USER MOD reduce.3.24.130724 H: found=0, std=0, add=1443, rem=0, adj=48 USER MOD reduce.3.24.130724 removed 1445 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 74 ASN : amide:sc= 1.33 K(o=4.6,f=-5.4!) USER MOD Set 1.2: B 55 SER OG : rot -91:sc= 1.02 USER MOD Set 1.3: B 85 LYS NZ :NH3+ 167:sc= 2.2 (180deg=1) USER MOD Set 2.1: B 48 HIS : no HE2:sc= 0.908 K(o=2.1,f=-6!) USER MOD Set 2.2: B 90 LYS NZ :NH3+ -174:sc= 1.18 (180deg=1.15) USER MOD Set 3.1: B 18 THR OG1 : rot -66:sc= 0.971 USER MOD Set 3.2: B 22 THR OG1 : rot -33:sc= 0.846 USER MOD Set 4.1: A 39 LYS NZ :NH3+ 169:sc= 1.58 (180deg=0.207!) USER MOD Set 4.2: A 43 THR OG1 : rot -140:sc= 0.995 USER MOD Single : A 7 THR OG1 : rot 92:sc= 1.11 USER MOD Single : A 12 SER OG : rot 160:sc= 0 USER MOD Single : A 15 THR OG1 : rot 90:sc= 1.24 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 57:sc= 1 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.168 USER MOD Single : A 32 SER OG : rot 80:sc= 0.38 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= 0.504 K(o=0.5,f=-6.2!) USER MOD Single : A 44 GLN : amide:sc= -0.0412 X(o=-0.041,f=-0.12) USER MOD Single : A 45 GLN : amide:sc= -0.413 K(o=-0.41,f=-4.1!) USER MOD Single : A 48 HIS : no HE2:sc= -2.2! C(o=-2.2!,f=-4.2!) USER MOD Single : A 51 LYS NZ :NH3+ -168:sc= -0.312 (180deg=-0.6) USER MOD Single : A 55 SER OG : rot -145:sc= 1.15 USER MOD Single : A 59 LYS NZ :NH3+ -171:sc= -0.117 (180deg=-0.591) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ -169:sc= 0.33 (180deg=-0.031) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= 0.896 K(o=0.9,f=0) USER MOD Single : A 67 GLN : amide:sc= -1.87! C(o=-1.9!,f=-2.5!) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 170:sc= 1.06 (180deg=0.794) USER MOD Single : A 76 TYR OH : rot 110:sc= -0.0408 USER MOD Single : A 85 LYS NZ :NH3+ 127:sc= 1.27 (180deg=0.807) USER MOD Single : A 89 LYS NZ :NH3+ 163:sc= 0.312 (180deg=-0.21) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 141:sc= 1 (180deg=-6.05!) USER MOD Single : B 7 THR OG1 : rot 180:sc= -0.093 USER MOD Single : B 12 SER OG : rot 73:sc= 1.22 USER MOD Single : B 15 THR OG1 : rot 34:sc= 1.25 USER MOD Single : B 19 THR OG1 : rot 63:sc= 1.27 USER MOD Single : B 30 LYS NZ :NH3+ -155:sc= 0.084 (180deg=0.00322) USER MOD Single : B 32 SER OG : rot 180:sc= 0.457 USER MOD Single : B 34 SER OG : rot -88:sc= 1.01 USER MOD Single : B 36 ASN :FLIP amide:sc= 0 F(o=-0.58,f=0) USER MOD Single : B 39 LYS NZ :NH3+ -171:sc= 1.16 (180deg=1.12) USER MOD Single : B 43 THR OG1 : rot 149:sc= 1.25 USER MOD Single : B 44 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : B 45 GLN : amide:sc= -0.39 K(o=-0.39,f=-1.5) USER MOD Single : B 51 LYS NZ :NH3+ -165:sc= -0.0471 (180deg=-0.385) USER MOD Single : B 59 LYS NZ :NH3+ 167:sc= -1.25! (180deg=-1.92!) USER MOD Single : B 60 MET CE :methyl 169:sc= 0 (180deg=-0.149) USER MOD Single : B 61 LYS NZ :NH3+ 175:sc= 0.541 (180deg=0.508) USER MOD Single : B 62 SER OG : rot 180:sc= 0.0648 USER MOD Single : B 66 ASN : amide:sc= -0.196 X(o=-0.2,f=-0.014) USER MOD Single : B 67 GLN :FLIP amide:sc= -2.22! C(o=-3.1!,f=-2.2!) USER MOD Single : B 69 SER OG : rot -28:sc= 1.25 USER MOD Single : B 72 LYS NZ :NH3+ -160:sc= 1.35 (180deg=1.29) USER MOD Single : B 74 ASN : amide:sc= 0.428 K(o=0.43,f=-0.094) USER MOD Single : B 76 TYR OH : rot 150:sc= 0 USER MOD Single : B 89 LYS NZ :NH3+ 180:sc= 0.549 (180deg=0.549) USER MOD Single : B 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 94 LYS NZ :NH3+ 144:sc= 0.904 (180deg=-0.6!) USER MOD ----------------------------------------------------------------- ATOM 40 N GLU A 4 -13.290 -12.720 7.743 1.00 1.60 N ATOM 41 CA GLU A 4 -14.343 -11.817 7.296 1.00 1.16 C ATOM 42 C GLU A 4 -14.381 -11.824 5.767 1.00 1.22 C ATOM 43 O GLU A 4 -13.435 -12.319 5.151 1.00 1.42 O ATOM 44 CB GLU A 4 -14.167 -10.429 7.937 1.00 1.07 C ATOM 45 CG GLU A 4 -13.379 -9.338 7.197 1.00 2.22 C ATOM 46 CD GLU A 4 -13.883 -7.950 7.604 1.00 3.95 C ATOM 47 OE1 GLU A 4 -15.096 -7.710 7.424 1.00 5.21 O ATOM 48 OE2 GLU A 4 -13.077 -7.145 8.118 1.00 4.78 O ATOM 0 HA GLU A 4 -15.325 -12.153 7.630 1.00 1.16 H new ATOM 0 HB2 GLU A 4 -15.164 -10.033 8.133 1.00 1.07 H new ATOM 0 HB3 GLU A 4 -13.687 -10.577 8.904 1.00 1.07 H new ATOM 0 HG2 GLU A 4 -12.317 -9.428 7.426 1.00 2.22 H new ATOM 0 HG3 GLU A 4 -13.486 -9.470 6.120 1.00 2.22 H new ATOM 55 N PRO A 5 -15.435 -11.292 5.125 1.00 1.21 N ATOM 56 CA PRO A 5 -15.529 -11.263 3.675 1.00 1.40 C ATOM 57 C PRO A 5 -14.642 -10.148 3.105 1.00 1.46 C ATOM 58 O PRO A 5 -15.112 -9.282 2.373 1.00 1.60 O ATOM 59 CB PRO A 5 -17.022 -11.066 3.389 1.00 1.55 C ATOM 60 CG PRO A 5 -17.480 -10.207 4.565 1.00 1.54 C ATOM 61 CD PRO A 5 -16.629 -10.720 5.728 1.00 1.22 C ATOM 0 HA PRO A 5 -15.168 -12.173 3.196 1.00 1.40 H new ATOM 0 HB2 PRO A 5 -17.189 -10.567 2.434 1.00 1.55 H new ATOM 0 HB3 PRO A 5 -17.555 -12.016 3.350 1.00 1.55 H new ATOM 0 HG2 PRO A 5 -17.310 -9.147 4.379 1.00 1.54 H new ATOM 0 HG3 PRO A 5 -18.545 -10.329 4.761 1.00 1.54 H new ATOM 0 HD2 PRO A 5 -16.372 -9.910 6.411 1.00 1.22 H new ATOM 0 HD3 PRO A 5 -17.170 -11.467 6.308 1.00 1.22 H new ATOM 69 N LEU A 6 -13.344 -10.193 3.407 1.00 1.45 N ATOM 70 CA LEU A 6 -12.360 -9.285 2.840 1.00 1.49 C ATOM 71 C LEU A 6 -11.963 -9.797 1.453 1.00 1.42 C ATOM 72 O LEU A 6 -11.916 -11.007 1.231 1.00 1.49 O ATOM 73 CB LEU A 6 -11.156 -9.185 3.792 1.00 1.48 C ATOM 74 CG LEU A 6 -10.360 -10.495 3.967 1.00 1.41 C ATOM 75 CD1 LEU A 6 -9.140 -10.539 3.038 1.00 2.42 C ATOM 76 CD2 LEU A 6 -9.867 -10.599 5.413 1.00 1.93 C ATOM 0 H LEU A 6 -12.947 -10.870 4.059 1.00 1.45 H new ATOM 0 HA LEU A 6 -12.770 -8.282 2.725 1.00 1.49 H new ATOM 0 HB2 LEU A 6 -10.481 -8.413 3.422 1.00 1.48 H new ATOM 0 HB3 LEU A 6 -11.510 -8.858 4.770 1.00 1.48 H new ATOM 0 HG LEU A 6 -11.023 -11.324 3.719 1.00 1.41 H new ATOM 0 HD11 LEU A 6 -8.602 -11.475 3.188 1.00 2.42 H new ATOM 0 HD12 LEU A 6 -9.470 -10.471 2.001 1.00 2.42 H new ATOM 0 HD13 LEU A 6 -8.480 -9.702 3.264 1.00 2.42 H new ATOM 0 HD21 LEU A 6 -9.304 -11.524 5.540 1.00 1.93 H new ATOM 0 HD22 LEU A 6 -9.224 -9.749 5.640 1.00 1.93 H new ATOM 0 HD23 LEU A 6 -10.722 -10.599 6.090 1.00 1.93 H new ATOM 88 N THR A 7 -11.710 -8.884 0.512 1.00 1.49 N ATOM 89 CA THR A 7 -11.312 -9.230 -0.850 1.00 1.39 C ATOM 90 C THR A 7 -9.797 -9.064 -0.985 1.00 1.19 C ATOM 91 O THR A 7 -9.204 -8.331 -0.199 1.00 1.22 O ATOM 92 CB THR A 7 -12.062 -8.333 -1.850 1.00 1.50 C ATOM 93 OG1 THR A 7 -13.386 -8.094 -1.416 1.00 1.98 O ATOM 94 CG2 THR A 7 -12.125 -8.982 -3.238 1.00 1.55 C ATOM 0 H THR A 7 -11.777 -7.880 0.677 1.00 1.49 H new ATOM 0 HA THR A 7 -11.569 -10.267 -1.067 1.00 1.39 H new ATOM 0 HB THR A 7 -11.512 -7.394 -1.908 1.00 1.50 H new ATOM 0 HG1 THR A 7 -13.411 -7.274 -0.879 1.00 1.98 H new ATOM 0 HG21 THR A 7 -12.661 -8.325 -3.923 1.00 1.55 H new ATOM 0 HG22 THR A 7 -11.113 -9.146 -3.609 1.00 1.55 H new ATOM 0 HG23 THR A 7 -12.646 -9.937 -3.170 1.00 1.55 H new ATOM 102 N GLU A 8 -9.182 -9.684 -1.999 1.00 1.12 N ATOM 103 CA GLU A 8 -7.746 -9.647 -2.285 1.00 1.08 C ATOM 104 C GLU A 8 -7.145 -8.247 -2.122 1.00 1.05 C ATOM 105 O GLU A 8 -6.064 -8.083 -1.567 1.00 1.11 O ATOM 106 CB GLU A 8 -7.530 -10.159 -3.717 1.00 1.19 C ATOM 107 CG GLU A 8 -7.966 -11.627 -3.873 1.00 1.26 C ATOM 108 CD GLU A 8 -8.614 -11.878 -5.227 1.00 1.83 C ATOM 109 OE1 GLU A 8 -9.655 -11.226 -5.462 1.00 2.69 O ATOM 110 OE2 GLU A 8 -8.076 -12.708 -5.988 1.00 2.49 O ATOM 0 H GLU A 8 -9.697 -10.251 -2.673 1.00 1.12 H new ATOM 0 HA GLU A 8 -7.234 -10.283 -1.563 1.00 1.08 H new ATOM 0 HB2 GLU A 8 -8.092 -9.537 -4.414 1.00 1.19 H new ATOM 0 HB3 GLU A 8 -6.477 -10.063 -3.982 1.00 1.19 H new ATOM 0 HG2 GLU A 8 -7.100 -12.279 -3.757 1.00 1.26 H new ATOM 0 HG3 GLU A 8 -8.668 -11.885 -3.080 1.00 1.26 H new ATOM 117 N LEU A 9 -7.846 -7.216 -2.601 1.00 1.02 N ATOM 118 CA LEU A 9 -7.372 -5.849 -2.464 1.00 1.01 C ATOM 119 C LEU A 9 -7.273 -5.495 -0.976 1.00 1.01 C ATOM 120 O LEU A 9 -6.240 -5.012 -0.517 1.00 1.07 O ATOM 121 CB LEU A 9 -8.302 -4.879 -3.211 1.00 1.04 C ATOM 122 CG LEU A 9 -8.286 -4.960 -4.752 1.00 1.06 C ATOM 123 CD1 LEU A 9 -6.958 -4.493 -5.354 1.00 1.93 C ATOM 124 CD2 LEU A 9 -8.643 -6.338 -5.322 1.00 1.72 C ATOM 0 H LEU A 9 -8.740 -7.308 -3.084 1.00 1.02 H new ATOM 0 HA LEU A 9 -6.382 -5.759 -2.911 1.00 1.01 H new ATOM 0 HB2 LEU A 9 -9.323 -5.054 -2.871 1.00 1.04 H new ATOM 0 HB3 LEU A 9 -8.039 -3.862 -2.920 1.00 1.04 H new ATOM 0 HG LEU A 9 -9.078 -4.273 -5.049 1.00 1.06 H new ATOM 0 HD11 LEU A 9 -7.003 -4.571 -6.440 1.00 1.93 H new ATOM 0 HD12 LEU A 9 -6.776 -3.456 -5.072 1.00 1.93 H new ATOM 0 HD13 LEU A 9 -6.148 -5.119 -4.979 1.00 1.93 H new ATOM 0 HD21 LEU A 9 -8.607 -6.302 -6.411 1.00 1.72 H new ATOM 0 HD22 LEU A 9 -7.929 -7.078 -4.959 1.00 1.72 H new ATOM 0 HD23 LEU A 9 -9.647 -6.615 -5.002 1.00 1.72 H new ATOM 136 N GLU A 10 -8.338 -5.752 -0.210 1.00 0.97 N ATOM 137 CA GLU A 10 -8.374 -5.467 1.217 1.00 1.03 C ATOM 138 C GLU A 10 -7.318 -6.292 1.946 1.00 0.95 C ATOM 139 O GLU A 10 -6.627 -5.776 2.822 1.00 0.88 O ATOM 140 CB GLU A 10 -9.779 -5.711 1.780 1.00 1.17 C ATOM 141 CG GLU A 10 -10.056 -4.815 2.995 1.00 1.74 C ATOM 142 CD GLU A 10 -9.269 -5.157 4.251 1.00 2.28 C ATOM 143 OE1 GLU A 10 -9.340 -6.325 4.679 1.00 2.81 O ATOM 144 OE2 GLU A 10 -8.634 -4.219 4.787 1.00 3.48 O ATOM 0 H GLU A 10 -9.199 -6.165 -0.569 1.00 0.97 H new ATOM 0 HA GLU A 10 -8.140 -4.414 1.376 1.00 1.03 H new ATOM 0 HB2 GLU A 10 -10.522 -5.518 1.006 1.00 1.17 H new ATOM 0 HB3 GLU A 10 -9.882 -6.758 2.066 1.00 1.17 H new ATOM 0 HG2 GLU A 10 -9.839 -3.783 2.721 1.00 1.74 H new ATOM 0 HG3 GLU A 10 -11.120 -4.866 3.228 1.00 1.74 H new ATOM 151 N GLU A 11 -7.134 -7.540 1.514 1.00 1.04 N ATOM 152 CA GLU A 11 -6.082 -8.413 2.005 1.00 1.09 C ATOM 153 C GLU A 11 -4.719 -7.703 1.997 1.00 1.01 C ATOM 154 O GLU A 11 -3.897 -7.940 2.879 1.00 1.07 O ATOM 155 CB GLU A 11 -6.087 -9.735 1.223 1.00 1.36 C ATOM 156 CG GLU A 11 -5.516 -10.897 2.050 1.00 1.35 C ATOM 157 CD GLU A 11 -5.787 -12.250 1.402 1.00 2.37 C ATOM 158 OE1 GLU A 11 -5.868 -12.280 0.155 1.00 3.27 O ATOM 159 OE2 GLU A 11 -5.922 -13.230 2.166 1.00 3.10 O ATOM 0 H GLU A 11 -7.723 -7.973 0.803 1.00 1.04 H new ATOM 0 HA GLU A 11 -6.277 -8.661 3.048 1.00 1.09 H new ATOM 0 HB2 GLU A 11 -7.107 -9.973 0.920 1.00 1.36 H new ATOM 0 HB3 GLU A 11 -5.502 -9.618 0.310 1.00 1.36 H new ATOM 0 HG2 GLU A 11 -4.441 -10.762 2.170 1.00 1.35 H new ATOM 0 HG3 GLU A 11 -5.953 -10.880 3.048 1.00 1.35 H new ATOM 166 N SER A 12 -4.473 -6.764 1.072 1.00 0.99 N ATOM 167 CA SER A 12 -3.197 -6.063 1.074 1.00 0.93 C ATOM 168 C SER A 12 -3.179 -5.028 2.200 1.00 0.78 C ATOM 169 O SER A 12 -2.152 -4.766 2.821 1.00 0.83 O ATOM 170 CB SER A 12 -2.978 -5.403 -0.287 1.00 1.06 C ATOM 171 OG SER A 12 -2.903 -6.404 -1.284 1.00 1.59 O ATOM 0 H SER A 12 -5.123 -6.484 0.337 1.00 0.99 H new ATOM 0 HA SER A 12 -2.385 -6.769 1.249 1.00 0.93 H new ATOM 0 HB2 SER A 12 -3.795 -4.715 -0.506 1.00 1.06 H new ATOM 0 HB3 SER A 12 -2.060 -4.815 -0.276 1.00 1.06 H new ATOM 0 HG SER A 12 -3.084 -6.006 -2.161 1.00 1.59 H new ATOM 177 N ILE A 13 -4.332 -4.418 2.453 1.00 0.66 N ATOM 178 CA ILE A 13 -4.493 -3.290 3.345 1.00 0.63 C ATOM 179 C ILE A 13 -4.408 -3.781 4.781 1.00 0.61 C ATOM 180 O ILE A 13 -3.631 -3.249 5.578 1.00 0.59 O ATOM 181 CB ILE A 13 -5.837 -2.604 3.047 1.00 0.64 C ATOM 182 CG1 ILE A 13 -5.865 -2.246 1.556 1.00 0.77 C ATOM 183 CG2 ILE A 13 -6.100 -1.355 3.903 1.00 0.65 C ATOM 184 CD1 ILE A 13 -7.175 -1.610 1.152 1.00 0.84 C ATOM 0 H ILE A 13 -5.209 -4.712 2.023 1.00 0.66 H new ATOM 0 HA ILE A 13 -3.702 -2.555 3.194 1.00 0.63 H new ATOM 0 HB ILE A 13 -6.633 -3.302 3.305 1.00 0.64 H new ATOM 0 HG12 ILE A 13 -5.046 -1.563 1.332 1.00 0.77 H new ATOM 0 HG13 ILE A 13 -5.701 -3.146 0.964 1.00 0.77 H new ATOM 0 HG21 ILE A 13 -7.066 -0.927 3.635 1.00 0.65 H new ATOM 0 HG22 ILE A 13 -6.105 -1.631 4.957 1.00 0.65 H new ATOM 0 HG23 ILE A 13 -5.316 -0.620 3.724 1.00 0.65 H new ATOM 0 HD11 ILE A 13 -7.151 -1.373 0.088 1.00 0.84 H new ATOM 0 HD12 ILE A 13 -7.993 -2.303 1.351 1.00 0.84 H new ATOM 0 HD13 ILE A 13 -7.327 -0.695 1.725 1.00 0.84 H new ATOM 196 N GLU A 14 -5.216 -4.793 5.109 1.00 0.67 N ATOM 197 CA GLU A 14 -5.150 -5.471 6.390 1.00 0.68 C ATOM 198 C GLU A 14 -3.720 -5.977 6.651 1.00 0.72 C ATOM 199 O GLU A 14 -3.203 -5.810 7.752 1.00 0.73 O ATOM 200 CB GLU A 14 -6.251 -6.529 6.487 1.00 0.86 C ATOM 201 CG GLU A 14 -6.055 -7.703 5.532 1.00 1.50 C ATOM 202 CD GLU A 14 -5.335 -8.885 6.160 1.00 2.68 C ATOM 203 OE1 GLU A 14 -4.794 -8.744 7.276 1.00 2.95 O ATOM 204 OE2 GLU A 14 -5.469 -10.003 5.625 1.00 3.83 O ATOM 0 H GLU A 14 -5.935 -5.161 4.485 1.00 0.67 H new ATOM 0 HA GLU A 14 -5.356 -4.777 7.205 1.00 0.68 H new ATOM 0 HB2 GLU A 14 -6.292 -6.906 7.509 1.00 0.86 H new ATOM 0 HB3 GLU A 14 -7.213 -6.060 6.281 1.00 0.86 H new ATOM 0 HG2 GLU A 14 -7.029 -8.032 5.170 1.00 1.50 H new ATOM 0 HG3 GLU A 14 -5.490 -7.364 4.664 1.00 1.50 H new ATOM 211 N THR A 15 -3.040 -6.485 5.616 1.00 0.80 N ATOM 212 CA THR A 15 -1.647 -6.902 5.724 1.00 0.85 C ATOM 213 C THR A 15 -0.709 -5.712 5.960 1.00 0.85 C ATOM 214 O THR A 15 0.211 -5.827 6.760 1.00 0.97 O ATOM 215 CB THR A 15 -1.222 -7.777 4.536 1.00 0.89 C ATOM 216 OG1 THR A 15 -2.019 -8.942 4.522 1.00 0.92 O ATOM 217 CG2 THR A 15 0.232 -8.242 4.668 1.00 0.96 C ATOM 0 H THR A 15 -3.442 -6.616 4.688 1.00 0.80 H new ATOM 0 HA THR A 15 -1.562 -7.531 6.610 1.00 0.85 H new ATOM 0 HB THR A 15 -1.337 -7.181 3.630 1.00 0.89 H new ATOM 0 HG1 THR A 15 -2.820 -8.784 3.980 1.00 0.92 H new ATOM 0 HG21 THR A 15 0.496 -8.859 3.809 1.00 0.96 H new ATOM 0 HG22 THR A 15 0.890 -7.374 4.707 1.00 0.96 H new ATOM 0 HG23 THR A 15 0.346 -8.825 5.582 1.00 0.96 H new ATOM 225 N VAL A 16 -0.904 -4.547 5.332 1.00 0.79 N ATOM 226 CA VAL A 16 -0.063 -3.407 5.665 1.00 0.72 C ATOM 227 C VAL A 16 -0.263 -3.001 7.127 1.00 0.65 C ATOM 228 O VAL A 16 0.713 -2.865 7.860 1.00 0.71 O ATOM 229 CB VAL A 16 -0.303 -2.228 4.719 1.00 0.69 C ATOM 230 CG1 VAL A 16 0.323 -0.977 5.340 1.00 0.63 C ATOM 231 CG2 VAL A 16 0.340 -2.483 3.351 1.00 0.75 C ATOM 0 H VAL A 16 -1.611 -4.377 4.617 1.00 0.79 H new ATOM 0 HA VAL A 16 0.976 -3.710 5.535 1.00 0.72 H new ATOM 0 HB VAL A 16 -1.376 -2.098 4.576 1.00 0.69 H new ATOM 0 HG11 VAL A 16 0.163 -0.124 4.680 1.00 0.63 H new ATOM 0 HG12 VAL A 16 -0.140 -0.780 6.307 1.00 0.63 H new ATOM 0 HG13 VAL A 16 1.393 -1.135 5.476 1.00 0.63 H new ATOM 0 HG21 VAL A 16 0.155 -1.631 2.697 1.00 0.75 H new ATOM 0 HG22 VAL A 16 1.414 -2.620 3.474 1.00 0.75 H new ATOM 0 HG23 VAL A 16 -0.092 -3.380 2.908 1.00 0.75 H new ATOM 241 N VAL A 17 -1.504 -2.773 7.568 1.00 0.57 N ATOM 242 CA VAL A 17 -1.714 -2.408 8.971 1.00 0.57 C ATOM 243 C VAL A 17 -1.180 -3.526 9.885 1.00 0.78 C ATOM 244 O VAL A 17 -0.571 -3.252 10.915 1.00 0.97 O ATOM 245 CB VAL A 17 -3.162 -1.973 9.248 1.00 0.56 C ATOM 246 CG1 VAL A 17 -3.538 -0.767 8.375 1.00 0.60 C ATOM 247 CG2 VAL A 17 -4.162 -3.103 9.021 1.00 0.55 C ATOM 0 H VAL A 17 -2.348 -2.831 6.999 1.00 0.57 H new ATOM 0 HA VAL A 17 -1.132 -1.517 9.208 1.00 0.57 H new ATOM 0 HB VAL A 17 -3.211 -1.694 10.300 1.00 0.56 H new ATOM 0 HG11 VAL A 17 -4.566 -0.473 8.584 1.00 0.60 H new ATOM 0 HG12 VAL A 17 -2.870 0.065 8.597 1.00 0.60 H new ATOM 0 HG13 VAL A 17 -3.445 -1.036 7.323 1.00 0.60 H new ATOM 0 HG21 VAL A 17 -5.170 -2.744 9.230 1.00 0.55 H new ATOM 0 HG22 VAL A 17 -4.104 -3.438 7.985 1.00 0.55 H new ATOM 0 HG23 VAL A 17 -3.928 -3.935 9.685 1.00 0.55 H new ATOM 257 N THR A 18 -1.306 -4.768 9.412 1.00 0.94 N ATOM 258 CA THR A 18 -0.539 -5.940 9.784 1.00 1.57 C ATOM 259 C THR A 18 0.949 -5.688 10.033 1.00 1.38 C ATOM 260 O THR A 18 1.489 -5.964 11.102 1.00 1.51 O ATOM 261 CB THR A 18 -1.255 -6.911 10.719 1.00 0.81 C ATOM 262 OG1 THR A 18 -1.445 -6.382 12.015 1.00 1.57 O ATOM 263 CG2 THR A 18 -0.422 -8.202 10.742 1.00 1.05 C ATOM 0 H THR A 18 -2.005 -4.988 8.703 1.00 0.94 H new ATOM 0 HA THR A 18 -0.494 -6.534 8.871 1.00 1.57 H new ATOM 0 HB THR A 18 -2.262 -7.107 10.352 1.00 0.81 H new ATOM 0 HG1 THR A 18 -1.908 -7.041 12.573 1.00 1.57 H new ATOM 0 HG21 THR A 18 -0.897 -8.930 11.400 1.00 1.05 H new ATOM 0 HG22 THR A 18 -0.358 -8.612 9.734 1.00 1.05 H new ATOM 0 HG23 THR A 18 0.581 -7.982 11.108 1.00 1.05 H new ATOM 271 N THR A 19 1.639 -5.224 8.999 1.00 1.25 N ATOM 272 CA THR A 19 3.068 -5.432 8.857 1.00 1.38 C ATOM 273 C THR A 19 3.895 -4.549 9.774 1.00 1.45 C ATOM 274 O THR A 19 5.075 -4.801 9.977 1.00 1.98 O ATOM 275 CB THR A 19 3.482 -5.413 7.388 1.00 1.45 C ATOM 276 OG1 THR A 19 4.655 -6.170 7.226 1.00 2.20 O ATOM 277 CG2 THR A 19 3.752 -4.016 6.810 1.00 2.39 C ATOM 0 H THR A 19 1.220 -4.693 8.236 1.00 1.25 H new ATOM 0 HA THR A 19 3.298 -6.437 9.212 1.00 1.38 H new ATOM 0 HB THR A 19 2.631 -5.826 6.846 1.00 1.45 H new ATOM 0 HG1 THR A 19 4.503 -7.082 7.550 1.00 2.20 H new ATOM 0 HG21 THR A 19 4.039 -4.105 5.762 1.00 2.39 H new ATOM 0 HG22 THR A 19 2.850 -3.409 6.889 1.00 2.39 H new ATOM 0 HG23 THR A 19 4.559 -3.541 7.368 1.00 2.39 H new ATOM 285 N PHE A 20 3.304 -3.495 10.334 1.00 1.11 N ATOM 286 CA PHE A 20 3.900 -2.881 11.513 1.00 1.43 C ATOM 287 C PHE A 20 4.144 -3.914 12.650 1.00 2.04 C ATOM 288 O PHE A 20 5.148 -3.817 13.352 1.00 2.40 O ATOM 289 CB PHE A 20 3.042 -1.685 11.956 1.00 1.48 C ATOM 290 CG PHE A 20 2.815 -0.635 10.870 1.00 1.16 C ATOM 291 CD1 PHE A 20 3.840 0.261 10.511 1.00 1.83 C ATOM 292 CD2 PHE A 20 1.593 -0.587 10.175 1.00 1.70 C ATOM 293 CE1 PHE A 20 3.667 1.139 9.421 1.00 1.63 C ATOM 294 CE2 PHE A 20 1.406 0.315 9.109 1.00 1.82 C ATOM 295 CZ PHE A 20 2.444 1.182 8.724 1.00 1.01 C ATOM 0 H PHE A 20 2.442 -3.062 10.003 1.00 1.11 H new ATOM 0 HA PHE A 20 4.890 -2.505 11.257 1.00 1.43 H new ATOM 0 HB2 PHE A 20 2.074 -2.054 12.296 1.00 1.48 H new ATOM 0 HB3 PHE A 20 3.520 -1.208 12.812 1.00 1.48 H new ATOM 0 HD1 PHE A 20 4.762 0.276 11.073 1.00 1.83 H new ATOM 0 HD2 PHE A 20 0.789 -1.249 10.462 1.00 1.70 H new ATOM 0 HE1 PHE A 20 4.479 1.784 9.118 1.00 1.63 H new ATOM 0 HE2 PHE A 20 0.462 0.341 8.585 1.00 1.82 H new ATOM 0 HZ PHE A 20 2.305 1.872 7.905 1.00 1.01 H new ATOM 305 N PHE A 21 3.209 -4.851 12.874 1.00 2.20 N ATOM 306 CA PHE A 21 3.156 -5.787 14.008 1.00 2.58 C ATOM 307 C PHE A 21 3.956 -7.108 13.952 1.00 2.85 C ATOM 308 O PHE A 21 4.564 -7.451 14.965 1.00 3.20 O ATOM 309 CB PHE A 21 1.700 -6.077 14.394 1.00 2.30 C ATOM 310 CG PHE A 21 0.936 -4.862 14.876 1.00 2.09 C ATOM 311 CD1 PHE A 21 1.053 -4.441 16.213 1.00 2.23 C ATOM 312 CD2 PHE A 21 0.125 -4.139 13.985 1.00 3.65 C ATOM 313 CE1 PHE A 21 0.359 -3.301 16.657 1.00 3.30 C ATOM 314 CE2 PHE A 21 -0.560 -2.994 14.424 1.00 4.92 C ATOM 315 CZ PHE A 21 -0.444 -2.574 15.760 1.00 4.60 C ATOM 0 H PHE A 21 2.427 -4.983 12.233 1.00 2.20 H new ATOM 0 HA PHE A 21 3.699 -5.228 14.770 1.00 2.58 H new ATOM 0 HB2 PHE A 21 1.184 -6.499 13.532 1.00 2.30 H new ATOM 0 HB3 PHE A 21 1.687 -6.836 15.177 1.00 2.30 H new ATOM 0 HD1 PHE A 21 1.677 -4.994 16.900 1.00 2.23 H new ATOM 0 HD2 PHE A 21 0.028 -4.465 12.960 1.00 3.65 H new ATOM 0 HE1 PHE A 21 0.443 -2.984 17.686 1.00 3.30 H new ATOM 0 HE2 PHE A 21 -1.176 -2.436 13.734 1.00 4.92 H new ATOM 0 HZ PHE A 21 -0.971 -1.694 16.098 1.00 4.60 H new ATOM 325 N THR A 22 3.867 -7.919 12.882 1.00 2.78 N ATOM 326 CA THR A 22 3.971 -9.393 13.005 1.00 3.16 C ATOM 327 C THR A 22 4.513 -10.061 11.721 1.00 4.38 C ATOM 328 O THR A 22 3.788 -10.010 10.736 1.00 4.49 O ATOM 329 CB THR A 22 2.511 -9.871 13.214 1.00 2.84 C ATOM 330 OG1 THR A 22 1.919 -9.221 14.321 1.00 2.78 O ATOM 331 CG2 THR A 22 2.309 -11.376 13.401 1.00 3.60 C ATOM 0 H THR A 22 3.725 -7.587 11.928 1.00 2.78 H new ATOM 0 HA THR A 22 4.656 -9.656 13.812 1.00 3.16 H new ATOM 0 HB THR A 22 2.033 -9.607 12.271 1.00 2.84 H new ATOM 0 HG1 THR A 22 0.998 -9.537 14.432 1.00 2.78 H new ATOM 0 HG21 THR A 22 1.248 -11.587 13.538 1.00 3.60 H new ATOM 0 HG22 THR A 22 2.673 -11.904 12.520 1.00 3.60 H new ATOM 0 HG23 THR A 22 2.862 -11.711 14.279 1.00 3.60 H new ATOM 478 N ASP A 31 1.770 4.337 15.052 1.00 1.11 N ATOM 479 CA ASP A 31 1.193 4.331 13.712 1.00 1.07 C ATOM 480 C ASP A 31 2.205 3.821 12.689 1.00 1.15 C ATOM 481 O ASP A 31 1.867 3.002 11.839 1.00 1.77 O ATOM 482 CB ASP A 31 0.708 5.733 13.305 1.00 1.22 C ATOM 483 CG ASP A 31 -0.510 6.214 14.081 1.00 1.86 C ATOM 