USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 667 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 52 ASN :FLIP amide:sc= -7.68! C(o=-12!,f=-12!) USER MOD Set 1.2: B 16 SER OG : rot 59:sc= -3.95! USER MOD Set 2.1: A 46 MET CE :methyl -112:sc= -2.36! (180deg=-5.67!) USER MOD Set 2.2: B 9 ASN :FLIP amide:sc= -4.69! C(o=-7.9!,f=-7!) USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.0164 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl -141:sc= -2.06 (180deg=-4.75!) USER MOD Single : A 14 SER OG : rot 89:sc= 0.128 USER MOD Single : A 18 GLN : amide:sc= 0.829 K(o=0.83,f=-6.8!) USER MOD Single : A 20 GLN : amide:sc= -0.305 X(o=-0.3,f=-0.0048) USER MOD Single : A 21 LYS NZ :NH3+ 155:sc= -0.0567 (180deg=-0.386) USER MOD Single : A 22 GLN : amide:sc= -1.21 K(o=-1.2,f=-1.8) USER MOD Single : A 23 MET CE :methyl 177:sc= -1.02 (180deg=-1.12) USER MOD Single : A 33 GLN : amide:sc= -0.08 K(o=-0.08,f=-0.83) USER MOD Single : A 35 MET CE :methyl 159:sc= -0.055 (180deg=-0.742) USER MOD Single : A 36 HIS :FLIP no HD1:sc= -7.33! C(o=-9.4!,f=-7.3!) USER MOD Single : A 38 THR OG1 : rot 180:sc= -1.2 USER MOD Single : A 42 LYS NZ :NH3+ -115:sc= 1.07 (180deg=-1.19) USER MOD Single : A 44 THR OG1 : rot 83:sc= -0.215 USER MOD Single : A 53 SER OG : rot -93:sc= 0.421 USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=-0.048) USER MOD Single : A 58 MET CE :methyl -145:sc= -6.56! (180deg=-9.51!) USER MOD Single : A 61 SER OG : rot 23:sc= 0.00847 USER MOD Single : A 64 SER OG : rot 103:sc= 1.22 USER MOD Single : A 67 SER OG : rot 71:sc= 1.12 USER MOD Single : A 68 LYS NZ :NH3+ 142:sc= 1.15 (180deg=-0.368) USER MOD Single : A 77 GLN : amide:sc= -0.159 X(o=-0.16,f=0) USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 5 LYS NZ :NH3+ -139:sc= -0.321 (180deg=-2.35!) USER MOD Single : B 7 SER OG : rot -135:sc= 1.18 USER MOD Single : B 14 TYR OH : rot 180:sc= 0 USER MOD Single : B 18 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 94 N THR A 8 -3.358 -8.270 -11.730 1.00 0.00 N ATOM 95 CA THR A 8 -4.192 -7.093 -11.514 1.00 0.00 C ATOM 96 C THR A 8 -5.193 -6.919 -12.640 1.00 0.00 C ATOM 97 O THR A 8 -6.335 -6.519 -12.406 1.00 0.00 O ATOM 98 CB THR A 8 -3.321 -5.839 -11.408 1.00 0.00 C ATOM 99 OG1 THR A 8 -2.905 -5.409 -12.693 1.00 0.00 O ATOM 100 CG2 THR A 8 -2.076 -6.032 -10.567 1.00 0.00 C ATOM 0 HA THR A 8 -4.738 -7.237 -10.582 1.00 0.00 H new ATOM 0 HB THR A 8 -3.952 -5.095 -10.922 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.351 -4.606 -12.606 1.00 0.00 H new ATOM 0 HG21 THR A 8 -1.509 -5.102 -10.538 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.362 -6.315 -9.554 1.00 0.00 H new ATOM 0 HG23 THR A 8 -1.460 -6.818 -11.004 1.00 0.00 H new ATOM 108 N ALA A 9 -4.785 -7.240 -13.860 1.00 0.00 N ATOM 109 CA ALA A 9 -5.687 -7.133 -14.990 1.00 0.00 C ATOM 110 C ALA A 9 -6.902 -8.018 -14.749 1.00 0.00 C ATOM 111 O ALA A 9 -8.012 -7.527 -14.547 1.00 0.00 O ATOM 112 CB ALA A 9 -4.981 -7.521 -16.283 1.00 0.00 C ATOM 0 H ALA A 9 -3.848 -7.572 -14.088 1.00 0.00 H new ATOM 0 HA ALA A 9 -6.014 -6.098 -15.091 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -5.676 -7.433 -17.118 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -4.132 -6.858 -16.447 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -4.629 -8.550 -16.211 1.00 0.00 H new ATOM 118 N SER A 10 -6.686 -9.328 -14.796 1.00 0.00 N ATOM 119 CA SER A 10 -7.770 -10.289 -14.605 1.00 0.00 C ATOM 120 C SER A 10 -8.473 -10.098 -13.265 1.00 0.00 C ATOM 121 O SER A 10 -9.636 -10.480 -13.109 1.00 0.00 O ATOM 122 CB SER A 10 -7.238 -11.719 -14.711 1.00 0.00 C ATOM 123 OG SER A 10 -6.101 -11.908 -13.884 1.00 0.00 O ATOM 0 H SER A 10 -5.773 -9.750 -14.964 1.00 0.00 H new ATOM 0 HA SER A 10 -8.501 -10.112 -15.394 1.00 0.00 H new ATOM 0 HB2 SER A 10 -8.020 -12.422 -14.425 1.00 0.00 H new ATOM 0 HB3 SER A 10 -6.977 -11.937 -15.747 1.00 0.00 H new ATOM 0 HG SER A 10 -5.783 -12.831 -13.970 1.00 0.00 H new ATOM 129 N MET A 11 -7.787 -9.501 -12.294 1.00 0.00 N ATOM 130 CA MET A 11 -8.397 -9.282 -10.993 1.00 0.00 C ATOM 131 C MET A 11 -9.591 -8.348 -11.142 1.00 0.00 C ATOM 132 O MET A 11 -10.648 -8.563 -10.550 1.00 0.00 O ATOM 133 CB MET A 11 -7.347 -8.732 -10.019 1.00 0.00 C ATOM 134 CG MET A 11 -7.641 -7.355 -9.458 1.00 0.00 C ATOM 135 SD MET A 11 -8.775 -7.416 -8.066 1.00 0.00 S ATOM 136 CE MET A 11 -7.631 -7.784 -6.739 1.00 0.00 C ATOM 0 H MET A 11 -6.827 -9.167 -12.383 1.00 0.00 H new ATOM 0 HA MET A 11 -8.764 -10.223 -10.583 1.00 0.00 H new ATOM 0 HB2 MET A 11 -7.245 -9.430 -9.188 1.00 0.00 H new ATOM 0 HB3 MET A 11 -6.384 -8.700 -10.529 1.00 0.00 H new ATOM 0 HG2 MET A 11 -6.708 -6.886 -9.144 1.00 0.00 H new ATOM 0 HG3 MET A 11 -8.065 -6.728 -10.242 1.00 0.00 H new ATOM 0 HE1 MET A 11 -8.091 -8.490 -6.047 1.00 0.00 H new ATOM 0 HE2 MET A 11 -6.722 -8.222 -7.153 1.00 0.00 H new ATOM 0 HE3 MET A 11 -7.382 -6.865 -6.208 1.00 0.00 H new ATOM 146 N LEU A 12 -9.413 -7.320 -11.956 1.00 0.00 N ATOM 147 CA LEU A 12 -10.472 -6.355 -12.218 1.00 0.00 C ATOM 148 C LEU A 12 -11.696 -7.065 -12.783 1.00 0.00 C ATOM 149 O LEU A 12 -12.793 -6.972 -12.232 1.00 0.00 O ATOM 150 CB LEU A 12 -9.986 -5.282 -13.200 1.00 0.00 C ATOM 151 CG LEU A 12 -10.470 -3.857 -12.907 1.00 0.00 C ATOM 152 CD1 LEU A 12 -11.850 -3.626 -13.506 1.00 0.00 C ATOM 153 CD2 LEU A 12 -10.488 -3.595 -11.410 1.00 0.00 C ATOM 0 H LEU A 12 -8.541 -7.131 -12.450 1.00 0.00 H new ATOM 0 HA LEU A 12 -10.744 -5.871 -11.280 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -8.896 -5.284 -13.204 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -10.309 -5.559 -14.204 1.00 0.00 H new ATOM 0 HG LEU A 12 -9.773 -3.158 -13.370 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -12.176 -2.609 -13.287 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -11.807 -3.769 -14.586 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -12.557 -4.334 -13.075 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -10.834 -2.579 -11.223 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -11.160 -4.303 -10.925 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -9.482 -3.716 -11.007 1.00 0.00 H new ATOM 165 N ALA A 13 -11.492 -7.795 -13.877 1.00 0.00 N ATOM 166 CA ALA A 13 -12.568 -8.547 -14.516 1.00 0.00 C ATOM 167 C ALA A 13 -12.984 -9.755 -13.676 1.00 0.00 C ATOM 168 O ALA A 13 -13.818 -10.557 -14.098 1.00 0.00 O ATOM 169 CB ALA A 13 -12.138 -8.998 -15.900 1.00 0.00 C ATOM 0 H ALA A 13 -10.588 -7.882 -14.341 1.00 0.00 H new ATOM 0 HA ALA A 13 -13.431 -7.887 -14.603 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -12.948 -9.558 -16.368 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -11.900 -8.126 -16.509 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -11.257 -9.634 -15.818 1.00 0.00 H new ATOM 175 N SER A 14 -12.411 -9.871 -12.483 1.00 0.00 N ATOM 176 CA SER A 14 -12.731 -10.970 -11.581 1.00 0.00 C ATOM 177 C SER A 14 -13.721 -10.531 -10.502 1.00 0.00 C ATOM 178 O SER A 14 -13.995 -11.281 -9.566 1.00 0.00 O ATOM 179 CB SER A 14 -11.455 -11.516 -10.932 1.00 0.00 C ATOM 180 OG SER A 14 -10.983 -12.673 -11.605 1.00 0.00 O ATOM 0 H SER A 14 -11.721 -9.215 -12.118 1.00 0.00 H new ATOM 0 HA SER A 14 -13.198 -11.760 -12.170 1.00 0.00 H new ATOM 0 HB2 SER A 14 -10.682 -10.747 -10.943 1.00 0.00 H new ATOM 0 HB3 SER A 14 -11.651 -11.756 -9.887 1.00 0.00 H new ATOM 0 HG SER A 14 -10.383 -12.406 -12.332 1.00 0.00 H new ATOM 186 N ALA A 15 -14.260 -9.319 -10.632 1.00 0.00 N ATOM 187 CA ALA A 15 -15.216 -8.809 -9.662 1.00 0.00 C ATOM 188 C ALA A 15 -16.400 -8.125 -10.350 1.00 0.00 C ATOM 189 O ALA A 15 -16.241 -7.507 -11.403 1.00 0.00 O ATOM 190 CB ALA A 15 -14.527 -7.843 -8.715 1.00 0.00 C ATOM 0 H ALA A 15 -14.049 -8.678 -11.397 1.00 0.00 H new ATOM 0 HA ALA A 15 -15.605 -9.654 -9.094 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -15.249 -7.465 -7.991 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -13.723 -8.359 -8.190 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -14.113 -7.010 -9.283 1.00 0.00 H new ATOM 196 N PRO A 16 -17.609 -8.236 -9.762 1.00 0.00 N ATOM 197 CA PRO A 16 -18.829 -7.637 -10.313 1.00 0.00 C ATOM 198 C PRO A 16 -18.624 -6.195 -10.781 1.00 0.00 C ATOM 199 O PRO A 16 -17.536 -5.635 -10.652 1.00 0.00 O ATOM 200 CB PRO A 16 -19.831 -7.680 -9.149 1.00 0.00 C ATOM 201 CG PRO A 16 -19.121 -8.305 -7.988 1.00 0.00 C ATOM 202 CD PRO A 16 -17.880 -8.967 -8.521 1.00 0.00 C ATOM 0 HA PRO A 16 -19.164 -8.178 -11.198 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -20.174 -6.676 -8.897 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -20.713 -8.260 -9.420 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -18.864 -7.551 -7.244 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -19.763 -9.034 -7.494 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -17.050 -8.888 -7.819 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -18.040 -10.029 -8.707 1.00 0.00 H new ATOM 210 N PRO A 17 -19.681 -5.575 -11.342 1.00 0.00 N ATOM 211 CA PRO A 17 -19.622 -4.199 -11.842 1.00 0.00 C ATOM 212 C PRO A 17 -18.993 -3.222 -10.849 1.00 0.00 C ATOM 213 O PRO A 17 -17.847 -2.824 -11.019 1.00 0.00 O ATOM 214 CB PRO A 17 -21.090 -3.850 -12.101 1.00 0.00 C ATOM 215 CG PRO A 17 -21.744 -5.158 -12.377 1.00 0.00 C ATOM 216 CD PRO A 17 -21.016 -6.176 -11.540 1.00 0.00 C ATOM 0 HA PRO A 17 -18.990 -4.122 -12.726 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -21.538 -3.357 -11.238 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -21.192 -3.169 -12.946 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -22.802 -5.126 -12.118 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -21.682 -5.409 -13.436 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -21.522 -6.350 -10.590 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -20.951 -7.139 -12.047 1.00 0.00 H new ATOM 224 N GLN A 18 -19.746 -2.829 -9.821 1.00 0.00 N ATOM 225 CA GLN A 18 -19.246 -1.882 -8.822 1.00 0.00 C ATOM 226 C GLN A 18 -17.970 -2.378 -8.160 1.00 0.00 C ATOM 227 O GLN A 18 -17.220 -1.590 -7.588 1.00 0.00 O ATOM 228 CB GLN A 18 -20.314 -1.602 -7.764 1.00 0.00 C ATOM 229 CG GLN A 18 -20.836 -2.852 -7.077 1.00 0.00 C ATOM 230 CD GLN A 18 -22.122 -3.360 -7.695 1.00 0.00 C ATOM 231 OE1 GLN A 18 -22.172 -3.673 -8.886 1.00 0.00 O ATOM 232 NE2 GLN A 18 -23.173 -3.447 -6.888 1.00 0.00 N ATOM 0 H GLN A 18 -20.700 -3.150 -9.658 1.00 0.00 H new ATOM 0 HA GLN A 18 -19.010 -0.955 -9.345 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -19.900 -0.931 -7.012 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -21.149 -1.080 -8.232 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -20.078 -3.634 -7.128 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -21.003 -2.639 -6.021 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -23.087 -3.177 -5.908 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -24.066 -3.784 -7.248 1.00 0.00 H new ATOM 241 N GLU A 19 -17.706 -3.673 -8.247 1.00 0.00 N ATOM 242 CA GLU A 19 -16.498 -4.229 -7.658 1.00 0.00 C ATOM 243 C GLU A 19 -15.321 -4.068 -8.618 1.00 0.00 C ATOM 244 O GLU A 19 -14.442 -4.923 -8.686 1.00 0.00 O ATOM 245 CB GLU A 19 -16.703 -5.704 -7.307 1.00 0.00 C ATOM 246 CG GLU A 19 -17.437 -5.922 -5.992 1.00 0.00 C ATOM 247 CD GLU A 19 -17.029 -7.212 -5.306 1.00 0.00 C ATOM 248 OE1 GLU A 19 -15.816 -7.407 -5.084 1.00 0.00 O ATOM 249 OE2 GLU A 19 -17.922 -8.027 -4.993 1.00 0.00 O ATOM 0 H GLU A 19 -18.306 -4.353 -8.715 1.00 0.00 H new ATOM 0 HA GLU A 19 -16.277 -3.685 -6.740 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -17.262 -6.185 -8.109 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -15.731 -6.195 -7.257 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -17.240 -5.082 -5.326 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -18.511 -5.937 -6.177 1.00 0.00 H new ATOM 256 N GLN A 20 -15.285 -2.938 -9.319 1.00 0.00 N ATOM 257 CA GLN A 20 -14.182 -2.644 -10.228 1.00 0.00 C ATOM 258 C GLN A 20 -12.915 -2.355 -9.427 1.00 0.00 C ATOM 259 O GLN A 20 -12.094 -3.236 -9.179 1.00 0.00 O ATOM 260 CB GLN A 20 -14.492 -1.465 -11.177 1.00 0.00 C ATOM 261 CG GLN A 20 -15.771 -0.703 -10.865 1.00 0.00 C ATOM 262 CD GLN A 20 -16.197 0.205 -12.001 1.00 0.00 C ATOM 263 OE1 GLN A 20 -17.293 0.069 -12.545 1.00 0.00 O ATOM 264 NE2 GLN A 20 -15.324 1.138 -12.369 1.00 0.00 N ATOM 0 H GLN A 20 -16.003 -2.215 -9.275 1.00 0.00 H new ATOM 0 HA GLN A 20 -14.034 -3.524 -10.853 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -13.656 -0.767 -11.149 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -14.554 -1.846 -12.196 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -16.570 -1.413 -10.652 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -15.625 -0.108 -9.964 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -14.427 1.214 -11.890 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -15.551 1.777 -13.131 1.00 0.00 H new ATOM 273 N LYS A 21 -12.788 -1.097 -9.017 1.00 0.00 N ATOM 274 CA LYS A 21 -11.653 -0.623 -8.229 1.00 0.00 C ATOM 275 C LYS A 21 -11.796 -0.997 -6.754 1.00 0.00 C ATOM 276 O LYS A 21 -11.108 -0.442 -5.900 1.00 0.00 O ATOM 277 CB LYS A 21 -11.523 0.893 -8.366 1.00 0.00 C ATOM 278 CG LYS A 21 -12.141 1.441 -9.646 1.00 0.00 C ATOM 279 CD LYS A 21 -11.140 2.245 -10.453 1.00 0.00 C ATOM 280 CE LYS A 21 -10.509 1.395 -11.541 1.00 0.00 C ATOM 281 NZ LYS A 21 -11.491 1.041 -12.603 1.00 0.00 N ATOM 0 H LYS A 21 -13.475 -0.371 -9.223 1.00 0.00 H new ATOM 0 HA LYS A 21 -10.755 -1.107 -8.613 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -11.999 1.370 -7.509 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -10.468 1.164 -8.336 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -12.517 0.616 -10.251 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -12.996 2.069 -9.397 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -11.637 3.106 -10.901 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -10.364 2.633 -9.793 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.672 1.934 -11.985 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -10.104 0.483 -11.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -10.987 0.850 -13.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -12.021 0.193 -12.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -12.152 1.832 -12.743 1.00 0.00 H new ATOM 295 N GLN A 22 -12.687 -1.934 -6.463 1.00 0.00 N ATOM 296 CA GLN A 22 -12.923 -2.369 -5.088 1.00 0.00 C ATOM 297 C GLN A 22 -11.685 -3.008 -4.483 1.00 0.00 C ATOM 298 O GLN A 22 -11.128 -2.502 -3.510 1.00 0.00 O ATOM 299 CB GLN A 22 -14.093 -3.352 -5.036 1.00 0.00 C ATOM 300 CG GLN A 22 -15.143 -2.996 -3.993 1.00 0.00 C ATOM 301 CD GLN A 22 -14.657 -3.223 -2.574 1.00 0.00 C ATOM 302 OE1 GLN A 22 -13.748 -4.017 -2.336 1.00 0.00 O ATOM 303 NE2 GLN A 22 -15.262 -2.522 -1.623 1.00 0.00 N ATOM 0 H GLN A 22 -13.260 -2.410 -7.159 1.00 0.00 H new ATOM 0 HA GLN A 22 -13.167 -1.484 -4.500 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -14.567 -3.392 -6.017 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -13.709 -4.350 -4.826 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -15.428 -1.951 -4.112 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -16.039 -3.593 -4.166 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -16.012 -1.874 -1.866 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -14.977 -2.631 -0.650 1.00 0.00 H new ATOM 312 N MET A 23 -11.261 -4.128 -5.051 1.00 0.00 N ATOM 313 CA MET A 23 -10.093 -4.827 -4.544 1.00 0.00 C ATOM 314 C MET A 23 -8.860 -3.921 -4.577 1.00 0.00 C ATOM 315 O MET A 23 -8.583 -3.227 -3.609 1.00 0.00 O ATOM 316 CB MET A 23 -9.853 -6.109 -5.341 1.00 0.00 C ATOM 317 CG MET A 23 -11.094 -6.973 -5.524 1.00 0.00 C ATOM 318 SD MET A 23 -11.465 -7.971 -4.069 1.00 0.00 S ATOM 319 CE MET A 23 -13.250 -8.067 -4.171 1.00 0.00 C ATOM 0 H MET A 23 -11.705 -4.568 -5.857 1.00 0.00 H new ATOM 0 HA MET A 23 -10.278 -5.100 -3.505 1.00 0.00 H new ATOM 0 HB2 MET A 23 -9.460 -5.845 -6.323 1.00 0.00 H new ATOM 0 HB3 MET A 23 -9.085 -6.697 -4.838 1.00 0.00 H new ATOM 0 HG2 MET A 23 -11.948 -6.333 -5.749 1.00 0.00 H new ATOM 0 HG3 MET A 23 -10.952 -7.629 -6.383 1.00 0.00 H new ATOM 0 HE1 MET A 23 -13.627 -8.699 -3.367 1.00 0.00 H new ATOM 0 HE2 MET A 23 -13.674 -7.067 -4.076 1.00 0.00 H new ATOM 0 HE3 MET A 23 -13.537 -8.493 -5.132 1.00 0.00 H new ATOM 329 N LEU A 24 -8.118 -3.936 -5.688 1.00 0.00 N ATOM 330 CA LEU A 24 -6.910 -3.110 -5.825 1.00 0.00 C ATOM 331 C LEU A 24 -7.215 -1.611 -5.770 1.00 0.00 C ATOM 332 O LEU A 24 -6.829 -0.876 -6.679 1.00 0.00 O ATOM 333 CB LEU A 24 -6.160 -3.413 -7.140 1.00 0.00 C ATOM 334 CG LEU A 24 -6.824 -4.380 -8.116 1.00 0.00 C ATOM 335 CD1 LEU A 24 -8.053 -3.742 -8.746 1.00 0.00 C ATOM 336 CD2 LEU A 24 -5.820 -4.795 -9.179 1.00 0.00 C ATOM 0 H LEU A 24 -8.330 -4.509 -6.505 1.00 0.00 H new ATOM 0 HA LEU A 24 -6.280 -3.370 -4.974 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.995 -2.469 -7.660 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.178 -3.812 -6.885 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.152 -5.268 -7.576 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -8.514 -4.446 -9.439 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -8.768 -3.481 -7.966 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -7.759 -2.841 -9.285 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.293 -5.486 -9.877 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.476 -3.913 -9.719 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.969 -5.284 -8.705 1.00 0.00 H new ATOM 348 N GLY A 25 -7.895 -1.144 -4.715 1.00 0.00 N ATOM 349 CA GLY A 25 -8.211 0.271 -4.616 1.00 0.00 C ATOM 350 C GLY A 25 -8.358 0.927 -5.980 1.00 0.00 C ATOM 351 O GLY A 25 -8.889 0.321 -6.910 1.00 0.00 O ATOM 0 H GLY A 25 -8.227 -1.717 -3.939 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -9.136 0.396 -4.054 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -7.426 0.778 -4.054 1.00 0.00 H new ATOM 355 N GLU A 26 -7.864 2.149 -6.109 1.00 0.00 N ATOM 356 CA GLU A 26 -7.919 2.854 -7.383 1.00 0.00 C ATOM 357 C GLU A 26 -6.884 2.269 -8.350 1.00 0.00 C ATOM 358 O GLU A 26 -7.194 1.398 -9.164 1.00 0.00 O ATOM 359 CB GLU A 26 -7.694 4.366 -7.206 1.00 0.00 C ATOM 360 CG GLU A 26 -7.262 4.783 -5.806 1.00 0.00 C ATOM 361 CD GLU A 26 -8.407 4.787 -4.811 1.00 0.00 C ATOM 362 OE1 GLU A 26 -8.801 3.697 -4.348 1.00 0.00 O ATOM 363 OE2 GLU A 26 -8.907 5.887 -4.489 1.00 0.00 O ATOM 0 H GLU A 26 -7.423 2.672 -5.352 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.917 2.718 -7.799 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -6.937 4.693 -7.918 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -8.616 4.889 -7.458 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.484 4.105 -5.454 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -6.821 5.779 -5.849 1.00 0.00 H new ATOM 370 N ARG A 27 -5.655 2.776 -8.249 1.00 0.00 N ATOM 371 CA ARG A 27 -4.548 2.338 -9.104 1.00 0.00 C ATOM 372 C ARG A 27 -3.241 2.206 -8.317 1.00 0.00 C ATOM 373 O ARG A 27 -2.162 2.096 -8.903 1.00 0.00 O ATOM 374 CB ARG A 27 -4.339 3.333 -10.248 1.00 0.00 C ATOM 375 CG ARG A 27 -5.412 3.275 -11.321 1.00 0.00 C ATOM 376 CD ARG A 27 -5.474 1.905 -11.972 1.00 0.00 C ATOM 377 NE ARG A 27 -5.619 2.000 -13.422 1.00 0.00 N ATOM 378 CZ ARG A 27 -6.089 1.017 -14.183 1.00 0.00 C ATOM 379 NH1 ARG A 27 -6.459 -0.136 -13.639 1.00 0.00 N ATOM 380 NH2 ARG A 27 -6.191 1.186 -15.495 1.00 0.00 N ATOM 0 H ARG A 27 -5.398 3.498 -7.576 1.00 0.00 H new ATOM 0 HA ARG A 27 -4.815 1.359 -9.501 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -4.305 4.342 -9.837 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -3.369 3.144 -10.708 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -6.380 3.515 -10.882 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -5.210 4.031 -12.080 