USER MOD reduce.3.24.130724 H: found=0, std=0, add=966, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 967 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 94 LYS NZ :NH3+ -178:sc= 1.26 (180deg=0) USER MOD Set 1.2: A 107 HIS : no HE2:sc= -0.0595! C(o=-0.76!,f=-8.4!) USER MOD Set 1.3: A 111 ASN : amide:sc= -1.96! K(o=-0.76!,f=0.074) USER MOD Set 2.1: A 109 MET CE :methyl -137:sc= -0.0254 (180deg=-0.13) USER MOD Set 2.2: A 124 MET CE :methyl -135:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot -33:sc= 0.147 USER MOD Single : A 8 GLN : amide:sc= -0.0108 K(o=-0.011,f=-1.6!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0627) USER MOD Single : A 26 THR OG1 : rot 69:sc= 0.692 USER MOD Single : A 28 THR OG1 : rot -69:sc= 0.706 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 80:sc= 0.00301 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 ASN : amide:sc=-0.00948 X(o=-0.0095,f=-0.4) USER MOD Single : A 44 THR OG1 : rot -67:sc= 0.705 USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 51 MET CE :methyl -168:sc= 0 (180deg=-0.204) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 60 ASN : amide:sc= 0.285 K(o=0.28,f=-3.1) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl 169:sc= 0 (180deg=-0.217) USER MOD Single : A 72 MET CE :methyl 172:sc= 0 (180deg=-0.105) USER MOD Single : A 97 ASN : amide:sc= -0.157 K(o=-0.16,f=-1.9) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= -0.111 USER MOD Single : A 110 THR OG1 : rot -3:sc= 0.0764 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot -57:sc= 0.821 USER MOD Single : A 135 GLN : amide:sc= 0.562 K(o=0.56,f=0) USER MOD Single : A 137 ASN : amide:sc= -0.521 K(o=-0.52,f=-6.3!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 144 MET CE :methyl -110:sc=-0.00112 (180deg=-0.799) USER MOD Single : A 145 MET CE :methyl 170:sc=-0.00161 (180deg=-0.35) USER MOD ----------------------------------------------------------------- ATOM 58 N THR A 5 -14.951 18.266 1.038 1.00 0.00 N ATOM 59 CA THR A 5 -15.463 19.111 0.004 1.00 0.00 C ATOM 60 C THR A 5 -16.518 18.504 -0.855 1.00 0.00 C ATOM 61 O THR A 5 -16.543 17.284 -1.009 1.00 0.00 O ATOM 62 CB THR A 5 -14.387 19.559 -0.940 1.00 0.00 C ATOM 63 OG1 THR A 5 -13.525 18.508 -1.352 1.00 0.00 O ATOM 64 CG2 THR A 5 -13.536 20.601 -0.196 1.00 0.00 C ATOM 0 HA THR A 5 -15.895 19.934 0.572 1.00 0.00 H new ATOM 0 HB THR A 5 -14.869 19.952 -1.835 1.00 0.00 H new ATOM 0 HG1 THR A 5 -13.425 17.862 -0.622 1.00 0.00 H new ATOM 0 HG21 THR A 5 -12.739 20.954 -0.850 1.00 0.00 H new ATOM 0 HG22 THR A 5 -14.164 21.442 0.096 1.00 0.00 H new ATOM 0 HG23 THR A 5 -13.101 20.147 0.694 1.00 0.00 H new ATOM 72 N GLU A 6 -17.422 19.317 -1.431 1.00 0.00 N ATOM 73 CA GLU A 6 -18.481 18.903 -2.298 1.00 0.00 C ATOM 74 C GLU A 6 -18.120 18.063 -3.474 1.00 0.00 C ATOM 75 O GLU A 6 -18.747 17.035 -3.725 1.00 0.00 O ATOM 76 CB GLU A 6 -19.087 20.205 -2.848 1.00 0.00 C ATOM 77 CG GLU A 6 -20.384 20.001 -3.632 1.00 0.00 C ATOM 78 CD GLU A 6 -20.905 21.294 -4.242 1.00 0.00 C ATOM 79 OE1 GLU A 6 -20.155 21.862 -5.081 1.00 0.00 O ATOM 80 OE2 GLU A 6 -22.060 21.718 -3.972 1.00 0.00 O ATOM 0 H GLU A 6 -17.412 20.326 -1.281 1.00 0.00 H new ATOM 0 HA GLU A 6 -19.134 18.269 -1.698 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -19.279 20.884 -2.017 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -18.356 20.690 -3.494 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -20.215 19.271 -4.424 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -21.143 19.583 -2.970 1.00 0.00 H new ATOM 87 N GLU A 7 -16.997 18.383 -4.142 1.00 0.00 N ATOM 88 CA GLU A 7 -16.469 17.580 -5.201 1.00 0.00 C ATOM 89 C GLU A 7 -15.976 16.281 -4.663 1.00 0.00 C ATOM 90 O GLU A 7 -16.181 15.223 -5.256 1.00 0.00 O ATOM 91 CB GLU A 7 -15.246 18.241 -5.861 1.00 0.00 C ATOM 92 CG GLU A 7 -15.555 19.524 -6.634 1.00 0.00 C ATOM 93 CD GLU A 7 -14.325 20.410 -6.772 1.00 0.00 C ATOM 94 OE1 GLU A 7 -13.825 20.867 -5.709 1.00 0.00 O ATOM 95 OE2 GLU A 7 -13.955 20.748 -7.928 1.00 0.00 O ATOM 0 H GLU A 7 -16.444 19.217 -3.942 1.00 0.00 H new ATOM 0 HA GLU A 7 -17.278 17.453 -5.920 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -14.510 18.466 -5.089 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -14.785 17.525 -6.541 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -15.933 19.270 -7.624 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -16.345 20.075 -6.123 1.00 0.00 H new ATOM 102 N GLN A 8 -15.449 16.183 -3.430 1.00 0.00 N ATOM 103 CA GLN A 8 -15.011 14.934 -2.888 1.00 0.00 C ATOM 104 C GLN A 8 -16.205 14.112 -2.540 1.00 0.00 C ATOM 105 O GLN A 8 -16.107 12.924 -2.841 1.00 0.00 O ATOM 106 CB GLN A 8 -14.110 15.123 -1.656 1.00 0.00 C ATOM 107 CG GLN A 8 -12.703 15.444 -2.165 1.00 0.00 C ATOM 108 CD GLN A 8 -11.806 15.772 -0.980 1.00 0.00 C ATOM 109 OE1 GLN A 8 -12.159 15.401 0.138 1.00 0.00 O ATOM 110 NE2 GLN A 8 -10.603 16.374 -1.179 1.00 0.00 N ATOM 0 H GLN A 8 -15.325 16.977 -2.802 1.00 0.00 H new ATOM 0 HA GLN A 8 -14.412 14.423 -3.641 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -14.484 15.930 -1.027 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -14.101 14.221 -1.045 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -12.300 14.595 -2.717 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -12.736 16.287 -2.856 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -10.331 16.673 -2.115 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -9.972 16.526 -0.392 1.00 0.00 H new ATOM 119 N ILE A 9 -17.293 14.619 -1.933 1.00 0.00 N ATOM 120 CA ILE A 9 -18.430 13.864 -1.507 1.00 0.00 C ATOM 121 C ILE A 9 -19.066 13.276 -2.720 1.00 0.00 C ATOM 122 O ILE A 9 -19.325 12.079 -2.831 1.00 0.00 O ATOM 123 CB ILE A 9 -19.387 14.610 -0.625 1.00 0.00 C ATOM 124 CG1 ILE A 9 -18.697 15.089 0.663 1.00 0.00 C ATOM 125 CG2 ILE A 9 -20.513 13.642 -0.224 1.00 0.00 C ATOM 126 CD1 ILE A 9 -19.509 16.100 1.471 1.00 0.00 C ATOM 0 H ILE A 9 -17.383 15.614 -1.728 1.00 0.00 H new ATOM 0 HA ILE A 9 -18.090 13.067 -0.845 1.00 0.00 H new ATOM 0 HB ILE A 9 -19.764 15.477 -1.168 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -18.486 14.224 1.292 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -17.737 15.536 0.403 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -21.225 14.159 0.419 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -21.024 13.287 -1.119 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -20.089 12.793 0.313 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -18.951 16.386 2.363 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -19.698 16.984 0.862 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -20.458 15.652 1.765 1.00 0.00 H new ATOM 138 N ALA A 10 -19.261 14.055 -3.798 1.00 0.00 N ATOM 139 CA ALA A 10 -19.769 13.575 -5.046 1.00 0.00 C ATOM 140 C ALA A 10 -18.876 12.593 -5.722 1.00 0.00 C ATOM 141 O ALA A 10 -19.367 11.599 -6.255 1.00 0.00 O ATOM 142 CB ALA A 10 -19.910 14.796 -5.971 1.00 0.00 C ATOM 0 H ALA A 10 -19.058 15.055 -3.802 1.00 0.00 H new ATOM 0 HA ALA A 10 -20.710 13.062 -4.847 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -20.296 14.477 -6.939 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -20.599 15.513 -5.524 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -18.935 15.265 -6.106 1.00 0.00 H new ATOM 148 N GLU A 11 -17.538 12.687 -5.614 1.00 0.00 N ATOM 149 CA GLU A 11 -16.654 11.662 -6.076 1.00 0.00 C ATOM 150 C GLU A 11 -16.800 10.329 -5.426 1.00 0.00 C ATOM 151 O GLU A 11 -17.033 9.305 -6.066 1.00 0.00 O ATOM 152 CB GLU A 11 -15.228 12.195 -5.855 1.00 0.00 C ATOM 153 CG GLU A 11 -14.196 11.287 -6.526 1.00 0.00 C ATOM 154 CD GLU A 11 -14.206 11.512 -8.031 1.00 0.00 C ATOM 155 OE1 GLU A 11 -14.025 12.658 -8.521 1.00 0.00 O ATOM 156 OE2 GLU A 11 -14.425 10.490 -8.735 1.00 0.00 O ATOM 0 H GLU A 11 -17.062 13.488 -5.199 1.00 0.00 H new ATOM 0 HA GLU A 11 -16.898 11.467 -7.120 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -15.146 13.205 -6.258 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -15.021 12.260 -4.787 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -13.203 11.493 -6.126 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -14.419 