484 OD1 ASP A 31 -1.453 5.411 14.240 1.00 2.76 O ATOM 485 OD2 ASP A 31 -0.490 7.389 14.503 1.00 2.88 O ATOM 0 HA ASP A 31 0.335 3.659 13.731 1.00 1.07 H new ATOM 0 HB2 ASP A 31 1.522 6.444 13.448 1.00 1.22 H new ATOM 0 HB3 ASP A 31 0.471 5.730 12.241 1.00 1.22 H new ATOM 490 N SER A 32 3.427 4.362 12.714 1.00 0.99 N ATOM 491 CA SER A 32 4.450 4.082 11.719 1.00 0.93 C ATOM 492 C SER A 32 5.842 4.353 12.311 1.00 0.92 C ATOM 493 O SER A 32 6.092 4.033 13.477 1.00 1.24 O ATOM 494 CB SER A 32 4.141 4.914 10.466 1.00 1.01 C ATOM 495 OG SER A 32 5.007 4.610 9.390 1.00 1.50 O ATOM 0 H SER A 32 3.731 5.014 13.437 1.00 0.99 H new ATOM 0 HA SER A 32 4.449 3.032 11.427 1.00 0.93 H new ATOM 0 HB2 SER A 32 3.110 4.736 10.160 1.00 1.01 H new ATOM 0 HB3 SER A 32 4.224 5.974 10.707 1.00 1.01 H new ATOM 0 HG SER A 32 4.705 3.788 8.950 1.00 1.50 H new ATOM 501 N LEU A 33 6.746 4.897 11.490 1.00 0.91 N ATOM 502 CA LEU A 33 8.132 5.202 11.812 1.00 0.93 C ATOM 503 C LEU A 33 8.416 6.680 11.528 1.00 0.90 C ATOM 504 O LEU A 33 7.572 7.388 10.983 1.00 1.05 O ATOM 505 CB LEU A 33 9.109 4.385 10.948 1.00 1.16 C ATOM 506 CG LEU A 33 8.854 2.902 10.663 1.00 1.47 C ATOM 507 CD1 LEU A 33 8.765 2.059 11.928 1.00 1.67 C ATOM 508 CD2 LEU A 33 7.620 2.689 9.788 1.00 1.70 C ATOM 0 H LEU A 33 6.510 5.148 10.530 1.00 0.91 H new ATOM 0 HA LEU A 33 8.276 4.958 12.865 1.00 0.93 H new ATOM 0 HB2 LEU A 33 9.181 4.888 9.984 1.00 1.16 H new ATOM 0 HB3 LEU A 33 10.089 4.456 11.419 1.00 1.16 H new ATOM 0 HG LEU A 33 9.727 2.558 10.109 1.00 1.47 H new ATOM 0 HD11 LEU A 33 8.583 1.018 11.660 1.00 1.67 H new ATOM 0 HD12 LEU A 33 9.701 2.133 12.481 1.00 1.67 H new ATOM 0 HD13 LEU A 33 7.947 2.421 12.550 1.00 1.67 H new ATOM 0 HD21 LEU A 33 7.478 1.623 9.612 1.00 1.70 H new ATOM 0 HD22 LEU A 33 6.742 3.093 10.292 1.00 1.70 H new ATOM 0 HD23 LEU A 33 7.758 3.199 8.834 1.00 1.70 H new ATOM 520 N SER A 34 9.646 7.108 11.814 1.00 0.82 N ATOM 521 CA SER A 34 10.168 8.417 11.421 1.00 0.76 C ATOM 522 C SER A 34 10.574 8.374 9.950 1.00 0.69 C ATOM 523 O SER A 34 10.899 7.299 9.455 1.00 0.68 O ATOM 524 CB SER A 34 11.309 8.850 12.348 1.00 0.81 C ATOM 525 OG SER A 34 10.991 8.494 13.682 1.00 1.47 O ATOM 0 H SER A 34 10.319 6.545 12.334 1.00 0.82 H new ATOM 0 HA SER A 34 9.393 9.176 11.528 1.00 0.76 H new ATOM 0 HB2 SER A 34 12.240 8.372 12.044 1.00 0.81 H new ATOM 0 HB3 SER A 34 11.464 9.926 12.274 1.00 0.81 H new ATOM 0 HG SER A 34 11.720 8.768 14.276 1.00 1.47 H new ATOM 531 N VAL A 35 10.523 9.489 9.215 1.00 0.76 N ATOM 532 CA VAL A 35 10.717 9.423 7.765 1.00 0.69 C ATOM 533 C VAL A 35 12.109 8.888 7.399 1.00 0.60 C ATOM 534 O VAL A 35 12.226 7.995 6.557 1.00 0.59 O ATOM 535 CB VAL A 35 10.510 10.778 7.078 1.00 0.86 C ATOM 536 CG1 VAL A 35 10.228 10.570 5.586 1.00 0.92 C ATOM 537 CG2 VAL A 35 9.389 11.642 7.667 1.00 0.99 C ATOM 0 H VAL A 35 10.354 10.423 9.587 1.00 0.76 H new ATOM 0 HA VAL A 35 9.956 8.732 7.403 1.00 0.69 H new ATOM 0 HB VAL A 35 11.440 11.321 7.246 1.00 0.86 H new ATOM 0 HG11 VAL A 35 10.082 11.537 5.105 1.00 0.92 H new ATOM 0 HG12 VAL A 35 11.072 10.059 5.124 1.00 0.92 H new ATOM 0 HG13 VAL A 35 9.329 9.966 5.466 1.00 0.92 H new ATOM 0 HG21 VAL A 35 9.322 12.578 7.113 1.00 0.99 H new ATOM 0 HG22 VAL A 35 8.441 11.108 7.593 1.00 0.99 H new ATOM 0 HG23 VAL A 35 9.605 11.854 8.714 1.00 0.99 H new ATOM 547 N ASN A 36 13.159 9.463 7.999 1.00 0.68 N ATOM 548 CA ASN A 36 14.547 9.056 7.736 1.00 0.79 C ATOM 549 C ASN A 36 14.686 7.541 7.946 1.00 0.71 C ATOM 550 O ASN A 36 14.916 6.797 6.988 1.00 0.75 O ATOM 551 CB ASN A 36 15.567 9.829 8.599 1.00 1.05 C ATOM 552 CG ASN A 36 15.053 10.247 9.979 1.00 3.29 C ATOM 553 OD1 ASN A 36 14.401 9.469 10.673 1.00 4.80 O ATOM 554 ND2 ASN A 36 15.296 11.494 10.371 1.00 3.93 N ATOM 0 H ASN A 36 13.072 10.220 8.677 1.00 0.68 H new ATOM 0 HA ASN A 36 14.776 9.304 6.699 1.00 0.79 H new ATOM 0 HB2 ASN A 36 16.455 9.210 8.729 1.00 1.05 H new ATOM 0 HB3 ASN A 36 15.878 10.722 8.057 1.00 1.05 H new ATOM 0 HD21 ASN A 36 14.939 11.826 11.267 1.00 3.93 H new ATOM 0 HD22 ASN A 36 15.840 12.119 9.776 1.00 3.93 H new ATOM 561 N GLU A 37 14.419 7.109 9.187 1.00 0.70 N ATOM 562 CA GLU A 37 14.268 5.720 9.607 1.00 0.72 C ATOM 563 C GLU A 37 13.500 4.949 8.540 1.00 0.70 C ATOM 564 O GLU A 37 13.910 3.867 8.144 1.00 0.67 O ATOM 565 CB GLU A 37 13.575 5.690 10.987 1.00 0.83 C ATOM 566 CG GLU A 37 12.710 4.466 11.348 1.00 1.50 C ATOM 567 CD GLU A 37 13.442 3.178 11.696 1.00 2.37 C ATOM 568 OE1 GLU A 37 14.686 3.159 11.650 1.00 3.24 O ATOM 569 OE2 GLU A 37 12.721 2.211 12.042 1.00 3.35 O ATOM 0 H GLU A 37 14.297 7.760 9.963 1.00 0.70 H new ATOM 0 HA GLU A 37 15.237 5.233 9.715 1.00 0.72 H new ATOM 0 HB2 GLU A 37 14.349 5.786 11.749 1.00 0.83 H new ATOM 0 HB3 GLU A 37 12.944 6.576 11.061 1.00 0.83 H new ATOM 0 HG2 GLU A 37 12.079 4.736 12.195 1.00 1.50 H new ATOM 0 HG3 GLU A 37 12.046 4.261 10.508 1.00 1.50 H new ATOM 576 N PHE A 38 12.383 5.494 8.053 1.00 0.81 N ATOM 577 CA PHE A 38 11.561 4.788 7.096 1.00 0.74 C ATOM 578 C PHE A 38 12.260 4.558 5.762 1.00 0.74 C ATOM 579 O PHE A 38 12.187 3.438 5.265 1.00 0.79 O ATOM 580 CB PHE A 38 10.187 5.423 6.894 1.00 0.65 C ATOM 581 CG PHE A 38 9.235 4.464 6.203 1.00 0.86 C ATOM 582 CD1 PHE A 38 8.967 3.228 6.813 1.00 2.88 C ATOM 583 CD2 PHE A 38 8.814 4.686 4.879 1.00 1.45 C ATOM 584 CE1 PHE A 38 8.269 2.230 6.121 1.00 3.69 C ATOM 585 CE2 PHE A 38 8.059 3.709 4.205 1.00 1.51 C ATOM 586 CZ PHE A 38 7.788 2.479 4.828 1.00 2.51 C ATOM 0 H PHE A 38 12.037 6.418 8.311 1.00 0.81 H new ATOM 0 HA PHE A 38 11.395 3.809 7.546 1.00 0.74 H new ATOM 0 HB2 PHE A 38 9.774 5.717 7.859 1.00 0.65 H new ATOM 0 HB3 PHE A 38 10.287 6.331 6.300 1.00 0.65 H new ATOM 0 HD1 PHE A 38 9.302 3.045 7.823 1.00 2.88 H new ATOM 0 HD2 PHE A 38 9.071 5.608 4.379 1.00 1.45 H new ATOM 0 HE1 PHE A 38 8.101 1.269 6.584 1.00 3.69 H new ATOM 0 HE2 PHE A 38 7.688 3.904 3.210 1.00 1.51 H new ATOM 0 HZ PHE A 38 7.210 1.727 4.312 1.00 2.51 H new ATOM 596 N LYS A 39 12.928 5.556 5.164 1.00 0.73 N ATOM 597 CA LYS A 39 13.686 5.285 3.936 1.00 0.69 C ATOM 598 C LYS A 39 14.689 4.177 4.249 1.00 0.66 C ATOM 599 O LYS A 39 14.707 3.139 3.583 1.00 0.60 O ATOM 600 CB LYS A 39 14.377 6.534 3.342 1.00 0.84 C ATOM 601 CG LYS A 39 14.577 6.472 1.807 1.00 1.27 C ATOM 602 CD LYS A 39 15.641 5.480 1.279 1.00 2.35 C ATOM 603 CE LYS A 39 15.548 5.299 -0.256 1.00 3.78 C ATOM 604 NZ LYS A 39 16.462 4.274 -0.833 1.00 5.29 N ATOM 0 H LYS A 39 12.960 6.520 5.495 1.00 0.73 H new ATOM 0 HA LYS A 39 12.991 4.969 3.158 1.00 0.69 H new ATOM 0 HB2 LYS A 39 13.784 7.415 3.586 1.00 0.84 H new ATOM 0 HB3 LYS A 39 15.348 6.661 3.820 1.00 0.84 H new ATOM 0 HG2 LYS A 39 13.620 6.218 1.350 1.00 1.27 H new ATOM 0 HG3 LYS A 39 14.842 7.470 1.459 1.00 1.27 H new ATOM 0 HD2 LYS A 39 16.636 5.840 1.543 1.00 2.35 H new ATOM 0 HD3 LYS A 39 15.511 4.514 1.767 1.00 2.35 H new ATOM 0 HE2 LYS A 39 14.523 5.033 -0.512 1.00 3.78 H new ATOM 0 HE3 LYS A 39 15.757 6.257 -0.732 1.00 3.78 H new ATOM 0 HZ1 LYS A 39 16.200 4.093 -1.823 1.00 5.29 H new ATOM 0 HZ2 LYS A 39 17.442 4.620 -0.792 1.00 5.29 H new ATOM 0 HZ3 LYS A 39 16.383 3.392 -0.287 1.00 5.29 H new ATOM 618 N GLU A 40 15.496 4.396 5.291 1.00 0.85 N ATOM 619 CA GLU A 40 16.511 3.455 5.738 1.00 0.95 C ATOM 620 C GLU A 40 15.912 2.056 5.962 1.00 0.93 C ATOM 621 O GLU A 40 16.563 1.053 5.682 1.00 1.10 O ATOM 622 CB GLU A 40 17.197 4.026 6.987 1.00 1.16 C ATOM 623 CG GLU A 40 17.929 5.339 6.660 1.00 1.23 C ATOM 624 CD GLU A 40 18.440 6.019 7.921 1.00 2.11 C ATOM 625 OE1 GLU A 40 19.413 5.485 8.491 1.00 2.40 O ATOM 626 OE2 GLU A 40 17.857 7.062 8.283 1.00 3.37 O ATOM 0 H GLU A 40 15.457 5.247 5.852 1.00 0.85 H new ATOM 0 HA GLU A 40 17.269 3.325 4.966 1.00 0.95 H new ATOM 0 HB2 GLU A 40 16.455 4.203 7.765 1.00 1.16 H new ATOM 0 HB3 GLU A 40 17.906 3.298 7.382 1.00 1.16 H new ATOM 0 HG2 GLU A 40 18.765 5.134 5.991 1.00 1.23 H new ATOM 0 HG3 GLU A 40 17.254 6.011 6.130 1.00 1.23 H new ATOM 633 N LEU A 41 14.662 1.981 6.429 1.00 0.90 N ATOM 634 CA LEU A 41 13.988 0.728 6.684 1.00 0.90 C ATOM 635 C LEU A 41 13.476 0.115 5.387 1.00 0.82 C ATOM 636 O LEU A 41 13.937 -0.957 5.032 1.00 0.98 O ATOM 637 CB LEU A 41 12.841 0.945 7.682 1.00 0.95 C ATOM 638 CG LEU A 41 12.153 -0.374 8.065 1.00 1.81 C ATOM 639 CD1 LEU A 41 13.047 -1.183 9.010 1.00 2.20 C ATOM 640 CD2 LEU A 41 10.805 -0.047 8.709 1.00 3.22 C ATOM 0 H LEU A 41 14.094 2.802 6.639 1.00 0.90 H new ATOM 0 HA LEU A 41 14.700 0.028 7.121 1.00 0.90 H new ATOM 0 HB2 LEU A 41 13.228 1.426 8.580 1.00 0.95 H new ATOM 0 HB3 LEU A 41 12.107 1.624 7.248 1.00 0.95 H new ATOM 0 HG LEU A 41 11.984 -0.986 7.179 1.00 1.81 H new ATOM 0 HD11 LEU A 41 12.548 -2.115 9.274 1.00 2.20 H new ATOM 0 HD12 LEU A 41 13.993 -1.405 8.515 1.00 2.20 H new ATOM 0 HD13 LEU A 41 13.238 -0.605 9.914 1.00 2.20 H new ATOM 0 HD21 LEU A 41 10.301 -0.972 8.988 1.00 3.22 H new ATOM 0 HD22 LEU A 41 10.965 0.562 9.599 1.00 3.22 H new ATOM 0 HD23 LEU A 41 10.187 0.503 8.000 1.00 3.22 H new ATOM 652 N VAL A 42 12.543 0.755 4.666 1.00 0.66 N ATOM 653 CA VAL A 42 11.960 0.145 3.473 1.00 0.62 C ATOM 654 C VAL A 42 13.089 -0.282 2.518 1.00 0.68 C ATOM 655 O VAL A 42 13.088 -1.393 1.993 1.00 0.71 O ATOM 656 CB VAL A 42 10.896 1.054 2.812 1.00 0.63 C ATOM 657 CG1 VAL A 42 11.476 2.327 2.182 1.00 2.34 C ATOM 658 CG2 VAL A 42 10.133 0.293 1.725 1.00 2.22 C ATOM 0 H VAL A 42 12.183 1.683 4.889 1.00 0.66 H new ATOM 0 HA VAL A 42 11.411 -0.752 3.758 1.00 0.62 H new ATOM 0 HB VAL A 42 10.232 1.352 3.624 1.00 0.63 H new ATOM 0 HG11 VAL A 42 10.671 2.913 1.739 1.00 2.34 H new ATOM 0 HG12 VAL A 42 11.975 2.918 2.950 1.00 2.34 H new ATOM 0 HG13 VAL A 42 12.195 2.055 1.409 1.00 2.34 H new ATOM 0 HG21 VAL A 42 9.390 0.951 1.274 1.00 2.22 H new ATOM 0 HG22 VAL A 42 10.831 -0.045 0.959 1.00 2.22 H new ATOM 0 HG23 VAL A 42 9.633 -0.569 2.167 1.00 2.22 H new ATOM 668 N THR A 43 14.112 0.565 2.360 1.00 0.73 N ATOM 669 CA THR A 43 15.243 0.271 1.486 1.00 0.89 C ATOM 670 C THR A 43 16.044 -0.947 1.969 1.00 1.00 C ATOM 671 O THR A 43 16.698 -1.599 1.163 1.00 1.27 O ATOM 672 CB THR A 43 16.105 1.535 1.315 1.00 1.12 C ATOM 673 OG1 THR A 43 16.594 1.705 0.001 1.00 1.56 O ATOM 674 CG2 THR A 43 17.275 1.638 2.299 1.00 1.24 C ATOM 0 H THR A 43 14.176 1.467 2.833 1.00 0.73 H new ATOM 0 HA THR A 43 14.867 -0.010 0.502 1.00 0.89 H new ATOM 0 HB THR A 43 15.406 2.340 1.540 1.00 1.12 H new ATOM 0 HG1 THR A 43 17.518 2.030 0.035 1.00 1.56 H new ATOM 0 HG21 THR A 43 17.830 2.557 2.110 1.00 1.24 H new ATOM 0 HG22 THR A 43 16.892 1.649 3.320 1.00 1.24 H new ATOM 0 HG23 THR A 43 17.936 0.781 2.169 1.00 1.24 H new ATOM 682 N GLN A 44 16.017 -1.260 3.270 1.00 0.93 N ATOM 683 CA GLN A 44 16.607 -2.482 3.791 1.00 1.03 C ATOM 684 C GLN A 44 15.651 -3.641 3.523 1.00 1.01 C ATOM 685 O GLN A 44 16.081 -4.656 2.977 1.00 1.18 O ATOM 686 CB GLN A 44 16.940 -2.326 5.285 1.00 1.08 C ATOM 687 CG GLN A 44 17.960 -3.355 5.799 1.00 1.32 C ATOM 688 CD GLN A 44 17.354 -4.679 6.266 1.00 2.39 C ATOM 689 OE1 GLN A 44 17.194 -4.897 7.462 1.00 2.89 O ATOM 690 NE2 GLN A 44 17.046 -5.596 5.355 1.00 3.99 N ATOM 0 H GLN A 44 15.586 -0.671 3.982 1.00 0.93 H new ATOM 0 HA GLN A 44 17.550 -2.693 3.286 1.00 1.03 H new ATOM 0 HB2 GLN A 44 17.329 -1.323 5.459 1.00 1.08 H new ATOM 0 HB3 GLN A 44 16.021 -2.417 5.865 1.00 1.08 H new ATOM 0 HG2 GLN A 44 18.679 -3.560 5.006 1.00 1.32 H new ATOM 0 HG3 GLN A 44 18.515 -2.913 6.627 1.00 1.32 H new ATOM 0 HE21 GLN A 44 17.186 -5.398 4.364 1.00 3.99 H new ATOM 0 HE22 GLN A 44 16.670 -6.498 5.646 1.00 3.99 H new ATOM 699 N GLN A 45 14.383 -3.489 3.927 1.00 0.89 N ATOM 700 CA GLN A 45 13.332 -4.492 3.814 1.00 0.89 C ATOM 701 C GLN A 45 13.385 -5.188 2.464 1.00 0.87 C ATOM 702 O GLN A 45 13.353 -6.408 2.464 1.00 1.24 O ATOM 703 CB GLN A 45 11.937 -3.912 4.128 1.00 0.93 C ATOM 704 CG GLN A 45 11.496 -4.219 5.561 1.00 0.87 C ATOM 705 CD GLN A 45 12.479 -3.904 6.690 1.00 0.99 C ATOM 706 OE1 GLN A 45 13.456 -3.187 6.530 1.00 2.00 O ATOM 707 NE2 GLN A 45 12.231 -4.451 7.878 1.00 1.81 N ATOM 0 H GLN A 45 14.054 -2.625 4.359 1.00 0.89 H new ATOM 0 HA GLN A 45 13.517 -5.251 4.574 1.00 0.89 H new ATOM 0 HB2 GLN A 45 11.951 -2.833 3.977 1.00 0.93 H new ATOM 0 HB3 GLN A 45 11.208 -4.322 3.429 1.00 0.93 H new ATOM 0 HG2 GLN A 45 10.576 -3.668 5.754 1.00 0.87 H new ATOM 0 HG3 GLN A 45 11.250 -5.279 5.616 1.00 0.87 H new ATOM 0 HE21 GLN A 45 11.414 -5.048 8.004 1.00 1.81 H new ATOM 0 HE22 GLN A 45 12.858 -4.273 8.662 1.00 1.81 H new ATOM 716 N LEU A 46 13.526 -4.432 1.367 1.00 0.74 N ATOM 717 CA LEU A 46 13.620 -4.972 0.012 1.00 0.87 C ATOM 718 C LEU A 46 15.064 -5.316 -0.423 1.00 0.98 C ATOM 719 O LEU A 46 15.617 -4.554 -1.209 1.00 1.16 O ATOM 720 CB LEU A 46 13.055 -3.925 -0.979 1.00 1.00 C ATOM 721 CG LEU A 46 11.550 -3.661 -0.849 1.00 1.06 C ATOM 722 CD1 LEU A 46 11.166 -2.447 0.003 1.00 1.21 C ATOM 723 CD2 LEU A 46 10.899 -3.520 -2.229 1.00 1.61 C ATOM 0 H LEU A 46 13.578 -3.414 1.401 1.00 0.74 H new ATOM 0 HA LEU A 46 13.051 -5.901 0.005 1.00 0.87 H new ATOM 0 HB2 LEU A 46 13.588 -2.985 -0.835 1.00 1.00 H new ATOM 0 HB3 LEU A 46 13.264 -4.258 -1.996 1.00 1.00 H new ATOM 0 HG LEU A 46 11.174 -4.537 -0.321 1.00 1.06 H new ATOM 0 HD11 LEU A 46 10.081 -2.350 0.030 1.00 1.21 H new ATOM 0 HD12 LEU A 46 11.544 -2.580 1.017 1.00 1.21 H new ATOM 0 HD13 LEU A 46 11.600 -1.546 -0.431 1.00 1.21 H new ATOM 0 HD21 LEU A 46 9.832 -3.333 -2.110 1.00 1.61 H new ATOM 0 HD22 LEU A 46 11.356 -2.687 -2.763 1.00 1.61 H new ATOM 0 HD23 LEU A 46 11.046 -4.439 -2.796 1.00 1.61 H new ATOM 735 N PRO A 47 15.693 -6.461 -0.089 1.00 1.00 N ATOM 736 CA PRO A 47 17.014 -6.823 -0.606 1.00 1.11 C ATOM 737 C PRO A 47 16.912 -7.358 -2.043 1.00 1.13 C ATOM 738 O PRO A 47 17.484 -8.397 -2.367 1.00 1.49 O ATOM 739 CB PRO A 47 17.503 -7.922 0.340 1.00 1.28 C ATOM 740 CG PRO A 47 16.204 -8.683 0.580 1.00 1.24 C ATOM 741 CD PRO A 47 15.226 -7.532 0.766 1.00 1.07 C ATOM 0 HA PRO A 47 17.691 -5.969 -0.644 1.00 1.11 H new ATOM 0 HB2 PRO A 47 18.272 -8.547 -0.114 1.00 1.28 H new ATOM 0 HB3 PRO A 47 17.923 -7.519 1.261 1.00 1.28 H new ATOM 0 HG2 PRO A 47 15.937 -9.320 -0.263 1.00 1.24 H new ATOM 0 HG3 PRO A 47 16.258 -9.325 1.459 1.00 1.24 H new ATOM 0 HD2 PRO A 47 14.214 -7.833 0.494 1.00 1.07 H new ATOM 0 HD3 PRO A 47 15.195 -7.213 1.808 1.00 1.07 H new ATOM 749 N HIS A 48 16.145 -6.686 -2.901 1.00 1.11 N ATOM 750 CA HIS A 48 16.042 -7.033 -4.305 1.00 1.21 C ATOM 751 C HIS A 48 17.244 -6.405 -5.027 1.00 1.45 C ATOM 752 O HIS A 48 18.388 -6.600 -4.624 1.00 2.59 O ATOM 753 CB HIS A 48 14.680 -6.567 -4.822 1.00 1.34 C ATOM 754 CG HIS A 48 13.550 -7.239 -4.090 1.00 2.25 C ATOM 755 ND1 HIS A 48 13.589 -8.481 -3.492 1.00 3.30 N ATOM 756 CD2 HIS A 48 12.298 -6.725 -3.905 1.00 3.46 C ATOM 757 CE1 HIS A 48 12.379 -8.710 -2.966 1.00 4.73 C ATOM 758 NE2 HIS A 48 11.561 -7.667 -3.190 1.00 4.92 N ATOM 0 H HIS A 48 15.577 -5.882 -2.633 1.00 1.11 H new ATOM 0 HA HIS A 48 16.084 -8.107 -4.486 1.00 1.21 H new ATOM 0 HB2 HIS A 48 14.597 -5.486 -4.707 1.00 1.34 H new ATOM 0 HB3 HIS A 48 14.602 -6.781 -5.888 1.00 1.34 H new ATOM 0 HD1 HIS A 48 14.392 -9.109 -3.457 1.00 3.30 H new ATOM 0 HD2 HIS A 48 11.944 -5.765 -4.250 1.00 3.46 H new ATOM 0 HE1 HIS A 48 12.099 -9.608 -2.435 1.00 4.73 H new ATOM 766 N LEU A 49 16.999 -5.602 -6.069 1.00 1.10 N ATOM 767 CA LEU A 49 18.055 -4.883 -6.773 1.00 1.14 C ATOM 768 C LEU A 49 18.377 -3.555 -6.069 1.00 1.17 C ATOM 769 O LEU A 49 19.530 -3.139 -6.060 1.00 1.29 O ATOM 770 CB LEU A 49 17.662 -4.684 -8.248 1.00 1.15 C ATOM 771 CG LEU A 49 18.802 -5.027 -9.223 1.00 1.50 C ATOM 772 CD1 LEU A 49 18.287 -4.932 -10.664 1.00 2.17 C ATOM 773 CD2 LEU A 49 20.019 -4.109 -9.059 1.00 2.71 C ATOM 0 H LEU A 49 16.065 -5.436 -6.443 1.00 1.10 H new ATOM 0 HA LEU A 49 18.969 -5.477 -6.752 1.00 1.14 H new ATOM 0 HB2 LEU A 49 16.797 -5.307 -8.475 1.00 1.15 H new ATOM 0 HB3 LEU A 49 17.359 -3.648 -8.401 1.00 1.15 H new ATOM 0 HG LEU A 49 19.127 -6.042 -8.994 1.00 1.50 H new ATOM 0 HD11 LEU A 49 19.094 -5.175 -11.355 1.00 2.17 H new ATOM 0 HD12 LEU A 49 17.465 -5.635 -10.804 1.00 2.17 H new ATOM 0 HD13 LEU A 49 17.935 -3.919 -10.859 1.00 2.17 H new ATOM 0 HD21 LEU A 49 20.791 -4.398 -9.772 1.00 2.71 H new ATOM 0 HD22 LEU A 49 19.723 -3.076 -9.243 1.00 2.71 H new ATOM 0 HD23 LEU A 49 20.409 -4.200 -8.045 1.00 2.71 H new ATOM 785 N LEU A 50 17.360 -2.886 -5.502 1.00 1.23 N ATOM 786 CA LEU A 50 17.476 -1.577 -4.857 1.00 1.42 C ATOM 787 C LEU A 50 18.153 -0.599 -5.801 1.00 1.41 C ATOM 788 O LEU A 50 19.239 -0.085 -5.546 1.00 1.60 O ATOM 789 CB LEU A 50 18.208 -1.680 -3.520 1.00 1.75 C ATOM 790 CG LEU A 50 17.359 -2.434 -2.495 1.00 2.00 C ATOM 791 CD1 LEU A 50 18.295 -2.907 -1.385 1.00 4.00 C ATOM 792 CD2 LEU A 50 16.243 -1.535 -1.944 1.00 2.33 C ATOM 0 H LEU A 50 16.409 -3.255 -5.481 1.00 1.23 H new ATOM 0 HA LEU A 50 16.477 -1.202 -4.636 1.00 1.42 H new ATOM 0 HB2 LEU A 50 19.159 -2.193 -3.659 1.00 1.75 H new ATOM 0 HB3 LEU A 50 18.436 -0.682 -3.147 1.00 1.75 H new ATOM 0 HG LEU A 50 16.868 -3.290 -2.958 1.00 2.00 H new ATOM 0 HD11 LEU A 50 17.723 -3.451 -0.633 1.00 4.00 H new ATOM 0 HD12 LEU A 50 19.056 -3.564 -1.806 1.00 4.00 H new ATOM 0 HD13 LEU A 50 18.775 -2.045 -0.922 1.00 4.00 H new ATOM 0 HD21 LEU A 50 15.652 -2.092 -1.217 1.00 2.33 H new ATOM 0 HD22 LEU A 50 16.684 -0.663 -1.461 1.00 2.33 H new ATOM 0 HD23 LEU A 50 15.600 -1.211 -2.762 1.00 2.33 H new ATOM 804 N LYS A 51 17.502 -0.400 -6.943 1.00 1.29 N ATOM 805 CA LYS A 51 18.077 0.398 -8.005 1.00 1.40 C ATOM 806 C LYS A 51 17.876 1.894 -7.749 1.00 1.52 C ATOM 807 O LYS A 51 18.689 2.687 -8.213 1.00 1.63 O ATOM 808 CB LYS A 51 17.555 -0.102 -9.351 1.00 1.39 C ATOM 809 CG LYS A 51 16.042 0.089 -9.485 1.00 1.32 C ATOM 810 CD LYS A 51 15.709 1.365 -10.271 1.00 1.48 C ATOM 811 CE LYS A 51 15.598 1.098 -11.777 1.00 1.66 C ATOM 812 NZ LYS A 51 16.916 0.826 -12.387 1.00 2.37 N ATOM 0 H LYS A 51 16.579 -0.782 -7.150 1.00 1.29 H new ATOM 0 HA LYS A 51 19.160 0.275 -8.030 1.00 1.40 H new ATOM 0 HB2 LYS A 51 18.061 0.430 -10.157 1.00 1.39 H new ATOM 0 HB3 LYS A 51 17.799 -1.158 -9.465 1.00 1.39 H new ATOM 0 HG2 LYS A 51 15.607 -0.775 -9.988 1.00 1.32 H new ATOM 0 HG3 LYS A 51 15.591 0.141 -8.494 1.00 1.32 H new ATOM 0 HD2 LYS A 51 14.770 1.781 -9.906 1.00 1.48 H new ATOM 0 HD3 LYS A 51 16.481 2.114 -10.091 1.00 1.48 H new ATOM 0 HE2 LYS A 51 14.937 0.248 -11.947 1.00 1.66 H new ATOM 0 HE3 LYS A 51 15.143 1.959 -12.266 1.00 1.66 H new ATOM 0 HZ1 LYS A 51 16.831 0.852 -13.423 1.00 2.37 H new ATOM 0 HZ2 LYS A 51 17.598 1.548 -12.077 1.00 2.37 H new ATOM 0 HZ3 LYS A 51 17.248 -0.114 -12.091 1.00 2.37 H new ATOM 826 N ASP A 52 16.793 2.261 -7.049 1.00 1.58 N ATOM 827 CA ASP A 52 16.478 3.602 -6.573 1.00 1.62 C ATOM 828 C ASP A 52 16.535 4.624 -7.713 1.00 1.30 C ATOM 829 O ASP A 52 17.538 5.311 -7.890 1.00 1.33 O ATOM 830 CB ASP A 52 17.350 3.999 -5.371 1.00 2.03 C ATOM 831 CG ASP A 52 16.814 3.617 -3.990 1.00 2.51 C ATOM 832 OD1 ASP A 52 15.957 4.362 -3.457 1.00 3.12 O ATOM 833 OD2 ASP A 52 17.351 2.680 -3.369 1.00 3.33 O ATOM 0 H ASP A 52 16.076 1.585 -6.788 1.00 1.58 H new ATOM 0 HA ASP A 52 15.450 3.595 -6.211 1.00 1.62 H new ATOM 0 HB2 ASP A 52 18.332 3.543 -5.495 1.00 2.03 H new ATOM 0 HB3 ASP A 52 17.495 5.079 -5.395 1.00 2.03 H new ATOM 838 N VAL A 53 15.438 4.777 -8.470 1.00 1.26 N ATOM 839 CA VAL A 53 15.313 5.873 -9.419 1.00 1.19 C ATOM 840 C VAL A 53 13.912 6.471 -9.409 1.00 1.22 C ATOM 841 O VAL A 53 12.938 5.728 -9.304 1.00 1.73 O ATOM 842 CB VAL A 53 15.792 5.442 -10.816 1.00 1.65 C ATOM 843 CG1 VAL A 53 14.720 4.672 -11.598 1.00 2.00 C ATOM 844 CG2 VAL A 53 16.228 6.666 -11.624 1.00 2.21 C ATOM 0 H VAL A 53 14.632 4.153 -8.437 1.00 1.26 H new ATOM 0 HA VAL A 53 15.972 6.682 -9.104 1.00 1.19 H new ATOM 0 HB VAL A 53 16.636 4.769 -10.665 1.00 1.65 H new ATOM 0 HG11 VAL A 53 15.113 4.393 -12.576 1.00 2.00 H new ATOM 0 HG12 VAL A 53 14.444 3.772 -11.048 1.00 2.00 H new ATOM 0 HG13 VAL A 53 13.840 5.303 -11.727 1.00 2.00 H new ATOM 0 HG21 VAL A 53 16.565 6.349 -12.611 1.00 2.21 H new ATOM 0 HG22 VAL A 53 15.386 7.350 -11.730 1.00 2.21 H new ATOM 0 HG23 VAL A 53 17.044 7.172 -11.107 1.00 2.21 H new ATOM 854 N GLY A 54 13.826 7.807 -9.506 1.00 1.25 N ATOM 855 CA GLY A 54 12.595 