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -4.568 1.348 -11.733 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -6.312 1.344 -11.559 1.00 0.00 H new ATOM 0 HE ARG A 27 -5.344 2.871 -13.877 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -6.383 -0.272 -12.631 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -6.819 -0.886 -14.229 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -5.909 2.070 -15.919 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -6.552 0.432 -16.080 1.00 0.00 H new ATOM 394 N LEU A 28 -3.336 2.225 -6.994 1.00 0.00 N ATOM 395 CA LEU A 28 -2.154 2.126 -6.140 1.00 0.00 C ATOM 396 C LEU A 28 -1.607 0.708 -6.063 1.00 0.00 C ATOM 397 O LEU A 28 -0.403 0.492 -6.197 1.00 0.00 O ATOM 398 CB LEU A 28 -2.486 2.609 -4.736 1.00 0.00 C ATOM 399 CG LEU A 28 -2.141 4.066 -4.463 1.00 0.00 C ATOM 400 CD1 LEU A 28 -3.149 4.663 -3.496 1.00 0.00 C ATOM 401 CD2 LEU A 28 -0.719 4.190 -3.929 1.00 0.00 C ATOM 0 H LEU A 28 -4.217 2.308 -6.487 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.385 2.756 -6.588 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.552 2.464 -4.560 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.956 1.984 -4.017 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.191 4.625 -5.398 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.896 5.706 -3.305 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.147 4.605 -3.929 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.128 4.107 -2.559 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.491 5.239 -3.740 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.629 3.626 -3.001 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.018 3.793 -4.664 1.00 0.00 H new ATOM 413 N PHE A 29 -2.490 -0.257 -5.839 1.00 0.00 N ATOM 414 CA PHE A 29 -2.081 -1.650 -5.734 1.00 0.00 C ATOM 415 C PHE A 29 -1.163 -2.042 -6.891 1.00 0.00 C ATOM 416 O PHE A 29 -0.109 -2.631 -6.676 1.00 0.00 O ATOM 417 CB PHE A 29 -3.311 -2.555 -5.691 1.00 0.00 C ATOM 418 CG PHE A 29 -3.150 -3.821 -4.882 1.00 0.00 C ATOM 419 CD1 PHE A 29 -2.173 -3.956 -3.896 1.00 0.00 C ATOM 420 CD2 PHE A 29 -3.994 -4.893 -5.121 1.00 0.00 C ATOM 421 CE1 PHE A 29 -2.062 -5.140 -3.180 1.00 0.00 C ATOM 422 CE2 PHE A 29 -3.884 -6.065 -4.411 1.00 0.00 C ATOM 423 CZ PHE A 29 -2.918 -6.192 -3.439 1.00 0.00 C ATOM 0 H PHE A 29 -3.492 -0.100 -5.727 1.00 0.00 H new ATOM 0 HA PHE A 29 -1.520 -1.775 -4.808 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -4.147 -1.986 -5.283 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -3.578 -2.827 -6.712 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -1.501 -3.137 -3.689 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.755 -4.806 -5.882 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -1.303 -5.239 -2.418 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.555 -6.886 -4.616 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.830 -7.112 -2.880 1.00 0.00 H new ATOM 433 N PRO A 30 -1.542 -1.703 -8.135 1.00 0.00 N ATOM 434 CA PRO A 30 -0.732 -2.014 -9.317 1.00 0.00 C ATOM 435 C PRO A 30 0.657 -1.383 -9.239 1.00 0.00 C ATOM 436 O PRO A 30 1.662 -2.028 -9.535 1.00 0.00 O ATOM 437 CB PRO A 30 -1.519 -1.407 -10.484 1.00 0.00 C ATOM 438 CG PRO A 30 -2.897 -1.169 -9.966 1.00 0.00 C ATOM 439 CD PRO A 30 -2.775 -0.982 -8.481 1.00 0.00 C ATOM 0 HA PRO A 30 -0.568 -3.087 -9.418 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -1.062 -0.477 -10.821 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -1.534 -2.083 -11.339 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -3.338 -0.288 -10.432 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -3.548 -2.012 -10.197 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -2.709 0.073 -8.215 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -3.638 -1.390 -7.955 1.00 0.00 H new ATOM 447 N LEU A 31 0.698 -0.112 -8.858 1.00 0.00 N ATOM 448 CA LEU A 31 1.964 0.619 -8.759 1.00 0.00 C ATOM 449 C LEU A 31 2.797 0.127 -7.584 1.00 0.00 C ATOM 450 O LEU A 31 4.009 -0.110 -7.699 1.00 0.00 O ATOM 451 CB LEU A 31 1.692 2.112 -8.613 1.00 0.00 C ATOM 452 CG LEU A 31 0.650 2.659 -9.582 1.00 0.00 C ATOM 453 CD1 LEU A 31 0.081 3.977 -9.077 1.00 0.00 C ATOM 454 CD2 LEU A 31 1.264 2.825 -10.961 1.00 0.00 C ATOM 0 H LEU A 31 -0.126 0.436 -8.612 1.00 0.00 H new ATOM 0 HA LEU A 31 2.530 0.439 -9.673 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.362 2.311 -7.593 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.626 2.655 -8.758 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.173 1.948 -9.651 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.660 4.348 -9.785 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.390 3.822 -8.106 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.885 4.706 -8.978 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.514 3.216 -11.649 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.102 3.520 -10.905 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.617 1.859 -11.321 1.00 0.00 H new ATOM 466 N ILE A 32 2.139 -0.049 -6.458 1.00 0.00 N ATOM 467 CA ILE A 32 2.812 -0.529 -5.272 1.00 0.00 C ATOM 468 C ILE A 32 3.258 -1.965 -5.503 1.00 0.00 C ATOM 469 O ILE A 32 4.377 -2.332 -5.165 1.00 0.00 O ATOM 470 CB ILE A 32 1.895 -0.431 -4.043 1.00 0.00 C ATOM 471 CG1 ILE A 32 2.685 -0.632 -2.747 1.00 0.00 C ATOM 472 CG2 ILE A 32 0.768 -1.436 -4.151 1.00 0.00 C ATOM 473 CD1 ILE A 32 3.351 -1.981 -2.638 1.00 0.00 C ATOM 0 H ILE A 32 1.142 0.133 -6.340 1.00 0.00 H new ATOM 0 HA ILE A 32 3.685 0.093 -5.076 1.00 0.00 H new ATOM 0 HB ILE A 32 1.466 0.570 -4.014 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.446 0.145 -2.673 1.00 0.00 H new ATOM 0 HG13 ILE A 32 2.012 -0.501 -1.899 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.125 -1.357 -3.274 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.184 -1.233 -5.049 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.182 -2.443 -4.208 1.00 0.00 H new ATOM 0 HD11 ILE A 32 3.890 -2.045 -1.693 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.594 -2.765 -2.678 1.00 0.00 H new ATOM 0 HD13 ILE A 32 4.050 -2.109 -3.464 1.00 0.00 H new ATOM 485 N GLN A 33 2.390 -2.767 -6.116 1.00 0.00 N ATOM 486 CA GLN A 33 2.730 -4.153 -6.417 1.00 0.00 C ATOM 487 C GLN A 33 4.122 -4.217 -7.040 1.00 0.00 C ATOM 488 O GLN A 33 4.933 -5.082 -6.707 1.00 0.00 O ATOM 489 CB GLN A 33 1.712 -4.773 -7.378 1.00 0.00 C ATOM 490 CG GLN A 33 1.584 -6.281 -7.232 1.00 0.00 C ATOM 491 CD GLN A 33 1.596 -7.004 -8.566 1.00 0.00 C ATOM 492 OE1 GLN A 33 1.212 -6.444 -9.592 1.00 0.00 O ATOM 493 NE2 GLN A 33 2.037 -8.257 -8.558 1.00 0.00 N ATOM 0 H GLN A 33 1.456 -2.484 -6.411 1.00 0.00 H new ATOM 0 HA GLN A 33 2.714 -4.719 -5.485 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.738 -4.315 -7.208 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.001 -4.538 -8.402 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.402 -6.652 -6.615 1.00 0.00 H new ATOM 0 HG3 GLN A 33 0.658 -6.513 -6.706 1.00 0.00 H new ATOM 0 HE21 GLN A 33 2.346 -8.683 -7.684 1.00 0.00 H new ATOM 0 HE22 GLN A 33 2.066 -8.793 -9.425 1.00 0.00 H new ATOM 502 N ALA A 34 4.381 -3.284 -7.956 1.00 0.00 N ATOM 503 CA ALA A 34 5.664 -3.205 -8.647 1.00 0.00 C ATOM 504 C ALA A 34 6.816 -3.034 -7.671 1.00 0.00 C ATOM 505 O ALA A 34 7.924 -3.519 -7.904 1.00 0.00 O ATOM 506 CB ALA A 34 5.652 -2.062 -9.651 1.00 0.00 C ATOM 0 H ALA A 34 3.712 -2.567 -8.237 1.00 0.00 H new ATOM 0 HA ALA A 34 5.814 -4.146 -9.177 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.615 -2.014 -10.159 1.00 0.00 H new ATOM 0 HB2 ALA A 34 4.863 -2.230 -10.384 1.00 0.00 H new ATOM 0 HB3 ALA A 34 5.470 -1.122 -9.130 1.00 0.00 H new ATOM 512 N MET A 35 6.547 -2.338 -6.583 1.00 0.00 N ATOM 513 CA MET A 35 7.570 -2.090 -5.562 1.00 0.00 C ATOM 514 C MET A 35 7.431 -3.058 -4.385 1.00 0.00 C ATOM 515 O MET A 35 8.387 -3.748 -4.023 1.00 0.00 O ATOM 516 CB MET A 35 7.481 -0.649 -5.064 1.00 0.00 C ATOM 517 CG MET A 35 7.329 0.371 -6.182 1.00 0.00 C ATOM 518 SD MET A 35 8.029 1.977 -5.759 1.00 0.00 S ATOM 519 CE MET A 35 9.765 1.685 -6.081 1.00 0.00 C ATOM 0 H MET A 35 5.635 -1.932 -6.376 1.00 0.00 H new ATOM 0 HA MET A 35 8.545 -2.253 -6.021 1.00 0.00 H new ATOM 0 HB2 MET A 35 6.634 -0.560 -4.384 1.00 0.00 H new ATOM 0 HB3 MET A 35 8.377 -0.416 -4.489 1.00 0.00 H new ATOM 0 HG2 MET A 35 7.815 -0.007 -7.081 1.00 0.00 H new ATOM 0 HG3 MET A 35 6.272 0.491 -6.417 1.00 0.00 H new ATOM 0 HE1 MET A 35 10.272 2.638 -6.232 1.00 0.00 H new ATOM 0 HE2 MET A 35 10.211 1.167 -5.232 1.00 0.00 H new ATOM 0 HE3 MET A 35 9.871 1.072 -6.976 1.00 0.00 H new ATOM 529 N HIS A 36 6.237 -3.128 -3.812 1.00 0.00 N ATOM 530 CA HIS A 36 5.969 -4.037 -2.701 1.00 0.00 C ATOM 531 C HIS A 36 6.908 -3.812 -1.517 1.00 0.00 C ATOM 532 O HIS A 36 7.468 -4.767 -0.977 1.00 0.00 O ATOM 533 CB HIS A 36 6.097 -5.490 -3.167 1.00 0.00 C ATOM 534 CG HIS A 36 4.802 -6.093 -3.598 1.00 0.00 C ATOM 535 ND1 HIS A 36 3.554 -5.587 -3.581 1.00 0.00 N flip ATOM 536 CD2 HIS A 36 4.691 -7.365 -4.117 1.00 0.00 C flip ATOM 537 CE1 HIS A 36 2.713 -6.550 -4.081 1.00 0.00 C flip ATOM 538 NE2 HIS A 36 3.424 -7.614 -4.399 1.00 0.00 N flip ATOM 0 H HIS A 36 5.436 -2.565 -4.098 1.00 0.00 H new ATOM 0 HA HIS A 36 4.952 -3.830 -2.366 1.00 0.00 H new ATOM 0 HB2 HIS A 36 6.804 -5.537 -3.995 1.00 0.00 H new ATOM 0 HB3 HIS A 36 6.515 -6.088 -2.357 1.00 0.00 H new ATOM 0 HD2 HIS A 36 5.511 -8.051 -4.269 1.00 0.00 H new ATOM 0 HE1 HIS A 36 1.644 -6.452 -4.195 1.00 0.00 H new ATOM 0 HE2 HIS A 36 3.059 -8.480 -4.795 1.00 0.00 H new ATOM 546 N PRO A 37 7.084 -2.563 -1.063 1.00 0.00 N ATOM 547 CA PRO A 37 7.942 -2.296 0.078 1.00 0.00 C ATOM 548 C PRO A 37 7.373 -2.933 1.339 1.00 0.00 C ATOM 549 O PRO A 37 7.910 -3.918 1.843 1.00 0.00 O ATOM 550 CB PRO A 37 7.965 -0.770 0.192 1.00 0.00 C ATOM 551 CG PRO A 37 6.781 -0.287 -0.578 1.00 0.00 C ATOM 552 CD PRO A 37 6.452 -1.346 -1.595 1.00 0.00 C ATOM 0 HA PRO A 37 8.942 -2.712 -0.045 1.00 