10.243 -6.304 1.00 0.00 H new ATOM 163 N PHE A 12 -16.717 10.266 -4.086 1.00 0.00 N ATOM 164 CA PHE A 12 -17.131 9.121 -3.336 1.00 0.00 C ATOM 165 C PHE A 12 -18.433 8.497 -3.705 1.00 0.00 C ATOM 166 O PHE A 12 -18.547 7.277 -3.597 1.00 0.00 O ATOM 167 CB PHE A 12 -17.070 9.344 -1.815 1.00 0.00 C ATOM 168 CG PHE A 12 -15.753 9.761 -1.258 1.00 0.00 C ATOM 169 CD1 PHE A 12 -14.745 8.828 -1.205 1.00 0.00 C ATOM 170 CD2 PHE A 12 -15.507 10.983 -0.678 1.00 0.00 C ATOM 171 CE1 PHE A 12 -13.561 9.133 -0.576 1.00 0.00 C ATOM 172 CE2 PHE A 12 -14.308 11.296 -0.083 1.00 0.00 C ATOM 173 CZ PHE A 12 -13.322 10.344 0.032 1.00 0.00 C ATOM 0 H PHE A 12 -16.355 11.026 -3.511 1.00 0.00 H new ATOM 0 HA PHE A 12 -16.378 8.392 -3.636 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -17.808 10.102 -1.551 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -17.372 8.420 -1.322 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -14.883 7.857 -1.657 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -16.289 11.728 -0.690 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -12.781 8.386 -0.558 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -14.140 12.293 0.296 1.00 0.00 H new ATOM 0 HZ PHE A 12 -12.407 10.537 0.572 1.00 0.00 H new ATOM 183 N LYS A 13 -19.461 9.341 -3.905 1.00 0.00 N ATOM 184 CA LYS A 13 -20.825 9.008 -4.176 1.00 0.00 C ATOM 185 C LYS A 13 -21.080 8.362 -5.494 1.00 0.00 C ATOM 186 O LYS A 13 -21.751 7.335 -5.594 1.00 0.00 O ATOM 187 CB LYS A 13 -21.637 10.308 -4.046 1.00 0.00 C ATOM 188 CG LYS A 13 -23.122 9.952 -3.956 1.00 0.00 C ATOM 189 CD LYS A 13 -24.046 11.098 -3.542 1.00 0.00 C ATOM 190 CE LYS A 13 -24.157 12.312 -4.466 1.00 0.00 C ATOM 191 NZ LYS A 13 -24.964 13.389 -3.850 1.00 0.00 N ATOM 0 H LYS A 13 -19.322 10.351 -3.874 1.00 0.00 H new ATOM 0 HA LYS A 13 -21.126 8.248 -3.455 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -21.326 10.860 -3.159 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -21.455 10.955 -4.904 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -23.448 9.577 -4.926 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -23.240 9.136 -3.243 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -25.047 10.687 -3.412 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -23.718 11.453 -2.565 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -23.160 12.688 -4.696 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -24.610 12.011 -5.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -25.020 14.197 -4.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -25.922 13.036 -3.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -24.518 13.692 -2.961 1.00 0.00 H new ATOM 205 N GLU A 14 -20.528 8.827 -6.629 1.00 0.00 N ATOM 206 CA GLU A 14 -20.598 8.159 -7.892 1.00 0.00 C ATOM 207 C GLU A 14 -19.777 6.917 -7.942 1.00 0.00 C ATOM 208 O GLU A 14 -20.186 5.960 -8.597 1.00 0.00 O ATOM 209 CB GLU A 14 -20.226 9.092 -9.057 1.00 0.00 C ATOM 210 CG GLU A 14 -20.981 10.422 -9.117 1.00 0.00 C ATOM 211 CD GLU A 14 -22.460 10.269 -9.445 1.00 0.00 C ATOM 212 OE1 GLU A 14 -22.797 10.148 -10.653 1.00 0.00 O ATOM 213 OE2 GLU A 14 -23.304 10.372 -8.515 1.00 0.00 O ATOM 0 H GLU A 14 -20.011 9.705 -6.668 1.00 0.00 H new ATOM 0 HA GLU A 14 -21.641 7.862 -8.006 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -19.159 9.305 -9.000 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -20.395 8.558 -9.992 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -20.881 10.931 -8.158 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -20.515 11.061 -9.867 1.00 0.00 H new ATOM 220 N ALA A 15 -18.696 6.771 -7.155 1.00 0.00 N ATOM 221 CA ALA A 15 -17.942 5.576 -6.937 1.00 0.00 C ATOM 222 C ALA A 15 -18.806 4.555 -6.281 1.00 0.00 C ATOM 223 O ALA A 15 -18.843 3.370 -6.608 1.00 0.00 O ATOM 224 CB ALA A 15 -16.657 5.887 -6.152 1.00 0.00 C ATOM 0 H ALA A 15 -18.319 7.558 -6.627 1.00 0.00 H new ATOM 0 HA ALA A 15 -17.618 5.155 -7.889 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -16.095 4.966 -5.995 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -16.047 6.592 -6.717 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -16.916 6.323 -5.187 1.00 0.00 H new ATOM 230 N PHE A 16 -19.530 4.978 -5.229 1.00 0.00 N ATOM 231 CA PHE A 16 -20.370 4.113 -4.460 1.00 0.00 C ATOM 232 C PHE A 16 -21.431 3.466 -5.281 1.00 0.00 C ATOM 233 O PHE A 16 -21.660 2.264 -5.163 1.00 0.00 O ATOM 234 CB PHE A 16 -21.099 4.865 -3.333 1.00 0.00 C ATOM 235 CG PHE A 16 -21.625 3.988 -2.250 1.00 0.00 C ATOM 236 CD1 PHE A 16 -20.879 3.652 -1.145 1.00 0.00 C ATOM 237 CD2 PHE A 16 -22.904 3.504 -2.395 1.00 0.00 C ATOM 238 CE1 PHE A 16 -21.388 2.817 -0.179 1.00 0.00 C ATOM 239 CE2 PHE A 16 -23.400 2.646 -1.442 1.00 0.00 C ATOM 240 CZ PHE A 16 -22.688 2.382 -0.296 1.00 0.00 C ATOM 0 H PHE A 16 -19.531 5.945 -4.905 1.00 0.00 H new ATOM 0 HA PHE A 16 -19.690 3.364 -4.055 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -20.415 5.592 -2.895 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -21.928 5.427 -3.764 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -19.881 4.049 -1.035 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -23.508 3.793 -3.242 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -20.778 2.508 0.657 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -24.359 2.174 -1.595 1.00 0.00 H new ATOM 0 HZ PHE A 16 -23.149 1.833 0.512 1.00 0.00 H new ATOM 250 N SER A 17 -22.138 4.254 -6.112 1.00 0.00 N ATOM 251 CA SER A 17 -23.271 3.886 -6.903 1.00 0.00 C ATOM 252 C SER A 17 -22.925 3.045 -8.083 1.00 0.00 C ATOM 253 O SER A 17 -23.755 2.295 -8.596 1.00 0.00 O ATOM 254 CB SER A 17 -24.053 5.108 -7.415 1.00 0.00 C ATOM 255 OG SER A 17 -24.717 5.705 -6.310 1.00 0.00 O ATOM 0 H SER A 17 -21.893 5.236 -6.240 1.00 0.00 H new ATOM 0 HA SER A 17 -23.888 3.303 -6.219 1.00 0.00 H new ATOM 0 HB2 SER A 17 -23.377 5.823 -7.884 1.00 0.00 H new ATOM 0 HB3 SER A 17 -24.774 4.807 -8.174 1.00 0.00 H new ATOM 0 HG SER A 17 -25.221 6.488 -6.615 1.00 0.00 H new ATOM 261 N LEU A 18 -21.648 2.927 -8.486 1.00 0.00 N ATOM 262 CA LEU A 18 -21.110 1.895 -9.318 1.00 0.00 C ATOM 263 C LEU A 18 -21.021 0.552 -8.680 1.00 0.00 C ATOM 264 O LEU A 18 -20.868 -0.450 -9.376 1.00 0.00 O ATOM 265 CB LEU A 18 -19.686 2.256 -9.775 1.00 0.00 C ATOM 266 CG LEU A 18 -19.550 3.315 -10.882 1.00 0.00 C ATOM 267 CD1 LEU A 18 -18.074 3.709 -11.062 1.00 0.00 C ATOM 268 CD2 LEU A 18 -20.111 2.751 -12.198 1.00 0.00 C ATOM 0 H LEU A 18 -20.938 3.605 -8.209 1.00 0.00 H new ATOM 0 HA LEU A 18 -21.817 1.832 -10.145 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -19.130 2.604 -8.904 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -19.200 1.343 -10.119 1.00 0.00 H new ATOM 0 HG LEU A 18 -20.114 4.205 -10.600 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -17.991 4.459 -11.848 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -17.690 4.119 -10.128 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -17.493 2.829 -11.338 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -20.016 3.500 -12.985 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -19.553 1.858 -12.478 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -21.162 2.496 -12.065 1.00 0.00 H new ATOM 280 N PHE A 19 -21.020 0.455 -7.338 1.00 0.00 N ATOM 281 CA PHE A 19 -20.919 -0.822 -6.704 1.00 0.00 C ATOM 282 C PHE A 19 -22.226 -1.324 -6.192 1.00 0.00 C ATOM 283 O PHE A 19 -22.566 -2.502 -6.292 1.00 0.00 O ATOM 284 CB PHE A 19 -20.037 -0.718 -5.448 1.00 0.00 C ATOM 285 CG PHE A 19 -18.667 -0.196 -5.717 1.00 0.00 C ATOM 286 CD1 PHE A 19 -17.979 -0.319 -6.901 1.00 0.00 C ATOM 287 CD2 PHE A 19 -18.050 0.527 -4.724 1.00 0.00 C ATOM 288 CE1 PHE A 19 -16.737 0.223 -7.129 1.00 0.00 C ATOM 289 CE2 PHE A 19 -16.824 1.116 -4.928 1.00 0.00 C ATOM 290 CZ PHE A 19 -16.156 0.952 -6.118 1.00 0.00 C ATOM 0 H PHE A 19 -21.088 1.248 -6.700 1.00 0.00 H new ATOM 0 HA PHE A 19 -20.520 -1.488 -7.469 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -20.528 -0.068 -4.724 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -19.957 -1.703 -4.989 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -18.443 -0.876 -7.701 