 C ATOM 362 C GLY A 25 18.494 7.629 7.088 1.00 0.71 C ATOM 363 O GLY A 25 19.350 8.450 7.418 1.00 0.80 O ATOM 0 H GLY A 25 15.364 6.731 6.914 1.00 0.68 H new ATOM 0 HA2 GLY A 25 16.835 8.953 7.358 1.00 0.81 H new ATOM 0 HA3 GLY A 25 16.812 7.550 8.408 1.00 0.81 H new ATOM 367 N ARG A 26 18.789 6.487 6.453 1.00 0.60 N ATOM 368 CA ARG A 26 20.164 6.150 6.075 1.00 0.59 C ATOM 369 C ARG A 26 20.831 7.378 5.468 1.00 0.57 C ATOM 370 O ARG A 26 21.885 7.827 5.921 1.00 0.71 O ATOM 371 CB ARG A 26 20.169 4.997 5.067 1.00 0.61 C ATOM 372 CG ARG A 26 21.533 4.746 4.441 1.00 1.17 C ATOM 373 CD ARG A 26 21.993 3.315 4.656 1.00 0.97 C ATOM 374 NE ARG A 26 22.118 2.987 6.074 1.00 1.55 N ATOM 375 CZ ARG A 26 22.862 1.987 6.536 1.00 1.95 C ATOM 376 NH1 ARG A 26 23.541 1.218 5.696 1.00 2.01 N ATOM 377 NH2 ARG A 26 22.928 1.756 7.840 1.00 2.82 N ATOM 0 H ARG A 26 18.096 5.785 6.192 1.00 0.60 H new ATOM 0 HA ARG A 26 20.716 5.836 6.961 1.00 0.59 H new ATOM 0 HB2 ARG A 26 19.833 4.087 5.565 1.00 0.61 H new ATOM 0 HB3 ARG A 26 19.449 5.212 4.277 1.00 0.61 H new ATOM 0 HG2 ARG A 26 21.488 4.957 3.373 1.00 1.17 H new ATOM 0 HG3 ARG A 26 22.263 5.432 4.871 1.00 1.17 H new ATOM 0 HD2 ARG A 26 21.284 2.632 4.187 1.00 0.97 H new ATOM 0 HD3 ARG A 26 22.954 3.165 4.163 1.00 0.97 H new ATOM 0 HE ARG A 26 21.606 3.557 6.747 1.00 1.55 H new ATOM 0 HH11 ARG A 26 23.493 1.393 4.692 1.00 2.01 H new ATOM 0 HH12 ARG A 26 24.111 0.451 6.054 1.00 2.01 H new ATOM 0 HH21 ARG A 26 22.408 2.346 8.489 1.00 2.82 H new ATOM 0 HH22 ARG A 26 23.499 0.988 8.194 1.00 2.82 H new ATOM 391 N GLU A 27 20.191 7.904 4.438 1.00 0.50 N ATOM 392 CA GLU A 27 20.646 9.113 3.780 1.00 0.58 C ATOM 393 C GLU A 27 19.438 9.826 3.206 1.00 0.80 C ATOM 394 O GLU A 27 19.093 9.654 2.037 1.00 1.27 O ATOM 395 CB GLU A 27 21.648 8.784 2.670 1.00 0.98 C ATOM 396 CG GLU A 27 21.182 7.674 1.743 1.00 0.85 C ATOM 397 CD GLU A 27 22.196 7.354 0.663 1.00 1.09 C ATOM 398 OE1 GLU A 27 22.129 7.974 -0.419 1.00 1.78 O ATOM 399 OE2 GLU A 27 23.059 6.483 0.899 1.00 1.63 O ATOM 0 H GLU A 27 19.343 7.505 4.036 1.00 0.50 H new ATOM 0 HA GLU A 27 21.152 9.755 4.501 1.00 0.58 H new ATOM 0 HB2 GLU A 27 21.835 9.683 2.082 1.00 0.98 H new ATOM 0 HB3 GLU A 27 22.597 8.495 3.122 1.00 0.98 H new ATOM 0 HG2 GLU A 27 20.984 6.776 2.328 1.00 0.85 H new ATOM 0 HG3 GLU A 27 20.240 7.965 1.278 1.00 0.85 H new ATOM 406 N GLY A 28 18.792 10.623 4.044 1.00 1.33 N ATOM 407 CA GLY A 28 17.619 11.343 3.614 1.00 1.88 C ATOM 408 C GLY A 28 17.356 12.584 4.424 1.00 1.36 C ATOM 409 O GLY A 28 16.305 12.694 5.054 1.00 1.58 O ATOM 0 H GLY A 28 19.062 10.782 5.015 1.00 1.33 H new ATOM 0 HA2 GLY A 28 17.734 11.619 2.566 1.00 1.88 H new ATOM 0 HA3 GLY A 28 16.753 10.685 3.678 1.00 1.88 H new ATOM 413 N ARG A 29 18.293 13.526 4.429 1.00 1.16 N ATOM 414 CA ARG A 29 18.096 14.761 5.181 1.00 1.06 C ATOM 415 C ARG A 29 16.712 15.326 4.878 1.00 1.13 C ATOM 416 O ARG A 29 15.850 15.413 5.752 1.00 1.73 O ATOM 417 CB ARG A 29 19.171 15.790 4.825 1.00 1.38 C ATOM 418 CG ARG A 29 18.921 17.162 5.430 1.00 1.78 C ATOM 419 CD ARG A 29 19.767 18.230 4.758 1.00 2.37 C ATOM 420 NE ARG A 29 21.195 17.952 4.872 1.00 2.89 N ATOM 421 CZ ARG A 29 22.140 18.710 4.326 1.00 3.59 C ATOM 422 NH1 ARG A 29 21.806 19.786 3.626 1.00 3.91 N ATOM 423 NH2 ARG A 29 23.418 18.393 4.477 1.00 4.31 N ATOM 0 H ARG A 29 19.181 13.462 3.931 1.00 1.16 H new ATOM 0 HA ARG A 29 18.174 14.540 6.245 1.00 1.06 H new ATOM 0 HB2 ARG A 29 20.140 15.423 5.164 1.00 1.38 H new ATOM 0 HB3 ARG A 29 19.227 15.885 3.741 1.00 1.38 H new ATOM 0 HG2 ARG A 29 17.866 17.417 5.332 1.00 1.78 H new ATOM 0 HG3 ARG A 29 19.145 17.137 6.496 1.00 1.78 H new ATOM 0 HD2 ARG A 29 19.494 18.298 3.705 1.00 2.37 H new ATOM 0 HD3 ARG A 29 19.550 19.199 5.207 1.00 2.37 H new ATOM 0 HE ARG A 29 21.484 17.129 5.401 1.00 2.89 H new ATOM 0 HH11 ARG A 29 20.823 20.032 3.507 1.00 3.91 H new ATOM 0 HH12 ARG A 29 22.532 20.367 3.207 1.00 3.91 H new ATOM 0 HH21 ARG A 29 23.678 17.565 5.013 1.00 4.31 H new ATOM 0 HH22 ARG A 29 24.141 18.977 4.057 1.00 4.31 H new ATOM 437 N LYS A 30 16.525 15.702 3.625 1.00 1.04 N ATOM 438 CA LYS A 30 15.254 16.219 3.153 1.00 1.47 C ATOM 439 C LYS A 30 14.992 15.704 1.744 1.00 1.32 C ATOM 440 O LYS A 30 14.396 16.398 0.920 1.00 1.64 O ATOM 441 CB LYS A 30 15.252 17.749 3.165 1.00 2.03 C ATOM 442 CG LYS A 30 15.176 18.351 4.558 1.00 2.65 C ATOM 443 CD LYS A 30 15.107 19.869 4.504 1.00 3.51 C ATOM 444 CE LYS A 30 14.972 20.473 5.892 1.00 4.01 C ATOM 445 NZ LYS A 30 14.854 21.956 5.842 1.00 4.77 N ATOM 0 H LYS A 30 17.249 15.657 2.908 1.00 1.04 H new ATOM 0 HA LYS A 30 14.463 15.875 3.820 1.00 1.47 H new ATOM 0 HB2 LYS A 30 16.156 18.108 2.673 1.00 2.03 H new ATOM 0 HB3 LYS A 30 14.406 18.107 2.578 1.00 2.03 H new ATOM 0 HG2 LYS A 30 14.299 17.964 5.076 1.00 2.65 H new ATOM 0 HG3 LYS A 30 16.048 18.045 5.136 1.00 2.65 H new ATOM 0 HD2 LYS A 30 16.005 20.258 4.023 1.00 3.51 H new ATOM 0 HD3 LYS A 30 14.259 20.174 3.890 1.00 3.51 H new ATOM 0 HE2 LYS A 30 14.095 20.055 6.386 1.00 4.01 H new ATOM 0 HE3 LYS A 30 15.838 20.198 6.494 1.00 4.01 H new ATOM 0 HZ1 LYS A 30 14.764 22.330 6.808 1.00 4.77 H new ATOM 0 HZ2 LYS A 30 15.702 22.357 5.393 1.00 4.77 H new ATOM 0 HZ3 LYS A 30 14.013 22.219 5.289 1.00 4.77 H new ATOM 459 N GLY A 31 15.435 14.476 1.473 1.00 0.95 N ATOM 460 CA GLY A 31 15.258 13.913 0.146 1.00 0.88 C ATOM 461 C GLY A 31 14.553 12.591 0.150 1.00 0.80 C ATOM 462 O GLY A 31 13.341 12.549 0.305 1.00 0.85 O ATOM 0 H GLY A 31 15.908 13.868 2.142 1.00 0.95 H new ATOM 0 HA2 GLY A 31 14.693 14.616 -0.466 1.00 0.88 H new ATOM 0 HA3 GLY A 31 16.235 13.794 -0.324 1.00 0.88 H new ATOM 466 N SER A 32 15.293 11.506 -0.053 1.00 0.74 N ATOM 467 CA SER A 32 14.673 10.195 -0.088 1.00 0.71 C ATOM 468 C SER A 32 15.497 9.080 0.523 1.00 0.70 C ATOM 469 O SER A 32 16.604 9.266 1.027 1.00 0.74 O ATOM 470 CB SER A 32 14.318 9.806 -1.518 1.00 0.68 C ATOM 471 OG SER A 32 15.177 10.436 -2.451 1.00 1.10 O ATOM 0 H SER A 32 16.303 11.510 -0.193 1.00 0.74 H new ATOM 0 HA SER A 32 13.781 10.301 0.529 1.00 0.71 H new ATOM 0 HB2 SER A 32 14.386 8.724 -1.630 1.00 0.68 H new ATOM 0 HB3 SER A 32 13.285 10.083 -1.727 1.00 0.68 H new ATOM 0 HG SER A 32 14.995 11.399 -2.465 1.00 1.10 H new ATOM 477 N LEU A 33 14.886 7.907 0.446 1.00 0.72 N ATOM 478 CA LEU A 33 15.453 6.658 0.892 1.00 0.74 C ATOM 479 C LEU A 33 16.084 6.027 -0.316 1.00 0.56 C ATOM 480 O LEU A 33 15.648 6.298 -1.435 1.00 0.52 O ATOM 481 CB LEU A 33 14.354 5.744 1.410 1.00 0.99 C ATOM 482 CG LEU A 33 14.704 4.266 1.534 1.00 1.19 C ATOM 483 CD1 LEU A 33 13.961 3.665 2.713 1.00 1.93 C ATOM 484 CD2 LEU A 33 14.353 3.535 0.242 1.00 1.69 C ATOM 0 H LEU A 33 13.949 7.803 0.056 1.00 0.72 H new ATOM 0 HA LEU A 33 16.174 6.819 1.693 1.00 0.74 H new ATOM 0 HB2 LEU A 33 14.043 6.105 2.391 1.00 0.99 H new ATOM 0 HB3 LEU A 33 13.493 5.837 0.749 1.00 0.99 H new ATOM 0 HG LEU A 33 15.775 4.159 1.705 1.00 1.19 H new ATOM 0 HD11 LEU A 33 14.212 2.608 2.801 1.00 1.93 H new ATOM 0 HD12 LEU A 33 14.249 4.184 3.627 1.00 1.93 H new ATOM 0 HD13 LEU A 33 12.887 3.771 2.559 1.00 1.93 H new ATOM 0 HD21 LEU A 33 14.607 2.480 0.341 1.00 1.69 H new ATOM 0 HD22 LEU A 33 13.285 3.635 0.046 1.00 1.69 H new ATOM 0 HD23 LEU A 33 14.916 3.968 -0.585 1.00 1.69 H new ATOM 496 N ASN A 34 17.092 5.195 -0.138 1.00 0.57 N ATOM 497 CA ASN A 34 17.740 4.639 -1.300 1.00 0.47 C ATOM 498 C ASN A 34 17.635 3.118 -1.340 1.00 0.41 C ATOM 499 O ASN A 34 16.532 2.581 -1.262 1.00 0.56 O ATOM 500 CB ASN A 34 19.179 5.139 -1.304 1.00 0.56 C ATOM 501 CG ASN A 34 19.970 4.623 -0.119 1.00 1.37 C ATOM 502 OD1 ASN A 34 20.642 3.597 -0.208 1.00 2.12 O ATOM 503 ND2 ASN A 34 19.884 5.327 1.002 1.00 2.11 N ATOM 0 H ASN A 34 17.466 4.900 0.764 1.00 0.57 H new ATOM 0 HA ASN A 34 17.241 4.971 -2.210 1.00 0.47 H new ATOM 0 HB2 ASN A 34 19.667 4.827 -2.227 1.00 0.56 H new ATOM 0 HB3 ASN A 34 19.183 6.229 -1.294 1.00 0.56 H new ATOM 0 HD21 ASN A 34 20.388 5.023 1.835 1.00 2.11 H new ATOM 0 HD22 ASN A 34 19.314 6.173 1.031 1.00 2.11 H new ATOM 510 N ILE A 35 18.755 2.415 -1.509 1.00 0.54 N ATOM 511 CA ILE A 35 18.727 0.975 -1.536 1.00 0.54 C ATOM 512 C ILE A 35 19.878 0.374 -0.749 1.00 0.56 C ATOM 513 O ILE A 35 20.352 -0.722 -1.047 1.00 0.63 O ATOM 514 CB ILE A 35 18.713 0.417 -2.972 1.00 0.60 C ATOM 515 CG1 ILE A 35 19.505 1.323 -3.922 1.00 0.70 C ATOM 516 CG2 ILE A 35 17.278 0.265 -3.448 1.00 0.66 C ATOM 517 CD1 ILE A 35 18.803 2.627 -4.245 1.00 1.05 C ATOM 0 H ILE A 35 19.681 2.827 -1.627 1.00 0.54 H new ATOM 0 HA ILE A 35 17.793 0.681 -1.056 1.00 0.54 H new ATOM 0 HB ILE A 35 19.193 -0.561 -2.971 1.00 0.60 H new ATOM 0 HG12 ILE A 35 20.475 1.543 -3.476 1.00 0.70 H new ATOM 0 HG13 ILE A 35 19.696 0.784 -4.850 1.00 0.70 H new ATOM 0 HG21 ILE A 35 17.272 -0.130 -4.464 1.00 0.66 H new ATOM 0 HG22 ILE A 35 16.747 -0.421 -2.789 1.00 0.66 H new ATOM 0 HG23 ILE A 35 16.785 1.237 -3.433 1.00 0.66 H new ATOM 0 HD11 ILE A 35 19.422 3.216 -4.922 1.00 1.05 H new ATOM 0 HD12 ILE A 35 17.845 2.416 -4.720 1.00 1.05 H new ATOM 0 HD13 ILE A 35 18.636 3.188 -3.325 1.00 1.05 H new ATOM 529 N ASN A 36 20.315 1.103 0.267 1.00 0.59 N ATOM 530 CA ASN A 36 21.384 0.645 1.135 1.00 0.63 C ATOM 531 C ASN A 36 20.809 -0.306 2.153 1.00 0.59 C ATOM 532 O ASN A 36 21.110 -1.499 2.141 1.00 0.59 O ATOM 533 CB ASN A 36 22.068 1.822 1.833 1.00 0.70 C ATOM 534 CG ASN A 36 22.890 2.679 0.884 1.00 1.33 C ATOM 535 OD1 ASN A 36 22.860 3.908 0.961 1.00 2.15 O ATOM 536 ND2 ASN A 36 23.644 2.040 -0.007 1.00 1.89 N ATOM 0 H ASN A 36 19.941 2.020 0.510 1.00 0.59 H new ATOM 0 HA ASN A 36 22.138 0.135 0.535 1.00 0.63 H new ATOM 0 HB2 ASN A 36 21.311 2.443 2.312 1.00 0.70 H new ATOM 0 HB3 ASN A 36 22.715 1.442 2.624 1.00 0.70 H new ATOM 0 HD21 ASN A 36 24.224 2.570 -0.657 1.00 1.89 H new ATOM 0 HD22 ASN A 36 23.642 1.021 -0.039 1.00 1.89 H new ATOM 543 N GLU A 37 19.976 0.211 3.042 1.00 0.57 N ATOM 544 CA GLU A 37 19.354 -0.658 4.012 1.00 0.56 C ATOM 545 C GLU A 37 18.305 -1.501 3.311 1.00 0.50 C ATOM 546 O GLU A 37 17.833 -2.494 3.862 1.00 0.52 O ATOM 547 CB GLU A 37 18.759 0.102 5.181 1.00 0.66 C ATOM 548 CG GLU A 37 19.569 1.321 5.554 1.00 0.75 C ATOM 549 CD GLU A 37 19.082 1.981 6.829 1.00 0.76 C ATOM 550 OE1 GLU A 37 19.483 1.530 7.922 1.00 1.40 O ATOM 551 OE2 GLU A 37 18.299 2.949 6.734 1.00 1.29 O ATOM 0 H GLU A 37 19.724 1.197 3.108 1.00 0.57 H new ATOM 0 HA GLU A 37 20.122 -1.303 4.439 1.00 0.56 H new ATOM 0 HB2 GLU A 37 17.743 0.408 4.931 1.00 0.66 H new ATOM 0 HB3 GLU A 37 18.689 -0.561 6.043 1.00 0.66 H new ATOM 0 HG2 GLU A 37 20.614 1.035 5.674 1.00 0.75 H new ATOM 0 HG3 GLU A 37 19.528 2.043 4.738 1.00 0.75 H new ATOM 558 N PHE A 38 17.915 -1.104 2.081 1.00 0.46 N ATOM 559 CA PHE A 38 16.989 -1.905 1.322 1.00 0.42 C ATOM 560 C PHE A 38 17.600 -3.294 1.193 1.00 0.45 C ATOM 561 O PHE A 38 16.899 -4.292 1.109 1.00 0.45 O ATOM 562 CB PHE A 38 16.742 -1.282 -0.058 1.00 0.43 C ATOM 563 CG PHE A 38 15.617 -1.908 -0.826 1.00 0.41 C ATOM 564 CD1 PHE A 38 15.648 -3.240 -1.193 1.00 1.21 C ATOM 565 CD2 PHE A 38 14.522 -1.148 -1.178 1.00 1.30 C ATOM 566 CE1 PHE A 38 14.599 -3.803 -1.896 1.00 1.21 C ATOM 567 CE2 PHE A 38 13.469 -1.700 -1.880 1.00 1.32 C ATOM 568 CZ PHE A 38 13.507 -3.031 -2.239 1.00 0.45 C ATOM 0 H PHE A 38 18.230 -0.251 1.619 1.00 0.46 H new ATOM 0 HA PHE A 38 16.022 -1.960 1.823 1.00 0.42 H new ATOM 0 HB2 PHE A 38 16.533 -0.220 0.068 1.00 0.43 H new ATOM 0 HB3 PHE A 38 17.656 -1.359 -0.647 1.00 0.43 H new ATOM 0 HD1 PHE A 38 16.501 -3.848 -0.928 1.00 1.21 H new ATOM 0 HD2 PHE A 38 14.487 -0.105 -0.900 1.00 1.30 H new ATOM 0 HE1 PHE A 38 14.634 -4.845 -2.176 1.00 1.21 H new ATOM 0 HE2 PHE A 38 12.618 -1.091 -2.147 1.00 1.32 H new ATOM 0 HZ PHE A 38 12.685 -3.468 -2.787 1.00 0.45 H new ATOM 578 N LYS A 39 18.940 -3.338 1.255 1.00 0.49 N ATOM 579 CA LYS A 39 19.673 -4.590 1.190 1.00 0.53 C ATOM 580 C LYS A 39 19.291 -5.504 2.338 1.00 0.53 C ATOM 581 O LYS A 39 19.603 -6.692 2.346 1.00 0.56 O ATOM 582 CB LYS A 39 21.171 -4.324 1.174 1.00 0.61 C ATOM 583 CG LYS A 39 21.551 -3.294 0.140 1.00 0.67 C ATOM 584 CD LYS A 39 22.267 -3.922 -1.045 1.00 0.71 C ATOM 585 CE LYS A 39 23.611 -4.506 -0.639 1.00 1.47 C ATOM 586 NZ LYS A 39 24.530 -3.464 -0.100 1.00 1.80 N ATOM 0 H LYS A 39 19.530 -2.512 1.350 1.00 0.49 H new ATOM 0 HA LYS A 39 19.406 -5.098 0.263 1.00 0.53 H new ATOM 0 HB2 LYS A 39 21.489 -3.983 2.159 1.00 0.61 H new ATOM 0 HB3 LYS A 39 21.702 -5.254 0.972 1.00 0.61 H new ATOM 0 HG2 LYS A 39 20.655 -2.780 -0.207 1.00 0.67 H new ATOM 0 HG3 LYS A 39 22.194 -2.541 0.596 1.00 0.67 H new ATOM 0 HD2 LYS A 39 21.643 -4.706 -1.474 1.00 0.71 H new ATOM 0 HD3 LYS A 39 22.415 -3.171 -1.821 1.00 0.71 H new ATOM 0 HE2 LYS A 39 23.458 -5.280 0.114 1.00 1.47 H new ATOM 0 HE3 LYS A 39 24.073 -4.987 -1.501 1.00 1.47 H new ATOM 0 HZ1 LYS A 39 25.500 -3.837 -0.074 1.00 1.80 H new ATOM 0 HZ2 LYS A 39 24.499 -2.624 -0.712 1.00 1.80 H new ATOM 0 HZ3 LYS A 39 24.233 -3.203 0.862 1.00 1.80 H new ATOM 600 N GLU A 40 18.670 -4.908 3.323 1.00 0.52 N ATOM 601 CA GLU A 40 18.154 -5.623 4.479 1.00 0.56 C ATOM 602 C GLU A 40 16.781 -6.217 4.141 1.00 0.54 C ATOM 603 O GLU A 40 16.229 -7.014 4.898 1.00 0.60 O ATOM 604 CB GLU A 40 18.046 -4.672 5.670 1.00 0.60 C ATOM 605 CG GLU A 40 19.293 -3.838 5.864 1.00 1.09 C ATOM 606 CD GLU A 40 20.498 -4.668 6.262 1.00 1.91 C ATOM 607 OE1 GLU A 40 21.223 -5.133 5.358 1.00 2.62 O ATOM 608 OE2 GLU A 40 20.716 -4.851 7.478 1.00 2.43 O ATOM 0 H GLU A 40 18.503 -3.902 3.353 1.00 0.52 H new ATOM 0 HA GLU A 40 18.835 -6.433 4.742 1.00 0.56 H new ATOM 0 HB2 GLU A 40 17.191 -4.012 5.527 1.00 0.60 H new ATOM 0 HB3 GLU A 40 17.855 -5.249 6.575 1.00 0.60 H new ATOM 0 HG2 GLU A 40 19.515 -3.303 4.940 1.00 1.09 H new ATOM 0 HG3 GLU A 40 19.106 -3.086 6.631 1.00 1.09 H new ATOM 615 N LEU A 41 16.238 -5.799 2.992 1.00 0.49 N ATOM 616 CA LEU A 41 14.933 -6.261 2.526 1.00 0.50 C ATOM 617 C LEU A 41 14.966 -7.731 2.111 1.00 0.55 C ATOM 618 O LEU A 41 14.795 -8.607 2.956 1.00 0.62 O ATOM 619 CB LEU A 41 14.427 -5.396 1.356 1.00 0.46 C ATOM 620 CG LEU A 41 14.214 -3.893 1.619 1.00 0.44 C ATOM 621 CD1 LEU A 41 12.951 -3.422 0.927 1.00 0.55 C ATOM 622 CD2 LEU A 41 14.160 -3.553 3.108 1.00 0.66 C ATOM 0 H LEU A 41 16.691 -5.134 2.365 1.00 0.49 H new ATOM 0 HA LEU A 41 14.243 -6.162 3.364 1.00 0.50 H new ATOM 0 HB2 LEU A 41 15.135 -5.496 0.534 1.00 0.46 H new ATOM 0 HB3 LEU A 41 13.480 -5.814 1.014 1.00 0.46 H new ATOM 0 HG LEU A 41 15.078 -3.370 1.209 1.00 0.44 H new ATOM 0 HD11 LEU A 41 12.807 -2.358 1.117 1.00 0.55 H new ATOM 0 HD12 LEU A 41 13.040 -3.590 -0.146 1.00 0.55 H new ATOM 0 HD13 LEU A 41 12.096 -3.979 1.312 1.00 0.55 H new ATOM 0 HD21 LEU A 41 14.008 -2.481 3.231 1.00 0.66 H new ATOM 0 HD22 LEU A 41 13.335 -4.092 3.575 1.00 0.66 H new ATOM 0 HD23 LEU A 41 15.098 -3.844 3.582 1.00 0.66 H new ATOM 634 N ALA A 42 15.181 -8.012 0.810 1.00 0.55 N ATOM 635 CA ALA A 42 15.220 -9.385 0.308 1.00 0.61 C ATOM 636 C ALA A 42 15.915 -10.321 1.279 1.00 0.67 C ATOM 637 O ALA A 42 15.497 -11.451 1.480 1.00 0.74 O ATOM 638 CB ALA A 42 15.935 -9.433 -1.015 1.00 0.65 C ATOM 0 H ALA A 42 15.329 -7.301 0.094 1.00 0.55 H new ATOM 0 HA ALA A 42 14.188 -9.715 0.190 1.00 0.61 H new ATOM 0 HB1 ALA A 42 15.958 -10.460 -1.379 1.00 0.65 H new ATOM 0 HB2 ALA A 42 15.411 -8.804 -1.735 1.00 0.65 H new ATOM 0 HB3 ALA A 42 16.955 -9.069 -0.891 1.00 0.65 H new ATOM 644 N THR A 43 16.945 -9.803 1.912 1.00 0.66 N ATOM 645 CA THR A 43 17.745 -10.553 2.839 1.00 0.73 C ATOM 646 C THR A 43 16.903 -11.091 3.985 1.00 0.78 C ATOM 647 O THR A 43 16.839 -12.299 4.215 1.00 0.86 O ATOM 648 CB THR A 43 18.849 -9.641 3.389 1.00 0.72 C ATOM 649 OG1 THR A 43 18.333 -8.312 3.577 1.00 0.66 O ATOM 650 CG2 THR A 43 20.043 -9.596 2.449 1.00 0.75 C ATOM 0 H THR A 43 17.249 -8.837 1.792 1.00 0.66 H new ATOM 0 HA THR A 43 18.182 -11.405 2.318 1.00 0.73 H new ATOM 0 HB THR A 43 19.180 -10.047 4.345 1.00 0.72 H new ATOM 0 HG1 THR A 43 18.575 -7.755 2.808 1.00 0.66 H new ATOM 0 HG21 THR A 43 20.809 -8.942 2.865 1.00 0.75 H new ATOM 0 HG22 THR A 43 20.449 -10.600 2.329 1.00 0.75 H new ATOM 0 HG23 THR A 43 19.728 -9.214 1.478 1.00 0.75 H new ATOM 658 N GLN A 44 16.264 -10.181 4.703 1.00 0.77 N ATOM 659 CA GLN A 44 15.427 -10.532 5.822 1.00 0.85 C ATOM 660 C GLN A 44 14.054 -10.996 5.369 1.00 0.85 C ATOM 661 O GLN A 44 13.464 -11.893 5.972 1.00 0.94 O ATOM 662 CB GLN A 44 15.291 -9.336 6.759 1.00 0.88 C ATOM 663 CG GLN A 44 16.623 -8.697 7.114 1.00 1.54 C ATOM 664 CD GLN A 44 16.461 -7.405 7.889 1.00 2.05 C ATOM 665 OE1 GLN A 44 15.475 -6.688 7.725 1.00 2.54 O ATOM 666 NE2 GLN A 44 17.435 -7.102 8.738 1.00 2.75 N ATOM 0 H GLN A 44 16.316 -9.179 4.520 1.00 0.77 H new ATOM 0 HA GLN A 44 15.900 -11.360 6.350 1.00 0.85 H new ATOM 0 HB2 GLN A 44 14.650 -8.588 6.292 1.00 0.88 H new ATOM 0 HB3 GLN A 44 14.793 -9.655 7.675 1.00 0.88 H new ATOM 0 HG2 GLN A 44 17.213 -9.399 7.704 1.00 1.54 H new ATOM 0 HG3 GLN A 44 17.183 -8.500 6.200 1.00 1.54 H new ATOM 0 HE21 GLN A 44 18.234 -7.727 8.841 1.00 2.75 H new ATOM 0 HE22 GLN A 44 17.384 -6.244 9.287 1.00 2.75 H new ATOM 675 N GLN A 45 13.545 -10.397 4.300 1.00 0.78 N ATOM 676 CA GLN A 45 12.228 -10.777 3.805 1.00 0.83 C ATOM 677 C GLN A 45 12.319 -12.058 2.990 1.00 0.79 C ATOM 678 O GLN A 45 11.296 -12.659 2.657 1.00 0.80 O ATOM 679 CB GLN A 45 11.584 -9.644 3.001 1.00 0.93 C ATOM 680 CG GLN A 45 12.087 -9.516 1.577 1.00 0.97 C ATOM 681 CD GLN A 45 11.058 -8.891 0.671 1.00 1.36 C ATOM 682 OE1 GLN A 45 10.081 -9.528 0.291 1.00 2.34 O ATOM 683 NE2 GLN A 45 11.276 -7.640 0.313 1.00 1.43 N ATOM 0 H GLN A 45 14.012 -9.662 3.769 1.00 0.78 H new ATOM 0 HA GLN A 45 11.582 -10.965 4.663 1.00 0.83 H new ATOM 0 HB2 GLN A 45 10.505 -9.799 2.979 1.00 0.93 H new ATOM 0 HB3 GLN A 45 11.760 -8.702 3.521 1.00 0.93 H new ATOM 0 HG2 GLN A 45 12.995 -8.913 1.566 1.00 0.97 H new ATOM 0 HG3 GLN A 45 12.355 -10.502 1.197 1.00 0.97 H new ATOM 0 HE21 GLN A 45 12.103 -7.149 0.654 1.00 1.43 H new ATOM 0 HE22 GLN A 45 10.618 -7.164 -0.304 1.00 1.43 H new ATOM 692 N LEU A 46 13.555 -12.470 2.653 1.00 0.78 N ATOM 693 CA LEU A 46 13.798 -13.704 1.920 1.00 0.78 C ATOM 694 C LEU A 46 12.865 -14.777 2.432 1.00 0.74 C ATOM 695 O LEU A 46 11.906 -15.115 1.747 1.00 0.75 O ATOM 696 CB LEU A 46 15.260 -14.169 2.058 1.00 0.83 C ATOM 697 CG LEU A 46 16.121 -14.099 0.789 1.00 1.04 C ATOM 698 CD1 LEU A 46 17.387 -14.921 0.965 1.00 1.25 C ATOM 699 CD2 LEU A 46 15.336 -14.581 -0.420 1.00 1.30 C ATOM 0 H LEU A 46 14.403 -11.952 2.885 1.00 0.78 H new ATOM 0 HA LEU A 46 13.611 -13.518 0.862 1.00 0.78 H new ATOM 0 HB2 LEU A 46 15.739 -13.566 2.830 1.00 0.83 H new ATOM 0 HB3 LEU A 46 15.259 -15.199 2.414 1.00 0.83 H new ATOM 0 HG LEU A 46 16.402 -13.060 0.620 1.00 1.04 H new ATOM 0 HD11 LEU A 46 17.988 -14.862 0.058 1.00 1.25 H new ATOM 0 HD12 LEU A 46 17.960 -14.531 1.806 1.00 1.25 H new ATOM 0 HD13 LEU A 46 17.122 -15.961 1.158 1.00 1.25 H new ATOM 0 HD21 LEU A 46 15.965 -14.523 -1.309 1.00 1.30 H new ATOM 0 HD22 LEU A 46 15.024 -15.613 -0.263 1.00 1.30 H new ATOM 0 HD23 LEU A 46 14.456 -13.953 -0.557 1.00 1.30 H new ATOM 711 N PRO A 47 13.067 -15.298 3.663 1.00 0.78 N ATOM 712 CA PRO A 47 12.159 -16.315 4.143 1.00 0.80 C ATOM 713 C PRO A 47 10.879 -15.720 4.691 1.00 0.77 C ATOM 714 O PRO A 47 10.775 -15.370 5.867 1.00 0.81 O ATOM 715 CB PRO A 47 12.952 -16.946 5.281 1.00 0.90 C ATOM 716 CG PRO A 47 13.801 -15.837 5.810 1.00 0.95 C ATOM 717 CD PRO A 47 14.122 -14.953 4.632 1.00 0.90 C ATOM 0 HA PRO A 47 11.852 -17.005 3.357 1.00 0.80 H new ATOM 0 HB2 PRO A 47 12.291 -17.342 6.052 1.00 0.90 H new ATOM 0 HB3 PRO A 47 13.562 -17.777 