0.00 H new ATOM 0 HB2 PRO A 37 7.909 -0.455 1.234 1.00 0.00 H new ATOM 0 HB3 PRO A 37 8.890 -0.361 -0.215 1.00 0.00 H new ATOM 0 HG2 PRO A 37 5.934 -0.114 0.086 1.00 0.00 H new ATOM 0 HG3 PRO A 37 7.001 0.662 -1.067 1.00 0.00 H new ATOM 0 HD2 PRO A 37 5.375 -1.472 -1.705 1.00 0.00 H new ATOM 0 HD3 PRO A 37 6.845 -1.090 -2.579 1.00 0.00 H new ATOM 560 N THR A 38 6.295 -2.353 1.854 1.00 0.00 N ATOM 561 CA THR A 38 5.664 -2.855 3.074 1.00 0.00 C ATOM 562 C THR A 38 4.467 -3.747 2.762 1.00 0.00 C ATOM 563 O THR A 38 4.415 -4.900 3.189 1.00 0.00 O ATOM 564 CB THR A 38 5.223 -1.693 3.974 1.00 0.00 C ATOM 565 OG1 THR A 38 3.973 -1.173 3.549 1.00 0.00 O ATOM 566 CG2 THR A 38 6.212 -0.543 4.016 1.00 0.00 C ATOM 0 H THR A 38 5.839 -1.536 1.448 1.00 0.00 H new ATOM 0 HA THR A 38 6.408 -3.454 3.599 1.00 0.00 H new ATOM 0 HB THR A 38 5.155 -2.121 4.974 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.709 -0.435 4.137 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.832 0.240 4.672 1.00 0.00 H new ATOM 0 HG22 THR A 38 7.170 -0.900 4.395 1.00 0.00 H new ATOM 0 HG23 THR A 38 6.346 -0.142 3.012 1.00 0.00 H new ATOM 574 N LEU A 39 3.497 -3.208 2.027 1.00 0.00 N ATOM 575 CA LEU A 39 2.299 -3.968 1.680 1.00 0.00 C ATOM 576 C LEU A 39 1.469 -3.254 0.619 1.00 0.00 C ATOM 577 O LEU A 39 0.848 -2.227 0.889 1.00 0.00 O ATOM 578 CB LEU A 39 1.448 -4.202 2.931 1.00 0.00 C ATOM 579 CG LEU A 39 0.942 -5.632 3.113 1.00 0.00 C ATOM 580 CD1 LEU A 39 0.361 -5.815 4.507 1.00 0.00 C ATOM 581 CD2 LEU A 39 -0.096 -5.969 2.054 1.00 0.00 C ATOM 0 H LEU A 39 3.516 -2.255 1.663 1.00 0.00 H new ATOM 0 HA LEU A 39 2.620 -4.925 1.269 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.035 -3.927 3.807 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.590 -3.531 2.898 1.00 0.00 H new ATOM 0 HG LEU A 39 1.784 -6.314 2.997 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.005 -6.839 4.621 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.131 -5.614 5.252 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.470 -5.124 4.648 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.445 -6.991 2.199 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.938 -5.282 2.139 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.350 -5.875 1.064 1.00 0.00 H new ATOM 593 N ALA A 40 1.448 -3.814 -0.583 1.00 0.00 N ATOM 594 CA ALA A 40 0.681 -3.257 -1.700 1.00 0.00 C ATOM 595 C ALA A 40 -0.765 -2.954 -1.317 1.00 0.00 C ATOM 596 O ALA A 40 -1.268 -1.861 -1.584 1.00 0.00 O ATOM 597 CB ALA A 40 0.764 -4.214 -2.884 1.00 0.00 C ATOM 0 H ALA A 40 1.959 -4.665 -0.816 1.00 0.00 H new ATOM 0 HA ALA A 40 1.118 -2.299 -1.980 1.00 0.00 H new ATOM 0 HB1 ALA A 40 0.196 -3.808 -3.721 1.00 0.00 H new ATOM 0 HB2 ALA A 40 1.806 -4.338 -3.179 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.350 -5.181 -2.600 1.00 0.00 H new ATOM 603 N GLY A 41 -1.439 -3.918 -0.709 1.00 0.00 N ATOM 604 CA GLY A 41 -2.826 -3.721 -0.330 1.00 0.00 C ATOM 605 C GLY A 41 -3.027 -2.604 0.679 1.00 0.00 C ATOM 606 O GLY A 41 -3.937 -1.787 0.534 1.00 0.00 O ATOM 0 H GLY A 41 -1.053 -4.832 -0.471 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -3.411 -3.502 -1.223 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -3.216 -4.650 0.086 1.00 0.00 H new ATOM 610 N LYS A 42 -2.197 -2.578 1.714 1.00 0.00 N ATOM 611 CA LYS A 42 -2.322 -1.565 2.759 1.00 0.00 C ATOM 612 C LYS A 42 -1.747 -0.213 2.329 1.00 0.00 C ATOM 613 O LYS A 42 -2.341 0.830 2.603 1.00 0.00 O ATOM 614 CB LYS A 42 -1.654 -2.041 4.050 1.00 0.00 C ATOM 615 CG LYS A 42 -2.638 -2.239 5.194 1.00 0.00 C ATOM 616 CD LYS A 42 -3.108 -0.908 5.760 1.00 0.00 C ATOM 617 CE LYS A 42 -4.514 -0.560 5.294 1.00 0.00 C ATOM 618 NZ LYS A 42 -5.529 -1.520 5.808 1.00 0.00 N ATOM 0 H LYS A 42 -1.434 -3.241 1.854 1.00 0.00 H new ATOM 0 HA LYS A 42 -3.387 -1.421 2.940 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -1.135 -2.980 3.858 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -0.899 -1.315 4.350 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -3.497 -2.810 4.842 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -2.167 -2.826 5.983 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -3.086 -0.948 6.849 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -2.419 -0.120 5.456 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -4.767 0.447 5.627 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -4.543 -0.552 4.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -5.950 -2.039 5.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -5.073 -2.192 6.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -6.274 -1.000 6.315 1.00 0.00 H new ATOM 632 N ILE A 43 -0.599 -0.223 1.653 1.00 0.00 N ATOM 633 CA ILE A 43 0.017 1.023 1.201 1.00 0.00 C ATOM 634 C ILE A 43 -0.980 1.855 0.400 1.00 0.00 C ATOM 635 O ILE A 43 -1.017 3.081 0.504 1.00 0.00 O ATOM 636 CB ILE A 43 1.293 0.758 0.362 1.00 0.00 C ATOM 637 CG1 ILE A 43 2.513 1.284 1.110 1.00 0.00 C ATOM 638 CG2 ILE A 43 1.218 1.386 -1.030 1.00 0.00 C ATOM 639 CD1 ILE A 43 3.729 0.408 0.967 1.00 0.00 C ATOM 0 H ILE A 43 -0.083 -1.068 1.409 1.00 0.00 H new ATOM 0 HA ILE A 43 0.312 1.583 2.088 1.00 0.00 H new ATOM 0 HB ILE A 43 1.377 -0.320 0.221 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.750 2.283 0.745 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.267 1.381 2.167 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.136 1.171 -1.576 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.368 0.971 -1.571 1.00 0.00 H new ATOM 0 HG23 ILE A 43 1.096 2.465 -0.936 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.558 0.843 1.525 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.510 -0.585 1.359 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.000 0.331 -0.086 1.00 0.00 H new ATOM 651 N THR A 44 -1.777 1.164 -0.400 1.00 0.00 N ATOM 652 CA THR A 44 -2.779 1.807 -1.236 1.00 0.00 C ATOM 653 C THR A 44 -3.777 2.612 -0.405 1.00 0.00 C ATOM 654 O THR A 44 -4.074 3.760 -0.728 1.00 0.00 O ATOM 655 CB THR A 44 -3.514 0.744 -2.061 1.00 0.00 C ATOM 656 OG1 THR A 44 -2.640 0.149 -3.002 1.00 0.00 O ATOM 657 CG2 THR A 44 -4.708 1.278 -2.823 1.00 0.00 C ATOM 0 H THR A 44 -1.748 0.148 -0.488 1.00 0.00 H new ATOM 0 HA THR A 44 -2.270 2.505 -1.901 1.00 0.00 H new ATOM 0 HB THR A 44 -3.871 0.018 -1.330 1.00 0.00 H new ATOM 0 HG1 THR A 44 -2.127 -0.564 -2.567 1.00 0.00 H new ATOM 0 HG21 THR A 44 -5.175 0.467 -3.382 1.00 0.00 H new ATOM 0 HG22 THR A 44 -5.429 1.698 -2.122 1.00 0.00 H new ATOM 0 HG23 THR A 44 -4.381 2.054 -3.515 1.00 0.00 H new ATOM 665 N GLY A 45 -4.289 2.015 0.666 1.00 0.00 N ATOM 666 CA GLY A 45 -5.250 2.707 1.508 1.00 0.00 C ATOM 667 C GLY A 45 -4.732 4.029 2.016 1.00 0.00 C ATOM 668 O GLY A 45 -5.500 4.961 2.252 1.00 0.00 O ATOM 0 H GLY A 45 -4.058 1.068 0.966 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.168 2.873 0.944 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -5.508 2.072 2.356 1.00 0.00 H new ATOM 672 N MET A 46 -3.426 4.104 2.188 1.00 0.00 N ATOM 673 CA MET A 46 -2.790 5.309 2.676 1.00 0.00 C ATOM 674 C MET A 46 -2.698 6.367 1.582 1.00 0.00 C ATOM 675 O MET A 46 -3.221 7.471 1.736 1.00 0.00 O ATOM 676 CB MET A 46 -1.411 4.970 3.212 1.00 0.00 C ATOM 677 CG MET A 46 -1.431 4.387 4.616 1.00 0.00 C ATOM 678 SD MET A 46 -2.290 2.804 4.704 1.00 0.00 S ATOM 679 CE MET A 46 -1.321 1.966 5.957 1.00 0.00 C ATOM 0 H MET A 46 -2.782 3.337 1.995 1.00 0.00 H new ATOM 0 HA MET A 46 -3.397 5.724 3.480 1.00 0.00 H new ATOM 0 HB2 MET A 46 -0.933 4.258 2.539 1.00 0.00 H new ATOM 0 HB3 MET A 46 -0.798 5.871 3.210 1.00 0.00 H new ATOM 0 HG2 MET A 46 -0.407 4.259 4.966 1.00 0.00 H new ATOM 0 HG3 MET A 46 -1.912 5.094 5.291 1.00 0.00 H new ATOM 0 HE1 MET A 46 -0.777 1.138 5.503 1.00 0.00 H new ATOM 0 HE2 MET A 46 -0.612 2.667 6.398 1.00 0.00 H new ATOM 0 HE3 MET A 46 -1.983 1.583 6.733 1.00 0.00 H new ATOM 689 N LEU A 47 -2.013 6.043 0.483 1.00 0.00 N ATOM 690 CA LEU A 47 -1.850 7.000 -0.603 1.00 0.00 C ATOM 691 C LEU A 47 -3.209 7.444 -1.120 1.00 0.00 C ATOM 692 O LEU A 47 -3.319 8.498 -1.748 1.00 0.00 O ATOM 693 CB LEU A 47 -1.014 6.410 -1.751 1.00 0.00 C ATOM 694 CG LEU A 47 0.449 6.049 -1.442 1.00 0.00 C ATOM 695 CD1 LEU A 47 1.409 7.018 -2.127 1.00 0.00 C ATOM 696 CD2 LEU A 47 0.719 5.994 0.055 1.00 0.00 C ATOM 0 H LEU A 47 -1.570 5.138 0.326 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.316 7.865 -0.209 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.516 5.510 -2.107 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.019 7.124 -2.574 1.00 0.00 H new ATOM 0 HG LEU A 47 0.623 5.050 -1.842 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.436 6.740 -1.892 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.260 6.976 -3.206 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.217 8.031 -1.773 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.764 5.736 0.227 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.508 6.967 0.499 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.079 5.240 0.513 1.00 0.00 H new ATOM 708 N LEU A 48 -4.246 6.631 -0.883 1.00 0.00 N ATOM 709 CA LEU A 48 -5.604 6.944 -1.351 1.00 0.00 C ATOM 710 C LEU A 48 -6.108 8.306 -0.857 1.00 0.00 C ATOM 711 O LEU A 48 -7.304 8.586 -0.923 1.00 0.00 O ATOM 712 CB LEU A 48 -6.578 5.841 -0.909 1.00 0.00 C ATOM 713 CG LEU A 48 -7.275 5.098 -2.052 1.00 0.00 C ATOM 714 CD1 LEU A 48 -6.279 4.231 -2.801 1.00 0.00 C ATOM 715 CD2 LEU A 48 -8.430 4.248 -1.535 1.00 0.00 C ATOM 0 H LEU A 48 -4.172 5.752 -0.371 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.559 6.994 -2.439 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.033 5.117 -0.304 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.339 6.285 -0.267 1.00 0.00 H new ATOM 0 HG LEU A 48 -7.684 5.841 -2.736 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.788 3.709 -3.611 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.489 4.858 -3.214 