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -18.537 0.635 -3.766 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -16.233 0.081 -8.073 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -16.381 1.714 -4.145 1.00 0.00 H new ATOM 0 HZ PHE A 19 -15.180 1.393 -6.258 1.00 0.00 H new ATOM 300 N ASP A 20 -23.086 -0.380 -5.769 1.00 0.00 N ATOM 301 CA ASP A 20 -24.406 -0.619 -5.273 1.00 0.00 C ATOM 302 C ASP A 20 -25.310 -1.231 -6.286 1.00 0.00 C ATOM 303 O ASP A 20 -25.628 -0.472 -7.200 1.00 0.00 O ATOM 304 CB ASP A 20 -24.965 0.612 -4.539 1.00 0.00 C ATOM 305 CG ASP A 20 -26.068 0.187 -3.580 1.00 0.00 C ATOM 306 OD1 ASP A 20 -26.493 -1.000 -3.585 1.00 0.00 O ATOM 307 OD2 ASP A 20 -26.386 1.069 -2.738 1.00 0.00 O ATOM 0 H ASP A 20 -22.844 0.611 -5.774 1.00 0.00 H new ATOM 0 HA ASP A 20 -24.340 -1.393 -4.508 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -24.167 1.112 -3.990 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -25.355 1.330 -5.260 1.00 0.00 H new ATOM 312 N LYS A 21 -25.676 -2.525 -6.249 1.00 0.00 N ATOM 313 CA LYS A 21 -26.410 -3.217 -7.263 1.00 0.00 C ATOM 314 C LYS A 21 -27.812 -2.719 -7.345 1.00 0.00 C ATOM 315 O LYS A 21 -28.251 -2.298 -8.414 1.00 0.00 O ATOM 316 CB LYS A 21 -26.212 -4.739 -7.163 1.00 0.00 C ATOM 317 CG LYS A 21 -26.704 -5.622 -8.311 1.00 0.00 C ATOM 318 CD LYS A 21 -26.168 -7.052 -8.217 1.00 0.00 C ATOM 319 CE LYS A 21 -26.590 -7.853 -9.450 1.00 0.00 C ATOM 320 NZ LYS A 21 -25.788 -7.469 -10.633 1.00 0.00 N ATOM 0 H LYS A 21 -25.444 -3.126 -5.459 1.00 0.00 H new ATOM 0 HA LYS A 21 -26.001 -2.982 -8.246 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -25.146 -4.926 -7.036 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -26.705 -5.077 -6.252 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -27.794 -5.644 -8.307 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -26.397 -5.183 -9.261 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -25.081 -7.037 -8.138 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -26.547 -7.532 -7.315 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -26.469 -8.918 -9.255 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -27.648 -7.684 -9.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -25.959 -8.147 -11.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -26.062 -6.515 -10.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -24.778 -7.475 -10.385 1.00 0.00 H new ATOM 334 N ASP A 22 -28.565 -2.872 -6.241 1.00 0.00 N ATOM 335 CA ASP A 22 -29.922 -2.434 -6.131 1.00 0.00 C ATOM 336 C ASP A 22 -30.008 -0.967 -5.889 1.00 0.00 C ATOM 337 O ASP A 22 -31.031 -0.327 -6.130 1.00 0.00 O ATOM 338 CB ASP A 22 -30.661 -3.331 -5.123 1.00 0.00 C ATOM 339 CG ASP A 22 -30.126 -3.395 -3.700 1.00 0.00 C ATOM 340 OD1 ASP A 22 -29.105 -2.742 -3.356 1.00 0.00 O ATOM 341 OD2 ASP A 22 -30.715 -4.188 -2.917 1.00 0.00 O ATOM 0 H ASP A 22 -28.215 -3.318 -5.393 1.00 0.00 H new ATOM 0 HA ASP A 22 -30.447 -2.556 -7.078 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -31.698 -2.997 -5.076 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -30.671 -4.345 -5.522 1.00 0.00 H new ATOM 346 N GLY A 23 -28.966 -0.269 -5.404 1.00 0.00 N ATOM 347 CA GLY A 23 -28.918 1.140 -5.163 1.00 0.00 C ATOM 348 C GLY A 23 -29.646 1.552 -3.930 1.00 0.00 C ATOM 349 O GLY A 23 -30.359 2.554 -3.915 1.00 0.00 O ATOM 0 H GLY A 23 -28.088 -0.728 -5.162 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -27.877 1.453 -5.084 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -29.343 1.663 -6.020 1.00 0.00 H new ATOM 353 N ASP A 24 -29.513 0.742 -2.865 1.00 0.00 N ATOM 354 CA ASP A 24 -30.114 0.969 -1.587 1.00 0.00 C ATOM 355 C ASP A 24 -29.376 1.951 -0.744 1.00 0.00 C ATOM 356 O ASP A 24 -30.076 2.739 -0.110 1.00 0.00 O ATOM 357 CB ASP A 24 -30.452 -0.371 -0.913 1.00 0.00 C ATOM 358 CG ASP A 24 -29.274 -1.111 -0.294 1.00 0.00 C ATOM 359 OD1 ASP A 24 -28.130 -1.091 -0.821 1.00 0.00 O ATOM 360 OD2 ASP A 24 -29.497 -1.682 0.806 1.00 0.00 O ATOM 0 H ASP A 24 -28.959 -0.114 -2.897 1.00 0.00 H new ATOM 0 HA ASP A 24 -31.066 1.477 -1.739 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -31.193 -0.189 -0.135 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -30.919 -1.022 -1.652 1.00 0.00 H new ATOM 365 N GLY A 25 -28.031 1.931 -0.738 1.00 0.00 N ATOM 366 CA GLY A 25 -27.209 2.660 0.177 1.00 0.00 C ATOM 367 C GLY A 25 -26.338 1.733 0.953 1.00 0.00 C ATOM 368 O GLY A 25 -25.580 2.285 1.749 1.00 0.00 O ATOM 0 H GLY A 25 -27.491 1.379 -1.404 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -26.593 3.375 -0.369 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -27.836 3.235 0.859 1.00 0.00 H new ATOM 372 N THR A 26 -26.246 0.420 0.679 1.00 0.00 N ATOM 373 CA THR A 26 -25.460 -0.446 1.502 1.00 0.00 C ATOM 374 C THR A 26 -24.748 -1.394 0.600 1.00 0.00 C ATOM 375 O THR A 26 -25.333 -1.877 -0.368 1.00 0.00 O ATOM 376 CB THR A 26 -26.144 -1.166 2.626 1.00 0.00 C ATOM 377 OG1 THR A 26 -27.526 -0.856 2.732 1.00 0.00 O ATOM 378 CG2 THR A 26 -25.454 -0.547 3.854 1.00 0.00 C ATOM 0 H THR A 26 -26.711 -0.039 -0.104 1.00 0.00 H new ATOM 0 HA THR A 26 -24.785 0.208 2.054 1.00 0.00 H new ATOM 0 HB THR A 26 -26.077 -2.247 2.505 1.00 0.00 H new ATOM 0 HG1 THR A 26 -28.006 -1.236 1.967 1.00 0.00 H new ATOM 0 HG21 THR A 26 -25.863 -0.989 4.763 1.00 0.00 H new ATOM 0 HG22 THR A 26 -24.383 -0.742 3.806 1.00 0.00 H new ATOM 0 HG23 THR A 26 -25.626 0.529 3.864 1.00 0.00 H new ATOM 386 N ILE A 27 -23.537 -1.810 1.013 1.00 0.00 N ATOM 387 CA ILE A 27 -22.755 -2.694 0.207 1.00 0.00 C ATOM 388 C ILE A 27 -22.801 -3.988 0.944 1.00 0.00 C ATOM 389 O ILE A 27 -22.363 -4.171 2.078 1.00 0.00 O ATOM 390 CB ILE A 27 -21.324 -2.338 -0.069 1.00 0.00 C ATOM 391 CG1 ILE A 27 -21.197 -0.865 -0.492 1.00 0.00 C ATOM 392 CG2 ILE A 27 -20.795 -3.216 -1.215 1.00 0.00 C ATOM 393 CD1 ILE A 27 -19.749 -0.382 -0.568 1.00 0.00 C ATOM 0 H ILE A 27 -23.104 -1.538 1.895 1.00 0.00 H new ATOM 0 HA ILE A 27 -23.185 -2.679 -0.794 1.00 0.00 H new ATOM 0 HB ILE A 27 -20.749 -2.501 0.843 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -21.669 -0.731 -1.465 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -21.744 -0.242 0.216 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -19.755 -2.961 -1.419 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -20.861 -4.266 -0.930 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -21.393 -3.045 -2.110 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -19.730 0.665 -0.872 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -19.279 -0.484 0.410 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -19.203 -0.981 -1.297 1.00 0.00 H new ATOM 405 N THR A 28 -23.308 -5.069 0.324 1.00 0.00 N ATOM 406 CA THR A 28 -23.297 -6.406 0.833 1.00 0.00 C ATOM 407 C THR A 28 -22.086 -7.182 0.447 1.00 0.00 C ATOM 408 O THR A 28 -21.217 -6.704 -0.281 1.00 0.00 O ATOM 409 CB THR A 28 -24.575 -7.084 0.437 1.00 0.00 C ATOM 410 OG1 THR A 28 -24.613 -7.348 -0.958 1.00 0.00 O ATOM 411 CG2 THR A 28 -25.868 -6.396 0.905 1.00 0.00 C ATOM 0 H THR A 28 -23.754 -5.004 -0.591 1.00 0.00 H new ATOM 0 HA THR A 28 -23.239 -6.358 1.920 1.00 0.00 H new ATOM 0 HB THR A 28 -24.554 -8.027 0.984 1.00 0.00 H new ATOM 0 HG1 THR A 28 -24.695 -6.504 -1.449 1.00 0.00 H new ATOM 0 HG21 THR A 28 -26.730 -6.970 0.564 1.00 0.00 H new ATOM 0 HG22 THR A 28 -25.877 -6.340 1.994 1.00 0.00 H new ATOM 0 HG23 THR A 28 -25.915 -5.389 0.490 1.00 0.00 H new ATOM 419 N THR A 29 -22.021 -8.471 0.826 1.00 0.00 N ATOM 420 CA THR A 29 -20.899 -9.293 0.495 1.00 0.00 C ATOM 421 C THR A 29 -20.823 -9.794 -0.906 1.00 0.00 C ATOM 422 O THR A 29 -19.743 -10.085 -1.419 1.00 0.00 O ATOM 423 CB THR A 29 -20.809 -10.487 1.399 1.00 0.00 C ATOM 424 OG1 THR A 29 -21.150 -10.191 2.745 1.00 0.00 O ATOM 425 CG2 THR A 29 -19.323 -10.853 1.550 1.00 0.00 C ATOM 0 H THR A 29 -22.747 -8.945 1.363 1.00 0.00 H new ATOM 0 HA THR A 29 -20.065 -8.603 0.627 1.00 0.00 H new ATOM 0 HB THR A 29 -21.464 -11.241 0.963 1.00 0.00 H new ATOM 0 HG1 THR A 29 -21.076 -11.004 3.288 1.00 0.00 H new ATOM 0 HG21 THR A 29 -19.226 -11.720 2.204 1.00 0.00 H new ATOM 0 HG22 THR A 29 -18.905 -11.088 0.571 1.00 0.00 H new ATOM 0 HG23 