8.584 -9.623 1.00 1.49 C ATOM 856 C GLY A 54 11.801 8.599 -8.319 1.00 1.58 C ATOM 857 O GLY A 54 11.638 9.631 -7.671 1.00 1.71 O ATOM 0 H GLY A 54 14.657 8.398 -9.504 1.00 1.25 H new ATOM 0 HA2 GLY A 54 12.838 9.607 -9.911 1.00 1.49 H new ATOM 0 HA3 GLY A 54 11.977 8.167 -10.419 1.00 1.49 H new ATOM 861 N SER A 55 11.337 7.420 -7.923 1.00 1.71 N ATOM 862 CA SER A 55 10.665 7.181 -6.668 1.00 2.01 C ATOM 863 C SER A 55 11.633 7.549 -5.542 1.00 1.51 C ATOM 864 O SER A 55 11.311 8.327 -4.650 1.00 1.24 O ATOM 865 CB SER A 55 10.337 5.699 -6.643 1.00 2.75 C ATOM 866 OG SER A 55 9.450 5.388 -7.701 1.00 3.31 O ATOM 0 H SER A 55 11.425 6.579 -8.493 1.00 1.71 H new ATOM 0 HA SER A 55 9.755 7.769 -6.547 1.00 2.01 H new ATOM 0 HB2 SER A 55 11.251 5.113 -6.738 1.00 2.75 H new ATOM 0 HB3 SER A 55 9.886 5.433 -5.687 1.00 2.75 H new ATOM 0 HG SER A 55 8.826 4.690 -7.411 1.00 3.31 H new ATOM 872 N LEU A 56 12.871 7.042 -5.660 1.00 1.42 N ATOM 873 CA LEU A 56 13.998 7.426 -4.820 1.00 1.16 C ATOM 874 C LEU A 56 13.933 8.914 -4.549 1.00 1.01 C ATOM 875 O LEU A 56 13.899 9.326 -3.398 1.00 0.94 O ATOM 876 CB LEU A 56 15.317 7.125 -5.570 1.00 1.03 C ATOM 877 CG LEU A 56 16.541 7.974 -5.133 1.00 1.38 C ATOM 878 CD1 LEU A 56 16.894 7.724 -3.670 1.00 2.12 C ATOM 879 CD2 LEU A 56 17.775 7.812 -6.030 1.00 3.17 C ATOM 0 H LEU A 56 13.113 6.340 -6.359 1.00 1.42 H new ATOM 0 HA LEU A 56 13.959 6.869 -3.884 1.00 1.16 H new ATOM 0 HB2 LEU A 56 15.560 6.071 -5.434 1.00 1.03 H new ATOM 0 HB3 LEU A 56 15.152 7.279 -6.636 1.00 1.03 H new ATOM 0 HG LEU A 56 16.227 9.011 -5.251 1.00 1.38 H new ATOM 0 HD11 LEU A 56 17.755 8.333 -3.394 1.00 2.12 H new ATOM 0 HD12 LEU A 56 16.045 7.990 -3.040 1.00 2.12 H new ATOM 0 HD13 LEU A 56 17.135 6.670 -3.529 1.00 2.12 H new ATOM 0 HD21 LEU A 56 18.583 8.439 -5.654 1.00 3.17 H new ATOM 0 HD22 LEU A 56 18.093 6.769 -6.026 1.00 3.17 H new ATOM 0 HD23 LEU A 56 17.527 8.112 -7.048 1.00 3.17 H new ATOM 891 N ASP A 57 13.950 9.687 -5.631 1.00 1.13 N ATOM 892 CA ASP A 57 14.012 11.141 -5.554 1.00 1.22 C ATOM 893 C ASP A 57 12.843 11.677 -4.729 1.00 1.26 C ATOM 894 O ASP A 57 13.081 12.302 -3.697 1.00 1.21 O ATOM 895 CB ASP A 57 14.102 11.812 -6.932 1.00 1.49 C ATOM 896 CG ASP A 57 14.029 13.328 -6.778 1.00 2.00 C ATOM 897 OD1 ASP A 57 14.508 13.853 -5.749 1.00 2.74 O ATOM 898 OD2 ASP A 57 13.381 13.998 -7.610 1.00 2.68 O ATOM 0 H ASP A 57 13.921 9.323 -6.583 1.00 1.13 H new ATOM 0 HA ASP A 57 14.940 11.401 -5.045 1.00 1.22 H new ATOM 0 HB2 ASP A 57 15.035 11.532 -7.422 1.00 1.49 H new ATOM 0 HB3 ASP A 57 13.290 11.463 -7.570 1.00 1.49 H new ATOM 903 N GLU A 58 11.599 11.411 -5.148 1.00 1.41 N ATOM 904 CA GLU A 58 10.396 11.757 -4.382 1.00 1.58 C ATOM 905 C GLU A 58 10.588 11.495 -2.886 1.00 1.36 C ATOM 906 O GLU A 58 10.355 12.373 -2.047 1.00 1.37 O ATOM 907 CB GLU A 58 9.172 11.008 -4.929 1.00 1.88 C ATOM 908 CG GLU A 58 8.588 11.703 -6.168 1.00 2.16 C ATOM 909 CD GLU A 58 7.837 12.979 -5.793 1.00 2.65 C ATOM 910 OE1 GLU A 58 6.657 12.848 -5.398 1.00 3.62 O ATOM 911 OE2 GLU A 58 8.462 14.059 -5.883 1.00 3.41 O ATOM 0 H GLU A 58 11.398 10.947 -6.034 1.00 1.41 H new ATOM 0 HA GLU A 58 10.219 12.826 -4.500 1.00 1.58 H new ATOM 0 HB2 GLU A 58 9.454 9.987 -5.184 1.00 1.88 H new ATOM 0 HB3 GLU A 58 8.408 10.944 -4.154 1.00 1.88 H new ATOM 0 HG2 GLU A 58 9.392 11.944 -6.864 1.00 2.16 H new ATOM 0 HG3 GLU A 58 7.913 11.021 -6.685 1.00 2.16 H new ATOM 918 N LYS A 59 11.061 10.302 -2.542 1.00 1.22 N ATOM 919 CA LYS A 59 11.223 9.937 -1.152 1.00 1.12 C ATOM 920 C LYS A 59 12.348 10.727 -0.493 1.00 0.86 C ATOM 921 O LYS A 59 12.168 11.268 0.590 1.00 0.84 O ATOM 922 CB LYS A 59 11.376 8.411 -1.023 1.00 1.28 C ATOM 923 CG LYS A 59 10.432 7.894 0.068 1.00 1.38 C ATOM 924 CD LYS A 59 9.821 6.507 -0.159 1.00 1.44 C ATOM 925 CE LYS A 59 10.759 5.334 -0.387 1.00 1.55 C ATOM 926 NZ LYS A 59 11.330 5.355 -1.751 1.00 1.61 N ATOM 0 H LYS A 59 11.336 9.579 -3.207 1.00 1.22 H new ATOM 0 HA LYS A 59 10.324 10.211 -0.600 1.00 1.12 H new ATOM 0 HB2 LYS A 59 11.148 7.930 -1.974 1.00 1.28 H new ATOM 0 HB3 LYS A 59 12.407 8.158 -0.777 1.00 1.28 H new ATOM 0 HG2 LYS A 59 10.978 7.876 1.011 1.00 1.38 H new ATOM 0 HG3 LYS A 59 9.619 8.611 0.183 1.00 1.38 H new ATOM 0 HD2 LYS A 59 9.200 6.272 0.705 1.00 1.44 H new ATOM 0 HD3 LYS A 59 9.157 6.574 -1.021 1.00 1.44 H new ATOM 0 HE2 LYS A 59 11.565 5.363 0.347 1.00 1.55 H new ATOM 0 HE3 LYS A 59 10.220 4.400 -0.231 1.00 1.55 H new ATOM 0 HZ1 LYS A 59 11.842 4.467 -1.927 1.00 1.61 H new ATOM 0 HZ2 LYS A 59 10.564 5.457 -2.447 1.00 1.61 H new ATOM 0 HZ3 LYS A 59 11.987 6.156 -1.840 1.00 1.61 H new ATOM 940 N MET A 60 13.502 10.814 -1.144 1.00 0.74 N ATOM 941 CA MET A 60 14.665 11.542 -0.672 1.00 0.67 C ATOM 942 C MET A 60 14.297 12.995 -0.373 1.00 0.73 C ATOM 943 O MET A 60 14.617 13.487 0.705 1.00 0.81 O ATOM 944 CB MET A 60 15.798 11.422 -1.700 1.00 0.75 C ATOM 945 CG MET A 60 17.105 12.037 -1.190 1.00 1.01 C ATOM 946 SD MET A 60 18.518 11.775 -2.291 1.00 1.54 S ATOM 947 CE MET A 60 19.809 12.608 -1.343 1.00 2.45 C ATOM 0 H MET A 60 13.655 10.363 -2.046 1.00 0.74 H new ATOM 0 HA MET A 60 15.020 11.109 0.263 1.00 0.67 H new ATOM 0 HB2 MET A 60 15.961 10.371 -1.938 1.00 0.75 H new ATOM 0 HB3 MET A 60 15.502 11.916 -2.625 1.00 0.75 H new ATOM 0 HG2 MET A 60 16.960 13.108 -1.049 1.00 1.01 H new ATOM 0 HG3 MET A 60 17.336 11.615 -0.212 1.00 1.01 H new ATOM 0 HE1 MET A 60 20.755 12.542 -1.880 1.00 2.45 H new ATOM 0 HE2 MET A 60 19.541 13.656 -1.206 1.00 2.45 H new ATOM 0 HE3 MET A 60 19.911 12.130 -0.369 1.00 2.45 H new ATOM 957 N LYS A 61 13.606 13.676 -1.293 1.00 0.89 N ATOM 958 CA LYS A 61 13.169 15.046 -1.043 1.00 1.12 C ATOM 959 C LYS A 61 12.192 15.073 0.141 1.00 1.06 C ATOM 960 O LYS A 61 12.335 15.877 1.059 1.00 1.15 O ATOM 961 CB LYS A 61 12.633 15.727 -2.318 1.00 1.42 C ATOM 962 CG LYS A 61 11.390 15.052 -2.911 1.00 2.11 C ATOM 963 CD LYS A 61 10.742 15.794 -4.077 1.00 2.36 C ATOM 964 CE LYS A 61 11.247 15.440 -5.489 1.00 2.78 C ATOM 965 NZ LYS A 61 12.690 15.651 -5.706 1.00 2.50 N ATOM 0 H LYS A 61 13.342 13.304 -2.205 1.00 0.89 H new ATOM 0 HA LYS A 61 14.031 15.649 -0.757 1.00 1.12 H new ATOM 0 HB2 LYS A 61 12.395 16.766 -2.090 1.00 1.42 H new ATOM 0 HB3 LYS A 61 13.422 15.738 -3.070 1.00 1.42 H new ATOM 0 HG2 LYS A 61 11.664 14.051 -3.245 1.00 2.11 H new ATOM 0 HG3 LYS A 61 10.649 14.932 -2.121 1.00 2.11 H new ATOM 0 HD2 LYS A 61 9.668 15.609 -4.043 1.00 2.36 H new ATOM 0 HD3 LYS A 61 10.886 16.863 -3.922 1.00 2.36 H new ATOM 0 HE2 LYS A 61 11.014 14.394 -5.690 1.00 2.78 H new ATOM 0 HE3 LYS A 61 10.695 16.036 -6.216 1.00 2.78 H new ATOM 0 HZ1 LYS A 61 12.904 15.568 -6.720 1.00 2.50 H new ATOM 0 HZ2 LYS A 61 12.956 16.599 -5.373 1.00 2.50 H new ATOM 0 HZ3 LYS A 61 13.229 14.935 -5.178 1.00 2.50 H new ATOM 979 N SER A 62 11.212 14.164 0.144 1.00 1.03 N ATOM 980 CA SER A 62 10.285 14.007 1.265 1.00 1.06 C ATOM 981 C SER A 62 11.036 13.896 2.605 1.00 0.89 C ATOM 982 O SER A 62 10.679 14.571 3.570 1.00 1.00 O ATOM 983 CB SER A 62 9.347 12.815 1.026 1.00 1.24 C ATOM 984 OG SER A 62 8.246 12.857 1.913 1.00 2.31 O ATOM 0 H SER A 62 11.041 13.520 -0.628 1.00 1.03 H new ATOM 0 HA SER A 62 9.668 14.903 1.328 1.00 1.06 H new ATOM 0 HB2 SER A 62 8.991 12.828 -0.004 1.00 1.24 H new ATOM 0 HB3 SER A 62 9.895 11.882 1.163 1.00 1.24 H new ATOM 0 HG SER A 62 7.660 12.090 1.743 1.00 2.31 H new ATOM 990 N LEU A 63 12.097 13.078 2.664 1.00 0.77 N ATOM 991 CA LEU A 63 12.968 13.024 3.831 1.00 0.87 C ATOM 992 C LEU A 63 13.561 14.419 4.063 1.00 1.01 C ATOM 993 O LEU A 63 13.331 15.001 5.121 1.00 1.14 O ATOM 994 CB LEU A 63 14.081 11.951 3.715 1.00 1.08 C ATOM 995 CG LEU A 63 13.757 10.504 4.115 1.00 1.49 C ATOM 996 CD1 LEU A 63 12.732 9.864 3.172 1.00 1.77 C ATOM 997 CD2 LEU A 63 15.092 9.746 4.091 1.00 2.46 C ATOM 0 H LEU A 63 12.367 12.446 1.911 1.00 0.77 H new ATOM 0 HA LEU A 63 12.367 12.722 4.689 1.00 0.87 H new ATOM 0 HB2 LEU A 63 14.422 11.939 2.680 1.00 1.08 H new ATOM 0 HB3 LEU A 63 14.923 12.281 4.324 1.00 1.08 H new ATOM 0 HG LEU A 63 13.300 10.470 5.104 1.00 1.49 H new ATOM 0 HD11 LEU A 63 12.532 8.841 3.492 1.00 1.77 H new ATOM 0 HD12 LEU A 63 11.806 10.439 3.196 1.00 1.77 H new ATOM 0 HD13 LEU A 63 13.127 9.856 2.156 1.00 1.77 H new ATOM 0 HD21 LEU A 63 14.925 8.705 4.369 1.00 2.46 H new ATOM 0 HD22 LEU A 63 15.518 9.790 3.088 1.00 2.46 H new ATOM 0 HD23 LEU A 63 15.783 10.204 4.799 1.00 2.46 H new ATOM 1009 N ASP A 64 14.300 14.953 3.086 1.00 1.11 N ATOM 1010 CA ASP A 64 15.042 16.211 3.195 1.00 1.45 C ATOM 1011 C ASP A 64 14.237 17.288 3.930 1.00 1.52 C ATOM 1012 O ASP A 64 14.721 17.877 4.898 1.00 1.71 O ATOM 1013 CB ASP A 64 15.471 16.687 1.804 1.00 1.62 C ATOM 1014 CG ASP A 64 16.256 17.988 1.886 1.00 2.09 C ATOM 1015 OD1 ASP A 64 17.491 17.896 2.042 1.00 1.97 O ATOM 1016 OD2 ASP A 64 15.603 19.047 1.777 1.00 3.44 O ATOM 0 H ASP A 64 14.401 14.510 2.173 1.00 1.11 H new ATOM 0 HA ASP A 64 15.935 16.027 3.792 1.00 1.45 H new ATOM 0 HB2 ASP A 64 16.081 15.920 1.326 1.00 1.62 H new ATOM 0 HB3 ASP A 64 14.590 16.829 1.178 1.00 1.62 H new ATOM 1021 N VAL A 65 12.985 17.474 3.498 1.00 1.42 N ATOM 1022 CA VAL A 65 12.051 18.459 4.039 1.00 1.63 C ATOM 1023 C VAL A 65 11.973 18.397 5.566 1.00 1.53 C ATOM 1024 O VAL A 65 12.237 19.384 6.255 1.00 1.77 O ATOM 1025 CB VAL A 65 10.662 18.238 3.413 1.00 1.72 C ATOM 1026 CG1 VAL A 65 9.562 19.071 4.082 1.00 2.31 C ATOM 1027 CG2 VAL A 65 10.699 18.608 1.936 1.00 2.27 C ATOM 0 H VAL A 65 12.584 16.924 2.738 1.00 1.42 H new ATOM 0 HA VAL A 65 12.415 19.454 3.783 1.00 1.63 H new ATOM 0 HB VAL A 65 10.425 17.184 3.557 1.00 1.72 H new ATOM 0 HG11 VAL A 65 8.607 18.871 3.596 1.00 2.31 H new ATOM 0 HG12 VAL A 65 9.495 18.805 5.137 1.00 2.31 H new ATOM 0 HG13 VAL A 65 9.801 20.130 3.990 1.00 2.31 H new ATOM 0 HG21 VAL A 65 9.714 18.450 1.497 1.00 2.27 H new ATOM 0 HG22 VAL A 65 10.980 19.656 1.830 1.00 2.27 H new ATOM 0 HG23 VAL A 65 11.430 17.983 1.423 1.00 2.27 H new ATOM 1037 N ASN A 66 11.531 17.257 6.101 1.00 1.27 N ATOM 1038 CA ASN A 66 11.408 17.100 7.555 1.00 1.19 C ATOM 1039 C ASN A 66 11.515 15.650 8.023 1.00 0.98 C ATOM 1040 O ASN A 66 10.630 15.126 8.700 1.00 0.95 O ATOM 1041 CB ASN A 66 10.137 17.806 8.081 1.00 1.29 C ATOM 1042 CG ASN A 66 10.477 18.781 9.202 1.00 1.67 C ATOM 1043 OD1 ASN A 66 10.009 18.638 10.326 1.00 2.90 O ATOM 1044 ND2 ASN A 66 11.293 19.785 8.896 1.00 2.07 N ATOM 0 H ASN A 66 11.255 16.438 5.559 1.00 1.27 H new ATOM 0 HA ASN A 66 12.270 17.598 7.999 1.00 1.19 H new ATOM 0 HB2 ASN A 66 9.650 18.340 7.265 1.00 1.29 H new ATOM 0 HB3 ASN A 66 9.428 17.062 8.444 1.00 1.29 H new ATOM 0 HD21 ASN A 66 11.549 20.469 9.608 1.00 2.07 H new ATOM 0 HD22 ASN A 66 11.663 19.871 7.949 1.00 2.07 H new ATOM 1051 N GLN A 67 12.643 15.009 7.714 1.00 0.94 N ATOM 1052 CA GLN A 67 12.791 13.579 7.896 1.00 0.92 C ATOM 1053 C GLN A 67 12.572 13.083 9.325 1.00 1.00 C ATOM 1054 O GLN A 67 12.221 11.920 9.534 1.00 1.12 O ATOM 1055 CB GLN A 67 14.142 13.070 7.394 1.00 1.04 C ATOM 1056 CG GLN A 67 15.355 13.891 7.871 1.00 1.20 C ATOM 1057 CD GLN A 67 15.737 14.965 6.855 1.00 2.28 C ATOM 1058 OE1 GLN A 67 16.357 14.649 5.845 1.00 3.08 O ATOM 1059 NE2 GLN A 67 15.357 16.219 7.092 1.00 2.90 N ATOM 0 H GLN A 67 13.470 15.470 7.334 1.00 0.94 H new ATOM 0 HA GLN A 67 11.986 13.164 7.290 1.00 0.92 H new ATOM 0 HB2 GLN A 67 14.269 12.037 7.718 1.00 1.04 H new ATOM 0 HB3 GLN A 67 14.131 13.063 6.304 1.00 1.04 H new ATOM 0 HG2 GLN A 67 15.125 14.359 8.828 1.00 1.20 H new ATOM 0 HG3 GLN A 67 16.203 13.227 8.036 1.00 1.20 H new ATOM 0 HE21 GLN A 67 14.843 16.444 7.944 1.00 2.90 H new ATOM 0 HE22 GLN A 67 15.580 16.955 6.422 1.00 2.90 H new ATOM 1068 N ASP A 68 12.851 13.956 10.290 1.00 1.04 N ATOM 1069 CA ASP A 68 12.672 13.700 11.706 1.00 1.15 C ATOM 1070 C ASP A 68 11.214 13.383 12.047 1.00 1.27 C ATOM 1071 O ASP A 68 10.944 12.583 12.941 1.00 1.57 O ATOM 1072 CB ASP A 68 13.166 14.932 12.468 1.00 1.22 C ATOM 1073 CG ASP A 68 12.991 14.766 13.969 1.00 2.05 C ATOM 1074 OD1 ASP A 68 13.846 14.071 14.557 1.00 2.79 O ATOM 1075 OD2 ASP A 68 12.022 15.355 14.491 1.00 2.94 O ATOM 0 H ASP A 68 13.219 14.887 10.096 1.00 1.04 H new ATOM 0 HA ASP A 68 13.247 12.821 11.997 1.00 1.15 H new ATOM 0 HB2 ASP A 68 14.218 15.104 12.240 1.00 1.22 H new ATOM 0 HB3 ASP A 68 12.619 15.813 12.132 1.00 1.22 H new ATOM 1080 N SER A 69 10.275 13.998 11.319 1.00 1.14 N ATOM 1081 CA SER A 69 8.852 13.830 11.566 1.00 1.27 C ATOM 1082 C SER A 69 8.453 12.350 11.530 1.00 1.41 C ATOM 1083 O SER A 69 9.086 11.542 10.844 1.00 2.51 O ATOM 1084 CB SER A 69 8.058 14.646 10.541 1.00 1.25 C ATOM 1085 OG SER A 69 6.684 14.663 10.882 1.00 2.44 O ATOM 0 H SER A 69 10.488 14.625 10.543 1.00 1.14 H new ATOM 0 HA SER A 69 8.620 14.198 12.566 1.00 1.27 H new ATOM 0 HB2 SER A 69 8.442 15.665 10.502 1.00 1.25 H new ATOM 0 HB3 SER A 69 8.187 14.218 9.547 1.00 1.25 H new ATOM 0 HG SER A 69 6.189 15.189 10.220 1.00 2.44 H new ATOM 1091 N GLU A 70 7.376 12.011 12.249 1.00 1.00 N ATOM 1092 CA GLU A 70 6.800 10.674 12.203 1.00 0.97 C ATOM 1093 C GLU A 70 5.733 10.578 11.124 1.00 1.14 C ATOM 1094 O GLU A 70 4.839 11.419 10.996 1.00 1.74 O ATOM 1095 CB GLU A 70 6.321 10.109 13.557 1.00 1.09 C ATOM 1096 CG GLU A 70 7.335 9.107 14.152 1.00 2.41 C ATOM 1097 CD GLU A 70 6.699 8.020 15.022 1.00 3.61 C ATOM 1098 OE1 GLU A 70 5.754 8.361 15.764 1.00 3.74 O ATOM 1099 OE2 GLU A 70 7.161 6.857 14.919 1.00 5.01 O ATOM 0 H GLU A 70 6.887 12.654 12.872 1.00 1.00 H new ATOM 0 HA GLU A 70 7.628 10.018 11.935 1.00 0.97 H new ATOM 0 HB2 GLU A 70 6.166 10.929 14.258 1.00 1.09 H new ATOM 0 HB3 GLU A 70 5.358 9.616 13.425 1.00 1.09 H new ATOM 0 HG2 GLU A 70 7.882 8.632 13.337 1.00 2.41 H new ATOM 0 HG3 GLU A 70 8.064 9.655 14.749 1.00 2.41 H new ATOM 1106 N LEU A 71 5.800 9.472 10.395 1.00 0.97 N ATOM 1107 CA LEU A 71 4.844 9.138 9.370 1.00 1.05 C ATOM 1108 C LEU A 71 3.635 8.566 10.091 1.00 1.00 C ATOM 1109 O LEU A 71 3.694 8.227 11.272 1.00 1.05 O ATOM 1110 CB LEU A 71 5.432 8.063 8.445 1.00 1.35 C ATOM 1111 CG LEU A 71 6.674 8.509 7.664 1.00 1.16 C ATOM 1112 CD1 LEU A 71 7.278 7.275 6.989 1.00 1.67 C ATOM 1113 CD2 LEU A 71 6.305 9.543 6.596 1.00 2.79 C ATOM 0 H LEU A 71 6.536 8.775 10.508 1.00 0.97 H new ATOM 0 HA LEU A 71 4.585 10.009 8.768 1.00 1.05 H new ATOM 0 HB2 LEU A 71 5.688 7.188 9.042 1.00 1.35 H new ATOM 0 HB3 LEU A 71 4.665 7.752 7.736 1.00 1.35 H new ATOM 0 HG LEU A 71 7.388 8.968 8.348 1.00 1.16 H new ATOM 0 HD11 LEU A 71 8.165 7.566 6.426 1.00 1.67 H new ATOM 0 HD12 LEU A 71 7.554 6.543 7.748 1.00 1.67 H new ATOM 0 HD13 LEU A 71 6.546 6.836 6.312 1.00 1.67 H new ATOM 0 HD21 LEU A 71 7.202 9.844 6.055 1.00 2.79 H new ATOM 0 HD22 LEU A 71 5.590 9.106 5.898 1.00 2.79 H new ATOM 0 HD23 LEU A 71 5.859 10.416 7.073 1.00 2.79 H new ATOM 1125 N LYS A 72 2.522 8.471 9.378 1.00 1.00 N ATOM 1126 CA LYS A 72 1.393 7.667 9.797 1.00 0.93 C ATOM 1127 C LYS A 72 1.139 6.694 8.650 1.00 0.79 C ATOM 1128 O LYS A 72 1.716 6.859 7.570 1.00 0.73 O ATOM 1129 CB LYS A 72 0.189 8.567 10.118 1.00 1.11 C ATOM 1130 CG LYS A 72 0.511 9.588 11.234 1.00 1.22 C ATOM 1131 CD LYS A 72 0.251 11.050 10.830 1.00 1.69 C ATOM 1132 CE LYS A 72 1.100 11.552 9.648 1.00 2.89 C ATOM 1133 NZ LYS A 72 2.472 11.990 9.994 1.00 3.17 N ATOM 0 H LYS A 72 2.380 8.953 8.490 1.00 1.00 H new ATOM 0 HA LYS A 72 1.581 7.112 10.716 1.00 0.93 H new ATOM 0 HB2 LYS A 72 -0.117 9.099 9.217 1.00 1.11 H new ATOM 0 HB3 LYS A 72 -0.655 7.949 10.425 1.00 1.11 H new ATOM 0 HG2 LYS A 72 -0.087 9.352 12.114 1.00 1.22 H new ATOM 0 HG3 LYS A 72 1.557 9.480 11.522 1.00 1.22 H new ATOM 0 HD2 LYS A 72 -0.803 11.160 10.575 1.00 1.69 H new ATOM 0 HD3 LYS A 72 0.439 11.690 11.692 1.00 1.69 H new ATOM 0 HE2 LYS A 72 1.167 10.756 8.906 1.00 2.89 H new ATOM 0 HE3 LYS A 72 0.579 12.385 9.176 1.00 2.89 H new ATOM 0 HZ1 LYS A 72 3.016 12.148 9.122 1.00 3.17 H new ATOM 0 HZ2 LYS A 72 2.427 12.875 10.539 1.00 3.17 H new ATOM 0 HZ3 LYS A 72 2.937 11.256 10.565 1.00 3.17 H new ATOM 1147 N PHE A 73 0.277 5.702 8.882 1.00 0.81 N ATOM 1148 CA PHE A 73 -0.147 4.708 7.897 1.00 0.81 C ATOM 1149 C PHE A 73 -0.348 5.350 6.519 1.00 0.66 C ATOM 1150 O PHE A 73 0.136 4.832 5.518 1.00 0.60 O ATOM 1151 CB PHE A 73 -1.419 3.992 8.394 1.00 1.01 C ATOM 1152 CG PHE A 73 -2.383 4.878 9.167 1.00 1.01 C ATOM 1153 CD1 PHE A 73 -3.199 5.797 8.480 1.00 2.43 C ATOM 1154 CD2 PHE A 73 -2.291 4.950 10.572 1.00 2.10 C ATOM 1155 CE1 PHE A 73 -3.725 6.907 9.161 1.00 3.08 C ATOM 1156 CE2 PHE A 73 -2.910 6.005 11.264 1.00 2.65 C ATOM 1157 CZ PHE A 73 -3.586 7.010 10.554 1.00 2.70 C ATOM 0 H PHE A 73 -0.160 5.565 9.793 1.00 0.81 H new ATOM 0 HA PHE A 73 0.638 3.961 7.782 1.00 0.81 H new ATOM 0 HB2 PHE A 73 -1.942 3.571 7.535 1.00 1.01 H new ATOM 0 HB3 PHE A 73 -1.125 3.156 9.029 1.00 1.01 H new ATOM 0 HD1 PHE A 73 -3.420 5.649 7.433 1.00 2.43 H new ATOM 0 HD2 PHE A 73 -1.745 4.194 11.117 1.00 2.10 H new ATOM 0 HE1 PHE A 73 -4.237 7.683 8.612 1.00 3.08 H new ATOM 0 HE2 PHE A 73 -2.866 6.043 12.342 1.00 2.65 H new ATOM 0 HZ PHE A 73 -3.998 7.860 11.078 1.00 2.70 H new ATOM 1167 N ASN A 74 -1.018 6.505 6.492 1.00 0.67 N ATOM 1168 CA ASN A 74 -1.305 7.300 5.306 1.00 0.72 C ATOM 1169 C ASN A 74 -0.051 7.581 4.481 1.00 0.59 C ATOM 1170 O ASN A 74 -0.074 7.460 3.256 1.00 0.67 O ATOM 1171 CB ASN A 74 -1.905 8.638 5.761 1.00 1.02 C ATOM 1172 CG ASN A 74 -2.545 9.479 4.654 1.00 1.84 C ATOM 1173 OD1 ASN A 74 -3.257 10.429 4.975 1.00 2.79 O ATOM 1174 ND2 ASN A 74 -2.372 9.153 3.377 1.00 3.07 N ATOM 0 H ASN A 74 -1.392 6.928 7.342 1.00 0.67 H new ATOM 0 HA ASN A 74 -1.996 6.739 4.677 1.00 0.72 H new ATOM 0 HB2 ASN A 74 -2.657 8.439 6.524 1.00 1.02 H new ATOM 0 HB3 ASN A 74 -1.119 9.227 6.234 1.00 1.02 H new ATOM 0 HD21 ASN A 74 -2.833 9.694 2.646 1.00 3.07 H new ATOM 0 HD22 ASN A 74 -1.778 8.362 3.129 1.00 3.07 H new ATOM 1181 N GLU A 75 0.997 8.054 5.157 1.00 0.59 N ATOM 1182 CA GLU A 75 2.219 8.520 4.532 1.00 0.61 C ATOM 1183 C GLU A 75 3.117 7.332 4.202 1.00 0.59 C ATOM 1184 O GLU A 75 3.627 7.235 3.085 1.00 0.63 O ATOM 1185 CB GLU A 75 2.900 9.564 5.417 1.00 0.69 C ATOM 1186 CG GLU A 75 1.940 10.718 5.729 1.00 1.53 C ATOM 1187 CD GLU A 75 2.674 11.873 6.390 1.00 2.22 C ATOM 1188 OE1 GLU A 75 3.154 11.657 7.524 1.00 3.44 O ATOM 1189 OE2 GLU A 75 2.724 12.951 5.767 1.00 2.77 O ATOM 0 H GLU A 75 1.013 8.122 6.175 1.00 0.59 H new ATOM 0 HA GLU A 75 1.992 9.016 3.588 1.00 0.61 H new ATOM 0 HB2 GLU A 75 3.233 9.100 6.345 1.00 0.69 H new ATOM 0 HB3 GLU A 75 3.789 9.949 4.917 1.00 0.69 H new ATOM 0 HG2 GLU A 75 1.467 11.062 4.809 1.00 1.53 H new ATOM 0 HG3 GLU A 75 1.143 10.366 6.384 1.00 1.53 H new ATOM 1196 N TYR A 76 3.259 6.407 5.161 1.00 0.61 N ATOM 1197 CA TYR A 76 3.864 5.098 4.926 1.00 0.68 C ATOM 1198 C TYR A 76 3.381 4.567 3.577 1.00 0.59 C ATOM 1199 O TYR A 76 4.193 4.255 2.706 1.00 0.59 O ATOM 1200 CB TYR A 76 3.498 4.150 6.077 1.00 0.76 C ATOM 1201 CG TYR A 76 3.791 2.683 5.816 1.00 0.94 C ATOM 1202 CD1 TYR A 76 2.885 1.903 5.070 1.00 2.34 C ATOM 1203 CD2 TYR A 76 4.936 2.077 6.361 1.00 1.88 C ATOM 1204 CE1 TYR A 76 3.213 0.586 4.721 1.00 2.48 C ATOM 1205 CE2 TYR A 76 5.184 0.711 6.132 1.00 1.95 C ATOM 1206 CZ TYR A 76 4.349 -0.020 5.273 1.00 1.38 C ATOM 1207 OH TYR A 76 4.657 -1.306 4.956 1.00 1.67 O ATOM 0 H TYR A 76 2.955 6.551 6.124 1.00 0.61 H new ATOM 0 HA TYR A 76 4.951 5.175 4.895 1.00 0.68 H new ATOM 0 HB2 TYR A 76 4.040 4.460 6.970 1.00 0.76 H new ATOM 0 HB3 TYR A 76 2.436 4.260 6.295 1.00 0.76 H new ATOM 0 HD1 TYR A 76 1.936 2.321 4.767 1.00 2.34 H new ATOM 0 HD2 TYR A 76 5.625 2.659 6.955 1.00 1.88 H new ATOM 0 HE1 TYR A 76 2.591 0.039 4.028 1.00 2.48 H new ATOM 0 HE2 TYR A 76 6.017 0.225 6.618 1.00 1.95 H new ATOM 0 HH TYR A 76 5.460 -1.321 4.394 1.00 1.67 H new ATOM 1217 N TRP A 77 2.053 4.516 3.412 1.00 0.54 N ATOM 1218 CA TRP A 77 1.408 4.119 2.173 1.00 0.44 C ATOM 1219 C TRP A 77 2.081 4.664 0.909 1.00 0.45 C ATOM 1220 O TRP A 77 2.852 3.948 0.275 1.00 0.53 O ATOM 1221 CB TRP A 77 -0.094 4.428 2.222 1.00 0.42 C ATOM 1222 CG TRP A 77 -0.870 3.238 1.855 1.00 0.45 C ATOM 1223 CD1 TRP A 77 -1.181 2.915 0.593 1.00 0.46 C ATOM 1224 CD2 TRP A 77 -1.426 2.200 2.702 1.00 0.47 C ATOM 1225 NE1 TRP A 77 -1.793 1.695 0.586 1.00 0.47 N ATOM 1226 CE2 TRP