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.844 3.503 -2.117 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -8.905 3.733 -2.370 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.052 3.514 -0.824 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -9.161 4.889 -1.041 1.00 0.00 H new ATOM 727 N GLU A 49 -5.202 9.154 -0.379 1.00 0.00 N ATOM 728 CA GLU A 49 -5.569 10.477 0.100 1.00 0.00 C ATOM 729 C GLU A 49 -5.884 11.408 -1.072 1.00 0.00 C ATOM 730 O GLU A 49 -6.345 12.531 -0.874 1.00 0.00 O ATOM 731 CB GLU A 49 -4.431 11.066 0.939 1.00 0.00 C ATOM 732 CG GLU A 49 -3.109 11.172 0.189 1.00 0.00 C ATOM 733 CD GLU A 49 -2.979 12.466 -0.590 1.00 0.00 C ATOM 734 OE1 GLU A 49 -3.592 13.473 -0.178 1.00 0.00 O ATOM 735 OE2 GLU A 49 -2.265 12.471 -1.616 1.00 0.00 O ATOM 0 H GLU A 49 -4.206 8.945 -0.314 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.461 10.383 0.719 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.722 12.057 1.286 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -4.287 10.448 1.825 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.286 11.097 0.900 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.017 10.330 -0.496 1.00 0.00 H new ATOM 742 N ILE A 50 -5.625 10.936 -2.292 1.00 0.00 N ATOM 743 CA ILE A 50 -5.876 11.730 -3.488 1.00 0.00 C ATOM 744 C ILE A 50 -7.072 11.185 -4.282 1.00 0.00 C ATOM 745 O ILE A 50 -7.610 10.126 -3.960 1.00 0.00 O ATOM 746 CB ILE A 50 -4.606 11.797 -4.377 1.00 0.00 C ATOM 747 CG1 ILE A 50 -4.563 13.094 -5.201 1.00 0.00 C ATOM 748 CG2 ILE A 50 -4.511 10.583 -5.293 1.00 0.00 C ATOM 749 CD1 ILE A 50 -5.078 14.320 -4.473 1.00 0.00 C ATOM 0 H ILE A 50 -5.242 10.008 -2.474 1.00 0.00 H new ATOM 0 HA ILE A 50 -6.126 12.742 -3.170 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.744 11.792 -3.709 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -3.535 13.277 -5.512 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -5.150 12.953 -6.108 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -3.611 10.658 -5.904 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -4.467 9.675 -4.691 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -5.387 10.546 -5.940 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -5.011 15.188 -5.129 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -6.117 14.162 -4.185 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -4.477 14.492 -3.580 1.00 0.00 H new ATOM 761 N ASP A 51 -7.463 11.906 -5.333 1.00 0.00 N ATOM 762 CA ASP A 51 -8.569 11.502 -6.197 1.00 0.00 C ATOM 763 C ASP A 51 -8.178 10.341 -7.110 1.00 0.00 C ATOM 764 O ASP A 51 -7.034 10.261 -7.560 1.00 0.00 O ATOM 765 CB ASP A 51 -9.034 12.690 -7.039 1.00 0.00 C ATOM 766 CG ASP A 51 -10.446 12.511 -7.562 1.00 0.00 C ATOM 767 OD1 ASP A 51 -11.398 12.839 -6.824 1.00 0.00 O ATOM 768 OD2 ASP A 51 -10.599 12.042 -8.709 1.00 0.00 O ATOM 0 H ASP A 51 -7.022 12.784 -5.608 1.00 0.00 H new ATOM 0 HA ASP A 51 -9.384 11.164 -5.557 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -8.984 13.599 -6.439 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -8.353 12.825 -7.879 1.00 0.00 H new ATOM 773 N ASN A 52 -9.132 9.459 -7.410 1.00 0.00 N ATOM 774 CA ASN A 52 -8.868 8.326 -8.300 1.00 0.00 C ATOM 775 C ASN A 52 -8.160 8.788 -9.580 1.00 0.00 C ATOM 776 O ASN A 52 -7.465 8.009 -10.237 1.00 0.00 O ATOM 777 CB ASN A 52 -10.173 7.614 -8.677 1.00 0.00 C ATOM 778 CG ASN A 52 -9.923 6.239 -9.281 1.00 0.00 C ATOM 779 OD1 ASN A 52 -10.994 5.501 -9.570 1.00 0.00 O flip ATOM 780 ND2 ASN A 52 -8.774 5.845 -9.489 1.00 0.00 N flip ATOM 0 H ASN A 52 -10.087 9.505 -7.054 1.00 0.00 H new ATOM 0 HA ASN A 52 -8.221 7.632 -7.763 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -10.798 7.511 -7.790 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -10.727 8.226 -9.388 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -7.980 6.441 -9.254 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -8.617 4.923 -9.897 1.00 0.00 H new ATOM 787 N SER A 53 -8.363 10.055 -9.939 1.00 0.00 N ATOM 788 CA SER A 53 -7.776 10.617 -11.157 1.00 0.00 C ATOM 789 C SER A 53 -6.270 10.833 -11.041 1.00 0.00 C ATOM 790 O SER A 53 -5.564 10.858 -12.050 1.00 0.00 O ATOM 791 CB SER A 53 -8.458 11.941 -11.505 1.00 0.00 C ATOM 792 OG SER A 53 -8.328 12.876 -10.447 1.00 0.00 O ATOM 0 H SER A 53 -8.930 10.713 -9.404 1.00 0.00 H new ATOM 0 HA SER A 53 -7.940 9.889 -11.952 1.00 0.00 H new ATOM 0 HB2 SER A 53 -8.018 12.352 -12.414 1.00 0.00 H new ATOM 0 HB3 SER A 53 -9.514 11.766 -11.712 1.00 0.00 H new ATOM 0 HG SER A 53 -9.109 12.814 -9.858 1.00 0.00 H new ATOM 798 N GLU A 54 -5.775 11.003 -9.822 1.00 0.00 N ATOM 799 CA GLU A 54 -4.349 11.229 -9.618 1.00 0.00 C ATOM 800 C GLU A 54 -3.557 9.939 -9.792 1.00 0.00 C ATOM 801 O GLU A 54 -2.485 9.936 -10.393 1.00 0.00 O ATOM 802 CB GLU A 54 -4.096 11.823 -8.230 1.00 0.00 C ATOM 803 CG GLU A 54 -3.421 13.183 -8.272 1.00 0.00 C ATOM 804 CD GLU A 54 -1.912 13.081 -8.360 1.00 0.00 C ATOM 805 OE1 GLU A 54 -1.399 12.790 -9.461 1.00 0.00 O ATOM 806 OE2 GLU A 54 -1.240 13.295 -7.328 1.00 0.00 O ATOM 0 H GLU A 54 -6.332 10.989 -8.968 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.010 11.939 -10.373 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -5.046 11.913 -7.702 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -3.476 11.135 -7.656 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.794 13.744 -9.129 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -3.692 13.747 -7.380 1.00 0.00 H new ATOM 813 N LEU A 55 -4.095 8.846 -9.270 1.00 0.00 N ATOM 814 CA LEU A 55 -3.441 7.549 -9.372 1.00 0.00 C ATOM 815 C LEU A 55 -3.329 7.116 -10.827 1.00 0.00 C ATOM 816 O LEU A 55 -2.373 6.443 -11.210 1.00 0.00 O ATOM 817 CB LEU A 55 -4.203 6.509 -8.553 1.00 0.00 C ATOM 818 CG LEU A 55 -4.615 6.983 -7.158 1.00 0.00 C ATOM 819 CD1 LEU A 55 -6.063 7.424 -7.155 1.00 0.00 C ATOM 820 CD2 LEU A 55 -4.389 5.889 -6.128 1.00 0.00 C ATOM 0 H LEU A 55 -4.984 8.832 -8.771 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.432 7.635 -8.969 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.097 6.215 -9.103 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.583 5.618 -8.453 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.992 7.837 -6.890 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.340 7.758 -6.155 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.195 8.244 -7.861 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.699 6.588 -7.447 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.689 6.248 -5.144 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.983 5.013 -6.391 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.333 5.619 -6.110 1.00 0.00 H new ATOM 832 N LEU A 56 -4.294 7.524 -11.641 1.00 0.00 N ATOM 833 CA LEU A 56 -4.270 7.189 -13.058 1.00 0.00 C ATOM 834 C LEU A 56 -3.100 7.894 -13.737 1.00 0.00 C ATOM 835 O LEU A 56 -2.452 7.338 -14.626 1.00 0.00 O ATOM 836 CB LEU A 56 -5.585 7.594 -13.727 1.00 0.00 C ATOM 837 CG LEU A 56 -6.838 6.932 -13.151 1.00 0.00 C ATOM 838 CD1 LEU A 56 -8.091 7.666 -13.610 1.00 0.00 C ATOM 839 CD2 LEU A 56 -6.900 5.462 -13.550 1.00 0.00 C ATOM 0 H LEU A 56 -5.096 8.082 -11.348 1.00 0.00 H new ATOM 0 HA LEU A 56 -4.147 6.111 -13.160 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -5.696 8.676 -13.649 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -5.523 7.356 -14.789 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.787 6.989 -12.064 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.972 7.180 -13.190 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -8.051 8.701 -13.271 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.148 7.643 -14.698 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -7.798 5.009 -13.131 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.926 5.381 -14.637 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.020 4.944 -13.168 1.00 0.00 H new ATOM 851 N HIS A 57 -2.835 9.123 -13.302 1.00 0.00 N ATOM 852 CA HIS A 57 -1.744 9.920 -13.854 1.00 0.00 C ATOM 853 C HIS A 57 -0.388 9.301 -13.526 1.00 0.00 C ATOM 854 O HIS A 57 0.454 9.127 -14.408 1.00 0.00 O ATOM 855 CB HIS A 57 -1.808 11.351 -13.322 1.00 0.00 C ATOM 856 CG HIS A 57 -2.376 12.330 -14.302 1.00 0.00 C ATOM 857 ND1 HIS A 57 -1.753 12.655 -15.489 1.00 0.00 N ATOM 858 CD2 HIS A 57 -3.520 13.056 -14.270 1.00 0.00 C ATOM 859 CE1 HIS A 57 -2.486 13.537 -16.145 1.00 0.00 C ATOM 860 NE2 HIS A 57 -3.563 13.797 -15.427 1.00 0.00 N ATOM 0 H HIS A 57 -3.364 9.590 -12.565 1.00 0.00 H new ATOM 0 HA HIS A 57 -1.858 9.937 -14.938 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -2.412 11.366 -12.415 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -0.804 11.671 -13.042 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -4.259 13.053 -13.483 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -2.245 13.971 -17.104 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -4.307 14.444 -15.689 1.00 0.00 H new ATOM 868 N MET A 58 -0.179 8.964 -12.256 1.00 0.00 N ATOM 869 CA MET A 58 1.080 8.359 -11.832 1.00 0.00 C ATOM 870 C MET A 58 1.246 6.981 -12.458 1.00 0.00 C ATOM 871 O MET A 58 2.352 6.572 -12.806 1.00 0.00 O ATOM 872 CB MET A 58 1.166 8.251 -10.302 1.00 0.00 C ATOM 873 CG MET A 58 -0.151 7.955 -9.608 1.00 0.00 C ATOM 874 SD MET A 58 0.073 7.498 -7.877 1.00 0.00 S ATOM 875 CE MET A 58 -1.204 8.479 -7.091 1.00 0.00 C ATOM 0 H MET A 58 -0.859 9.098 -11.508 1.00 0.00 H new ATOM 0 HA MET A 58 1.887 9.008 -12.173 1.00 0.00 H new ATOM 0 HB2 MET A 58 1.879 7.467 -10.047 1.00 0.00 H new ATOM 0 HB3 MET A 58 1.566 9.185 -9.908 1.00 0.00 H new ATOM 0 HG2 MET A 58 -0.796 8.831 -9.669 1.00 0.00 H new ATOM 0 HG3 MET A 58 -0.661 7.146 -10.132 1.00 0.00 H new ATOM 0 HE1 MET A 58 -0.856 8.813 -6.114 1.00 0.00 H new ATOM 0 HE2 MET A 58 -1.431 9.346 -7.712 1.00 0.00 H new ATOM 0 HE3 MET A 58 -2.103 7.875 -6.969 1.00 0.00 H new ATOM 885 N LEU A 59 0.137 6.263 -12.590 1.00 0.00 N ATOM 886 CA LEU A 59 0.167 4.923 -13.159 