THR A 29 -18.783 -10.011 1.982 1.00 0.00 H new ATOM 433 N LYS A 30 -21.982 -9.877 -1.582 1.00 0.00 N ATOM 434 CA LYS A 30 -22.184 -10.167 -2.968 1.00 0.00 C ATOM 435 C LYS A 30 -21.634 -9.053 -3.791 1.00 0.00 C ATOM 436 O LYS A 30 -20.896 -9.220 -4.760 1.00 0.00 O ATOM 437 CB LYS A 30 -23.681 -10.225 -3.318 1.00 0.00 C ATOM 438 CG LYS A 30 -24.394 -11.206 -2.386 1.00 0.00 C ATOM 439 CD LYS A 30 -25.878 -11.409 -2.699 1.00 0.00 C ATOM 440 CE LYS A 30 -26.379 -12.743 -2.141 1.00 0.00 C ATOM 441 NZ LYS A 30 -27.817 -12.997 -2.378 1.00 0.00 N ATOM 0 H LYS A 30 -22.870 -9.724 -1.105 1.00 0.00 H new ATOM 0 HA LYS A 30 -21.699 -11.123 -3.166 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -24.124 -9.234 -3.225 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -23.810 -10.536 -4.355 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -23.889 -12.170 -2.438 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -24.297 -10.850 -1.360 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -26.458 -10.591 -2.272 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -26.033 -11.381 -3.778 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -25.800 -13.551 -2.588 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -26.189 -12.770 -1.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -28.079 -13.918 -1.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -28.381 -12.247 -1.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -28.004 -13.005 -3.401 1.00 0.00 H new ATOM 455 N GLU A 31 -21.929 -7.829 -3.318 1.00 0.00 N ATOM 456 CA GLU A 31 -21.540 -6.577 -3.889 1.00 0.00 C ATOM 457 C GLU A 31 -20.100 -6.267 -3.660 1.00 0.00 C ATOM 458 O GLU A 31 -19.509 -5.671 -4.560 1.00 0.00 O ATOM 459 CB GLU A 31 -22.380 -5.423 -3.316 1.00 0.00 C ATOM 460 CG GLU A 31 -23.803 -5.553 -3.861 1.00 0.00 C ATOM 461 CD GLU A 31 -24.667 -4.516 -3.157 1.00 0.00 C ATOM 462 OE1 GLU A 31 -24.698 -4.623 -1.902 1.00 0.00 O ATOM 463 OE2 GLU A 31 -25.467 -3.717 -3.712 1.00 0.00 O ATOM 0 H GLU A 31 -22.483 -7.707 -2.470 1.00 0.00 H new ATOM 0 HA GLU A 31 -21.711 -6.673 -4.961 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -22.385 -5.461 -2.227 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -21.950 -4.462 -3.600 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -23.815 -5.392 -4.939 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -24.190 -6.557 -3.684 1.00 0.00 H new ATOM 470 N LEU A 32 -19.500 -6.676 -2.528 1.00 0.00 N ATOM 471 CA LEU A 32 -18.091 -6.526 -2.342 1.00 0.00 C ATOM 472 C LEU A 32 -17.352 -7.545 -3.140 1.00 0.00 C ATOM 473 O LEU A 32 -16.301 -7.352 -3.748 1.00 0.00 O ATOM 474 CB LEU A 32 -17.650 -6.929 -0.925 1.00 0.00 C ATOM 475 CG LEU A 32 -17.832 -5.956 0.252 1.00 0.00 C ATOM 476 CD1 LEU A 32 -17.241 -6.522 1.553 1.00 0.00 C ATOM 477 CD2 LEU A 32 -17.088 -4.675 -0.161 1.00 0.00 C ATOM 0 H LEU A 32 -19.989 -7.109 -1.744 1.00 0.00 H new ATOM 0 HA LEU A 32 -17.890 -5.485 -2.595 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -18.182 -7.846 -0.670 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -16.590 -7.179 -0.976 1.00 0.00 H new ATOM 0 HG LEU A 32 -18.888 -5.776 0.453 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -17.389 -5.806 2.361 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -17.740 -7.459 1.802 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -16.174 -6.703 1.420 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -17.174 -3.932 0.632 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -16.036 -4.904 -0.331 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -17.526 -4.279 -1.078 1.00 0.00 H new ATOM 489 N GLY A 33 -17.878 -8.779 -3.249 1.00 0.00 N ATOM 490 CA GLY A 33 -17.785 -9.586 -4.426 1.00 0.00 C ATOM 491 C GLY A 33 -17.603 -8.896 -5.733 1.00 0.00 C ATOM 492 O GLY A 33 -16.656 -9.222 -6.448 1.00 0.00 O ATOM 0 H GLY A 33 -18.387 -9.231 -2.489 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -16.951 -10.276 -4.293 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -18.691 -10.189 -4.490 1.00 0.00 H new ATOM 496 N THR A 34 -18.509 -8.013 -6.190 1.00 0.00 N ATOM 497 CA THR A 34 -18.443 -7.376 -7.468 1.00 0.00 C ATOM 498 C THR A 34 -17.200 -6.558 -7.549 1.00 0.00 C ATOM 499 O THR A 34 -16.542 -6.515 -8.587 1.00 0.00 O ATOM 500 CB THR A 34 -19.551 -6.381 -7.651 1.00 0.00 C ATOM 501 OG1 THR A 34 -20.781 -7.073 -7.500 1.00 0.00 O ATOM 502 CG2 THR A 34 -19.550 -5.525 -8.929 1.00 0.00 C ATOM 0 H THR A 34 -19.323 -7.731 -5.644 1.00 0.00 H new ATOM 0 HA THR A 34 -18.494 -8.171 -8.212 1.00 0.00 H new ATOM 0 HB THR A 34 -19.389 -5.624 -6.884 1.00 0.00 H new ATOM 0 HG1 THR A 34 -21.525 -6.446 -7.613 1.00 0.00 H new ATOM 0 HG21 THR A 34 -20.410 -4.855 -8.919 1.00 0.00 H new ATOM 0 HG22 THR A 34 -18.633 -4.938 -8.973 1.00 0.00 H new ATOM 0 HG23 THR A 34 -19.607 -6.175 -9.802 1.00 0.00 H new ATOM 510 N VAL A 35 -16.758 -5.928 -6.445 1.00 0.00 N ATOM 511 CA VAL A 35 -15.611 -5.079 -6.355 1.00 0.00 C ATOM 512 C VAL A 35 -14.346 -5.831 -6.586 1.00 0.00 C ATOM 513 O VAL A 35 -13.656 -5.451 -7.530 1.00 0.00 O ATOM 514 CB VAL A 35 -15.551 -4.295 -5.077 1.00 0.00 C ATOM 515 CG1 VAL A 35 -14.287 -3.445 -4.866 1.00 0.00 C ATOM 516 CG2 VAL A 35 -16.796 -3.391 -5.077 1.00 0.00 C ATOM 0 H VAL A 35 -17.239 -6.020 -5.550 1.00 0.00 H new ATOM 0 HA VAL A 35 -15.721 -4.350 -7.157 1.00 0.00 H new ATOM 0 HB VAL A 35 -15.520 -5.008 -4.253 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -14.354 -2.924 -3.911 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -13.410 -4.092 -4.865 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -14.200 -2.716 -5.672 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -16.810 -2.791 -4.167 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -16.767 -2.732 -5.945 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -17.694 -4.008 -5.119 1.00 0.00 H new ATOM 526 N MET A 36 -14.145 -6.946 -5.861 1.00 0.00 N ATOM 527 CA MET A 36 -13.081 -7.863 -6.126 1.00 0.00 C ATOM 528 C MET A 36 -13.207 -8.466 -7.483 1.00 0.00 C ATOM 529 O MET A 36 -12.208 -8.510 -8.199 1.00 0.00 O ATOM 530 CB MET A 36 -12.963 -8.943 -5.037 1.00 0.00 C ATOM 531 CG MET A 36 -12.964 -8.365 -3.621 1.00 0.00 C ATOM 532 SD MET A 36 -12.076 -6.828 -3.226 1.00 0.00 S ATOM 533 CE MET A 36 -10.324 -7.280 -3.377 1.00 0.00 C ATOM 0 H MET A 36 -14.735 -7.216 -5.074 1.00 0.00 H new ATOM 0 HA MET A 36 -12.154 -7.290 -6.105 1.00 0.00 H new ATOM 0 HB2 MET A 36 -13.791 -9.645 -5.138 1.00 0.00 H new ATOM 0 HB3 MET A 36 -12.044 -9.509 -5.192 1.00 0.00 H new ATOM 0 HG2 MET A 36 -14.006 -8.210 -3.342 1.00 0.00 H new ATOM 0 HG3 MET A 36 -12.569 -9.138 -2.962 1.00 0.00 H new ATOM 0 HE1 MET A 36 -9.704 -6.411 -3.156 1.00 0.00 H new ATOM 0 HE2 MET A 36 -10.093 -8.080 -2.673 1.00 0.00 H new ATOM 0 HE3 MET A 36 -10.122 -7.621 -4.393 1.00 0.00 H new ATOM 543 N ARG A 37 -14.342 -8.998 -7.970 1.00 0.00 N ATOM 544 CA ARG A 37 -14.440 -9.626 -9.251 1.00 0.00 C ATOM 545 C ARG A 37 -14.229 -8.759 -10.445 1.00 0.00 C ATOM 546 O ARG A 37 -13.596 -9.175 -11.414 1.00 0.00 O ATOM 547 CB ARG A 37 -15.692 -10.482 -9.505 1.00 0.00 C ATOM 548 CG ARG A 37 -15.994 -11.522 -8.424 1.00 0.00 C ATOM 549 CD ARG A 37 -15.695 -12.975 -8.800 1.00 0.00 C ATOM 550 NE ARG A 37 -16.536 -13.308 -9.984 1.00 0.00 N ATOM 551 CZ ARG A 37 -17.217 -14.467 -10.223 1.00 0.00 C ATOM 552 NH1 ARG A 37 -17.443 -15.484 -9.341 1.00 0.00 N ATOM 553 NH2 ARG A 37 -17.860 -14.599 -11.419 1.00 0.00 N ATOM 0 H ARG A 37 -15.222 -8.991 -7.454 1.00 0.00 H new ATOM 0 HA ARG A 37 -13.579 -10.287 -9.151 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -16.553 -9.820 -9.602 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -15.575 -10.995 -10.459 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -15.419 -11.271 -7.533 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -17.048 -11.445 -8.155 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -14.638 -13.102 -9.032 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -15.921 -13.642 -7.968 1.00 0.00 H new ATOM 0 HE ARG A 37 -16.612 -12.585 -10.700 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -17.086 -15.421 -8.388 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -17.969 -16.307 -9.635 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -17.823 -13.844 -12.104 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -18.378 -15.453 -11.628 1.00 0.00 H new ATOM 567 N SER A 38 -14.576 -7.460 -10.430 1.00 0.00 N ATOM 568 CA SER A 38 -14.194 -6.551 -11.466 1.00 0.00 C ATOM 569 C SER A 38 -12.771 -6.119 -11.561 1.00 0.00 C ATOM 570 O SER A 38 -12.272 -5.687 -12.599 1.00 0.00 O ATOM 571 CB SER A 38 -15.043 -5.270 -11.429 1.00 0.00 C ATOM 572 OG SER A 38 -16.407 -5.571 -11.685 1.00 0.00 O ATOM 0 H SER A 38 -15.130 -7.034 -9.687 1.00 0.00 H new ATOM 0 HA SER A 38 -14.368 -7.175 -12.343 1.00 0.00 H new ATOM 0 HB2 SER A 38 -14.947 -4.791 -10.455 1.00 0.00 H new ATOM 0 HB3 SER A 38 -14.675 -4.561 -12.171 1.00 0.00 H new ATOM 0 HG SER A 38 -16.826 -5.911 -10.867 1.00 0.00 H new ATOM 578 N LEU A 39 -11.966 -6.393 -10.519 1.00 0.00 N ATOM 579 CA LEU A 39 -10.539 -6.340 -10.603 1.00 0.00 C ATOM 580 C LEU A 39 -9.944 -7.602 -11.124 1.00 0.00 C ATOM 581 O LEU A 39 -8.736 -7.690 -11.338 1.00 0.00 O ATOM 582 CB LEU A 39 -9.829 -5.950 -9.296 1.00 0.00 C ATOM 583 CG LEU A 39 -10.369 -4.690 -8.598 1.00 0.00 C ATOM 584 CD1 LEU A 39 -9.550 -4.428 -7.323 1.00 0.00 C ATOM 585 CD2 LEU A 39 -10.176 -3.492 -9.542 1.00 0.00 C ATOM 0 H LEU A 39 -12.314 -6.657 -9.597 1.00 0.00 H new ATOM 0 HA LEU A 39 -10.365 -5.535 -11.317 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -9.899 -6.787 -8.601 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.770 -5.801 -9.509 1.00 0.00 H new ATOM 0 HG LEU A 39 -11.421 -4.826 -8.349 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -9.929 -3.536 -6.824 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -9.637 -5.283 -6.653 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -8.503 -4.279 -7.587 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -10.553 -2.588 -9.064 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -9.116 -3.370 -9.763 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -10.722 -3.668 -10.469 1.00 0.00 H new ATOM 597 N GLY A 40 -10.728 -8.682 -11.294 1.00 0.00 N ATOM 598 CA GLY A 40 -10.214 -9.960 -11.679 1.00 0.00 C ATOM 599 C GLY A 40 -9.834 -10.890 -10.578 1.00 0.00 C ATOM 600 O GLY A 40 -9.271 -11.960 -10.803 1.00 0.00 O ATOM 0 H GLY A 40 -11.739 -8.667 -11.161 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -10.962 -10.455 -12.299 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.337 -9.799 -12.306 1.00 0.00 H new ATOM 604 N GLN A 41 -10.172 -10.584 -9.313 1.00 0.00 N ATOM 605 CA GLN A 41 -9.856 -11.437 -8.209 1.00 0.00 C ATOM 606 C GLN A 41 -10.916 -12.459 -7.980 1.00 0.00 C ATOM 607 O GLN A 41 -12.096 -12.221 -8.234 1.00 0.00 O ATOM 608 CB GLN A 41 -9.416 -10.672 -6.949 1.00 0.00 C ATOM 609 CG GLN A 41 -8.198 -9.797 -7.253 1.00 0.00 C ATOM 610 CD GLN A 41 -7.627 -9.048 -6.057 1.00 0.00 C ATOM 611 OE1 GLN A 41 -7.666 -7.819 -6.083 1.00 0.00 O ATOM 612 NE2 GLN A 41 -7.050 -9.673 -4.996 1.00 0.00 N ATOM 0 H GLN A 41 -10.671 -9.734 -9.052 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.964 -12.000 -8.486 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -10.236 -10.052 -6.588 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -9.175 -11.377 -6.153 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -7.415 -10.426 -7.676 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.473 -9.072 -8.019 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -7.012 -10.692 -4.963 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -6.656 -9.123 -4.233 1.00 0.00 H new ATOM 621 N ASN A 42 -10.484 -13.608 -7.432 1.00 0.00 N ATOM 622 CA ASN A 42 -11.408 -14.574 -6.923 1.00 0.00 C ATOM 623 C ASN A 42 -11.363 -14.424 -5.441 1.00 0.00 C ATOM 624 O ASN A 42 -10.413 -14.918 -4.835 1.00 0.00 O ATOM 625 CB ASN A 42 -11.043 -16.041 -7.203 1.00 0.00 C ATOM 626 CG ASN A 42 -11.205 -16.348 -8.685 1.00 0.00 C ATOM 627 OD1 ASN A 42 -12.257 -16.071 -9.258 1.00 0.00 O ATOM 628 ND2 ASN A 42 -10.173 -16.965 -9.320 1.00 0.00 N ATOM 0 H ASN A 42 -9.502 -13.868 -7.341 1.00 0.00 H new ATOM 0 HA ASN A 42 -12.369 -14.387 -7.403 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -10.015 -16.233 -6.894 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -11.681 -16.701 -6.615 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -10.256 -17.214 -10.306 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -9.315 -17.179 -8.811 1.00 0.00 H new ATOM 635 N PRO A 43 -12.191 -13.729 -4.719 1.00 0.00 N ATOM 636 CA PRO A 43 -12.288 -13.754 -3.288 1.00 0.00 C ATOM 637 C PRO A 43 -12.936 -14.957 -2.696 1.00 0.00 C ATOM 638 O PRO A 43 -13.679 -15.703 -3.332 1.00 0.00 O ATOM 639 CB PRO A 43 -13.096 -12.492 -2.995 1.00 0.00 C ATOM 640 CG PRO A 43 -14.154 -12.469 -4.109 1.00 0.00 C ATOM 641 CD PRO A 43 -13.296 -12.969 -5.283 1.00 0.00 C ATOM 0 HA PRO A 43 -11.297 -13.794 -2.837 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -13.555 -12.531 -2.007 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -12.469 -11.601 -3.020 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -14.999 -13.125 -3.898 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -14.560 -11.472 -4.281 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -13.888 -13.592 -5.954 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -12.924 -12.130 -5.872 1.00 0.00 H new ATOM 649 N THR A 44 -12.737 -15.102 -1.373 1.00 0.00 N ATOM 650 CA THR A 44 -13.487 -16.069 -0.633 1.00 0.00 C ATOM 651 C THR A 44 -14.294 -15.329 0.378 1.00 0.00 C ATOM 652 O THR A 44 -13.892 -14.281 0.881 1.00 0.00 O ATOM 653 CB THR A 44 -12.683 -17.204 -0.072 1.00 0.00 C ATOM 654 OG1 THR A 44 -11.924 -16.986 1.109 1.00 0.00 O ATOM 655 CG2 THR A 44 -11.859 -17.906 -1.164 1.00 0.00 C ATOM 0 H THR A 44 -12.069 -14.560 -0.824 1.00 0.00 H new ATOM 0 HA THR A 44 -14.150 -16.600 -1.316 1.00 0.00 H new ATOM 0 HB THR A 44 -13.464 -17.868 0.298 1.00 0.00 H new ATOM 0 HG1 THR A 44 -11.193 -16.362 0.918 1.00 0.00 H new ATOM 0 HG21 THR A 44 -11.289 -18.723 -0.721 1.00 0.00 H new ATOM 0 HG22 THR A 44 -12.529 -18.303 -1.927 1.00 0.00 H new ATOM 0 HG23 THR A 44 -11.174 -17.191 -1.619 1.00 0.00 H new ATOM 663 N GLU A 45 -15.414 -16.003 0.693 1.00 0.00 N ATOM 664 CA GLU A 45 -16.411 -15.685 1.668 1.00 0.00 C ATOM 665 C GLU A 45 -15.833 -15.514 3.031 1.00 0.00 C ATOM 666 O GLU A 45 -16.202 -14.493 3.609 1.00 0.00 O ATOM 667 CB GLU A 45 -17.479 -16.791 1.713 1.00 0.00 C ATOM 668 CG GLU A 45 -18.101 -17.281 0.404 1.00 0.00 C ATOM 669 CD GLU A 45 -17.327 -18.314 -0.401 1.00 0.00 C ATOM 670 OE1 GLU A 45 -16.210 -18.001 -0.893 1.00 0.00 O ATOM 671 OE2 GLU A 45 -17.799 -19.475 -0.531 1.00 0.00 O ATOM 0 H GLU A 45 -15.644 -16.870 0.207 1.00 0.00 H new ATOM 0 HA GLU A 45 -16.859 -14.738 1.368 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -17.036 -17.655 2.209 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -18.290 -16.438 2.350 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -19.081 -17.700 0.634 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -18.267 -16.413 -0.234 1.00 0.00 H new ATOM 678 N ALA A 46 -15.021 -16.448 3.557 1.00 0.00 N ATOM 679 CA ALA A 46 -14.462 -16.278 4.863 1.00 0.00 C ATOM 680 C ALA A 46 -13.469 -15.178 5.020 1.00 0.00 C ATOM 681 O ALA A 46 -13.500 -14.453 6.013 1.00 0.00 O ATOM 682 CB ALA A 46 -13.896 -17.567 5.481 1.00 0.00 C ATOM 0 H ALA A 46 -14.753 -17.312 3.085 1.00 0.00 H new ATOM 0 HA ALA A 46 -15.348 -15.976 5.421 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -13.492 -17.350 6.470 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -14.691 -18.308 5.568 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -13.103 -17.959 4.844 1.00 0.00 H new ATOM 688 N GLU A 47 -12.587 -14.924 4.037 1.00 0.00 N ATOM 689 CA GLU A 47 -11.767 -13.769 3.839 1.00 0.00 C ATOM 690 C GLU A 47 -12.581 -12.523 3.770 1.00 0.00 C ATOM 691 O GLU A 47 -12.217 -11.575 4.464 1.00 0.00 O ATOM 692 CB GLU A 47 -10.793 -13.906 2.657 1.00 0.00 C ATOM 693 CG GLU A 47 -9.754 -15.010 2.866 1.00 0.00 C ATOM 694 CD GLU A 47 -8.988 -15.460 1.630 1.00 0.00 C ATOM 695 OE1 GLU A 47 -9.570 -15.464 0.512 1.00 0.00 O ATOM 696 OE2 GLU A 47 -7.782 -15.800 1.762 1.00 0.00 O ATOM 0 H GLU A 