4.926 1.00 0.90 H new ATOM 0 HG2 PRO A 47 13.274 -15.278 6.583 1.00 0.95 H new ATOM 0 HG3 PRO A 47 14.712 -16.227 6.264 1.00 0.95 H new ATOM 0 HD2 PRO A 47 14.094 -13.897 4.900 1.00 0.90 H new ATOM 0 HD3 PRO A 47 15.117 -15.155 4.235 1.00 0.90 H new ATOM 725 N HIS A 48 9.913 -15.611 3.801 1.00 0.73 N ATOM 726 CA HIS A 48 8.572 -15.183 4.133 1.00 0.74 C ATOM 727 C HIS A 48 7.679 -16.403 4.267 1.00 0.83 C ATOM 728 O HIS A 48 8.166 -17.517 4.457 1.00 0.91 O ATOM 729 CB HIS A 48 8.038 -14.203 3.088 1.00 0.73 C ATOM 730 CG HIS A 48 7.934 -12.816 3.632 1.00 0.98 C ATOM 731 ND1 HIS A 48 9.006 -11.954 3.703 1.00 1.87 N ATOM 732 CD2 HIS A 48 6.887 -12.157 4.176 1.00 1.34 C ATOM 733 CE1 HIS A 48 8.624 -10.825 4.269 1.00 2.04 C ATOM 734 NE2 HIS A 48 7.341 -10.923 4.565 1.00 1.61 N ATOM 0 H HIS A 48 10.042 -15.821 2.811 1.00 0.73 H new ATOM 0 HA HIS A 48 8.584 -14.653 5.086 1.00 0.74 H new ATOM 0 HB2 HIS A 48 8.696 -14.204 2.219 1.00 0.73 H new ATOM 0 HB3 HIS A 48 7.057 -14.534 2.746 1.00 0.73 H new ATOM 0 HD2 HIS A 48 5.880 -12.532 4.284 1.00 1.34 H new ATOM 0 HE1 HIS A 48 9.253 -9.968 4.458 1.00 2.04 H new ATOM 0 HE2 HIS A 48 6.779 -10.198 5.011 1.00 1.61 H new ATOM 743 N LEU A 49 6.373 -16.196 4.174 1.00 0.88 N ATOM 744 CA LEU A 49 5.453 -17.311 4.159 1.00 1.00 C ATOM 745 C LEU A 49 5.456 -17.851 2.727 1.00 0.98 C ATOM 746 O LEU A 49 6.193 -18.785 2.412 1.00 1.02 O ATOM 747 CB LEU A 49 4.049 -16.881 4.595 1.00 1.10 C ATOM 748 CG LEU A 49 2.972 -17.956 4.465 1.00 1.62 C ATOM 749 CD1 LEU A 49 3.448 -19.260 5.086 1.00 2.02 C ATOM 750 CD2 LEU A 49 1.681 -17.494 5.122 1.00 2.44 C ATOM 0 H LEU A 49 5.936 -15.277 4.109 1.00 0.88 H new ATOM 0 HA LEU A 49 5.760 -18.082 4.866 1.00 1.00 H new ATOM 0 HB2 LEU A 49 4.092 -16.556 5.634 1.00 1.10 H new ATOM 0 HB3 LEU A 49 3.750 -16.016 4.002 1.00 1.10 H new ATOM 0 HG LEU A 49 2.779 -18.128 3.406 1.00 1.62 H new ATOM 0 HD11 LEU A 49 2.670 -20.016 4.986 1.00 2.02 H new ATOM 0 HD12 LEU A 49 4.350 -19.598 4.576 1.00 2.02 H new ATOM 0 HD13 LEU A 49 3.666 -19.102 6.142 1.00 2.02 H new ATOM 0 HD21 LEU A 49 0.923 -18.271 5.021 1.00 2.44 H new ATOM 0 HD22 LEU A 49 1.861 -17.298 6.179 1.00 2.44 H new ATOM 0 HD23 LEU A 49 1.332 -16.582 4.638 1.00 2.44 H new ATOM 762 N LEU A 50 4.631 -17.259 1.861 1.00 0.98 N ATOM 763 CA LEU A 50 4.604 -17.627 0.446 1.00 1.01 C ATOM 764 C LEU A 50 5.686 -16.844 -0.311 1.00 0.92 C ATOM 765 O LEU A 50 5.411 -16.208 -1.328 1.00 1.01 O ATOM 766 CB LEU A 50 3.228 -17.345 -0.161 1.00 1.11 C ATOM 767 CG LEU A 50 3.051 -17.807 -1.609 1.00 1.60 C ATOM 768 CD1 LEU A 50 3.327 -19.299 -1.728 1.00 1.97 C ATOM 769 CD2 LEU A 50 1.651 -17.480 -2.103 1.00 2.25 C ATOM 0 H LEU A 50 3.973 -16.523 2.116 1.00 0.98 H new ATOM 0 HA LEU A 50 4.803 -18.695 0.358 1.00 1.01 H new ATOM 0 HB2 LEU A 50 2.470 -17.830 0.454 1.00 1.11 H new ATOM 0 HB3 LEU A 50 3.039 -16.273 -0.112 1.00 1.11 H new ATOM 0 HG LEU A 50 3.768 -17.274 -2.233 1.00 1.60 H new ATOM 0 HD11 LEU A 50 3.197 -19.612 -2.764 1.00 1.97 H new ATOM 0 HD12 LEU A 50 4.349 -19.506 -1.412 1.00 1.97 H new ATOM 0 HD13 LEU A 50 2.633 -19.849 -1.093 1.00 1.97 H new ATOM 0 HD21 LEU A 50 1.542 -17.815 -3.134 1.00 2.25 H new ATOM 0 HD22 LEU A 50 0.917 -17.987 -1.477 1.00 2.25 H new ATOM 0 HD23 LEU A 50 1.490 -16.403 -2.052 1.00 2.25 H new ATOM 781 N LYS A 51 6.913 -16.895 0.196 1.00 0.85 N ATOM 782 CA LYS A 51 8.038 -16.171 -0.381 1.00 0.81 C ATOM 783 C LYS A 51 8.055 -16.178 -1.903 1.00 0.88 C ATOM 784 O LYS A 51 7.501 -17.062 -2.557 1.00 1.03 O ATOM 785 CB LYS A 51 9.351 -16.740 0.162 1.00 0.97 C ATOM 786 CG LYS A 51 10.618 -16.202 -0.517 1.00 1.23 C ATOM 787 CD LYS A 51 11.837 -17.092 -0.287 1.00 2.11 C ATOM 788 CE LYS A 51 11.889 -17.651 1.122 1.00 2.68 C ATOM 789 NZ LYS A 51 11.641 -19.118 1.150 1.00 3.58 N ATOM 0 H LYS A 51 7.155 -17.442 1.022 1.00 0.85 H new ATOM 0 HA LYS A 51 7.922 -15.129 -0.084 1.00 0.81 H new ATOM 0 HB2 LYS A 51 9.409 -16.526 1.229 1.00 0.97 H new ATOM 0 HB3 LYS A 51 9.332 -17.825 0.055 1.00 0.97 H new ATOM 0 HG2 LYS A 51 10.439 -16.109 -1.588 1.00 1.23 H new ATOM 0 HG3 LYS A 51 10.829 -15.201 -0.141 1.00 1.23 H new ATOM 0 HD2 LYS A 51 11.822 -17.915 -1.001 1.00 2.11 H new ATOM 0 HD3 LYS A 51 12.744 -16.519 -0.481 1.00 2.11 H new ATOM 0 HE2 LYS A 51 12.865 -17.440 1.560 1.00 2.68 H new ATOM 0 HE3 LYS A 51 11.146 -17.146 1.740 1.00 2.68 H new ATOM 0 HZ1 LYS A 51 11.483 -19.425 2.131 1.00 3.58 H new ATOM 0 HZ2 LYS A 51 10.800 -19.339 0.579 1.00 3.58 H new ATOM 0 HZ3 LYS A 51 12.466 -19.617 0.760 1.00 3.58 H new ATOM 803 N ASP A 52 8.705 -15.152 -2.438 1.00 0.92 N ATOM 804 CA ASP A 52 8.886 -14.980 -3.868 1.00 1.17 C ATOM 805 C ASP A 52 10.267 -15.496 -4.261 1.00 1.23 C ATOM 806 O ASP A 52 10.417 -16.144 -5.292 1.00 1.47 O ATOM 807 CB ASP A 52 8.746 -13.507 -4.254 1.00 1.29 C ATOM 808 CG ASP A 52 7.335 -12.989 -4.059 1.00 1.87 C ATOM 809 OD1 ASP A 52 6.708 -13.347 -3.042 1.00 2.61 O ATOM 810 OD2 ASP A 52 6.857 -12.230 -4.929 1.00 2.35 O ATOM 0 H ASP A 52 9.125 -14.408 -1.881 1.00 0.92 H new ATOM 0 HA ASP A 52 8.118 -15.544 -4.397 1.00 1.17 H new ATOM 0 HB2 ASP A 52 9.435 -12.911 -3.656 1.00 1.29 H new ATOM 0 HB3 ASP A 52 9.036 -13.379 -5.297 1.00 1.29 H new ATOM 815 N VAL A 53 11.262 -15.202 -3.407 1.00 1.13 N ATOM 816 CA VAL A 53 12.650 -15.635 -3.600 1.00 1.26 C ATOM 817 C VAL A 53 13.512 -14.554 -4.251 1.00 1.24 C ATOM 818 O VAL A 53 13.677 -14.474 -5.467 1.00 1.48 O ATOM 819 CB VAL A 53 12.752 -17.005 -4.332 1.00 1.57 C ATOM 820 CG1 VAL A 53 12.885 -16.890 -5.851 1.00 2.17 C ATOM 821 CG2 VAL A 53 13.901 -17.823 -3.762 1.00 1.91 C ATOM 0 H VAL A 53 11.121 -14.653 -2.559 1.00 1.13 H new ATOM 0 HA VAL A 53 13.063 -15.795 -2.604 1.00 1.26 H new ATOM 0 HB VAL A 53 11.805 -17.514 -4.151 1.00 1.57 H new ATOM 0 HG11 VAL A 53 12.951 -17.887 -6.287 1.00 2.17 H new ATOM 0 HG12 VAL A 53 12.014 -16.374 -6.254 1.00 2.17 H new ATOM 0 HG13 VAL A 53 13.786 -16.327 -6.096 1.00 2.17 H new ATOM 0 HG21 VAL A 53 13.961 -18.779 -4.283 1.00 1.91 H new ATOM 0 HG22 VAL A 53 14.836 -17.278 -3.894 1.00 1.91 H new ATOM 0 HG23 VAL A 53 13.731 -17.999 -2.700 1.00 1.91 H new ATOM 831 N GLY A 54 14.040 -13.693 -3.400 1.00 1.06 N ATOM 832 CA GLY A 54 14.904 -12.632 -3.861 1.00 1.11 C ATOM 833 C GLY A 54 16.198 -13.181 -4.412 1.00 1.14 C ATOM 834 O GLY A 54 17.124 -13.483 -3.660 1.00 1.24 O ATOM 0 H GLY A 54 13.884 -13.711 -2.392 1.00 1.06 H new ATOM 0 HA2 GLY A 54 14.394 -12.053 -4.631 1.00 1.11 H new ATOM 0 HA3 GLY A 54 15.117 -11.949 -3.038 1.00 1.11 H new ATOM 838 N SER A 55 16.257 -13.342 -5.724 1.00 1.18 N ATOM 839 CA SER A 55 17.454 -13.861 -6.362 1.00 1.25 C ATOM 840 C SER A 55 18.622 -12.912 -6.129 1.00 1.11 C ATOM 841 O SER A 55 18.448 -11.693 -6.115 1.00 1.10 O ATOM 842 CB SER A 55 17.216 -14.049 -7.860 1.00 1.41 C ATOM 843 OG SER A 55 18.255 -14.810 -8.451 1.00 1.61 O ATOM 0 H SER A 55 15.494 -13.122 -6.364 1.00 1.18 H new ATOM 0 HA SER A 55 17.695 -14.830 -5.924 1.00 1.25 H new ATOM 0 HB2 SER A 55 16.260 -14.548 -8.020 1.00 1.41 H new ATOM 0 HB3 SER A 55 17.153 -13.075 -8.346 1.00 1.41 H new ATOM 0 HG SER A 55 18.078 -14.917 -9.409 1.00 1.61 H new ATOM 849 N LEU A 56 19.813 -13.473 -5.942 1.00 1.15 N ATOM 850 CA LEU A 56 21.007 -12.666 -5.704 1.00 1.10 C ATOM 851 C LEU A 56 21.083 -11.502 -6.687 1.00 0.98 C ATOM 852 O LEU A 56 21.318 -10.361 -6.296 1.00 0.97 O ATOM 853 CB LEU A 56 22.263 -13.530 -5.813 1.00 1.28 C ATOM 854 CG LEU A 56 22.335 -14.688 -4.817 1.00 2.03 C ATOM 855 CD1 LEU A 56 23.640 -15.451 -4.979 1.00 2.61 C ATOM 856 CD2 LEU A 56 22.189 -14.173 -3.392 1.00 2.83 C ATOM 0 H LEU A 56 19.978 -14.480 -5.950 1.00 1.15 H new ATOM 0 HA LEU A 56 20.945 -12.259 -4.695 1.00 1.10 H new ATOM 0 HB2 LEU A 56 22.322 -13.935 -6.823 1.00 1.28 H new ATOM 0 HB3 LEU A 56 23.137 -12.894 -5.673 1.00 1.28 H new ATOM 0 HG LEU A 56 21.511 -15.372 -5.022 1.00 2.03 H new ATOM 0 HD11 LEU A 56 23.673 -16.271 -4.262 1.00 2.61 H new ATOM 0 HD12 LEU A 56 23.704 -15.851 -5.991 1.00 2.61 H new ATOM 0 HD13 LEU A 56 24.479 -14.779 -4.800 1.00 2.61 H new ATOM 0 HD21 LEU A 56 22.242 -15.010 -2.695 1.00 2.83 H new ATOM 0 HD22 LEU A 56 22.992 -13.469 -3.176 1.00 2.83 H new ATOM 0 HD23 LEU A 56 21.228 -13.671 -3.283 1.00 2.83 H new ATOM 868 N ASP A 57 20.877 -11.801 -7.964 1.00 1.00 N ATOM 869 CA ASP A 57 20.908 -10.770 -8.996 1.00 1.01 C ATOM 870 C ASP A 57 19.738 -9.822 -8.836 1.00 0.95 C ATOM 871 O ASP A 57 19.912 -8.607 -8.776 1.00 0.96 O ATOM 872 CB ASP A 57 20.849 -11.369 -10.395 1.00 1.15 C ATOM 873 CG ASP A 57 19.940 -12.581 -10.486 1.00 1.69 C ATOM 874 OD1 ASP A 57 18.719 -12.394 -10.669 1.00 2.20 O ATOM 875 OD2 ASP A 57 20.451 -13.716 -10.374 1.00 2.48 O ATOM 0 H ASP A 57 20.688 -12.742 -8.309 1.00 1.00 H new ATOM 0 HA ASP A 57 21.850 -10.234 -8.877 1.00 1.01 H new ATOM 0 HB2 ASP A 57 20.502 -10.609 -11.095 1.00 1.15 H new ATOM 0 HB3 ASP A 57 21.855 -11.653 -10.705 1.00 1.15 H new ATOM 880 N GLU A 58 18.539 -10.392 -8.767 1.00 0.94 N ATOM 881 CA GLU A 58 17.320 -9.610 -8.618 1.00 0.95 C ATOM 882 C GLU A 58 17.493 -8.602 -7.506 1.00 0.87 C ATOM 883 O GLU A 58 17.206 -7.417 -7.672 1.00 0.90 O ATOM 884 CB GLU A 58 16.131 -10.528 -8.324 1.00 0.98 C ATOM 885 CG GLU A 58 15.670 -11.308 -9.544 1.00 1.43 C ATOM 886 CD GLU A 58 14.345 -12.012 -9.322 1.00 1.80 C ATOM 887 OE1 GLU A 58 13.293 -11.380 -9.552 1.00 2.29 O ATOM 888 OE2 GLU A 58 14.361 -13.194 -8.920 1.00 2.42 O ATOM 0 H GLU A 58 18.387 -11.400 -8.812 1.00 0.94 H new ATOM 0 HA GLU A 58 17.123 -9.080 -9.550 1.00 0.95 H new ATOM 0 HB2 GLU A 58 16.405 -11.227 -7.534 1.00 0.98 H new ATOM 0 HB3 GLU A 58 15.301 -9.930 -7.947 1.00 0.98 H new ATOM 0 HG2 GLU A 58 15.578 -10.628 -10.391 1.00 1.43 H new ATOM 0 HG3 GLU A 58 16.429 -12.045 -9.807 1.00 1.43 H new ATOM 895 N LYS A 59 17.986 -9.081 -6.375 1.00 0.81 N ATOM 896 CA LYS A 59 18.216 -8.218 -5.243 1.00 0.76 C ATOM 897 C LYS A 59 19.210 -7.119 -5.602 1.00 0.80 C ATOM 898 O LYS A 59 19.200 -6.043 -5.008 1.00 0.79 O ATOM 899 CB LYS A 59 18.676 -9.035 -4.032 1.00 0.75 C ATOM 900 CG LYS A 59 17.687 -10.136 -3.648 1.00 0.75 C ATOM 901 CD LYS A 59 18.328 -11.191 -2.753 1.00 1.14 C ATOM 902 CE LYS A 59 19.078 -10.582 -1.582 1.00 1.95 C ATOM 903 NZ LYS A 59 19.957 -11.582 -0.913 1.00 2.67 N ATOM 0 H LYS A 59 18.232 -10.059 -6.223 1.00 0.81 H new ATOM 0 HA LYS A 59 17.279 -7.732 -4.971 1.00 0.76 H new ATOM 0 HB2 LYS A 59 19.645 -9.484 -4.249 1.00 0.75 H new ATOM 0 HB3 LYS A 59 18.817 -8.368 -3.182 1.00 0.75 H new ATOM 0 HG2 LYS A 59 16.834 -9.694 -3.134 1.00 0.75 H new ATOM 0 HG3 LYS A 59 17.304 -10.611 -4.551 1.00 0.75 H new ATOM 0 HD2 LYS A 59 17.555 -11.861 -2.376 1.00 1.14 H new ATOM 0 HD3 LYS A 59 19.015 -11.796 -3.345 1.00 1.14 H new ATOM 0 HE2 LYS A 59 19.680 -9.744 -1.932 1.00 1.95 H new ATOM 0 HE3 LYS A 59 18.365 -10.183 -0.860 1.00 1.95 H new ATOM 0 HZ1 LYS A 59 20.143 -11.282 0.065 1.00 2.67 H new ATOM 0 HZ2 LYS A 59 19.486 -12.509 -0.907 1.00 2.67 H new ATOM 0 HZ3 LYS A 59 20.857 -11.654 -1.430 1.00 2.67 H new ATOM 917 N MET A 60 20.069 -7.400 -6.578 1.00 0.86 N ATOM 918 CA MET A 60 21.051 -6.433 -7.037 1.00 0.92 C ATOM 919 C MET A 60 20.460 -5.453 -8.051 1.00 0.96 C ATOM 920 O MET A 60 20.763 -4.260 -8.024 1.00 1.01 O ATOM 921 CB MET A 60 22.265 -7.143 -7.641 1.00 1.00 C ATOM 922 CG MET A 60 23.135 -7.833 -6.605 1.00 1.00 C ATOM 923 SD MET A 60 24.568 -8.651 -7.335 1.00 1.73 S ATOM 924 CE MET A 60 25.395 -7.264 -8.108 1.00 2.31 C ATOM 0 H MET A 60 20.101 -8.295 -7.066 1.00 0.86 H new ATOM 0 HA MET A 60 21.367 -5.859 -6.166 1.00 0.92 H new ATOM 0 HB2 MET A 60 21.922 -7.881 -8.366 1.00 1.00 H new ATOM 0 HB3 MET A 60 22.868 -6.417 -8.186 1.00 1.00 H new ATOM 0 HG2 MET A 60 23.474 -7.099 -5.874 1.00 1.00 H new ATOM 0 HG3 MET A 60 22.537 -8.568 -6.066 1.00 1.00 H new ATOM 0 HE1 MET A 60 26.444 -7.511 -8.271 1.00 2.31 H new ATOM 0 HE2 MET A 60 24.921 -7.045 -9.065 1.00 2.31 H new ATOM 0 HE3 MET A 60 25.324 -6.391 -7.460 1.00 2.31 H new ATOM 934 N LYS A 61 19.614 -5.962 -8.945 1.00 0.97 N ATOM 935 CA LYS A 61 18.999 -5.125 -9.977 1.00 1.02 C ATOM 936 C LYS A 61 17.926 -4.237 -9.380 1.00 0.96 C ATOM 937 O LYS A 61 17.907 -3.025 -9.594 1.00 0.92 O ATOM 938 CB LYS A 61 18.355 -5.965 -11.093 1.00 1.08 C ATOM 939 CG LYS A 61 18.826 -7.409 -11.180 1.00 1.55 C ATOM 940 CD LYS A 61 20.337 -7.513 -11.345 1.00 2.07 C ATOM 941 CE LYS A 61 20.816 -6.777 -12.585 1.00 2.59 C ATOM 942 NZ LYS A 61 20.193 -7.318 -13.825 1.00 3.16 N ATOM 0 H LYS A 61 19.339 -6.944 -8.977 1.00 0.97 H new ATOM 0 HA LYS A 61 19.801 -4.521 -10.401 1.00 1.02 H new ATOM 0 HB2 LYS A 61 17.275 -5.962 -10.949 1.00 1.08 H new ATOM 0 HB3 LYS A 61 18.551 -5.479 -12.049 1.00 1.08 H new ATOM 0 HG2 LYS A 61 18.523 -7.943 -10.279 1.00 1.55 H new ATOM 0 HG3 LYS A 61 18.336 -7.899 -12.021 1.00 1.55 H new ATOM 0 HD2 LYS A 61 20.829 -7.101 -10.464 1.00 2.07 H new ATOM 0 HD3 LYS A 61 20.625 -8.562 -11.410 1.00 2.07 H new ATOM 0 HE2 LYS A 61 20.580 -5.717 -12.492 1.00 2.59 H new ATOM 0 HE3 LYS A 61 21.901 -6.857 -12.659 1.00 2.59 H new ATOM 0 HZ1 LYS A 61 20.666 -6.911 -14.657 1.00 3.16 H new ATOM 0 HZ2 LYS A 61 20.294 -8.353 -13.841 1.00 3.16 H new ATOM 0 HZ3 LYS A 61 19.184 -7.069 -13.844 1.00 3.16 H new ATOM 956 N THR A 62 17.035 -4.859 -8.631 1.00 0.98 N ATOM 957 CA THR A 62 15.931 -4.149 -8.013 1.00 0.96 C ATOM 958 C THR A 62 16.393 -2.896 -7.288 1.00 0.86 C ATOM 959 O THR A 62 15.599 -1.986 -7.061 1.00 0.84 O ATOM 960 CB THR A 62 15.151 -5.046 -7.042 1.00 1.02 C ATOM 961 OG1 THR A 62 14.699 -6.223 -7.726 1.00 1.12 O ATOM 962 CG2 THR A 62 13.957 -4.302 -6.463 1.00 1.05 C ATOM 0 H THR A 62 17.055 -5.860 -8.435 1.00 0.98 H new ATOM 0 HA THR A 62 15.269 -3.853 -8.826 1.00 0.96 H new ATOM 0 HB THR A 62 15.814 -5.330 -6.225 1.00 1.02 H new ATOM 0 HG1 THR A 62 15.452 -6.837 -7.854 1.00 1.12 H new ATOM 0 HG21 THR A 62 13.418 -4.956 -5.778 1.00 1.05 H new ATOM 0 HG22 THR A 62 14.304 -3.420 -5.925 1.00 1.05 H new ATOM 0 HG23 THR A 62 13.292 -3.996 -7.271 1.00 1.05 H new ATOM 970 N LEU A 63 17.669 -2.835 -6.909 1.00 0.86 N ATOM 971 CA LEU A 63 18.181 -1.646 -6.237 1.00 0.84 C ATOM 972 C LEU A 63 17.825 -0.408 -7.042 1.00 0.80 C ATOM 973 O LEU A 63 17.001 0.408 -6.631 1.00 0.89 O ATOM 974 CB LEU A 63 19.696 -1.696 -6.070 1.00 0.95 C ATOM 975 CG LEU A 63 20.200 -2.411 -4.821 1.00 0.92 C ATOM 976 CD1 LEU A 63 20.679 -3.808 -5.170 1.00 1.05 C ATOM 977 CD2 LEU A 63 21.318 -1.613 -4.166 1.00 1.40 C ATOM 0 H LEU A 63 18.353 -3.578 -7.052 1.00 0.86 H new ATOM 0 HA LEU A 63 17.723 -1.609 -5.248 1.00 0.84 H new ATOM 0 HB2 LEU A 63 20.124 -2.186 -6.945 1.00 0.95 H new ATOM 0 HB3 LEU A 63 20.076 -0.674 -6.060 1.00 0.95 H new ATOM 0 HG LEU A 63 19.376 -2.494 -4.113 1.00 0.92 H new ATOM 0 HD11 LEU A 63 21.036 -4.306 -4.269 1.00 1.05 H new ATOM 0 HD12 LEU A 63 19.855 -4.379 -5.598 1.00 1.05 H new ATOM 0 HD13 LEU A 63 21.491 -3.744 -5.895 1.00 1.05 H new ATOM 0 HD21 LEU A 63 21.666 -2.137 -3.276 1.00 1.40 H new ATOM 0 HD22 LEU A 63 22.144 -1.501 -4.868 1.00 1.40 H new ATOM 0 HD23 LEU A 63 20.945 -0.628 -3.884 1.00 1.40 H new ATOM 989 N ASP A 64 18.447 -0.282 -8.207 1.00 0.79 N ATOM 990 CA ASP A 64 18.180 0.852 -9.078 1.00 0.82 C ATOM 991 C ASP A 64 16.680 0.975 -9.326 1.00 0.82 C ATOM 992 O ASP A 64 16.149 2.080 -9.449 1.00 0.89 O ATOM 993 CB ASP A 64 18.923 0.712 -10.403 1.00 0.91 C ATOM 994 CG ASP A 64 20.427 0.641 -10.223 1.00 1.35 C ATOM 995 OD1 ASP A 64 21.073 1.710 -10.210 1.00 2.05 O ATOM 996 OD2 ASP A 64 20.958 -0.482 -10.096 1.00 1.99 O ATOM 0 H ASP A 64 19.133 -0.945 -8.567 1.00 0.79 H new ATOM 0 HA ASP A 64 18.537 1.756 -8.584 1.00 0.82 H new ATOM 0 HB2 ASP A 64 18.579 -0.187 -10.915 1.00 0.91 H new ATOM 0 HB3 ASP A 64 18.677 1.558 -11.045 1.00 0.91 H new ATOM 1001 N VAL A 65 16.002 -0.170 -9.398 1.00 0.82 N ATOM 1002 CA VAL A 65 14.559 -0.186 -9.599 1.00 0.87 C ATOM 1003 C VAL A 65 13.880 0.492 -8.415 1.00 0.77 C ATOM 1004 O VAL A 65 13.388 1.615 -8.527 1.00 0.82 O ATOM 1005 CB VAL A 65 14.020 -1.626 -9.754 1.00 0.95 C ATOM 1006 CG1 VAL A 65 12.505 -1.618 -9.894 1.00 1.06 C ATOM 1007 CG2 VAL A 65 14.667 -2.308 -10.949 1.00 1.07 C ATOM 0 H VAL A 65 16.429 -1.093 -9.320 1.00 0.82 H new ATOM 0 HA VAL A 65 14.337 0.352 -10.520 1.00 0.87 H new ATOM 0 HB VAL A 65 14.275 -2.190 -8.857 1.00 0.95 H new ATOM 0 HG11 VAL A 65 12.144 -2.641 -10.002 1.00 1.06 H new ATOM 0 HG12 VAL A 65 12.060 -1.168 -9.007 1.00 1.06 H new ATOM 0 HG13 VAL A 65 12.224 -1.039 -10.774 1.00 1.06 H new ATOM 0 HG21 VAL A 65 14.277 -3.321 -11.045 1.00 1.07 H new ATOM 0 HG22 VAL A 65 14.442 -1.745 -11.855 1.00 1.07 H new ATOM 0 HG23 VAL A 65 15.747 -2.347 -10.805 1.00 1.07 H new ATOM 1017 N ASN A 66 13.858 -0.201 -7.281 1.00 0.72 N ATOM 1018 CA ASN A 66 13.283 0.346 -6.060 1.00 0.68 C ATOM 1019 C ASN A 66 14.289 1.257 -5.378 1.00 0.57 C ATOM 1020 O ASN A 66 14.631 1.065 -4.211 1.00 0.57 O ATOM 1021 CB ASN A 66 12.897 -0.761 -5.096 1.00 0.82 C ATOM 1022 CG ASN A 66 11.789 -1.646 -5.629 1.00 0.81 C ATOM 1023 OD1 ASN A 66 11.658 -1.840 -6.838 1.00 1.51 O ATOM 1024 ND2 ASN A 66 10.979 -2.188 -4.726 1.00 1.10 N ATOM 0 H ASN A 66 14.233 -1.145 -7.184 1.00 0.72 H new ATOM 0 HA ASN A 66 12.390 0.908 -6.333 1.00 0.68 H new ATOM 0 HB2 ASN A 66 13.774 -1.373 -4.883 1.00 0.82 H new ATOM 0 HB3 ASN A 66 12.580 -0.319 -4.151 1.00 0.82 H new ATOM 0 HD21 ASN A 66 10.213 -2.791 -5.025 1.00 1.10 H new ATOM 0 HD22 ASN A 66 11.123 -2.001 -3.734 1.00 1.10 H new ATOM 1031 N GLN A 67 14.750 2.248 -6.108 1.00 0.62 N ATOM 1032 CA GLN A 67 15.723 3.178 -5.603 1.00 0.68 C ATOM 1033 C GLN A 67 15.073 4.050 -4.552 1.00 0.61 C ATOM 1034 O GLN A 67 15.399 3.992 -3.366 1.00 0.66 O ATOM 1035 CB GLN A 67 16.250 3.998 -6.789 1.00 0.88 C ATOM 1036 CG GLN A 67 16.903 5.307 -6.421 1.00 0.74 C ATOM 1037 CD GLN A 67 16.033 6.547 -6.415 1.00 1.15 C ATOM 1038 OE1 GLN A 67 16.403 7.556 -5.816 1.00 1.97 O ATOM 1039 NE2 GLN A 67 14.888 6.484 -7.051 1.00 1.36 N ATOM 0 H GLN A 67 14.458 2.428 -7.069 1.00 0.62 H new ATOM 0 HA GLN A 67 16.563 2.668 -5.131 1.00 0.68 H new ATOM 0 HB2 GLN A 67 16.970 3.392 -7.338 1.00 0.88 H new ATOM 0 HB3 GLN A 67 15.421 4.201 -7.467 1.00 0.88 H new ATOM 0 HG2 GLN A 67 17.339 5.198 -5.428 1.00 0.74 H new ATOM 0 HG3 GLN A 67 17.727 5.478 -7.114 1.00 0.74 H new ATOM 0 HE21 GLN A 67 14.620 5.627 -7.535 1.00 1.36 H new ATOM 0 HE22 GLN A 67 14.265 7.292 -7.062 1.00 1.36 H new ATOM 1048 N ASP A 68 14.155 4.850 -5.021 1.00 0.59 N ATOM 1049 CA ASP A 68 13.395 5.752 -4.170 1.00 0.62 C ATOM 1050 C ASP A 68 12.160 5.071 -3.606 1.00 0.59 C ATOM 1051 O ASP A 68 11.158 5.742 -3.369 1.00 0.66 O ATOM 1052 CB ASP A 68 12.979 7.012 -4.922 1.00 0.74 C ATOM 1053 CG ASP A 68 14.024 8.103 -4.826 1.00 1.00 C ATOM 1054 OD1 ASP A 68 14.616 8.263 -3.739 1.00 1.62 O ATOM 1055 OD2 ASP A 68 14.251 8.798 -5.838 1.00 1.51 O ATOM 0 H ASP A 68 13.905 4.902 -6.008 1.00 0.59 H new ATOM 0 HA ASP A 68 14.051 6.034 -3.347 1.00 0.62 H new ATOM 0 HB2 ASP A 68 12.806 6.768 -5.970 1.00 0.74 H new ATOM 0 HB3 ASP A 68 12.035 7.379 -4.520 1.00 0.74 H new ATOM 1060 N SER A 69 12.222 3.751 -3.362 1.00 0.56 N ATOM 1061 CA SER A 69 11.061 3.018 -2.834 1.00 0.59 C ATOM 1062 C SER A 69 10.435 3.823 -1.717 1.00 0.63 C ATOM 1063 O SER A 69 9.228 3.787 -1.483 1.00 0.75 O ATOM 1064 CB SER A 69 11.466 1.639 -2.323 1.00 0.68 C ATOM 1065 OG SER A 69 12.709 1.689 -1.644 1.00 1.75 O ATOM 0 H SER A 69 13.051 3.178 -3.519 1.00 0.56 H new ATOM 0 HA SER A 69 10.340 2.876 -3.639 1.00 0.59 H new ATOM 0 HB2 SER A 69 10.697 1.257 -1.652 1.00 0.68 H new ATOM 0 HB3 SER A 69 11.533 0.944 -3.160 1.00 0.68 H new ATOM 0 HG SER A 69 13.437 1.533 -2.282 1.00 1.75 H new ATOM 1071 N GLU A 70 11.305 4.549 -1.043 1.00 0.64 N ATOM 1072 CA GLU A 70 10.915 5.448 0.013 1.00 