A 77 -2.063 1.249 1.860 1.00 0.50 C ATOM 1227 CE3 TRP A 77 -1.511 1.987 4.090 1.00 0.47 C ATOM 1228 CZ2 TRP A 77 -2.791 0.167 2.364 1.00 0.55 C ATOM 1229 CZ3 TRP A 77 -2.219 0.883 4.588 1.00 0.48 C ATOM 1230 CH2 TRP A 77 -2.880 -0.003 3.746 1.00 0.57 C ATOM 0 H TRP A 77 1.394 4.755 4.153 1.00 0.54 H new ATOM 0 HA TRP A 77 1.532 3.039 2.095 1.00 0.44 H new ATOM 0 HB2 TRP A 77 -0.372 4.758 3.223 1.00 0.42 H new ATOM 0 HB3 TRP A 77 -0.326 5.247 1.541 1.00 0.42 H new ATOM 0 HD1 TRP A 77 -0.980 3.521 -0.278 1.00 0.46 H new ATOM 0 HE1 TRP A 77 -2.023 1.176 -0.262 1.00 0.47 H new ATOM 0 HE3 TRP A 77 -1.031 2.673 4.772 1.00 0.47 H new ATOM 0 HZ2 TRP A 77 -3.277 -0.527 1.694 1.00 0.55 H new ATOM 0 HZ3 TRP A 77 -2.251 0.717 5.655 1.00 0.48 H new ATOM 0 HH2 TRP A 77 -3.458 -0.817 4.158 1.00 0.57 H new ATOM 1241 N ARG A 78 1.774 5.902 0.506 1.00 0.45 N ATOM 1242 CA ARG A 78 2.390 6.566 -0.639 1.00 0.57 C ATOM 1243 C ARG A 78 3.911 6.300 -0.718 1.00 0.62 C ATOM 1244 O ARG A 78 4.426 6.034 -1.805 1.00 0.71 O ATOM 1245 CB ARG A 78 2.068 8.071 -0.597 1.00 0.69 C ATOM 1246 CG ARG A 78 2.366 8.750 0.744 1.00 1.46 C ATOM 1247 CD ARG A 78 1.877 10.201 0.786 1.00 1.76 C ATOM 1248 NE ARG A 78 2.711 11.086 -0.042 1.00 2.37 N ATOM 1249 CZ ARG A 78 2.635 12.429 -0.031 1.00 2.98 C ATOM 1250 NH1 ARG A 78 1.706 13.035 0.717 1.00 3.27 N ATOM 1251 NH2 ARG A 78 3.483 13.155 -0.769 1.00 4.13 N ATOM 0 H ARG A 78 1.077 6.478 0.978 1.00 0.45 H new ATOM 0 HA ARG A 78 1.967 6.145 -1.551 1.00 0.57 H new ATOM 0 HB2 ARG A 78 2.639 8.573 -1.378 1.00 0.69 H new ATOM 0 HB3 ARG A 78 1.013 8.210 -0.833 1.00 0.69 H new ATOM 0 HG2 ARG A 78 1.891 8.186 1.547 1.00 1.46 H new ATOM 0 HG3 ARG A 78 3.440 8.726 0.929 1.00 1.46 H new ATOM 0 HD2 ARG A 78 0.845 10.246 0.439 1.00 1.76 H new ATOM 0 HD3 ARG A 78 1.883 10.556 1.816 1.00 1.76 H new ATOM 0 HE ARG A 78 3.392 10.653 -0.666 1.00 2.37 H new ATOM 0 HH11 ARG A 78 1.059 12.479 1.276 1.00 3.27 H new ATOM 0 HH12 ARG A 78 1.645 14.053 0.728 1.00 3.27 H new ATOM 0 HH21 ARG A 78 4.188 12.690 -1.341 1.00 4.13 H new ATOM 0 HH22 ARG A 78 3.424 14.173 -0.760 1.00 4.13 H new ATOM 1265 N LEU A 79 4.630 6.344 0.415 1.00 0.64 N ATOM 1266 CA LEU A 79 6.072 6.103 0.437 1.00 0.75 C ATOM 1267 C LEU A 79 6.450 4.690 -0.040 1.00 0.79 C ATOM 1268 O LEU A 79 7.418 4.561 -0.788 1.00 0.97 O ATOM 1269 CB LEU A 79 6.687 6.419 1.812 1.00 0.80 C ATOM 1270 CG LEU A 79 7.132 7.888 1.981 1.00 0.80 C ATOM 1271 CD1 LEU A 79 6.079 8.946 1.641 1.00 0.86 C ATOM 1272 CD2 LEU A 79 7.625 8.141 3.406 1.00 0.96 C ATOM 0 H LEU A 79 4.228 6.546 1.330 1.00 0.64 H new ATOM 0 HA LEU A 79 6.504 6.798 -0.283 1.00 0.75 H new ATOM 0 HB2 LEU A 79 5.959 6.180 2.587 1.00 0.80 H new ATOM 0 HB3 LEU A 79 7.548 5.769 1.971 1.00 0.80 H new ATOM 0 HG LEU A 79 7.930 8.004 1.248 1.00 0.80 H new ATOM 0 HD11 LEU A 79 6.499 9.940 1.795 1.00 0.86 H new ATOM 0 HD12 LEU A 79 5.777 8.837 0.599 1.00 0.86 H new ATOM 0 HD13 LEU A 79 5.210 8.815 2.286 1.00 0.86 H new ATOM 0 HD21 LEU A 79 7.934 9.182 3.505 1.00 0.96 H new ATOM 0 HD22 LEU A 79 6.821 7.933 4.112 1.00 0.96 H new ATOM 0 HD23 LEU A 79 8.472 7.489 3.619 1.00 0.96 H new ATOM 1284 N ILE A 80 5.745 3.622 0.357 1.00 0.65 N ATOM 1285 CA ILE A 80 6.008 2.328 -0.291 1.00 0.59 C ATOM 1286 C ILE A 80 5.448 2.349 -1.724 1.00 0.51 C ATOM 1287 O ILE A 80 5.997 1.722 -2.626 1.00 0.48 O ATOM 1288 CB ILE A 80 5.563 1.092 0.523 1.00 0.59 C ATOM 1289 CG1 ILE A 80 4.108 0.701 0.216 1.00 0.66 C ATOM 1290 CG2 ILE A 80 5.848 1.234 2.012 1.00 0.70 C ATOM 1291 CD1 ILE A 80 3.568 -0.577 0.860 1.00 0.59 C ATOM 0 H ILE A 80 5.027 3.620 1.082 1.00 0.65 H new ATOM 0 HA ILE A 80 7.090 2.206 -0.338 1.00 0.59 H new ATOM 0 HB ILE A 80 6.180 0.256 0.194 1.00 0.59 H new ATOM 0 HG12 ILE A 80 3.466 1.528 0.521 1.00 0.66 H new ATOM 0 HG13 ILE A 80 4.008 0.601 -0.865 1.00 0.66 H new ATOM 0 HG21 ILE A 80 5.515 0.337 2.533 1.00 0.70 H new ATOM 0 HG22 ILE A 80 6.919 1.367 2.166 1.00 0.70 H new ATOM 0 HG23 ILE A 80 5.315 2.100 2.404 1.00 0.70 H new ATOM 0 HD11 ILE A 80 2.532 -0.728 0.556 1.00 0.59 H new ATOM 0 HD12 ILE A 80 4.168 -1.428 0.538 1.00 0.59 H new ATOM 0 HD13 ILE A 80 3.618 -0.487 1.945 1.00 0.59 H new ATOM 1303 N GLY A 81 4.335 3.052 -1.938 1.00 0.52 N ATOM 1304 CA GLY A 81 3.699 3.221 -3.236 1.00 0.54 C ATOM 1305 C GLY A 81 4.672 3.566 -4.352 1.00 0.54 C ATOM 1306 O GLY A 81 4.678 2.903 -5.388 1.00 0.69 O ATOM 0 H GLY A 81 3.840 3.532 -1.187 1.00 0.52 H new ATOM 0 HA2 GLY A 81 3.173 2.302 -3.496 1.00 0.54 H new ATOM 0 HA3 GLY A 81 2.949 4.008 -3.164 1.00 0.54 H new ATOM 1310 N GLU A 82 5.502 4.590 -4.164 1.00 0.51 N ATOM 1311 CA GLU A 82 6.491 4.919 -5.178 1.00 0.68 C ATOM 1312 C GLU A 82 7.591 3.843 -5.240 1.00 0.65 C ATOM 1313 O GLU A 82 8.030 3.479 -6.338 1.00 0.77 O ATOM 1314 CB GLU A 82 6.998 6.344 -4.959 1.00 0.84 C ATOM 1315 CG GLU A 82 7.337 6.618 -3.491 1.00 2.09 C ATOM 1316 CD GLU A 82 8.736 7.155 -3.345 1.00 3.46 C ATOM 1317 OE1 GLU A 82 9.658 6.318 -3.490 1.00 5.05 O ATOM 1318 OE2 GLU A 82 8.851 8.344 -2.993 1.00 3.73 O ATOM 0 H GLU A 82 5.509 5.191 -3.340 1.00 0.51 H new ATOM 0 HA GLU A 82 6.038 4.910 -6.169 1.00 0.68 H new ATOM 0 HB2 GLU A 82 7.884 6.511 -5.572 1.00 0.84 H new ATOM 0 HB3 GLU A 82 6.241 7.053 -5.294 1.00 0.84 H new ATOM 0 HG2 GLU A 82 6.625 7.333 -3.078 1.00 2.09 H new ATOM 0 HG3 GLU A 82 7.236 5.699 -2.914 1.00 2.09 H new ATOM 1325 N LEU A 83 7.997 3.286 -4.090 1.00 0.52 N ATOM 1326 CA LEU A 83 8.910 2.152 -4.001 1.00 0.58 C ATOM 1327 C LEU A 83 8.442 1.044 -4.959 1.00 0.67 C ATOM 1328 O LEU A 83 9.240 0.484 -5.709 1.00 0.84 O ATOM 1329 CB LEU A 83 9.018 1.674 -2.536 1.00 0.60 C ATOM 1330 CG LEU A 83 10.338 1.005 -2.123 1.00 1.04 C ATOM 1331 CD1 LEU A 83 10.775 -0.062 -3.113 1.00 2.35 C ATOM 1332 CD2 LEU A 83 11.485 1.996 -1.917 1.00 1.95 C ATOM 0 H LEU A 83 7.689 3.624 -3.178 1.00 0.52 H new ATOM 0 HA LEU A 83 9.913 2.446 -4.309 1.00 0.58 H new ATOM 0 HB2 LEU A 83 8.854 2.533 -1.885 1.00 0.60 H new ATOM 0 HB3 LEU A 83 8.207 0.971 -2.347 1.00 0.60 H new ATOM 0 HG LEU A 83 10.120 0.539 -1.162 1.00 1.04 H new ATOM 0 HD11 LEU A 83 11.712 -0.506 -2.779 1.00 2.35 H new ATOM 0 HD12 LEU A 83 10.009 -0.835 -3.176 1.00 2.35 H new ATOM 0 HD13 LEU A 83 10.917 0.389 -4.095 1.00 2.35 H new ATOM 0 HD21 LEU A 83 12.386 1.455 -1.627 1.00 1.95 H new ATOM 0 HD22 LEU A 83 11.670 2.537 -2.845 1.00 1.95 H new ATOM 0 HD23 LEU A 83 11.218 2.703 -1.132 1.00 1.95 H new ATOM 1344 N ALA A 84 7.136 0.756 -5.002 1.00 0.60 N ATOM 1345 CA ALA A 84 6.591 -0.197 -5.954 1.00 0.74 C ATOM 1346 C ALA A 84 7.088 -0.001 -7.396 1.00 0.95 C ATOM 1347 O ALA A 84 7.354 -1.004 -8.062 1.00 1.25 O ATOM 1348 CB ALA A 84 5.060 -0.189 -5.906 1.00 0.63 C ATOM 0 H ALA A 84 6.442 1.175 -4.383 1.00 0.60 H new ATOM 0 HA ALA A 84 6.964 -1.173 -5.643 1.00 0.74 H new ATOM 0 HB1 ALA A 84 4.670 -0.909 -6.626 1.00 0.63 H new ATOM 0 HB2 ALA A 84 4.726 -0.460 -4.904 1.00 0.63 H new ATOM 0 HB3 ALA A 84 4.693 0.807 -6.154 1.00 0.63 H new ATOM 1354 N LYS A 85 7.188 1.244 -7.880 1.00 0.99 N ATOM 1355 CA LYS A 85 7.700 1.543 -9.219 1.00 1.37 C ATOM 1356 C LYS A 85 9.229 1.531 -9.260 1.00 1.40 C ATOM 1357 O LYS A 85 9.802 1.004 -10.212 1.00 1.77 O ATOM 1358 CB LYS A 85 7.186 2.902 -9.703 1.00 1.60 C ATOM 1359 CG LYS A 85 5.713 2.840 -10.111 1.00 2.35 C ATOM 1360 CD LYS A 85 5.310 4.216 -10.659 1.00 2.82 C ATOM 1361 CE LYS A 85 3.867 4.231 -11.218 1.00 4.28 C ATOM 1362 NZ LYS A 85 3.692 3.474 -12.484 1.00 6.50 N ATOM 0 H LYS A 85 6.915 2.072 -7.351 1.00 0.99 H new ATOM 0 HA LYS A 85 7.335 0.759 -9.882 1.00 1.37 H new ATOM 0 HB2 LYS A 85 7.313 3.641 -8.912 1.00 1.60 H new ATOM 0 HB3 LYS A 85 7.784 3.236 -10.551 1.00 1.60 H new ATOM 0 HG2 LYS A 85 5.560 2.070 -10.867 1.00 2.35 H new ATOM 0 HG3 LYS A 85 5.092 2.575 -9.255 1.00 2.35 H new ATOM 0 HD2 LYS A 85 5.397 4.959 -9.866 1.00 2.82 H new ATOM 0 HD3 LYS A 85 6.005 4.508 -11.447 1.00 2.82 H new ATOM 0 HE2 LYS A 85 3.195 3.818 -10.466 1.00 4.28 H new ATOM 0 HE3 LYS A 85 3.565 5.265 -11.382 1.00 4.28 H new ATOM 0 HZ1 LYS A 85 2.913 2.793 -12.377 1.00 6.50 H new ATOM 0 HZ2 LYS A 85 3.470 4.135 -13.256 1.00 6.50 H new ATOM 0 HZ3 LYS A 85 4.570 2.963 -12.707 1.00 6.50 H new ATOM 1376 N GLU A 86 9.852 2.136 -8.242 1.00 1.07 N ATOM 1377 CA GLU A 86 11.303 2.215 -8.033 1.00 1.06 C ATOM 1378 C GLU A 86 11.955 0.886 -8.455 1.00 1.13 C ATOM 1379 O GLU A 86 12.640 0.813 -9.478 1.00 1.29 O ATOM 1380 CB GLU A 86 11.518 2.509 -6.538 1.00 1.13 C ATOM 1381 CG GLU A 86 12.935 2.950 -6.169 1.00 2.51 C ATOM 1382 CD GLU A 86 13.736 1.703 -5.790 1.00 4.41 C ATOM 1383 OE1 GLU A 86 13.587 1.273 -4.630 1.00 4.91 O ATOM 1384 OE2 GLU A 86 14.416 1.159 -6.689 1.00 5.95 O ATOM 0 H GLU A 86 9.331 2.608 -7.503 1.00 1.07 H new ATOM 0 HA GLU A 86 11.763 3.000 -8.633 1.00 1.06 H new ATOM 0 HB2 GLU A 86 10.819 3.287 -6.231 1.00 1.13 H new ATOM 0 HB3 GLU A 86 11.271 1.614 -5.967 1.00 1.13 H new ATOM 0 HG2 GLU A 86 13.405 3.464 -7.008 1.00 2.51 H new ATOM 0 HG3 GLU A 86 12.910 3.654 -5.337 1.00 2.51 H new ATOM 1391 N ILE A 87 11.674 -0.190 -7.717 1.00 1.07 N ATOM 1392 CA ILE A 87 12.248 -1.493 -7.988 1.00 1.16 C ATOM 1393 C ILE A 87 11.462 -2.180 -9.110 1.00 1.25 C ATOM 1394 O ILE A 87 10.374 -2.723 -8.911 1.00 1.13 O ATOM 1395 CB ILE A 87 12.348 -2.328 -6.695 1.00 1.18 C ATOM 1396 CG1 ILE A 87 12.877 -3.748 -6.956 1.00 1.62 C ATOM 1397 CG2 ILE A 87 11.037 -2.407 -5.900 1.00 1.18 C ATOM 1398 CD1 ILE A 87 14.217 -3.778 -7.696 1.00 1.54 C ATOM 0 H ILE A 87 11.042 -0.174 -6.917 1.00 1.07 H new ATOM 0 HA ILE A 87 13.272 -1.383 -8.344 1.00 1.16 H new ATOM 0 HB ILE A 87 13.067 -1.785 -6.082 1.00 1.18 H new ATOM 0 HG12 ILE A 87 12.986 -4.267 -6.003 1.00 1.62 H new ATOM 0 HG13 ILE A 87 12.138 -4.300 -7.537 1.00 1.62 H new ATOM 0 HG21 ILE A 87 11.190 -3.011 -5.006 1.00 1.18 H new ATOM 0 HG22 ILE A 87 10.726 -1.403 -5.611 1.00 1.18 H new ATOM 0 HG23 ILE A 87 10.264 -2.863 -6.518 1.00 1.18 H new ATOM 0 HD11 ILE A 87 14.527 -4.812 -7.845 1.00 1.54 H new ATOM 0 HD12 ILE A 87 14.109 -3.289 -8.664 1.00 1.54 H new ATOM 0 HD13 ILE A 87 14.970 -3.254 -7.107 1.00 1.54 H new ATOM 1410 N ARG A 88 12.055 -2.222 -10.304 1.00 1.67 N ATOM 1411 CA ARG A 88 11.451 -2.877 -11.453 1.00 1.98 C ATOM 1412 C ARG A 88 11.713 -4.379 -11.335 1.00 1.95 C ATOM 1413 O ARG A 88 12.610 -4.917 -11.981 1.00 2.30 O ATOM 1414 CB ARG A 88 12.034 -2.304 -12.752 1.00 2.52 C ATOM 1415 CG ARG A 88 11.707 -0.813 -12.912 1.00 2.97 C ATOM 1416 CD ARG A 88 12.136 -0.338 -14.305 1.00 3.33 C ATOM 1417 NE ARG A 88 11.861 1.096 -14.487 1.00 3.78 N ATOM 1418 CZ ARG A 88 12.043 1.770 -15.636 1.00 4.22 C ATOM 1419 NH1 ARG A 88 12.511 1.131 -16.715 1.00 4.21 N ATOM 1420 NH2 ARG A 88 11.761 3.076 -15.701 1.00 5.21 N ATOM 0 H ARG A 88 12.965 -1.803 -10.496 1.00 1.67 H new ATOM 0 HA ARG A 88 10.376 -2.701 -11.476 1.00 1.98 H new ATOM 0 HB2 ARG A 88 13.115 -2.442 -12.758 1.00 2.52 H new ATOM 0 HB3 ARG A 88 11.638 -2.857 -13.604 1.00 2.52 H new ATOM 0 HG2 ARG A 88 10.638 -0.648 -12.774 1.00 2.97 H new ATOM 0 HG3 ARG A 88 12.221 -0.233 -12.145 1.00 2.97 H new ATOM 0 HD2 ARG A 88 13.200 -0.527 -14.445 1.00 3.33 H new ATOM 0 HD3 ARG A 88 11.608 -0.912 -15.066 1.00 3.33 H new ATOM 0 HE ARG A 88 11.507 1.616 -13.684 1.00 3.78 H new ATOM 0 HH11 ARG A 88 12.728 0.136 -16.664 1.00 4.21 H new ATOM 0 HH12 ARG A 88 12.650 1.639 -17.588 1.00 4.21 H new ATOM 0 HH21 ARG A 88 11.407 3.563 -14.878 1.00 5.21 H new ATOM 0 HH22 ARG A 88 11.900 3.585 -16.574 1.00 5.21 H new ATOM 1434 N LYS A 89 10.932 -5.029 -10.466 1.00 1.66 N ATOM 1435 CA LYS A 89 10.985 -6.460 -10.193 1.00 1.66 C ATOM 1436 C LYS A 89 11.165 -7.281 -11.472 1.00 2.29 C ATOM 1437 O LYS A 89 10.381 -7.146 -12.413 1.00 2.63 O ATOM 1438 CB LYS A 89 9.695 -6.944 -9.515 1.00 1.51 C ATOM 1439 CG LYS A 89 9.351 -6.242 -8.197 1.00 1.14 C ATOM 1440 CD LYS A 89 8.226 -5.210 -8.356 1.00 1.42 C ATOM 1441 CE LYS A 89 7.882 -4.633 -6.981 1.00 1.60 C ATOM 1442 NZ LYS A 89 7.037 -3.434 -7.096 1.00 3.12 N ATOM 0 H LYS A 89 10.220 -4.550 -9.915 1.00 1.66 H new ATOM 0 HA LYS A 89 11.842 -6.607 -9.536 1.00 1.66 H new ATOM 0 HB2 LYS A 89 8.865 -6.808 -10.209 1.00 1.51 H new ATOM 0 HB3 LYS A 89 9.781 -8.014 -9.327 1.00 1.51 H new ATOM 0 HG2 LYS A 89 9.054 -6.987 -7.459 1.00 1.14 H new ATOM 0 HG3 LYS A 89 10.242 -5.747 -7.810 1.00 1.14 H new ATOM 0 HD2 LYS A 89 8.538 -4.413 -9.031 1.00 1.42 H new ATOM 0 HD3 LYS A 89 7.346 -5.677 -8.799 1.00 1.42 H new ATOM 0 HE2 LYS A 89 7.366 -5.388 -6.387 1.00 1.60 H new ATOM 0 HE3 LYS A 89 8.800 -4.383 -6.450 1.00 1.60 H new ATOM 0 HZ1 LYS A 89 6.588 -3.236 -6.179 1.00 3.12 H new ATOM 0 HZ2 LYS A 89 7.623 -2.622 -7.377 1.00 3.12 H new ATOM 0 HZ3 LYS A 89 6.302 -3.595 -7.813 1.00 3.12 H new ATOM 1456 N LYS A 90 12.132 -8.201 -11.478 1.00 2.94 N ATOM 1457 CA LYS A 90 12.265 -9.184 -12.544 1.00 3.62 C ATOM 1458 C LYS A 90 11.229 -10.294 -12.311 1.00 3.50 C ATOM 1459 O LYS A 90 11.563 -11.432 -11.993 1.00 5.22 O ATOM 1460 CB LYS A 90 13.727 -9.653 -12.620 1.00 4.54 C ATOM 1461 CG LYS A 90 14.035 -10.336 -13.961 1.00 5.19 C ATOM 1462 CD LYS A 90 15.539 -10.563 -14.184 1.00 6.35 C ATOM 1463 CE LYS A 90 16.310 -9.245 -14.387 1.00 6.97 C ATOM 1464 NZ LYS A 90 17.711 -9.469 -14.801 1.00 8.37 N ATOM 0 H LYS A 90 12.839 -8.282 -10.747 1.00 2.94 H new ATOM 0 HA LYS A 90 12.047 -8.768 -13.528 1.00 3.62 H new ATOM 0 HB2 LYS A 90 14.391 -8.799 -12.486 1.00 4.54 H new ATOM 0 HB3 LYS A 90 13.930 -10.346 -11.803 1.00 4.54 H new ATOM 0 HG2 LYS A 90 13.518 -11.295 -14.002 1.00 5.19 H new ATOM 0 HG3 LYS A 90 13.640 -9.726 -14.773 1.00 5.19 H new ATOM 0 HD2 LYS A 90 15.954 -11.095 -13.328 1.00 6.35 H new ATOM 0 HD3 LYS A 90 15.682 -11.202 -15.056 1.00 6.35 H new ATOM 0 HE2 LYS A 90 15.803 -8.643 -15.141 1.00 6.97 H new ATOM 0 HE3 LYS A 90 16.295 -8.672 -13.460 1.00 6.97 H new ATOM 0 HZ1 LYS A 90 18.187 -8.553 -14.925 1.00 8.37 H new ATOM 0 HZ2 LYS A 90 18.205 -10.020 -14.070 1.00 8.37 H new ATOM 0 HZ3 LYS A 90 17.728 -9.992 -15.700 1.00 8.37 H new ATOM 1478 N LYS A 91 9.959 -9.909 -12.458 1.00 1.94 N ATOM 1479 CA LYS A 91 8.736 -10.671 -12.237 1.00 2.16 C ATOM 1480 C LYS A 91 8.558 -11.171 -10.796 1.00 2.24 C ATOM 1481 O LYS A 91 7.658 -10.704 -10.101 1.00 2.77 O ATOM 1482 CB LYS A 91 8.656 -11.858 -13.208 1.00 2.70 C ATOM 1483 CG LYS A 91 8.682 -11.475 -14.690 1.00 2.93 C ATOM 1484 CD LYS A 91 8.597 -12.773 -15.505 1.00 3.49 C ATOM 1485 CE LYS A 91 8.583 -12.495 -17.013 1.00 4.15 C ATOM 1486 NZ LYS A 91 8.477 -13.746 -17.795 1.00 5.03 N ATOM 0 H LYS A 91 9.745 -8.960 -12.766 1.00 1.94 H new ATOM 0 HA LYS A 91 7.921 -9.972 -12.425 1.00 2.16 H new ATOM 0 HB2 LYS A 91 9.489 -12.532 -13.006 1.00 2.70 H new ATOM 0 HB3 LYS A 91 7.740 -12.414 -13.006 1.00 2.70 H new ATOM 0 HG2 LYS A 91 7.847 -10.816 -14.930 1.00 2.93 H new ATOM 0 HG3 LYS A 91 9.596 -10.931 -14.929 1.00 2.93 H new ATOM 0 HD2 LYS A 91 9.445 -13.413 -15.261 1.00 3.49 H new ATOM 0 HD3 LYS A 91 7.696 -13.319 -15.227 1.00 3.49 H new ATOM 0 HE2 LYS A 91 7.745 -11.841 -17.256 1.00 4.15 H new ATOM 0 HE3 LYS A 91 9.493 -11.965 -17.295 1.00 4.15 H new ATOM 0 HZ1 LYS A 91 8.470 -13.521 -18.810 1.00 5.03 H new ATOM 0 HZ2 LYS A 91 9.290 -14.359 -17.581 1.00 5.03 H new ATOM 0 HZ3 LYS A 91 7.596 -14.239 -17.544 1.00 5.03 H new ATOM 1500 N ASP A 92 9.413 -12.083 -10.324 1.00 2.17 N ATOM 1501 CA ASP A 92 8.959 -13.064 -9.332 1.00 2.51 C ATOM 1502 C ASP A 92 9.686 -12.870 -7.999 1.00 2.35 C ATOM 1503 O ASP A 92 10.277 -13.790 -7.444 1.00 3.16 O ATOM 1504 CB ASP A 92 9.182 -14.476 -9.906 1.00 3.17 C ATOM 1505 CG ASP A 92 8.491 -14.681 -11.250 1.00 3.92 C ATOM 1506 OD1 ASP A 92 7.256 -14.499 -11.294 1.00 5.12 O ATOM 1507 OD2 ASP A 92 9.213 -14.980 -12.228 1.00 4.20 O ATOM 0 H ASP A 92 10.391 -12.164 -10.600 1.00 2.17 H new ATOM 0 HA ASP A 92 7.897 -12.925 -9.129 1.00 2.51 H new ATOM 0 HB2 ASP A 92 10.251 -14.652 -10.021 1.00 3.17 H new ATOM 0 HB3 ASP A 92 8.812 -15.215 -9.195 1.00 3.17 H new ATOM 1512 N LEU A 93 9.606 -11.662 -7.449 1.00 1.75 N ATOM 1513 CA LEU A 93 10.540 -11.190 -6.432 1.00 1.59 C ATOM 1514 C LEU A 93 10.755 -12.089 -5.210 1.00 1.72 C ATOM 1515 O LEU A 93 11.916 -12.403 -4.943 1.00 1.91 O ATOM 1516 CB LEU A 93 10.318 -9.706 -6.097 1.00 1.82 C ATOM 1517 CG LEU A 93 8.888 -9.259 -5.731 1.00 1.43 C ATOM 1518 CD1 LEU A 93 8.974 -7.872 -5.075 1.00 2.71 C ATOM 1519 CD2 LEU A 93 7.914 -9.281 -6.924 1.00 2.06 C ATOM 0 H LEU A 93 8.889 -10.980 -7.697 1.00 1.75 H new ATOM 0 HA LEU A 93 11.514 -11.273 -6.914 1.00 1.59 H new ATOM 0 HB2 LEU A 93 10.973 -9.449 -5.265 1.00 1.82 H new ATOM 0 HB3 LEU A 93 10.645 -9.116 -6.954 1.00 1.82 H new ATOM 0 HG LEU A 93 8.467 -9.978 -5.028 1.00 1.43 H new ATOM 0 HD11 LEU A 93 7.973 -7.534 -4.807 1.00 2.71 H new ATOM 0 HD12 LEU A 93 9.590 -7.932 -4.178 1.00 2.71 H new ATOM 0 HD13 LEU A 93 9.420 -7.166 -5.775 1.00 2.71 H new ATOM 0 HD21 LEU A 93 6.927 -8.955 -6.594 1.00 2.06 H new ATOM 0 HD22 LEU A 93 8.277 -8.609 -7.702 1.00 2.06 H new ATOM 0 HD23 LEU A 93 7.848 -10.294 -7.321 1.00 2.06 H new ATOM 1531 N LYS A 94 9.718 -12.538 -4.478 1.00 1.95 N ATOM 1532 CA LYS A 94 9.998 -13.311 -3.259 1.00 2.19 C ATOM 1533 C LYS A 94 10.833 -14.572 -3.538 1.00 2.47 C ATOM 1534 O LYS A 94 11.368 -15.173 -2.607 1.00 2.71 O ATOM 1535 CB LYS A 94 8.779 -13.762 -2.419 1.00 2.53 C ATOM 1536 CG LYS A 94 7.559 -12.862 -2.209 1.00 2.54 C ATOM 1537 CD LYS A 94 6.671 -13.575 -1.159 1.00 2.81 C ATOM 1538 CE LYS A 94 5.179 -13.638 -1.540 1.00 3.01 C ATOM 1539 NZ LYS A 94 4.411 -12.454 -1.115 1.00 3.51 N ATOM 0 H LYS A 94 8.732 -12.389 -4.694 1.00 1.95 H new ATOM 0 HA LYS A 94 10.545 -12.574 -2.671 1.00 2.19 H new ATOM 0 HB2 LYS A 94 8.414 -14.686 -2.867 1.00 2.53 H new ATOM 0 HB3 LYS A 94 9.157 -14.015 -1.428 1.00 2.53 H new ATOM 0 HG2 LYS A 94 7.860 -11.875 -1.858 1.00 2.54 H new ATOM 0 HG3 LYS A 94 7.017 -12.717 -3.143 1.00 2.54 H new ATOM 0 HD2 LYS A 94 7.042 -14.590 -1.014 1.00 2.81 H new ATOM 0 HD3 LYS A 94 6.770 -13.059 -0.204 1.00 2.81 H new ATOM 0 HE2 LYS A 94 5.093 -13.748 -2.621 1.00 3.01 H new ATOM 0 HE3 LYS A 94 4.736 -14.528 -1.093 1.00 3.01 H new ATOM 0 HZ1 LYS A 94 3.724 -12.202 -1.854 1.00 3.51 H new ATOM 0 HZ2 LYS A 94 3.906 -12.667 -0.231 1.00 3.51 H new ATOM 0 HZ3 LYS A 94 5.060 -11.657 -0.959 1.00 3.51 H new ATOM 1553 N ILE A 95 10.890 -15.040 -4.796 1.00 2.59 N ATOM 1554 CA ILE A 95 11.743 -16.148 -5.194 1.00 2.98 C ATOM 1555 C ILE A 95 13.195 -15.975 -4.739 1.00 3.11 C ATOM 1556 O ILE A 95 13.950 -16.943 -4.793 1.00 3.41 O ATOM 1557 CB ILE A 95 11.635 -16.390 -6.712 1.00 3.02 C ATOM 1558 CG1 ILE A 95 11.886 -17.861 -7.077 1.00 3.29 C ATOM 1559 CG2 ILE A 95 12.589 -15.475 -7.499 1.00 2.94 C ATOM 1560 CD1 ILE A 95 11.513 -18.116 -8.539 1.00 3.34 C ATOM 0 H ILE A 95 10.339 -14.651 -5.561 1.00 2.59 H new ATOM 0 HA ILE A 95 11.382 -17.039 -4.680 1.00 2.98 H new ATOM 0 HB ILE A 95 10.612 -16.143 -6.995 1.00 3.02 H new ATOM 0 HG12 ILE A 95 12.935 -18.110 -6.913 1.00 3.29 H new ATOM 0 HG13 ILE A 95 11.299 -18.510 -6.426 1.00 3.29 H new ATOM 0 HG21 ILE A 95 12.486 -15.673 -8.566 1.00 2.94 H new ATOM 0 HG22 ILE A 95 12.342 -14.433 -7.298 1.00 2.94 H new ATOM 0 HG23 ILE A 95 13.616 -15.670 -7.191 1.00 2.94 H new ATOM 0 HD11 ILE A 95 11.696 -19.162 -8.784 1.00 3.34 H new ATOM 0 HD12 ILE A 95 10.458 -17.887 -8.691 1.00 3.34 H new ATOM 0 HD13 ILE A 95 12.119 -17.481 -9.185 1.00 3.34 H new ATOM 1572 N ARG A 96 13.625 -14.754 -4.385 1.00 2.90 N ATOM 1573 CA ARG A 96 14.915 -14.466 -3.767 1.00 3.05 C ATOM 1574 C ARG A 96 15.942 -14.241 -4.885 1.00 3.10 C ATOM 1575 O ARG A 96 16.620 -13.218 -4.933 1.00 3.16 O ATOM 1576 CB ARG A 96 15.363 -15.597 -2.845 1.00 3.24 C ATOM 1577 CG ARG A 96 16.450 -15.144 -1.867 1.00 3.22 C ATOM 1578 CD ARG A 96 17.238 -16.356 -1.351 1.00 4.69 C ATOM 1579 NE ARG A 96 16.338 -17.466 -0.991 1.00 6.45 N ATOM 1580 CZ ARG A 96 16.673 -18.766 -0.999 1.00 8.16 C ATOM 1581 NH1 ARG A 96 17.955 -19.122 -1.125 1.00 8.47 N ATOM 1582 NH2 ARG A 96 15.724 -19.703 -0.887 1.00 9.96 N ATOM 0 H ARG A 96 13.060 -13.917 -4.529 1.00 2.90 H new ATOM 0 HA ARG A 96 14.826 -13.573 -3.149 1.00 3.05 H new ATOM 0 HB2 ARG A 96 14.505 -15.970 -2.286 1.00 3.24 H new ATOM 0 HB3 ARG A 96 15.738 -16.426 -3.445 1.00 3.24 H new ATOM 0 HG2 ARG A 96 17.125 -14.445 -2.361 1.00 3.22 H new ATOM 0 HG3 ARG A 96 15.998 -14.612 -1.030 1.00 3.22 H new ATOM 