1.00 0.00 C ATOM 887 C LEU A 59 0.698 4.940 -14.589 1.00 0.00 C ATOM 888 O LEU A 59 1.249 3.948 -15.065 1.00 0.00 O ATOM 889 CB LEU A 59 -1.224 4.290 -13.103 1.00 0.00 C ATOM 890 CG LEU A 59 -1.387 3.005 -13.919 1.00 0.00 C ATOM 891 CD1 LEU A 59 -1.963 1.888 -13.060 1.00 0.00 C ATOM 892 CD2 LEU A 59 -2.266 3.264 -15.130 1.00 0.00 C ATOM 0 H LEU A 59 -0.790 6.585 -12.312 1.00 0.00 H new ATOM 0 HA LEU A 59 0.849 4.317 -12.562 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.466 4.074 -12.062 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.953 5.020 -13.455 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.404 2.686 -14.265 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.070 0.985 -13.661 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -1.293 1.690 -12.223 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.939 2.188 -12.679 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -2.376 2.344 -15.704 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.247 3.605 -14.801 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.807 4.029 -15.756 1.00 0.00 H new ATOM 904 N GLU A 60 0.558 6.072 -15.261 1.00 0.00 N ATOM 905 CA GLU A 60 1.056 6.202 -16.623 1.00 0.00 C ATOM 906 C GLU A 60 2.407 6.919 -16.641 1.00 0.00 C ATOM 907 O GLU A 60 3.011 7.096 -17.700 1.00 0.00 O ATOM 908 CB GLU A 60 0.048 6.955 -17.488 1.00 0.00 C ATOM 909 CG GLU A 60 -1.321 6.297 -17.524 1.00 0.00 C ATOM 910 CD GLU A 60 -1.352 5.070 -18.414 1.00 0.00 C ATOM 911 OE1 GLU A 60 -0.277 4.483 -18.653 1.00 0.00 O ATOM 912 OE2 GLU A 60 -2.453 4.697 -18.871 1.00 0.00 O ATOM 0 H GLU A 60 0.107 6.908 -14.890 1.00 0.00 H new ATOM 0 HA GLU A 60 1.192 5.201 -17.033 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.055 7.973 -17.111 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.435 7.029 -18.504 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -1.612 6.015 -16.512 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -2.058 7.018 -17.879 1.00 0.00 H new ATOM 919 N SER A 61 2.876 7.328 -15.462 1.00 0.00 N ATOM 920 CA SER A 61 4.153 8.025 -15.339 1.00 0.00 C ATOM 921 C SER A 61 4.879 7.618 -14.053 1.00 0.00 C ATOM 922 O SER A 61 4.595 8.149 -12.981 1.00 0.00 O ATOM 923 CB SER A 61 3.931 9.540 -15.352 1.00 0.00 C ATOM 924 OG SER A 61 3.893 10.045 -16.677 1.00 0.00 O ATOM 0 H SER A 61 2.388 7.187 -14.577 1.00 0.00 H new ATOM 0 HA SER A 61 4.774 7.744 -16.189 1.00 0.00 H new ATOM 0 HB2 SER A 61 2.996 9.777 -14.844 1.00 0.00 H new ATOM 0 HB3 SER A 61 4.730 10.031 -14.796 1.00 0.00 H new ATOM 0 HG SER A 61 3.650 9.324 -17.295 1.00 0.00 H new ATOM 930 N PRO A 62 5.826 6.667 -14.143 1.00 0.00 N ATOM 931 CA PRO A 62 6.587 6.194 -12.978 1.00 0.00 C ATOM 932 C PRO A 62 7.236 7.333 -12.197 1.00 0.00 C ATOM 933 O PRO A 62 7.465 7.225 -10.993 1.00 0.00 O ATOM 934 CB PRO A 62 7.664 5.298 -13.593 1.00 0.00 C ATOM 935 CG PRO A 62 7.091 4.847 -14.892 1.00 0.00 C ATOM 936 CD PRO A 62 6.227 5.976 -15.384 1.00 0.00 C ATOM 0 HA PRO A 62 5.944 5.686 -12.260 1.00 0.00 H new ATOM 0 HB2 PRO A 62 8.596 5.844 -13.740 1.00 0.00 H new ATOM 0 HB3 PRO A 62 7.890 4.451 -12.946 1.00 0.00 H new ATOM 0 HG2 PRO A 62 7.881 4.621 -15.608 1.00 0.00 H new ATOM 0 HG3 PRO A 62 6.506 3.936 -14.764 1.00 0.00 H new ATOM 0 HD2 PRO A 62 6.775 6.639 -16.054 1.00 0.00 H new ATOM 0 HD3 PRO A 62 5.362 5.609 -15.937 1.00 0.00 H new ATOM 944 N GLU A 63 7.540 8.421 -12.895 1.00 0.00 N ATOM 945 CA GLU A 63 8.172 9.584 -12.278 1.00 0.00 C ATOM 946 C GLU A 63 7.331 10.126 -11.127 1.00 0.00 C ATOM 947 O GLU A 63 7.798 10.210 -9.990 1.00 0.00 O ATOM 948 CB GLU A 63 8.399 10.685 -13.318 1.00 0.00 C ATOM 949 CG GLU A 63 7.231 10.885 -14.271 1.00 0.00 C ATOM 950 CD GLU A 63 6.496 12.188 -14.034 1.00 0.00 C ATOM 951 OE1 GLU A 63 7.158 13.193 -13.702 1.00 0.00 O ATOM 952 OE2 GLU A 63 5.255 12.203 -14.180 1.00 0.00 O ATOM 0 H GLU A 63 7.358 8.523 -13.893 1.00 0.00 H new ATOM 0 HA GLU A 63 9.134 9.264 -11.879 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.598 11.624 -12.801 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.291 10.445 -13.897 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.597 10.861 -15.297 1.00 0.00 H new ATOM 0 HG3 GLU A 63 6.533 10.055 -14.162 1.00 0.00 H new ATOM 959 N SER A 64 6.091 10.486 -11.426 1.00 0.00 N ATOM 960 CA SER A 64 5.185 11.015 -10.415 1.00 0.00 C ATOM 961 C SER A 64 4.746 9.902 -9.482 1.00 0.00 C ATOM 962 O SER A 64 4.533 10.114 -8.290 1.00 0.00 O ATOM 963 CB SER A 64 3.964 11.656 -11.076 1.00 0.00 C ATOM 964 OG SER A 64 4.346 12.723 -11.926 1.00 0.00 O ATOM 0 H SER A 64 5.689 10.422 -12.361 1.00 0.00 H new ATOM 0 HA SER A 64 5.710 11.778 -9.839 1.00 0.00 H new ATOM 0 HB2 SER A 64 3.422 10.905 -11.651 1.00 0.00 H new ATOM 0 HB3 SER A 64 3.283 12.024 -10.309 1.00 0.00 H new ATOM 0 HG SER A 64 4.315 12.425 -12.859 1.00 0.00 H new ATOM 970 N LEU A 65 4.597 8.714 -10.044 1.00 0.00 N ATOM 971 CA LEU A 65 4.168 7.565 -9.272 1.00 0.00 C ATOM 972 C LEU A 65 5.113 7.306 -8.108 1.00 0.00 C ATOM 973 O LEU A 65 4.702 7.341 -6.949 1.00 0.00 O ATOM 974 CB LEU A 65 4.082 6.326 -10.167 1.00 0.00 C ATOM 975 CG LEU A 65 3.744 5.017 -9.450 1.00 0.00 C ATOM 976 CD1 LEU A 65 5.010 4.367 -8.910 1.00 0.00 C ATOM 977 CD2 LEU A 65 2.732 5.258 -8.337 1.00 0.00 C ATOM 0 H LEU A 65 4.767 8.522 -11.031 1.00 0.00 H new ATOM 0 HA LEU A 65 3.179 7.780 -8.867 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.328 6.505 -10.934 1.00 0.00 H new ATOM 0 HB3 LEU A 65 5.036 6.203 -10.680 1.00 0.00 H new ATOM 0 HG LEU A 65 3.292 4.334 -10.169 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.754 3.437 -8.403 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.690 4.155 -9.735 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.494 5.043 -8.205 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.506 4.314 -7.840 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.148 5.959 -7.613 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.818 5.674 -8.760 1.00 0.00 H new ATOM 989 N ARG A 66 6.375 7.038 -8.412 1.00 0.00 N ATOM 990 CA ARG A 66 7.354 6.761 -7.365 1.00 0.00 C ATOM 991 C ARG A 66 7.395 7.891 -6.343 1.00 0.00 C ATOM 992 O ARG A 66 7.674 7.666 -5.167 1.00 0.00 O ATOM 993 CB ARG A 66 8.743 6.540 -7.969 1.00 0.00 C ATOM 994 CG ARG A 66 9.116 5.072 -8.104 1.00 0.00 C ATOM 995 CD ARG A 66 10.400 4.891 -8.896 1.00 0.00 C ATOM 996 NE ARG A 66 11.020 3.591 -8.641 1.00 0.00 N ATOM 997 CZ ARG A 66 10.829 2.512 -9.398 1.00 0.00 C ATOM 998 NH1 ARG A 66 10.027 2.560 -10.456 1.00 0.00 N ATOM 999 NH2 ARG A 66 11.436 1.373 -9.092 1.00 0.00 N ATOM 0 H ARG A 66 6.744 7.006 -9.362 1.00 0.00 H new ATOM 0 HA ARG A 66 7.048 5.849 -6.853 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.782 7.009 -8.952 1.00 0.00 H new ATOM 0 HB3 ARG A 66 9.485 7.040 -7.347 1.00 0.00 H new ATOM 0 HG2 ARG A 66 9.234 4.634 -7.113 1.00 0.00 H new ATOM 0 HG3 ARG A 66 8.306 4.534 -8.596 1.00 0.00 H new ATOM 0 HD2 ARG A 66 10.187 4.989 -9.960 1.00 0.00 H new ATOM 0 HD3 ARG A 66 11.101 5.684 -8.637 1.00 0.00 H new ATOM 0 HE ARG A 66 11.637 3.506 -7.833 1.00 0.00 H new ATOM 0 HH11 ARG A 66 9.550 3.429 -10.696 1.00 0.00 H new ATOM 0 HH12 ARG A 66 9.888 1.728 -11.029 1.00 0.00 H new ATOM 0 HH21 ARG A 66 12.048 1.324 -8.278 1.00 0.00 H new ATOM 0 HH22 ARG A 66 11.290 0.546 -9.671 1.00 0.00 H new ATOM 1013 N SER A 67 7.109 9.103 -6.799 1.00 0.00 N ATOM 1014 CA SER A 67 7.108 10.269 -5.920 1.00 0.00 C ATOM 1015 C SER A 67 6.148 10.077 -4.749 1.00 0.00 C ATOM 1016 O SER A 67 6.491 10.353 -3.600 1.00 0.00 O ATOM 1017 CB SER A 67 6.719 11.523 -6.699 1.00 0.00 C ATOM 1018 OG SER A 67 7.645 11.791 -7.736 1.00 0.00 O ATOM 0 H SER A 67 6.875 9.306 -7.771 1.00 0.00 H new ATOM 0 HA SER A 67 8.117 10.387 -5.526 1.00 0.00 H new ATOM 0 HB2 SER A 67 5.722 11.397 -7.122 1.00 0.00 H new ATOM 0 HB3 SER A 67 6.672 12.375 -6.021 1.00 0.00 H new ATOM 0 HG SER A 67 7.546 11.121 -8.444 1.00 0.00 H new ATOM 1024 N LYS A 68 4.941 9.612 -5.052 1.00 0.00 N ATOM 1025 CA LYS A 68 3.926 9.392 -4.023 1.00 0.00 C ATOM 1026 C LYS A 68 4.178 8.088 -3.273 1.00 0.00 C ATOM 1027 O LYS A 68 4.186 8.064 -2.043 1.00 0.00 O ATOM 1028 CB LYS A 68 2.522 9.378 -4.641 1.00 0.00 C ATOM 1029 CG LYS A 68 2.406 10.184 -5.926 1.00 0.00 C ATOM 1030 CD LYS A 68 1.035 10.826 -6.065 1.00 0.00 C ATOM 1031 CE LYS A 68 0.768 11.262 -7.496 1.00 0.00 C ATOM 1032 NZ LYS A 68 1.295 12.627 -7.772 1.00 0.00 N ATOM 0 H LYS A 68 4.640 9.380 -5.999 1.00 0.00 H new ATOM 0 HA LYS A 68 3.990 10.216 -3.313 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.235 8.346 -4.844 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.811 9.769 -3.913 1.00 0.00 H new ATOM 0 HG2 LYS A 68 3.173 10.958 -5.941 1.00 0.00 H new ATOM 0 HG3 LYS A 68 2.592 9.534 -6.781 1.00 0.00 H new ATOM 0 HD2 LYS A 68 0.267 10.120 -5.749 1.00 0.00 H new ATOM 0 HD3 LYS A 68 0.967 11.688 -5.402 1.00 0.00 H new ATOM 0 HE2 LYS A 68 1.227 10.551 -8.183 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -0.305 11.243 -7.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 1.688 12.659 -8.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 0.524 13.320 -7.