0.76 C ATOM 1073 C GLU A 70 11.558 6.790 -0.218 1.00 0.78 C ATOM 1074 O GLU A 70 12.594 6.907 -0.874 1.00 0.81 O ATOM 1075 CB GLU A 70 11.344 4.939 1.373 1.00 0.85 C ATOM 1076 CG GLU A 70 11.421 6.036 2.446 1.00 1.33 C ATOM 1077 CD GLU A 70 10.065 6.566 2.856 1.00 2.19 C ATOM 1078 OE1 GLU A 70 9.053 5.908 2.547 1.00 2.72 O ATOM 1079 OE2 GLU A 70 10.014 7.637 3.494 1.00 2.88 O ATOM 0 H GLU A 70 12.310 4.528 -1.218 1.00 0.64 H new ATOM 0 HA GLU A 70 9.828 5.525 -0.000 1.00 0.76 H new ATOM 0 HB2 GLU A 70 10.644 4.171 1.701 1.00 0.85 H new ATOM 0 HB3 GLU A 70 12.320 4.463 1.282 1.00 0.85 H new ATOM 0 HG2 GLU A 70 11.930 5.640 3.325 1.00 1.33 H new ATOM 0 HG3 GLU A 70 12.028 6.860 2.071 1.00 1.33 H new ATOM 1086 N LEU A 71 10.914 7.797 0.302 1.00 0.79 N ATOM 1087 CA LEU A 71 11.419 9.120 0.193 1.00 0.83 C ATOM 1088 C LEU A 71 11.026 10.006 1.357 1.00 0.81 C ATOM 1089 O LEU A 71 10.183 9.659 2.183 1.00 0.86 O ATOM 1090 CB LEU A 71 10.996 9.734 -1.099 1.00 0.99 C ATOM 1091 CG LEU A 71 9.527 9.591 -1.391 1.00 0.79 C ATOM 1092 CD1 LEU A 71 9.179 8.117 -1.625 1.00 1.89 C ATOM 1093 CD2 LEU A 71 8.724 10.197 -0.264 1.00 1.26 C ATOM 0 H LEU A 71 10.032 7.717 0.808 1.00 0.79 H new ATOM 0 HA LEU A 71 12.506 9.041 0.218 1.00 0.83 H new ATOM 0 HB2 LEU A 71 11.253 10.793 -1.088 1.00 0.99 H new ATOM 0 HB3 LEU A 71 11.564 9.277 -1.910 1.00 0.99 H new ATOM 0 HG LEU A 71 9.275 10.131 -2.304 1.00 0.79 H new ATOM 0 HD11 LEU A 71 8.114 8.024 -1.836 1.00 1.89 H new ATOM 0 HD12 LEU A 71 9.751 7.738 -2.472 1.00 1.89 H new ATOM 0 HD13 LEU A 71 9.425 7.539 -0.734 1.00 1.89 H new ATOM 0 HD21 LEU A 71 7.660 10.092 -0.478 1.00 1.26 H new ATOM 0 HD22 LEU A 71 8.959 9.683 0.668 1.00 1.26 H new ATOM 0 HD23 LEU A 71 8.972 11.254 -0.168 1.00 1.26 H new ATOM 1105 N ARG A 72 11.651 11.152 1.387 1.00 0.77 N ATOM 1106 CA ARG A 72 11.385 12.171 2.370 1.00 0.79 C ATOM 1107 C ARG A 72 10.649 13.334 1.690 1.00 0.68 C ATOM 1108 O ARG A 72 9.990 14.134 2.349 1.00 0.75 O ATOM 1109 CB ARG A 72 12.705 12.671 2.955 1.00 0.91 C ATOM 1110 CG ARG A 72 13.763 11.592 3.079 1.00 1.00 C ATOM 1111 CD ARG A 72 13.257 10.396 3.860 1.00 1.06 C ATOM 1112 NE ARG A 72 12.637 10.783 5.124 1.00 1.30 N ATOM 1113 CZ ARG A 72 11.805 10.001 5.804 1.00 1.18 C ATOM 1114 NH1 ARG A 72 11.492 8.799 5.339 1.00 1.56 N ATOM 1115 NH2 ARG A 72 11.283 10.421 6.948 1.00 1.42 N ATOM 0 H ARG A 72 12.374 11.410 0.716 1.00 0.77 H new ATOM 0 HA ARG A 72 10.770 11.763 3.172 1.00 0.79 H new ATOM 0 HB2 ARG A 72 13.090 13.474 2.327 1.00 0.91 H new ATOM 0 HB3 ARG A 72 12.517 13.099 3.940 1.00 0.91 H new ATOM 0 HG2 ARG A 72 14.074 11.272 2.085 1.00 1.00 H new ATOM 0 HG3 ARG A 72 14.644 12.002 3.572 1.00 1.00 H new ATOM 0 HD2 ARG A 72 12.534 9.849 3.255 1.00 1.06 H new ATOM 0 HD3 ARG A 72 14.086 9.716 4.057 1.00 1.06 H new ATOM 0 HE ARG A 72 12.854 11.704 5.506 1.00 1.30 H new ATOM 0 HH11 ARG A 72 11.890 8.473 4.458 1.00 1.56 H new ATOM 0 HH12 ARG A 72 10.853 8.200 5.862 1.00 1.56 H new ATOM 0 HH21 ARG A 72 11.520 11.346 7.308 1.00 1.42 H new ATOM 0 HH22 ARG A 72 10.645 9.819 7.469 1.00 1.42 H new ATOM 1129 N PHE A 73 10.750 13.393 0.349 1.00 0.60 N ATOM 1130 CA PHE A 73 10.139 14.465 -0.436 1.00 0.57 C ATOM 1131 C PHE A 73 8.900 14.035 -1.255 1.00 0.51 C ATOM 1132 O PHE A 73 7.889 13.642 -0.675 1.00 0.63 O ATOM 1133 CB PHE A 73 11.187 15.149 -1.333 1.00 0.64 C ATOM 1134 CG PHE A 73 12.163 14.237 -2.054 1.00 0.58 C ATOM 1135 CD1 PHE A 73 11.890 12.893 -2.307 1.00 1.24 C ATOM 1136 CD2 PHE A 73 13.372 14.752 -2.493 1.00 1.36 C ATOM 1137 CE1 PHE A 73 12.802 12.100 -2.974 1.00 1.31 C ATOM 1138 CE2 PHE A 73 14.285 13.959 -3.158 1.00 1.44 C ATOM 1139 CZ PHE A 73 14.000 12.633 -3.400 1.00 0.86 C ATOM 0 H PHE A 73 11.253 12.704 -0.210 1.00 0.60 H new ATOM 0 HA PHE A 73 9.763 15.183 0.293 1.00 0.57 H new ATOM 0 HB2 PHE A 73 10.661 15.743 -2.080 1.00 0.64 H new ATOM 0 HB3 PHE A 73 11.760 15.844 -0.719 1.00 0.64 H new ATOM 0 HD1 PHE A 73 10.954 12.467 -1.977 1.00 1.24 H new ATOM 0 HD2 PHE A 73 13.604 15.791 -2.312 1.00 1.36 H new ATOM 0 HE1 PHE A 73 12.577 11.061 -3.162 1.00 1.31 H new ATOM 0 HE2 PHE A 73 15.224 14.378 -3.489 1.00 1.44 H new ATOM 0 HZ PHE A 73 14.713 12.013 -3.922 1.00 0.86 H new ATOM 1149 N SER A 74 8.973 14.091 -2.600 1.00 0.48 N ATOM 1150 CA SER A 74 7.805 13.783 -3.441 1.00 0.46 C ATOM 1151 C SER A 74 7.927 12.489 -4.194 1.00 0.42 C ATOM 1152 O SER A 74 7.079 12.167 -5.024 1.00 0.47 O ATOM 1153 CB SER A 74 7.533 14.908 -4.441 1.00 0.60 C ATOM 1154 OG SER A 74 8.742 15.509 -4.873 1.00 1.01 O ATOM 0 H SER A 74 9.815 14.343 -3.118 1.00 0.48 H new ATOM 0 HA SER A 74 6.973 13.684 -2.744 1.00 0.46 H new ATOM 0 HB2 SER A 74 6.992 14.512 -5.301 1.00 0.60 H new ATOM 0 HB3 SER A 74 6.893 15.661 -3.981 1.00 0.60 H new ATOM 0 HG SER A 74 8.542 16.224 -5.513 1.00 1.01 H new ATOM 1160 N GLU A 75 8.955 11.741 -3.911 1.00 0.43 N ATOM 1161 CA GLU A 75 9.127 10.469 -4.570 1.00 0.42 C ATOM 1162 C GLU A 75 8.065 9.466 -4.082 1.00 0.42 C ATOM 1163 O GLU A 75 7.959 8.371 -4.618 1.00 0.55 O ATOM 1164 CB GLU A 75 10.523 9.925 -4.251 1.00 0.44 C ATOM 1165 CG GLU A 75 11.608 10.259 -5.235 1.00 0.60 C ATOM 1166 CD GLU A 75 11.451 9.548 -6.564 1.00 0.93 C ATOM 1167 OE1 GLU A 75 10.808 8.477 -6.593 1.00 1.60 O ATOM 1168 OE2 GLU A 75 11.969 10.063 -7.577 1.00 1.42 O ATOM 0 H GLU A 75 9.682 11.982 -3.237 1.00 0.43 H new ATOM 0 HA GLU A 75 9.015 10.606 -5.646 1.00 0.42 H new ATOM 0 HB2 GLU A 75 10.821 10.301 -3.272 1.00 0.44 H new ATOM 0 HB3 GLU A 75 10.457 8.840 -4.169 1.00 0.44 H new ATOM 0 HG2 GLU A 75 11.616 11.336 -5.405 1.00 0.60 H new ATOM 0 HG3 GLU A 75 12.574 9.998 -4.803 1.00 0.60 H new ATOM 1175 N TYR A 76 7.287 9.858 -3.040 1.00 0.38 N ATOM 1176 CA TYR A 76 6.275 8.991 -2.404 1.00 0.38 C ATOM 1177 C TYR A 76 5.556 8.101 -3.383 1.00 0.39 C ATOM 1178 O TYR A 76 5.163 6.993 -3.036 1.00 0.43 O ATOM 1179 CB TYR A 76 5.269 9.811 -1.588 1.00 0.40 C ATOM 1180 CG TYR A 76 5.541 9.861 -0.099 1.00 0.41 C ATOM 1181 CD1 TYR A 76 6.312 8.894 0.523 1.00 1.29 C ATOM 1182 CD2 TYR A 76 5.066 10.910 0.676 1.00 1.22 C ATOM 1183 CE1 TYR A 76 6.608 8.953 1.847 1.00 1.30 C ATOM 1184 CE2 TYR A 76 5.352 10.976 2.027 1.00 1.25 C ATOM 1185 CZ TYR A 76 6.130 9.996 2.610 1.00 0.49 C ATOM 1186 OH TYR A 76 6.428 10.060 3.952 1.00 0.55 O ATOM 0 H TYR A 76 7.348 10.786 -2.621 1.00 0.38 H new ATOM 0 HA TYR A 76 6.827 8.337 -1.729 1.00 0.38 H new ATOM 0 HB2 TYR A 76 5.256 10.830 -1.974 1.00 0.40 H new ATOM 0 HB3 TYR A 76 4.273 9.398 -1.746 1.00 0.40 H new ATOM 0 HD1 TYR A 76 6.689 8.068 -0.062 1.00 1.29 H new ATOM 0 HD2 TYR A 76 4.466 11.683 0.219 1.00 1.22 H new ATOM 0 HE1 TYR A 76 7.216 8.185 2.301 1.00 1.30 H new ATOM 0 HE2 TYR A 76 4.968 11.791 2.624 1.00 1.25 H new ATOM 0 HH TYR A 76 6.014 10.858 4.341 1.00 0.55 H new ATOM 1196 N TRP A 77 5.442 8.538 -4.612 1.00 0.39 N ATOM 1197 CA TRP A 77 4.808 7.720 -5.632 1.00 0.43 C ATOM 1198 C TRP A 77 5.539 6.378 -5.740 1.00 0.45 C ATOM 1199 O TRP A 77 5.058 5.456 -6.393 1.00 0.49 O ATOM 1200 CB TRP A 77 4.842 8.423 -6.982 1.00 0.44 C ATOM 1201 CG TRP A 77 6.236 8.627 -7.465 1.00 0.44 C ATOM 1202 CD1 TRP A 77 7.128 7.659 -7.811 1.00 0.49 C ATOM 1203 CD2 TRP A 77 6.907 9.874 -7.634 1.00 0.45 C ATOM 1204 NE1 TRP A 77 8.314 8.226 -8.183 1.00 0.52 N ATOM 1205 CE2 TRP A 77 8.205 9.590 -8.089 1.00 0.50 C ATOM 1206 CE3 TRP A 77 6.531 11.202 -7.447 1.00 0.46 C ATOM 1207 CZ2 TRP A 77 9.133 10.592 -8.358 1.00 0.55 C ATOM 1208 CZ3 TRP A 77 7.448 12.196 -7.712 1.00 0.51 C ATOM 1209 CH2 TRP A 77 8.738 11.889 -8.165 1.00 0.55 C ATOM 0 H TRP A 77 5.775 9.446 -4.935 1.00 0.39 H new ATOM 0 HA TRP A 77 3.769 7.555 -5.348 1.00 0.43 H new ATOM 0 HB2 TRP A 77 4.287 7.834 -7.712 1.00 0.44 H new ATOM 0 HB3 TRP A 77 4.340 9.387 -6.902 1.00 0.44 H new ATOM 0 HD1 TRP A 77 6.928 6.598 -7.794 1.00 0.49 H new ATOM 0 HE1 TRP A 77 9.146 7.717 -8.482 1.00 0.52 H new ATOM 0 HE3 TRP A 77 5.538 11.448 -7.100 1.00 0.46 H new ATOM 0 HZ2 TRP A 77 10.128 10.355 -8.706 1.00 0.55 H new ATOM 0 HZ3 TRP A 77 7.168 13.229 -7.568 1.00 0.51 H new ATOM 0 HH2 TRP A 77 9.434 12.690 -8.366 1.00 0.55 H new ATOM 1220 N ARG A 78 6.721 6.279 -5.116 1.00 0.43 N ATOM 1221 CA ARG A 78 7.484 5.061 -5.137 1.00 0.47 C ATOM 1222 C ARG A 78 6.816 4.082 -4.200 1.00 0.49 C ATOM 1223 O ARG A 78 6.577 2.933 -4.564 1.00 0.61 O ATOM 1224 CB ARG A 78 8.933 5.338 -4.732 1.00 0.50 C ATOM 1225 CG ARG A 78 9.789 5.868 -5.869 1.00 0.60 C ATOM 1226 CD ARG A 78 9.870 4.870 -7.011 1.00 0.77 C ATOM 1227 NE ARG A 78 10.088 3.508 -6.530 1.00 1.48 N ATOM 1228 CZ ARG A 78 9.807 2.422 -7.243 1.00 1.75 C ATOM 1229 NH1 ARG A 78 9.310 2.540 -8.466 1.00 1.37 N ATOM 1230 NH2 ARG A 78 10.022 1.216 -6.733 1.00 2.82 N ATOM 0 H ARG A 78 7.155 7.040 -4.594 1.00 0.43 H new ATOM 0 HA ARG A 78 7.513 4.637 -6.141 1.00 0.47 H new ATOM 0 HB2 ARG A 78 8.942 6.059 -3.914 1.00 0.50 H new ATOM 0 HB3 ARG A 78 9.378 4.419 -4.351 1.00 0.50 H new ATOM 0 HG2 ARG A 78 9.373 6.807 -6.233 1.00 0.60 H new ATOM 0 HG3 ARG A 78 10.792 6.085 -5.501 1.00 0.60 H new ATOM 0 HD2 ARG A 78 8.948 4.907 -7.591 1.00 0.77 H new ATOM 0 HD3 ARG A 78 10.681 5.152 -7.683 1.00 0.77 H new ATOM 0 HE ARG A 78 10.477 3.384 -5.595 1.00 1.48 H new ATOM 0 HH11 ARG A 78 9.143 3.465 -8.861 1.00 1.37 H new ATOM 0 HH12 ARG A 78 9.095 1.706 -9.012 1.00 1.37 H new ATOM 0 HH21 ARG A 78 10.404 1.121 -5.792 1.00 2.82 H new ATOM 0 HH22 ARG A 78 9.806 0.384 -7.282 1.00 2.82 H new ATOM 1244 N LEU A 79 6.477 4.560 -2.992 1.00 0.43 N ATOM 1245 CA LEU A 79 5.774 3.728 -2.019 1.00 0.46 C ATOM 1246 C LEU A 79 4.601 3.051 -2.685 1.00 0.47 C ATOM 1247 O LEU A 79 4.190 1.954 -2.307 1.00 0.53 O ATOM 1248 CB LEU A 79 5.197 4.553 -0.880 1.00 0.55 C ATOM 1249 CG LEU A 79 6.044 5.697 -0.366 1.00 0.63 C ATOM 1250 CD1 LEU A 79 5.409 6.236 0.907 1.00 1.24 C ATOM 1251 CD2 LEU A 79 7.461 5.232 -0.114 1.00 0.89 C ATOM 0 H LEU A 79 6.678 5.508 -2.674 1.00 0.43 H new ATOM 0 HA LEU A 79 6.501 3.013 -1.633 1.00 0.46 H new ATOM 0 HB2 LEU A 79 4.240 4.960 -1.207 1.00 0.55 H new ATOM 0 HB3 LEU A 79 4.991 3.882 -0.046 1.00 0.55 H new ATOM 0 HG LEU A 79 6.089 6.492 -1.110 1.00 0.63 H new ATOM 0 HD11 LEU A 79 6.008 7.062 1.291 1.00 1.24 H new ATOM 0 HD12 LEU A 79 4.401 6.589 0.689 1.00 1.24 H new ATOM 0 HD13 LEU A 79 5.363 5.444 1.654 1.00 1.24 H new ATOM 0 HD21 LEU A 79 8.057 6.066 0.255 1.00 0.89 H new ATOM 0 HD22 LEU A 79 7.455 4.434 0.628 1.00 0.89 H new ATOM 0 HD23 LEU A 79 7.893 4.861 -1.043 1.00 0.89 H new ATOM 1263 N ILE A 80 4.067 3.727 -3.690 1.00 0.46 N ATOM 1264 CA ILE A 80 2.920 3.242 -4.412 1.00 0.49 C ATOM 1265 C ILE A 80 3.052 1.754 -4.759 1.00 0.49 C ATOM 1266 O ILE A 80 2.176 0.954 -4.429 1.00 0.51 O ATOM 1267 CB ILE A 80 2.646 4.140 -5.654 1.00 0.53 C ATOM 1268 CG1 ILE A 80 1.145 4.388 -5.816 1.00 0.60 C ATOM 1269 CG2 ILE A 80 3.223 3.558 -6.933 1.00 0.57 C ATOM 1270 CD1 ILE A 80 0.805 5.302 -6.974 1.00 1.16 C ATOM 0 H ILE A 80 4.421 4.624 -4.021 1.00 0.46 H new ATOM 0 HA ILE A 80 2.045 3.312 -3.766 1.00 0.49 H new ATOM 0 HB ILE A 80 3.152 5.089 -5.475 1.00 0.53 H new ATOM 0 HG12 ILE A 80 0.640 3.432 -5.958 1.00 0.60 H new ATOM 0 HG13 ILE A 80 0.755 4.821 -4.895 1.00 0.60 H new ATOM 0 HG21 ILE A 80 3.003 4.224 -7.767 1.00 0.57 H new ATOM 0 HG22 ILE A 80 4.303 3.451 -6.829 1.00 0.57 H new ATOM 0 HG23 ILE A 80 2.778 2.581 -7.121 1.00 0.57 H new ATOM 0 HD11 ILE A 80 -0.276 5.433 -7.029 1.00 1.16 H new ATOM 0 HD12 ILE A 80 1.281 6.271 -6.825 1.00 1.16 H new ATOM 0 HD13 ILE A 80 1.164 4.861 -7.904 1.00 1.16 H new ATOM 1282 N GLY A 81 4.140 1.392 -5.423 1.00 0.48 N ATOM 1283 CA GLY A 81 4.372 -0.001 -5.754 1.00 0.49 C ATOM 1284 C GLY A 81 4.970 -0.770 -4.584 1.00 0.43 C ATOM 1285 O GLY A 81 5.142 -1.987 -4.653 1.00 0.43 O ATOM 0 H GLY A 81 4.866 2.036 -5.738 1.00 0.48 H new ATOM 0 HA2 GLY A 81 3.432 -0.465 -6.051 1.00 0.49 H new ATOM 0 HA3 GLY A 81 5.043 -0.064 -6.611 1.00 0.49 H new ATOM 1289 N GLU A 82 5.283 -0.049 -3.505 1.00 0.41 N ATOM 1290 CA GLU A 82 5.887 -0.651 -2.314 1.00 0.39 C ATOM 1291 C GLU A 82 4.834 -1.285 -1.421 1.00 0.33 C ATOM 1292 O GLU A 82 4.862 -2.485 -1.163 1.00 0.34 O ATOM 1293 CB GLU A 82 6.639 0.400 -1.512 1.00 0.43 C ATOM 1294 CG GLU A 82 7.773 1.074 -2.274 1.00 0.46 C ATOM 1295 CD GLU A 82 8.642 0.082 -3.023 1.00 0.71 C ATOM 1296 OE1 GLU A 82 9.609 -0.432 -2.424 1.00 1.47 O ATOM 1297 OE2 GLU A 82 8.354 -0.181 -4.210 1.00 1.39 O ATOM 0 H GLU A 82 5.127 0.956 -3.432 1.00 0.41 H new ATOM 0 HA GLU A 82 6.576 -1.424 -2.655 1.00 0.39 H new ATOM 0 HB2 GLU A 82 5.934 1.163 -1.183 1.00 0.43 H new ATOM 0 HB3 GLU A 82 7.046 -0.066 -0.615 1.00 0.43 H new ATOM 0 HG2 GLU A 82 7.355 1.791 -2.980 1.00 0.46 H new ATOM 0 HG3 GLU A 82 8.391 1.638 -1.575 1.00 0.46 H new ATOM 1304 N LEU A 83 3.923 -0.456 -0.915 1.00 0.34 N ATOM 1305 CA LEU A 83 2.849 -0.937 -0.051 1.00 0.35 C ATOM 1306 C LEU A 83 2.140 -2.093 -0.723 1.00 0.35 C ATOM 1307 O LEU A 83 1.544 -2.944 -0.062 1.00 0.43 O ATOM 1308 CB LEU A 83 1.859 0.190 0.263 1.00 0.43 C ATOM 1309 CG LEU A 83 2.366 1.265 1.233 1.00 0.50 C ATOM 1310 CD1 LEU A 83 3.485 2.082 0.604 1.00 1.26 C ATOM 1311 CD2 LEU A 83 1.222 2.173 1.661 1.00 1.31 C ATOM 0 H LEU A 83 3.908 0.549 -1.088 1.00 0.34 H new ATOM 0 HA LEU A 83 3.278 -1.278 0.891 1.00 0.35 H new ATOM 0 HB2 LEU A 83 1.578 0.674 -0.672 1.00 0.43 H new ATOM 0 HB3 LEU A 83 0.953 -0.251 0.679 1.00 0.43 H new ATOM 0 HG LEU A 83 2.766 0.765 2.115 1.00 0.50 H new ATOM 0 HD11 LEU A 83 3.827 2.837 1.312 1.00 1.26 H new ATOM 0 HD12 LEU A 83 4.315 1.424 0.346 1.00 1.26 H new ATOM 0 HD13 LEU A 83 3.116 2.571 -0.298 1.00 1.26 H new ATOM 0 HD21 LEU A 83 1.597 2.931 2.349 1.00 1.31 H new ATOM 0 HD22 LEU A 83 0.795 2.659 0.784 1.00 1.31 H new ATOM 0 HD23 LEU A 83 0.453 1.581 2.157 1.00 1.31 H new ATOM 1323 N ALA A 84 2.211 -2.120 -2.046 1.00 0.34 N ATOM 1324 CA ALA A 84 1.610 -3.195 -2.801 1.00 0.37 C ATOM 1325 C ALA A 84 2.484 -4.428 -2.728 1.00 0.41 C ATOM 1326 O ALA A 84 1.994 -5.551 -2.775 1.00 0.48 O ATOM 1327 CB ALA A 84 1.393 -2.786 -4.238 1.00 0.42 C ATOM 0 H ALA A 84 2.678 -1.411 -2.611 1.00 0.34 H new ATOM 0 HA ALA A 84 0.638 -3.424 -2.365 1.00 0.37 H new ATOM 0 HB1 ALA A 84 0.940 -3.611 -4.787 1.00 0.42 H new ATOM 0 HB2 ALA A 84 0.732 -1.920 -4.274 1.00 0.42 H new ATOM 0 HB3 ALA A 84 2.350 -2.531 -4.692 1.00 0.42 H new ATOM 1333 N LYS A 85 3.795 -4.210 -2.605 1.00 0.42 N ATOM 1334 CA LYS A 85 4.752 -5.306 -2.472 1.00 0.51 C ATOM 1335 C LYS A 85 4.233 -6.313 -1.487 1.00 0.50 C ATOM 1336 O LYS A 85 4.551 -7.474 -1.570 1.00 0.67 O ATOM 1337 CB LYS A 85 6.105 -4.783 -2.005 1.00 0.62 C ATOM 1338 CG LYS A 85 7.267 -5.575 -2.561 1.00 1.18 C ATOM 1339 CD LYS A 85 7.414 -5.348 -4.054 1.00 1.42 C ATOM 1340 CE LYS A 85 7.947 -3.954 -4.349 1.00 1.55 C ATOM 1341 NZ LYS A 85 7.989 -3.675 -5.810 1.00 2.69 N ATOM 0 H LYS A 85 4.217 -3.281 -2.595 1.00 0.42 H new ATOM 0 HA LYS A 85 4.878 -5.778 -3.446 1.00 0.51 H new ATOM 0 HB2 LYS A 85 6.208 -3.740 -2.303 1.00 0.62 H new ATOM 0 HB3 LYS A 85 6.142 -4.809 -0.916 1.00 0.62 H new ATOM 0 HG2 LYS A 85 8.186 -5.284 -2.053 1.00 1.18 H new ATOM 0 HG3 LYS A 85 7.116 -6.636 -2.364 1.00 1.18 H new ATOM 0 HD2 LYS A 85 8.089 -6.094 -4.473 1.00 1.42 H new ATOM 0 HD3 LYS A 85 6.448 -5.482 -4.542 1.00 1.42 H new ATOM 0 HE2 LYS A 85 7.318 -3.213 -3.856 1.00 1.55 H new ATOM 0 HE3 LYS A 85 8.948 -3.852 -3.931 1.00 1.55 H new ATOM 0 HZ1 LYS A 85 8.358 -2.716 -5.970 1.00 2.69 H new ATOM 0 HZ2 LYS A 85 8.609 -4.367 -6.278 1.00 2.69 H new ATOM 0 HZ3 LYS A 85 7.030 -3.747 -6.205 1.00 2.69 H new ATOM 1355 N GLU A 86 3.434 -5.846 -0.556 1.00 0.45 N ATOM 1356 CA GLU A 86 2.840 -6.711 0.428 1.00 0.45 C ATOM 1357 C GLU A 86 1.628 -7.421 -0.149 1.00 0.44 C ATOM 1358 O GLU A 86 1.528 -8.643 -0.103 1.00 0.46 O ATOM 1359 CB GLU A 86 2.455 -5.879 1.644 1.00 0.48 C ATOM 1360 CG GLU A 86 3.541 -4.941 2.055 1.00 0.98 C ATOM 1361 CD GLU A 86 4.896 -5.609 2.157 1.00 2.08 C ATOM 1362 OE1 GLU A 86 4.985 -6.674 2.792 1.00 2.91 O ATOM 1363 OE2 GLU A 86 5.868 -5.066 1.593 1.00 2.61 O ATOM 0 H GLU A 86 3.181 -4.862 -0.462 1.00 0.45 H new ATOM 0 HA GLU A 86 3.557 -7.476 0.726 1.00 0.45 H new ATOM 0 HB2 GLU A 86 1.552 -5.311 1.422 1.00 0.48 H new ATOM 0 HB3 GLU A 86 2.217 -6.543 2.475 1.00 0.48 H new ATOM 0 HG2 GLU A 86 3.599 -4.124 1.336 1.00 0.98 H new ATOM 0 HG3 GLU A 86 3.287 -4.500 3.019 1.00 0.98 H new ATOM 1370 N VAL A 87 0.731 -6.641 -0.726 1.00 0.44 N ATOM 1371 CA VAL A 87 -0.493 -7.171 -1.301 1.00 0.46 C ATOM 1372 C VAL A 87 -0.237 -7.986 -2.572 1.00 0.47 C ATOM 1373 O VAL A 87 -1.067 -8.802 -2.970 1.00 0.54 O ATOM 1374 CB VAL A 87 -1.478 -6.020 -1.612 1.00 0.54 C ATOM 1375 CG1 VAL A 87 -2.702 -6.518 -2.369 1.00 1.00 C ATOM 1376 CG2 VAL A 87 -1.892 -5.318 -0.327 1.00 0.81 C ATOM 0 H VAL A 87 0.829 -5.629 -0.809 1.00 0.44 H new ATOM 0 HA VAL A 87 -0.927 -7.843 -0.561 1.00 0.46 H new ATOM 0 HB VAL A 87 -0.964 -5.305 -2.255 1.00 0.54 H new ATOM 0 HG11 VAL A 87 -3.371 -5.681 -2.570 1.00 1.00 H new ATOM 0 HG12 VAL A 87 -2.389 -6.967 -3.312 1.00 1.00 H new ATOM 0 HG13 VAL A 87 -3.223 -7.263 -1.768 1.00 1.00 H new ATOM 0 HG21 VAL A 87 -2.585 -4.510 -0.561 1.00 0.81 H new ATOM 0 HG22 VAL A 87 -2.378 -6.032 0.338 1.00 0.81 H new ATOM 0 HG23 VAL A 87 -1.010 -4.908 0.164 1.00 0.81 H new ATOM 1386 N ARG A 88 0.906 -7.769 -3.196 1.00 0.50 N ATOM 1387 CA ARG A 88 1.240 -8.465 -4.434 1.00 0.52 C ATOM 1388 C ARG A 88 1.167 -9.986 -4.287 1.00 0.50 C ATOM 1389 O ARG A 88 0.239 -10.612 -4.795 1.00 0.59 O ATOM 1390 CB ARG A 88 2.625 -8.035 -4.919 1.00 0.56 C ATOM 1391 CG ARG A 88 2.807 -8.157 -6.424 1.00 0.67 C ATOM 1392 CD ARG A 88 2.641 -9.592 -6.899 1.00 1.33 C ATOM 1393 NE ARG A 88 3.589 -10.497 -6.256 1.00 1.83 N ATOM 1394 CZ ARG A 88 3.655 -11.799 -6.516 1.00 2.72 C ATOM 1395 NH1 ARG A 88 2.837 -12.342 -7.406 1.00 3.25 N ATOM 1396 NH2 ARG A 88 4.544 -12.557 -5.890 1.00 3.50 N ATOM 0 H ARG A 88 1.621 -7.118 -2.870 1.00 0.50 H new ATOM 0 HA ARG A 88 0.494 -8.185 -5.178 1.00 0.52 H new ATOM 0 HB2 ARG A 88 2.800 -7.001 -4.623 1.00 0.56 H new ATOM 0 HB3 ARG A 88 3.380 -8.642 -4.420 1.00 0.56 H new ATOM 0 HG2 ARG A 88 2.082 -7.520 -6.931 1.00 0.67 H new ATOM 0 HG3 ARG A 88 3.797 -7.795 -6.701 1.00 0.67 H new ATOM 0 HD2 ARG A 88 1.624 -9.926 -6.692 1.00 1.33 H new ATOM 0 HD3 ARG A 88 2.777 -9.634 -7.980 1.00 1.33 H new ATOM 0 HE ARG A 88 4.236 -10.109 -5.570 1.00 1.83 H new ATOM 0 HH11 ARG A 88 2.155 -11.761 -7.893 1.00 3.25 H new ATOM 0 HH12 ARG A 88 2.889 -13.341 -7.604 1.00 3.25 H new ATOM 0 HH21 ARG A 88 5.178 -12.141 -5.208 1.00 3.50 H new ATOM 0 HH22 ARG A 88 4.594 -13.556 -6.090 1.00 3.50 H new ATOM 1410 N LYS A 89 2.137 -10.577 -3.600 1.00 0.47 N ATOM 1411 CA LYS A 89 2.157 -12.031 -3.426 1.00 0.49 C ATOM 1412 C LYS A 89 1.057 -12.466 -2.484 1.00 0.49 C ATOM 1413 O LYS A 89 0.536 -13.578 -2.590 1.00 0.55 O ATOM 1414 CB LYS A 89 3.520 -12.540 -2.936 1.00 0.56 C ATOM 1415 CG LYS A 89 3.809 -12.358 -1.447 1.00 0.70 C ATOM 1416 CD LYS A 89 4.984 -11.433 -1.227 1.00 1.55 C ATOM 1417 CE LYS A 89 4.683 -10.019 -1.617 1.00 2.44 C ATOM 1418 NZ LYS A 89 5.196 -9.680 -2.977 1.00 3.29 N ATOM 0 H LYS A 89 2.912 -10.083 -3.158 1.00 0.47 H new ATOM 0 HA LYS A 89 1.982 -12.476 -4.406 1.00 0.49 H new ATOM 0 HB2 LYS A 89 3.595 -13.601 -3.173 1.00 0.56 H new ATOM 0 HB3 LYS A 89 4.300 -12.031 -3.502 1.00 0.56 H new ATOM 0 HG2 LYS A 89 2.927 -11.955 -0.949 1.00 0.70 H new ATOM 0 HG3 LYS A 89 4.016 -13.327 -0.993 1.00 0.70 H new ATOM 0 HD2 LYS A 89 5.274 -11.463 -0.177 1.00 1.55 H new ATOM 0 HD3 LYS A 89 5.837 -11.791 -1.803 1.00 1.55 H new ATOM 0 HE2 LYS A 89 3.605 -9.859 -1.588 1.00 2.44 H new ATOM 0 HE3 LYS A 89 5.125 -9.342 -0.886 1.00 2.44 H new ATOM 0 HZ1 LYS A 89 5.038 -8.670 -3.166 1.00 3.29 H new ATOM 0 HZ2 