0 HD2 ARG A 96 17.941 -16.688 -2.115 1.00 4.69 H new ATOM 0 HD3 ARG A 96 17.827 -16.066 -0.481 1.00 4.69 H new ATOM 0 HE ARG A 96 15.386 -17.228 -0.714 1.00 6.45 H new ATOM 0 HH11 ARG A 96 18.676 -18.407 -1.215 1.00 8.47 H new ATOM 0 HH12 ARG A 96 18.212 -20.109 -1.131 1.00 8.47 H new ATOM 0 HH21 ARG A 96 14.746 -19.430 -0.796 1.00 9.96 H new ATOM 0 HH22 ARG A 96 15.979 -20.691 -0.893 1.00 9.96 H new ATOM 1681 N GLU B 4 11.029 -14.027 2.750 1.00 4.08 N ATOM 1682 CA GLU B 4 12.317 -14.371 2.123 1.00 3.54 C ATOM 1683 C GLU B 4 13.273 -13.411 2.871 1.00 3.03 C ATOM 1684 O GLU B 4 12.847 -12.875 3.896 1.00 3.67 O ATOM 1685 CB GLU B 4 12.219 -14.355 0.587 1.00 3.41 C ATOM 1686 CG GLU B 4 11.935 -12.971 0.048 1.00 3.04 C ATOM 1687 CD GLU B 4 13.092 -12.472 -0.810 1.00 3.22 C ATOM 1688 OE1 GLU B 4 14.141 -12.214 -0.192 1.00 4.22 O ATOM 1689 OE2 GLU B 4 12.913 -12.314 -2.033 1.00 3.23 O ATOM 0 HA GLU B 4 12.694 -15.388 2.228 1.00 3.54 H new ATOM 0 HB2 GLU B 4 13.152 -14.725 0.161 1.00 3.41 H new ATOM 0 HB3 GLU B 4 11.431 -15.036 0.268 1.00 3.41 H new ATOM 0 HG2 GLU B 4 11.020 -12.988 -0.543 1.00 3.04 H new ATOM 0 HG3 GLU B 4 11.767 -12.282 0.876 1.00 3.04 H new ATOM 1696 N PRO B 5 14.571 -13.234 2.596 1.00 2.46 N ATOM 1697 CA PRO B 5 15.206 -12.012 3.087 1.00 2.12 C ATOM 1698 C PRO B 5 14.399 -10.710 2.790 1.00 1.78 C ATOM 1699 O PRO B 5 14.630 -9.710 3.466 1.00 2.06 O ATOM 1700 CB PRO B 5 16.656 -12.063 2.593 1.00 2.35 C ATOM 1701 CG PRO B 5 16.635 -13.051 1.426 1.00 2.31 C ATOM 1702 CD PRO B 5 15.472 -13.995 1.753 1.00 2.72 C ATOM 0 HA PRO B 5 15.213 -11.968 4.176 1.00 2.12 H new ATOM 0 HB2 PRO B 5 17.000 -11.079 2.273 1.00 2.35 H new ATOM 0 HB3 PRO B 5 17.331 -12.396 3.381 1.00 2.35 H new ATOM 0 HG2 PRO B 5 16.479 -12.541 0.475 1.00 2.31 H new ATOM 0 HG3 PRO B 5 17.577 -13.593 1.346 1.00 2.31 H new ATOM 0 HD2 PRO B 5 14.970 -14.327 0.844 1.00 2.72 H new ATOM 0 HD3 PRO B 5 15.826 -14.889 2.266 1.00 2.72 H new ATOM 1710 N LEU B 6 13.377 -10.744 1.912 1.00 1.52 N ATOM 1711 CA LEU B 6 12.329 -9.714 1.787 1.00 1.48 C ATOM 1712 C LEU B 6 11.309 -9.865 2.897 1.00 1.25 C ATOM 1713 O LEU B 6 11.185 -10.897 3.552 1.00 1.42 O ATOM 1714 CB LEU B 6 11.593 -9.707 0.419 1.00 1.63 C ATOM 1715 CG LEU B 6 10.054 -9.969 0.335 1.00 1.62 C ATOM 1716 CD1 LEU B 6 9.595 -9.784 -1.114 1.00 2.78 C ATOM 1717 CD2 LEU B 6 9.399 -11.271 0.831 1.00 2.07 C ATOM 0 H LEU B 6 13.255 -11.512 1.251 1.00 1.52 H new ATOM 0 HA LEU B 6 12.853 -8.761 1.863 1.00 1.48 H new ATOM 0 HB2 LEU B 6 11.778 -8.735 -0.039 1.00 1.63 H new ATOM 0 HB3 LEU B 6 12.079 -10.453 -0.210 1.00 1.63 H new ATOM 0 HG LEU B 6 9.717 -9.245 1.076 1.00 1.62 H new ATOM 0 HD11 LEU B 6 8.522 -9.965 -1.182 1.00 2.78 H new ATOM 0 HD12 LEU B 6 9.812 -8.766 -1.437 1.00 2.78 H new ATOM 0 HD13 LEU B 6 10.123 -10.489 -1.756 1.00 2.78 H new ATOM 0 HD21 LEU B 6 8.322 -11.222 0.668 1.00 2.07 H new ATOM 0 HD22 LEU B 6 9.811 -12.118 0.281 1.00 2.07 H new ATOM 0 HD23 LEU B 6 9.600 -11.397 1.895 1.00 2.07 H new ATOM 1729 N THR B 7 10.633 -8.774 3.210 1.00 1.19 N ATOM 1730 CA THR B 7 10.023 -8.592 4.495 1.00 1.12 C ATOM 1731 C THR B 7 8.853 -7.619 4.401 1.00 1.37 C ATOM 1732 O THR B 7 9.063 -6.409 4.425 1.00 2.31 O ATOM 1733 CB THR B 7 11.182 -8.179 5.417 1.00 0.98 C ATOM 1734 OG1 THR B 7 11.914 -9.334 5.769 1.00 1.44 O ATOM 1735 CG2 THR B 7 10.887 -7.478 6.731 1.00 1.18 C ATOM 0 H THR B 7 10.497 -7.991 2.570 1.00 1.19 H new ATOM 0 HA THR B 7 9.551 -9.485 4.905 1.00 1.12 H new ATOM 0 HB THR B 7 11.693 -7.436 4.805 1.00 0.98 H new ATOM 0 HG1 THR B 7 12.658 -9.084 6.356 1.00 1.44 H new ATOM 0 HG21 THR B 7 11.823 -7.263 7.247 1.00 1.18 H new ATOM 0 HG22 THR B 7 10.359 -6.545 6.535 1.00 1.18 H new ATOM 0 HG23 THR B 7 10.268 -8.122 7.356 1.00 1.18 H new ATOM 1743 N GLU B 8 7.638 -8.177 4.565 1.00 1.49 N ATOM 1744 CA GLU B 8 6.268 -7.807 4.196 1.00 1.80 C ATOM 1745 C GLU B 8 5.881 -6.333 4.056 1.00 1.49 C ATOM 1746 O GLU B 8 4.857 -6.066 3.423 1.00 1.64 O ATOM 1747 CB GLU B 8 5.387 -8.514 5.233 1.00 2.15 C ATOM 1748 CG GLU B 8 3.863 -8.424 5.118 1.00 3.91 C ATOM 1749 CD GLU B 8 3.243 -9.074 6.346 1.00 4.52 C ATOM 1750 OE1 GLU B 8 3.464 -8.489 7.429 1.00 4.53 O ATOM 1751 OE2 GLU B 8 2.627 -10.146 6.195 1.00 5.64 O ATOM 0 H GLU B 8 7.601 -9.070 5.056 1.00 1.49 H new ATOM 0 HA GLU B 8 6.135 -8.117 3.159 1.00 1.80 H new ATOM 0 HB2 GLU B 8 5.653 -9.571 5.221 1.00 2.15 H new ATOM 0 HB3 GLU B 8 5.663 -8.127 6.214 1.00 2.15 H new ATOM 0 HG2 GLU B 8 3.550 -7.382 5.043 1.00 3.91 H new ATOM 0 HG3 GLU B 8 3.522 -8.925 4.212 1.00 3.91 H new ATOM 1758 N LEU B 9 6.668 -5.369 4.544 1.00 1.28 N ATOM 1759 CA LEU B 9 6.588 -4.024 4.003 1.00 1.32 C ATOM 1760 C LEU B 9 6.459 -4.113 2.481 1.00 1.52 C ATOM 1761 O LEU B 9 5.521 -3.556 1.912 1.00 1.75 O ATOM 1762 CB LEU B 9 7.829 -3.203 4.391 1.00 1.20 C ATOM 1763 CG LEU B 9 7.764 -2.712 5.843 1.00 1.14 C ATOM 1764 CD1 LEU B 9 7.900 -3.813 6.906 1.00 2.03 C ATOM 1765 CD2 LEU B 9 8.683 -1.525 6.116 1.00 2.78 C ATOM 0 H LEU B 9 7.348 -5.496 5.293 1.00 1.28 H new ATOM 0 HA LEU B 9 5.716 -3.519 4.418 1.00 1.32 H new ATOM 0 HB2 LEU B 9 8.723 -3.811 4.254 1.00 1.20 H new ATOM 0 HB3 LEU B 9 7.920 -2.347 3.723 1.00 1.20 H new ATOM 0 HG LEU B 9 6.741 -2.351 5.949 1.00 1.14 H new ATOM 0 HD11 LEU B 9 7.842 -3.369 7.900 1.00 2.03 H new ATOM 0 HD12 LEU B 9 7.095 -4.537 6.785 1.00 2.03 H new ATOM 0 HD13 LEU B 9 8.860 -4.315 6.789 1.00 2.03 H new ATOM 0 HD21 LEU B 9 8.590 -1.226 7.160 1.00 2.78 H new ATOM 0 HD22 LEU B 9 9.715 -1.809 5.910 1.00 2.78 H new ATOM 0 HD23 LEU B 9 8.401 -0.691 5.473 1.00 2.78 H new ATOM 1777 N GLU B 10 7.384 -4.831 1.837 1.00 1.50 N ATOM 1778 CA GLU B 10 7.318 -5.159 0.424 1.00 1.63 C ATOM 1779 C GLU B 10 6.524 -6.402 0.067 1.00 1.35 C ATOM 1780 O GLU B 10 5.946 -6.430 -1.017 1.00 1.33 O ATOM 1781 CB GLU B 10 8.690 -5.087 -0.227 1.00 2.05 C ATOM 1782 CG GLU B 10 9.420 -6.416 -0.273 1.00 1.22 C ATOM 1783 CD GLU B 10 9.754 -6.758 1.140 1.00 3.16 C ATOM 1784 OE1 GLU B 10 8.805 -7.104 1.859 1.00 4.61 O ATOM 1785 OE2 GLU B 10 10.926 -6.656 1.519 1.00 4.32 O ATOM 0 H GLU B 10 8.213 -5.204 2.299 1.00 1.50 H new ATOM 0 HA GLU B 10 6.707 -4.374 -0.021 1.00 1.63 H new ATOM 0 HB2 GLU B 10 8.579 -4.709 -1.243 1.00 2.05 H new ATOM 0 HB3 GLU B 10 9.302 -4.367 0.316 1.00 2.05 H new ATOM 0 HG2 GLU B 10 8.795 -7.188 -0.723 1.00 1.22 H new ATOM 0 HG3 GLU B 10 10.323 -6.343 -0.879 1.00 1.22 H new ATOM 1792 N GLU B 11 6.465 -7.437 0.909 1.00 1.26 N ATOM 1793 CA GLU B 11 5.605 -8.558 0.544 1.00 1.24 C ATOM 1794 C GLU B 11 4.141 -8.104 0.388 1.00 1.04 C ATOM 1795 O GLU B 11 3.379 -8.738 -0.339 1.00 1.07 O ATOM 1796 CB GLU B 11 5.909 -9.864 1.308 1.00 1.39 C ATOM 1797 CG GLU B 11 4.810 -10.505 2.176 1.00 1.65 C ATOM 1798 CD GLU B 11 4.702 -11.995 1.893 1.00 1.94 C ATOM 1799 OE1 GLU B 11 5.735 -12.686 2.017 1.00 2.64 O ATOM 1800 OE2 GLU B 11 3.640 -12.403 1.374 1.00 2.91 O ATOM 0 H GLU B 11 6.968 -7.521 1.792 1.00 1.26 H new ATOM 0 HA GLU B 11 5.861 -8.896 -0.460 1.00 1.24 H new ATOM 0 HB2 GLU B 11 6.221 -10.607 0.574 1.00 1.39 H new ATOM 0 HB3 GLU B 11 6.766 -9.673 1.954 1.00 1.39 H new ATOM 0 HG2 GLU B 11 5.034 -10.345 3.231 1.00 1.65 H new ATOM 0 HG3 GLU B 11 3.854 -10.022 1.976 1.00 1.65 H new ATOM 1807 N SER B 12 3.768 -6.943 0.952 1.00 1.02 N ATOM 1808 CA SER B 12 2.480 -6.342 0.627 1.00 1.05 C ATOM 1809 C SER B 12 2.518 -5.825 -0.816 1.00 1.00 C ATOM 1810 O SER B 12 1.573 -5.983 -1.589 1.00 1.09 O ATOM 1811 CB SER B 12 2.178 -5.197 1.600 1.00 1.18 C ATOM 1812 OG SER B 12 2.175 -5.660 2.935 1.00 1.59 O ATOM 0 H SER B 12 4.332 -6.417 1.620 1.00 1.02 H new ATOM 0 HA SER B 12 1.691 -7.088 0.720 1.00 1.05 H new ATOM 0 HB2 SER B 12 2.923 -4.410 1.485 1.00 1.18 H new ATOM 0 HB3 SER B 12 1.210 -4.757 1.361 1.00 1.18 H new ATOM 0 HG SER B 12 3.095 -5.842 3.220 1.00 1.59 H new ATOM 1818 N ILE B 13 3.630 -5.184 -1.173 1.00 0.93 N ATOM 1819 CA ILE B 13 3.846 -4.540 -2.453 1.00 0.92 C ATOM 1820 C ILE B 13 3.792 -5.565 -3.580 1.00 0.90 C ATOM 1821 O ILE B 13 3.085 -5.347 -4.563 1.00 0.94 O ATOM 1822 CB ILE B 13 5.176 -3.751 -2.462 1.00 0.90 C ATOM 1823 CG1 ILE B 13 5.213 -2.707 -1.339 1.00 1.04 C ATOM 1824 CG2 ILE B 13 5.463 -3.023 -3.777 1.00 0.89 C ATOM 1825 CD1 ILE B 13 6.617 -2.184 -1.064 1.00 0.98 C ATOM 0 H ILE B 13 4.432 -5.100 -0.549 1.00 0.93 H new ATOM 0 HA ILE B 13 3.044 -3.820 -2.617 1.00 0.92 H new ATOM 0 HB ILE B 13 5.941 -4.514 -2.319 1.00 0.90 H new ATOM 0 HG12 ILE B 13 4.565 -1.872 -1.604 1.00 1.04 H new ATOM 0 HG13 ILE B 13 4.809 -3.147 -0.427 1.00 1.04 H new ATOM 0 HG21 ILE B 13 6.413 -2.495 -3.700 1.00 0.89 H new ATOM 0 HG22 ILE B 13 5.515 -3.747 -4.590 1.00 0.89 H new ATOM 0 HG23 ILE B 13 4.665 -2.308 -3.979 1.00 0.89 H new ATOM 0 HD11 ILE B 13 6.580 -1.449 -0.260 1.00 0.98 H new ATOM 0 HD12 ILE B 13 7.262 -3.012 -0.770 1.00 0.98 H new ATOM 0 HD13 ILE B 13 7.014 -1.717 -1.965 1.00 0.98 H new ATOM 1837 N GLU B 14 4.555 -6.656 -3.461 1.00 0.94 N ATOM 1838 CA GLU B 14 4.636 -7.677 -4.498 1.00 1.06 C ATOM 1839 C GLU B 14 3.236 -8.240 -4.790 1.00 1.11 C ATOM 1840 O GLU B 14 2.804 -8.332 -5.941 1.00 1.20 O ATOM 1841 CB GLU B 14 5.704 -8.721 -4.142 1.00 1.22 C ATOM 1842 CG GLU B 14 5.333 -9.747 -3.076 1.00 1.28 C ATOM 1843 CD GLU B 14 4.605 -10.940 -3.667 1.00 2.17 C ATOM 1844 OE1 GLU B 14 5.214 -11.612 -4.520 1.00 2.66 O ATOM 1845 OE2 GLU B 14 3.494 -11.220 -3.166 1.00 3.20 O ATOM 0 H GLU B 14 5.131 -6.852 -2.642 1.00 0.94 H new ATOM 0 HA GLU B 14 4.975 -7.245 -5.440 1.00 1.06 H new ATOM 0 HB2 GLU B 14 5.971 -9.258 -5.052 1.00 1.22 H new ATOM 0 HB3 GLU B 14 6.598 -8.193 -3.809 1.00 1.22 H new ATOM 0 HG2 GLU B 14 6.236 -10.087 -2.570 1.00 1.28 H new ATOM 0 HG3 GLU B 14 4.704 -9.275 -2.322 1.00 1.28 H new ATOM 1852 N THR B 15 2.505 -8.524 -3.712 1.00 1.10 N ATOM 1853 CA THR B 15 1.130 -8.979 -3.756 1.00 1.15 C ATOM 1854 C THR B 15 0.286 -7.947 -4.500 1.00 1.05 C ATOM 1855 O THR B 15 -0.357 -8.282 -5.492 1.00 1.20 O ATOM 1856 CB THR B 15 0.640 -9.298 -2.338 1.00 1.23 C ATOM 1857 OG1 THR B 15 1.283 -10.482 -1.909 1.00 1.49 O ATOM 1858 CG2 THR B 15 -0.873 -9.530 -2.274 1.00 1.24 C ATOM 0 H THR B 15 2.869 -8.439 -2.763 1.00 1.10 H new ATOM 0 HA THR B 15 1.039 -9.911 -4.313 1.00 1.15 H new ATOM 0 HB THR B 15 0.874 -8.443 -1.704 1.00 1.23 H new ATOM 0 HG1 THR B 15 2.190 -10.514 -2.279 1.00 1.49 H new ATOM 0 HG21 THR B 15 -1.164 -9.752 -1.247 1.00 1.24 H new ATOM 0 HG22 THR B 15 -1.393 -8.634 -2.613 1.00 1.24 H new ATOM 0 HG23 THR B 15 -1.140 -10.369 -2.916 1.00 1.24 H new ATOM 1866 N VAL B 16 0.307 -6.680 -4.075 1.00 0.84 N ATOM 1867 CA VAL B 16 -0.435 -5.636 -4.760 1.00 0.75 C ATOM 1868 C VAL B 16 -0.117 -5.621 -6.263 1.00 0.79 C ATOM 1869 O VAL B 16 -1.038 -5.681 -7.077 1.00 0.82 O ATOM 1870 CB VAL B 16 -0.173 -4.284 -4.083 1.00 0.63 C ATOM 1871 CG1 VAL B 16 -0.610 -3.137 -4.987 1.00 0.62 C ATOM 1872 CG2 VAL B 16 -0.932 -4.163 -2.761 1.00 0.85 C ATOM 0 H VAL B 16 0.831 -6.360 -3.260 1.00 0.84 H new ATOM 0 HA VAL B 16 -1.502 -5.843 -4.681 1.00 0.75 H new ATOM 0 HB VAL B 16 0.899 -4.228 -3.892 1.00 0.63 H new ATOM 0 HG11 VAL B 16 -0.416 -2.187 -4.489 1.00 0.62 H new ATOM 0 HG12 VAL B 16 -0.051 -3.177 -5.922 1.00 0.62 H new ATOM 0 HG13 VAL B 16 -1.676 -3.225 -5.197 1.00 0.62 H new ATOM 0 HG21 VAL B 16 -0.723 -3.193 -2.309 1.00 0.85 H new ATOM 0 HG22 VAL B 16 -2.002 -4.254 -2.946 1.00 0.85 H new ATOM 0 HG23 VAL B 16 -0.612 -4.955 -2.084 1.00 0.85 H new ATOM 1882 N VAL B 17 1.160 -5.531 -6.656 1.00 0.86 N ATOM 1883 CA VAL B 17 1.490 -5.413 -8.076 1.00 0.99 C ATOM 1884 C VAL B 17 0.983 -6.609 -8.890 1.00 1.09 C ATOM 1885 O VAL B 17 0.511 -6.408 -10.010 1.00 1.19 O ATOM 1886 CB VAL B 17 2.965 -5.081 -8.354 1.00 0.97 C ATOM 1887 CG1 VAL B 17 3.335 -3.699 -7.803 1.00 1.18 C ATOM 1888 CG2 VAL B 17 3.924 -6.131 -7.800 1.00 0.98 C ATOM 0 H VAL B 17 1.962 -5.538 -6.026 1.00 0.86 H new ATOM 0 HA VAL B 17 0.943 -4.538 -8.427 1.00 0.99 H new ATOM 0 HB VAL B 17 3.073 -5.078 -9.439 1.00 0.97 H new ATOM 0 HG11 VAL B 17 4.384 -3.492 -8.015 1.00 1.18 H new ATOM 0 HG12 VAL B 17 2.713 -2.940 -8.277 1.00 1.18 H new ATOM 0 HG13 VAL B 17 3.172 -3.681 -6.725 1.00 1.18 H new ATOM 0 HG21 VAL B 17 4.950 -5.842 -8.027 1.00 0.98 H new ATOM 0 HG22 VAL B 17 3.798 -6.205 -6.720 1.00 0.98 H new ATOM 0 HG23 VAL B 17 3.709 -7.097 -8.257 1.00 0.98 H new ATOM 1898 N THR B 18 1.034 -7.838 -8.356 1.00 1.16 N ATOM 1899 CA THR B 18 0.401 -8.946 -9.068 1.00 1.42 C ATOM 1900 C THR B 18 -1.125 -8.801 -9.057 1.00 1.27 C ATOM 1901 O THR B 18 -1.754 -9.050 -10.080 1.00 1.39 O ATOM 1902 CB THR B 18 0.892 -10.330 -8.609 1.00 1.80 C ATOM 1903 OG1 THR B 18 0.482 -11.323 -9.533 1.00 2.48 O ATOM 1904 CG2 THR B 18 0.445 -10.730 -7.204 1.00 1.59 C ATOM 0 H THR B 18 1.486 -8.080 -7.474 1.00 1.16 H new ATOM 0 HA THR B 18 0.720 -8.885 -10.108 1.00 1.42 H new ATOM 0 HB THR B 18 1.979 -10.254 -8.572 1.00 1.80 H new ATOM 0 HG1 THR B 18 -0.495 -11.400 -9.519 1.00 2.48 H new ATOM 0 HG21 THR B 18 0.837 -11.719 -6.965 1.00 1.59 H new ATOM 0 HG22 THR B 18 0.823 -10.006 -6.482 1.00 1.59 H new ATOM 0 HG23 THR B 18 -0.644 -10.751 -7.161 1.00 1.59 H new ATOM 1912 N THR B 19 -1.730 -8.389 -7.936 1.00 1.10 N ATOM 1913 CA THR B 19 -3.181 -8.365 -7.745 1.00 0.96 C ATOM 1914 C THR B 19 -3.921 -7.653 -8.887 1.00 0.88 C ATOM 1915 O THR B 19 -4.992 -8.099 -9.282 1.00 0.88 O ATOM 1916 CB THR B 19 -3.532 -7.813 -6.356 1.00 0.98 C ATOM 1917 OG1 THR B 19 -3.031 -8.682 -5.364 1.00 1.20 O ATOM 1918 CG2 THR B 19 -5.040 -7.714 -6.113 1.00 0.97 C ATOM 0 H THR B 19 -1.212 -8.057 -7.122 1.00 1.10 H new ATOM 0 HA THR B 19 -3.539 -9.394 -7.784 1.00 0.96 H new ATOM 0 HB THR B 19 -3.093 -6.817 -6.309 1.00 0.98 H new ATOM 0 HG1 THR B 19 -2.054 -8.721 -5.427 1.00 1.20 H new ATOM 0 HG21 THR B 19 -5.222 -7.317 -5.114 1.00 0.97 H new ATOM 0 HG22 THR B 19 -5.485 -7.050 -6.854 1.00 0.97 H new ATOM 0 HG23 THR B 19 -5.488 -8.704 -6.197 1.00 0.97 H new ATOM 1926 N PHE B 20 -3.367 -6.582 -9.464 1.00 0.97 N ATOM 1927 CA PHE B 20 -3.986 -5.938 -10.631 1.00 1.10 C ATOM 1928 C PHE B 20 -4.294 -6.930 -11.766 1.00 1.31 C ATOM 1929 O PHE B 20 -5.292 -6.772 -12.467 1.00 1.50 O ATOM 1930 CB PHE B 20 -3.113 -4.801 -11.160 1.00 1.29 C ATOM 1931 CG PHE B 20 -2.877 -3.699 -10.153 1.00 0.90 C ATOM 1932 CD1 PHE B 20 -3.796 -2.646 -10.004 1.00 1.69 C ATOM 1933 CD2 PHE B 20 -1.741 -3.750 -9.334 1.00 1.51 C ATOM 1934 CE1 PHE B 20 -3.506 -1.587 -9.126 1.00 1.46 C ATOM 1935 CE2 PHE B 20 -1.470 -2.709 -8.437 1.00 1.67 C ATOM 1936 CZ PHE B 20 -2.312 -1.590 -8.389 1.00 0.74 C ATOM 0 H PHE B 20 -2.501 -6.145 -9.148 1.00 0.97 H new ATOM 0 HA PHE B 20 -4.936 -5.532 -10.284 1.00 1.10 H new ATOM 0 HB2 PHE B 20 -2.151 -5.208 -11.472 1.00 1.29 H new ATOM 0 HB3 PHE B 20 -3.583 -4.376 -12.047 1.00 1.29 H new ATOM 0 HD1 PHE B 20 -4.721 -2.650 -10.562 1.00 1.69 H new ATOM 0 HD2 PHE B 20 -1.072 -4.595 -9.395 1.00 1.51 H new ATOM 0 HE1 PHE B 20 -4.204 -0.770 -9.019 1.00 1.46 H new ATOM 0 HE2 PHE B 20 -0.613 -2.769 -7.783 1.00 1.67 H new ATOM 0 HZ PHE B 20 -2.043 -0.734 -7.788 1.00 0.74 H new ATOM 1946 N PHE B 21 -3.428 -7.929 -11.962 1.00 1.38 N ATOM 1947 CA PHE B 21 -3.716 -9.101 -12.780 1.00 1.55 C ATOM 1948 C PHE B 21 -4.552 -10.080 -11.952 1.00 1.24 C ATOM 1949 O PHE B 21 -5.674 -10.429 -12.320 1.00 1.80 O ATOM 1950 CB PHE B 21 -2.398 -9.743 -13.253 1.00 1.88 C ATOM 1951 CG PHE B 21 -2.498 -11.159 -13.786 1.00 2.32 C ATOM 1952 CD1 PHE B 21 -3.531 -11.520 -14.670 1.00 4.08 C ATOM 1953 CD2 PHE B 21 -1.528 -12.112 -13.418 1.00 2.38 C ATOM 1954 CE1 PHE B 21 -3.604 -12.832 -15.169 1.00 5.00 C ATOM 1955 CE2 PHE B 21 -1.591 -13.418 -13.933 1.00 3.52 C ATOM 1956 CZ PHE B 21 -2.630 -13.778 -14.809 1.00 4.51 C ATOM 0 H PHE B 21 -2.495 -7.942 -11.549 1.00 1.38 H new ATOM 0 HA PHE B 21 -4.282 -8.819 -13.668 1.00 1.55 H new ATOM 0 HB2 PHE B 21 -1.970 -9.113 -14.033 1.00 1.88 H new ATOM 0 HB3 PHE B 21 -1.696 -9.739 -12.419 1.00 1.88 H new ATOM 0 HD1 PHE B 21 -4.269 -10.789 -14.965 1.00 4.08 H new ATOM 0 HD2 PHE B 21 -0.734 -11.838 -12.739 1.00 2.38 H new ATOM 0 HE1 PHE B 21 -4.410 -13.113 -15.830 1.00 5.00 H new ATOM 0 HE2 PHE B 21 -0.842 -14.145 -13.656 1.00 3.52 H new ATOM 0 HZ PHE B 21 -2.679 -14.782 -15.205 1.00 4.51 H new ATOM 1966 N THR B 22 -4.005 -10.509 -10.814 1.00 1.14 N ATOM 1967 CA THR B 22 -4.514 -11.604 -10.012 1.00 1.80 C ATOM 1968 C THR B 22 -5.667 -11.099 -9.137 1.00 2.18 C ATOM 1969 O THR B 22 -5.555 -11.021 -7.918 1.00 2.74 O ATOM 1970 CB THR B 22 -3.335 -12.161 -9.190 1.00 2.57 C ATOM 1971 OG1 THR B 22 -2.146 -12.122 -9.962 1.00 3.56 O ATOM 1972 CG2 THR B 22 -3.593 -13.598 -8.731 1.00 3.04 C ATOM 0 H THR B 22 -3.167 -10.084 -10.418 1.00 1.14 H new ATOM 0 HA THR B 22 -4.919 -12.409 -10.625 1.00 1.80 H new ATOM 0 HB THR B 22 -3.227 -11.535 -8.305 1.00 2.57 H new ATOM 0 HG1 THR B 22 -2.363 -12.279 -10.905 1.00 3.56 H new ATOM 0 HG21 THR B 22 -2.739 -13.955 -8.155 1.00 3.04 H new ATOM 0 HG22 THR B 22 -4.488 -13.626 -8.109 1.00 3.04 H new ATOM 0 HG23 THR B 22 -3.736 -14.238 -9.602 1.00 3.04 H new ATOM 2097 N LYS B 30 -2.713 -2.163 -17.890 1.00 2.46 N ATOM 2098 CA LYS B 30 -1.736 -1.099 -17.906 1.00 2.40 C ATOM 2099 C LYS B 30 -1.078 -1.119 -16.518 1.00 1.93 C ATOM 2100 O LYS B 30 -0.465 -2.124 -16.163 1.00 2.12 O ATOM 2101 CB LYS B 30 -2.416 0.197 -18.363 1.00 3.02 C ATOM 2102 CG LYS B 30 -2.653 0.239 -19.891 1.00 3.15 C ATOM 2103 CD LYS B 30 -3.995 -0.264 -20.471 1.00 2.97 C ATOM 2104 CE LYS B 30 -4.336 -1.762 -20.446 1.00 3.18 C ATOM 2105 NZ LYS B 30 -3.257 -2.641 -20.951 1.00 4.64 N ATOM 0 HA LYS B 30 -0.927 -1.211 -18.628 1.00 2.40 H new ATOM 0 HB2 LYS B 30 -3.371 0.303 -17.848 1.00 3.02 H new ATOM 0 HB3 LYS B 30 -1.801 1.048 -18.071 1.00 3.02 H new ATOM 0 HG2 LYS B 30 -2.526 1.273 -20.212 1.00 3.15 H new ATOM 0 HG3 LYS B 30 -1.858 -0.340 -20.360 1.00 3.15 H new ATOM 0 HD2 LYS B 30 -4.792 0.257 -19.941 1.00 2.97 H new ATOM 0 HD3 LYS B 30 -4.039 0.060 -21.511 1.00 2.97 H new ATOM 0 HE2 LYS B 30 -4.575 -2.051 -19.423 1.00 3.18 H new ATOM 0 HE3 LYS B 30 -5.233 -1.928 -21.042 1.00 3.18 H new ATOM 0 HZ1 LYS B 30 -3.668 -3.530 -21.300 1.00 4.64 H new ATOM 0 HZ2 LYS B 30 -2.755 -2.164 -21.727 1.00 4.64 H new ATOM 0 HZ3 LYS B 30 -2.588 -2.847 -20.181 1.00 4.64 H new ATOM 2119 N ASP B 31 -1.298 -0.081 -15.706 1.00 2.15 N ATOM 2120 CA ASP B 31 -1.047 -0.139 -14.271 1.00 1.67 C ATOM 2121 C ASP B 31 -2.360 -0.603 -13.622 1.00 1.30 C ATOM 2122 O ASP B 31 -2.558 -1.800 -13.414 1.00 1.44 O ATOM 2123 CB ASP B 31 -0.606 1.228 -13.713 1.00 2.11 C ATOM 2124 CG ASP B 31 0.886 1.575 -13.767 1.00 2.73 C ATOM 2125 OD1 ASP B 31 1.576 1.137 -14.706 1.00 2.56 O ATOM 2126 OD2 ASP B 31 1.329 2.345 -12.873 1.00 4.11 O ATOM 0 H ASP B 31 -1.654 0.819 -16.028 1.00 2.15 H new ATOM 0 HA ASP B 31 -0.231 -0.827 -14.051 1.00 1.67 H new ATOM 0 HB2 ASP B 31 -1.150 2.002 -14.255 1.00 2.11 H new ATOM 0 HB3 ASP B 31 -0.925 1.284 -12.672 1.00 2.11 H new ATOM 2131 N SER B 32 -3.265 0.341 -13.321 1.00 1.41 N ATOM 2132 CA SER B 32 -4.497 0.095 -12.573 1.00 1.20 C ATOM 2133 C SER B 32 -5.744 0.252 -13.463 1.00 1.17 C ATOM 2134 O SER B 32 -5.713 -0.138 -14.629 1.00 1.25 O ATOM 2135 CB SER B 32 -4.494 1.007 -11.338 1.00 1.20 C ATOM 2136 OG SER B 32 -5.599 0.774 -10.481 1.00 1.97 O ATOM 0 H SER B 32 -3.154 1.316 -13.599 1.00 1.41 H new ATOM 0 HA SER B 32 -4.539 -0.939 -12.232 1.00 1.20 H new ATOM 0 HB2 SER B 32 -3.570 0.854 -10.781 1.00 1.20 H new ATOM 0 HB3 SER B 32 -4.503 2.048 -11.661 1.00 1.20 H new ATOM 0 HG SER B 32 -5.549 1.378 -9.711 1.00 1.97 H new ATOM 2142 N LEU B 33 -6.846 0.750 -12.887 1.00 1.11 N ATOM 2143 CA LEU B 33 -8.181 0.858 -13.480 1.00 1.08 C ATOM 2144 C LEU B 33 -8.561 2.332 -13.594 1.00 1.18 C ATOM 2145 O LEU B 33 -7.821 3.201 -13.136 1.00 1.56 O ATOM 2146 CB LEU B 33 -9.255 0.177 -12.608 1.00 0.95 C ATOM 2147 CG LEU B 33 -9.117 -1.316 -12.295 1.00 1.05 C ATOM 2148 CD1 LEU B 33 -8.876 -2.160 -13.549 1.00 1.82 C ATOM 2149 CD2 LEU B 33 -8.040 -1.548 -11.243 1.00 1.09 C ATOM 0 H LEU B 33 -6.825 1.111 -11.933 1.00 1.11 H new ATOM 0 HA LEU B 33 -8.144 0.369 -14.453 1.00 1.08 H new ATOM 0 HB2 LEU B 33 -9.295 0.710 -11.658 1.00 0.95 H new ATOM 0 HB3 LEU B 33 -10.218 0.324 -13.097 1.00 0.95 H new ATOM 0 HG LEU B 33 -10.070 -1.650 -11.885 1.00 1.05 H new ATOM 0 HD11 LEU B 33 -8.786 -3.210 -13.269 1.00 1.82 H new ATOM 0 HD12 LEU B 33 -9.713 -2.038 -14.236 