47 -12.434 -15.610 3.297 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.133 -13.690 4.722 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.359 -14.114 1.749 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -10.281 -12.956 2.503 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -9.034 -14.665 3.608 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -10.258 -15.878 3.290 1.00 0.00 H new ATOM 703 N LEU A 48 -13.693 -12.445 3.016 1.00 0.00 N ATOM 704 CA LEU A 48 -14.479 -11.255 2.910 1.00 0.00 C ATOM 705 C LEU A 48 -15.068 -11.022 4.258 1.00 0.00 C ATOM 706 O LEU A 48 -15.147 -9.918 4.795 1.00 0.00 O ATOM 707 CB LEU A 48 -15.613 -11.484 1.896 1.00 0.00 C ATOM 708 CG LEU A 48 -15.197 -11.071 0.474 1.00 0.00 C ATOM 709 CD1 LEU A 48 -16.236 -11.584 -0.538 1.00 0.00 C ATOM 710 CD2 LEU A 48 -14.917 -9.576 0.250 1.00 0.00 C ATOM 0 H LEU A 48 -14.053 -13.226 2.468 1.00 0.00 H new ATOM 0 HA LEU A 48 -13.879 -10.407 2.581 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -15.898 -12.536 1.901 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -16.492 -10.914 2.198 1.00 0.00 H new ATOM 0 HG LEU A 48 -14.226 -11.542 0.320 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -15.939 -11.290 -1.545 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -16.295 -12.671 -0.480 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -17.211 -11.155 -0.307 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -14.633 -9.411 -0.789 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -15.814 -9.000 0.477 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -14.105 -9.256 0.903 1.00 0.00 H new ATOM 722 N GLN A 49 -15.568 -12.066 4.943 1.00 0.00 N ATOM 723 CA GLN A 49 -16.226 -11.923 6.205 1.00 0.00 C ATOM 724 C GLN A 49 -15.340 -11.381 7.273 1.00 0.00 C ATOM 725 O GLN A 49 -15.758 -10.659 8.176 1.00 0.00 O ATOM 726 CB GLN A 49 -16.827 -13.271 6.636 1.00 0.00 C ATOM 727 CG GLN A 49 -17.829 -13.310 7.792 1.00 0.00 C ATOM 728 CD GLN A 49 -18.319 -14.727 8.050 1.00 0.00 C ATOM 729 OE1 GLN A 49 -17.846 -15.682 7.436 1.00 0.00 O ATOM 730 NE2 GLN A 49 -19.277 -14.858 9.007 1.00 0.00 N ATOM 0 H GLN A 49 -15.514 -13.030 4.613 1.00 0.00 H new ATOM 0 HA GLN A 49 -17.020 -11.190 6.067 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -17.316 -13.705 5.764 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -15.999 -13.930 6.898 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -17.363 -12.914 8.694 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -18.678 -12.665 7.563 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -19.635 -14.032 9.486 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -19.637 -15.782 9.245 1.00 0.00 H new ATOM 739 N ASP A 50 -14.054 -11.777 7.268 1.00 0.00 N ATOM 740 CA ASP A 50 -12.987 -11.326 8.105 1.00 0.00 C ATOM 741 C ASP A 50 -12.709 -9.881 7.868 1.00 0.00 C ATOM 742 O ASP A 50 -12.493 -9.109 8.801 1.00 0.00 O ATOM 743 CB ASP A 50 -11.742 -12.181 7.815 1.00 0.00 C ATOM 744 CG ASP A 50 -10.754 -12.101 8.970 1.00 0.00 C ATOM 745 OD1 ASP A 50 -11.155 -12.449 10.113 1.00 0.00 O ATOM 746 OD2 ASP A 50 -9.561 -11.796 8.705 1.00 0.00 O ATOM 0 H ASP A 50 -13.733 -12.486 6.609 1.00 0.00 H new ATOM 0 HA ASP A 50 -13.267 -11.436 9.153 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -12.036 -13.218 7.653 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -11.265 -11.838 6.897 1.00 0.00 H new ATOM 751 N MET A 51 -12.695 -9.434 6.600 1.00 0.00 N ATOM 752 CA MET A 51 -12.487 -8.091 6.153 1.00 0.00 C ATOM 753 C MET A 51 -13.444 -7.114 6.743 1.00 0.00 C ATOM 754 O MET A 51 -13.079 -6.032 7.200 1.00 0.00 O ATOM 755 CB MET A 51 -12.627 -7.958 4.628 1.00 0.00 C ATOM 756 CG MET A 51 -12.351 -6.555 4.085 1.00 0.00 C ATOM 757 SD MET A 51 -12.838 -6.408 2.339 1.00 0.00 S ATOM 758 CE MET A 51 -11.471 -7.369 1.628 1.00 0.00 C ATOM 0 H MET A 51 -12.843 -10.072 5.818 1.00 0.00 H new ATOM 0 HA MET A 51 -11.472 -7.864 6.480 1.00 0.00 H new ATOM 0 HB2 MET A 51 -11.943 -8.660 4.151 1.00 0.00 H new ATOM 0 HB3 MET A 51 -13.637 -8.252 4.342 1.00 0.00 H new ATOM 0 HG2 MET A 51 -12.895 -5.820 4.679 1.00 0.00 H new ATOM 0 HG3 MET A 51 -11.290 -6.326 4.188 1.00 0.00 H new ATOM 0 HE1 MET A 51 -11.453 -7.231 0.547 1.00 0.00 H new ATOM 0 HE2 MET A 51 -10.527 -7.029 2.054 1.00 0.00 H new ATOM 0 HE3 MET A 51 -11.612 -8.426 1.856 1.00 0.00 H new ATOM 768 N ILE A 52 -14.718 -7.545 6.735 1.00 0.00 N ATOM 769 CA ILE A 52 -15.844 -6.847 7.272 1.00 0.00 C ATOM 770 C ILE A 52 -15.707 -6.796 8.755 1.00 0.00 C ATOM 771 O ILE A 52 -16.225 -5.879 9.391 1.00 0.00 O ATOM 772 CB ILE A 52 -17.101 -7.580 6.906 1.00 0.00 C ATOM 773 CG1 ILE A 52 -17.412 -7.412 5.409 1.00 0.00 C ATOM 774 CG2 ILE A 52 -18.309 -7.053 7.699 1.00 0.00 C ATOM 775 CD1 ILE A 52 -18.415 -8.470 4.954 1.00 0.00 C ATOM 0 H ILE A 52 -14.978 -8.442 6.325 1.00 0.00 H new ATOM 0 HA ILE A 52 -15.889 -5.835 6.869 1.00 0.00 H new ATOM 0 HB ILE A 52 -16.934 -8.630 7.145 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -17.814 -6.416 5.224 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -16.494 -7.498 4.828 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -19.203 -7.605 7.410 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -18.130 -7.186 8.766 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -18.451 -5.994 7.484 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -18.626 -8.339 3.893 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -17.997 -9.463 5.121 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -19.339 -8.364 5.523 1.00 0.00 H new ATOM 787 N ASN A 53 -15.069 -7.740 9.471 1.00 0.00 N ATOM 788 CA ASN A 53 -14.980 -7.822 10.896 1.00 0.00 C ATOM 789 C ASN A 53 -14.066 -6.780 11.443 1.00 0.00 C ATOM 790 O ASN A 53 -14.405 -6.160 12.450 1.00 0.00 O ATOM 791 CB ASN A 53 -14.540 -9.245 11.279 1.00 0.00 C ATOM 792 CG ASN A 53 -14.825 -9.599 12.731 1.00 0.00 C ATOM 793 OD1 ASN A 53 -15.525 -8.977 13.529 1.00 0.00 O ATOM 794 ND2 ASN A 53 -14.331 -10.789 13.165 1.00 0.00 N ATOM 0 H ASN A 53 -14.576 -8.507 9.014 1.00 0.00 H new ATOM 0 HA ASN A 53 -15.956 -7.625 11.339 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -15.049 -9.960 10.633 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -13.471 -9.349 11.091 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -14.548 -11.119 14.106 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -13.744 -11.352 12.550 1.00 0.00 H new ATOM 801 N GLU A 54 -12.941 -6.498 10.763 1.00 0.00 N ATOM 802 CA GLU A 54 -12.069 -5.402 11.053 1.00 0.00 C ATOM 803 C GLU A 54 -12.715 -4.070 10.886 1.00 0.00 C ATOM 804 O GLU A 54 -12.395 -3.214 11.709 1.00 0.00 O ATOM 805 CB GLU A 54 -10.974 -5.563 9.985 1.00 0.00 C ATOM 806 CG GLU A 54 -9.781 -4.742 10.480 1.00 0.00 C ATOM 807 CD GLU A 54 -8.858 -4.559 9.284 1.00 0.00 C ATOM 808 OE1 GLU A 54 -9.369 -4.115 8.221 1.00 0.00 O ATOM 809 OE2 GLU A 54 -7.624 -4.793 9.382 1.00 0.00 O ATOM 0 H GLU A 54 -12.624 -7.061 9.973 1.00 0.00 H new ATOM 0 HA GLU A 54 -11.729 -5.426 12.088 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -10.702 -6.611 9.860 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -11.319 -5.205 9.015 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -10.108 -3.778 10.869 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.267 -5.256 11.292 1.00 0.00 H new ATOM 816 N VAL A 55 -13.595 -3.988 9.872 1.00 0.00 N ATOM 817 CA VAL A 55 -14.153 -2.736 9.466 1.00 0.00 C ATOM 818 C VAL A 55 -15.369 -2.453 10.279 1.00 0.00 C ATOM 819 O VAL A 55 -15.346 -1.533 11.095 1.00 0.00 O ATOM 820 CB VAL A 55 -14.367 -2.746 7.981 1.00 0.00 C ATOM 821 CG1 VAL A 55 -15.042 -1.432 7.553 1.00 0.00 C ATOM 822 CG2 VAL A 55 -12.950 -2.772 7.384 1.00 0.00 C ATOM 0 H VAL A 55 -13.920 -4.790 9.333 1.00 0.00 H new ATOM 0 HA VAL A 55 -13.472 -1.907 9.658 1.00 0.00 H new ATOM 0 HB VAL A 55 -14.987 -3.583 7.660 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -15.198 -1.438 6.474 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -16.003 -1.335 8.058 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -14.404 -0.590 7.823 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -13.014 -2.781 6.296 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -12.402 -1.887 7.708 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -12.428 -3.667 7.724 1.00 0.00 H new ATOM 832 N ASP A 56 -16.387 -3.320 10.139 1.00 0.00 N ATOM 833 CA ASP A 56 -17.646 -3.099 10.780 1.00 0.00 C ATOM 834 C ASP A 56 -17.620 -3.101 12.270 1.00 0.00 C ATOM 835 O ASP A 56 -17.568 -4.121 12.956 1.00 0.00 O ATOM 836 CB ASP A 56 -18.707 -4.028 10.166 1.00 0.00 C ATOM 837 CG ASP A 56 -20.115 -3.723 10.657 1.00 0.00 C ATOM 838 OD1 ASP A 56 -20.494 -2.529 10.795 1.00 0.00 O ATOM 839 OD2 ASP A 56 -20.852 -4.724 10.863 1.00 0.00 O ATOM 0 H ASP A 56 -16.339 -4.173 9.583 1.00 0.00 H new ATOM 0 HA ASP A 56 -17.929 -2.067 10.573 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -18.678 -3.937 9.080 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -18.460 -5.062 10.406 1.00 0.00 H new ATOM 844 N ALA A 57 -17.628 -1.909 12.892 1.00 0.00 N ATOM 845 CA ALA A 57 -17.713 -1.732 14.309 1.00 0.00 C ATOM 846 C ALA A 57 -19.119 -1.465 14.725 1.00 0.00 C ATOM 847 O ALA A 57 -19.480 -1.681 15.881 1.00 0.00 O ATOM 848 CB ALA A 57 -16.933 -0.449 14.639 1.00 0.00 C ATOM 0 H ALA A 57 -17.573 -1.027 12.383 1.00 0.00 H new ATOM 0 HA ALA A 57 -17.335 -2.625 14.807 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -16.968 -0.268 15.713 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -15.896 -0.562 14.323 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -17.382 0.395 14.115 1.00 0.00 H new ATOM 854 N ASP A 58 -19.951 -0.938 13.809 1.00 0.00 N ATOM 855 CA ASP A 58 -21.286 -0.466 14.008 1.00 0.00 C ATOM 856 C ASP A 58 -22.300 -1.553 14.104 1.00 0.00 C ATOM 857 O ASP A 58 -23.232 -1.413 14.893 1.00 0.00 O ATOM 858 CB ASP A 58 -21.640 0.731 13.109 1.00 0.00 C ATOM 859 CG ASP A 58 -21.693 0.337 11.639 1.00 0.00 C ATOM 860 OD1 ASP A 58 -22.685 -0.337 11.253 1.00 0.00 O ATOM 861 OD2 ASP A 58 -20.685 0.535 10.910 1.00 0.00 O ATOM 0 H ASP A 58 -19.659 -0.834 12.837 1.00 0.00 H new ATOM 0 HA ASP A 58 -21.321 -0.038 15.010 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -22.604 1.140 13.411 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -20.902 1.521 13.247 1.00 0.00 H new ATOM 866 N GLY A 59 -22.033 -2.707 13.466 1.00 0.00 N ATOM 867 CA GLY A 59 -22.772 -3.894 13.764 1.00 0.00 C ATOM 868 C GLY A 59 -23.450 -4.622 12.654 1.00 0.00 C ATOM 869 O GLY A 59 -23.762 -5.804 12.787 1.00 0.00 O ATOM 0 H GLY A 59 -21.314 -2.818 12.752 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -22.090 -4.593 14.248 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -23.533 -3.632 14.499 1.00 0.00 H new ATOM 873 N ASN A 60 -23.797 -3.894 11.578 1.00 0.00 N ATOM 874 CA ASN A 60 -24.791 -4.291 10.629 1.00 0.00 C ATOM 875 C ASN A 60 -24.372 -5.365 9.685 1.00 0.00 C ATOM 876 O ASN A 60 -25.207 -5.983 9.027 1.00 0.00 O ATOM 877 CB ASN A 60 -25.381 -3.095 9.863 1.00 0.00 C ATOM 878 CG ASN A 60 -24.333 -2.222 9.188 1.00 0.00 C ATOM 879 OD1 ASN A 60 -23.129 -2.466 9.254 1.00 0.00 O ATOM 880 ND2 ASN A 60 -24.717 -1.054 8.608 1.00 0.00 N ATOM 0 H ASN A 60 -23.369 -2.994 11.360 1.00 0.00 H new ATOM 0 HA ASN A 60 -25.573 -4.732 11.247 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -26.074 -3.465 9.107 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -25.960 -2.483 10.554 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -24.015 -0.410 8.244 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -25.708 -0.821 8.537 1.00 0.00 H new ATOM 887 N GLY A 61 -23.068 -5.617 9.473 1.00 0.00 N ATOM 888 CA GLY A 61 -22.644 -6.742 8.698 1.00 0.00 C ATOM 889 C GLY A 61 -22.361 -6.236 7.325 1.00 0.00 C ATOM 890 O GLY A 61 -21.794 -6.911 6.467 1.00 0.00 O ATOM 0 H GLY A 61 -22.308 -5.043 9.838 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -21.755 -7.198 9.133 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -23.417 -7.510 8.675 1.00 0.00 H new ATOM 894 N THR A 62 -22.715 -4.974 7.026 1.00 0.00 N ATOM 895 CA THR A 62 -22.509 -4.345 5.758 1.00 0.00 C ATOM 896 C THR A 62 -21.606 -3.161 5.810 1.00 0.00 C ATOM 897 O THR A 62 -21.292 -2.662 6.889 1.00 0.00 O ATOM 898 CB THR A 62 -23.841 -4.104 5.111 1.00 0.00 C ATOM 899 OG1 THR A 62 -24.678 -3.303 5.931 1.00 0.00 O ATOM 900 CG2 THR A 62 -24.565 -5.401 4.712 1.00 0.00 C ATOM 0 H THR A 62 -23.168 -4.361 7.703 1.00 0.00 H new ATOM 0 HA THR A 62 -21.949 -5.023 5.114 1.00 0.00 H new ATOM 0 HB THR A 62 -23.629 -3.563 4.189 1.00 0.00 H new ATOM 0 HG1 THR A 62 -25.538 -3.162 5.482 1.00 0.00 H new ATOM 0 HG21 THR A 62 -25.521 -5.156 4.250 1.00 0.00 H new ATOM 0 HG22 THR A 62 -23.951 -5.957 4.003 1.00 0.00 H new ATOM 0 HG23 THR A 62 -24.736 -6.010 5.600 1.00 0.00 H new ATOM 908 N ILE A 63 -21.082 -2.819 4.619 1.00 0.00 N ATOM 909 CA ILE A 63 -20.190 -1.723 4.398 1.00 0.00 C ATOM 910 C ILE A 63 -21.058 -0.591 3.968 1.00 0.00 C ATOM 911 O ILE A 63 -21.631 -0.648 2.881 1.00 0.00 O ATOM 912 CB ILE A 63 -19.056 -2.048 3.471 1.00 0.00 C ATOM 913 CG1 ILE A 63 -18.182 -3.242 3.890 1.00 0.00 C ATOM 914 CG2 ILE A 63 -18.229 -0.761 3.313 1.00 0.00 C ATOM 915 CD1 ILE A 63 -17.348 -3.003 5.147 1.00 0.00 C ATOM 0 H ILE A 63 -21.292 -3.335 3.765 1.00 0.00 H new ATOM 0 HA ILE A 63 -19.647 -1.454 5.304 1.00 0.00 H new ATOM 0 HB ILE A 63 -19.478 -2.382 2.523 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -18.825 -4.107 4.054 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -17.513 -3.493 3.067 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -17.389 -0.948 2.644 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -18.857 0.026 2.895 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -17.854 -0.447 4.287 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -16.763 -3.895 5.370 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -16.677 -2.160 4.983 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -18.009 -2.783 5.986 1.00 0.00 H new ATOM 927 N ASP A 64 -21.326 0.393 4.845 1.00 0.00 N ATOM 928 CA ASP A 64 -22.120 1.557 4.598 1.00 0.00 C ATOM 929 C ASP A 64 -21.255 2.665 4.104 1.00 0.00 C ATOM 930 O ASP A 64 -20.033 2.531 4.145 1.00 0.00 O ATOM 931 CB ASP A 64 -23.054 1.884 5.775 1.00 0.00 C ATOM 932 CG ASP A 64 -22.388 1.759 7.138 1.00 0.00 C ATOM 933 OD1 ASP A 64 -22.298 0.621 7.671 1.00 0.00 O ATOM 934 OD2 ASP A 64 -21.886 2.789 7.660 1.00 0.00 O ATOM 0 H ASP A 64 -20.960 0.372 5.797 1.00 0.00 H new ATOM 0 HA ASP A 64 -22.825 1.367 3.789 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -23.431 2.900 5.657 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -23.916 1.218 5.739 1.00 0.00 H new ATOM 939 N PHE A 65 -21.775 3.825 3.664 1.00 0.00 N ATOM 940 CA PHE A 65 -20.956 4.891 3.176 1.00 0.00 C ATOM 941 C PHE A 65 -19.961 5.619 4.013 1.00 0.00 C ATOM 942 O PHE A 65 -18.873 5.849 3.488 1.00 0.00 O ATOM 943 CB PHE A 65 -21.869 5.883 2.437 1.00 0.00 C ATOM 944 CG PHE A 65 -21.279 7.051 1.724 1.00 0.00 C ATOM 945 CD1 PHE A 65 -21.056 8.223 2.408 1.00 0.00 C ATOM 946 CD2 PHE A 65 -21.036 7.058 0.370 1.00 0.00 C ATOM 947 CE1 PHE A 65 -20.612 9.385 1.823 1.00 0.00 C ATOM 948 CE2 PHE A 65 -20.491 8.184 -0.200 1.00 0.00 C ATOM 949 CZ PHE A 65 -20.276 9.354 0.490 1.00 0.00 C ATOM 0 H PHE A 65 -22.775 4.026 3.647 1.00 0.00 H new ATOM 0 HA PHE A 65 -20.241 4.334 2.571 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -22.442 5.313 1.706 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -22.580 6.273 3.165 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -21.241 8.231 3.472 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -21.269 6.194 -0.235 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -20.529 10.297 2.395 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -20.217 8.148 -1.244 1.00 0.00 H new ATOM 0 HZ PHE A 65 -19.857 10.221 0.001 1.00 0.00 H new ATOM 959 N PRO A 66 -20.111 6.069 5.224 1.00 0.00 N ATOM 960 CA PRO A 66 -19.061 6.767 5.907 1.00 0.00 C ATOM 961 C PRO A 66 -18.054 5.819 6.463 1.00 0.00 C ATOM 962 O PRO A 66 -16.922 6.195 6.764 1.00 0.00 O ATOM 963 CB PRO A 66 -19.815 7.519 7.002 1.00 0.00 C ATOM 964 CG PRO A 66 -21.112 6.745 7.290 1.00 0.00 C ATOM 965 CD PRO A 66 -21.399 6.175 5.892 1.00 0.00 C ATOM 0 HA PRO A 66 -18.483 7.429 5.262 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -19.206 