LYS A 89 6.214 -9.886 -3.025 1.00 3.29 H new ATOM 0 HZ3 LYS A 89 4.694 -10.248 -3.689 1.00 3.29 H new ATOM 1432 N GLU A 90 0.698 -11.585 -1.564 1.00 0.47 N ATOM 1433 CA GLU A 90 -0.364 -11.883 -0.628 1.00 0.52 C ATOM 1434 C GLU A 90 -1.711 -11.947 -1.351 1.00 0.55 C ATOM 1435 O GLU A 90 -2.705 -12.388 -0.779 1.00 0.62 O ATOM 1436 CB GLU A 90 -0.389 -10.853 0.509 1.00 0.55 C ATOM 1437 CG GLU A 90 0.666 -11.118 1.569 1.00 0.62 C ATOM 1438 CD GLU A 90 0.516 -12.479 2.220 1.00 1.26 C ATOM 1439 OE1 GLU A 90 0.979 -13.476 1.626 1.00 1.95 O ATOM 1440 OE2 GLU A 90 -0.059 -12.546 3.327 1.00 1.97 O ATOM 0 H GLU A 90 1.125 -10.666 -1.449 1.00 0.47 H new ATOM 0 HA GLU A 90 -0.174 -12.861 -0.185 1.00 0.52 H new ATOM 0 HB2 GLU A 90 -0.237 -9.857 0.094 1.00 0.55 H new ATOM 0 HB3 GLU A 90 -1.374 -10.857 0.975 1.00 0.55 H new ATOM 0 HG2 GLU A 90 1.655 -11.043 1.117 1.00 0.62 H new ATOM 0 HG3 GLU A 90 0.607 -10.345 2.335 1.00 0.62 H new ATOM 1447 N LYS A 91 -1.737 -11.524 -2.622 1.00 0.54 N ATOM 1448 CA LYS A 91 -2.964 -11.550 -3.406 1.00 0.61 C ATOM 1449 C LYS A 91 -3.494 -12.970 -3.538 1.00 0.63 C ATOM 1450 O LYS A 91 -4.667 -13.240 -3.280 1.00 0.70 O ATOM 1451 CB LYS A 91 -2.738 -10.929 -4.793 1.00 0.62 C ATOM 1452 CG LYS A 91 -2.061 -11.853 -5.795 1.00 0.61 C ATOM 1453 CD LYS A 91 -1.790 -11.142 -7.110 1.00 0.67 C ATOM 1454 CE LYS A 91 -1.172 -12.078 -8.133 1.00 0.70 C ATOM 1455 NZ LYS A 91 -2.051 -13.245 -8.420 1.00 1.38 N ATOM 0 H LYS A 91 -0.924 -11.163 -3.121 1.00 0.54 H new ATOM 0 HA LYS A 91 -3.711 -10.955 -2.881 1.00 0.61 H new ATOM 0 HB2 LYS A 91 -3.700 -10.617 -5.198 1.00 0.62 H new ATOM 0 HB3 LYS A 91 -2.132 -10.030 -4.680 1.00 0.62 H new ATOM 0 HG2 LYS A 91 -1.123 -12.220 -5.378 1.00 0.61 H new ATOM 0 HG3 LYS A 91 -2.692 -12.723 -5.974 1.00 0.61 H new ATOM 0 HD2 LYS A 91 -2.722 -10.736 -7.504 1.00 0.67 H new ATOM 0 HD3 LYS A 91 -1.122 -10.298 -6.937 1.00 0.67 H new ATOM 0 HE2 LYS A 91 -0.981 -11.531 -9.057 1.00 0.70 H new ATOM 0 HE3 LYS A 91 -0.208 -12.431 -7.766 1.00 0.70 H new ATOM 0 HZ1 LYS A 91 -1.728 -13.718 -9.288 1.00 1.38 H new ATOM 0 HZ2 LYS A 91 -2.010 -13.914 -7.625 1.00 1.38 H new ATOM 0 HZ3 LYS A 91 -3.030 -12.919 -8.548 1.00 1.38 H new ATOM 1469 N ALA A 92 -2.615 -13.872 -3.944 1.00 0.61 N ATOM 1470 CA ALA A 92 -2.981 -15.274 -4.114 1.00 0.66 C ATOM 1471 C ALA A 92 -2.985 -16.020 -2.789 1.00 0.64 C ATOM 1472 O ALA A 92 -3.536 -17.112 -2.694 1.00 0.70 O ATOM 1473 CB ALA A 92 -2.042 -15.947 -5.105 1.00 0.75 C ATOM 0 H ALA A 92 -1.641 -13.661 -4.163 1.00 0.61 H new ATOM 0 HA ALA A 92 -3.996 -15.307 -4.509 1.00 0.66 H new ATOM 0 HB1 ALA A 92 -2.326 -16.993 -5.223 1.00 0.75 H new ATOM 0 HB2 ALA A 92 -2.108 -15.442 -6.069 1.00 0.75 H new ATOM 0 HB3 ALA A 92 -1.019 -15.889 -4.734 1.00 0.75 H new ATOM 1479 N LEU A 93 -2.329 -15.463 -1.783 1.00 0.62 N ATOM 1480 CA LEU A 93 -2.305 -16.091 -0.469 1.00 0.66 C ATOM 1481 C LEU A 93 -3.544 -15.736 0.347 1.00 0.59 C ATOM 1482 O LEU A 93 -3.992 -16.520 1.182 1.00 0.64 O ATOM 1483 CB LEU A 93 -1.039 -15.716 0.296 1.00 0.75 C ATOM 1484 CG LEU A 93 -0.985 -16.281 1.711 1.00 0.82 C ATOM 1485 CD1 LEU A 93 0.443 -16.637 2.089 1.00 1.03 C ATOM 1486 CD2 LEU A 93 -1.569 -15.290 2.707 1.00 0.95 C ATOM 0 H LEU A 93 -1.811 -14.587 -1.848 1.00 0.62 H new ATOM 0 HA LEU A 93 -2.306 -17.169 -0.628 1.00 0.66 H new ATOM 0 HB2 LEU A 93 -0.171 -16.071 -0.260 1.00 0.75 H new ATOM 0 HB3 LEU A 93 -0.964 -14.630 0.345 1.00 0.75 H new ATOM 0 HG LEU A 93 -1.586 -17.190 1.740 1.00 0.82 H new ATOM 0 HD11 LEU A 93 0.462 -17.039 3.102 1.00 1.03 H new ATOM 0 HD12 LEU A 93 0.827 -17.385 1.395 1.00 1.03 H new ATOM 0 HD13 LEU A 93 1.066 -15.744 2.041 1.00 1.03 H new ATOM 0 HD21 LEU A 93 -1.521 -15.712 3.711 1.00 0.95 H new ATOM 0 HD22 LEU A 93 -0.997 -14.363 2.676 1.00 0.95 H new ATOM 0 HD23 LEU A 93 -2.608 -15.084 2.449 1.00 0.95 H new ATOM 1498 N GLY A 94 -4.093 -14.554 0.100 1.00 0.53 N ATOM 1499 CA GLY A 94 -5.272 -14.112 0.828 1.00 0.52 C ATOM 1500 C GLY A 94 -6.343 -15.160 0.922 1.00 0.52 C ATOM 1501 O GLY A 94 -7.128 -15.159 1.868 1.00 0.57 O ATOM 0 H GLY A 94 -3.744 -13.891 -0.592 1.00 0.53 H new ATOM 0 HA2 GLY A 94 -4.978 -13.813 1.834 1.00 0.52 H new ATOM 0 HA3 GLY A 94 -5.681 -13.228 0.339 1.00 0.52 H new ATOM 1505 N ILE A 95 -6.402 -16.029 -0.071 1.00 0.54 N ATOM 1506 CA ILE A 95 -7.416 -17.074 -0.098 1.00 0.57 C ATOM 1507 C ILE A 95 -7.261 -18.080 1.031 1.00 0.61 C ATOM 1508 O ILE A 95 -7.048 -19.268 0.795 1.00 0.67 O ATOM 1509 CB ILE A 95 -7.438 -17.811 -1.443 1.00 0.63 C ATOM 1510 CG1 ILE A 95 -6.024 -18.081 -1.949 1.00 1.32 C ATOM 1511 CG2 ILE A 95 -8.199 -16.979 -2.442 1.00 1.09 C ATOM 1512 CD1 ILE A 95 -5.083 -18.625 -0.894 1.00 1.68 C ATOM 0 H ILE A 95 -5.764 -16.034 -0.867 1.00 0.54 H new ATOM 0 HA ILE A 95 -8.366 -16.559 0.042 1.00 0.57 H new ATOM 0 HB ILE A 95 -7.929 -18.775 -1.310 1.00 0.63 H new ATOM 0 HG12 ILE A 95 -6.075 -18.790 -2.776 1.00 1.32 H new ATOM 0 HG13 ILE A 95 -5.609 -17.155 -2.348 1.00 1.32 H new ATOM 0 HG21 ILE A 95 -8.221 -17.494 -3.403 1.00 1.09 H new ATOM 0 HG22 ILE A 95 -9.219 -16.828 -2.088 1.00 1.09 H new ATOM 0 HG23 ILE A 95 -7.709 -16.013 -2.559 1.00 1.09 H new ATOM 0 HD11 ILE A 95 -4.099 -18.790 -1.334 1.00 1.68 H new ATOM 0 HD12 ILE A 95 -5.000 -17.909 -0.077 1.00 1.68 H new ATOM 0 HD13 ILE A 95 -5.472 -19.569 -0.511 1.00 1.68 H new ATOM 1524 N ARG A 96 -7.382 -17.600 2.262 1.00 0.64 N ATOM 1525 CA ARG A 96 -7.304 -18.464 3.425 1.00 0.74 C ATOM 1526 C ARG A 96 -8.314 -19.598 3.274 1.00 0.82 C ATOM 1527 O ARG A 96 -8.164 -20.666 3.868 1.00 0.93 O ATOM 1528 CB ARG A 96 -7.591 -17.662 4.693 1.00 0.84 C ATOM 1529 CG ARG A 96 -6.493 -16.675 5.054 1.00 1.65 C ATOM 1530 CD ARG A 96 -5.175 -17.380 5.322 1.00 2.45 C ATOM 1531 NE ARG A 96 -5.291 -18.365 6.392 1.00 2.91 N ATOM 1532 CZ ARG A 96 -4.264 -19.062 6.865 1.00 3.85 C ATOM 1533 NH1 ARG A 96 -3.050 -18.879 6.364 1.00 4.47 N ATOM 1534 NH2 ARG A 96 -4.449 -19.942 7.839 1.00 4.48 N ATOM 0 H ARG A 96 -7.535 -16.615 2.477 1.00 0.64 H new ATOM 0 HA ARG A 96 -6.301 -18.883 3.503 1.00 0.74 H new ATOM 0 HB2 ARG A 96 -8.527 -17.119 4.565 1.00 0.84 H new ATOM 0 HB3 ARG A 96 -7.734 -18.352 5.524 1.00 0.84 H new ATOM 0 HG2 ARG A 96 -6.365 -15.959 4.242 1.00 1.65 H new ATOM 0 HG3 ARG A 96 -6.789 -16.107 5.936 1.00 1.65 H new ATOM 0 HD2 ARG A 96 -4.835 -17.872 4.411 1.00 2.45 H new ATOM 0 HD3 ARG A 96 -4.417 -16.643 5.588 1.00 2.45 H new ATOM 0 HE ARG A 96 -6.212 -18.527 6.799 1.00 2.91 H new ATOM 0 HH11 ARG A 96 -2.904 -18.202 5.615 1.00 4.47 H new ATOM 0 HH12 ARG A 96 -2.262 -19.415 6.728 1.00 4.47 H new ATOM 0 HH21 ARG A 96 -5.382 -20.085 8.227 1.00 4.48 H new ATOM 0 HH22 ARG A 96 -3.659 -20.476 8.201 1.00 4.48 H new ATOM 1548 N LYS A 97 -9.348 -19.345 2.467 1.00 0.83 N ATOM 1549 CA LYS A 97 -10.372 -20.343 2.202 1.00 0.95 C ATOM 1550 C LYS A 97 -9.938 -21.216 1.030 1.00 0.94 C ATOM 1551 O LYS A 97 -10.341 -20.987 -0.110 1.00 0.98 O ATOM 1552 CB LYS A 97 -11.740 -19.701 1.877 1.00 1.06 C ATOM 1553 CG LYS A 97 -11.804 -18.174 1.975 1.00 0.99 C ATOM 1554 CD LYS A 97 -11.769 -17.704 3.416 1.00 1.56 C ATOM 1555 CE LYS A 97 -11.506 -16.210 3.495 1.00 1.85 C ATOM 1556 NZ LYS A 97 -11.561 -15.708 4.895 1.00 2.92 N ATOM 0 H LYS A 97 -9.493 -18.456 1.989 1.00 0.83 H new ATOM 0 HA LYS A 97 -10.490 -20.942 3.105 1.00 0.95 H new ATOM 0 HB2 LYS A 97 -12.025 -19.993 0.866 1.00 1.06 H new ATOM 0 HB3 LYS A 97 -12.486 -20.120 2.552 1.00 1.06 H new ATOM 0 HG2 LYS A 97 -10.967 -17.739 1.430 1.00 0.99 H new ATOM 0 HG3 LYS A 97 -12.716 -17.816 1.497 1.00 0.99 H new ATOM 0 HD2 LYS A 97 -12.717 -17.936 3.901 1.00 1.56 H new ATOM 0 HD3 LYS A 97 -10.993 -18.243 3.959 1.00 1.56 H new ATOM 0 HE2 LYS A 97 -10.527 -15.991 3.070 1.00 1.85 H new ATOM 0 HE3 LYS A 97 -12.242 -15.680 2.890 1.00 1.85 H new ATOM 0 HZ1 LYS A 97 -11.376 -14.685 4.904 1.00 2.92 H new ATOM 0 HZ2 LYS A 97 -12.504 -15.893 5.293 1.00 2.92 H new ATOM 0 HZ3 LYS A 97 -10.842 -16.195 5.467 1.00 2.92 H new ATOM 1570 N LYS A 98 -9.105 -22.211 1.314 1.00 0.97 N ATOM 1571 CA LYS A 98 -8.623 -23.118 0.282 1.00 1.06 C ATOM 1572 C LYS A 98 -9.206 -24.515 0.466 1.00 1.22 C ATOM 1573 O LYS A 98 -10.277 -24.790 -0.114 1.00 1.61 O ATOM 1574 CB LYS A 98 -7.092 -23.180 0.290 1.00 1.08 C ATOM 1575 CG LYS A 98 -6.427 -22.076 -0.521 1.00 1.07 C ATOM 1576 CD LYS A 98 -5.071 -22.523 -1.046 1.00 1.51 C ATOM 1577 CE LYS A 98 -4.386 -21.424 -1.842 1.00 2.00 C ATOM 1578 NZ LYS A 98 -3.339 -21.966 -2.751 1.00 2.74 N ATOM 1579 OXT LYS A 98 -8.585 -25.324 1.188 1.00 1.70 O ATOM 0 H LYS A 98 -8.750 -22.409 2.250 1.00 0.97 H new ATOM 0 HA LYS A 98 -8.953 -22.732 -0.683 1.00 1.06 H new ATOM 0 HB2 LYS A 98 -6.741 -23.123 1.320 1.00 1.08 H new ATOM 0 HB3 LYS A 98 -6.775 -24.147 -0.101 1.00 1.08 H new ATOM 0 HG2 LYS A 98 -7.070 -21.796 -1.356 1.00 1.07 H new ATOM 0 HG3 LYS A 98 -6.306 -21.188 0.099 1.00 1.07 H new ATOM 0 HD2 LYS A 98 -4.436 -22.817 -0.210 1.00 1.51 H new ATOM 0 HD3 LYS A 98 -5.197 -23.404 -1.676 1.00 1.51 H new ATOM 0 HE2 LYS A 98 -5.129 -20.882 -2.427 1.00 2.00 H new ATOM 0 HE3 LYS A 98 -3.935 -20.706 -1.156 1.00 2.00 H new ATOM 0 HZ1 LYS A 98 -2.896 -21.185 -3.275 1.00 2.74 H new ATOM 0 HZ2 LYS A 98 -2.616 -22.461 -2.191 1.00 2.74 H new ATOM 0 HZ3 LYS A 98 -3.773 -22.631 -3.422 1.00 2.74 H new ATOM 1594 N MET B 1 18.871 -4.479 -2.231 1.00 0.65 N ATOM 1595 CA MET B 1 18.121 -5.748 -2.395 1.00 0.59 C ATOM 1596 C MET B 1 16.859 -5.535 -3.202 1.00 0.59 C ATOM 1597 O MET B 1 16.540 -4.415 -3.598 1.00 0.60 O ATOM 1598 CB MET B 1 17.760 -6.325 -1.028 1.00 0.58 C ATOM 1599 CG MET B 1 18.745 -7.372 -0.503 1.00 0.60 C ATOM 1600 SD MET B 1 20.471 -7.036 -0.946 1.00 0.94 S ATOM 1601 CE MET B 1 21.332 -8.309 -0.028 1.00 1.18 C ATOM 0 H1 MET B 1 19.732 -4.654 -1.674 1.00 0.65 H new ATOM 0 H2 MET B 1 19.133 -4.108 -3.166 1.00 0.65 H new ATOM 0 H3 MET B 1 18.275 -3.784 -1.738 1.00 0.65 H new ATOM 0 HA MET B 1 18.761 -6.449 -2.930 1.00 0.59 H new ATOM 0 HB2 MET B 1 17.698 -5.509 -0.308 1.00 0.58 H new ATOM 0 HB3 MET B 1 16.769 -6.774 -1.087 1.00 0.58 H new ATOM 0 HG2 MET B 1 18.661 -7.424 0.583 1.00 0.60 H new ATOM 0 HG3 MET B 1 18.463 -8.350 -0.892 1.00 0.60 H new ATOM 0 HE1 MET B 1 22.252 -8.575 -0.549 1.00 1.18 H new ATOM 0 HE2 MET B 1 21.574 -7.939 0.968 1.00 1.18 H new ATOM 0 HE3 MET B 1 20.696 -9.190 0.057 1.00 1.18 H new ATOM 1613 N ALA B 2 16.163 -6.626 -3.467 1.00 0.61 N ATOM 1614 CA ALA B 2 14.925 -6.568 -4.215 1.00 0.64 C ATOM 1615 C ALA B 2 13.749 -6.928 -3.343 1.00 0.62 C ATOM 1616 O ALA B 2 13.813 -7.879 -2.569 1.00 0.71 O ATOM 1617 CB ALA B 2 14.960 -7.498 -5.418 1.00 0.72 C ATOM 0 H ALA B 2 16.437 -7.564 -3.174 1.00 0.61 H new ATOM 0 HA ALA B 2 14.812 -5.542 -4.565 1.00 0.64 H new ATOM 0 HB1 ALA B 2 14.015 -7.430 -5.958 1.00 0.72 H new ATOM 0 HB2 ALA B 2 15.777 -7.208 -6.079 1.00 0.72 H new ATOM 0 HB3 ALA B 2 15.113 -8.523 -5.081 1.00 0.72 H new ATOM 1623 N ALA B 3 12.678 -6.170 -3.454 1.00 0.73 N ATOM 1624 CA ALA B 3 11.489 -6.482 -2.702 1.00 0.75 C ATOM 1625 C ALA B 3 10.914 -7.765 -3.285 1.00 0.65 C ATOM 1626 O ALA B 3 9.942 -7.743 -4.040 1.00 0.81 O ATOM 1627 CB ALA B 3 10.495 -5.342 -2.779 1.00 1.04 C ATOM 0 H ALA B 3 12.609 -5.345 -4.050 1.00 0.73 H new ATOM 0 HA ALA B 3 11.720 -6.622 -1.646 1.00 0.75 H new ATOM 0 HB1 ALA B 3 9.604 -5.597 -2.205 1.00 1.04 H new ATOM 0 HB2 ALA B 3 10.945 -4.438 -2.368 1.00 1.04 H new ATOM 0 HB3 ALA B 3 10.219 -5.169 -3.819 1.00 1.04 H new ATOM 1633 N GLU B 4 11.539 -8.884 -2.930 1.00 0.62 N ATOM 1634 CA GLU B 4 11.152 -10.185 -3.456 1.00 0.75 C ATOM 1635 C GLU B 4 9.756 -10.596 -2.973 1.00 0.74 C ATOM 1636 O GLU B 4 8.811 -10.597 -3.762 1.00 0.86 O ATOM 1637 CB GLU B 4 12.221 -11.231 -3.097 1.00 0.97 C ATOM 1638 CG GLU B 4 12.661 -11.227 -1.639 1.00 1.45 C ATOM 1639 CD GLU B 4 12.236 -12.480 -0.895 1.00 2.42 C ATOM 1640 OE1 GLU B 4 12.556 -13.590 -1.367 1.00 3.20 O ATOM 1641 OE2 GLU B 4 11.582 -12.349 0.161 1.00 3.02 O ATOM 0 H GLU B 4 12.321 -8.913 -2.275 1.00 0.62 H new ATOM 0 HA GLU B 4 11.092 -10.120 -4.542 1.00 0.75 H new ATOM 0 HB2 GLU B 4 11.836 -12.221 -3.342 1.00 0.97 H new ATOM 0 HB3 GLU B 4 13.096 -11.065 -3.725 1.00 0.97 H new ATOM 0 HG2 GLU B 4 13.746 -11.132 -1.591 1.00 1.45 H new ATOM 0 HG3 GLU B 4 12.242 -10.353 -1.140 1.00 1.45 H new ATOM 1648 N THR B 5 9.609 -10.941 -1.695 1.00 0.70 N ATOM 1649 CA THR B 5 8.308 -11.319 -1.172 1.00 0.75 C ATOM 1650 C THR B 5 7.558 -10.092 -0.609 1.00 0.62 C ATOM 1651 O THR B 5 7.226 -9.181 -1.366 1.00 0.79 O ATOM 1652 CB THR B 5 8.431 -12.426 -0.105 1.00 0.92 C ATOM 1653 OG1 THR B 5 9.220 -13.500 -0.609 1.00 1.42 O ATOM 1654 CG2 THR B 5 7.049 -12.929 0.295 1.00 1.08 C ATOM 0 H THR B 5 10.368 -10.965 -1.014 1.00 0.70 H new ATOM 0 HA THR B 5 7.725 -11.720 -2.001 1.00 0.75 H new ATOM 0 HB THR B 5 8.919 -12.013 0.778 1.00 0.92 H new ATOM 0 HG1 THR B 5 10.150 -13.386 -0.321 1.00 1.42 H new ATOM 0 HG21 THR B 5 7.150 -13.710 1.049 1.00 1.08 H new ATOM 0 HG22 THR B 5 6.466 -12.104 0.704 1.00 1.08 H new ATOM 0 HG23 THR B 5 6.541 -13.333 -0.581 1.00 1.08 H new ATOM 1662 N LEU B 6 7.325 -10.048 0.712 1.00 0.54 N ATOM 1663 CA LEU B 6 6.606 -8.952 1.339 1.00 0.50 C ATOM 1664 C LEU B 6 7.577 -8.064 2.106 1.00 0.49 C ATOM 1665 O LEU B 6 8.147 -8.491 3.106 1.00 0.56 O ATOM 1666 CB LEU B 6 5.570 -9.511 2.326 1.00 0.60 C ATOM 1667 CG LEU B 6 4.216 -9.927 1.742 1.00 0.75 C ATOM 1668 CD1 LEU B 6 4.002 -11.425 1.900 1.00 1.15 C ATOM 1669 CD2 LEU B 6 3.087 -9.165 2.415 1.00 1.07 C ATOM 0 H LEU B 6 7.631 -10.771 1.363 1.00 0.54 H new ATOM 0 HA LEU B 6 6.108 -8.371 0.563 1.00 0.50 H new ATOM 0 HB2 LEU B 6 6.007 -10.377 2.823 1.00 0.60 H new ATOM 0 HB3 LEU B 6 5.392 -8.759 3.095 1.00 0.60 H new ATOM 0 HG LEU B 6 4.216 -9.685 0.679 1.00 0.75 H new ATOM 0 HD11 LEU B 6 3.035 -11.701 1.479 1.00 1.15 H new ATOM 0 HD12 LEU B 6 4.792 -11.963 1.376 1.00 1.15 H new ATOM 0 HD13 LEU B 6 4.025 -11.686 2.958 1.00 1.15 H new ATOM 0 HD21 LEU B 6 2.133 -9.474 1.987 1.00 1.07 H new ATOM 0 HD22 LEU B 6 3.091 -9.378 3.484 1.00 1.07 H new ATOM 0 HD23 LEU B 6 3.226 -8.095 2.258 1.00 1.07 H new ATOM 1681 N THR B 7 7.767 -6.835 1.661 1.00 0.50 N ATOM 1682 CA THR B 7 8.675 -5.941 2.362 1.00 0.53 C ATOM 1683 C THR B 7 8.094 -5.579 3.717 1.00 0.48 C ATOM 1684 O THR B 7 6.918 -5.819 3.963 1.00 0.55 O ATOM 1685 CB THR B 7 8.963 -4.657 1.557 1.00 0.60 C ATOM 1686 OG1 THR B 7 7.964 -4.473 0.548 1.00 0.83 O ATOM 1687 CG2 THR B 7 10.341 -4.707 0.907 1.00 0.80 C ATOM 0 H THR B 7 7.317 -6.438 0.836 1.00 0.50 H new ATOM 0 HA THR B 7 9.621 -6.467 2.490 1.00 0.53 H new ATOM 0 HB THR B 7 8.941 -3.817 2.252 1.00 0.60 H new ATOM 0 HG1 THR B 7 7.103 -4.274 0.972 1.00 0.83 H new ATOM 0 HG21 THR B 7 10.513 -3.788 0.347 1.00 0.80 H new ATOM 0 HG22 THR B 7 11.104 -4.810 1.679 1.00 0.80 H new ATOM 0 HG23 THR B 7 10.393 -5.559 0.229 1.00 0.80 H new ATOM 1695 N GLU B 8 8.916 -4.995 4.594 1.00 0.46 N ATOM 1696 CA GLU B 8 8.471 -4.623 5.943 1.00 0.45 C ATOM 1697 C GLU B 8 7.051 -4.061 5.929 1.00 0.41 C ATOM 1698 O GLU B 8 6.302 -4.193 6.898 1.00 0.42 O ATOM 1699 CB GLU B 8 9.419 -3.593 6.563 1.00 0.50 C ATOM 1700 CG GLU B 8 10.889 -3.955 6.441 1.00 0.52 C ATOM 1701 CD GLU B 8 11.189 -5.357 6.931 1.00 1.09 C ATOM 1702 OE1 GLU B 8 11.425 -5.525 8.146 1.00 1.94 O ATOM 1703 OE2 GLU B 8 11.189 -6.290 6.099 1.00 1.67 O ATOM 0 H GLU B 8 9.891 -4.770 4.396 1.00 0.46 H new ATOM 0 HA GLU B 8 8.480 -5.531 6.546 1.00 0.45 H new ATOM 0 HB2 GLU B 8 9.252 -2.627 6.086 1.00 0.50 H new ATOM 0 HB3 GLU B 8 9.171 -3.474 7.618 1.00 0.50 H new ATOM 0 HG2 GLU B 8 11.196 -3.865 5.399 1.00 0.52 H new ATOM 0 HG3 GLU B 8 11.483 -3.241 7.011 1.00 0.52 H new ATOM 1710 N LEU B 9 6.698 -3.437 4.816 1.00 0.41 N ATOM 1711 CA LEU B 9 5.379 -2.859 4.638 1.00 0.40 C ATOM 1712 C LEU B 9 4.280 -3.854 4.978 1.00 0.38 C ATOM 1713 O LEU B 9 3.174 -3.462 5.342 1.00 0.40 O ATOM 1714 CB LEU B 9 5.244 -2.383 3.196 1.00 0.46 C ATOM 1715 CG LEU B 9 6.455 -1.625 2.651 1.00 0.58 C ATOM 1716 CD1 LEU B 9 6.085 -0.871 1.392 1.00 0.93 C ATOM 1717 CD2 LEU B 9 7.043 -0.696 3.703 1.00 0.93 C ATOM 0 H LEU B 9 7.317 -3.318 4.014 1.00 0.41 H new ATOM 0 HA LEU B 9 5.268 -2.016 5.320 1.00 0.40 H new ATOM 0 HB2 LEU B 9 5.059 -3.248 2.559 1.00 0.46 H new ATOM 0 HB3 LEU B 9 4.368 -1.739 3.122 1.00 0.46 H new ATOM 0 HG LEU B 9 7.226 -2.352 2.395 1.00 0.58 H new ATOM 0 HD11 LEU B 9 6.958 -0.337 1.018 1.00 0.93 H new ATOM 0 HD12 LEU B 9 5.738 -1.575 0.635 1.00 0.93 H new ATOM 0 HD13 LEU B 9 5.292 -0.157 1.615 1.00 0.93 H new ATOM 0 HD21 LEU B 9 7.902 -0.171 3.286 1.00 0.93 H new ATOM 0 HD22 LEU B 9 6.289 0.029 4.010 1.00 0.93 H new ATOM 0 HD23 LEU B 9 7.359 -1.279 4.568 1.00 0.93 H new ATOM 1729 N GLU B 10 4.581 -5.146 4.856 1.00 0.38 N ATOM 1730 CA GLU B 10 3.597 -6.184 5.178 1.00 0.39 C ATOM 1731 C GLU B 10 2.986 -5.901 6.541 1.00 0.38 C ATOM 1732 O GLU B 10 1.777 -6.004 6.725 1.00 0.40 O ATOM 1733 CB GLU B 10 4.231 -7.579 5.190 1.00 0.45 C ATOM 1734 CG GLU B 10 5.709 -7.584 5.529 1.00 0.45 C ATOM 1735 CD GLU B 10 6.064 -8.619 6.580 1.00 0.55 C ATOM 1736 OE1 GLU B 10 5.891 -9.825 6.308 1.00 1.16 O ATOM 1737 OE2 GLU B 10 6.508 -8.222 7.678 1.00 1.26 O ATOM 0 H GLU B 10 5.485 -5.498 4.541 1.00 0.38 H new ATOM 0 HA GLU B 10 2.827 -6.166 4.406 1.00 0.39 H new ATOM 0 HB2 GLU B 10 3.701 -8.201 5.912 1.00 0.45 H new ATOM 0 HB3 GLU B 10 4.092 -8.038 4.211 1.00 0.45 H new ATOM 0 HG2 GLU B 10 6.285 -7.779 4.624 1.00 0.45 H new ATOM 0 HG3 GLU B 10 5.999 -6.596 5.885 1.00 0.45 H new ATOM 1744 N ALA B 11 3.838 -5.534 7.494 1.00 0.39 N ATOM 1745 CA ALA B 11 3.377 -5.205 8.835 1.00 0.39 C ATOM 1746 C ALA B 11 2.321 -4.122 8.747 1.00 0.36 C ATOM 1747 O ALA B 11 1.380 -4.080 9.539 1.00 0.39 O ATOM 1748 CB ALA B 11 4.538 -4.752 9.706 1.00 0.42 C ATOM 0 H ALA B 11 4.846 -5.458 7.362 1.00 0.39 H new ATOM 0 HA ALA B 11 2.944 -6.094 9.294 1.00 0.39 H new ATOM 0 HB1 ALA B 11 4.172 -4.511 10.704 1.00 0.42 H new ATOM 0 HB2 ALA B 11 5.276 -5.552 9.774 1.00 0.42 H new ATOM 0 HB3 ALA B 11 5.000 -3.868 9.266 1.00 0.42 H new ATOM 1754 N ALA B 12 2.493 -3.246 7.766 1.00 0.33 N ATOM 1755 CA ALA B 12 1.548 -2.172 7.535 1.00 0.32 C ATOM 1756 C ALA B 12 0.253 -2.745 6.985 1.00 0.33 C ATOM 1757 O ALA B 12 -0.824 -2.190 7.195 1.00 0.34 O ATOM 1758 CB ALA B 12 2.127 -1.141 6.581 1.00 0.34 C ATOM 0 H ALA B 12 3.281 -3.262 7.119 1.00 0.33 H new ATOM 0 HA ALA B 12 1.342 -1.671 8.481 1.00 0.32 H new ATOM 0 HB1 ALA B 12 1.401 -0.344 6.422 1.00 0.34 H new ATOM 0 HB2 ALA B 12 3.038 -0.722 7.008 1.00 0.34 H new ATOM 0 HB3 ALA B 12 2.358 -1.617 5.628 1.00 0.34 H new ATOM 1764 N ILE B 13 0.371 -3.869 6.278 1.00 0.36 N ATOM 1765 CA ILE B 13 -0.793 -4.532 5.716 1.00 0.40 C ATOM 1766 C ILE B 13 -1.827 -4.788 6.819 1.00 0.39 C ATOM 1767 O ILE B 13 -3.020 -4.920 6.552 1.00 0.42 O ATOM 1768 CB ILE B 13 -0.406 -5.853 4.979 1.00 0.47 C ATOM 1769 CG1 ILE B 13 -1.280 -6.035 3.734 1.00 0.90 C ATOM 1770 CG2 ILE B 13 -0.506 -7.086 5.881 1.00 0.99 C ATOM 1771 CD1 ILE B 13 -2.736 -6.301 4.048 1.00 2.05 C ATOM 0 H ILE B 13 1.258 -4.333 6.085 1.00 0.36 H new ATOM 0 HA ILE B 13 -1.235 -3.875 4.967 1.00 0.40 H new ATOM 0 HB ILE B 13 0.640 -5.761 4.685 1.00 0.47 H new ATOM 0 HG12 ILE B 13 -1.208 -5.140 3.116 1.00 0.90 H new ATOM 0 HG13 ILE B 13 -0.888 -6.863 3.143 1.00 0.90 H new ATOM 0 HG21 ILE B 13 -0.225 -7.974 5.315 1.00 0.99 H new ATOM 0 HG22 ILE B 13 0.166 -6.970 6.731 1.00 0.99 H new ATOM 0 HG23 ILE B 13 -1.530 -7.193 6.239 1.00 0.99 H new ATOM 0 HD11 ILE B 13 -3.293 -6.419 3.119 1.00 2.05 H new ATOM 0 HD12 ILE B 13 -2.820 -7.213 4.640 1.00 2.05 H new ATOM 0 HD13 ILE B 13 -3.145 -5.463 4.612 1.00 2.05 H new ATOM 1783 N GLU B 14 -1.341 -4.853 8.064 1.00 0.39 N ATOM 1784 CA GLU B 14 -2.192 -5.092 9.222 1.00 0.42 