1.00 1.82 H new ATOM 0 HD13 LEU B 33 -7.957 -1.834 -14.036 1.00 1.82 H new ATOM 0 HD21 LEU B 33 -7.958 -2.615 -11.035 1.00 1.09 H new ATOM 0 HD22 LEU B 33 -7.084 -1.176 -11.612 1.00 1.09 H new ATOM 0 HD23 LEU B 33 -8.306 -1.019 -10.328 1.00 1.09 H new ATOM 2161 N SER B 34 -9.739 2.612 -14.150 1.00 1.01 N ATOM 2162 CA SER B 34 -10.248 3.977 -14.265 1.00 1.00 C ATOM 2163 C SER B 34 -10.628 4.503 -12.882 1.00 1.01 C ATOM 2164 O SER B 34 -11.169 3.750 -12.077 1.00 1.22 O ATOM 2165 CB SER B 34 -11.443 4.018 -15.223 1.00 1.00 C ATOM 2166 OG SER B 34 -10.984 3.975 -16.559 1.00 1.58 O ATOM 0 H SER B 34 -10.364 1.902 -14.532 1.00 1.01 H new ATOM 0 HA SER B 34 -9.470 4.621 -14.675 1.00 1.00 H new ATOM 0 HB2 SER B 34 -12.106 3.175 -15.029 1.00 1.00 H new ATOM 0 HB3 SER B 34 -12.024 4.925 -15.057 1.00 1.00 H new ATOM 0 HG SER B 34 -10.806 4.886 -16.873 1.00 1.58 H new ATOM 2172 N VAL B 35 -10.360 5.781 -12.587 1.00 0.93 N ATOM 2173 CA VAL B 35 -10.638 6.337 -11.262 1.00 1.07 C ATOM 2174 C VAL B 35 -12.097 6.113 -10.841 1.00 1.11 C ATOM 2175 O VAL B 35 -12.373 5.709 -9.709 1.00 1.33 O ATOM 2176 CB VAL B 35 -10.362 7.846 -11.175 1.00 1.27 C ATOM 2177 CG1 VAL B 35 -10.011 8.209 -9.729 1.00 1.21 C ATOM 2178 CG2 VAL B 35 -9.239 8.382 -12.072 1.00 1.51 C ATOM 0 H VAL B 35 -9.953 6.445 -13.246 1.00 0.93 H new ATOM 0 HA VAL B 35 -9.961 5.806 -10.593 1.00 1.07 H new ATOM 0 HB VAL B 35 -11.281 8.311 -11.531 1.00 1.27 H new ATOM 0 HG11 VAL B 35 -9.814 9.279 -9.660 1.00 1.21 H new ATOM 0 HG12 VAL B 35 -10.845 7.951 -9.076 1.00 1.21 H new ATOM 0 HG13 VAL B 35 -9.124 7.656 -9.420 1.00 1.21 H new ATOM 0 HG21 VAL B 35 -9.137 9.457 -11.924 1.00 1.51 H new ATOM 0 HG22 VAL B 35 -8.301 7.890 -11.814 1.00 1.51 H new ATOM 0 HG23 VAL B 35 -9.480 8.180 -13.116 1.00 1.51 H new ATOM 2188 N ASN B 36 -13.030 6.456 -11.737 1.00 1.07 N ATOM 2189 CA ASN B 36 -14.454 6.498 -11.424 1.00 1.38 C ATOM 2190 C ASN B 36 -14.894 5.129 -10.900 1.00 1.42 C ATOM 2191 O ASN B 36 -15.375 4.992 -9.778 1.00 1.60 O ATOM 2192 CB ASN B 36 -15.267 6.863 -12.679 1.00 1.52 C ATOM 2193 CG ASN B 36 -16.632 7.412 -12.286 1.00 2.52 C ATOM 2194 OD1 ASN B 36 -16.667 8.636 -11.763 1.00 3.70 O flip ATOM 2195 ND2 ASN B 36 -17.648 6.751 -12.456 1.00 2.70 N flip ATOM 0 H ASN B 36 -12.813 6.712 -12.700 1.00 1.07 H new ATOM 0 HA ASN B 36 -14.632 7.258 -10.663 1.00 1.38 H new ATOM 0 HB2 ASN B 36 -14.726 7.604 -13.268 1.00 1.52 H new ATOM 0 HB3 ASN B 36 -15.390 5.982 -13.309 1.00 1.52 H new ATOM 0 HD21 ASN B 36 -17.587 5.816 -12.859 1.00 2.70 H new ATOM 0 HD22 ASN B 36 -18.556 7.135 -12.194 1.00 2.70 H new ATOM 2202 N GLU B 37 -14.646 4.123 -11.744 1.00 1.31 N ATOM 2203 CA GLU B 37 -14.801 2.703 -11.489 1.00 1.34 C ATOM 2204 C GLU B 37 -14.110 2.357 -10.170 1.00 1.38 C ATOM 2205 O GLU B 37 -14.750 1.912 -9.218 1.00 1.53 O ATOM 2206 CB GLU B 37 -14.156 1.996 -12.695 1.00 1.31 C ATOM 2207 CG GLU B 37 -13.968 0.478 -12.592 1.00 1.32 C ATOM 2208 CD GLU B 37 -13.125 -0.057 -13.750 1.00 1.93 C ATOM 2209 OE1 GLU B 37 -12.264 0.710 -14.243 1.00 2.62 O ATOM 2210 OE2 GLU B 37 -13.341 -1.233 -14.107 1.00 2.79 O ATOM 0 H GLU B 37 -14.308 4.302 -12.689 1.00 1.31 H new ATOM 0 HA GLU B 37 -15.840 2.391 -11.387 1.00 1.34 H new ATOM 0 HB2 GLU B 37 -14.765 2.203 -13.575 1.00 1.31 H new ATOM 0 HB3 GLU B 37 -13.179 2.447 -12.870 1.00 1.31 H new ATOM 0 HG2 GLU B 37 -13.487 0.232 -11.645 1.00 1.32 H new ATOM 0 HG3 GLU B 37 -14.942 -0.012 -12.591 1.00 1.32 H new ATOM 2217 N PHE B 38 -12.797 2.600 -10.122 1.00 1.27 N ATOM 2218 CA PHE B 38 -11.934 2.319 -8.989 1.00 1.20 C ATOM 2219 C PHE B 38 -12.590 2.722 -7.669 1.00 1.18 C ATOM 2220 O PHE B 38 -12.650 1.891 -6.770 1.00 1.16 O ATOM 2221 CB PHE B 38 -10.562 2.976 -9.195 1.00 1.19 C ATOM 2222 CG PHE B 38 -9.701 3.049 -7.954 1.00 1.17 C ATOM 2223 CD1 PHE B 38 -8.842 1.988 -7.619 1.00 1.71 C ATOM 2224 CD2 PHE B 38 -9.821 4.154 -7.091 1.00 2.76 C ATOM 2225 CE1 PHE B 38 -8.100 2.040 -6.426 1.00 1.89 C ATOM 2226 CE2 PHE B 38 -9.124 4.176 -5.874 1.00 2.79 C ATOM 2227 CZ PHE B 38 -8.231 3.138 -5.560 1.00 1.48 C ATOM 0 H PHE B 38 -12.294 3.014 -10.907 1.00 1.27 H new ATOM 0 HA PHE B 38 -11.776 1.242 -8.927 1.00 1.20 H new ATOM 0 HB2 PHE B 38 -10.022 2.423 -9.963 1.00 1.19 H new ATOM 0 HB3 PHE B 38 -10.712 3.986 -9.576 1.00 1.19 H new ATOM 0 HD1 PHE B 38 -8.752 1.136 -8.276 1.00 1.71 H new ATOM 0 HD2 PHE B 38 -10.451 4.987 -7.366 1.00 2.76 H new ATOM 0 HE1 PHE B 38 -7.427 1.233 -6.175 1.00 1.89 H new ATOM 0 HE2 PHE B 38 -9.274 4.990 -5.180 1.00 2.79 H new ATOM 0 HZ PHE B 38 -7.646 3.184 -4.654 1.00 1.48 H new ATOM 2237 N LYS B 39 -13.083 3.962 -7.530 1.00 1.20 N ATOM 2238 CA LYS B 39 -13.647 4.423 -6.260 1.00 1.16 C ATOM 2239 C LYS B 39 -14.747 3.474 -5.765 1.00 1.22 C ATOM 2240 O LYS B 39 -14.789 3.119 -4.582 1.00 1.23 O ATOM 2241 CB LYS B 39 -14.139 5.881 -6.366 1.00 1.25 C ATOM 2242 CG LYS B 39 -14.243 6.592 -5.003 1.00 1.26 C ATOM 2243 CD LYS B 39 -15.493 6.228 -4.177 1.00 2.02 C ATOM 2244 CE LYS B 39 -15.118 5.754 -2.760 1.00 3.31 C ATOM 2245 NZ LYS B 39 -16.300 5.359 -1.964 1.00 4.58 N ATOM 0 H LYS B 39 -13.101 4.656 -8.277 1.00 1.20 H new ATOM 0 HA LYS B 39 -12.854 4.408 -5.512 1.00 1.16 H new ATOM 0 HB2 LYS B 39 -13.459 6.440 -7.008 1.00 1.25 H new ATOM 0 HB3 LYS B 39 -15.116 5.893 -6.849 1.00 1.25 H new ATOM 0 HG2 LYS B 39 -13.355 6.354 -4.417 1.00 1.26 H new ATOM 0 HG3 LYS B 39 -14.236 7.669 -5.170 1.00 1.26 H new ATOM 0 HD2 LYS B 39 -16.150 7.095 -4.109 1.00 2.02 H new ATOM 0 HD3 LYS B 39 -16.052 5.444 -4.688 1.00 2.02 H new ATOM 0 HE2 LYS B 39 -14.434 4.909 -2.832 1.00 3.31 H new ATOM 0 HE3 LYS B 39 -14.585 6.552 -2.242 1.00 3.31 H new ATOM 0 HZ1 LYS B 39 -16.015 5.195 -0.977 1.00 4.58 H new ATOM 0 HZ2 LYS B 39 -17.010 6.118 -1.998 1.00 4.58 H new ATOM 0 HZ3 LYS B 39 -16.707 4.486 -2.357 1.00 4.58 H new ATOM 2259 N GLU B 40 -15.653 3.071 -6.657 1.00 1.31 N ATOM 2260 CA GLU B 40 -16.732 2.166 -6.300 1.00 1.39 C ATOM 2261 C GLU B 40 -16.182 0.761 -6.055 1.00 1.31 C ATOM 2262 O GLU B 40 -16.479 0.141 -5.034 1.00 1.34 O ATOM 2263 CB GLU B 40 -17.820 2.189 -7.377 1.00 1.54 C ATOM 2264 CG GLU B 40 -18.372 3.613 -7.552 1.00 1.58 C ATOM 2265 CD GLU B 40 -19.678 3.638 -8.338 1.00 1.99 C ATOM 2266 OE1 GLU B 40 -19.991 2.604 -8.966 1.00 2.26 O ATOM 2267 OE2 GLU B 40 -20.347 4.691 -8.270 1.00 2.88 O ATOM 0 H GLU B 40 -15.656 3.362 -7.635 1.00 1.31 H new ATOM 0 HA GLU B 40 -17.194 2.497 -5.370 1.00 1.39 H new ATOM 0 HB2 GLU B 40 -17.412 1.832 -8.323 1.00 1.54 H new ATOM 0 HB3 GLU B 40 -18.627 1.511 -7.102 1.00 1.54 H new ATOM 0 HG2 GLU B 40 -18.533 4.060 -6.571 1.00 1.58 H new ATOM 0 HG3 GLU B 40 -17.631 4.226 -8.064 1.00 1.58 H new ATOM 2274 N LEU B 41 -15.352 0.265 -6.975 1.00 1.30 N ATOM 2275 CA LEU B 41 -14.723 -1.042 -6.845 1.00 1.25 C ATOM 2276 C LEU B 41 -14.049 -1.188 -5.478 1.00 1.09 C ATOM 2277 O LEU B 41 -14.345 -2.132 -4.751 1.00 1.05 O ATOM 2278 CB LEU B 41 -13.748 -1.288 -8.009 1.00 1.37 C ATOM 2279 CG LEU B 41 -14.364 -2.034 -9.209 1.00 1.82 C ATOM 2280 CD1 LEU B 41 -14.578 -3.520 -8.898 1.00 2.03 C ATOM 2281 CD2 LEU B 41 -15.673 -1.413 -9.712 1.00 3.54 C ATOM 0 H LEU B 41 -15.100 0.762 -7.830 1.00 1.30 H new ATOM 0 HA LEU B 41 -15.493 -1.812 -6.901 1.00 1.25 H new ATOM 0 HB2 LEU B 41 -13.362 -0.328 -8.353 1.00 1.37 H new ATOM 0 HB3 LEU B 41 -12.897 -1.860 -7.639 1.00 1.37 H new ATOM 0 HG LEU B 41 -13.634 -1.935 -10.013 1.00 1.82 H new ATOM 0 HD11 LEU B 41 -15.014 -4.014 -9.766 1.00 2.03 H new ATOM 0 HD12 LEU B 41 -13.621 -3.983 -8.659 1.00 2.03 H new ATOM 0 HD13 LEU B 41 -15.252 -3.620 -8.047 1.00 2.03 H new ATOM 0 HD21 LEU B 41 -16.048 -1.990 -10.557 1.00 3.54 H new ATOM 0 HD22 LEU B 41 -16.411 -1.421 -8.910 1.00 3.54 H new ATOM 0 HD23 LEU B 41 -15.491 -0.385 -10.027 1.00 3.54 H new ATOM 2293 N VAL B 42 -13.181 -0.259 -5.070 1.00 1.05 N ATOM 2294 CA VAL B 42 -12.502 -0.413 -3.792 1.00 0.94 C ATOM 2295 C VAL B 42 -13.497 -0.486 -2.635 1.00 0.89 C ATOM 2296 O VAL B 42 -13.390 -1.387 -1.808 1.00 0.85 O ATOM 2297 CB VAL B 42 -11.380 0.609 -3.557 1.00 0.92 C ATOM 2298 CG1 VAL B 42 -10.274 0.433 -4.598 1.00 1.44 C ATOM 2299 CG2 VAL B 42 -11.843 2.070 -3.506 1.00 2.02 C ATOM 0 H VAL B 42 -12.940 0.583 -5.592 1.00 1.05 H new ATOM 0 HA VAL B 42 -11.988 -1.373 -3.835 1.00 0.94 H new ATOM 0 HB VAL B 42 -10.995 0.395 -2.560 1.00 0.92 H new ATOM 0 HG11 VAL B 42 -9.486 1.164 -4.419 1.00 1.44 H new ATOM 0 HG12 VAL B 42 -9.860 -0.573 -4.523 1.00 1.44 H new ATOM 0 HG13 VAL B 42 -10.687 0.582 -5.596 1.00 1.44 H new ATOM 0 HG21 VAL B 42 -10.983 2.718 -3.337 1.00 2.02 H new ATOM 0 HG22 VAL B 42 -12.316 2.335 -4.451 1.00 2.02 H new ATOM 0 HG23 VAL B 42 -12.559 2.197 -2.694 1.00 2.02 H new ATOM 2309 N THR B 43 -14.491 0.406 -2.566 1.00 0.99 N ATOM 2310 CA THR B 43 -15.439 0.313 -1.459 1.00 1.05 C ATOM 2311 C THR B 43 -16.142 -1.056 -1.493 1.00 1.04 C ATOM 2312 O THR B 43 -16.217 -1.733 -0.470 1.00 1.07 O ATOM 2313 CB THR B 43 -16.338 1.564 -1.353 1.00 1.35 C ATOM 2314 OG1 THR B 43 -16.742 1.762 -0.015 1.00 1.74 O ATOM 2315 CG2 THR B 43 -17.592 1.550 -2.227 1.00 1.56 C ATOM 0 H THR B 43 -14.654 1.164 -3.229 1.00 0.99 H new ATOM 0 HA THR B 43 -14.915 0.334 -0.503 1.00 1.05 H new ATOM 0 HB THR B 43 -15.711 2.376 -1.721 1.00 1.35 H new ATOM 0 HG1 THR B 43 -16.859 2.720 0.153 1.00 1.74 H new ATOM 0 HG21 THR B 43 -18.151 2.474 -2.076 1.00 1.56 H new ATOM 0 HG22 THR B 43 -17.304 1.467 -3.275 1.00 1.56 H new ATOM 0 HG23 THR B 43 -18.216 0.699 -1.954 1.00 1.56 H new ATOM 2323 N GLN B 44 -16.540 -1.540 -2.679 1.00 1.16 N ATOM 2324 CA GLN B 44 -17.066 -2.898 -2.828 1.00 1.17 C ATOM 2325 C GLN B 44 -16.089 -3.958 -2.292 1.00 1.09 C ATOM 2326 O GLN B 44 -16.514 -4.886 -1.608 1.00 1.10 O ATOM 2327 CB GLN B 44 -17.428 -3.190 -4.292 1.00 1.32 C ATOM 2328 CG GLN B 44 -18.584 -2.325 -4.811 1.00 2.00 C ATOM 2329 CD GLN B 44 -18.688 -2.375 -6.334 1.00 2.73 C ATOM 2330 OE1 GLN B 44 -18.089 -3.227 -6.984 1.00 3.21 O ATOM 2331 NE2 GLN B 44 -19.449 -1.459 -6.927 1.00 3.73 N ATOM 0 H GLN B 44 -16.506 -1.007 -3.548 1.00 1.16 H new ATOM 0 HA GLN B 44 -17.973 -2.956 -2.227 1.00 1.17 H new ATOM 0 HB2 GLN B 44 -16.550 -3.025 -4.917 1.00 1.32 H new ATOM 0 HB3 GLN B 44 -17.697 -4.242 -4.391 1.00 1.32 H new ATOM 0 HG2 GLN B 44 -19.521 -2.667 -4.371 1.00 2.00 H new ATOM 0 HG3 GLN B 44 -18.439 -1.293 -4.490 1.00 2.00 H new ATOM 0 HE21 GLN B 44 -19.937 -0.761 -6.366 1.00 3.73 H new ATOM 0 HE22 GLN B 44 -19.544 -1.455 -7.943 1.00 3.73 H new ATOM 2340 N GLN B 45 -14.789 -3.843 -2.593 1.00 1.07 N ATOM 2341 CA GLN B 45 -13.767 -4.762 -2.090 1.00 1.04 C ATOM 2342 C GLN B 45 -13.662 -4.723 -0.561 1.00 0.94 C ATOM 2343 O GLN B 45 -13.228 -5.715 0.030 1.00 0.94 O ATOM 2344 CB GLN B 45 -12.386 -4.483 -2.708 1.00 1.14 C ATOM 2345 CG GLN B 45 -12.137 -5.173 -4.058 1.00 1.11 C ATOM 2346 CD GLN B 45 -13.001 -4.688 -5.216 1.00 1.43 C ATOM 2347 OE1 GLN B 45 -12.525 -3.955 -6.077 1.00 2.22 O ATOM 2348 NE2 GLN B 45 -14.252 -5.130 -5.286 1.00 1.77 N ATOM 0 H GLN B 45 -14.418 -3.107 -3.194 1.00 1.07 H new ATOM 0 HA GLN B 45 -14.087 -5.759 -2.391 1.00 1.04 H new ATOM 0 HB2 GLN B 45 -12.272 -3.407 -2.839 1.00 1.14 H new ATOM 0 HB3 GLN B 45 -11.617 -4.802 -2.005 1.00 1.14 H new ATOM 0 HG2 GLN B 45 -11.090 -5.036 -4.328 1.00 1.11 H new ATOM 0 HG3 GLN B 45 -12.297 -6.244 -3.933 1.00 1.11 H new ATOM 0 HE21 GLN B 45 -14.620 -5.738 -4.555 1.00 1.77 H new ATOM 0 HE22 GLN B 45 -14.845 -4.861 -6.071 1.00 1.77 H new ATOM 2357 N LEU B 46 -14.029 -3.598 0.065 1.00 0.91 N ATOM 2358 CA LEU B 46 -14.038 -3.410 1.511 1.00 0.91 C ATOM 2359 C LEU B 46 -15.473 -3.391 2.065 1.00 0.94 C ATOM 2360 O LEU B 46 -15.923 -2.354 2.554 1.00 0.99 O ATOM 2361 CB LEU B 46 -13.314 -2.100 1.864 1.00 0.97 C ATOM 2362 CG LEU B 46 -11.794 -2.173 1.649 1.00 1.04 C ATOM 2363 CD1 LEU B 46 -11.326 -1.648 0.292 1.00 1.24 C ATOM 2364 CD2 LEU B 46 -11.090 -1.412 2.779 1.00 1.70 C ATOM 0 H LEU B 46 -14.337 -2.769 -0.443 1.00 0.91 H new ATOM 0 HA LEU B 46 -13.517 -4.250 1.970 1.00 0.91 H new ATOM 0 HB2 LEU B 46 -13.722 -1.292 1.257 1.00 0.97 H new ATOM 0 HB3 LEU B 46 -13.516 -1.850 2.906 1.00 0.97 H new ATOM 0 HG LEU B 46 -11.527 -3.230 1.662 1.00 1.04 H new ATOM 0 HD11 LEU B 46 -10.242 -1.736 0.222 1.00 1.24 H new ATOM 0 HD12 LEU B 46 -11.789 -2.232 -0.503 1.00 1.24 H new ATOM 0 HD13 LEU B 46 -11.613 -0.602 0.188 1.00 1.24 H new ATOM 0 HD21 LEU B 46 -10.011 -1.460 2.633 1.00 1.70 H new ATOM 0 HD22 LEU B 46 -11.411 -0.370 2.772 1.00 1.70 H new ATOM 0 HD23 LEU B 46 -11.347 -1.864 3.737 1.00 1.70 H new ATOM 2376 N PRO B 47 -16.190 -4.528 2.097 1.00 0.94 N ATOM 2377 CA PRO B 47 -17.556 -4.571 2.597 1.00 0.98 C ATOM 2378 C PRO B 47 -17.650 -4.396 4.120 1.00 1.04 C ATOM 2379 O PRO B 47 -18.759 -4.326 4.646 1.00 1.27 O ATOM 2380 CB PRO B 47 -18.099 -5.934 2.164 1.00 1.06 C ATOM 2381 CG PRO B 47 -16.849 -6.808 2.190 1.00 1.05 C ATOM 2382 CD PRO B 47 -15.768 -5.857 1.680 1.00 0.95 C ATOM 0 HA PRO B 47 -18.136 -3.742 2.192 1.00 0.98 H new ATOM 0 HB2 PRO B 47 -18.866 -6.301 2.846 1.00 1.06 H new ATOM 0 HB3 PRO B 47 -18.547 -5.896 1.171 1.00 1.06 H new ATOM 0 HG2 PRO B 47 -16.629 -7.171 3.194 1.00 1.05 H new ATOM 0 HG3 PRO B 47 -16.953 -7.684 1.550 1.00 1.05 H new ATOM 0 HD2 PRO B 47 -14.794 -6.109 2.100 1.00 0.95 H new ATOM 0 HD3 PRO B 47 -15.673 -5.916 0.596 1.00 0.95 H new ATOM 2390 N HIS B 48 -16.512 -4.340 4.827 1.00 1.08 N ATOM 2391 CA HIS B 48 -16.411 -4.235 6.280 1.00 1.17 C ATOM 2392 C HIS B 48 -17.441 -3.264 6.875 1.00 1.39 C ATOM 2393 O HIS B 48 -18.112 -3.613 7.845 1.00 2.29 O ATOM 2394 CB HIS B 48 -14.973 -3.843 6.651 1.00 1.27 C ATOM 2395 CG HIS B 48 -14.710 -3.783 8.136 1.00 1.72 C ATOM 2396 ND1 HIS B 48 -14.253 -4.817 8.927 1.00 3.07 N ATOM 2397 CD2 HIS B 48 -14.848 -2.679 8.938 1.00 2.52 C ATOM 2398 CE1 HIS B 48 -14.148 -4.339 10.180 1.00 3.63 C ATOM 2399 NE2 HIS B 48 -14.474 -3.035 10.236 1.00 3.26 N ATOM 0 H HIS B 48 -15.598 -4.368 4.375 1.00 1.08 H new ATOM 0 HA HIS B 48 -16.645 -5.206 6.716 1.00 1.17 H new ATOM 0 HB2 HIS B 48 -14.286 -4.559 6.201 1.00 1.27 H new ATOM 0 HB3 HIS B 48 -14.750 -2.869 6.215 1.00 1.27 H new ATOM 0 HD1 HIS B 48 -14.036 -5.765 8.620 1.00 3.07 H new ATOM 0 HD2 HIS B 48 -15.187 -1.704 8.621 1.00 2.52 H new ATOM 0 HE1 HIS B 48 -13.841 -4.927 11.032 1.00 3.63 H new ATOM 2407 N LEU B 49 -17.575 -2.058 6.301 1.00 1.32 N ATOM 2408 CA LEU B 49 -18.641 -1.130 6.689 1.00 1.50 C ATOM 2409 C LEU B 49 -18.948 -0.046 5.643 1.00 1.52 C ATOM 2410 O LEU B 49 -20.066 0.462 5.635 1.00 1.58 O ATOM 2411 CB LEU B 49 -18.396 -0.533 8.090 1.00 1.65 C ATOM 2412 CG LEU B 49 -19.702 -0.023 8.734 1.00 2.05 C ATOM 2413 CD1 LEU B 49 -19.849 -0.583 10.150 1.00 2.52 C ATOM 2414 CD2 LEU B 49 -19.744 1.507 8.793 1.00 2.69 C ATOM 0 H LEU B 49 -16.958 -1.706 5.569 1.00 1.32 H new ATOM 0 HA LEU B 49 -19.546 -1.735 6.738 1.00 1.50 H new ATOM 0 HB2 LEU B 49 -17.945 -1.289 8.733 1.00 1.65 H new ATOM 0 HB3 LEU B 49 -17.683 0.288 8.015 1.00 1.65 H new ATOM 0 HG LEU B 49 -20.527 -0.368 8.110 1.00 2.05 H new ATOM 0 HD11 LEU B 49 -20.775 -0.215 10.592 1.00 2.52 H new ATOM 0 HD12 LEU B 49 -19.874 -1.672 10.110 1.00 2.52 H new ATOM 0 HD13 LEU B 49 -19.003 -0.262 10.758 1.00 2.52 H new ATOM 0 HD21 LEU B 49 -20.679 1.828 9.253 1.00 2.69 H new ATOM 0 HD22 LEU B 49 -18.905 1.871 9.385 1.00 2.69 H new ATOM 0 HD23 LEU B 49 -19.679 1.912 7.783 1.00 2.69 H new ATOM 2426 N LEU B 50 -18.003 0.313 4.760 1.00 1.68 N ATOM 2427 CA LEU B 50 -18.251 1.211 3.628 1.00 1.98 C ATOM 2428 C LEU B 50 -18.623 2.610 4.125 1.00 1.79 C ATOM 2429 O LEU B 50 -19.588 3.221 3.675 1.00 1.86 O ATOM 2430 CB LEU B 50 -19.336 0.640 2.698 1.00 2.43 C ATOM 2431 CG LEU B 50 -19.107 -0.840 2.339 1.00 2.79 C ATOM 2432 CD1 LEU B 50 -20.245 -1.716 2.875 1.00 4.62 C ATOM 2433 CD2 LEU B 50 -18.991 -0.985 0.827 1.00 3.33 C ATOM 0 H LEU B 50 -17.039 -0.016 4.815 1.00 1.68 H new ATOM 0 HA LEU B 50 -17.332 1.293 3.047 1.00 1.98 H new ATOM 0 HB2 LEU B 50 -20.309 0.745 3.178 1.00 2.43 H new ATOM 0 HB3 LEU B 50 -19.367 1.229 1.782 1.00 2.43 H new ATOM 0 HG LEU B 50 -18.180 -1.175 2.805 1.00 2.79 H new ATOM 0 HD11 LEU B 50 -20.060 -2.757 2.608 1.00 4.62 H new ATOM 0 HD12 LEU B 50 -20.296 -1.623 3.960 1.00 4.62 H new ATOM 0 HD13 LEU B 50 -21.190 -1.392 2.438 1.00 4.62 H new ATOM 0 HD21 LEU B 50 -18.829 -2.033 0.573 1.00 3.33 H new ATOM 0 HD22 LEU B 50 -19.910 -0.636 0.356 1.00 3.33 H new ATOM 0 HD23 LEU B 50 -18.151 -0.391 0.468 1.00 3.33 H new ATOM 2445 N LYS B 51 -17.875 3.091 5.119 1.00 1.63 N ATOM 2446 CA LYS B 51 -18.244 4.278 5.875 1.00 1.56 C ATOM 2447 C LYS B 51 -17.882 5.569 5.133 1.00 1.61 C ATOM 2448 O LYS B 51 -18.522 6.595 5.339 1.00 1.56 O ATOM 2449 CB LYS B 51 -17.598 4.199 7.261 1.00 1.53 C ATOM 2450 CG LYS B 51 -16.081 4.404 7.201 1.00 1.58 C ATOM 2451 CD LYS B 51 -15.703 5.889 7.361 1.00 1.79 C ATOM 2452 CE LYS B 51 -15.445 6.295 8.820 1.00 1.87 C ATOM 2453 NZ LYS B 51 -16.703 6.553 9.548 1.00 2.99 N ATOM 0 H LYS B 51 -16.998 2.666 5.419 1.00 1.63 H new ATOM 0 HA LYS B 51 -19.327 4.308 5.992 1.00 1.56 H new ATOM 0 HB2 LYS B 51 -18.040 4.954 7.910 1.00 1.53 H new ATOM 0 HB3 LYS B 51 -17.815 3.228 7.707 1.00 1.53 H new ATOM 0 HG2 LYS B 51 -15.603 3.819 7.987 1.00 1.58 H new ATOM 0 HG3 LYS B 51 -15.700 4.031 6.250 1.00 1.58 H new ATOM 0 HD2 LYS B 51 -14.811 6.096 6.770 1.00 1.79 H new ATOM 0 HD3 LYS B 51 -16.504 6.507 6.955 1.00 1.79 H new ATOM 0 HE2 LYS B 51 -14.889 5.505 9.324 1.00 1.87 H new ATOM 0 HE3 LYS B 51 -14.821 7.189 8.844 1.00 1.87 H new ATOM 0 HZ1 LYS B 51 -16.495 7.061 10.431 1.00 2.99 H new ATOM 0 HZ2 LYS B 51 -17.334 7.131 8.957 1.00 2.99 H new ATOM 0 HZ3 LYS B 51 -17.168 5.649 9.769 1.00 2.99 H new ATOM 2467 N ASP B 52 -16.778 5.503 4.384 1.00 1.73 N ATOM 2468 CA ASP B 52 -16.196 6.466 3.468 1.00 1.76 C ATOM 2469 C ASP B 52 -16.472 7.934 3.813 1.00 1.72 C ATOM 2470 O ASP B 52 -17.472 8.490 3.372 1.00 1.87 O ATOM 2471 CB ASP B 52 -16.531 6.074 2.019 1.00 2.01 C ATOM 2472 CG ASP B 52 -16.167 4.630 1.658 1.00 2.39 C ATOM 2473 OD1 ASP B 52 -15.911 3.823 2.583 1.00 2.85 O ATOM 2474 OD2 ASP B 52 -16.177 4.337 0.437 1.00 3.35 O ATOM 0 H ASP B 52 -16.204 4.661 4.417 1.00 1.73 H new ATOM 0 HA ASP B 52 -15.113 6.413 3.584 1.00 1.76 H new ATOM 0 HB2 ASP B 52 -17.598 6.220 1.853 1.00 2.01 H new ATOM 0 HB3 ASP B 52 -16.007 6.749 1.342 1.00 2.01 H new ATOM 2479 N VAL B 53 -15.578 8.575 4.585 1.00 1.67 N ATOM 2480 CA VAL B 53 -15.662 10.002 4.874 1.00 1.78 C ATOM 2481 C VAL B 53 -14.270 10.637 4.975 1.00 1.64 C ATOM 2482 O VAL B 53 -13.332 9.982 5.431 1.00 1.70 O ATOM 2483 CB VAL B 53 -16.520 10.228 6.131 1.00 2.18 C ATOM 2484 CG1 VAL B 53 -15.806 9.780 7.410 1.00 2.32 C ATOM 2485 CG2 VAL B 53 -16.928 11.699 6.259 1.00 3.20 C ATOM 0 H VAL B 53 -14.781 8.112 5.022 1.00 1.67 H new ATOM 0 HA VAL B 53 -16.156 10.508 4.044 1.00 1.78 H new ATOM 0 HB VAL B 53 -17.413 9.614 6.011 1.00 2.18 H new ATOM 0 HG11 VAL B 53 -16.452 9.960 8.269 1.00 2.32 H new ATOM 0 HG12 VAL B 53 -15.576 8.716 7.345 1.00 2.32 H new ATOM 0 HG13 VAL B 53 -14.881 10.344 7.527 1.00 2.32 H new ATOM 0 HG21 VAL B 53 -17.534 11.832 7.155 1.00 3.20 H new ATOM 0 HG22 VAL B 53 -16.035 12.320 6.329 1.00 3.20 H new ATOM 0 HG23 VAL B 53 -17.506 11.994 5.383 1.00 3.20 H new ATOM 2495 N GLY B 54 -14.122 11.893 4.536 1.00 1.88 N ATOM 2496 CA GLY B 54 -12.927 12.713 4.697 1.00 1.86 C ATOM 2497 C GLY B 54 -11.855 12.290 3.703 1.00 1.59 C ATOM 2498 O GLY B 54 -11.579 12.963 2.712 1.00 1.84 O ATOM 0 H GLY B 54 -14.867 12.381 4.038 1.00 1.88 H new ATOM 0 HA2 GLY B 54 -13.176 13.764 4.547 1.00 1.86 H new ATOM 0 HA3 GLY B 54 -12.547 12.617 5.714 1.00 1.86 H new ATOM 2502 N SER B 55 -11.299 11.105 3.939 1.00 1.52 N ATOM 2503 CA SER B 55 -10.418 10.472 2.979 1.00 1.67 C ATOM 2504 C SER B 55 -11.228 9.999 1.762 1.00 1.69 C ATOM 2505 O SER B 55 -10.683 9.826 0.669 1.00 1.97 O ATOM 2506 CB SER B 55 -9.582 9.402 3.683 1.00 1.97 C ATOM 2507 OG SER B 55 -8.399 10.000 4.164 1.00 1.90 O ATOM 0 H SER B 55 -11.448 10.567 4.793 1.00 1.52 H new ATOM 0 HA SER B 55 -9.692 11.175 2.571 1.00 1.67 H new ATOM 0 HB2 SER B 55 -10.145 8.962 4.506 1.00 1.97 H new ATOM 0 HB3 SER B 55 -9.343 8.593 2.992 1.00 1.97 H new ATOM 0 HG SER B 55 -7.695 9.925 3.486 1.00 1.90 H new ATOM 2513 N LEU B 56 -12.553 9.866 1.919 1.00 1.46 N ATOM 2514 CA LEU B 56 -13.449 9.860 0.774 1.00 1.34 C ATOM 2515 C LEU B 56 -13.235 