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 2.041 12.856 -7.085 1.00 0.00 H new ATOM 1046 N VAL A 69 4.398 7.008 -4.015 1.00 0.00 N ATOM 1047 CA VAL A 69 4.666 5.708 -3.411 1.00 0.00 C ATOM 1048 C VAL A 69 5.874 5.772 -2.494 1.00 0.00 C ATOM 1049 O VAL A 69 5.817 5.341 -1.343 1.00 0.00 O ATOM 1050 CB VAL A 69 4.936 4.635 -4.474 1.00 0.00 C ATOM 1051 CG1 VAL A 69 4.965 3.255 -3.836 1.00 0.00 C ATOM 1052 CG2 VAL A 69 3.904 4.707 -5.583 1.00 0.00 C ATOM 0 H VAL A 69 4.396 7.007 -5.035 1.00 0.00 H new ATOM 0 HA VAL A 69 3.775 5.443 -2.842 1.00 0.00 H new ATOM 0 HB VAL A 69 5.913 4.823 -4.919 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.157 2.504 -4.602 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.754 3.218 -3.085 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.004 3.053 -3.363 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.114 3.938 -6.326 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.910 4.547 -5.166 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.945 5.688 -6.055 1.00 0.00 H new ATOM 1062 N ASP A 70 6.972 6.314 -3.017 1.00 0.00 N ATOM 1063 CA ASP A 70 8.206 6.436 -2.248 1.00 0.00 C ATOM 1064 C ASP A 70 7.900 7.011 -0.880 1.00 0.00 C ATOM 1065 O ASP A 70 8.185 6.395 0.146 1.00 0.00 O ATOM 1066 CB ASP A 70 9.210 7.330 -2.981 1.00 0.00 C ATOM 1067 CG ASP A 70 10.539 7.442 -2.255 1.00 0.00 C ATOM 1068 OD1 ASP A 70 10.570 7.218 -1.027 1.00 0.00 O ATOM 1069 OD2 ASP A 70 11.551 7.755 -2.917 1.00 0.00 O ATOM 0 H ASP A 70 7.031 6.675 -3.969 1.00 0.00 H new ATOM 0 HA ASP A 70 8.647 5.446 -2.132 1.00 0.00 H new ATOM 0 HB2 ASP A 70 9.380 6.933 -3.982 1.00 0.00 H new ATOM 0 HB3 ASP A 70 8.782 8.325 -3.102 1.00 0.00 H new ATOM 1074 N GLU A 71 7.302 8.191 -0.876 1.00 0.00 N ATOM 1075 CA GLU A 71 6.939 8.844 0.368 1.00 0.00 C ATOM 1076 C GLU A 71 6.161 7.873 1.248 1.00 0.00 C ATOM 1077 O GLU A 71 6.427 7.754 2.444 1.00 0.00 O ATOM 1078 CB GLU A 71 6.125 10.104 0.081 1.00 0.00 C ATOM 1079 CG GLU A 71 6.926 11.388 0.252 1.00 0.00 C ATOM 1080 CD GLU A 71 8.246 11.372 -0.497 1.00 0.00 C ATOM 1081 OE1 GLU A 71 8.486 10.414 -1.261 1.00 0.00 O ATOM 1082 OE2 GLU A 71 9.038 12.322 -0.321 1.00 0.00 O ATOM 0 H GLU A 71 7.059 8.714 -1.718 1.00 0.00 H new ATOM 0 HA GLU A 71 7.842 9.142 0.900 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.741 10.056 -0.938 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.262 10.131 0.746 1.00 0.00 H new ATOM 0 HG2 GLU A 71 6.328 12.231 -0.096 1.00 0.00 H new ATOM 0 HG3 GLU A 71 7.119 11.550 1.312 1.00 0.00 H new ATOM 1089 N ALA A 72 5.207 7.171 0.638 1.00 0.00 N ATOM 1090 CA ALA A 72 4.388 6.192 1.345 1.00 0.00 C ATOM 1091 C ALA A 72 5.236 5.300 2.236 1.00 0.00 C ATOM 1092 O ALA A 72 5.028 5.229 3.446 1.00 0.00 O ATOM 1093 CB ALA A 72 3.635 5.326 0.348 1.00 0.00 C ATOM 0 H ALA A 72 4.982 7.265 -0.353 1.00 0.00 H new ATOM 0 HA ALA A 72 3.684 6.740 1.970 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.026 4.598 0.885 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.991 5.955 -0.266 1.00 0.00 H new ATOM 0 HB3 ALA A 72 4.347 4.803 -0.290 1.00 0.00 H new ATOM 1099 N VAL A 73 6.187 4.614 1.627 1.00 0.00 N ATOM 1100 CA VAL A 73 7.049 3.715 2.374 1.00 0.00 C ATOM 1101 C VAL A 73 7.650 4.433 3.575 1.00 0.00 C ATOM 1102 O VAL A 73 7.767 3.861 4.655 1.00 0.00 O ATOM 1103 CB VAL A 73 8.182 3.131 1.505 1.00 0.00 C ATOM 1104 CG1 VAL A 73 8.820 1.940 2.203 1.00 0.00 C ATOM 1105 CG2 VAL A 73 7.663 2.729 0.132 1.00 0.00 C ATOM 0 H VAL A 73 6.381 4.661 0.627 1.00 0.00 H new ATOM 0 HA VAL A 73 6.426 2.886 2.710 1.00 0.00 H new ATOM 0 HB VAL A 73 8.939 3.903 1.366 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.618 1.537 1.579 1.00 0.00 H new ATOM 0 HG12 VAL A 73 9.233 2.258 3.160 1.00 0.00 H new ATOM 0 HG13 VAL A 73 8.067 1.170 2.371 1.00 0.00 H new ATOM 0 HG21 VAL A 73 8.481 2.320 -0.461 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.884 1.975 0.244 1.00 0.00 H new ATOM 0 HG23 VAL A 73 7.251 3.604 -0.372 1.00 0.00 H new ATOM 1115 N ALA A 74 8.005 5.695 3.393 1.00 0.00 N ATOM 1116 CA ALA A 74 8.566 6.480 4.476 1.00 0.00 C ATOM 1117 C ALA A 74 7.492 6.833 5.506 1.00 0.00 C ATOM 1118 O ALA A 74 7.619 6.502 6.685 1.00 0.00 O ATOM 1119 CB ALA A 74 9.225 7.737 3.928 1.00 0.00 C ATOM 0 H ALA A 74 7.914 6.194 2.508 1.00 0.00 H new ATOM 0 HA ALA A 74 9.326 5.882 4.978 1.00 0.00 H new ATOM 0 HB1 ALA A 74 9.642 8.317 4.751 1.00 0.00 H new ATOM 0 HB2 ALA A 74 10.023 7.459 3.239 1.00 0.00 H new ATOM 0 HB3 ALA A 74 8.483 8.337 3.401 1.00 0.00 H new ATOM 1125 N VAL A 75 6.447 7.521 5.056 1.00 0.00 N ATOM 1126 CA VAL A 75 5.359 7.938 5.937 1.00 0.00 C ATOM 1127 C VAL A 75 4.592 6.769 6.529 1.00 0.00 C ATOM 1128 O VAL A 75 4.547 6.589 7.743 1.00 0.00 O ATOM 1129 CB VAL A 75 4.371 8.862 5.194 1.00 0.00 C ATOM 1130 CG1 VAL A 75 3.991 8.330 3.814 1.00 0.00 C ATOM 1131 CG2 VAL A 75 3.129 9.163 6.032 1.00 0.00 C ATOM 0 H VAL A 75 6.330 7.803 4.083 1.00 0.00 H new ATOM 0 HA VAL A 75 5.832 8.477 6.758 1.00 0.00 H new ATOM 0 HB VAL A 75 4.899 9.802 5.036 1.00 0.00 H new ATOM 0 HG11 VAL A 75 3.294 9.020 3.337 1.00 0.00 H new ATOM 0 HG12 VAL A 75 4.887 8.237 3.200 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.520 7.353 3.918 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.461 9.816 5.471 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.613 8.232 6.266 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.425 9.656 6.958 1.00 0.00 H new ATOM 1141 N LEU A 76 3.947 6.015 5.663 1.00 0.00 N ATOM 1142 CA LEU A 76 3.118 4.889 6.096 1.00 0.00 C ATOM 1143 C LEU A 76 3.864 3.990 7.063 1.00 0.00 C ATOM 1144 O LEU A 76 3.400 3.747 8.175 1.00 0.00 O ATOM 1145 CB LEU A 76 2.647 4.064 4.900 1.00 0.00 C ATOM 1146 CG LEU A 76 2.176 4.868 3.688 1.00 0.00 C ATOM 1147 CD1 LEU A 76 1.336 3.995 2.777 1.00 0.00 C ATOM 1148 CD2 LEU A 76 1.398 6.107 4.119 1.00 0.00 C ATOM 0 H LEU A 76 3.975 6.155 4.653 1.00 0.00 H new ATOM 0 HA LEU A 76 2.251 5.309 6.606 1.00 0.00 H new ATOM 0 HB2 LEU A 76 3.463 3.413 4.587 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.831 3.419 5.225 1.00 0.00 H new ATOM 0 HG LEU A 76 3.054 5.204 3.137 1.00 0.00 H new ATOM 0 HD11 LEU A 76 1.006 4.578 1.917 1.00 0.00 H new ATOM 0 HD12 LEU A 76 1.931 3.148 2.435 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.466 3.630 3.323 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.076 6.659 3.236 1.00 0.00 H new ATOM 0 HD22 LEU A 76 0.525 5.805 4.697 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.037 6.743 4.732 1.00 0.00 H new ATOM 1160 N GLN A 77 5.021 3.505 6.643 1.00 0.00 N ATOM 1161 CA GLN A 77 5.806 2.639 7.505 1.00 0.00 C ATOM 1162 C GLN A 77 5.977 3.296 8.878 1.00 0.00 C ATOM 1163 O GLN A 77 6.048 2.619 9.903 1.00 0.00 O ATOM 1164 CB GLN A 77 7.165 2.339 6.876 1.00 0.00 C ATOM 1165 CG GLN A 77 7.544 0.868 6.927 1.00 0.00 C ATOM 1166 CD GLN A 77 8.143 0.463 8.258 1.00 0.00 C ATOM 1167 OE1 GLN A 77 9.364 0.414 8.413 1.00 0.00 O ATOM 1168 NE2 GLN A 77 7.286 0.170 9.230 1.00 0.00 N ATOM 0 H GLN A 77 5.431 3.692 5.728 1.00 0.00 H new ATOM 0 HA GLN A 77 5.280 1.693 7.629 1.00 0.00 H new ATOM 0 HB2 GLN A 77 7.156 2.668 5.837 1.00 0.00 H new ATOM 0 HB3 GLN A 77 7.931 2.921 7.389 1.00 0.00 H new ATOM 0 HG2 GLN A 77 6.659 0.262 6.733 1.00 0.00 H new ATOM 0 HG3 GLN A 77 8.258 0.653 6.132 1.00 0.00 H new ATOM 0 HE21 GLN A 77 6.282 0.224 9.058 1.00 0.00 H new ATOM 0 HE22 GLN A 77 7.632 -0.109 10.148 1.00 0.00 H new ATOM 1177 N ALA A 78 6.020 4.631 8.877 1.00 0.00 N ATOM 1178 CA ALA A 78 6.160 5.412 10.107 1.00 0.00 C ATOM 1179 C ALA A 78 4.820 5.604 10.828 1.00 0.00 C ATOM 1180 O ALA A 78 4.663 5.203 11.981 1.00 0.00 O ATOM 1181 CB ALA A 78 6.789 6.762 9.800 1.00 0.00 C ATOM 0 H ALA A 78 5.959 5.196 8.030 1.00 0.00 H new ATOM 0 HA ALA A 78 6.811 4.850 10.777 1.00 0.00 H new ATOM 0 HB1 ALA A 78 6.889 7.335 10.722 1.00 0.00 H new ATOM 0 HB2 ALA A 78 7.774 6.612 9.358 1.00 0.00 H new ATOM 0 HB3 ALA A 78 6.156 7.308 9.100 1.00 0.00 H new ATOM 1187 N HIS A 79 3.862 6.242 10.147 1.00 0.00 N ATOM 1188 CA HIS A 79 2.546 6.507 10.732 1.00 0.00 C ATOM 1189 C HIS A 79 1.867 5.206 11.150 1.00 0.00 C ATOM 1190 O HIS A 79 1.269 5.126 12.222 1.00 0.00 O ATOM 1191 CB HIS A 79 1.656 7.269 9.737 1.00 0.00 C ATOM 1192 CG HIS A 79 1.013 8.496 10.311 1.00 0.00 C ATOM 1193 ND1 HIS A 79 -0.245 8.489 10.878 1.00 0.00 N ATOM 1194 CD2 HIS A 79 1.452 9.776 10.391 1.00 0.00 C ATOM 1195 CE1 HIS A 79 -0.553 9.708 11.281 1.00 0.00 C ATOM 1196 NE2 HIS A 79 0.459 10.508 10.998 1.00 0.00 N ATOM 0 H HIS A 79 3.974 6.583 9.192 1.00 0.00 H new ATOM 0 HA HIS A 79 2.690 7.124 11.619 1.00 0.00 H new ATOM 0 HB2 HIS A 79 2.257 7.556 8.874 1.00 0.00 H new ATOM 0 HB3 HIS A 79 0.877 6.598 9.375 1.00 0.00 H new ATOM 0 HD2 HIS A 79 2.403 10.151 10.043 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -1.475 10.001 11.760 1.00 0.00 H new ATOM 0 HE2 HIS A 79 0.498 11.508 11.198 1.00 0.00 H new ATOM 1536 N LYS B 5 5.235 12.958 5.023 1.00 0.00 N ATOM 1537 CA LYS B 5 5.459 12.765 3.598 1.00 0.00 C ATOM 1538 C LYS B 5 4.295 13.323 2.782 1.00 0.00 C ATOM 1539 O LYS B 5 3.415 13.997 3.319 1.00 0.00 O ATOM 1540 CB LYS B 5 5.660 11.288 3.293 1.00 0.00 C ATOM 1541 CG LYS B 5 7.049 10.777 3.648 1.00 0.00 C ATOM 1542 CD LYS B 5 7.215 10.587 5.150 1.00 0.00 C ATOM 1543 CE LYS B 5 8.441 11.315 5.684 1.00 0.00 C ATOM 1544 NZ LYS B 5 9.438 10.374 6.271 1.00 0.00 N ATOM 0 HA LYS B 5 6.361 13.309 3.317 1.00 0.00 H new ATOM 0 HB2 LYS B 5 4.917 10.708 3.841 1.00 0.00 H new ATOM 0 HB3 LYS B 5 5.479 11.117 2.232 1.00 0.00 H new ATOM 0 HG2 LYS B 5 7.229 9.830 3.140 1.00 0.00 H new ATOM 0 HG3 LYS B 5 7.799 11.480 3.286 1.00 0.00 H new ATOM 0 HD2 LYS B 5 6.325 10.952 5.662 1.00 0.00 H new ATOM 0 HD3 LYS B 5 7.298 9.524 5.374 1.00 0.00 H new ATOM 0 HE2 LYS B 5 8.907 11.880 4.877 1.00 0.00 H new ATOM 0 HE3 LYS B 5 8.133 12.036 6.441 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 9.829 10.782 7.144 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 8.975 9.469 6.489 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 10.207 10.214 5.590 1.00 0.00 H new ATOM 1558 N LEU B 6 4.296 13.041 1.484 1.00 0.00 N ATOM 1559 CA LEU B 6 3.246 13.515 0.590 1.00 0.00 C ATOM 1560 C LEU B 6 2.005 12.638 0.692 1.00 0.00 C ATOM 1561 O LEU B 6 0.878 13.131 0.648 1.00 0.00 O ATOM 1562 CB LEU B 6 3.746 13.529 -0.856 1.00 0.00 C ATOM 1563 CG LEU B 6 5.067 14.265 -1.085 1.00 0.00 C ATOM 1564 CD1 LEU B 6 5.892 13.560 -2.156 1.00 0.00 C ATOM 1565 CD2 LEU B 6 4.807 15.713 -1.476 1.00 0.00 C ATOM 0 H LEU B 6 5.017 12.483 1.025 1.00 0.00 H new ATOM 0 HA LEU B 6 2.982 14.529 0.891 1.00 0.00 H new ATOM 0 HB2 LEU B 6 3.860 12.499 -1.193 1.00 0.00 H new ATOM 0 HB3 LEU B 6 2.981 13.987 -1.483 1.00 0.00 H new ATOM 0 HG LEU B 6 5.634 14.256 -0.154 1.00 0.00 H new ATOM 0 HD11 LEU B 6 6.829 14.097 -2.306 1.00 0.00 H new ATOM 0 HD12 LEU B 6 6.106 12.540 -1.838 1.00 0.00 H new ATOM 0 HD13 LEU B 6 5.332 13.538 -3.091 1.00 0.00 H new ATOM 0 HD21 LEU B 6 5.757 16.223 -1.635 1.00 0.00 H new ATOM 0 HD22 LEU B 6 4.221 15.742 -2.395 1.00 0.00 H new ATOM 0 HD23 LEU B 6 4.257 16.212 -0.678 1.00 0.00 H new ATOM 1577 N SER B 7 2.219 11.334 0.820 1.00 0.00 N ATOM 1578 CA SER B 7 1.114 10.390 0.918 1.00 0.00 C ATOM 1579 C SER B 7 0.790 10.067 2.372 1.00 0.00 C ATOM 1580 O SER B 7 1.200 9.030 2.894 1.00 0.00 O ATOM 1581 CB SER B 7 1.449 9.103 0.164 1.00 0.00 C ATOM 1582 OG SER B 7 2.834 8.815 0.236 1.00 0.00 O ATOM 0 H SER B 7 3.145 10.908 0.858 1.00 0.00 H new ATOM 0 HA SER B 7 0.237 10.855 0.467 1.00 0.00 H new ATOM 0 HB2 SER B 7 0.880 8.274 0.584 1.00 0.00 H new ATOM 0 HB3 SER B 7 1.149 9.200 -0.879 1.00 0.00 H new ATOM 0 HG SER B 7 3.159 8.549 -0.649 1.00 0.00 H new ATOM 1588 N VAL B 8 0.050 10.958 3.021 1.00 0.00 N ATOM 1589 CA VAL B 8 -0.335 10.766 4.416 1.00 0.00 C ATOM 1590 C VAL B 8 -0.982 9.395 4.625 1.00 0.00 C ATOM 1591 O VAL B 8 -1.503 8.796 3.684 1.00 0.00 O ATOM 1592 CB VAL B 8 -1.318 11.862 4.873 1.00 0.00 C ATOM 1593 CG1 VAL B 8 -2.614 11.784 4.080 1.00 0.00 C ATOM 1594 CG2 VAL B 8 -1.585 11.753 6.365 1.00 0.00 C ATOM 0 H VAL B 8 -0.296 11.822 2.604 1.00 0.00 H new ATOM 0 HA VAL B 8 0.575 10.827 5.013 1.00 0.00 H new ATOM 0 HB VAL B 8 -0.864 12.834 4.682 1.00 0.00 H new ATOM 0 HG11 VAL B 8 -3.295 12.566 4.417 1.00 0.00 H new ATOM 0 HG12 VAL B 8 -2.401 11.921 3.020 1.00 0.00 H new ATOM 0 HG13 VAL B 8 -3.077 10.809 4.234 1.00 0.00 H new ATOM 0 HG21 VAL B 8 -2.281 12.535 6.668 1.00 0.00 H new ATOM 0 HG22 VAL B 8 -2.017 10.777 6.587 1.00 0.00 H new ATOM 0 HG23 VAL B 8 -0.649 11.869 6.912 1.00 0.00 H new ATOM 1604 N ASN B 9 -0.943 8.900 5.859 1.00 0.00 N ATOM 1605 CA ASN B 9 -1.524 7.601 6.179 1.00 0.00 C ATOM 1606 C ASN B 9 -3.050 7.675 6.256 1.00 0.00 C ATOM 1607 O ASN B 9 -3.644 7.319 7.274 1.00 0.00 O ATOM 1608 CB ASN B 9 -0.959 7.089 7.507 1.00 0.00 C ATOM 1609 CG ASN B 9 -0.941 5.576 7.586 1.00 0.00 C ATOM 1610 OD1 ASN B 9 0.238 5.013 7.825 1.00 0.00 O flip ATOM 1611 ND2 ASN B 9 -1.971 4.920 7.437 1.00 0.00 N flip ATOM 0 H ASN B 9 -0.516 9.378 6.652 1.00 0.00 H new ATOM 0 HA ASN B 9 -1.260 6.909 5.380 1.00 0.00 H new ATOM 0 HB2 ASN B 9 0.055 7.468 7.637 1.00 0.00 H new ATOM 0 HB3 ASN B 9 -1.556 7.485 8.329 1.00 0.00 H new ATOM 0 HD21 ASN B 9 -2.856 5.394 7.255 1.00 0.00 H new ATOM 0 HD22 ASN B 9 -1.940 3.902 7.496 1.00 0.00 H new ATOM 1618 N ALA B 10 -3.687 8.144 5.179 1.00 0.00 N ATOM 1619 CA ALA B 10 -5.142 8.267 5.138 1.00 0.00 C ATOM 1620 C ALA B 10 -5.820 6.954 5.538 1.00 0.00 C ATOM 1621 O ALA B 10 -5.141 5.956 5.779 1.00 0.00 O ATOM 1622 CB ALA B 10 -5.566 8.693 3.739 1.00 0.00 C ATOM 0 H ALA B 10 -3.216 8.444 4.326 1.00 0.00 H new ATOM 0 HA ALA B 10 -5.456 9.024 5.857 1.00 0.00 H new ATOM 0 HB1 ALA B 10 -6.651 8.787 3.701 1.00 0.00 H new ATOM 0 HB2 ALA B 10 -5.110 9.653 3.497 1.00 0.00 H new ATOM 0 HB3 ALA B 10 -5.241 7.944 3.017 1.00 0.00 H new ATOM 1628 N PRO B 11 -7.170 6.936 5.629 1.00 0.00 N ATOM 1629 CA PRO B 11 -7.919 5.729 6.008 1.00 0.00 C ATOM 1630 C PRO B 11 -7.504 4.501 5.198 1.00 0.00 C ATOM 1631 O PRO B 11 -6.384 4.429 4.692 1.00 0.00 O ATOM 1632 CB PRO B 11 -9.370 6.115 5.717 1.00 0.00 C ATOM 1633 CG PRO B 11 -9.396 7.592 5.898 1.00 0.00 C ATOM 1634 CD PRO B 11 -8.071 8.082 5.386 1.00 0.00 C ATOM 0 HA PRO B 11 -7.741 5.443 7.045 1.00 0.00 H new ATOM 0 HB2 PRO B 11 -9.663 5.832 4.706 1.00 0.00 H new ATOM 0 HB3 PRO B 11 -10.059 5.618 6.399 1.00 0.00 H new ATOM 0 HG2 PRO B 11 -10.221 8.041 5.345 1.00 0.00 H new ATOM 0 HG3 PRO B 11 -9.534 7.857 6.946 1.00 0.00 H new ATOM 0 HD2 PRO B 11 -8.119 8.339 4.328 1.00 0.00 H new ATOM 0 HD3 PRO B 11 -7.739 8.974 5.917 1.00 0.00 H new ATOM 1642 N GLU B 12 -8.409 3.539 5.050 1.00 0.00 N ATOM 1643 CA GLU B 12 -8.124 2.337 4.276 1.00 0.00 C ATOM 1644 C GLU B 12 -8.325 2.569 2.779 1.00 0.00 C ATOM 1645 O GLU B 12 -8.602 3.683 2.337 1.00 0.00 O ATOM 1646 CB GLU B 12 -9.015 1.186 4.743 1.00 0.00 C ATOM 1647 CG GLU B 12 -9.136 1.084 6.255 1.00 0.00 C ATOM 1648 CD GLU B 12 -8.721 -0.274 6.783 1.00 0.00 C ATOM 1649 OE1 GLU B 12 -7.521 -0.456 7.078 1.00 0.00 O ATOM 1650 OE2 GLU B 12 -9.596 -1.156 6.902 1.00 0.00 O ATOM 0 H GLU B 12 -9.345 3.569 5.455 1.00 0.00 H new ATOM 0 HA GLU B 12 -7.078 2.080 4.441 1.00 0.00 H new ATOM 0 HB2 GLU B 12 -10.010 1.311 4.315 1.00 0.00 H new ATOM 0 HB3 GLU B 12 -8.616 0.249 4.355 1.00 0.00 H new ATOM 0 HG2 GLU B 12 -8.518 1.854 6.718 1.00 0.00 H new ATOM 0 HG3 GLU B 12 -10.167 1.284 6.547 1.00 0.00 H new ATOM 1657 N PHE B 13 -8.192 1.490 2.012 1.00 0.00 N ATOM 1658 CA PHE B 13 -8.372 1.557 0.564 1.00 0.00 C ATOM 1659 C PHE B 13 -9.735 0.993 0.177 1.00 0.00 C ATOM 1660 O PHE B 13 -10.032 -0.177 0.419 1.00 0.00 O ATOM 1661 CB PHE B 13 -7.249 0.824 -0.182 1.00 0.00 C ATOM 1662 CG PHE B 13 -7.286 -0.672 -0.067 1.00 0.00 C ATOM 1663 CD1 PHE B 13 -6.909 -1.306 1.108 1.00 0.00 C ATOM 1664 CD2 PHE B 13 -7.679 -1.445 -1.143 1.00 0.00 C ATOM 1665 CE1 PHE B 13 -6.929 -2.687 1.200 1.00 0.00 C ATOM 1666 CE2 PHE B 13 -7.702 -2.820 -1.054 1.00 0.00 C ATOM 1667 CZ PHE B 13 -7.328 -3.442 0.116 1.00 0.00 C ATOM 0 H PHE B 13 -7.961 0.562 2.367 1.00 0.00 H new ATOM 0 HA PHE B 13 -8.327 2.605 0.269 1.00 0.00 H new ATOM 0 HB2 PHE B 13 -7.297 1.094 -1.237 1.00 0.00 H new ATOM 0 HB3 PHE B 13 -6.290 1.179 0.195 1.00 0.00 H new ATOM 0 HD1 PHE B 13 -6.597 -0.717 1.958 1.00 0.00 H new ATOM 0 HD2 PHE B 13 -7.972 -0.965 -2.065 1.00 0.00 H new ATOM 0 HE1 PHE B 13 -6.633 -3.173 2.118 1.00 0.00 H new ATOM 0 HE2 PHE B 13 -8.014 -3.410 -1.903 1.00 0.00 H new ATOM 0 HZ PHE B 13 -7.347 -4.520 0.185 1.00 0.00 H new ATOM 1677 N TYR B 14 -10.549 1.841 -0.458 1.00 0.00 N ATOM 1678 CA TYR B 14 -11.877 1.453 -0.923 1.00 0.00 C ATOM 1679 C TYR B 14 -11.983 1.591 -2.445 1.00 0.00 C ATOM 1680 O TYR B 14 -11.086 2.141 -3.085 1.00 0.00 O ATOM 1681 CB TYR B 14 -12.953 2.282 -0.216 1.00 0.00 C ATOM 1682 CG TYR B 14 -13.653 1.519 0.891 1.00 0.00 C ATOM 1683 CD1 TYR B 14 -12.954 1.112 2.022 1.00 0.00 C ATOM 1684 CD2 TYR B 14 -15.001 1.192 0.802 1.00 0.00 C ATOM 1685 CE1 TYR B 14 -13.581 0.406 3.032 1.00 0.00 C ATOM 1686 CE2 TYR B 14 -15.633 0.485 1.807 1.00 0.00 C ATOM 1687 CZ TYR B 14 -14.919 0.095 2.919 1.00 0.00 C ATOM 1688 OH TYR B 14 -15.545 -0.610 3.921 1.00 0.00 O ATOM 0 H TYR B 14 -10.305 2.810 -0.662 1.00 0.00 H new ATOM 0 HA TYR B 14 -12.038 0.404 -0.674 1.00 0.00 H new ATOM 0 HB2 TYR B 14 -12.497 3.180 0.201 1.00 0.00 H new ATOM 0 HB3 TYR B 14 -13.691 2.610 -0.948 1.00 0.00 H new ATOM 0 HD1 TYR B 14 -11.905 1.351 2.113 1.00 0.00 H new ATOM 0 HD2 TYR B 14 -15.564 1.496 -0.068 1.00 0.00 H new ATOM 0 HE1 TYR B 14 -13.025 0.100 3.906 1.00 0.00 H new ATOM 0 HE2 TYR B 14 -16.681 0.239 1.721 1.00 0.00 H new ATOM 0 HH TYR B 14 -16.487 -0.745 3.686 1.00 0.00 H new ATOM 1698 N PRO B 15 -13.083 1.104 -3.053 1.00 0.00 N ATOM 1699 CA PRO B 15 -13.294 1.190 -4.504 1.00 0.00 C ATOM 1700 C PRO B 15 -13.342 2.628 -5.018 1.00 0.00 C ATOM 1701 O PRO B 15 -14.384 3.285 -4.971 1.00 0.00 O ATOM 1702 CB PRO B 15 -14.653 0.531 -4.720 1.00 0.00 C ATOM 1703 CG PRO B 15 -15.313 0.559 -3.386 1.00 0.00 C ATOM 1704 CD PRO B 15 -14.206 0.432 -2.384 1.00 0.00 C ATOM 0 HA PRO B 15 -12.473 0.715 -5.042 1.00 0.00 H new ATOM 0 HB2 PRO B 15 -15.240 1.072 -5.462 1.00 0.00 H new ATOM 0 HB3 PRO B 15 -14.543 -0.490 -5.084 1.00 0.00 H new ATOM 0 HG2 PRO B 15 -15.867 1.487 -3.242 1.00 0.00 H new ATOM 0 HG3 PRO B 15 -16.028 -0.258 -3.285 1.00 0.00 H new ATOM 0 HD2 PRO B 15 -14.459 0.912 -1.439 1.00 0.00 H new ATOM 0 HD3 PRO B 15 -13.979 -0.611 -2.162 1.00 0.00 H new ATOM 1712 N SER B 16 -12.216 3.097 -5.532 1.00 0.00 N ATOM 1713 CA SER B 16 -12.119 4.448 -6.072 1.00 0.00 C ATOM 1714 C SER B 16 -13.235 4.710 -7.077 1.00 0.00 C ATOM 1715 O SER B 16 -14.174 5.456 -6.802 1.00 0.00 O ATOM 1716 CB SER B 16 -10.759 4.634 -6.734 1.00 0.00 C ATOM 1717 OG SER B 16 -10.244 5.935 -6.505 1.00 0.00 O ATOM 0 H SER B 16 -11.351 2.560 -5.588 1.00 0.00 H new ATOM 0 HA SER B 16 -12.225 5.162 -5.255 1.00 0.00 H new ATOM 0 HB2 SER B 16 -10.060 3.892 -6.348 1.00 0.00 H new ATOM 0 HB3 SER B 16 -10.848 4.460 -7.806 1.00 0.00 H new ATOM 0 HG SER B 16 -10.161 6.089 -5.541 1.00 0.00 H new ATOM 1723 N GLY B 17 -13.126 4.084 -8.241 1.00 0.00 N ATOM 1724 CA GLY B 17 -14.133 4.246 -9.269 1.00 0.00 C ATOM 1725 C GLY B 17 -15.306 3.303 -9.082 1.00 0.00 C ATOM 1726 O GLY B 17 -15.647 2.538 -9.986 1.00 0.00 O ATOM 0 H GLY B 17 -12.355 3.465 -8.492 1.00 0.00 H new ATOM 0 HA2 GLY B 17 -14.493 5.275 -9.263 1.00 0.00 H new ATOM 0 HA3 GLY B 17 -13.682 4.072 -10.246 1.00 0.00 H new ATOM 1730 N TYR B 18 -15.926 3.360 -7.907 1.00 0.00 N ATOM 1731 CA TYR B 18 -17.075 2.515 -7.604 1.00 0.00 C ATOM 1732 C TYR B 18 -18.273 2.911 -8.463 1.00 0.00 C ATOM 1733 O TYR B 18 -18.567 4.096 -8.618 1.00 0.00 O ATOM 1734 CB TYR B 18 -17.432 2.645 -6.124 1.00 0.00 C ATOM 1735 CG TYR B 18 -18.059 1.404 -5.529 1.00 0.00 C ATOM 1736 CD1 TYR B 18 -17.423 0.173 -5.614 1.00 0.00 C ATOM 1737 CD2 TYR B 18 -19.282 1.468 -4.876 1.00 0.00 C ATOM 1738 CE1 TYR B 18 -17.990 -0.962 -5.063 1.00 0.00 C ATOM 1739 CE2 TYR B 18 -19.856 0.338 -4.323 1.00 0.00 C ATOM 1740 CZ TYR B 18 -19.207 -0.873 -4.419 1.00 0.00 C ATOM 1741 OH TYR B 18 -19.773 -1.999 -3.869 1.00 0.00 O ATOM 0 H TYR B 18 -15.651 3.984 -7.148 1.00 0.00 H new ATOM 0 HA TYR B 18 -16.817 1.480 -7.826 1.00 0.00 H new ATOM 0 HB2 TYR B 18 -16.529 2.887 -5.563 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -18.119 3.482 -5.999 1.00 0.00 H new ATOM 0 HD1 TYR B 18 -16.471 0.100 -6.118 1.00 0.00 H new ATOM 0 HD2 TYR B 18 -19.794 2.416 -4.798 1.00 0.00 H new ATOM 0 HE1 TYR B 18 -17.483 -1.913 -5.136 1.00 0.00 H new ATOM 0 HE2 TYR B 18 -20.808 0.405 -3.818 1.00 0.00 H new ATOM 0 HH TYR B 18 -20.628 -1.765 -3.452 1.00 0.00 H new