C ATOM 1785 C GLU B 14 -3.084 -3.890 9.528 1.00 0.38 C ATOM 1786 O GLU B 14 -4.236 -4.058 9.928 1.00 0.46 O ATOM 1787 CB GLU B 14 -1.336 -5.429 10.444 1.00 0.46 C ATOM 1788 CG GLU B 14 -0.500 -6.687 10.272 1.00 0.79 C ATOM 1789 CD GLU B 14 0.350 -6.994 11.489 1.00 1.46 C ATOM 1790 OE1 GLU B 14 1.465 -6.440 11.590 1.00 2.25 O ATOM 1791 OE2 GLU B 14 -0.100 -7.788 12.342 1.00 2.02 O ATOM 0 H GLU B 14 -0.353 -4.741 8.290 1.00 0.39 H new ATOM 0 HA GLU B 14 -2.839 -5.937 8.986 1.00 0.42 H new ATOM 0 HB2 GLU B 14 -0.674 -4.589 10.657 1.00 0.46 H new ATOM 0 HB3 GLU B 14 -1.986 -5.550 11.311 1.00 0.46 H new ATOM 0 HG2 GLU B 14 -1.159 -7.532 10.071 1.00 0.79 H new ATOM 0 HG3 GLU B 14 0.146 -6.573 9.402 1.00 0.79 H new ATOM 1798 N THR B 15 -2.559 -2.679 9.351 1.00 0.30 N ATOM 1799 CA THR B 15 -3.338 -1.491 9.610 1.00 0.28 C ATOM 1800 C THR B 15 -4.408 -1.329 8.540 1.00 0.28 C ATOM 1801 O THR B 15 -5.606 -1.324 8.821 1.00 0.34 O ATOM 1802 CB THR B 15 -2.453 -0.233 9.637 1.00 0.28 C ATOM 1803 OG1 THR B 15 -1.434 -0.368 10.636 1.00 0.29 O ATOM 1804 CG2 THR B 15 -3.283 1.010 9.917 1.00 0.32 C ATOM 0 H THR B 15 -1.606 -2.505 9.032 1.00 0.30 H new ATOM 0 HA THR B 15 -3.804 -1.606 10.589 1.00 0.28 H new ATOM 0 HB THR B 15 -1.988 -0.126 8.657 1.00 0.28 H new ATOM 0 HG1 THR B 15 -0.885 0.444 10.655 1.00 0.29 H new ATOM 0 HG21 THR B 15 -2.634 1.885 9.931 1.00 0.32 H new ATOM 0 HG22 THR B 15 -4.035 1.128 9.137 1.00 0.32 H new ATOM 0 HG23 THR B 15 -3.776 0.908 10.884 1.00 0.32 H new ATOM 1812 N VAL B 16 -3.942 -1.211 7.310 1.00 0.27 N ATOM 1813 CA VAL B 16 -4.802 -1.060 6.143 1.00 0.28 C ATOM 1814 C VAL B 16 -5.865 -2.148 6.091 1.00 0.30 C ATOM 1815 O VAL B 16 -7.008 -1.887 5.716 1.00 0.36 O ATOM 1816 CB VAL B 16 -3.936 -1.122 4.865 1.00 0.30 C ATOM 1817 CG1 VAL B 16 -3.087 -2.380 4.872 1.00 0.33 C ATOM 1818 CG2 VAL B 16 -4.773 -1.076 3.599 1.00 0.33 C ATOM 0 H VAL B 16 -2.947 -1.217 7.087 1.00 0.27 H new ATOM 0 HA VAL B 16 -5.309 -0.097 6.211 1.00 0.28 H new ATOM 0 HB VAL B 16 -3.294 -0.241 4.867 1.00 0.30 H new ATOM 0 HG11 VAL B 16 -2.480 -2.415 3.967 1.00 0.33 H new ATOM 0 HG12 VAL B 16 -2.435 -2.374 5.746 1.00 0.33 H new ATOM 0 HG13 VAL B 16 -3.735 -3.256 4.908 1.00 0.33 H new ATOM 0 HG21 VAL B 16 -4.119 -1.122 2.728 1.00 0.33 H new ATOM 0 HG22 VAL B 16 -5.457 -1.924 3.584 1.00 0.33 H new ATOM 0 HG23 VAL B 16 -5.345 -0.148 3.574 1.00 0.33 H new ATOM 1828 N VAL B 17 -5.493 -3.362 6.466 1.00 0.31 N ATOM 1829 CA VAL B 17 -6.435 -4.467 6.444 1.00 0.33 C ATOM 1830 C VAL B 17 -7.410 -4.377 7.620 1.00 0.30 C ATOM 1831 O VAL B 17 -8.574 -4.765 7.514 1.00 0.33 O ATOM 1832 CB VAL B 17 -5.722 -5.835 6.474 1.00 0.43 C ATOM 1833 CG1 VAL B 17 -5.083 -6.094 7.830 1.00 0.45 C ATOM 1834 CG2 VAL B 17 -6.697 -6.947 6.116 1.00 0.50 C ATOM 0 H VAL B 17 -4.555 -3.605 6.786 1.00 0.31 H new ATOM 0 HA VAL B 17 -6.987 -4.389 5.508 1.00 0.33 H new ATOM 0 HB VAL B 17 -4.925 -5.818 5.731 1.00 0.43 H new ATOM 0 HG11 VAL B 17 -4.589 -7.065 7.820 1.00 0.45 H new ATOM 0 HG12 VAL B 17 -4.350 -5.316 8.041 1.00 0.45 H new ATOM 0 HG13 VAL B 17 -5.852 -6.087 8.602 1.00 0.45 H new ATOM 0 HG21 VAL B 17 -6.180 -7.906 6.141 1.00 0.50 H new ATOM 0 HG22 VAL B 17 -7.517 -6.958 6.834 1.00 0.50 H new ATOM 0 HG23 VAL B 17 -7.094 -6.775 5.115 1.00 0.50 H new ATOM 1844 N SER B 18 -6.914 -3.872 8.747 1.00 0.33 N ATOM 1845 CA SER B 18 -7.722 -3.734 9.955 1.00 0.40 C ATOM 1846 C SER B 18 -8.586 -2.468 9.939 1.00 0.44 C ATOM 1847 O SER B 18 -9.545 -2.355 10.699 1.00 0.59 O ATOM 1848 CB SER B 18 -6.821 -3.726 11.192 1.00 0.51 C ATOM 1849 OG SER B 18 -5.927 -2.626 11.164 1.00 1.32 O ATOM 0 H SER B 18 -5.951 -3.550 8.848 1.00 0.33 H new ATOM 0 HA SER B 18 -8.395 -4.591 9.989 1.00 0.40 H new ATOM 0 HB2 SER B 18 -7.434 -3.678 12.092 1.00 0.51 H new ATOM 0 HB3 SER B 18 -6.256 -4.657 11.240 1.00 0.51 H new ATOM 0 HG SER B 18 -5.998 -2.169 10.300 1.00 1.32 H new ATOM 1855 N THR B 19 -8.233 -1.503 9.105 1.00 0.37 N ATOM 1856 CA THR B 19 -8.994 -0.257 9.039 1.00 0.45 C ATOM 1857 C THR B 19 -10.220 -0.325 8.129 1.00 0.46 C ATOM 1858 O THR B 19 -11.314 -0.681 8.569 1.00 0.53 O ATOM 1859 CB THR B 19 -8.112 0.941 8.622 1.00 0.45 C ATOM 1860 OG1 THR B 19 -7.512 0.706 7.338 1.00 0.42 O ATOM 1861 CG2 THR B 19 -7.031 1.205 9.659 1.00 0.49 C ATOM 0 H THR B 19 -7.436 -1.552 8.470 1.00 0.37 H new ATOM 0 HA THR B 19 -9.353 -0.106 10.057 1.00 0.45 H new ATOM 0 HB THR B 19 -8.753 1.820 8.555 1.00 0.45 H new ATOM 0 HG1 THR B 19 -6.958 1.476 7.090 1.00 0.42 H new ATOM 0 HG21 THR B 19 -6.423 2.053 9.343 1.00 0.49 H new ATOM 0 HG22 THR B 19 -7.495 1.429 10.619 1.00 0.49 H new ATOM 0 HG23 THR B 19 -6.399 0.323 9.759 1.00 0.49 H new ATOM 1869 N PHE B 20 -10.026 0.019 6.861 1.00 0.45 N ATOM 1870 CA PHE B 20 -11.113 0.064 5.890 1.00 0.53 C ATOM 1871 C PHE B 20 -11.441 -1.308 5.352 1.00 0.53 C ATOM 1872 O PHE B 20 -12.545 -1.564 4.886 1.00 0.68 O ATOM 1873 CB PHE B 20 -10.690 1.019 4.772 1.00 0.60 C ATOM 1874 CG PHE B 20 -11.270 0.745 3.414 1.00 0.72 C ATOM 1875 CD1 PHE B 20 -12.619 0.900 3.176 1.00 1.59 C ATOM 1876 CD2 PHE B 20 -10.448 0.334 2.383 1.00 1.26 C ATOM 1877 CE1 PHE B 20 -13.144 0.650 1.925 1.00 1.77 C ATOM 1878 CE2 PHE B 20 -10.963 0.080 1.129 1.00 1.37 C ATOM 1879 CZ PHE B 20 -12.313 0.240 0.898 1.00 1.18 C ATOM 0 H PHE B 20 -9.115 0.273 6.478 1.00 0.45 H new ATOM 0 HA PHE B 20 -12.025 0.422 6.368 1.00 0.53 H new ATOM 0 HB2 PHE B 20 -10.965 2.032 5.064 1.00 0.60 H new ATOM 0 HB3 PHE B 20 -9.603 0.994 4.692 1.00 0.60 H new ATOM 0 HD1 PHE B 20 -13.270 1.220 3.976 1.00 1.59 H new ATOM 0 HD2 PHE B 20 -9.390 0.210 2.561 1.00 1.26 H new ATOM 0 HE1 PHE B 20 -14.202 0.774 1.748 1.00 1.77 H new ATOM 0 HE2 PHE B 20 -10.311 -0.243 0.331 1.00 1.37 H new ATOM 0 HZ PHE B 20 -12.721 0.046 -0.083 1.00 1.18 H new ATOM 1889 N PHE B 21 -10.473 -2.172 5.396 1.00 0.44 N ATOM 1890 CA PHE B 21 -10.641 -3.501 4.909 1.00 0.47 C ATOM 1891 C PHE B 21 -11.468 -4.347 5.853 1.00 0.49 C ATOM 1892 O PHE B 21 -11.967 -5.403 5.473 1.00 0.63 O ATOM 1893 CB PHE B 21 -9.260 -4.088 4.670 1.00 0.47 C ATOM 1894 CG PHE B 21 -8.522 -3.481 3.510 1.00 0.45 C ATOM 1895 CD1 PHE B 21 -9.044 -2.400 2.814 1.00 1.39 C ATOM 1896 CD2 PHE B 21 -7.292 -3.981 3.128 1.00 1.15 C ATOM 1897 CE1 PHE B 21 -8.349 -1.837 1.766 1.00 1.44 C ATOM 1898 CE2 PHE B 21 -6.599 -3.420 2.083 1.00 1.13 C ATOM 1899 CZ PHE B 21 -7.124 -2.347 1.400 1.00 0.53 C ATOM 0 H PHE B 21 -9.546 -1.973 5.771 1.00 0.44 H new ATOM 0 HA PHE B 21 -11.198 -3.486 3.972 1.00 0.47 H new ATOM 0 HB2 PHE B 21 -8.663 -3.960 5.573 1.00 0.47 H new ATOM 0 HB3 PHE B 21 -9.358 -5.161 4.502 1.00 0.47 H new ATOM 0 HD1 PHE B 21 -10.005 -1.996 3.097 1.00 1.39 H new ATOM 0 HD2 PHE B 21 -6.870 -4.823 3.657 1.00 1.15 H new ATOM 0 HE1 PHE B 21 -8.765 -0.996 1.232 1.00 1.44 H new ATOM 0 HE2 PHE B 21 -5.639 -3.823 1.796 1.00 1.13 H new ATOM 0 HZ PHE B 21 -6.577 -1.907 0.580 1.00 0.53 H new ATOM 1909 N THR B 22 -11.610 -3.892 7.083 1.00 0.48 N ATOM 1910 CA THR B 22 -12.432 -4.606 8.034 1.00 0.54 C ATOM 1911 C THR B 22 -13.896 -4.437 7.669 1.00 0.48 C ATOM 1912 O THR B 22 -14.754 -5.193 8.124 1.00 0.53 O ATOM 1913 CB THR B 22 -12.183 -4.132 9.461 1.00 0.65 C ATOM 1914 OG1 THR B 22 -12.304 -2.707 9.533 1.00 0.66 O ATOM 1915 CG2 THR B 22 -10.800 -4.568 9.892 1.00 0.81 C ATOM 0 H THR B 22 -11.173 -3.043 7.441 1.00 0.48 H new ATOM 0 HA THR B 22 -12.164 -5.662 7.990 1.00 0.54 H new ATOM 0 HB THR B 22 -12.923 -4.572 10.129 1.00 0.65 H new ATOM 0 HG1 THR B 22 -11.460 -2.293 9.258 1.00 0.66 H new ATOM 0 HG21 THR B 22 -10.614 -4.232 10.912 1.00 0.81 H new ATOM 0 HG22 THR B 22 -10.731 -5.655 9.849 1.00 0.81 H new ATOM 0 HG23 THR B 22 -10.057 -4.131 9.225 1.00 0.81 H new ATOM 1923 N PHE B 23 -14.176 -3.431 6.841 1.00 0.49 N ATOM 1924 CA PHE B 23 -15.525 -3.197 6.370 1.00 0.51 C ATOM 1925 C PHE B 23 -15.977 -4.427 5.576 1.00 0.44 C ATOM 1926 O PHE B 23 -17.168 -4.704 5.453 1.00 0.46 O ATOM 1927 CB PHE B 23 -15.559 -1.865 5.587 1.00 0.68 C ATOM 1928 CG PHE B 23 -16.091 -1.870 4.178 1.00 0.61 C ATOM 1929 CD1 PHE B 23 -17.294 -2.470 3.841 1.00 1.46 C ATOM 1930 CD2 PHE B 23 -15.382 -1.210 3.188 1.00 1.48 C ATOM 1931 CE1 PHE B 23 -17.772 -2.412 2.550 1.00 1.93 C ATOM 1932 CE2 PHE B 23 -15.853 -1.158 1.897 1.00 1.88 C ATOM 1933 CZ PHE B 23 -17.050 -1.756 1.580 1.00 1.83 C ATOM 0 H PHE B 23 -13.483 -2.771 6.488 1.00 0.49 H new ATOM 0 HA PHE B 23 -16.240 -3.078 7.184 1.00 0.51 H new ATOM 0 HB2 PHE B 23 -16.155 -1.157 6.163 1.00 0.68 H new ATOM 0 HB3 PHE B 23 -14.542 -1.474 5.555 1.00 0.68 H new ATOM 0 HD1 PHE B 23 -17.863 -2.989 4.598 1.00 1.46 H new ATOM 0 HD2 PHE B 23 -14.446 -0.730 3.433 1.00 1.48 H new ATOM 0 HE1 PHE B 23 -18.712 -2.881 2.300 1.00 1.93 H new ATOM 0 HE2 PHE B 23 -15.284 -0.648 1.134 1.00 1.88 H new ATOM 0 HZ PHE B 23 -17.424 -1.711 0.568 1.00 1.83 H new ATOM 1943 N ALA B 24 -15.002 -5.215 5.103 1.00 0.51 N ATOM 1944 CA ALA B 24 -15.298 -6.462 4.391 1.00 0.59 C ATOM 1945 C ALA B 24 -16.337 -7.249 5.158 1.00 0.61 C ATOM 1946 O ALA B 24 -17.278 -7.807 4.594 1.00 0.67 O ATOM 1947 CB ALA B 24 -14.045 -7.318 4.276 1.00 0.71 C ATOM 0 H ALA B 24 -14.007 -5.011 5.201 1.00 0.51 H new ATOM 0 HA ALA B 24 -15.665 -6.210 3.396 1.00 0.59 H new ATOM 0 HB1 ALA B 24 -14.282 -8.240 3.745 1.00 0.71 H new ATOM 0 HB2 ALA B 24 -13.279 -6.770 3.728 1.00 0.71 H new ATOM 0 HB3 ALA B 24 -13.676 -7.558 5.273 1.00 0.71 H new ATOM 1953 N GLY B 25 -16.136 -7.270 6.467 1.00 0.71 N ATOM 1954 CA GLY B 25 -17.030 -7.979 7.353 1.00 0.85 C ATOM 1955 C GLY B 25 -18.487 -7.683 7.068 1.00 0.74 C ATOM 1956 O GLY B 25 -19.357 -8.483 7.412 1.00 0.82 O ATOM 0 H GLY B 25 -15.359 -6.802 6.934 1.00 0.71 H new ATOM 0 HA2 GLY B 25 -16.855 -9.051 7.258 1.00 0.85 H new ATOM 0 HA3 GLY B 25 -16.803 -7.709 8.384 1.00 0.85 H new ATOM 1960 N ARG B 26 -18.768 -6.524 6.446 1.00 0.61 N ATOM 1961 CA ARG B 26 -20.145 -6.165 6.083 1.00 0.59 C ATOM 1962 C ARG B 26 -20.816 -7.389 5.480 1.00 0.58 C ATOM 1963 O ARG B 26 -21.845 -7.865 5.958 1.00 0.72 O ATOM 1964 CB ARG B 26 -20.151 -5.012 5.074 1.00 0.61 C ATOM 1965 CG ARG B 26 -21.517 -4.761 4.451 1.00 1.18 C ATOM 1966 CD ARG B 26 -21.975 -3.329 4.662 1.00 0.96 C ATOM 1967 NE ARG B 26 -22.097 -3.000 6.080 1.00 1.55 N ATOM 1968 CZ ARG B 26 -22.845 -2.004 6.544 1.00 1.95 C ATOM 1969 NH1 ARG B 26 -23.529 -1.238 5.706 1.00 2.01 N ATOM 1970 NH2 ARG B 26 -22.910 -1.773 7.848 1.00 2.82 N ATOM 0 H ARG B 26 -18.067 -5.829 6.188 1.00 0.61 H new ATOM 0 HA ARG B 26 -20.686 -5.839 6.971 1.00 0.59 H new ATOM 0 HB2 ARG B 26 -19.814 -4.102 5.571 1.00 0.61 H new ATOM 0 HB3 ARG B 26 -19.433 -5.228 4.283 1.00 0.61 H new ATOM 0 HG2 ARG B 26 -21.475 -4.976 3.383 1.00 1.18 H new ATOM 0 HG3 ARG B 26 -22.247 -5.444 4.886 1.00 1.18 H new ATOM 0 HD2 ARG B 26 -21.266 -2.648 4.191 1.00 0.96 H new ATOM 0 HD3 ARG B 26 -22.936 -3.179 4.170 1.00 0.96 H new ATOM 0 HE ARG B 26 -21.579 -3.566 6.752 1.00 1.55 H new ATOM 0 HH11 ARG B 26 -23.482 -1.412 4.702 1.00 2.01 H new ATOM 0 HH12 ARG B 26 -24.102 -0.474 6.065 1.00 2.01 H new ATOM 0 HH21 ARG B 26 -22.386 -2.360 8.497 1.00 2.82 H new ATOM 0 HH22 ARG B 26 -23.484 -1.008 8.202 1.00 2.82 H new ATOM 1984 N GLU B 27 -20.201 -7.877 4.418 1.00 0.50 N ATOM 1985 CA GLU B 27 -20.647 -9.099 3.769 1.00 0.57 C ATOM 1986 C GLU B 27 -19.435 -9.814 3.196 1.00 0.80 C ATOM 1987 O GLU B 27 -19.089 -9.644 2.027 1.00 1.26 O ATOM 1988 CB GLU B 27 -21.656 -8.790 2.664 1.00 0.97 C ATOM 1989 CG GLU B 27 -21.200 -7.692 1.722 1.00 0.85 C ATOM 1990 CD GLU B 27 -22.234 -7.362 0.665 1.00 1.10 C ATOM 1991 OE1 GLU B 27 -23.096 -6.497 0.926 1.00 1.63 O ATOM 1992 OE2 GLU B 27 -22.183 -7.971 -0.425 1.00 1.79 O ATOM 0 H GLU B 27 -19.386 -7.444 3.984 1.00 0.50 H new ATOM 0 HA GLU B 27 -21.143 -9.738 4.499 1.00 0.57 H new ATOM 0 HB2 GLU B 27 -21.843 -9.697 2.089 1.00 0.97 H new ATOM 0 HB3 GLU B 27 -22.603 -8.499 3.118 1.00 0.97 H new ATOM 0 HG2 GLU B 27 -20.976 -6.794 2.298 1.00 0.85 H new ATOM 0 HG3 GLU B 27 -20.274 -7.998 1.235 1.00 0.85 H new ATOM 1999 N GLY B 28 -18.788 -10.613 4.037 1.00 1.32 N ATOM 2000 CA GLY B 28 -17.612 -11.336 3.608 1.00 1.87 C ATOM 2001 C GLY B 28 -17.347 -12.579 4.419 1.00 1.35 C ATOM 2002 O GLY B 28 -16.297 -12.684 5.054 1.00 1.58 O ATOM 0 H GLY B 28 -19.059 -10.771 5.008 1.00 1.32 H new ATOM 0 HA2 GLY B 28 -17.726 -11.612 2.560 1.00 1.87 H new ATOM 0 HA3 GLY B 28 -16.746 -10.677 3.672 1.00 1.87 H new ATOM 2006 N ARG B 29 -18.274 -13.532 4.417 1.00 1.15 N ATOM 2007 CA ARG B 29 -18.069 -14.766 5.169 1.00 1.06 C ATOM 2008 C ARG B 29 -16.681 -15.323 4.869 1.00 1.14 C ATOM 2009 O ARG B 29 -15.817 -15.397 5.742 1.00 1.74 O ATOM 2010 CB ARG B 29 -19.137 -15.803 4.813 1.00 1.38 C ATOM 2011 CG ARG B 29 -18.865 -17.181 5.398 1.00 1.76 C ATOM 2012 CD ARG B 29 -19.724 -18.247 4.740 1.00 2.36 C ATOM 2013 NE ARG B 29 -21.151 -17.964 4.866 1.00 2.88 N ATOM 2014 CZ ARG B 29 -22.101 -18.723 4.329 1.00 3.58 C ATOM 2015 NH1 ARG B 29 -21.775 -19.802 3.630 1.00 3.91 N ATOM 2016 NH2 ARG B 29 -23.379 -18.405 4.490 1.00 4.30 N ATOM 0 H ARG B 29 -19.159 -13.477 3.913 1.00 1.15 H new ATOM 0 HA ARG B 29 -18.150 -14.544 6.233 1.00 1.06 H new ATOM 0 HB2 ARG B 29 -20.106 -15.451 5.168 1.00 1.38 H new ATOM 0 HB3 ARG B 29 -19.205 -15.885 3.728 1.00 1.38 H new ATOM 0 HG2 ARG B 29 -17.812 -17.430 5.269 1.00 1.76 H new ATOM 0 HG3 ARG B 29 -19.060 -17.167 6.470 1.00 1.76 H new ATOM 0 HD2 ARG B 29 -19.462 -18.321 3.684 1.00 2.36 H new ATOM 0 HD3 ARG B 29 -19.507 -19.215 5.191 1.00 2.36 H new ATOM 0 HE ARG B 29 -21.434 -17.139 5.395 1.00 2.88 H new ATOM 0 HH11 ARG B 29 -20.794 -20.051 3.504 1.00 3.91 H new ATOM 0 HH12 ARG B 29 -22.505 -20.383 3.219 1.00 3.91 H new ATOM 0 HH21 ARG B 29 -23.635 -17.576 5.027 1.00 4.30 H new ATOM 0 HH22 ARG B 29 -24.106 -18.989 4.077 1.00 4.30 H new ATOM 2030 N LYS B 30 -16.494 -15.711 3.620 1.00 1.05 N ATOM 2031 CA LYS B 30 -15.222 -16.228 3.149 1.00 1.49 C ATOM 2032 C LYS B 30 -14.964 -15.718 1.740 1.00 1.34 C ATOM 2033 O LYS B 30 -14.376 -16.416 0.914 1.00 1.66 O ATOM 2034 CB LYS B 30 -15.218 -17.758 3.161 1.00 2.04 C ATOM 2035 CG LYS B 30 -15.141 -18.363 4.553 1.00 2.66 C ATOM 2036 CD LYS B 30 -15.066 -19.881 4.495 1.00 3.51 C ATOM 2037 CE LYS B 30 -14.928 -20.487 5.882 1.00 4.01 C ATOM 2038 NZ LYS B 30 -14.807 -21.970 5.829 1.00 4.78 N ATOM 0 H LYS B 30 -17.220 -15.676 2.904 1.00 1.05 H new ATOM 0 HA LYS B 30 -14.432 -15.882 3.816 1.00 1.49 H new ATOM 0 HB2 LYS B 30 -16.122 -18.118 2.669 1.00 2.04 H new ATOM 0 HB3 LYS B 30 -14.372 -18.114 2.574 1.00 2.04 H new ATOM 0 HG2 LYS B 30 -14.266 -17.974 5.073 1.00 2.66 H new ATOM 0 HG3 LYS B 30 -16.015 -18.062 5.131 1.00 2.66 H new ATOM 0 HD2 LYS B 30 -15.962 -20.272 4.014 1.00 3.51 H new ATOM 0 HD3 LYS B 30 -14.217 -20.181 3.880 1.00 3.51 H new ATOM 0 HE2 LYS B 30 -14.051 -20.068 6.376 1.00 4.01 H new ATOM 0 HE3 LYS B 30 -15.794 -20.214 6.485 1.00 4.01 H new ATOM 0 HZ1 LYS B 30 -14.715 -22.346 6.794 1.00 4.78 H new ATOM 0 HZ2 LYS B 30 -15.655 -22.372 5.381 1.00 4.78 H new ATOM 0 HZ3 LYS B 30 -13.966 -22.230 5.275 1.00 4.78 H new ATOM 2052 N GLY B 31 -15.398 -14.488 1.472 1.00 0.96 N ATOM 2053 CA GLY B 31 -15.227 -13.929 0.144 1.00 0.88 C ATOM 2054 C GLY B 31 -14.522 -12.608 0.143 1.00 0.81 C ATOM 2055 O GLY B 31 -13.307 -12.567 0.269 1.00 0.85 O ATOM 0 H GLY B 31 -15.860 -13.875 2.144 1.00 0.96 H new ATOM 0 HA2 GLY B 31 -14.665 -14.633 -0.469 1.00 0.88 H new ATOM 0 HA3 GLY B 31 -16.205 -13.811 -0.322 1.00 0.88 H new ATOM 2059 N SER B 32 -15.270 -11.527 -0.040 1.00 0.74 N ATOM 2060 CA SER B 32 -14.661 -10.208 -0.083 1.00 0.71 C ATOM 2061 C SER B 32 -15.487 -9.095 0.531 1.00 0.70 C ATOM 2062 O SER B 32 -16.589 -9.286 1.043 1.00 0.75 O ATOM 2063 CB SER B 32 -14.316 -9.820 -1.515 1.00 0.69 C ATOM 2064 OG SER B 32 -15.184 -10.445 -2.443 1.00 1.09 O ATOM 0 H SER B 32 -16.283 -11.538 -0.159 1.00 0.74 H new ATOM 0 HA SER B 32 -13.766 -10.307 0.531 1.00 0.71 H new ATOM 0 HB2 SER B 32 -14.381 -8.738 -1.626 1.00 0.69 H new ATOM 0 HB3 SER B 32 -13.286 -10.102 -1.732 1.00 0.69 H new ATOM 0 HG SER B 32 -15.003 -11.408 -2.463 1.00 1.09 H new ATOM 2070 N LEU B 33 -14.882 -7.918 0.444 1.00 0.72 N ATOM 2071 CA LEU B 33 -15.452 -6.669 0.889 1.00 0.74 C ATOM 2072 C LEU B 33 -16.092 -6.036 -0.316 1.00 0.57 C ATOM 2073 O LEU B 33 -15.658 -6.297 -1.439 1.00 0.53 O ATOM 2074 CB LEU B 33 -14.351 -5.751 1.401 1.00 1.00 C ATOM 2075 CG LEU B 33 -14.702 -4.273 1.530 1.00 1.19 C ATOM 2076 CD1 LEU B 33 -13.958 -3.671 2.708 1.00 1.93 C ATOM 2077 CD2 LEU B 33 -14.357 -3.531 0.241 1.00 1.69 C ATOM 0 H LEU B 33 -13.949 -7.811 0.047 1.00 0.72 H new ATOM 0 HA LEU B 33 -16.171 -6.834 1.691 1.00 0.74 H new ATOM 0 HB2 LEU B 33 -14.033 -6.113 2.379 1.00 1.00 H new ATOM 0 HB3 LEU B 33 -13.494 -5.841 0.733 1.00 1.00 H new ATOM 0 HG LEU B 33 -15.774 -4.175 1.703 1.00 1.19 H new ATOM 0 HD11 LEU B 33 -14.211 -2.615 2.797 1.00 1.93 H new ATOM 0 HD12 LEU B 33 -14.243 -4.191 3.623 1.00 1.93 H new ATOM 0 HD13 LEU B 33 -12.884 -3.775 2.552 1.00 1.93 H new ATOM 0 HD21 LEU B 33 -14.613 -2.477 0.348 1.00 1.69 H new ATOM 0 HD22 LEU B 33 -13.290 -3.627 0.041 1.00 1.69 H new ATOM 0 HD23 LEU B 33 -14.921 -3.959 -0.587 1.00 1.69 H new ATOM 2089 N ASN B 34 -17.108 -5.214 -0.134 1.00 0.57 N ATOM 2090 CA ASN B 34 -17.754 -4.649 -1.280 1.00 0.47 C ATOM 2091 C ASN B 34 -17.623 -3.141 -1.290 1.00 0.41 C ATOM 2092 O ASN B 34 -16.527 -2.609 -1.132 1.00 0.56 O ATOM 2093 CB ASN B 34 -19.202 -5.141 -1.289 1.00 0.56 C ATOM 2094 CG ASN B 34 -19.987 -4.620 -0.107 1.00 1.38 C ATOM 2095 OD1 ASN B 34 -20.669 -3.603 -0.203 1.00 2.13 O ATOM 2096 ND2 ASN B 34 -19.881 -5.310 1.019 1.00 2.12 N ATOM 0 H ASN B 34 -17.487 -4.935 0.771 1.00 0.57 H new ATOM 0 HA ASN B 34 -17.275 -4.977 -2.203 1.00 0.47 H new ATOM 0 HB2 ASN B 34 -19.686 -4.825 -2.213 1.00 0.56 H new ATOM 0 HB3 ASN B 34 -19.214 -6.231 -1.280 1.00 0.56 H new ATOM 0 HD21 ASN B 34 -20.378 -5.002 1.855 1.00 2.12 H new ATOM 0 HD22 ASN B 34 -19.302 -6.149 1.050 1.00 2.12 H new ATOM 2103 N ILE B 35 -18.709 -2.460 -1.534 1.00 0.53 N ATOM 2104 CA ILE B 35 -18.698 -1.011 -1.555 1.00 0.54 C ATOM 2105 C ILE B 35 -19.847 -0.414 -0.755 1.00 0.56 C ATOM 2106 O ILE B 35 -20.308 0.691 -1.040 1.00 0.63 O ATOM 2107 CB ILE B 35 -18.713 -0.447 -2.985 1.00 0.60 C ATOM 2108 CG1 ILE B 35 -19.514 -1.351 -3.929 1.00 0.70 C ATOM 2109 CG2 ILE B 35 -17.285 -0.283 -3.477 1.00 0.66 C ATOM 2110 CD1 ILE B 35 -18.820 -2.657 -4.248 1.00 1.04 C ATOM 0 H ILE B 35 -19.619 -2.881 -1.722 1.00 0.53 H new ATOM 0 HA ILE B 35 -17.761 -0.719 -1.082 1.00 0.54 H new ATOM 0 HB ILE B 35 -19.203 0.527 -2.974 1.00 0.60 H new ATOM 0 HG12 ILE B 35 -20.484 -1.564 -3.479 1.00 0.70 H new ATOM 0 HG13 ILE B 35 -19.705 -0.814 -4.858 1.00 0.70 H new ATOM 0 HG21 ILE B 35 -17.293 0.117 -4.491 1.00 0.66 H new ATOM 0 HG22 ILE B 35 -16.751 0.404 -2.820 1.00 0.66 H new ATOM 0 HG23 ILE B 35 -16.785 -1.252 -3.473 1.00 0.66 H new ATOM 0 HD11 ILE B 35 -19.444 -3.246 -4.920 1.00 1.04 H new ATOM 0 HD12 ILE B 35 -17.862 -2.453 -4.727 1.00 1.04 H new ATOM 0 HD13 ILE B 35 -18.653 -3.215 -3.327 1.00 1.04 H new ATOM 2122 N ASN B 36 -20.301 -1.148 0.252 1.00 0.59 N ATOM 2123 CA ASN B 36 -21.370 -0.672 1.113 1.00 0.63 C ATOM 2124 C ASN B 36 -20.786 0.271 2.131 1.00 0.59 C ATOM 2125 O ASN B 36 -21.058 1.470 2.101 1.00 0.59 O ATOM 2126 CB ASN B 36 -22.091 -1.828 1.811 1.00 0.70 C ATOM 2127 CG ASN B 36 -22.920 -2.676 0.863 1.00 1.34 C ATOM 2128 OD1 ASN B 36 -22.906 -3.905 0.945 1.00 2.16 O ATOM 2129 ND2 ASN B 36 -23.661 -2.031 -0.031 1.00 1.90 N ATOM 0 H ASN B 36 -19.945 -2.074 0.491 1.00 0.59 H new ATOM 0 HA ASN B 36 -22.110 -0.155 0.502 1.00 0.63 H new ATOM 0 HB2 ASN B 36 -21.354 -2.462 2.305 1.00 0.70 H new ATOM 0 HB3 ASN B 36 -22.739 -1.426 2.590 1.00 0.70 H new ATOM 0 HD21 ASN B 36 -24.246 -2.555 -0.682 1.00 1.90 H new ATOM 0 HD22 ASN B 36 -23.645 -1.012 -0.067 1.00 1.90 H new ATOM 2136 N GLU B 37 -19.982 -0.254 3.044 1.00 0.58 N ATOM 2137 CA GLU B 37 -19.360 0.628 4.006 1.00 0.56 C ATOM 2138 C GLU B 37 -18.309 1.477 3.311 1.00 0.50 C ATOM 2139 O GLU B 37 -17.823 2.456 3.878 1.00 0.53 O ATOM 2140 CB GLU B 37 -18.773 -0.113 5.192 1.00 0.68 C ATOM 2141 CG GLU B 37 -19.561 -1.352 5.575 1.00 0.76 C ATOM 2142 CD GLU B 37 -19.051 -2.002 6.845 1.00 0.77 C ATOM 2143 OE1 GLU B 37 -19.423 -1.535 7.941 1.00 1.41 O ATOM 2144 OE2 GLU B 37 -18.280 -2.979 6.743 1.00 1.28 O ATOM 0 H GLU B 37 -19.755 -1.244 3.135 1.00 0.58 H new ATOM 0 HA GLU B 37 -20.137 1.275 4.414 1.00 0.56 H new ATOM 0 HB2 GLU B 37 -17.747 -0.400 4.961 1.00 0.68 H new ATOM 0 HB3 GLU B 37 -18.730 0.561 6.048 1.00 0.68 H new ATOM 0 HG2 GLU B 37 -20.610 -1.084 5.705 1.00 0.76 H new ATOM 0 HG3 GLU B 37 -19.515 -2.073 4.759 1.00 0.76 H new ATOM 2151 N PHE B 38 -17.938 1.105 2.075 1.00 0.47 N ATOM 2152 CA PHE B 38 -17.010 1.908 1.312 1.00 0.43 C ATOM 2153 C PHE B 38 -17.612 3.304 1.206 1.00 0.45 C ATOM 2154 O PHE B 38 -16.913 4.300 1.148 1.00 0.46 O ATOM 2155 CB PHE B 38 -16.792 1.307 -0.077 1.00 0.43 C ATOM 2156 CG PHE B 38 -15.643 1.907 -0.833 1.00 0.41 C ATOM 2157 CD1 PHE B 38 -15.649 3.243 -1.189 1.00 1.21 C ATOM 2158 CD2 PHE B 38 -14.557 1.129 -1.185 1.00 1.30 C ATOM 2159 CE1 PHE B 38 -14.586 3.794 -1.883 1.00 1.21 C ATOM 2160 CE2 PHE B 38 -13.492 1.670 -1.879 1.00 1.32 C ATOM 2161 CZ PHE B 38 -13.506 3.005 -2.229 1.00 0.46 C ATOM 0 H PHE B 38 -18.269 0.264 1.601 1.00 0.47 H new ATOM 0 HA PHE B 38 -16.037 1.944 1.801 1.00 0.43 H new ATOM 0 HB2 PHE B 38 -16.625 0.235 0.025 1.00 0.43 H new ATOM 0 HB3 PHE B 38 -17.703 1.433 -0.662 1.00 0.43 H new ATOM 0 HD1 PHE B 38 -16.492 3.863 -0.923 1.00 1.21 H new ATOM 0 HD2 PHE B 38 -14.540 0.084 -0.914 1.00 1.30 H new ATOM 0 HE1 PHE B 38 -14.601 4.839 -2.154 1.00 1.21 H new ATOM 0 HE2 PHE B 38 -12.650 1.049 -2.147 1.00 1.32 H new ATOM 0 HZ PHE B 38 -12.675 3.431 -2.772 1.00 0.46 H new ATOM 2171 N LYS B 39 -18.948 3.348 1.231 1.00 0.49 N ATOM 2172 CA LYS B 39 -19.683 4.607 1.189 1.00 0.53 C ATOM 2173 C LYS B 39 -19.295 5.475 2.389 1.00 0.54 C ATOM 2174 O LYS B 39 -19.652 6.649 2.477 1.00 0.58 O ATOM 2175 CB LYS B 39 -21.179 4.324 1.185 1.00 0.62 C ATOM 2176 CG LYS B 39 -21.564 3.285 0.158 1.00 0.68 C ATOM 2177 CD LYS B 39 -22.284 3.895 -1.031 1.00 0.70 C ATOM 2178 CE LYS B 39 -23.627 4.483 -0.627 1.00 1.49 C ATOM 2179 NZ LYS B 39 -24.547 3.444 -0.088 1.00 1.82 N ATOM 0 H LYS B 39 -19.541 2.519 1.280 1.00 0.49 H new ATOM 0 HA LYS B 39 -19.430 5.149 0.278 1.00 0.53 H new ATOM 0 HB2 LYS B 39 -21.485 3.984 2.174 1.00 0.62 H new ATOM 0 HB3 LYS B 39 -21.721 5.248 0.984 1.00 0.62 H new ATOM 0 HG2 LYS B 39 -20.668 2.768 -0.187 1.00 0.68 H new ATOM 0 HG3 LYS B 39 -22.205 2.536 0.624 1.00 0.68 H new ATOM 0 HD2 LYS B 39 -21.663 4.674 -1.474 1.00 0.70 H new ATOM 0 HD3 LYS B 39 -22.434 3.134 -1.797 1.00 0.70 H new ATOM 0 HE2 LYS B 39 -23.473 5.257 0.125 1.00 1.49 H new ATOM 0 HE3 LYS B 39 -24.088 4.964 -1.490 1.00 1.49 H new ATOM 0 HZ1 LYS B 39 -25.517 3.819 -0.063 1.00 1.82 H new ATOM 0 HZ2 LYS B 39 -24.517 2.603 -0.699 1.00 1.82 H new ATOM 0 HZ3 LYS B 39 -24.251 3.184 0.874 1.00 1.82 H new ATOM 2193 N GLU B 40 -18.651 4.853 3.357 1.00 0.53 N ATOM 2194 CA GLU B 40 -18.130 5.549 4.513 1.00 0.57 C ATOM 2195 C GLU B 40 -16.742 6.120 4.189 1.00 0.55 C ATOM 2196 O GLU B 40 -16.126 6.785 5.021 1.00 0.61 O ATOM 2197 CB GLU B 40 -18.032 4.582 5.691 1.00 0.61 C ATOM 2198 CG GLU B 40 -19.294 3.773 5.916 1.00 1.09 C ATOM 2199 CD GLU B 40 -20.491 4.641 6.249 1.00 1.91 C ATOM 2200 OE1 GLU B 40 -21.183 5.087 5.310 1.00 2.62 O ATOM 2201 OE2 GLU B 40 -20.739 4.872 7.451 1.00 2.42 O ATOM 0 H GLU B 40 -18.475 3.848 3.362 1.00 0.53 H new ATOM 0 HA GLU B 40 -18.800 6.367 4.776 1.00 0.57 H new ATOM 0 HB2 GLU B 40 -17.198 3.900 5.523 1.00 0.61 H new ATOM 0 HB3 GLU B 40 -17.805 5.146 6.596 1.00 0.61 H new ATOM 0 HG2 GLU B 40 -19.511 3.189 5.022 1.00 1.09 H new ATOM 0 HG3 GLU B 40 -19.127 3.064 6.727 1.00 1.09 H new ATOM 2208 N LEU B 41 -16.257 5.857 2.965 1.00 0.50 N ATOM 2209 CA LEU B 41 -14.934 6.293 2.550 1.00 0.50 C ATOM 2210 C LEU B 41 -14.931 7.750 2.139 1.00 0.55 C ATOM 2211 O LEU B 41 -14.674 8.621 2.960 1.00 0.63 O ATOM 2212 CB LEU B 41 -14.408 5.440 1.384 1.00 0.46 C ATOM 2213 CG LEU B 41 -14.249 3.932 1.614 1.00 0.44 C ATOM 2214 CD1 LEU B 41 -12.994 3.433 0.917 1.00 0.55 C ATOM 2215 CD2 LEU B 41 -14.215 3.562 3.095 1.00 0.66 C ATOM 0 H LEU B 41 -16.771 5.342 2.250 1.00 0.50 H new ATOM 0 HA LEU B 41 -14.278 6.168 3.412 1.00 0.50 H new ATOM 0 HB2 LEU B 41 -15.080 5.580 0.537 1.00 0.46 H new ATOM 0 HB3 LEU B 41 -13.437 5.838 1.090 1.00 0.46 H new ATOM 0 HG LEU B 41 -15.127 3.446 1.188 1.00 0.44 H new ATOM 0 HD11 LEU B 41 -12.887 2.361 1.084 1.00 0.55 H new ATOM 0 HD12 LEU B 41 -13.070 3.628 -0.153 1.00 0.55 H new ATOM 0 HD13 LEU B 41 -12.124 3.952 1.319 1.00 0.55 H new ATOM 0 HD21 LEU B 41 -14.101 2.483 3.198 1.00 0.66 H new ATOM 0 HD22 LEU B 41 -13.375 4.063 3.576 1.00 0.66 H new ATOM 0 HD23 LEU B 41 -15.145 3.876 3.570 1.00 0.66 H new ATOM 2227 N ALA B 42 -15.235 8.023 0.865 1.00 0.55 N ATOM 2228 CA ALA B 42 -15.233 9.400 0.362 1.00 0.62 C ATOM 2229 C ALA B 42 -15.943 10.302 1.337 1.00 0.68 C ATOM 2230 O ALA B 42 -15.509 11.407 1.624 1.00 0.76 O ATOM 2231 CB ALA B 42 -15.910 9.485 -0.981 1.00 0.65 C ATOM 0 H ALA B 42 -15.483 7.318 0.171 1.00 0.55 H new ATOM 0 HA ALA B 42 -14.197 9.719 0.251 1.00 0.62 H new ATOM 0 HB1 ALA B 42 -15.895 10.517 -1.331 1.00 0.65 H new ATOM 0 HB2 ALA B 42 -15.383 8.852 -1.695 1.00 0.65 H new ATOM 0 HB3 ALA B 42 -16.943 9.148 -0.890 1.00 0.65 H new ATOM 2237 N THR B 43 -17.036 9.792 1.850 1.00 0.65 N ATOM 2238 CA THR B 43 -17.838 10.510 2.811 1.00 0.73 C ATOM 2239 C THR B 43 -16.981 11.077 3.939 1.00 0.78 C ATOM 2240 O THR B 43 -16.948 12.283 4.175 1.00 0.85 O ATOM 2241 CB THR B 43 -18.909 9.596 3.414 1.00 0.73 C ATOM 2242 OG1 THR B 43 -18.356 8.295 3.670 1.00 0.66 O ATOM 2243 CG2 THR B 43 -20.086 9.481 2.468 1.00 0.76 C ATOM 0 H THR B 43 -17.395 8.867 1.613 1.00 0.65 H new ATOM 0 HA THR B 43 -18.314 11.333 2.279 1.00 0.73 H new ATOM 0 HB THR B 43 -19.253 10.027 4.354 1.00 0.73 H new ATOM 0 HG1 THR B 43 -18.622 7.680 2.955 1.00 0.66 H new ATOM 0 HG21 THR B 43 -20.842 8.829 2.906 1.00 0.76 H new ATOM 0 HG22 THR B 43 -20.513 10.469 2.297 1.00 0.76 H new ATOM 0 HG23 THR B 43 -19.751 9.062 1.519 1.00 0.76 H new ATOM 2251 N GLN B 44 -16.292 10.177 4.625 1.00 0.76 N ATOM 2252 CA GLN B 44 -15.433 10.531 5.745 1.00 0.84 C ATOM 2253 C GLN B 44 -14.074 11.040 5.280 1.00 0.83 C ATOM 2254 O GLN B 44 -13.576 12.049 5.781 1.00 0.92 O ATOM 2255 CB GLN B 44 -15.273 9.304 6.636 1.00 0.87 C ATOM 2256 CG GLN B 44 -16.602 8.656 6.988 1.00 1.54 C ATOM 2257 CD GLN B 44 -16.437 7.387 7.802 1.00 2.04 C ATOM 2258 OE1 GLN B 44 -15.448 6.667 7.659 1.00 2.53 O ATOM 2259 NE2 GLN B 44 -17.405 7.107 8.668 1.00 2.74 N ATOM 0 H GLN B 44 -16.313 9.178 4.420 1.00 0.76 H new ATOM 0 HA GLN B 44 -15.896 11.344 6.304 1.00 0.84 H new ATOM 0 HB2 GLN B 44 -14.640 8.574 6.131 1.00 0.87 H new ATOM 0 HB3 GLN B 44 -14.759 9.591 7.554 1.00 0.87 H new ATOM 0 HG2 GLN B 44 -17.210 9.366 7.548 1.00 1.54 H new ATOM 0 HG3 GLN B 44 -17.144 8.426 6.071 1.00 1.54 H new ATOM 0 HE21 GLN B 44 -18.207 7.731 8.755 1.00 2.74 H new ATOM 0 HE22 GLN B 44 -17.346 6.269 9.246 1.00 2.74 H new ATOM 2268 N GLN B 45 -13.470 10.336 4.335 1.00 0.79 N ATOM 2269 CA GLN B 45 -12.177 10.728 3.810 1.00 0.82 C ATOM 2270 C GLN B 45 -12.288 12.014 2.992 1.00 0.78 C ATOM 2271 O GLN B 45 -11.272 12.613 2.641 1.00 0.79 O ATOM 2272 CB GLN B 45 -11.568 9.581 3.004 1.00 0.93 C ATOM 2273 CG GLN B 45 -12.034 9.472 1.564 1.00 0.95 C ATOM 2274 CD GLN B 45 -10.952 8.894 0.680 1.00 1.37 C ATOM 2275 OE1 GLN B 45 -9.997 9.577 0.339 1.00 2.35 O ATOM 2276 NE2 GLN B 45 -11.093 7.632 0.300 1.00 1.45 N ATOM 0 H GLN B 45 -13.857 9.490 3.917 1.00 0.79 H new ATOM 0 HA GLN B 45 -11.505 10.941 4.641 1.00 0.82 H new ATOM 0 HB2 GLN B 45 -10.484 9.693 3.009 1.00 0.93 H new ATOM 0 HB3 GLN B 45 -11.794 8.644 3.512 1.00 0.93 H new ATOM 0 HG2 GLN B 45 -12.923 8.843 1.514 1.00 0.95 H new ATOM 0 HG3 GLN B 45 -12.320 10.457 1.196 1.00 0.95 H new ATOM 0 HE21 GLN B 45 -11.904 7.095 0.606 1.00 1.45 H new ATOM 0 HE22 GLN B 45 -10.390 7.198 -0.298 1.00 1.45 H new ATOM 2285 N LEU B 46 -13.529 12.431 2.676 1.00 0.78 N ATOM 2286 CA LEU B 46 -13.777 13.670 1.942 1.00 0.78 C ATOM 2287 C LEU B 46 -12.832 14.743 2.444 1.00 0.74 C ATOM 2288 O LEU B 46 -11.872 15.071 1.751 1.00 0.75 O ATOM 2289 CB LEU B 46 -15.237 14.143 2.075 1.00 0.83 C ATOM 2290 CG LEU B 46 -16.096 14.058 0.804 1.00 1.04 C ATOM 2291 CD1 LEU B 46 -17.376 14.862 0.976 1.00 1.25 C ATOM 2292 CD2 LEU B 46 -15.317 14.553 -0.405 1.00 1.30 C ATOM 0 H LEU B 46 -14.375 11.918 2.923 1.00 0.78 H new ATOM 0 HA LEU B 46 -13.599 13.478 0.884 1.00 0.78 H new ATOM 0 HB2 LEU B 46 -15.719 13.552 2.854 1.00 0.83 H new ATOM 0 HB3 LEU B 46 -15.232 15.178 2.417 1.00 0.83 H new ATOM 0 HG LEU B 46 -16.360 13.014 0.637 1.00 1.04 H new ATOM 0 HD11 LEU B 46 -17.974 14.792 0.068 1.00 1.25 H new ATOM 0 HD12 LEU B 46 -17.945 14.465 1.817 1.00 1.25 H new ATOM 0 HD13 LEU B 46 -17.127 15.906 1.167 1.00 1.25 H new ATOM 0 HD21 LEU B 46 -15.943 14.484 -1.294 1.00 1.30 H new ATOM 0 HD22 LEU B 46 -15.022 15.591 -0.248 1.00 1.30 H new ATOM 0 HD23 LEU B 46 -14.426 13.939 -0.540 1.00 1.30 H new ATOM 2304 N PRO B 47 -13.036 15.293 3.664 1.00 0.78 N ATOM 2305 CA PRO B 47 -12.113 16.296 4.139 1.00 0.80 C ATOM 2306 C PRO B 47 -10.869 15.703 4.734 1.00 0.77 C ATOM 2307 O PRO B 47 -10.799 15.358 5.915 1.00 0.82 O ATOM 2308 CB PRO B 47 -12.919 16.991 5.228 1.00 0.91 C ATOM 2309 CG PRO B 47 -13.787 15.910 5.782 1.00 0.95 C ATOM 2310 CD PRO B 47 -14.123 15.018 4.616 1.00 0.90 C ATOM 0 HA PRO B 47 -11.764 16.946 3.336 1.00 0.80 H new ATOM 0 HB2 PRO B 47 -12.271 17.415 5.995 1.00 0.91 H new ATOM 0 HB3 PRO B 47 -13.512 17.811 4.823 1.00 0.91 H new ATOM 0 HG2 PRO B 47 -13.269 15.354 6.563 1.00 0.95 H new ATOM 0 HG3 PRO B 47 -14.690 16.324 6.231 1.00 0.95 H new ATOM 0 HD2 PRO B 47 -14.149 13.968 4.906 1.00 0.90 H new ATOM 0 HD3 PRO B 47 -15.099 15.257 4.194 1.00 0.90 H new ATOM 2318 N HIS B 48 -9.895 15.589 3.871 1.00 0.73 N ATOM 2319 CA HIS B 48 -8.574 15.162 4.211 1.00 0.75 C ATOM 2320 C HIS B 48 -7.685 16.381 4.326 1.00 0.83 C ATOM 2321 O HIS B 48 -8.170 17.494 4.534 1.00 0.91 O ATOM 2322 CB HIS B 48 -8.097 14.195 3.154 1.00 0.73 C ATOM 2323 CG HIS B 48 -7.957 12.807 3.683 1.00 0.98 C ATOM 2324 ND1 HIS B 48 -9.013 11.931 3.755 1.00 1.86 N ATOM 2325 CD2 HIS B 48 -6.893 12.160 4.210 1.00 1.34 C ATOM 2326 CE1 HIS B 48 -8.611 10.805 4.307 1.00 2.02 C ATOM 2327 NE2 HIS B 48 -7.328 10.915 4.592 1.00 1.59 N ATOM 0 H HIS B 48 -10.009 15.799 2.879 1.00 0.73 H new ATOM 0 HA HIS B 48 -8.551 14.645 5.171 1.00 0.75 H new ATOM 0 HB2 HIS B 48 -8.799 14.195 2.320 1.00 0.73 H new ATOM 0 HB3 HIS B 48 -7.137 14.532 2.763 1.00 0.73 H new ATOM 0 HD2 HIS B 48 -5.891 12.549 4.311 1.00 1.34 H new ATOM 0 HE1 HIS B 48 -9.227 9.938 4.495 1.00 2.02 H new ATOM 0 HE2 HIS B 48 -6.753 10.193 5.026 1.00 1.59 H new ATOM 2336 N LEU B 49 -6.386 16.180 4.189 1.00 0.89 N ATOM 2337 CA LEU B 49 -5.477 17.300 4.155 1.00 1.00 C ATOM 2338 C LEU B 49 -5.506 17.844 2.724 1.00 0.98 C ATOM 2339 O LEU B 49 -6.250 18.774 2.419 1.00 1.02 O ATOM 2340 CB LEU B 49 -4.065 16.879 4.578 1.00 1.10 C ATOM 2341 CG LEU B 49 -2.995 17.962 4.442 1.00 1.62 C ATOM 2342 CD1 LEU B 49 -3.472 19.264 5.067 1.00 2.02 C ATOM 2343 CD2 LEU B 49 -1.697 17.506 5.091 1.00 2.44 C ATOM 0 H LEU B 49 -5.947 15.264 4.101 1.00 0.89 H new ATOM 0 HA LEU B 49 -5.780 18.073 4.861 1.00 1.00 H new ATOM 0 HB2 LEU B 49 -4.097 16.551 5.617 1.00 1.10 H new ATOM 0 HB3 LEU B 49 -3.766 16.018 3.981 1.00 1.10 H new ATOM 0 HG LEU B 49 -2.812 18.136 3.382 1.00 1.62 H new ATOM 0 HD11 LEU B 49 -2.698 20.024 4.961 1.00 2.02 H new ATOM 0 HD12 LEU B 49 -4.379 19.598 4.564 1.00 2.02 H new ATOM 0 HD13 LEU B 49 -3.681 19.105 6.125 1.00 2.02 H new ATOM 0 HD21 LEU B 49 -0.944 18.287 4.987 1.00 2.44 H new ATOM 0 HD22 LEU B 49 -1.869 17.307 6.149 1.00 2.44 H new ATOM 0 HD23 LEU B 49 -1.346 16.596 4.603 1.00 2.44 H new ATOM 2355 N LEU B 50 -4.690 17.254 1.853 1.00 0.98 N ATOM 2356 CA LEU B 50 -4.669 17.619 0.437 1.00 1.01 C ATOM 2357 C LEU B 50 -5.746 16.820 -0.311 1.00 0.92 C ATOM 2358 O LEU B 50 -5.463 16.182 -1.325 1.00 1.01 O ATOM 2359 CB LEU B 50 -3.288 17.347 -0.169 1.00 1.11 C ATOM 2360 CG LEU B 50 -3.110 17.807 -1.618 1.00 1.60 C ATOM 2361 CD1 LEU B 50 -3.380 19.299 -1.743 1.00 1.97 C ATOM 2362 CD2 LEU B 50 -1.709 17.475 -2.114 1.00 2.24 C ATOM 0 H LEU B 50 -4.031 16.517 2.104 1.00 0.98 H new ATOM 0 HA LEU B 50 -4.878 18.685 0.341 1.00 1.01 H new ATOM 0 HB2 LEU B 50 -2.535 17.839 0.447 1.00 1.11 H new ATOM 0 HB3 LEU B 50 -3.091 16.276 -0.118 1.00 1.11 H new ATOM 0 HG LEU B 50 -3.831 17.275 -2.238 1.00 1.60 H new ATOM 0 HD11 LEU B 50 -3.248 19.607 -2.780 1.00 1.97 H new ATOM 0 HD12 LEU B 50 -4.402 19.511 -1.428 1.00 1.97 H new ATOM 0 HD13 LEU B 50 -2.684 19.849 -1.110 1.00 1.97 H new ATOM 0 HD21 LEU B 50 -1.600 17.809 -3.146 1.00 2.24 H new ATOM 0 HD22 LEU B 50 -0.973 17.980 -1.489 1.00 2.24 H new ATOM 0 HD23 LEU B 50 -1.551 16.398 -2.063 1.00 2.24 H new ATOM 2374 N LYS B 51 -6.978 16.863 0.194 1.00 0.85 N ATOM 2375 CA LYS B 51 -8.090 16.113 -0.379 1.00 0.80 C ATOM 2376 C LYS B 51 -8.085 16.095 -1.902 1.00 0.89 C ATOM 2377 O LYS B 51 -7.444 16.918 -2.556 1.00 1.04 O ATOM 2378 CB LYS B 51 -9.421 16.672 0.147 1.00 0.95 C ATOM 2379 CG LYS B 51 -10.677 16.193 -0.600 1.00 1.24 C ATOM 2380 CD LYS B 51 -11.920 17.047 -0.312 1.00 2.12 C ATOM 2381 CE LYS B 51 -11.960 17.616 1.101 1.00 2.68 C ATOM 2382 NZ LYS B 51 -11.779 19.095 1.113 1.00 3.58 N ATOM 0 H LYS B 51 -7.231 17.419 1.011 1.00 0.85 H new ATOM 0 HA LYS B 51 -7.970 15.077 -0.062 1.00 0.80 H new ATOM 0 HB2 LYS B 51 -9.519 16.402 1.199 1.00 0.95 H new ATOM 0 HB3 LYS B 51 -9.383 17.760 0.099 1.00 0.95 H new ATOM 0 HG2 LYS B 51 -10.479 16.202 -1.672 1.00 1.24 H new ATOM 0 HG3 LYS B 51 -10.883 15.159 -0.323 1.00 1.24 H new ATOM 0 HD2 LYS B 51 -11.958 17.869 -1.026 1.00 2.12 H new ATOM 0 HD3 LYS B 51 -12.811 16.441 -0.475 1.00 2.12 H new ATOM 0 HE2 LYS B 51 -12.913 17.364 1.566 1.00 2.68 H new ATOM 0 HE3 LYS B 51 -11.179 17.150 1.702 1.00 2.68 H new ATOM 0 HZ1 LYS B 51 -11.813 19.441 2.093 1.00 3.58 H new ATOM 0 HZ2 LYS B 51 -10.859 19.336 0.692 1.00 3.58 H new ATOM 0 HZ3 LYS B 51 -12.539 19.542 0.562 1.00 3.58 H new ATOM 2396 N ASP B 52 -8.826 15.131 -2.444 1.00 0.92 N ATOM 2397 CA ASP B 52 -8.965 14.968 -3.879 1.00 1.17 C ATOM 2398 C ASP B 52 -10.332 15.489 -4.290 1.00 1.24 C ATOM 2399 O ASP B 52 -10.476 16.109 -5.338 1.00 1.47 O ATOM 2400 CB ASP B 52 -8.810 13.499 -4.276 1.00 1.29 C ATOM 2401 CG ASP B 52 -7.394 12.996 -4.080 1.00 1.87 C ATOM 2402 OD1 ASP B 52 -6.773 13.352 -3.056 1.00 2.61 O ATOM 2403 OD2 ASP B 52 -6.901 12.251 -4.953 1.00 2.35 O ATOM 0 H ASP B 52 -9.344 14.444 -1.896 1.00 0.92 H new ATOM 0 HA ASP B 52 -8.183 15.530 -4.390 1.00 1.17 H new ATOM 0 HB2 ASP B 52 -9.494 12.891 -3.684 1.00 1.29 H new ATOM 0 HB3 ASP B 52 -9.096 13.375 -5.321 1.00 1.29 H new ATOM 2408 N VAL B 53 -11.324 15.235 -3.424 1.00 1.14 N ATOM 2409 CA VAL B 53 -12.701 15.684 -3.614 1.00 1.27 C ATOM 2410 C VAL B 53 -13.589 14.612 -4.236 1.00 1.24 C ATOM 2411 O VAL B 53 -13.893 14.600 -5.427 1.00 1.46 O ATOM 2412 CB VAL B 53 -12.790 17.046 -4.356 1.00 1.58 C ATOM 2413 CG1 VAL B 53 -12.921 16.918 -5.873 1.00 2.18 C ATOM 2414 CG2 VAL B 53 -13.937 17.870 -3.792 1.00 1.92 C ATOM 0 H VAL B 53 -11.185 14.705 -2.563 1.00 1.14 H new ATOM 0 HA VAL B 53 -13.101 15.861 -2.616 1.00 1.27 H new ATOM 0 HB VAL B 53 -11.841 17.553 -4.181 1.00 1.58 H new ATOM 0 HG11 VAL B 53 -12.978 17.911 -6.318 1.00 2.18 H new ATOM 0 HG12 VAL B 53 -12.053 16.391 -6.270 1.00 2.18 H new ATOM 0 HG13 VAL B 53 -13.826 16.360 -6.114 1.00 2.18 H new ATOM 0 HG21 VAL B 53 -13.993 18.823 -4.317 1.00 1.92 H new ATOM 0 HG22 VAL B 53 -14.873 17.328 -3.923 1.00 1.92 H new ATOM 0 HG23 VAL B 53 -13.768 18.050 -2.730 1.00 1.92 H new ATOM 2424 N GLY B 54 -13.968 13.676 -3.394 1.00 1.06 N ATOM 2425 CA GLY B 54 -14.859 12.615 -3.825 1.00 1.09 C ATOM 2426 C GLY B 54 -16.171 13.164 -4.346 1.00 1.13 C ATOM 2427 O GLY B 54 -17.082 13.462 -3.576 1.00 1.23 O ATOM 0 H GLY B 54 -13.679 13.625 -2.417 1.00 1.06 H new ATOM 0 HA2 GLY B 54 -14.375 12.027 -4.605 1.00 1.09 H new ATOM 0 HA3 GLY B 54 -15.052 11.940 -2.991 1.00 1.09 H new ATOM 2431 N SER B 55 -16.256 13.322 -5.660 1.00 1.16 N ATOM 2432 CA SER B 55 -17.459 13.839 -6.290 1.00 1.24 C ATOM 2433 C SER B 55 -18.627 12.887 -6.071 1.00 1.10 C ATOM 2434 O SER B 55 -18.447 11.670 -6.039 1.00 1.09 O ATOM 2435 CB SER B 55 -17.212 14.042 -7.780 1.00 1.40 C ATOM 2436 OG SER B 55 -18.217 14.854 -8.362 1.00 1.62 O ATOM 0 H SER B 55 -15.503 13.098 -6.310 1.00 1.16 H new ATOM 0 HA SER B 55 -17.711 14.798 -5.837 1.00 1.24 H new ATOM 0 HB2 SER B 55 -16.236 14.504 -7.929 1.00 1.40 H new ATOM 0 HB3 SER B 55 -17.187 13.075 -8.282 1.00 1.40 H new ATOM 0 HG SER B 55 -18.032 14.969 -9.318 1.00 1.62 H new ATOM 2442 N LEU B 56 -19.824 13.444 -5.922 1.00 1.15 N ATOM 2443 CA LEU B 56 -21.015 12.634 -5.695 1.00 1.10 C ATOM 2444 C LEU B 56 -21.092 11.478 -6.687 1.00 0.98 C ATOM 2445 O LEU B 56 -21.318 10.332 -6.301 1.00 0.97 O ATOM 2446 CB LEU B 56 -22.278 13.495 -5.793 1.00 1.28 C ATOM 2447 CG LEU B 56 -22.354 14.655 -4.798 1.00 2.03 C ATOM 2448 CD1 LEU B 56 -23.660 15.416 -4.963 1.00 2.61 C ATOM 2449 CD2 LEU B 56 -22.207 14.146 -3.372 1.00 2.83 C ATOM 0 H LEU B 56 -19.995 14.449 -5.954 1.00 1.15 H new ATOM 0 HA LEU B 56 -20.948 12.218 -4.690 1.00 1.10 H new ATOM 0 HB2 LEU B 56 -22.346 13.899 -6.803 1.00 1.28 H new ATOM 0 HB3 LEU B 56 -23.148 12.854 -5.647 1.00 1.28 H new ATOM 0 HG LEU B 56 -21.531 15.339 -5.004 1.00 2.03 H new ATOM 0 HD11 LEU B 56 -23.696 16.237 -4.247 1.00 2.61 H new ATOM 0 HD12 LEU B 56 -23.723 15.815 -5.976 1.00 2.61 H new ATOM 0 HD13 LEU B 56 -24.498 14.743 -4.785 1.00 2.61 H new ATOM 0 HD21 LEU B 56 -22.264 14.985 -2.679 1.00 2.83 H new ATOM 0 HD22 LEU B 56 -23.008 13.440 -3.153 1.00 2.83 H new ATOM 0 HD23 LEU B 56 -21.244 13.648 -3.261 1.00 2.83 H new ATOM 2461 N ASP B 57 -20.903 11.785 -7.965 1.00 1.00 N ATOM 2462 CA ASP B 57 -20.944 10.758 -9.001 1.00 1.01 C ATOM 2463 C ASP B 57 -19.794 9.797 -8.849 1.00 0.95 C ATOM 2464 O ASP B 57 -19.972 8.582 -8.803 1.00 0.97 O ATOM 2465 CB ASP B 57 -20.886 11.358 -10.399 1.00 1.15 C ATOM 2466 CG ASP B 57 -19.982 12.572 -10.487 1.00 1.69 C ATOM 2467 OD1 ASP B 57 -18.760 12.390 -10.668 1.00 2.19 O ATOM 2468 OD2 ASP B 57 -20.496 13.705 -10.374 1.00 2.48 O ATOM 0 H ASP B 57 -20.721 12.728 -8.308 1.00 1.00 H new ATOM 0 HA ASP B 57 -21.891 10.233 -8.878 1.00 1.01 H new ATOM 0 HB2 ASP B 57 -20.536 10.600 -11.099 1.00 1.15 H new ATOM 0 HB3 ASP B 57 -21.892 11.638 -10.710 1.00 1.15 H new ATOM 2473 N GLU B 58 -18.618 10.368 -8.765 1.00 0.94 N ATOM 2474 CA GLU B 58 -17.390 9.600 -8.622 1.00 0.95 C ATOM 2475 C GLU B 58 -17.552 8.584 -7.511 1.00 0.87 C ATOM 2476 O GLU B 58 -17.246 7.404 -7.678 1.00 0.90 O ATOM 2477 CB GLU B 58 -16.213 10.526 -8.326 1.00 0.98 C ATOM 2478 CG GLU B 58 -15.759 11.325 -9.537 1.00 1.44 C ATOM 2479 CD GLU B 58 -14.428 12.016 -9.316 1.00 1.80 C ATOM 2480 OE1 GLU B 58 -13.380 11.375 -9.546 1.00 2.29 O ATOM 2481 OE2 GLU B 58 -14.431 13.199 -8.914 1.00 2.42 O ATOM 0 H GLU B 58 -18.477 11.378 -8.793 1.00 0.94 H new ATOM 0 HA GLU B 58 -17.187 9.078 -9.557 1.00 0.95 H new ATOM 0 HB2 GLU B 58 -16.493 11.215 -7.529 1.00 0.98 H new ATOM 0 HB3 GLU B 58 -15.377 9.933 -7.956 1.00 0.98 H new ATOM 0 HG2 GLU B 58 -15.680 10.660 -10.397 1.00 1.44 H new ATOM 0 HG3 GLU B 58 -16.516 12.071 -9.779 1.00 1.44 H new ATOM 2488 N LYS B 59 -18.048 9.056 -6.379 1.00 0.81 N ATOM 2489 CA LYS B 59 -18.280 8.189 -5.249 1.00 0.76 C ATOM 2490 C LYS B 59 -19.257 7.084 -5.617 1.00 0.80 C ATOM 2491 O LYS B 59 -19.242 6.010 -5.021 1.00 0.79 O ATOM 2492 CB LYS B 59 -18.776 8.998 -4.050 1.00 0.75 C ATOM 2493 CG LYS B 59 -17.754 10.022 -3.584 1.00 0.75 C ATOM 2494 CD LYS B 59 -18.377 11.120 -2.738 1.00 1.14 C ATOM 2495 CE LYS B 59 -19.136 10.560 -1.550 1.00 1.95 C ATOM 2496 NZ LYS B 59 -19.966 11.600 -0.885 1.00 2.67 N ATOM 0 H LYS B 59 -18.295 10.033 -6.224 1.00 0.81 H new ATOM 0 HA LYS B 59 -17.338 7.718 -4.967 1.00 0.76 H new ATOM 0 HB2 LYS B 59 -19.702 9.507 -4.316 1.00 0.75 H new ATOM 0 HB3 LYS B 59 -19.009 8.321 -3.229 1.00 0.75 H new ATOM 0 HG2 LYS B 59 -16.977 9.520 -3.007 1.00 0.75 H new ATOM 0 HG3 LYS B 59 -17.268 10.468 -4.452 1.00 0.75 H new ATOM 0 HD2 LYS B 59 -17.596 11.793 -2.385 1.00 1.14 H new ATOM 0 HD3 LYS B 59 -19.053 11.713 -3.354 1.00 1.14 H new ATOM 0 HE2 LYS B 59 -19.775 9.741 -1.880 1.00 1.95 H new ATOM 0 HE3 LYS B 59 -18.430 10.144 -0.831 1.00 1.95 H new ATOM 0 HZ1 LYS B 59 -20.108 11.345 0.113 1.00 2.67 H new ATOM 0 HZ2 LYS B 59 -19.482 12.519 -0.942 1.00 2.67 H new ATOM 0 HZ3 LYS B 59 -20.889 11.664 -1.361 1.00 2.67 H new ATOM 2510 N MET B 60 -20.111 7.361 -6.599 1.00 0.86 N ATOM 2511 CA MET B 60 -21.095 6.385 -7.062 1.00 0.92 C ATOM 2512 C MET B 60 -20.502 5.401 -8.074 1.00 0.96 C ATOM 2513 O MET B 60 -20.820 4.212 -8.053 1.00 1.01 O ATOM 2514 CB MET B 60 -22.307 7.098 -7.661 1.00 1.00 C ATOM 2515 CG MET B 60 -23.161 7.807 -6.622 1.00 1.01 C ATOM 2516 SD MET B 60 -24.585 8.639 -7.347 1.00 1.74 S ATOM 2517 CE MET B 60 -25.436 7.253 -8.097 1.00 2.31 C ATOM 0 H MET B 60 -20.142 8.254 -7.090 1.00 0.86 H new ATOM 0 HA MET B 60 -21.411 5.805 -6.194 1.00 0.92 H new ATOM 0 HB2 MET B 60 -21.965 7.825 -8.398 1.00 1.00 H new ATOM 0 HB3 MET B 60 -22.922 6.371 -8.192 1.00 1.00 H new ATOM 0 HG2 MET B 60 -23.505 7.082 -5.884 1.00 1.01 H new ATOM 0 HG3 MET B 60 -22.550 8.537 -6.091 1.00 1.01 H new ATOM 0 HE1 MET B 60 -26.483 7.511 -8.254 1.00 2.31 H new ATOM 0 HE2 MET B 60 -24.973 7.017 -9.055 1.00 2.31 H new ATOM 0 HE3 MET B 60 -25.371 6.387 -7.439 1.00 2.31 H new ATOM 2527 N LYS B 61 -19.643 5.902 -8.953 1.00 0.97 N ATOM 2528 CA LYS B 61 -19.022 5.062 -9.985 1.00 1.02 C ATOM 2529 C LYS B 61 -17.922 4.208 -9.390 1.00 0.96 C ATOM 2530 O LYS B 61 -17.854 3.003 -9.631 1.00 0.92 O ATOM 2531 CB LYS B 61 -18.427 5.899 -11.132 1.00 1.09 C ATOM 2532 CG LYS B 61 -18.862 7.357 -11.172 1.00 1.55 C ATOM 2533 CD LYS B 61 -20.370 7.495 -11.330 1.00 2.08 C ATOM 2534 CE LYS B 61 -20.865 6.772 -12.573 1.00 2.60 C ATOM 2535 NZ LYS B 61 -20.244 7.311 -13.814 1.00 3.16 N ATOM 0 H LYS B 61 -19.357 6.881 -8.977 1.00 0.97 H new ATOM 0 HA LYS B 61 -19.813 4.429 -10.387 1.00 1.02 H new ATOM 0 HB2 LYS B 61 -17.340 5.864 -11.058 1.00 1.09 H new ATOM 0 HB3 LYS B 61 -18.698 5.431 -12.078 1.00 1.09 H new ATOM 0 HG2 LYS B 61 -18.546 7.856 -10.256 1.00 1.55 H new ATOM 0 HG3 LYS B 61 -18.363 7.862 -11.999 1.00 1.55 H new ATOM 0 HD2 LYS B 61 -20.868 7.091 -10.449 1.00 2.08 H new ATOM 0 HD3 LYS B 61 -20.636 8.550 -11.391 1.00 2.08 H new ATOM 0 HE2 LYS B 61 -20.641 5.709 -12.488 1.00 2.60 H new ATOM 0 HE3 LYS B 61 -21.949 6.865 -12.640 1.00 2.60 H new ATOM 0 HZ1 LYS B 61 -20.693 6.875 -14.645 1.00 3.16 H new ATOM 0 HZ2 LYS B 61 -20.377 8.342 -13.849 1.00 3.16 H new ATOM 0 HZ3 LYS B 61 -19.227 7.093 -13.816 1.00 3.16 H new ATOM 2549 N THR B 62 -17.066 4.840 -8.610 1.00 0.99 N ATOM 2550 CA THR B 62 -15.952 4.144 -7.999 1.00 0.96 C ATOM 2551 C THR B 62 -16.408 2.887 -7.271 1.00 0.87 C ATOM 2552 O THR B 62 -15.609 1.984 -7.038 1.00 0.84 O ATOM 2553 CB THR B 62 -15.180 5.052 -7.034 1.00 1.03 C ATOM 2554 OG1 THR B 62 -14.744 6.228 -7.725 1.00 1.13 O ATOM 2555 CG2 THR B 62 -13.979 4.323 -6.450 1.00 1.05 C ATOM 0 H THR B 62 -17.121 5.833 -8.385 1.00 0.99 H new ATOM 0 HA THR B 62 -15.284 3.852 -8.809 1.00 0.96 H new ATOM 0 HB THR B 62 -15.843 5.333 -6.216 1.00 1.03 H new ATOM 0 HG1 THR B 62 -15.521 6.781 -7.952 1.00 1.13 H new ATOM 0 HG21 THR B 62 -13.447 4.987 -5.769 1.00 1.05 H new ATOM 0 HG22 THR B 62 -14.318 3.441 -5.907 1.00 1.05 H new ATOM 0 HG23 THR B 62 -13.311 4.019 -7.256 1.00 1.05 H new ATOM 2563 N LEU B 63 -17.688 2.820 -6.902 1.00 0.86 N ATOM 2564 CA LEU B 63 -18.206 1.630 -6.231 1.00 0.83 C ATOM 2565 C LEU B 63 -17.851 0.399 -7.047 1.00 0.80 C ATOM 2566 O LEU B 63 -17.022 -0.420 -6.650 1.00 0.89 O ATOM 2567 CB LEU B 63 -19.726 1.694 -6.067 1.00 0.95 C ATOM 2568 CG LEU B 63 -20.221 2.397 -4.808 1.00 0.92 C ATOM 2569 CD1 LEU B 63 -20.712 3.789 -5.146 1.00 1.05 C ATOM 2570 CD2 LEU B 63 -21.327 1.589 -4.145 1.00 1.41 C ATOM 0 H LEU B 63 -18.373 3.561 -7.053 1.00 0.86 H new ATOM 0 HA LEU B 63 -17.755 1.579 -5.240 1.00 0.83 H new ATOM 0 HB2 LEU B 63 -20.147 2.202 -6.935 1.00 0.95 H new ATOM 0 HB3 LEU B 63 -20.118 0.677 -6.072 1.00 0.95 H new ATOM 0 HG LEU B 63 -19.391 2.480 -4.107 1.00 0.92 H new ATOM 0 HD11 LEU B 63 -21.063 4.281 -4.239 1.00 1.05 H new ATOM 0 HD12 LEU B 63 -19.896 4.367 -5.580 1.00 1.05 H new ATOM 0 HD13 LEU B 63 -21.531 3.722 -5.863 1.00 1.05 H new ATOM 0 HD21 LEU B 63 -21.668 2.106 -3.248 1.00 1.41 H new ATOM 0 HD22 LEU B 63 -22.161 1.476 -4.838 1.00 1.41 H new ATOM 0 HD23 LEU B 63 -20.946 0.605 -3.873 1.00 1.41 H new ATOM 2582 N ASP B 64 -18.477 0.289 -8.209 1.00 0.78 N ATOM 2583 CA ASP B 64 -18.220 -0.828 -9.105 1.00 0.81 C ATOM 2584 C ASP B 64 -16.718 -0.967 -9.350 1.00 0.81 C ATOM 2585 O ASP B 64 -16.199 -2.076 -9.482 1.00 0.88 O ATOM 2586 CB ASP B 64 -18.959 -0.624 -10.424 1.00 0.91 C ATOM 2587 CG ASP B 64 -20.466 -0.648 -10.250 1.00 1.34 C ATOM 2588 OD1 ASP B 64 -21.046 -1.754 -10.245 1.00 2.05 O ATOM 2589 OD2 ASP B 64 -21.064 0.440 -10.118 1.00 1.96 O ATOM 0 H ASP B 64 -19.165 0.958 -8.553 1.00 0.78 H new ATOM 0 HA ASP B 64 -18.584 -1.745 -8.642 1.00 0.81 H new ATOM 0 HB2 ASP B 64 -18.661 0.329 -10.861 1.00 0.91 H new ATOM 0 HB3 ASP B 64 -18.664 -1.403 -11.127 1.00 0.91 H new ATOM 2594 N VAL B 65 -16.027 0.171 -9.407 1.00 0.81 N ATOM 2595 CA VAL B 65 -14.583 0.181 -9.608 1.00 0.87 C ATOM 2596 C VAL B 65 -13.894 -0.494 -8.429 1.00 0.77 C ATOM 2597 O VAL B 65 -13.387 -1.609 -8.550 1.00 0.83 O ATOM 2598 CB VAL B 65 -14.041 1.617 -9.763 1.00 0.95 C ATOM 2599 CG1 VAL B 65 -12.527 1.610 -9.915 1.00 1.06 C ATOM 2600 CG2 VAL B 65 -14.697 2.307 -10.949 1.00 1.07 C ATOM 0 H VAL B 65 -16.446 1.097 -9.317 1.00 0.81 H new ATOM 0 HA VAL B 65 -14.371 -0.364 -10.528 1.00 0.87 H new ATOM 0 HB VAL B 65 -14.287 2.175 -8.860 1.00 0.95 H new ATOM 0 HG11 VAL B 65 -12.167 2.633 -10.023 1.00 1.06 H new ATOM 0 HG12 VAL B 65 -12.075 1.158 -9.032 1.00 1.06 H new ATOM 0 HG13 VAL B 65 -12.253 1.034 -10.799 1.00 1.06 H new ATOM 0 HG21 VAL B 65 -14.304 3.319 -11.044 1.00 1.07 H new ATOM 0 HG22 VAL B 65 -14.483 1.747 -11.860 1.00 1.07 H new ATOM 0 HG23 VAL B 65 -15.775 2.350 -10.794 1.00 1.07 H new ATOM 2610 N ASN B 66 -13.882 0.187 -7.284 1.00 0.72 N ATOM 2611 CA ASN B 66 -13.289 -0.360 -6.065 1.00 0.67 C ATOM 2612 C ASN B 66 -14.260 -1.300 -5.366 1.00 0.56 C ATOM 2613 O ASN B 66 -14.501 -1.186 -4.164 1.00 0.57 O ATOM 2614 CB ASN B 66 -12.912 0.747 -5.101 1.00 0.81 C ATOM 2615 CG ASN B 66 -11.792 1.625 -5.623 1.00 0.82 C ATOM 2616 OD1 ASN B 66 -11.644 1.810 -6.831 1.00 1.52 O ATOM 2617 ND2 ASN B 66 -10.995 2.171 -4.713 1.00 1.10 N ATOM 0 H ASN B 66 -14.277 1.121 -7.175 1.00 0.72 H new ATOM 0 HA ASN B 66 -12.394 -0.908 -6.359 1.00 0.67 H new ATOM 0 HB2 ASN B 66 -13.789 1.364 -4.903 1.00 0.81 H new ATOM 0 HB3 ASN B 66 -12.610 0.307 -4.150 1.00 0.81 H new ATOM 0 HD21 ASN B 66 -10.223 2.771 -5.005 1.00 1.10 H new ATOM 0 HD22 ASN B 66 -11.154 1.991 -3.722 1.00 1.10 H new ATOM 2624 N GLN B 67 -14.809 -2.220 -6.124 1.00 0.63 N ATOM 2625 CA GLN B 67 -15.753 -3.183 -5.614 1.00 0.68 C ATOM 2626 C GLN B 67 -15.076 -4.076 -4.590 1.00 0.61 C ATOM 2627 O GLN B 67 -15.384 -4.025 -3.399 1.00 0.66 O ATOM 2628 CB GLN B 67 -16.281 -3.977 -6.805 1.00 0.90 C ATOM 2629 CG GLN B 67 -17.012 -5.266 -6.468 1.00 0.74 C ATOM 2630 CD GLN B 67 -16.120 -6.499 -6.358 1.00 1.20 C ATOM 2631 OE1 GLN B 67 -16.449 -7.429 -5.624 1.00 2.01 O ATOM 2632 NE2 GLN B 67 -15.004 -6.533 -7.095 1.00 1.44 N ATOM 0 H GLN B 67 -14.611 -2.321 -7.119 1.00 0.63 H new ATOM 0 HA GLN B 67 -16.586 -2.697 -5.106 1.00 0.68 H new ATOM 0 HB2 GLN B 67 -16.955 -3.337 -7.374 1.00 0.90 H new ATOM 0 HB3 GLN B 67 -15.442 -4.217 -7.458 1.00 0.90 H new ATOM 0 HG2 GLN B 67 -17.540 -5.131 -5.524 1.00 0.74 H new ATOM 0 HG3 GLN B 67 -17.768 -5.449 -7.232 1.00 0.74 H new ATOM 0 HE21 GLN B 67 -14.763 -5.742 -7.693 1.00 1.44 H new ATOM 0 HE22 GLN B 67 -14.394 -7.350 -7.059 1.00 1.44 H new ATOM 2641 N ASP B 68 -14.156 -4.892 -5.067 1.00 0.59 N ATOM 2642 CA ASP B 68 -13.407 -5.793 -4.210 1.00 0.62 C ATOM 2643 C ASP B 68 -12.172 -5.122 -3.641 1.00 0.59 C ATOM 2644 O ASP B 68 -11.190 -5.809 -3.361 1.00 0.65 O ATOM 2645 CB ASP B 68 -13.001 -7.056 -4.957 1.00 0.73 C ATOM 2646 CG ASP B 68 -14.046 -8.144 -4.830 1.00 0.97 C ATOM 2647 OD1 ASP B 68 -14.620 -8.289 -3.732 1.00 1.58 O ATOM 2648 OD2 ASP B 68 -14.290 -8.851 -5.829 1.00 1.50 O ATOM 0 H ASP B 68 -13.907 -4.950 -6.054 1.00 0.59 H new ATOM 0 HA ASP B 68 -14.067 -6.066 -3.386 1.00 0.62 H new ATOM 0 HB2 ASP B 68 -12.846 -6.822 -6.010 1.00 0.73 H new ATOM 0 HB3 ASP B 68 -12.050 -7.419 -4.568 1.00 0.73 H new ATOM 2653 N SER B 69 -12.201 -3.790 -3.458 1.00 0.56 N ATOM 2654 CA SER B 69 -11.039 -3.069 -2.915 1.00 0.58 C ATOM 2655 C SER B 69 -10.429 -3.867 -1.779 1.00 0.62 C ATOM 2656 O SER B 69 -9.226 -3.830 -1.538 1.00 0.74 O ATOM 2657 CB SER B 69 -11.434 -1.684 -2.411 1.00 0.66 C ATOM 2658 OG SER B 69 -12.674 -1.723 -1.725 1.00 1.74 O ATOM 0 H SER B 69 -13.004 -3.199 -3.675 1.00 0.56 H new ATOM 0 HA SER B 69 -10.310 -2.947 -3.716 1.00 0.58 H new ATOM 0 HB2 SER B 69 -10.659 -1.301 -1.746 1.00 0.66 H new ATOM 0 HB3 SER B 69 -11.502 -0.994 -3.252 1.00 0.66 H new ATOM 0 HG SER B 69 -13.403 -1.550 -2.357 1.00 1.74 H new ATOM 2664 N GLU B 70 -11.305 -4.577 -1.089 1.00 0.63 N ATOM 2665 CA GLU B 70 -10.913 -5.464 -0.020 1.00 0.76 C ATOM 2666 C GLU B 70 -11.559 -6.802 -0.243 1.00 0.77 C ATOM 2667 O GLU B 70 -12.601 -6.918 -0.887 1.00 0.81 O ATOM 2668 CB GLU B 70 -11.335 -4.950 1.343 1.00 0.84 C ATOM 2669 CG GLU B 70 -11.398 -6.045 2.423 1.00 1.33 C ATOM 2670 CD GLU B 70 -10.037 -6.574 2.819 1.00 2.19 C ATOM 2671 OE1 GLU B 70 -9.031 -5.910 2.509 1.00 2.73 O ATOM 2672 OE2 GLU B 70 -9.980 -7.648 3.450 1.00 2.87 O ATOM 0 H GLU B 70 -12.310 -4.551 -1.259 1.00 0.63 H new ATOM 0 HA GLU B 70 -9.825 -5.534 -0.031 1.00 0.76 H new ATOM 0 HB2 GLU B 70 -10.637 -4.176 1.662 1.00 0.84 H new ATOM 0 HB3 GLU B 70 -12.314 -4.479 1.257 1.00 0.84 H new ATOM 0 HG2 GLU B 70 -11.896 -5.646 3.307 1.00 1.33 H new ATOM 0 HG3 GLU B 70 -12.009 -6.871 2.058 1.00 1.33 H new ATOM 2679 N LEU B 71 -10.913 -7.809 0.270 1.00 0.79 N ATOM 2680 CA LEU B 71 -11.420 -9.129 0.163 1.00 0.83 C ATOM 2681 C LEU B 71 -11.023 -10.009 1.325 1.00 0.81 C ATOM 2682 O LEU B 71 -10.173 -9.664 2.143 1.00 0.86 O ATOM 2683 CB LEU B 71 -11.000 -9.751 -1.130 1.00 0.99 C ATOM 2684 CG LEU B 71 -9.533 -9.603 -1.428 1.00 0.78 C ATOM 2685 CD1 LEU B 71 -9.204 -8.127 -1.679 1.00 1.89 C ATOM 2686 CD2 LEU B 71 -8.721 -10.186 -0.296 1.00 1.25 C ATOM 0 H LEU B 71 -10.027 -7.730 0.769 1.00 0.79 H new ATOM 0 HA LEU B 71 -12.507 -9.047 0.187 1.00 0.83 H new ATOM 0 HB2 LEU B 71 -11.252 -10.811 -1.111 1.00 0.99 H new ATOM 0 HB3 LEU B 71 -11.573 -9.302 -1.941 1.00 0.99 H new ATOM 0 HG LEU B 71 -9.276 -10.155 -2.332 1.00 0.78 H new ATOM 0 HD11 LEU B 71 -8.141 -8.023 -1.895 1.00 1.89 H new ATOM 0 HD12 LEU B 71 -9.784 -7.764 -2.528 1.00 1.89 H new ATOM 0 HD13 LEU B 71 -9.454 -7.543 -0.793 1.00 1.89 H new ATOM 0 HD21 LEU B 71 -7.659 -10.077 -0.516 1.00 1.25 H new ATOM 0 HD22 LEU B 71 -8.956 -9.660 0.629 1.00 1.25 H new ATOM 0 HD23 LEU B 71 -8.961 -11.243 -0.183 1.00 1.25 H new ATOM 2698 N ARG B 72 -11.650 -11.151 1.362 1.00 0.77 N ATOM 2699 CA ARG B 72 -11.379 -12.165 2.342 1.00 0.80 C ATOM 2700 C ARG B 72 -10.633 -13.318 1.659 1.00 0.69 C ATOM 2701 O ARG B 72 -9.985 -14.124 2.319 1.00 0.76 O ATOM 2702 CB ARG B 72 -12.694 -12.676 2.927 1.00 0.91 C ATOM 2703 CG ARG B 72 -13.756 -11.602 3.083 1.00 1.00 C ATOM 2704 CD ARG B 72 -13.233 -10.404 3.848 1.00 1.06 C ATOM 2705 NE ARG B 72 -12.601 -10.790 5.106 1.00 1.30 N ATOM 2706 CZ ARG B 72 -11.772 -10.004 5.785 1.00 1.18 C ATOM 2707 NH1 ARG B 72 -11.472 -8.798 5.322 1.00 1.55 N ATOM 2708 NH2 ARG B 72 -11.243 -10.425 6.925 1.00 1.42 N ATOM 0 H ARG B 72 -12.380 -11.408 0.697 1.00 0.77 H new ATOM 0 HA ARG B 72 -10.770 -11.754 3.147 1.00 0.80 H new ATOM 0 HB2 ARG B 72 -13.083 -13.467 2.286 1.00 0.91 H new ATOM 0 HB3 ARG B 72 -12.497 -13.123 3.901 1.00 0.91 H new ATOM 0 HG2 ARG B 72 -14.099 -11.284 2.099 1.00 1.00 H new ATOM 0 HG3 ARG B 72 -14.620 -12.017 3.603 1.00 1.00 H new ATOM 0 HD2 ARG B 72 -12.513 -9.866 3.231 1.00 1.06 H new ATOM 0 HD3 ARG B 72 -14.055 -9.717 4.051 1.00 1.06 H new ATOM 0 HE ARG B 72 -12.807 -11.714 5.485 1.00 1.30 H new ATOM 0 HH11 ARG B 72 -11.878 -8.473 4.444 1.00 1.55 H new ATOM 0 HH12 ARG B 72 -10.836 -8.195 5.844 1.00 1.55 H new ATOM 0 HH21 ARG B 72 -11.472 -11.353 7.282 1.00 1.42 H new ATOM 0 HH22 ARG B 72 -10.607 -9.821 7.446 1.00 1.42 H new ATOM 2722 N PHE B 73 -10.702 -13.358 0.314 1.00 0.60 N ATOM 2723 CA PHE B 73 -10.081 -14.429 -0.460 1.00 0.57 C ATOM 2724 C PHE B 73 -8.821 -14.019 -1.252 1.00 0.52 C ATOM 2725 O PHE B 73 -7.796 -13.688 -0.667 1.00 0.63 O ATOM 2726 CB PHE B 73 -11.101 -15.106 -1.398 1.00 0.65 C ATOM 2727 CG PHE B 73 -12.110 -14.207 -2.085 1.00 0.59 C ATOM 2728 CD1 PHE B 73 -11.856 -12.865 -2.348 1.00 1.24 C ATOM 2729 CD2 PHE B 73 -13.326 -14.735 -2.496 1.00 1.36 C ATOM 2730 CE1 PHE B 73 -12.788 -12.082 -2.996 1.00 1.32 C ATOM 2731 CE2 PHE B 73 -14.262 -13.951 -3.141 1.00 1.44 C ATOM 2732 CZ PHE B 73 -13.993 -12.626 -3.392 1.00 0.87 C ATOM 0 H PHE B 73 -11.183 -12.658 -0.250 1.00 0.60 H new ATOM 0 HA PHE B 73 -9.737 -15.141 0.291 1.00 0.57 H new ATOM 0 HB2 PHE B 73 -10.548 -15.644 -2.168 1.00 0.65 H new ATOM 0 HB3 PHE B 73 -11.649 -15.851 -0.821 1.00 0.65 H new ATOM 0 HD1 PHE B 73 -10.916 -12.430 -2.041 1.00 1.24 H new ATOM 0 HD2 PHE B 73 -13.544 -15.776 -2.308 1.00 1.36 H new ATOM 0 HE1 PHE B 73 -12.575 -11.042 -3.194 1.00 1.32 H new ATOM 0 HE2 PHE B 73 -15.205 -14.378 -3.448 1.00 1.44 H new ATOM 0 HZ PHE B 73 -14.723 -12.012 -3.898 1.00 0.87 H new ATOM 2742 N SER B 74 -8.924 -13.988 -2.584 1.00 0.48 N ATOM 2743 CA SER B 74 -7.757 -13.739 -3.450 1.00 0.48 C ATOM 2744 C SER B 74 -7.856 -12.445 -4.214 1.00 0.42 C ATOM 2745 O SER B 74 -6.965 -12.099 -4.988 1.00 0.46 O ATOM 2746 CB SER B 74 -7.548 -14.881 -4.448 1.00 0.63 C ATOM 2747 OG SER B 74 -8.781 -15.462 -4.834 1.00 1.03 O ATOM 0 H SER B 74 -9.798 -14.131 -3.089 1.00 0.48 H new ATOM 0 HA SER B 74 -6.905 -13.673 -2.774 1.00 0.48 H new ATOM 0 HB2 SER B 74 -7.029 -14.505 -5.330 1.00 0.63 H new ATOM 0 HB3 SER B 74 -6.909 -15.643 -4.003 1.00 0.63 H new ATOM 0 HG SER B 74 -8.615 -16.187 -5.473 1.00 1.03 H new ATOM 2753 N GLU B 75 -8.933 -11.733 -4.004 1.00 0.43 N ATOM 2754 CA GLU B 75 -9.118 -10.455 -4.642 1.00 0.42 C ATOM 2755 C GLU B 75 -8.063 -9.462 -4.135 1.00 0.42 C ATOM 2756 O GLU B 75 -7.953 -8.368 -4.660 1.00 0.56 O ATOM 2757 CB GLU B 75 -10.514 -9.943 -4.282 1.00 0.44 C ATOM 2758 CG GLU B 75 -11.609 -10.252 -5.262 1.00 0.59 C ATOM 2759 CD GLU B 75 -11.458 -9.529 -6.584 1.00 0.93 C ATOM 2760 OE1 GLU B 75 -10.794 -8.473 -6.611 1.00 1.60 O ATOM 2761 OE2 GLU B 75 -12.004 -10.021 -7.594 1.00 1.41 O ATOM 0 H GLU B 75 -9.699 -12.018 -3.393 1.00 0.43 H new ATOM 0 HA GLU B 75 -9.014 -10.556 -5.722 1.00 0.42 H new ATOM 0 HB2 GLU B 75 -10.793 -10.361 -3.315 1.00 0.44 H new ATOM 0 HB3 GLU B 75 -10.460 -8.861 -4.159 1.00 0.44 H new ATOM 0 HG2 GLU B 75 -11.630 -11.326 -5.445 1.00 0.59 H new ATOM 0 HG3 GLU B 75 -12.568 -9.986 -4.819 1.00 0.59 H new ATOM 2768 N TYR B 76 -7.299 -9.861 -3.087 1.00 0.38 N ATOM 2769 CA TYR B 76 -6.311 -8.993 -2.436 1.00 0.38 C ATOM 2770 C TYR B 76 -5.596 -8.065 -3.403 1.00 0.39 C ATOM 2771 O TYR B 76 -5.222 -6.954 -3.040 1.00 0.42 O ATOM 2772 CB TYR B 76 -5.298 -9.803 -1.625 1.00 0.40 C ATOM 2773 CG TYR B 76 -5.568 -9.862 -0.133 1.00 0.41 C ATOM 2774 CD1 TYR B 76 -6.309 -8.883 0.515 1.00 1.29 C ATOM 2775 CD2 TYR B 76 -5.120 -10.937 0.618 1.00 1.22 C ATOM 2776 CE1 TYR B 76 -6.597 -8.966 1.850 1.00 1.29 C ATOM 2777 CE2 TYR B 76 -5.397 -11.028 1.967 1.00 1.26 C ATOM 2778 CZ TYR B 76 -6.141 -10.041 2.581 1.00 0.48 C ATOM 2779 OH TYR B 76 -6.429 -10.130 3.924 1.00 0.54 O ATOM 0 H TYR B 76 -7.358 -10.793 -2.677 1.00 0.38 H new ATOM 0 HA TYR B 76 -6.880 -8.361 -1.755 1.00 0.38 H new ATOM 0 HB2 TYR B 76 -5.274 -10.821 -2.015 1.00 0.40 H new ATOM 0 HB3 TYR B 76 -4.307 -9.378 -1.783 1.00 0.40 H new ATOM 0 HD1 TYR B 76 -6.667 -8.034 -0.049 1.00 1.29 H new ATOM 0 HD2 TYR B 76 -4.545 -11.716 0.140 1.00 1.22 H new ATOM 0 HE1 TYR B 76 -7.179 -8.192 2.329 1.00 1.29 H new ATOM 0 HE2 TYR B 76 -5.033 -11.868 2.540 1.00 1.26 H new ATOM 0 HH TYR B 76 -6.034 -10.949 4.290 1.00 0.54 H new ATOM 2789 N TRP B 77 -5.424 -8.499 -4.632 1.00 0.40 N ATOM 2790 CA TRP B 77 -4.798 -7.655 -5.648 1.00 0.43 C ATOM 2791 C TRP B 77 -5.531 -6.321 -5.730 1.00 0.45 C ATOM 2792 O TRP B 77 -5.039 -5.366 -6.312 1.00 0.50 O ATOM 2793 CB TRP B 77 -4.856 -8.346 -7.000 1.00 0.45 C ATOM 2794 CG TRP B 77 -6.262 -8.571 -7.448 1.00 0.45 C ATOM 2795 CD1 TRP B 77 -7.196 -7.614 -7.727 1.00 0.50 C ATOM 2796 CD2 TRP B 77 -6.907 -9.831 -7.634 1.00 0.46 C ATOM 2797 NE1 TRP B 77 -8.370 -8.204 -8.104 1.00 0.53 N ATOM 2798 CE2 TRP B 77 -8.221 -9.567 -8.054 1.00 0.51 C ATOM 2799 CE3 TRP B 77 -6.496 -11.156 -7.496 1.00 0.47 C ATOM 2800 CZ2 TRP B 77 -9.130 -10.586 -8.337 1.00 0.56 C ATOM 2801 CZ3 TRP B 77 -7.394 -12.165 -7.772 1.00 0.53 C ATOM 2802 CH2 TRP B 77 -8.699 -11.877 -8.189 1.00 0.56 C ATOM 0 H TRP B 77 -5.704 -9.424 -4.959 1.00 0.40 H new ATOM 0 HA TRP B 77 -3.757 -7.482 -5.375 1.00 0.43 H new ATOM 0 HB2 TRP B 77 -4.331 -7.742 -7.740 1.00 0.45 H new ATOM 0 HB3 TRP B 77 -4.336 -9.302 -6.942 1.00 0.45 H new ATOM 0 HD1 TRP B 77 -7.031 -6.549 -7.660 1.00 0.50 H new ATOM 0 HE1 TRP B 77 -9.220 -7.711 -8.378 1.00 0.53 H new ATOM 0 HE3 TRP B 77 -5.490 -11.388 -7.178 1.00 0.47 H new ATOM 0 HZ2 TRP B 77 -10.136 -10.365 -8.661 1.00 0.56 H new ATOM 0 HZ3 TRP B 77 -7.086 -13.194 -7.665 1.00 0.53 H new ATOM 0 HH2 TRP B 77 -9.379 -12.689 -8.398 1.00 0.56 H new ATOM 2813 N ARG B 78 -6.746 -6.286 -5.199 1.00 0.43 N ATOM 2814 CA ARG B 78 -7.519 -5.085 -5.171 1.00 0.47 C ATOM 2815 C ARG B 78 -6.848 -4.093 -4.235 1.00 0.49 C ATOM 2816 O ARG B 78 -6.684 -2.924 -4.579 1.00 0.62 O ATOM 2817 CB ARG B 78 -8.955 -5.393 -4.740 1.00 0.50 C ATOM 2818 CG ARG B 78 -9.834 -5.878 -5.877 1.00 0.61 C ATOM 2819 CD ARG B 78 -9.895 -4.863 -7.006 1.00 0.77 C ATOM 2820 NE ARG B 78 -10.086 -3.502 -6.516 1.00 1.49 N ATOM 2821 CZ ARG B 78 -9.818 -2.417 -7.236 1.00 1.76 C ATOM 2822 NH1 ARG B 78 -9.338 -2.539 -8.467 1.00 1.37 N ATOM 2823 NH2 ARG B 78 -10.027 -1.211 -6.727 1.00 2.83 N ATOM 0 H ARG B 78 -7.208 -7.094 -4.781 1.00 0.43 H new ATOM 0 HA ARG B 78 -7.569 -4.644 -6.166 1.00 0.47 H new ATOM 0 HB2 ARG B 78 -8.937 -6.150 -3.956 1.00 0.50 H new ATOM 0 HB3 ARG B 78 -9.397 -4.496 -4.306 1.00 0.50 H new ATOM 0 HG2 ARG B 78 -9.449 -6.824 -6.257 1.00 0.61 H new ATOM 0 HG3 ARG B 78 -10.840 -6.070 -5.504 1.00 0.61 H new ATOM 0 HD2 ARG B 78 -8.974 -4.912 -7.586 1.00 0.77 H new ATOM 0 HD3 