11.154 0.000 1.00 1.14 C ATOM 2516 O LEU B 56 -12.760 11.114 -1.125 1.00 1.05 O ATOM 2517 CB LEU B 56 -14.908 9.762 1.244 1.00 1.43 C ATOM 2518 CG LEU B 56 -15.943 10.117 0.157 1.00 1.85 C ATOM 2519 CD1 LEU B 56 -15.732 9.289 -1.111 1.00 3.19 C ATOM 2520 CD2 LEU B 56 -17.367 9.898 0.670 1.00 3.03 C ATOM 0 H LEU B 56 -13.016 9.763 2.822 1.00 1.46 H new ATOM 0 HA LEU B 56 -13.239 9.001 0.137 1.00 1.34 H new ATOM 0 HB2 LEU B 56 -15.098 8.748 1.595 1.00 1.43 H new ATOM 0 HB3 LEU B 56 -15.050 10.426 2.097 1.00 1.43 H new ATOM 0 HG LEU B 56 -15.802 11.170 -0.086 1.00 1.85 H new ATOM 0 HD11 LEU B 56 -16.479 9.566 -1.855 1.00 3.19 H new ATOM 0 HD12 LEU B 56 -14.735 9.480 -1.509 1.00 3.19 H new ATOM 0 HD13 LEU B 56 -15.831 8.230 -0.874 1.00 3.19 H new ATOM 0 HD21 LEU B 56 -18.080 10.155 -0.114 1.00 3.03 H new ATOM 0 HD22 LEU B 56 -17.496 8.852 0.949 1.00 3.03 H new ATOM 0 HD23 LEU B 56 -17.541 10.530 1.540 1.00 3.03 H new ATOM 2532 N ASP B 57 -13.541 12.289 0.625 1.00 1.28 N ATOM 2533 CA ASP B 57 -13.565 13.615 0.032 1.00 1.26 C ATOM 2534 C ASP B 57 -12.266 13.914 -0.718 1.00 1.10 C ATOM 2535 O ASP B 57 -12.308 14.249 -1.904 1.00 1.08 O ATOM 2536 CB ASP B 57 -13.875 14.661 1.117 1.00 1.56 C ATOM 2537 CG ASP B 57 -15.129 14.330 1.927 1.00 3.31 C ATOM 2538 OD1 ASP B 57 -15.170 13.211 2.496 1.00 4.76 O ATOM 2539 OD2 ASP B 57 -16.022 15.200 1.968 1.00 3.99 O ATOM 0 H ASP B 57 -13.792 12.304 1.614 1.00 1.28 H new ATOM 0 HA ASP B 57 -14.359 13.660 -0.713 1.00 1.26 H new ATOM 0 HB2 ASP B 57 -13.023 14.739 1.793 1.00 1.56 H new ATOM 0 HB3 ASP B 57 -14.000 15.637 0.648 1.00 1.56 H new ATOM 2544 N GLU B 58 -11.116 13.755 -0.047 1.00 1.15 N ATOM 2545 CA GLU B 58 -9.783 13.802 -0.657 1.00 1.19 C ATOM 2546 C GLU B 58 -9.776 13.092 -2.015 1.00 0.90 C ATOM 2547 O GLU B 58 -9.355 13.649 -3.027 1.00 0.99 O ATOM 2548 CB GLU B 58 -8.741 13.165 0.278 1.00 1.46 C ATOM 2549 CG GLU B 58 -8.038 14.177 1.197 1.00 1.82 C ATOM 2550 CD GLU B 58 -8.977 14.962 2.101 1.00 3.22 C ATOM 2551 OE1 GLU B 58 -9.666 15.852 1.549 1.00 4.11 O ATOM 2552 OE2 GLU B 58 -8.951 14.704 3.321 1.00 4.30 O ATOM 0 H GLU B 58 -11.088 13.586 0.959 1.00 1.15 H new ATOM 0 HA GLU B 58 -9.522 14.848 -0.815 1.00 1.19 H new ATOM 0 HB2 GLU B 58 -9.230 12.409 0.892 1.00 1.46 H new ATOM 0 HB3 GLU B 58 -7.991 12.651 -0.324 1.00 1.46 H new ATOM 0 HG2 GLU B 58 -7.316 13.646 1.817 1.00 1.82 H new ATOM 0 HG3 GLU B 58 -7.475 14.878 0.581 1.00 1.82 H new ATOM 2559 N LYS B 59 -10.252 11.852 -2.017 1.00 0.77 N ATOM 2560 CA LYS B 59 -10.220 10.963 -3.161 1.00 0.69 C ATOM 2561 C LYS B 59 -11.311 11.322 -4.177 1.00 0.70 C ATOM 2562 O LYS B 59 -11.130 11.161 -5.383 1.00 0.81 O ATOM 2563 CB LYS B 59 -10.365 9.544 -2.603 1.00 0.76 C ATOM 2564 CG LYS B 59 -9.724 8.477 -3.480 1.00 1.12 C ATOM 2565 CD LYS B 59 -9.264 7.280 -2.634 1.00 1.11 C ATOM 2566 CE LYS B 59 -10.352 6.495 -1.899 1.00 1.14 C ATOM 2567 NZ LYS B 59 -10.878 7.185 -0.696 1.00 1.34 N ATOM 0 H LYS B 59 -10.683 11.429 -1.195 1.00 0.77 H new ATOM 0 HA LYS B 59 -9.286 11.052 -3.715 1.00 0.69 H new ATOM 0 HB2 LYS B 59 -9.916 9.505 -1.611 1.00 0.76 H new ATOM 0 HB3 LYS B 59 -11.424 9.316 -2.483 1.00 0.76 H new ATOM 0 HG2 LYS B 59 -10.437 8.143 -4.234 1.00 1.12 H new ATOM 0 HG3 LYS B 59 -8.872 8.901 -4.012 1.00 1.12 H new ATOM 0 HD2 LYS B 59 -8.729 6.589 -3.286 1.00 1.11 H new ATOM 0 HD3 LYS B 59 -8.548 7.641 -1.895 1.00 1.11 H new ATOM 0 HE2 LYS B 59 -11.176 6.304 -2.586 1.00 1.14 H new ATOM 0 HE3 LYS B 59 -9.951 5.525 -1.604 1.00 1.14 H new ATOM 0 HZ1 LYS B 59 -11.748 6.713 -0.378 1.00 1.34 H new ATOM 0 HZ2 LYS B 59 -10.168 7.150 0.063 1.00 1.34 H new ATOM 0 HZ3 LYS B 59 -11.087 8.177 -0.928 1.00 1.34 H new ATOM 2581 N MET B 60 -12.452 11.816 -3.696 1.00 0.71 N ATOM 2582 CA MET B 60 -13.558 12.250 -4.524 1.00 0.78 C ATOM 2583 C MET B 60 -13.065 13.341 -5.465 1.00 0.81 C ATOM 2584 O MET B 60 -13.352 13.282 -6.655 1.00 0.89 O ATOM 2585 CB MET B 60 -14.717 12.743 -3.651 1.00 0.90 C ATOM 2586 CG MET B 60 -15.994 12.922 -4.484 1.00 1.03 C ATOM 2587 SD MET B 60 -17.355 13.787 -3.658 1.00 1.98 S ATOM 2588 CE MET B 60 -16.684 15.464 -3.581 1.00 3.30 C ATOM 0 H MET B 60 -12.629 11.925 -2.697 1.00 0.71 H new ATOM 0 HA MET B 60 -13.933 11.415 -5.116 1.00 0.78 H new ATOM 0 HB2 MET B 60 -14.900 12.031 -2.847 1.00 0.90 H new ATOM 0 HB3 MET B 60 -14.448 13.690 -3.183 1.00 0.90 H new ATOM 0 HG2 MET B 60 -15.740 13.467 -5.393 1.00 1.03 H new ATOM 0 HG3 MET B 60 -16.347 11.937 -4.791 1.00 1.03 H new ATOM 0 HE1 MET B 60 -17.470 16.157 -3.280 1.00 3.30 H new ATOM 0 HE2 MET B 60 -15.872 15.498 -2.854 1.00 3.30 H new ATOM 0 HE3 MET B 60 -16.305 15.750 -4.562 1.00 3.30 H new ATOM 2598 N LYS B 61 -12.302 14.311 -4.948 1.00 0.86 N ATOM 2599 CA LYS B 61 -11.700 15.349 -5.782 1.00 1.03 C ATOM 2600 C LYS B 61 -10.891 14.711 -6.914 1.00 0.93 C ATOM 2601 O LYS B 61 -11.050 15.062 -8.080 1.00 1.00 O ATOM 2602 CB LYS B 61 -10.789 16.249 -4.948 1.00 1.41 C ATOM 2603 CG LYS B 61 -11.530 16.962 -3.809 1.00 1.47 C ATOM 2604 CD LYS B 61 -10.641 16.891 -2.568 1.00 1.57 C ATOM 2605 CE LYS B 61 -11.267 17.629 -1.375 1.00 2.18 C ATOM 2606 NZ LYS B 61 -10.442 17.549 -0.149 1.00 2.86 N ATOM 0 H LYS B 61 -12.089 14.396 -3.954 1.00 0.86 H new ATOM 0 HA LYS B 61 -12.501 15.954 -6.206 1.00 1.03 H new ATOM 0 HB2 LYS B 61 -9.981 15.650 -4.529 1.00 1.41 H new ATOM 0 HB3 LYS B 61 -10.330 16.994 -5.598 1.00 1.41 H new ATOM 0 HG2 LYS B 61 -11.735 17.999 -4.075 1.00 1.47 H new ATOM 0 HG3 LYS B 61 -12.492 16.485 -3.620 1.00 1.47 H new ATOM 0 HD2 LYS B 61 -10.471 15.848 -2.302 1.00 1.57 H new ATOM 0 HD3 LYS B 61 -9.667 17.325 -2.793 1.00 1.57 H new ATOM 0 HE2 LYS B 61 -11.415 18.676 -1.639 1.00 2.18 H new ATOM 0 HE3 LYS B 61 -12.252 17.210 -1.172 1.00 2.18 H new ATOM 0 HZ1 LYS B 61 -10.871 18.134 0.597 1.00 2.86 H new ATOM 0 HZ2 LYS B 61 -10.392 16.561 0.172 1.00 2.86 H new ATOM 0 HZ3 LYS B 61 -9.483 17.896 -0.353 1.00 2.86 H new ATOM 2620 N SER B 62 -10.025 13.754 -6.572 1.00 0.93 N ATOM 2621 CA SER B 62 -9.285 12.987 -7.570 1.00 1.08 C ATOM 2622 C SER B 62 -10.199 12.456 -8.686 1.00 1.07 C ATOM 2623 O SER B 62 -9.842 12.546 -9.861 1.00 1.24 O ATOM 2624 CB SER B 62 -8.495 11.855 -6.904 1.00 1.39 C ATOM 2625 OG SER B 62 -7.982 12.285 -5.658 1.00 1.86 O ATOM 0 H SER B 62 -9.820 13.493 -5.607 1.00 0.93 H new ATOM 0 HA SER B 62 -8.575 13.664 -8.045 1.00 1.08 H new ATOM 0 HB2 SER B 62 -9.139 10.988 -6.760 1.00 1.39 H new ATOM 0 HB3 SER B 62 -7.678 11.541 -7.553 1.00 1.39 H new ATOM 0 HG SER B 62 -7.481 11.554 -5.241 1.00 1.86 H new ATOM 2631 N LEU B 63 -11.377 11.920 -8.337 1.00 1.09 N ATOM 2632 CA LEU B 63 -12.358 11.539 -9.351 1.00 1.39 C ATOM 2633 C LEU B 63 -12.852 12.793 -10.094 1.00 1.39 C ATOM 2634 O LEU B 63 -12.814 12.839 -11.321 1.00 1.55 O ATOM 2635 CB LEU B 63 -13.530 10.687 -8.800 1.00 1.72 C ATOM 2636 CG LEU B 63 -13.261 9.199 -8.549 1.00 2.09 C ATOM 2637 CD1 LEU B 63 -12.325 9.025 -7.343 1.00 2.32 C ATOM 2638 CD2 LEU B 63 -14.627 8.545 -8.302 1.00 3.07 C ATOM 0 H LEU B 63 -11.667 11.744 -7.375 1.00 1.09 H new ATOM 0 HA LEU B 63 -11.851 10.882 -10.058 1.00 1.39 H new ATOM 0 HB2 LEU B 63 -13.859 11.133 -7.861 1.00 1.72 H new ATOM 0 HB3 LEU B 63 -14.362 10.766 -9.500 1.00 1.72 H new ATOM 0 HG LEU B 63 -12.765 8.730 -9.399 1.00 2.09 H new ATOM 0 HD11 LEU B 63 -12.142 7.964 -7.175 1.00 2.32 H new ATOM 0 HD12 LEU B 63 -11.379 9.530 -7.541 1.00 2.32 H new ATOM 0 HD13 LEU B 63 -12.789 9.458 -6.457 1.00 2.32 H new ATOM 0 HD21 LEU B 63 -14.492 7.479 -8.117 1.00 3.07 H new ATOM 0 HD22 LEU B 63 -15.100 9.007 -7.435 1.00 3.07 H new ATOM 0 HD23 LEU B 63 -15.261 8.684 -9.178 1.00 3.07 H new ATOM 2650 N ASP B 64 -13.327 13.815 -9.382 1.00 1.37 N ATOM 2651 CA ASP B 64 -13.874 15.035 -9.972 1.00 1.64 C ATOM 2652 C ASP B 64 -12.986 15.567 -11.108 1.00 1.50 C ATOM 2653 O ASP B 64 -13.474 15.818 -12.208 1.00 1.72 O ATOM 2654 CB ASP B 64 -14.079 16.087 -8.878 1.00 1.80 C ATOM 2655 CG ASP B 64 -14.705 17.350 -9.445 1.00 2.27 C ATOM 2656 OD1 ASP B 64 -15.946 17.350 -9.584 1.00 1.76 O ATOM 2657 OD2 ASP B 64 -13.928 18.292 -9.710 1.00 4.08 O ATOM 0 H ASP B 64 -13.342 13.818 -8.362 1.00 1.37 H new ATOM 0 HA ASP B 64 -14.840 14.801 -10.419 1.00 1.64 H new ATOM 0 HB2 ASP B 64 -14.718 15.681 -8.094 1.00 1.80 H new ATOM 0 HB3 ASP B 64 -13.121 16.328 -8.416 1.00 1.80 H new ATOM 2662 N VAL B 65 -11.676 15.655 -10.851 1.00 1.20 N ATOM 2663 CA VAL B 65 -10.677 16.119 -11.811 1.00 1.18 C ATOM 2664 C VAL B 65 -10.767 15.370 -13.147 1.00 1.09 C ATOM 2665 O VAL B 65 -11.121 15.959 -14.165 1.00 1.22 O ATOM 2666 CB VAL B 65 -9.271 16.003 -11.192 1.00 1.17 C ATOM 2667 CG1 VAL B 65 -8.151 16.311 -12.195 1.00 1.71 C ATOM 2668 CG2 VAL B 65 -9.128 16.979 -10.028 1.00 1.60 C ATOM 0 H VAL B 65 -11.275 15.399 -9.949 1.00 1.20 H new ATOM 0 HA VAL B 65 -10.879 17.166 -12.035 1.00 1.18 H new ATOM 0 HB VAL B 65 -9.170 14.969 -10.862 1.00 1.17 H new ATOM 0 HG11 VAL B 65 -7.184 16.213 -11.702 1.00 1.71 H new ATOM 0 HG12 VAL B 65 -8.206 15.610 -13.028 1.00 1.71 H new ATOM 0 HG13 VAL B 65 -8.267 17.329 -12.568 1.00 1.71 H new ATOM 0 HG21 VAL B 65 -8.131 16.889 -9.598 1.00 1.60 H new ATOM 0 HG22 VAL B 65 -9.278 17.997 -10.387 1.00 1.60 H new ATOM 0 HG23 VAL B 65 -9.874 16.749 -9.267 1.00 1.60 H new ATOM 2678 N ASN B 66 -10.376 14.092 -13.158 1.00 0.95 N ATOM 2679 CA ASN B 66 -10.346 13.276 -14.382 1.00 0.94 C ATOM 2680 C ASN B 66 -10.649 11.815 -14.070 1.00 0.96 C ATOM 2681 O ASN B 66 -9.844 10.923 -14.338 1.00 1.07 O ATOM 2682 CB ASN B 66 -9.011 13.409 -15.142 1.00 1.05 C ATOM 2683 CG ASN B 66 -8.927 14.690 -15.967 1.00 1.31 C ATOM 2684 OD1 ASN B 66 -9.684 14.879 -16.913 1.00 2.05 O ATOM 2685 ND2 ASN B 66 -7.988 15.578 -15.648 1.00 2.37 N ATOM 0 H ASN B 66 -10.072 13.592 -12.322 1.00 0.95 H new ATOM 0 HA ASN B 66 -11.127 13.660 -15.039 1.00 0.94 H new ATOM 0 HB2 ASN B 66 -8.188 13.387 -14.428 1.00 1.05 H new ATOM 0 HB3 ASN B 66 -8.885 12.549 -15.800 1.00 1.05 H new ATOM 0 HD21 ASN B 66 -7.889 16.434 -16.194 1.00 2.37 H new ATOM 0 HD22 ASN B 66 -7.368 15.403 -14.857 1.00 2.37 H new ATOM 2692 N GLN B 67 -11.832 11.559 -13.514 1.00 1.03 N ATOM 2693 CA GLN B 67 -12.251 10.237 -13.106 1.00 1.21 C ATOM 2694 C GLN B 67 -12.129 9.159 -14.175 1.00 1.33 C ATOM 2695 O GLN B 67 -11.951 7.983 -13.858 1.00 1.60 O ATOM 2696 CB GLN B 67 -13.674 10.212 -12.556 1.00 1.40 C ATOM 2697 CG GLN B 67 -14.771 10.652 -13.550 1.00 1.38 C ATOM 2698 CD GLN B 67 -14.529 11.977 -14.274 1.00 2.38 C ATOM 2699 OE1 GLN B 67 -14.395 13.080 -13.541 1.00 3.75 O flip ATOM 2700 NE2 GLN B 67 -14.429 11.999 -15.495 1.00 3.38 N flip ATOM 0 H GLN B 67 -12.530 12.281 -13.336 1.00 1.03 H new ATOM 0 HA GLN B 67 -11.539 9.996 -12.317 1.00 1.21 H new ATOM 0 HB2 GLN B 67 -13.898 9.200 -12.217 1.00 1.40 H new ATOM 0 HB3 GLN B 67 -13.719 10.859 -11.680 1.00 1.40 H new ATOM 0 HG2 GLN B 67 -14.890 9.869 -14.298 1.00 1.38 H new ATOM 0 HG3 GLN B 67 -15.715 10.723 -13.010 1.00 1.38 H new ATOM 0 HE21 GLN B 67 -14.536 11.138 -16.031 1.00 3.38 H new ATOM 0 HE22 GLN B 67 -14.238 12.878 -15.975 1.00 3.38 H new ATOM 2709 N ASP B 68 -12.307 9.557 -15.430 1.00 1.24 N ATOM 2710 CA ASP B 68 -12.050 8.706 -16.577 1.00 1.27 C ATOM 2711 C ASP B 68 -10.740 7.926 -16.424 1.00 1.62 C ATOM 2712 O ASP B 68 -10.686 6.717 -16.660 1.00 2.15 O ATOM 2713 CB ASP B 68 -12.027 9.595 -17.838 1.00 1.17 C ATOM 2714 CG ASP B 68 -11.006 9.140 -18.878 1.00 2.37 C ATOM 2715 OD1 ASP B 68 -11.385 8.302 -19.721 1.00 3.30 O ATOM 2716 OD2 ASP B 68 -9.858 9.632 -18.792 1.00 3.60 O ATOM 0 H ASP B 68 -12.637 10.490 -15.678 1.00 1.24 H new ATOM 0 HA ASP B 68 -12.841 7.960 -16.660 1.00 1.27 H new ATOM 0 HB2 ASP B 68 -13.019 9.599 -18.290 1.00 1.17 H new ATOM 0 HB3 ASP B 68 -11.806 10.622 -17.546 1.00 1.17 H new ATOM 2721 N SER B 69 -9.674 8.638 -16.074 1.00 1.43 N ATOM 2722 CA SER B 69 -8.350 8.212 -16.461 1.00 1.49 C ATOM 2723 C SER B 69 -7.877 6.993 -15.672 1.00 1.65 C ATOM 2724 O SER B 69 -8.208 6.812 -14.500 1.00 2.89 O ATOM 2725 CB SER B 69 -7.411 9.411 -16.356 1.00 1.26 C ATOM 2726 OG SER B 69 -7.958 10.484 -17.103 1.00 2.48 O ATOM 0 H SER B 69 -9.707 9.500 -15.530 1.00 1.43 H new ATOM 0 HA SER B 69 -8.359 7.870 -17.496 1.00 1.49 H new ATOM 0 HB2 SER B 69 -7.285 9.702 -15.313 1.00 1.26 H new ATOM 0 HB3 SER B 69 -6.423 9.151 -16.736 1.00 1.26 H new ATOM 0 HG SER B 69 -8.501 10.128 -17.837 1.00 2.48 H new ATOM 2732 N GLU B 70 -7.090 6.150 -16.342 1.00 0.99 N ATOM 2733 CA GLU B 70 -6.517 4.962 -15.731 1.00 0.95 C ATOM 2734 C GLU B 70 -5.493 5.388 -14.679 1.00 0.86 C ATOM 2735 O GLU B 70 -4.626 6.221 -14.959 1.00 1.30 O ATOM 2736 CB GLU B 70 -5.894 4.025 -16.781 1.00 1.13 C ATOM 2737 CG GLU B 70 -6.583 2.650 -16.790 1.00 2.31 C ATOM 2738 CD GLU B 70 -5.884 1.663 -17.717 1.00 2.94 C ATOM 2739 OE1 GLU B 70 -5.007 2.127 -18.478 1.00 2.53 O ATOM 2740 OE2 GLU B 70 -6.221 0.456 -17.650 1.00 4.36 O ATOM 0 H GLU B 70 -6.835 6.276 -17.322 1.00 0.99 H new ATOM 0 HA GLU B 70 -7.311 4.393 -15.247 1.00 0.95 H new ATOM 0 HB2 GLU B 70 -5.974 4.479 -17.769 1.00 1.13 H new ATOM 0 HB3 GLU B 70 -4.831 3.899 -16.573 1.00 1.13 H new ATOM 0 HG2 GLU B 70 -6.599 2.247 -15.778 1.00 2.31 H new ATOM 0 HG3 GLU B 70 -7.621 2.767 -17.103 1.00 2.31 H new ATOM 2747 N LEU B 71 -5.566 4.794 -13.491 1.00 0.89 N ATOM 2748 CA LEU B 71 -4.681 5.089 -12.381 1.00 0.99 C ATOM 2749 C LEU B 71 -3.379 4.310 -12.552 1.00 1.01 C ATOM 2750 O LEU B 71 -3.299 3.350 -13.325 1.00 1.08 O ATOM 2751 CB LEU B 71 -5.367 4.702 -11.063 1.00 1.29 C ATOM 2752 CG LEU B 71 -6.523 5.626 -10.668 1.00 1.96 C ATOM 2753 CD1 LEU B 71 -7.307 4.932 -9.549 1.00 2.15 C ATOM 2754 CD2 LEU B 71 -6.003 6.985 -10.181 1.00 3.47 C ATOM 0 H LEU B 71 -6.260 4.079 -13.274 1.00 0.89 H new ATOM 0 HA LEU B 71 -4.455 6.155 -12.360 1.00 0.99 H new ATOM 0 HB2 LEU B 71 -5.743 3.682 -11.147 1.00 1.29 H new ATOM 0 HB3 LEU B 71 -4.625 4.704 -10.265 1.00 1.29 H new ATOM 0 HG LEU B 71 -7.160 5.813 -11.532 1.00 1.96 H new ATOM 0 HD11 LEU B 71 -8.140 5.564 -9.242 1.00 2.15 H new ATOM 0 HD12 LEU B 71 -7.690 3.978 -9.911 1.00 2.15 H new ATOM 0 HD13 LEU B 71 -6.650 4.760 -8.697 1.00 2.15 H new ATOM 0 HD21 LEU B 71 -6.846 7.620 -9.907 1.00 3.47 H new ATOM 0 HD22 LEU B 71 -5.362 6.839 -9.312 1.00 3.47 H new ATOM 0 HD23 LEU B 71 -5.432 7.463 -10.977 1.00 3.47 H new ATOM 2766 N LYS B 72 -2.347 4.759 -11.836 1.00 1.07 N ATOM 2767 CA LYS B 72 -1.010 4.197 -11.871 1.00 1.22 C ATOM 2768 C LYS B 72 -0.653 3.679 -10.478 1.00 1.07 C ATOM 2769 O LYS B 72 -1.272 4.116 -9.509 1.00 0.93 O ATOM 2770 CB LYS B 72 -0.003 5.223 -12.420 1.00 1.47 C ATOM 2771 CG LYS B 72 -0.053 5.334 -13.956 1.00 1.51 C ATOM 2772 CD LYS B 72 -1.139 6.288 -14.482 1.00 1.94 C ATOM 2773 CE LYS B 72 -1.407 6.031 -15.973 1.00 2.34 C ATOM 2774 NZ LYS B 72 -2.513 6.863 -16.489 1.00 3.49 N ATOM 0 H LYS B 72 -2.429 5.550 -11.197 1.00 1.07 H new ATOM 0 HA LYS B 72 -0.970 3.350 -12.556 1.00 1.22 H new ATOM 0 HB2 LYS B 72 -0.208 6.200 -11.981 1.00 1.47 H new ATOM 0 HB3 LYS B 72 1.004 4.940 -12.112 1.00 1.47 H new ATOM 0 HG2 LYS B 72 0.918 5.672 -14.317 1.00 1.51 H new ATOM 0 HG3 LYS B 72 -0.221 4.342 -14.376 1.00 1.51 H new ATOM 0 HD2 LYS B 72 -2.058 6.151 -13.913 1.00 1.94 H new ATOM 0 HD3 LYS B 72 -0.825 7.321 -14.336 1.00 1.94 H new ATOM 0 HE2 LYS B 72 -0.502 6.237 -16.544 1.00 2.34 H new ATOM 0 HE3 LYS B 72 -1.646 4.978 -16.122 1.00 2.34 H new ATOM 0 HZ1 LYS B 72 -2.886 6.441 -17.363 1.00 3.49 H new ATOM 0 HZ2 LYS B 72 -3.271 6.913 -15.778 1.00 3.49 H new ATOM 0 HZ3 LYS B 72 -2.162 7.821 -16.689 1.00 3.49 H new ATOM 2788 N PHE B 73 0.306 2.746 -10.371 1.00 1.15 N ATOM 2789 CA PHE B 73 0.582 2.019 -9.126 1.00 1.03 C ATOM 2790 C PHE B 73 0.658 2.959 -7.917 1.00 0.86 C ATOM 2791 O PHE B 73 -0.061 2.771 -6.942 1.00 0.65 O ATOM 2792 CB PHE B 73 1.858 1.162 -9.232 1.00 1.35 C ATOM 2793 CG PHE B 73 1.821 0.066 -10.281 1.00 0.85 C ATOM 2794 CD1 PHE B 73 0.925 -1.003 -10.133 1.00 2.59 C ATOM 2795 CD2 PHE B 73 2.698 0.079 -11.380 1.00 1.78 C ATOM 2796 CE1 PHE B 73 0.857 -2.017 -11.103 1.00 3.85 C ATOM 2797 CE2 PHE B 73 2.600 -0.906 -12.378 1.00 2.64 C ATOM 2798 CZ PHE B 73 1.682 -1.959 -12.238 1.00 3.56 C ATOM 0 H PHE B 73 0.911 2.476 -11.146 1.00 1.15 H new ATOM 0 HA PHE B 73 -0.260 1.345 -8.969 1.00 1.03 H new ATOM 0 HB2 PHE B 73 2.700 1.820 -9.448 1.00 1.35 H new ATOM 0 HB3 PHE B 73 2.051 0.706 -8.261 1.00 1.35 H new ATOM 0 HD1 PHE B 73 0.282 -1.047 -9.266 1.00 2.59 H new ATOM 0 HD2 PHE B 73 3.451 0.850 -11.458 1.00 1.78 H new ATOM 0 HE1 PHE B 73 0.170 -2.841 -10.976 1.00 3.85 H new ATOM 0 HE2 PHE B 73 3.231 -0.853 -13.253 1.00 2.64 H new ATOM 0 HZ PHE B 73 1.611 -2.721 -13.000 1.00 3.56 H new ATOM 2808 N ASN B 74 1.502 3.990 -8.005 1.00 1.05 N ATOM 2809 CA ASN B 74 1.656 5.045 -7.002 1.00 1.08 C ATOM 2810 C ASN B 74 0.311 5.629 -6.564 1.00 0.89 C ATOM 2811 O ASN B 74 0.066 5.867 -5.380 1.00 0.92 O ATOM 2812 CB ASN B 74 2.496 6.170 -7.619 1.00 1.36 C ATOM 2813 CG ASN B 74 2.574 7.385 -6.701 1.00 2.22 C ATOM 2814 OD1 ASN B 74 3.366 7.400 -5.766 1.00 3.30 O ATOM 2815 ND2 ASN B 74 1.780 8.426 -6.942 1.00 2.82 N ATOM 0 H ASN B 74 2.120 4.117 -8.807 1.00 1.05 H new ATOM 0 HA ASN B 74 2.134 4.612 -6.123 1.00 1.08 H new ATOM 0 HB2 ASN B 74 3.502 5.803 -7.823 1.00 1.36 H new ATOM 0 HB3 ASN B 74 2.064 6.464 -8.576 1.00 1.36 H new ATOM 0 HD21 ASN B 74 1.826 9.251 -6.344 1.00 2.82 H new ATOM 0 HD22 ASN B 74 1.126 8.398 -7.724 1.00 2.82 H new ATOM 2822 N GLU B 75 -0.526 5.896 -7.564 1.00 0.77 N ATOM 2823 CA GLU B 75 -1.772 6.619 -7.441 1.00 0.62 C ATOM 2824 C GLU B 75 -2.781 5.731 -6.729 1.00 0.55 C ATOM 2825 O GLU B 75 -3.305 6.103 -5.680 1.00 0.63 O ATOM 2826 CB GLU B 75 -2.223 7.055 -8.850 1.00 0.66 C ATOM 2827 CG GLU B 75 -2.617 8.532 -8.889 1.00 1.75 C ATOM 2828 CD GLU B 75 -1.504 9.430 -8.370 1.00 2.87 C ATOM 2829 OE1 GLU B 75 -0.313 9.078 -8.527 1.00 3.16 O ATOM 2830 OE2 GLU B 75 -1.850 10.440 -7.720 1.00 4.42 O ATOM 0 H GLU B 75 -0.338 5.597 -8.521 1.00 0.77 H new ATOM 0 HA GLU B 75 -1.666 7.523 -6.842 1.00 0.62 H new ATOM 0 HB2 GLU B 75 -1.417 6.875 -9.561 1.00 0.66 H new ATOM 0 HB3 GLU B 75 -3.069 6.445 -9.166 1.00 0.66 H new ATOM 0 HG2 GLU B 75 -2.864 8.815 -9.912 1.00 1.75 H new ATOM 0 HG3 GLU B 75 -3.515 8.684 -8.290 1.00 1.75 H new ATOM 2837 N TYR B 76 -2.988 4.529 -7.278 1.00 0.49 N ATOM 2838 CA TYR B 76 -3.695 3.454 -6.601 1.00 0.52 C ATOM 2839 C TYR B 76 -3.249 3.410 -5.139 1.00 0.48 C ATOM 2840 O TYR B 76 -4.081 3.443 -4.237 1.00 0.50 O ATOM 2841 CB TYR B 76 -3.425 2.123 -7.323 1.00 0.65 C ATOM 2842 CG TYR B 76 -3.727 0.895 -6.487 1.00 1.01 C ATOM 2843 CD1 TYR B 76 -2.759 0.401 -5.592 1.00 2.66 C ATOM 2844 CD2 TYR B 76 -4.979 0.264 -6.574 1.00 2.08 C ATOM 2845 CE1 TYR B 76 -3.070 -0.666 -4.740 1.00 2.97 C ATOM 2846 CE2 TYR B 76 -5.290 -0.809 -5.719 1.00 2.24 C ATOM 2847 CZ TYR B 76 -4.335 -1.266 -4.792 1.00 1.87 C ATOM 2848 OH TYR B 76 -4.637 -2.247 -3.896 1.00 2.34 O ATOM 0 H TYR B 76 -2.664 4.280 -8.213 1.00 0.49 H new ATOM 0 HA TYR B 76 -4.771 3.629 -6.625 1.00 0.52 H new ATOM 0 HB2 TYR B 76 -4.025 2.087 -8.233 1.00 0.65 H new ATOM 0 HB3 TYR B 76 -2.379 2.093 -7.629 1.00 0.65 H new ATOM 0 HD1 TYR B 76 -1.775 0.846 -5.562 1.00 2.66 H new ATOM 0 HD2 TYR B 76 -5.704 0.603 -7.299 1.00 2.08 H new ATOM 0 HE1 TYR B 76 -2.332 -1.028 -4.040 1.00 2.97 H new ATOM 0 HE2 TYR B 76 -6.260 -1.281 -5.774 1.00 2.24 H new ATOM 0 HH TYR B 76 -5.600 -2.237 -3.712 1.00 2.34 H new ATOM 2858 N TRP B 77 -1.932 3.360 -4.915 1.00 0.46 N ATOM 2859 CA TRP B 77 -1.370 3.308 -3.582 1.00 0.47 C ATOM 2860 C TRP B 77 -1.918 4.409 -2.688 1.00 0.47 C ATOM 2861 O TRP B 77 -2.715 4.118 -1.799 1.00 0.50 O ATOM 2862 CB TRP B 77 0.159 3.323 -3.611 1.00 0.55 C ATOM 2863 CG TRP B 77 0.717 2.158 -2.894 1.00 0.46 C ATOM 2864 CD1 TRP B 77 1.049 2.130 -1.593 1.00 0.48 C ATOM 2865 CD2 TRP B 77 1.086 0.868 -3.435 1.00 0.43 C ATOM 2866 NE1 TRP B 77 1.511 0.885 -1.266 1.00 0.47 N ATOM 2867 CE2 TRP B 77 1.614 0.078 -2.377 1.00 0.45 C ATOM 2868 CE3 TRP B 77 1.120 0.321 -4.728 1.00 0.53 C ATOM 2869 CZ2 TRP B 77 2.132 -1.202 -2.594 1.00 0.57 C ATOM 2870 CZ3 TRP B 77 1.723 -0.919 -4.951 1.00 0.61 C ATOM 2871 CH2 TRP B 77 2.187 -1.697 -3.900 1.00 0.63 C ATOM 0 H TRP B 77 -1.235 3.355 -5.659 1.00 0.46 H new ATOM 0 HA TRP B 77 -1.680 2.358 -3.148 1.00 0.47 H new ATOM 0 HB2 TRP B 77 0.506 3.318 -4.644 1.00 0.55 H new ATOM 0 HB3 