ARG B 78 -10.711 -5.122 -7.681 1.00 0.77 H new ATOM 0 HE ARG B 78 -10.445 -3.376 -5.569 1.00 1.49 H new ATOM 0 HH11 ARG B 78 -9.175 -3.465 -8.861 1.00 1.37 H new ATOM 0 HH12 ARG B 78 -9.133 -1.706 -9.019 1.00 1.37 H new ATOM 0 HH21 ARG B 78 -10.394 -1.114 -5.780 1.00 2.83 H new ATOM 0 HH22 ARG B 78 -9.820 -0.380 -7.282 1.00 2.83 H new ATOM 2837 N LEU B 79 -6.425 -4.578 -3.060 1.00 0.42 N ATOM 2838 CA LEU B 79 -5.738 -3.729 -2.092 1.00 0.45 C ATOM 2839 C LEU B 79 -4.559 -3.060 -2.754 1.00 0.46 C ATOM 2840 O LEU B 79 -4.174 -1.947 -2.399 1.00 0.53 O ATOM 2841 CB LEU B 79 -5.187 -4.533 -0.918 1.00 0.53 C ATOM 2842 CG LEU B 79 -6.038 -5.673 -0.391 1.00 0.62 C ATOM 2843 CD1 LEU B 79 -5.401 -6.206 0.884 1.00 1.23 C ATOM 2844 CD2 LEU B 79 -7.453 -5.208 -0.138 1.00 0.88 C ATOM 0 H LEU B 79 -6.547 -5.546 -2.763 1.00 0.42 H new ATOM 0 HA LEU B 79 -6.469 -3.006 -1.730 1.00 0.45 H new ATOM 0 HB2 LEU B 79 -4.221 -4.943 -1.214 1.00 0.53 H new ATOM 0 HB3 LEU B 79 -5.001 -3.843 -0.095 1.00 0.53 H new ATOM 0 HG LEU B 79 -6.086 -6.471 -1.132 1.00 0.62 H new ATOM 0 HD11 LEU B 79 -6.002 -7.027 1.275 1.00 1.23 H new ATOM 0 HD12 LEU B 79 -4.395 -6.565 0.666 1.00 1.23 H new ATOM 0 HD13 LEU B 79 -5.349 -5.409 1.626 1.00 1.23 H new ATOM 0 HD21 LEU B 79 -8.047 -6.040 0.240 1.00 0.88 H new ATOM 0 HD22 LEU B 79 -7.446 -4.404 0.598 1.00 0.88 H new ATOM 0 HD23 LEU B 79 -7.888 -4.844 -1.069 1.00 0.88 H new ATOM 2856 N ILE B 80 -3.989 -3.759 -3.722 1.00 0.44 N ATOM 2857 CA ILE B 80 -2.838 -3.272 -4.452 1.00 0.48 C ATOM 2858 C ILE B 80 -2.991 -1.775 -4.788 1.00 0.48 C ATOM 2859 O ILE B 80 -2.104 -0.971 -4.500 1.00 0.51 O ATOM 2860 CB ILE B 80 -2.605 -4.158 -5.713 1.00 0.52 C ATOM 2861 CG1 ILE B 80 -1.109 -4.403 -5.904 1.00 0.59 C ATOM 2862 CG2 ILE B 80 -3.204 -3.549 -6.980 1.00 0.55 C ATOM 2863 CD1 ILE B 80 -0.789 -5.316 -7.066 1.00 1.16 C ATOM 0 H ILE B 80 -4.313 -4.679 -4.021 1.00 0.44 H new ATOM 0 HA ILE B 80 -1.948 -3.351 -3.828 1.00 0.48 H new ATOM 0 HB ILE B 80 -3.118 -5.104 -5.543 1.00 0.52 H new ATOM 0 HG12 ILE B 80 -0.609 -3.446 -6.056 1.00 0.59 H new ATOM 0 HG13 ILE B 80 -0.700 -4.835 -4.990 1.00 0.59 H new ATOM 0 HG21 ILE B 80 -3.012 -4.208 -7.827 1.00 0.55 H new ATOM 0 HG22 ILE B 80 -4.280 -3.427 -6.852 1.00 0.55 H new ATOM 0 HG23 ILE B 80 -2.749 -2.576 -7.167 1.00 0.55 H new ATOM 0 HD11 ILE B 80 0.291 -5.445 -7.141 1.00 1.16 H new ATOM 0 HD12 ILE B 80 -1.260 -6.286 -6.907 1.00 1.16 H new ATOM 0 HD13 ILE B 80 -1.167 -4.876 -7.989 1.00 1.16 H new ATOM 2875 N GLY B 81 -4.123 -1.417 -5.392 1.00 0.47 N ATOM 2876 CA GLY B 81 -4.389 -0.026 -5.725 1.00 0.49 C ATOM 2877 C GLY B 81 -4.962 0.767 -4.553 1.00 0.43 C ATOM 2878 O GLY B 81 -5.067 1.991 -4.620 1.00 0.43 O ATOM 0 H GLY B 81 -4.863 -2.067 -5.657 1.00 0.47 H new ATOM 0 HA2 GLY B 81 -3.465 0.445 -6.059 1.00 0.49 H new ATOM 0 HA3 GLY B 81 -5.087 0.015 -6.561 1.00 0.49 H new ATOM 2882 N GLU B 82 -5.335 0.064 -3.480 1.00 0.42 N ATOM 2883 CA GLU B 82 -5.919 0.690 -2.297 1.00 0.39 C ATOM 2884 C GLU B 82 -4.859 1.293 -1.405 1.00 0.33 C ATOM 2885 O GLU B 82 -4.877 2.490 -1.124 1.00 0.34 O ATOM 2886 CB GLU B 82 -6.679 -0.332 -1.489 1.00 0.44 C ATOM 2887 CG GLU B 82 -7.782 -1.040 -2.256 1.00 0.46 C ATOM 2888 CD GLU B 82 -8.653 -0.079 -3.041 1.00 0.72 C ATOM 2889 OE1 GLU B 82 -9.627 0.446 -2.462 1.00 1.48 O ATOM 2890 OE2 GLU B 82 -8.361 0.149 -4.234 1.00 1.39 O ATOM 0 H GLU B 82 -5.240 -0.949 -3.410 1.00 0.42 H new ATOM 0 HA GLU B 82 -6.585 1.478 -2.649 1.00 0.39 H new ATOM 0 HB2 GLU B 82 -5.977 -1.077 -1.114 1.00 0.44 H new ATOM 0 HB3 GLU B 82 -7.115 0.160 -0.620 1.00 0.44 H new ATOM 0 HG2 GLU B 82 -7.338 -1.764 -2.939 1.00 0.46 H new ATOM 0 HG3 GLU B 82 -8.403 -1.601 -1.558 1.00 0.46 H new ATOM 2897 N LEU B 83 -3.944 0.451 -0.932 1.00 0.34 N ATOM 2898 CA LEU B 83 -2.872 0.920 -0.070 1.00 0.35 C ATOM 2899 C LEU B 83 -2.166 2.073 -0.745 1.00 0.34 C ATOM 2900 O LEU B 83 -1.557 2.919 -0.090 1.00 0.41 O ATOM 2901 CB LEU B 83 -1.877 -0.199 0.242 1.00 0.43 C ATOM 2902 CG LEU B 83 -2.379 -1.271 1.211 1.00 0.50 C ATOM 2903 CD1 LEU B 83 -3.503 -2.077 0.583 1.00 1.27 C ATOM 2904 CD2 LEU B 83 -1.236 -2.184 1.631 1.00 1.31 C ATOM 0 H LEU B 83 -3.926 -0.549 -1.131 1.00 0.34 H new ATOM 0 HA LEU B 83 -3.302 1.250 0.876 1.00 0.35 H new ATOM 0 HB2 LEU B 83 -1.594 -0.682 -0.693 1.00 0.43 H new ATOM 0 HB3 LEU B 83 -0.973 0.247 0.656 1.00 0.43 H new ATOM 0 HG LEU B 83 -2.770 -0.776 2.100 1.00 0.50 H new ATOM 0 HD11 LEU B 83 -3.846 -2.834 1.288 1.00 1.27 H new ATOM 0 HD12 LEU B 83 -4.330 -1.413 0.332 1.00 1.27 H new ATOM 0 HD13 LEU B 83 -3.140 -2.563 -0.323 1.00 1.27 H new ATOM 0 HD21 LEU B 83 -1.610 -2.941 2.320 1.00 1.31 H new ATOM 0 HD22 LEU B 83 -0.816 -2.670 0.750 1.00 1.31 H new ATOM 0 HD23 LEU B 83 -0.462 -1.595 2.124 1.00 1.31 H new ATOM 2916 N ALA B 84 -2.255 2.098 -2.069 1.00 0.34 N ATOM 2917 CA ALA B 84 -1.651 3.171 -2.823 1.00 0.37 C ATOM 2918 C ALA B 84 -2.514 4.414 -2.740 1.00 0.41 C ATOM 2919 O ALA B 84 -2.014 5.538 -2.799 1.00 0.47 O ATOM 2920 CB ALA B 84 -1.444 2.769 -4.263 1.00 0.41 C ATOM 0 H ALA B 84 -2.735 1.394 -2.630 1.00 0.34 H new ATOM 0 HA ALA B 84 -0.675 3.388 -2.390 1.00 0.37 H new ATOM 0 HB1 ALA B 84 -0.988 3.595 -4.809 1.00 0.41 H new ATOM 0 HB2 ALA B 84 -0.789 1.899 -4.307 1.00 0.41 H new ATOM 0 HB3 ALA B 84 -2.405 2.523 -4.714 1.00 0.41 H new ATOM 2926 N LYS B 85 -3.824 4.205 -2.599 1.00 0.42 N ATOM 2927 CA LYS B 85 -4.773 5.306 -2.458 1.00 0.51 C ATOM 2928 C LYS B 85 -4.242 6.324 -1.489 1.00 0.50 C ATOM 2929 O LYS B 85 -4.567 7.483 -1.577 1.00 0.67 O ATOM 2930 CB LYS B 85 -6.126 4.794 -1.982 1.00 0.62 C ATOM 2931 CG LYS B 85 -7.287 5.599 -2.531 1.00 1.19 C ATOM 2932 CD LYS B 85 -7.441 5.389 -4.028 1.00 1.44 C ATOM 2933 CE LYS B 85 -7.942 3.989 -4.333 1.00 1.56 C ATOM 2934 NZ LYS B 85 -7.970 3.711 -5.796 1.00 2.69 N ATOM 0 H LYS B 85 -4.251 3.279 -2.580 1.00 0.42 H new ATOM 0 HA LYS B 85 -4.903 5.774 -3.434 1.00 0.51 H new ATOM 0 HB2 LYS B 85 -6.240 3.752 -2.280 1.00 0.62 H new ATOM 0 HB3 LYS B 85 -6.156 4.819 -0.893 1.00 0.62 H new ATOM 0 HG2 LYS B 85 -8.207 5.308 -2.024 1.00 1.19 H new ATOM 0 HG3 LYS B 85 -7.130 6.657 -2.324 1.00 1.19 H new ATOM 0 HD2 LYS B 85 -8.137 6.124 -4.432 1.00 1.44 H new ATOM 0 HD3 LYS B 85 -6.483 5.552 -4.522 1.00 1.44 H new ATOM 0 HE2 LYS B 85 -7.301 3.259 -3.838 1.00 1.56 H new ATOM 0 HE3 LYS B 85 -8.944 3.865 -3.922 1.00 1.56 H new ATOM 0 HZ1 LYS B 85 -8.318 2.745 -5.959 1.00 2.69 H new ATOM 0 HZ2 LYS B 85 -8.601 4.391 -6.266 1.00 2.69 H new ATOM 0 HZ3 LYS B 85 -7.010 3.803 -6.185 1.00 2.69 H new ATOM 2948 N GLU B 86 -3.426 5.870 -0.566 1.00 0.44 N ATOM 2949 CA GLU B 86 -2.818 6.750 0.407 1.00 0.45 C ATOM 2950 C GLU B 86 -1.607 7.447 -0.188 1.00 0.44 C ATOM 2951 O GLU B 86 -1.482 8.669 -0.136 1.00 0.48 O ATOM 2952 CB GLU B 86 -2.409 5.942 1.626 1.00 0.48 C ATOM 2953 CG GLU B 86 -3.477 4.966 2.053 1.00 0.98 C ATOM 2954 CD GLU B 86 -4.844 5.614 2.166 1.00 2.07 C ATOM 2955 OE1 GLU B 86 -4.950 6.661 2.832 1.00 2.90 O ATOM 2956 OE2 GLU B 86 -5.807 5.073 1.582 1.00 2.60 O ATOM 0 H GLU B 86 -3.166 4.889 -0.468 1.00 0.44 H new ATOM 0 HA GLU B 86 -3.540 7.512 0.700 1.00 0.45 H new ATOM 0 HB2 GLU B 86 -1.490 5.398 1.407 1.00 0.48 H new ATOM 0 HB3 GLU B 86 -2.189 6.620 2.451 1.00 0.48 H new ATOM 0 HG2 GLU B 86 -3.525 4.147 1.335 1.00 0.98 H new ATOM 0 HG3 GLU B 86 -3.204 4.531 3.014 1.00 0.98 H new ATOM 2963 N VAL B 87 -0.728 6.650 -0.773 1.00 0.44 N ATOM 2964 CA VAL B 87 0.497 7.152 -1.369 1.00 0.46 C ATOM 2965 C VAL B 87 0.240 7.968 -2.639 1.00 0.46 C ATOM 2966 O VAL B 87 1.080 8.770 -3.048 1.00 0.54 O ATOM 2967 CB VAL B 87 1.458 5.986 -1.680 1.00 0.55 C ATOM 2968 CG1 VAL B 87 2.682 6.476 -2.431 1.00 1.01 C ATOM 2969 CG2 VAL B 87 1.867 5.287 -0.393 1.00 0.81 C ATOM 0 H VAL B 87 -0.844 5.639 -0.848 1.00 0.44 H new ATOM 0 HA VAL B 87 0.954 7.821 -0.639 1.00 0.46 H new ATOM 0 HB VAL B 87 0.936 5.272 -2.318 1.00 0.55 H new ATOM 0 HG11 VAL B 87 3.343 5.634 -2.638 1.00 1.01 H new ATOM 0 HG12 VAL B 87 2.373 6.934 -3.371 1.00 1.01 H new ATOM 0 HG13 VAL B 87 3.210 7.212 -1.825 1.00 1.01 H new ATOM 0 HG21 VAL B 87 2.545 4.466 -0.625 1.00 0.81 H new ATOM 0 HG22 VAL B 87 2.369 5.998 0.264 1.00 0.81 H new ATOM 0 HG23 VAL B 87 0.981 4.896 0.106 1.00 0.81 H new ATOM 2979 N ARG B 88 -0.912 7.765 -3.254 1.00 0.49 N ATOM 2980 CA ARG B 88 -1.252 8.466 -4.489 1.00 0.51 C ATOM 2981 C ARG B 88 -1.169 9.988 -4.347 1.00 0.50 C ATOM 2982 O ARG B 88 -0.244 10.607 -4.866 1.00 0.58 O ATOM 2983 CB ARG B 88 -2.646 8.045 -4.959 1.00 0.56 C ATOM 2984 CG ARG B 88 -2.847 8.170 -6.461 1.00 0.67 C ATOM 2985 CD ARG B 88 -2.680 9.605 -6.935 1.00 1.33 C ATOM 2986 NE ARG B 88 -3.620 10.511 -6.282 1.00 1.83 N ATOM 2987 CZ ARG B 88 -3.688 11.812 -6.542 1.00 2.72 C ATOM 2988 NH1 ARG B 88 -2.873 12.356 -7.436 1.00 3.25 N ATOM 2989 NH2 ARG B 88 -4.571 12.571 -5.909 1.00 3.50 N ATOM 0 H ARG B 88 -1.630 7.122 -2.922 1.00 0.49 H new ATOM 0 HA ARG B 88 -0.512 8.183 -5.238 1.00 0.51 H new ATOM 0 HB2 ARG B 88 -2.823 7.011 -4.662 1.00 0.56 H new ATOM 0 HB3 ARG B 88 -3.392 8.655 -4.449 1.00 0.56 H new ATOM 0 HG2 ARG B 88 -2.131 7.531 -6.978 1.00 0.67 H new ATOM 0 HG3 ARG B 88 -3.842 7.813 -6.726 1.00 0.67 H new ATOM 0 HD2 ARG B 88 -1.661 9.936 -6.736 1.00 1.33 H new ATOM 0 HD3 ARG B 88 -2.825 9.649 -8.014 1.00 1.33 H new ATOM 0 HE ARG B 88 -4.260 10.124 -5.588 1.00 1.83 H new ATOM 0 HH11 ARG B 88 -2.192 11.775 -7.926 1.00 3.25 H new ATOM 0 HH12 ARG B 88 -2.927 13.355 -7.634 1.00 3.25 H new ATOM 0 HH21 ARG B 88 -5.200 12.156 -5.221 1.00 3.50 H new ATOM 0 HH22 ARG B 88 -4.622 13.570 -6.110 1.00 3.50 H new ATOM 3003 N LYS B 89 -2.127 10.586 -3.649 1.00 0.47 N ATOM 3004 CA LYS B 89 -2.146 12.042 -3.482 1.00 0.49 C ATOM 3005 C LYS B 89 -1.022 12.500 -2.580 1.00 0.48 C ATOM 3006 O LYS B 89 -0.481 13.593 -2.741 1.00 0.53 O ATOM 3007 CB LYS B 89 -3.482 12.525 -2.917 1.00 0.56 C ATOM 3008 CG LYS B 89 -3.685 12.262 -1.424 1.00 0.69 C ATOM 3009 CD LYS B 89 -4.927 11.440 -1.197 1.00 1.55 C ATOM 3010 CE LYS B 89 -4.711 10.013 -1.600 1.00 2.46 C ATOM 3011 NZ LYS B 89 -5.251 9.708 -2.955 1.00 3.29 N ATOM 0 H LYS B 89 -2.895 10.095 -3.192 1.00 0.47 H new ATOM 0 HA LYS B 89 -2.009 12.477 -4.472 1.00 0.49 H new ATOM 0 HB2 LYS B 89 -3.569 13.596 -3.097 1.00 0.56 H new ATOM 0 HB3 LYS B 89 -4.289 12.042 -3.469 1.00 0.56 H new ATOM 0 HG2 LYS B 89 -2.818 11.740 -1.019 1.00 0.69 H new ATOM 0 HG3 LYS B 89 -3.766 13.209 -0.890 1.00 0.69 H new ATOM 0 HD2 LYS B 89 -5.209 11.485 -0.145 1.00 1.55 H new ATOM 0 HD3 LYS B 89 -5.755 11.861 -1.768 1.00 1.55 H new ATOM 0 HE2 LYS B 89 -3.644 9.792 -1.581 1.00 2.46 H new ATOM 0 HE3 LYS B 89 -5.185 9.358 -0.869 1.00 2.46 H new ATOM 0 HZ1 LYS B 89 -5.182 8.686 -3.134 1.00 3.29 H new ATOM 0 HZ2 LYS B 89 -6.247 10.002 -3.006 1.00 3.29 H new ATOM 0 HZ3 LYS B 89 -4.701 10.223 -3.672 1.00 3.29 H new ATOM 3025 N GLU B 90 -0.680 11.657 -1.627 1.00 0.47 N ATOM 3026 CA GLU B 90 0.383 11.965 -0.701 1.00 0.52 C ATOM 3027 C GLU B 90 1.728 12.014 -1.419 1.00 0.56 C ATOM 3028 O GLU B 90 2.724 12.461 -0.853 1.00 0.62 O ATOM 3029 CB GLU B 90 0.388 10.938 0.422 1.00 0.56 C ATOM 3030 CG GLU B 90 -0.725 11.164 1.427 1.00 0.62 C ATOM 3031 CD GLU B 90 -0.604 12.500 2.134 1.00 1.24 C ATOM 3032 OE1 GLU B 90 -1.088 13.511 1.581 1.00 1.93 O ATOM 3033 OE2 GLU B 90 -0.023 12.537 3.239 1.00 1.93 O ATOM 0 H GLU B 90 -1.126 10.752 -1.476 1.00 0.47 H new ATOM 0 HA GLU B 90 0.212 12.951 -0.270 1.00 0.52 H new ATOM 0 HB2 GLU B 90 0.290 9.939 -0.004 1.00 0.56 H new ATOM 0 HB3 GLU B 90 1.349 10.972 0.936 1.00 0.56 H new ATOM 0 HG2 GLU B 90 -1.687 11.112 0.917 1.00 0.62 H new ATOM 0 HG3 GLU B 90 -0.712 10.363 2.166 1.00 0.62 H new ATOM 3040 N LYS B 91 1.754 11.555 -2.674 1.00 0.54 N ATOM 3041 CA LYS B 91 2.975 11.575 -3.460 1.00 0.61 C ATOM 3042 C LYS B 91 3.488 13.001 -3.598 1.00 0.63 C ATOM 3043 O LYS B 91 4.661 13.280 -3.351 1.00 0.70 O ATOM 3044 CB LYS B 91 2.741 10.950 -4.842 1.00 0.62 C ATOM 3045 CG LYS B 91 2.047 11.869 -5.838 1.00 0.61 C ATOM 3046 CD LYS B 91 1.765 11.156 -7.150 1.00 0.67 C ATOM 3047 CE LYS B 91 1.139 12.092 -8.171 1.00 0.70 C ATOM 3048 NZ LYS B 91 2.013 13.263 -8.458 1.00 1.38 N ATOM 0 H LYS B 91 0.944 11.168 -3.159 1.00 0.54 H new ATOM 0 HA LYS B 91 3.729 10.982 -2.943 1.00 0.61 H new ATOM 0 HB2 LYS B 91 3.702 10.644 -5.256 1.00 0.62 H new ATOM 0 HB3 LYS B 91 2.143 10.046 -4.722 1.00 0.62 H new ATOM 0 HG2 LYS B 91 1.112 12.230 -5.411 1.00 0.61 H new ATOM 0 HG3 LYS B 91 2.671 12.743 -6.024 1.00 0.61 H new ATOM 0 HD2 LYS B 91 2.693 10.748 -7.550 1.00 0.67 H new ATOM 0 HD3 LYS B 91 1.098 10.313 -6.971 1.00 0.67 H new ATOM 0 HE2 LYS B 91 0.948 11.546 -9.095 1.00 0.70 H new ATOM 0 HE3 LYS B 91 0.175 12.440 -7.801 1.00 0.70 H new ATOM 0 HZ1 LYS B 91 1.696 13.726 -9.334 1.00 1.38 H new ATOM 0 HZ2 LYS B 91 1.958 13.939 -7.669 1.00 1.38 H new ATOM 0 HZ3 LYS B 91 2.996 12.943 -8.572 1.00 1.38 H new ATOM 3062 N ALA B 92 2.595 13.896 -3.991 1.00 0.60 N ATOM 3063 CA ALA B 92 2.947 15.301 -4.164 1.00 0.65 C ATOM 3064 C ALA B 92 2.959 16.046 -2.837 1.00 0.63 C ATOM 3065 O ALA B 92 3.523 17.130 -2.739 1.00 0.69 O ATOM 3066 CB ALA B 92 1.996 15.967 -5.145 1.00 0.73 C ATOM 0 H ALA B 92 1.620 13.677 -4.197 1.00 0.60 H new ATOM 0 HA ALA B 92 3.958 15.343 -4.570 1.00 0.65 H new ATOM 0 HB1 ALA B 92 2.271 17.015 -5.264 1.00 0.73 H new ATOM 0 HB2 ALA B 92 2.058 15.464 -6.110 1.00 0.73 H new ATOM 0 HB3 ALA B 92 0.976 15.900 -4.766 1.00 0.73 H new ATOM 3072 N LEU B 93 2.297 15.493 -1.831 1.00 0.62 N ATOM 3073 CA LEU B 93 2.274 16.120 -0.516 1.00 0.65 C ATOM 3074 C LEU B 93 3.517 15.758 0.290 1.00 0.59 C ATOM 3075 O LEU B 93 3.977 16.533 1.127 1.00 0.63 O ATOM 3076 CB LEU B 93 1.026 15.718 0.259 1.00 0.74 C ATOM 3077 CG LEU B 93 0.959 16.292 1.671 1.00 0.81 C ATOM 3078 CD1 LEU B 93 -0.475 16.633 2.044 1.00 1.03 C ATOM 3079 CD2 LEU B 93 1.553 15.314 2.673 1.00 0.95 C ATOM 0 H LEU B 93 1.773 14.620 -1.897 1.00 0.62 H new ATOM 0 HA LEU B 93 2.261 17.199 -0.672 1.00 0.65 H new ATOM 0 HB2 LEU B 93 0.146 16.043 -0.296 1.00 0.74 H new ATOM 0 HB3 LEU B 93 0.982 14.630 0.318 1.00 0.74 H new ATOM 0 HG LEU B 93 1.546 17.210 1.696 1.00 0.81 H new ATOM 0 HD11 LEU B 93 -0.501 17.041 3.055 1.00 1.03 H new ATOM 0 HD12 LEU B 93 -0.867 17.371 1.345 1.00 1.03 H new ATOM 0 HD13 LEU B 93 -1.086 15.732 2.001 1.00 1.03 H new ATOM 0 HD21 LEU B 93 1.497 15.740 3.675 1.00 0.95 H new ATOM 0 HD22 LEU B 93 0.993 14.379 2.644 1.00 0.95 H new ATOM 0 HD23 LEU B 93 2.595 15.121 2.419 1.00 0.95 H new ATOM 3091 N GLY B 94 4.047 14.566 0.037 1.00 0.53 N ATOM 3092 CA GLY B 94 5.223 14.099 0.750 1.00 0.51 C ATOM 3093 C GLY B 94 6.316 15.139 0.854 1.00 0.52 C ATOM 3094 O GLY B 94 7.099 15.126 1.803 1.00 0.57 O ATOM 0 H GLY B 94 3.681 13.911 -0.654 1.00 0.53 H new ATOM 0 HA2 GLY B 94 4.931 13.788 1.753 1.00 0.51 H new ATOM 0 HA3 GLY B 94 5.618 13.217 0.246 1.00 0.51 H new ATOM 3098 N ILE B 95 6.382 16.027 -0.128 1.00 0.53 N ATOM 3099 CA ILE B 95 7.404 17.068 -0.145 1.00 0.57 C ATOM 3100 C ILE B 95 7.255 18.062 0.994 1.00 0.60 C ATOM 3101 O ILE B 95 7.028 19.250 0.769 1.00 0.67 O ATOM 3102 CB ILE B 95 7.428 17.836 -1.475 1.00 0.63 C ATOM 3103 CG1 ILE B 95 6.015 18.102 -1.988 1.00 1.32 C ATOM 3104 CG2 ILE B 95 8.216 17.053 -2.487 1.00 1.13 C ATOM 3105 CD1 ILE B 95 5.071 18.637 -0.933 1.00 1.68 C ATOM 0 H ILE B 95 5.742 16.049 -0.922 1.00 0.53 H new ATOM 0 HA ILE B 95 8.347 16.537 -0.019 1.00 0.57 H new ATOM 0 HB ILE B 95 7.904 18.803 -1.311 1.00 0.63 H new ATOM 0 HG12 ILE B 95 6.066 18.815 -2.811 1.00 1.32 H new ATOM 0 HG13 ILE B 95 5.605 17.176 -2.392 1.00 1.32 H new ATOM 0 HG21 ILE B 95 8.235 17.595 -3.432 1.00 1.13 H new ATOM 0 HG22 ILE B 95 9.236 16.916 -2.127 1.00 1.13 H new ATOM 0 HG23 ILE B 95 7.750 16.079 -2.637 1.00 1.13 H new ATOM 0 HD11 ILE B 95 4.088 18.801 -1.374 1.00 1.68 H new ATOM 0 HD12 ILE B 95 4.988 17.916 -0.119 1.00 1.68 H new ATOM 0 HD13 ILE B 95 5.456 19.580 -0.545 1.00 1.68 H new ATOM 3117 N ARG B 96 7.396 17.578 2.220 1.00 0.64 N ATOM 3118 CA ARG B 96 7.320 18.448 3.381 1.00 0.74 C ATOM 3119 C ARG B 96 8.318 19.594 3.226 1.00 0.82 C ATOM 3120 O ARG B 96 8.161 20.656 3.827 1.00 0.93 O ATOM 3121 CB ARG B 96 7.605 17.660 4.659 1.00 0.84 C ATOM 3122 CG ARG B 96 6.507 16.674 5.022 1.00 1.65 C ATOM 3123 CD ARG B 96 5.184 17.380 5.285 1.00 2.45 C ATOM 3124 NE ARG B 96 5.296 18.373 6.350 1.00 2.91 N ATOM 3125 CZ ARG B 96 4.265 19.068 6.821 1.00 3.85 C ATOM 3126 NH1 ARG B 96 3.051 18.880 6.319 1.00 4.47 N ATOM 3127 NH2 ARG B 96 4.446 19.952 7.792 1.00 4.48 N ATOM 0 H ARG B 96 7.562 16.595 2.434 1.00 0.64 H new ATOM 0 HA ARG B 96 6.313 18.859 3.454 1.00 0.74 H new ATOM 0 HB2 ARG B 96 8.544 17.119 4.541 1.00 0.84 H new ATOM 0 HB3 ARG B 96 7.742 18.359 5.484 1.00 0.84 H new ATOM 0 HG2 ARG B 96 6.381 15.954 4.213 1.00 1.65 H new ATOM 0 HG3 ARG B 96 6.802 16.110 5.907 1.00 1.65 H new ATOM 0 HD2 ARG B 96 4.844 17.866 4.370 1.00 2.45 H new ATOM 0 HD3 ARG B 96 4.427 16.643 5.554 1.00 2.45 H new ATOM 0 HE ARG B 96 6.217 18.543 6.755 1.00 2.91 H new ATOM 0 HH11 ARG B 96 2.908 18.202 5.571 1.00 4.47 H new ATOM 0 HH12 ARG B 96 2.261 19.414 6.681 1.00 4.47 H new ATOM 0 HH21 ARG B 96 5.378 20.100 8.180 1.00 4.48 H new ATOM 0 HH22 ARG B 96 3.653 20.484 8.152 1.00 4.48 H new ATOM 3141 N LYS B 97 9.348 19.363 2.406 1.00 0.82 N ATOM 3142 CA LYS B 97 10.359 20.380 2.144 1.00 0.94 C ATOM 3143 C LYS B 97 9.918 21.253 0.975 1.00 0.93 C ATOM 3144 O LYS B 97 10.322 21.026 -0.166 1.00 0.98 O ATOM 3145 CB LYS B 97 11.742 19.768 1.827 1.00 1.07 C ATOM 3146 CG LYS B 97 11.826 18.248 1.919 1.00 1.00 C ATOM 3147 CD LYS B 97 11.724 17.767 3.356 1.00 1.56 C ATOM 3148 CE LYS B 97 11.417 16.282 3.418 1.00 1.83 C ATOM 3149 NZ LYS B 97 11.480 15.758 4.811 1.00 2.90 N ATOM 0 H LYS B 97 9.499 18.482 1.916 1.00 0.82 H new ATOM 0 HA LYS B 97 10.460 20.976 3.051 1.00 0.94 H new ATOM 0 HB2 LYS B 97 12.031 20.070 0.820 1.00 1.07 H new ATOM 0 HB3 LYS B 97 12.475 20.197 2.511 1.00 1.07 H new ATOM 0 HG2 LYS B 97 11.026 17.803 1.328 1.00 1.00 H new ATOM 0 HG3 LYS B 97 12.768 17.909 1.487 1.00 1.00 H new ATOM 0 HD2 LYS B 97 12.660 17.970 3.877 1.00 1.56 H new ATOM 0 HD3 LYS B 97 10.943 18.324 3.874 1.00 1.56 H new ATOM 0 HE2 LYS B 97 10.424 16.099 3.006 1.00 1.83 H new ATOM 0 HE3 LYS B 97 12.126 15.739 2.794 1.00 1.83 H new ATOM 0 HZ1 LYS B 97 11.264 14.741 4.809 1.00 2.90 H new ATOM 0 HZ2 LYS B 97 12.434 15.909 5.196 1.00 2.90 H new ATOM 0 HZ3 LYS B 97 10.786 16.258 5.402 1.00 2.90 H new ATOM 3163 N LYS B 98 9.081 22.240 1.262 1.00 0.96 N ATOM 3164 CA LYS B 98 8.594 23.148 0.231 1.00 1.06 C ATOM 3165 C LYS B 98 9.172 24.547 0.420 1.00 1.21 C ATOM 3166 O LYS B 98 10.242 24.826 -0.160 1.00 1.61 O ATOM 3167 CB LYS B 98 7.065 23.206 0.240 1.00 1.07 C ATOM 3168 CG LYS B 98 6.404 22.100 -0.574 1.00 1.07 C ATOM 3169 CD LYS B 98 5.039 22.537 -1.083 1.00 1.52 C ATOM 3170 CE LYS B 98 4.359 21.437 -1.880 1.00 2.00 C ATOM 3171 NZ LYS B 98 3.306 21.977 -2.784 1.00 2.73 N ATOM 3172 OXT LYS B 98 8.551 25.350 1.147 1.00 1.70 O ATOM 0 H LYS B 98 8.725 22.433 2.198 1.00 0.96 H new ATOM 0 HA LYS B 98 8.924 22.765 -0.735 1.00 1.06 H new ATOM 0 HB2 LYS B 98 6.714 23.146 1.270 1.00 1.07 H new ATOM 0 HB3 LYS B 98 6.745 24.172 -0.150 1.00 1.07 H new ATOM 0 HG2 LYS B 98 7.042 21.834 -1.417 1.00 1.07 H new ATOM 0 HG3 LYS B 98 6.298 21.206 0.040 1.00 1.07 H new ATOM 0 HD2 LYS B 98 4.409 22.818 -0.239 1.00 1.52 H new ATOM 0 HD3 LYS B 98 5.150 23.424 -1.707 1.00 1.52 H new ATOM 0 HE2 LYS B 98 5.104 20.902 -2.469 1.00 2.00 H new ATOM 0 HE3 LYS B 98 3.915 20.714 -1.196 1.00 2.00 H new ATOM 0 HZ1 LYS B 98 2.866 21.195 -3.310 1.00 2.73 H new ATOM 0 HZ2 LYS B 98 2.582 22.466 -2.220 1.00 2.73 H new ATOM 0 HZ3 LYS B 98 3.734 22.647 -3.454 1.00 2.73 H new