TRP B 77 0.525 4.243 -3.156 1.00 0.55 H new ATOM 0 HD1 TRP B 77 0.964 2.962 -0.910 1.00 0.48 H new ATOM 0 HE1 TRP B 77 1.749 0.591 -0.319 1.00 0.47 H new ATOM 0 HE3 TRP B 77 0.678 0.861 -5.553 1.00 0.53 H new ATOM 0 HZ2 TRP B 77 2.484 -1.799 -1.766 1.00 0.57 H new ATOM 0 HZ3 TRP B 77 1.830 -1.280 -5.963 1.00 0.61 H new ATOM 0 HH2 TRP B 77 2.589 -2.681 -4.090 1.00 0.63 H new ATOM 2882 N ARG B 78 -1.482 5.657 -2.881 1.00 0.51 N ATOM 2883 CA ARG B 78 -1.954 6.747 -2.042 1.00 0.57 C ATOM 2884 C ARG B 78 -3.489 6.747 -1.902 1.00 0.55 C ATOM 2885 O ARG B 78 -3.985 6.933 -0.795 1.00 0.65 O ATOM 2886 CB ARG B 78 -1.324 8.080 -2.462 1.00 0.80 C ATOM 2887 CG ARG B 78 -1.550 8.620 -3.882 1.00 1.34 C ATOM 2888 CD ARG B 78 -0.403 9.615 -4.146 1.00 1.22 C ATOM 2889 NE ARG B 78 -0.503 10.343 -5.425 1.00 2.00 N ATOM 2890 CZ ARG B 78 0.434 11.188 -5.888 1.00 2.85 C ATOM 2891 NH1 ARG B 78 1.554 11.402 -5.185 1.00 3.35 N ATOM 2892 NH2 ARG B 78 0.260 11.797 -7.059 1.00 3.95 N ATOM 0 H ARG B 78 -0.813 5.929 -3.601 1.00 0.51 H new ATOM 0 HA ARG B 78 -1.605 6.586 -1.022 1.00 0.57 H new ATOM 0 HB2 ARG B 78 -1.678 8.840 -1.765 1.00 0.80 H new ATOM 0 HB3 ARG B 78 -0.248 7.991 -2.316 1.00 0.80 H new ATOM 0 HG2 ARG B 78 -1.541 7.811 -4.613 1.00 1.34 H new ATOM 0 HG3 ARG B 78 -2.519 9.112 -3.963 1.00 1.34 H new ATOM 0 HD2 ARG B 78 -0.374 10.339 -3.332 1.00 1.22 H new ATOM 0 HD3 ARG B 78 0.543 9.073 -4.125 1.00 1.22 H new ATOM 0 HE ARG B 78 -1.336 10.196 -5.994 1.00 2.00 H new ATOM 0 HH11 ARG B 78 1.697 10.923 -4.296 1.00 3.35 H new ATOM 0 HH12 ARG B 78 2.263 12.044 -5.539 1.00 3.35 H new ATOM 0 HH21 ARG B 78 -0.584 11.622 -7.604 1.00 3.95 H new ATOM 0 HH22 ARG B 78 0.971 12.438 -7.411 1.00 3.95 H new ATOM 2906 N LEU B 79 -4.244 6.441 -2.966 1.00 0.50 N ATOM 2907 CA LEU B 79 -5.695 6.270 -2.870 1.00 0.54 C ATOM 2908 C LEU B 79 -6.112 5.217 -1.825 1.00 0.50 C ATOM 2909 O LEU B 79 -6.932 5.526 -0.956 1.00 0.54 O ATOM 2910 CB LEU B 79 -6.305 5.950 -4.244 1.00 0.64 C ATOM 2911 CG LEU B 79 -6.603 7.158 -5.162 1.00 0.91 C ATOM 2912 CD1 LEU B 79 -5.680 8.375 -4.999 1.00 1.11 C ATOM 2913 CD2 LEU B 79 -6.587 6.716 -6.627 1.00 1.41 C ATOM 0 H LEU B 79 -3.869 6.307 -3.905 1.00 0.50 H new ATOM 0 HA LEU B 79 -6.093 7.224 -2.524 1.00 0.54 H new ATOM 0 HB2 LEU B 79 -5.626 5.279 -4.771 1.00 0.64 H new ATOM 0 HB3 LEU B 79 -7.235 5.403 -4.086 1.00 0.64 H new ATOM 0 HG LEU B 79 -7.589 7.499 -4.846 1.00 0.91 H new ATOM 0 HD11 LEU B 79 -5.985 9.158 -5.693 1.00 1.11 H new ATOM 0 HD12 LEU B 79 -5.748 8.749 -3.977 1.00 1.11 H new ATOM 0 HD13 LEU B 79 -4.651 8.083 -5.211 1.00 1.11 H new ATOM 0 HD21 LEU B 79 -6.798 7.572 -7.268 1.00 1.41 H new ATOM 0 HD22 LEU B 79 -5.606 6.311 -6.874 1.00 1.41 H new ATOM 0 HD23 LEU B 79 -7.346 5.950 -6.784 1.00 1.41 H new ATOM 2925 N ILE B 80 -5.611 3.974 -1.880 1.00 0.47 N ATOM 2926 CA ILE B 80 -5.984 3.007 -0.837 1.00 0.47 C ATOM 2927 C ILE B 80 -5.425 3.453 0.527 1.00 0.50 C ATOM 2928 O ILE B 80 -6.023 3.188 1.567 1.00 0.54 O ATOM 2929 CB ILE B 80 -5.691 1.528 -1.177 1.00 0.47 C ATOM 2930 CG1 ILE B 80 -4.270 1.139 -0.793 1.00 0.60 C ATOM 2931 CG2 ILE B 80 -5.971 1.183 -2.635 1.00 0.52 C ATOM 2932 CD1 ILE B 80 -3.853 -0.307 -1.070 1.00 0.44 C ATOM 0 H ILE B 80 -4.977 3.626 -2.599 1.00 0.47 H new ATOM 0 HA ILE B 80 -7.072 3.020 -0.778 1.00 0.47 H new ATOM 0 HB ILE B 80 -6.385 0.939 -0.577 1.00 0.47 H new ATOM 0 HG12 ILE B 80 -3.582 1.798 -1.322 1.00 0.60 H new ATOM 0 HG13 ILE B 80 -4.141 1.332 0.272 1.00 0.60 H new ATOM 0 HG21 ILE B 80 -5.746 0.131 -2.810 1.00 0.52 H new ATOM 0 HG22 ILE B 80 -7.021 1.371 -2.858 1.00 0.52 H new ATOM 0 HG23 ILE B 80 -5.347 1.800 -3.281 1.00 0.52 H new ATOM 0 HD11 ILE B 80 -2.821 -0.455 -0.752 1.00 0.44 H new ATOM 0 HD12 ILE B 80 -4.504 -0.985 -0.518 1.00 0.44 H new ATOM 0 HD13 ILE B 80 -3.937 -0.512 -2.137 1.00 0.44 H new ATOM 2944 N GLY B 81 -4.282 4.148 0.517 1.00 0.50 N ATOM 2945 CA GLY B 81 -3.709 4.815 1.677 1.00 0.54 C ATOM 2946 C GLY B 81 -4.753 5.693 2.362 1.00 0.56 C ATOM 2947 O GLY B 81 -4.960 5.592 3.571 1.00 0.60 O ATOM 0 H GLY B 81 -3.719 4.261 -0.326 1.00 0.50 H new ATOM 0 HA2 GLY B 81 -3.332 4.073 2.381 1.00 0.54 H new ATOM 0 HA3 GLY B 81 -2.859 5.424 1.370 1.00 0.54 H new ATOM 2951 N GLU B 82 -5.435 6.533 1.581 1.00 0.57 N ATOM 2952 CA GLU B 82 -6.570 7.300 2.062 1.00 0.63 C ATOM 2953 C GLU B 82 -7.665 6.355 2.581 1.00 0.60 C ATOM 2954 O GLU B 82 -8.152 6.523 3.697 1.00 0.66 O ATOM 2955 CB GLU B 82 -7.059 8.273 0.976 1.00 0.73 C ATOM 2956 CG GLU B 82 -6.009 9.333 0.601 1.00 0.81 C ATOM 2957 CD GLU B 82 -5.541 10.146 1.799 1.00 2.33 C ATOM 2958 OE1 GLU B 82 -6.418 10.551 2.594 1.00 3.72 O ATOM 2959 OE2 GLU B 82 -4.313 10.317 1.952 1.00 3.45 O ATOM 0 H GLU B 82 -5.211 6.696 0.599 1.00 0.57 H new ATOM 0 HA GLU B 82 -6.269 7.918 2.908 1.00 0.63 H new ATOM 0 HB2 GLU B 82 -7.330 7.707 0.085 1.00 0.73 H new ATOM 0 HB3 GLU B 82 -7.963 8.773 1.324 1.00 0.73 H new ATOM 0 HG2 GLU B 82 -5.151 8.842 0.143 1.00 0.81 H new ATOM 0 HG3 GLU B 82 -6.429 10.005 -0.147 1.00 0.81 H new ATOM 2966 N LEU B 83 -8.017 5.328 1.804 1.00 0.55 N ATOM 2967 CA LEU B 83 -9.032 4.347 2.174 1.00 0.60 C ATOM 2968 C LEU B 83 -8.803 3.747 3.572 1.00 0.69 C ATOM 2969 O LEU B 83 -9.754 3.600 4.345 1.00 0.88 O ATOM 2970 CB LEU B 83 -9.155 3.314 1.050 1.00 0.62 C ATOM 2971 CG LEU B 83 -10.593 2.869 0.775 1.00 1.14 C ATOM 2972 CD1 LEU B 83 -10.563 1.839 -0.351 1.00 2.10 C ATOM 2973 CD2 LEU B 83 -11.237 2.263 2.016 1.00 2.23 C ATOM 0 H LEU B 83 -7.598 5.155 0.890 1.00 0.55 H new ATOM 0 HA LEU B 83 -9.998 4.843 2.274 1.00 0.60 H new ATOM 0 HB2 LEU B 83 -8.733 3.733 0.136 1.00 0.62 H new ATOM 0 HB3 LEU B 83 -8.557 2.440 1.306 1.00 0.62 H new ATOM 0 HG LEU B 83 -11.189 3.736 0.490 1.00 1.14 H new ATOM 0 HD11 LEU B 83 -11.578 1.505 -0.566 1.00 2.10 H new ATOM 0 HD12 LEU B 83 -10.132 2.290 -1.245 1.00 2.10 H new ATOM 0 HD13 LEU B 83 -9.957 0.985 -0.047 1.00 2.10 H new ATOM 0 HD21 LEU B 83 -12.258 1.958 1.784 1.00 2.23 H new ATOM 0 HD22 LEU B 83 -10.663 1.394 2.336 1.00 2.23 H new ATOM 0 HD23 LEU B 83 -11.252 3.003 2.816 1.00 2.23 H new ATOM 2985 N ALA B 84 -7.553 3.449 3.944 1.00 0.65 N ATOM 2986 CA ALA B 84 -7.229 3.035 5.309 1.00 0.80 C ATOM 2987 C ALA B 84 -7.800 3.967 6.401 1.00 1.10 C ATOM 2988 O ALA B 84 -8.126 3.498 7.490 1.00 1.25 O ATOM 2989 CB ALA B 84 -5.712 2.879 5.458 1.00 0.86 C ATOM 0 H ALA B 84 -6.750 3.488 3.316 1.00 0.65 H new ATOM 0 HA ALA B 84 -7.718 2.074 5.467 1.00 0.80 H new ATOM 0 HB1 ALA B 84 -5.476 2.571 6.477 1.00 0.86 H new ATOM 0 HB2 ALA B 84 -5.353 2.124 4.758 1.00 0.86 H new ATOM 0 HB3 ALA B 84 -5.226 3.831 5.246 1.00 0.86 H new ATOM 2995 N LYS B 85 -7.912 5.278 6.144 1.00 1.27 N ATOM 2996 CA LYS B 85 -8.474 6.247 7.088 1.00 1.56 C ATOM 2997 C LYS B 85 -10.004 6.209 7.085 1.00 1.62 C ATOM 2998 O LYS B 85 -10.613 6.341 8.150 1.00 1.84 O ATOM 2999 CB LYS B 85 -8.007 7.667 6.750 1.00 1.81 C ATOM 3000 CG LYS B 85 -6.493 7.826 6.916 1.00 1.42 C ATOM 3001 CD LYS B 85 -5.920 8.823 5.905 1.00 1.58 C ATOM 3002 CE LYS B 85 -6.239 10.296 6.198 1.00 1.90 C ATOM 3003 NZ LYS B 85 -5.839 11.159 5.064 1.00 2.46 N ATOM 0 H LYS B 85 -7.611 5.697 5.264 1.00 1.27 H new ATOM 0 HA LYS B 85 -8.118 5.972 8.081 1.00 1.56 H new ATOM 0 HB2 LYS B 85 -8.287 7.906 5.724 1.00 1.81 H new ATOM 0 HB3 LYS B 85 -8.520 8.381 7.395 1.00 1.81 H new ATOM 0 HG2 LYS B 85 -6.270 8.164 7.928 1.00 1.42 H new ATOM 0 HG3 LYS B 85 -6.008 6.858 6.789 1.00 1.42 H new ATOM 0 HD2 LYS B 85 -4.837 8.701 5.870 1.00 1.58 H new ATOM 0 HD3 LYS B 85 -6.301 8.574 4.915 1.00 1.58 H new ATOM 0 HE2 LYS B 85 -7.306 10.410 6.388 1.00 1.90 H new ATOM 0 HE3 LYS B 85 -5.718 10.612 7.102 1.00 1.90 H new ATOM 0 HZ1 LYS B 85 -6.256 12.104 5.183 1.00 2.46 H new ATOM 0 HZ2 LYS B 85 -4.802 11.239 5.037 1.00 2.46 H new ATOM 0 HZ3 LYS B 85 -6.177 10.741 4.174 1.00 2.46 H new ATOM 3017 N GLU B 86 -10.610 6.070 5.896 1.00 1.49 N ATOM 3018 CA GLU B 86 -12.046 5.864 5.729 1.00 1.63 C ATOM 3019 C GLU B 86 -12.460 4.650 6.574 1.00 1.62 C ATOM 3020 O GLU B 86 -13.011 4.809 7.664 1.00 1.79 O ATOM 3021 CB GLU B 86 -12.372 5.662 4.237 1.00 1.56 C ATOM 3022 CG GLU B 86 -12.339 6.989 3.465 1.00 1.55 C ATOM 3023 CD GLU B 86 -11.849 6.830 2.034 1.00 2.00 C ATOM 3024 OE1 GLU B 86 -12.643 6.521 1.119 1.00 3.02 O ATOM 3025 OE2 GLU B 86 -10.646 7.080 1.808 1.00 2.36 O ATOM 0 H GLU B 86 -10.102 6.099 5.012 1.00 1.49 H new ATOM 0 HA GLU B 86 -12.607 6.735 6.068 1.00 1.63 H new ATOM 0 HB2 GLU B 86 -11.655 4.968 3.798 1.00 1.56 H new ATOM 0 HB3 GLU B 86 -13.358 5.207 4.138 1.00 1.56 H new ATOM 0 HG2 GLU B 86 -13.339 7.423 3.455 1.00 1.55 H new ATOM 0 HG3 GLU B 86 -11.692 7.692 3.989 1.00 1.55 H new ATOM 3032 N ILE B 87 -12.199 3.427 6.103 1.00 1.49 N ATOM 3033 CA ILE B 87 -12.624 2.241 6.834 1.00 1.50 C ATOM 3034 C ILE B 87 -11.612 1.944 7.942 1.00 1.45 C ATOM 3035 O ILE B 87 -10.534 1.401 7.710 1.00 1.45 O ATOM 3036 CB ILE B 87 -12.931 1.056 5.890 1.00 1.51 C ATOM 3037 CG1 ILE B 87 -14.412 1.123 5.485 1.00 2.04 C ATOM 3038 CG2 ILE B 87 -12.620 -0.328 6.486 1.00 2.35 C ATOM 3039 CD1 ILE B 87 -15.345 0.669 6.616 1.00 2.62 C ATOM 0 H ILE B 87 -11.703 3.239 5.232 1.00 1.49 H new ATOM 0 HA ILE B 87 -13.579 2.426 7.325 1.00 1.50 H new ATOM 0 HB ILE B 87 -12.271 1.161 5.029 1.00 1.51 H new ATOM 0 HG12 ILE B 87 -14.662 2.144 5.198 1.00 2.04 H new ATOM 0 HG13 ILE B 87 -14.576 0.496 4.608 1.00 2.04 H new ATOM 0 HG21 ILE B 87 -12.865 -1.101 5.758 1.00 2.35 H new ATOM 0 HG22 ILE B 87 -11.561 -0.387 6.736 1.00 2.35 H new ATOM 0 HG23 ILE B 87 -13.214 -0.478 7.387 1.00 2.35 H new ATOM 0 HD11 ILE B 87 -16.380 0.734 6.282 1.00 2.62 H new ATOM 0 HD12 ILE B 87 -15.115 -0.362 6.886 1.00 2.62 H new ATOM 0 HD13 ILE B 87 -15.203 1.312 7.485 1.00 2.62 H new ATOM 3051 N ARG B 88 -11.984 2.306 9.173 1.00 1.49 N ATOM 3052 CA ARG B 88 -11.140 2.133 10.338 1.00 1.55 C ATOM 3053 C ARG B 88 -11.246 0.692 10.845 1.00 1.52 C ATOM 3054 O ARG B 88 -12.342 0.194 11.127 1.00 2.25 O ATOM 3055 CB ARG B 88 -11.527 3.147 11.421 1.00 1.69 C ATOM 3056 CG ARG B 88 -11.250 4.574 10.930 1.00 2.23 C ATOM 3057 CD ARG B 88 -11.516 5.609 12.026 1.00 2.45 C ATOM 3058 NE ARG B 88 -11.183 6.959 11.544 1.00 3.68 N ATOM 3059 CZ ARG B 88 -11.193 8.064 12.307 1.00 4.33 C ATOM 3060 NH1 ARG B 88 -11.593 7.990 13.583 1.00 4.33 N ATOM 3061 NH2 ARG B 88 -10.805 9.238 11.795 1.00 5.70 N ATOM 0 H ARG B 88 -12.888 2.730 9.381 1.00 1.49 H new ATOM 0 HA ARG B 88 -10.100 2.317 10.069 1.00 1.55 H new ATOM 0 HB2 ARG B 88 -12.582 3.039 11.671 1.00 1.69 H new ATOM 0 HB3 ARG B 88 -10.962 2.951 12.332 1.00 1.69 H new ATOM 0 HG2 ARG B 88 -10.214 4.651 10.600 1.00 2.23 H new ATOM 0 HG3 ARG B 88 -11.877 4.790 10.065 1.00 2.23 H new ATOM 0 HD2 ARG B 88 -12.563 5.570 12.326 1.00 2.45 H new ATOM 0 HD3 ARG B 88 -10.923 5.374 12.910 1.00 2.45 H new ATOM 0 HE ARG B 88 -10.927 7.063 10.562 1.00 3.68 H new ATOM 0 HH11 ARG B 88 -11.889 7.096 13.974 1.00 4.33 H new ATOM 0 HH12 ARG B 88 -11.601 8.828 14.164 1.00 4.33 H new ATOM 0 HH21 ARG B 88 -10.501 9.295 10.823 1.00 5.70 H new ATOM 0 HH22 ARG B 88 -10.814 10.076 12.377 1.00 5.70 H new ATOM 3075 N LYS B 89 -10.080 0.050 10.965 1.00 1.20 N ATOM 3076 CA LYS B 89 -9.890 -1.313 11.438 1.00 1.28 C ATOM 3077 C LYS B 89 -9.962 -1.433 12.968 1.00 1.55 C ATOM 3078 O LYS B 89 -10.287 -2.500 13.480 1.00 1.58 O ATOM 3079 CB LYS B 89 -8.533 -1.837 10.937 1.00 1.95 C ATOM 3080 CG LYS B 89 -8.530 -2.211 9.445 1.00 1.44 C ATOM 3081 CD LYS B 89 -8.140 -1.083 8.481 1.00 1.46 C ATOM 3082 CE LYS B 89 -8.379 -1.496 7.018 1.00 1.91 C ATOM 3083 NZ LYS B 89 -7.706 -2.760 6.645 1.00 3.03 N ATOM 0 H LYS B 89 -9.197 0.498 10.719 1.00 1.20 H new ATOM 0 HA LYS B 89 -10.707 -1.914 11.038 1.00 1.28 H new ATOM 0 HB2 LYS B 89 -7.772 -1.077 11.114 1.00 1.95 H new ATOM 0 HB3 LYS B 89 -8.252 -2.712 11.523 1.00 1.95 H new ATOM 0 HG2 LYS B 89 -7.842 -3.044 9.299 1.00 1.44 H new ATOM 0 HG3 LYS B 89 -9.524 -2.567 9.176 1.00 1.44 H new ATOM 0 HD2 LYS B 89 -8.720 -0.189 8.709 1.00 1.46 H new ATOM 0 HD3 LYS B 89 -7.090 -0.826 8.623 1.00 1.46 H new ATOM 0 HE2 LYS B 89 -9.451 -1.600 6.848 1.00 1.91 H new ATOM 0 HE3 LYS B 89 -8.028 -0.699 6.362 1.00 1.91 H new ATOM 0 HZ1 LYS B 89 -7.908 -2.980 5.649 1.00 3.03 H new ATOM 0 HZ2 LYS B 89 -6.679 -2.658 6.776 1.00 3.03 H new ATOM 0 HZ3 LYS B 89 -8.057 -3.531 7.248 1.00 3.03 H new ATOM 3097 N LYS B 90 -9.675 -0.342 13.697 1.00 2.09 N ATOM 3098 CA LYS B 90 -9.572 -0.282 15.158 1.00 2.81 C ATOM 3099 C LYS B 90 -8.372 -1.119 15.611 1.00 1.78 C ATOM 3100 O LYS B 90 -7.345 -0.573 16.006 1.00 1.97 O ATOM 3101 CB LYS B 90 -10.858 -0.688 15.921 1.00 4.59 C ATOM 3102 CG LYS B 90 -12.174 0.010 15.534 1.00 5.83 C ATOM 3103 CD LYS B 90 -12.729 -0.587 14.237 1.00 7.06 C ATOM 3104 CE LYS B 90 -14.155 -0.191 13.863 1.00 8.53 C ATOM 3105 NZ LYS B 90 -14.522 -0.798 12.566 1.00 9.80 N ATOM 0 H LYS B 90 -9.501 0.563 13.260 1.00 2.09 H new ATOM 0 HA LYS B 90 -9.428 0.767 15.416 1.00 2.81 H new ATOM 0 HB2 LYS B 90 -10.998 -1.761 15.793 1.00 4.59 H new ATOM 0 HB3 LYS B 90 -10.686 -0.513 16.983 1.00 4.59 H new ATOM 0 HG2 LYS B 90 -12.903 -0.103 16.336 1.00 5.83 H new ATOM 0 HG3 LYS B 90 -12.003 1.079 15.407 1.00 5.83 H new ATOM 0 HD2 LYS B 90 -12.069 -0.299 13.419 1.00 7.06 H new ATOM 0 HD3 LYS B 90 -12.685 -1.673 14.315 1.00 7.06 H new ATOM 0 HE2 LYS B 90 -14.848 -0.520 14.637 1.00 8.53 H new ATOM 0 HE3 LYS B 90 -14.236 0.894 13.802 1.00 8.53 H new ATOM 0 HZ1 LYS B 90 -15.453 -0.444 12.268 1.00 9.80 H new ATOM 0 HZ2 LYS B 90 -13.811 -0.545 11.851 1.00 9.80 H new ATOM 0 HZ3 LYS B 90 -14.561 -1.833 12.665 1.00 9.80 H new ATOM 3119 N LYS B 91 -8.513 -2.443 15.528 1.00 1.73 N ATOM 3120 CA LYS B 91 -7.441 -3.412 15.670 1.00 2.55 C ATOM 3121 C LYS B 91 -7.802 -4.637 14.826 1.00 2.74 C ATOM 3122 O LYS B 91 -7.142 -4.941 13.834 1.00 3.45 O ATOM 3123 CB LYS B 91 -7.320 -3.853 17.137 1.00 3.87 C ATOM 3124 CG LYS B 91 -6.810 -2.797 18.120 1.00 4.35 C ATOM 3125 CD LYS B 91 -6.738 -3.464 19.501 1.00 5.56 C ATOM 3126 CE LYS B 91 -6.339 -2.465 20.593 1.00 6.33 C ATOM 3127 NZ LYS B 91 -6.337 -3.097 21.929 1.00 7.49 N ATOM 0 H LYS B 91 -9.417 -2.881 15.353 1.00 1.73 H new ATOM 0 HA LYS B 91 -6.498 -2.970 15.348 1.00 2.55 H new ATOM 0 HB2 LYS B 91 -8.300 -4.191 17.475 1.00 3.87 H new ATOM 0 HB3 LYS B 91 -6.653 -4.714 17.182 1.00 3.87 H new ATOM 0 HG2 LYS B 91 -5.829 -2.431 17.817 1.00 4.35 H new ATOM 0 HG3 LYS B 91 -7.479 -1.936 18.142 1.00 4.35 H new ATOM 0 HD2 LYS B 91 -7.706 -3.902 19.745 1.00 5.56 H new ATOM 0 HD3 LYS B 91 -6.017 -4.281 19.474 1.00 5.56 H new ATOM 0 HE2 LYS B 91 -5.349 -2.064 20.377 1.00 6.33 H new ATOM 0 HE3 LYS B 91 -7.031 -1.623 20.588 1.00 6.33 H new ATOM 0 HZ1 LYS B 91 -6.063 -2.394 22.645 1.00 7.49 H new ATOM 0 HZ2 LYS B 91 -7.289 -3.457 22.144 1.00 7.49 H new ATOM 0 HZ3 LYS B 91 -5.658 -3.885 21.939 1.00 7.49 H new ATOM 3141 N ASP B 92 -8.891 -5.319 15.191 1.00 2.80 N ATOM 3142 CA ASP B 92 -9.086 -6.702 14.819 1.00 3.42 C ATOM 3143 C ASP B 92 -10.103 -6.777 13.697 1.00 2.69 C ATOM 3144 O ASP B 92 -11.075 -7.493 13.828 1.00 3.28 O ATOM 3145 CB ASP B 92 -9.499 -7.462 16.087 1.00 4.68 C ATOM 3146 CG ASP B 92 -8.506 -7.287 17.230 1.00 5.98 C ATOM 3147 OD1 ASP B 92 -7.436 -7.926 17.157 1.00 7.47 O ATOM 3148 OD2 ASP B 92 -8.830 -6.495 18.142 1.00 5.89 O ATOM 0 H ASP B 92 -9.649 -4.923 15.747 1.00 2.80 H new ATOM 0 HA ASP B 92 -8.179 -7.167 14.432 1.00 3.42 H new ATOM 0 HB2 ASP B 92 -10.481 -7.116 16.409 1.00 4.68 H new ATOM 0 HB3 ASP B 92 -9.595 -8.523 15.854 1.00 4.68 H new ATOM 3153 N LEU B 93 -9.885 -6.100 12.566 1.00 1.69 N ATOM 3154 CA LEU B 93 -10.927 -5.947 11.542 1.00 1.06 C ATOM 3155 C LEU B 93 -11.642 -7.255 11.168 1.00 0.98 C ATOM 3156 O LEU B 93 -12.867 -7.289 11.069 1.00 1.17 O ATOM 3157 CB LEU B 93 -10.442 -5.128 10.333 1.00 1.51 C ATOM 3158 CG LEU B 93 -9.351 -5.689 9.398 1.00 1.35 C ATOM 3159 CD1 LEU B 93 -8.119 -6.212 10.145 1.00 2.11 C ATOM 3160 CD2 LEU B 93 -9.877 -6.668 8.341 1.00 2.59 C ATOM 0 H LEU B 93 -8.999 -5.650 12.335 1.00 1.69 H new ATOM 0 HA LEU B 93 -11.713 -5.353 12.008 1.00 1.06 H new ATOM 0 HB2 LEU B 93 -11.316 -4.914 9.717 1.00 1.51 H new ATOM 0 HB3 LEU B 93 -10.080 -4.173 10.715 1.00 1.51 H new ATOM 0 HG LEU B 93 -9.005 -4.825 8.831 1.00 1.35 H new ATOM 0 HD11 LEU B 93 -7.392 -6.592 9.427 1.00 2.11 H new ATOM 0 HD12 LEU B 93 -7.671 -5.402 10.721 1.00 2.11 H new ATOM 0 HD13 LEU B 93 -8.416 -7.015 10.819 1.00 2.11 H new ATOM 0 HD21 LEU B 93 -9.049 -7.017 7.724 1.00 2.59 H new ATOM 0 HD22 LEU B 93 -10.346 -7.519 8.835 1.00 2.59 H new ATOM 0 HD23 LEU B 93 -10.611 -6.164 7.712 1.00 2.59 H new ATOM 3172 N LYS B 94 -10.886 -8.352 11.074 1.00 1.30 N ATOM 3173 CA LYS B 94 -11.386 -9.674 10.713 1.00 1.49 C ATOM 3174 C LYS B 94 -12.475 -10.194 11.668 1.00 1.77 C ATOM 3175 O LYS B 94 -13.198 -11.128 11.331 1.00 1.89 O ATOM 3176 CB LYS B 94 -10.227 -10.660 10.513 1.00 2.19 C ATOM 3177 CG LYS B 94 -9.240 -10.155 9.451 1.00 3.43 C ATOM 3178 CD LYS B 94 -8.104 -11.150 9.175 1.00 4.41 C ATOM 3179 CE LYS B 94 -7.140 -10.506 8.168 1.00 6.09 C ATOM 3180 NZ LYS B 94 -5.998 -11.365 7.789 1.00 7.28 N ATOM 0 H LYS B 94 -9.882 -8.341 11.253 1.00 1.30 H new ATOM 0 HA LYS B 94 -11.894 -9.578 9.753 1.00 1.49 H new ATOM 0 HB2 LYS B 94 -9.704 -10.806 11.458 1.00 2.19 H new ATOM 0 HB3 LYS B 94 -10.621 -11.631 10.214 1.00 2.19 H new ATOM 0 HG2 LYS B 94 -9.779 -9.960 8.524 1.00 3.43 H new ATOM 0 HG3 LYS B 94 -8.815 -9.206 9.778 1.00 3.43 H new ATOM 0 HD2 LYS B 94 -7.581 -11.396 10.099 1.00 4.41 H new ATOM 0 HD3 LYS B 94 -8.503 -12.083 8.777 1.00 4.41 H new ATOM 0 HE2 LYS B 94 -7.695 -10.241 7.268 1.00 6.09 H new ATOM 0 HE3 LYS B 94 -6.757 -9.577 8.591 1.00 6.09 H new ATOM 0 HZ1 LYS B 94 -5.768 -11.214 6.786 1.00 7.28 H new ATOM 0 HZ2 LYS B 94 -5.173 -11.124 8.374 1.00 7.28 H new ATOM 0 HZ3 LYS B 94 -6.249 -12.363 7.940 1.00 7.28 H new ATOM 3194 N ILE B 95 -12.580 -9.611 12.867 1.00 2.08 N ATOM 3195 CA ILE B 95 -13.672 -9.785 13.818 1.00 2.56 C ATOM 3196 C ILE B 95 -15.045 -9.481 13.189 1.00 2.49 C ATOM 3197 O ILE B 95 -16.065 -9.938 13.703 1.00 2.92 O ATOM 3198 CB ILE B 95 -13.364 -8.979 15.102 1.00 2.99 C ATOM 3199 CG1 ILE B 95 -13.506 -7.449 14.960 1.00 2.54 C ATOM 3200 CG2 ILE B 95 -12.081 -9.515 15.751 1.00 5.45 C ATOM 3201 CD1 ILE B 95 -14.846 -6.942 15.495 1.00 2.52 C ATOM 0 H ILE B 95 -11.865 -8.972 13.214 1.00 2.08 H new ATOM 0 HA ILE B 95 -13.743 -10.834 14.106 1.00 2.56 H new ATOM 0 HB ILE B 95 -14.157 -9.155 15.828 1.00 2.99 H new ATOM 0 HG12 ILE B 95 -12.693 -6.959 15.496 1.00 2.54 H new ATOM 0 HG13 ILE B 95 -13.407 -7.172 13.910 1.00 2.54 H new ATOM 0 HG21 ILE B 95 -11.866 -8.946 16.655 1.00 5.45 H new ATOM 0 HG22 ILE B 95 -12.214 -10.566 16.007 1.00 5.45 H new ATOM 0 HG23 ILE B 95 -11.250 -9.414 15.052 1.00 5.45 H new ATOM 0 HD11 ILE B 95 -14.900 -5.860 15.374 1.00 2.52 H new ATOM 0 HD12 ILE B 95 -15.660 -7.410 14.941 1.00 2.52 H new ATOM 0 HD13 ILE B 95 -14.934 -7.194 16.552 1.00 2.52 H new ATOM 3213 N ARG B 96 -15.089 -8.743 12.068 1.00 2.11 N ATOM 3214 CA ARG B 96 -16.183 -8.776 11.093 1.00 2.40 C ATOM 3215 C ARG B 96 -17.435 -8.012 11.544 1.00 2.84 C ATOM 3216 O ARG B 96 -18.474 -8.096 10.885 1.00 3.68 O ATOM 3217 CB ARG B 96 -16.497 -10.246 10.719 1.00 2.80 C ATOM 3218 CG ARG B 96 -17.385 -10.425 9.480 1.00 2.40 C ATOM 3219 CD ARG B 96 -18.789 -10.941 9.826 1.00 2.93 C ATOM 3220 NE ARG B 96 -19.671 -10.902 8.648 1.00 3.15 N ATOM 3221 CZ ARG B 96 -20.215 -9.788 8.131 1.00 3.24 C ATOM 3222 NH1 ARG B 96 -19.992 -8.599 8.701 1.00 3.42 N ATOM 3223 NH2 ARG B 96 -20.986 -9.872 7.040 1.00 4.55 N ATOM 0 H ARG B 96 -14.346 -8.093 11.812 1.00 2.11 H new ATOM 0 HA ARG B 96 -15.845 -8.245 10.203 1.00 2.40 H new ATOM 0 HB2 ARG B 96 -15.557 -10.771 10.552 1.00 2.80 H new ATOM 0 HB3 ARG B 96 -16.984 -10.725 11.568 1.00 2.80 H new ATOM 0 HG2 ARG B 96 -17.471 -9.471 8.959 1.00 2.40 H new ATOM 0 HG3 ARG B 96 -16.906 -11.122 8.792 1.00 2.40 H new ATOM 0 HD2 ARG B 96 -18.723 -11.962 10.201 1.00 2.93 H new ATOM 0 HD3 ARG B 96 -19.216 -10.335 10.625 1.00 2.93 H new ATOM 0 HE ARG B 96 -19.885 -11.788 8.190 1.00 3.15 H new ATOM 0 HH11 ARG B 96 -19.406 -8.534 9.533 1.00 3.42 H new ATOM 0 HH12 ARG B 96 -20.408 -7.757 8.303 1.00 3.42 H new ATOM 0 HH21 ARG B 96 -21.158 -10.779 6.606 1.00 4.55 H new ATOM 0 HH22 ARG B 96 -21.402 -9.029 6.643 1.00 4.55 H new