7.595 7.903 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -20.039 8.537 6.683 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -20.974 5.964 8.038 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -21.913 7.392 7.649 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -21.883 5.201 5.961 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -22.073 6.827 5.337 1.00 0.00 H new ATOM 973 N GLU A 67 -18.368 4.533 6.700 1.00 0.00 N ATOM 974 CA GLU A 67 -17.499 3.410 6.869 1.00 0.00 C ATOM 975 C GLU A 67 -16.730 3.234 5.605 1.00 0.00 C ATOM 976 O GLU A 67 -15.506 3.143 5.680 1.00 0.00 O ATOM 977 CB GLU A 67 -18.419 2.200 7.104 1.00 0.00 C ATOM 978 CG GLU A 67 -17.659 0.989 7.648 1.00 0.00 C ATOM 979 CD GLU A 67 -18.732 -0.041 7.969 1.00 0.00 C ATOM 980 OE1 GLU A 67 -19.722 -0.254 7.219 1.00 0.00 O ATOM 981 OE2 GLU A 67 -18.687 -0.680 9.055 1.00 0.00 O ATOM 0 H GLU A 67 -19.345 4.252 6.782 1.00 0.00 H new ATOM 0 HA GLU A 67 -16.799 3.531 7.695 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -19.207 2.476 7.805 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -18.906 1.929 6.167 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -16.951 0.605 6.913 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -17.085 1.251 8.537 1.00 0.00 H new ATOM 988 N PHE A 68 -17.308 3.317 4.393 1.00 0.00 N ATOM 989 CA PHE A 68 -16.667 3.086 3.136 1.00 0.00 C ATOM 990 C PHE A 68 -15.747 4.225 2.860 1.00 0.00 C ATOM 991 O PHE A 68 -14.697 4.105 2.232 1.00 0.00 O ATOM 992 CB PHE A 68 -17.636 2.867 1.963 1.00 0.00 C ATOM 993 CG PHE A 68 -16.869 2.335 0.802 1.00 0.00 C ATOM 994 CD1 PHE A 68 -16.471 1.019 0.828 1.00 0.00 C ATOM 995 CD2 PHE A 68 -16.838 3.078 -0.355 1.00 0.00 C ATOM 996 CE1 PHE A 68 -16.039 0.424 -0.334 1.00 0.00 C ATOM 997 CE2 PHE A 68 -16.374 2.473 -1.500 1.00 0.00 C ATOM 998 CZ PHE A 68 -15.906 1.181 -1.474 1.00 0.00 C ATOM 0 H PHE A 68 -18.292 3.563 4.286 1.00 0.00 H new ATOM 0 HA PHE A 68 -16.116 2.149 3.219 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -18.423 2.168 2.248 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -18.124 3.804 1.696 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -16.497 0.459 1.751 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -17.168 4.106 -0.364 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -15.806 -0.630 -0.351 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -16.378 3.020 -2.431 1.00 0.00 H new ATOM 0 HZ PHE A 68 -15.434 0.760 -2.349 1.00 0.00 H new ATOM 1008 N LEU A 69 -16.152 5.477 3.141 1.00 0.00 N ATOM 1009 CA LEU A 69 -15.392 6.681 3.002 1.00 0.00 C ATOM 1010 C LEU A 69 -14.118 6.603 3.770 1.00 0.00 C ATOM 1011 O LEU A 69 -13.096 6.889 3.148 1.00 0.00 O ATOM 1012 CB LEU A 69 -16.321 7.836 3.410 1.00 0.00 C ATOM 1013 CG LEU A 69 -15.804 9.265 3.173 1.00 0.00 C ATOM 1014 CD1 LEU A 69 -16.874 10.292 2.767 1.00 0.00 C ATOM 1015 CD2 LEU A 69 -14.980 9.781 4.364 1.00 0.00 C ATOM 0 H LEU A 69 -17.091 5.660 3.495 1.00 0.00 H new ATOM 0 HA LEU A 69 -15.064 6.848 1.976 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -17.261 7.722 2.870 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -16.548 7.730 4.471 1.00 0.00 H new ATOM 0 HG LEU A 69 -15.155 9.168 2.303 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -16.407 11.267 2.624 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -17.347 9.976 1.837 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -17.627 10.362 3.552 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -14.634 10.793 4.156 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -15.600 9.787 5.260 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -14.121 9.129 4.522 1.00 0.00 H new ATOM 1027 N THR A 70 -14.103 6.159 5.039 1.00 0.00 N ATOM 1028 CA THR A 70 -12.912 5.993 5.814 1.00 0.00 C ATOM 1029 C THR A 70 -12.184 4.786 5.333 1.00 0.00 C ATOM 1030 O THR A 70 -10.979 4.751 5.575 1.00 0.00 O ATOM 1031 CB THR A 70 -13.252 5.900 7.272 1.00 0.00 C ATOM 1032 OG1 THR A 70 -13.842 7.144 7.618 1.00 0.00 O ATOM 1033 CG2 THR A 70 -12.040 5.715 8.202 1.00 0.00 C ATOM 0 H THR A 70 -14.952 5.906 5.545 1.00 0.00 H new ATOM 0 HA THR A 70 -12.260 6.858 5.691 1.00 0.00 H new ATOM 0 HB THR A 70 -13.891 5.027 7.404 1.00 0.00 H new ATOM 0 HG1 THR A 70 -14.087 7.137 8.567 1.00 0.00 H new ATOM 0 HG21 THR A 70 -12.380 5.658 9.236 1.00 0.00 H new ATOM 0 HG22 THR A 70 -11.518 4.795 7.940 1.00 0.00 H new ATOM 0 HG23 THR A 70 -11.362 6.561 8.089 1.00 0.00 H new ATOM 1041 N MET A 71 -12.812 3.797 4.672 1.00 0.00 N ATOM 1042 CA MET A 71 -12.157 2.653 4.116 1.00 0.00 C ATOM 1043 C MET A 71 -11.248 3.055 3.006 1.00 0.00 C ATOM 1044 O MET A 71 -10.105 2.606 2.938 1.00 0.00 O ATOM 1045 CB MET A 71 -13.159 1.555 3.723 1.00 0.00 C ATOM 1046 CG MET A 71 -12.588 0.138 3.654 1.00 0.00 C ATOM 1047 SD MET A 71 -13.819 -1.168 3.366 1.00 0.00 S ATOM 1048 CE MET A 71 -12.609 -2.523 3.374 1.00 0.00 C ATOM 0 H MET A 71 -13.820 3.794 4.518 1.00 0.00 H new ATOM 0 HA MET A 71 -11.528 2.206 4.886 1.00 0.00 H new ATOM 0 HB2 MET A 71 -13.980 1.563 4.440 1.00 0.00 H new ATOM 0 HB3 MET A 71 -13.583 1.805 2.750 1.00 0.00 H new ATOM 0 HG2 MET A 71 -11.845 0.099 2.857 1.00 0.00 H new ATOM 0 HG3 MET A 71 -12.066 -0.074 4.587 1.00 0.00 H new ATOM 0 HE1 MET A 71 -13.133 -3.478 3.408 1.00 0.00 H new ATOM 0 HE2 MET A 71 -12.002 -2.474 2.470 1.00 0.00 H new ATOM 0 HE3 MET A 71 -11.965 -2.431 4.249 1.00 0.00 H new ATOM 1058 N MET A 72 -11.726 3.970 2.143 1.00 0.00 N ATOM 1059 CA MET A 72 -11.035 4.572 1.045 1.00 0.00 C ATOM 1060 C MET A 72 -9.953 5.489 1.499 1.00 0.00 C ATOM 1061 O MET A 72 -8.911 5.590 0.853 1.00 0.00 O ATOM 1062 CB MET A 72 -12.093 5.271 0.175 1.00 0.00 C ATOM 1063 CG MET A 72 -12.542 4.311 -0.928 1.00 0.00 C ATOM 1064 SD MET A 72 -13.721 5.040 -2.105 1.00 0.00 S ATOM 1065 CE MET A 72 -13.281 3.766 -3.323 1.00 0.00 C ATOM 0 H MET A 72 -12.681 4.318 2.223 1.00 0.00 H new ATOM 0 HA MET A 72 -10.517 3.816 0.455 1.00 0.00 H new ATOM 0 HB2 MET A 72 -12.946 5.569 0.785 1.00 0.00 H new ATOM 0 HB3 MET A 72 -11.680 6.180 -0.262 1.00 0.00 H new ATOM 0 HG2 MET A 72 -11.665 3.966 -1.475 1.00 0.00 H new ATOM 0 HG3 MET A 72 -12.997 3.433 -0.469 1.00 0.00 H new ATOM 0 HE1 MET A 72 -13.955 3.831 -4.177 1.00 0.00 H new ATOM 0 HE2 MET A 72 -12.255 3.921 -3.657 1.00 0.00 H new ATOM 0 HE3 MET A 72 -13.369 2.780 -2.866 1.00 0.00 H new ATOM 1075 N ALA A 73 -10.170 6.250 2.587 1.00 0.00 N ATOM 1076 CA ALA A 73 -9.183 7.161 3.078 1.00 0.00 C ATOM 1077 C ALA A 73 -8.104 6.454 3.824 1.00 0.00 C ATOM 1078 O ALA A 73 -6.947 6.868 3.857 1.00 0.00 O ATOM 1079 CB ALA A 73 -9.843 8.285 3.893 1.00 0.00 C ATOM 0 H ALA A 73 -11.034 6.234 3.129 1.00 0.00 H new ATOM 0 HA ALA A 73 -8.693 7.632 2.226 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -9.076 8.968 4.258 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -10.543 8.830 3.260 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -10.378 7.855 4.739 1.00 0.00 H new ATOM 1234 N GLU A 83 -0.421 14.170 8.302 1.00 0.00 N ATOM 1235 CA GLU A 83 -0.806 14.813 9.519 1.00 0.00 C ATOM 1236 C GLU A 83 -1.702 13.951 10.341 1.00 0.00 C ATOM 1237 O GLU A 83 -1.779 14.197 11.543 1.00 0.00 O ATOM 1238 CB GLU A 83 -1.216 16.280 9.305 1.00 0.00 C ATOM 1239 CG GLU A 83 -2.608 16.652 8.789 1.00 0.00 C ATOM 1240 CD GLU A 83 -2.686 18.152 8.543 1.00 0.00 C ATOM 1241 OE1 GLU A 83 -2.485 18.916 9.524 1.00 0.00 O ATOM 1242 OE2 GLU A 83 -2.985 18.581 7.396 1.00 0.00 O ATOM 0 HA GLU A 83 0.068 14.922 10.161 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -1.085 16.788 10.260 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -0.495 16.713 8.612 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -2.819 16.112 7.866 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -3.366 16.354 9.514 1.00 0.00 H new ATOM 1249 N GLU A 84 -2.440 12.980 9.773 1.00 0.00 N ATOM 1250 CA GLU A 84 -3.346 12.164 10.519 1.00 0.00 C ATOM 1251 C GLU A 84 -2.684 10.951 11.077 1.00 0.00 C ATOM 1252 O GLU A 84 -3.004 10.410 12.134 1.00 0.00 O ATOM 1253 CB GLU A 84 -4.499 11.683 9.622 1.00 0.00 C ATOM 1254 CG GLU A 84 -5.284 12.855 9.028 1.00 0.00 C ATOM 1255 CD GLU A 84 -6.750 12.568 8.740 1.00 0.00 C ATOM 1256 OE1 GLU A 84 -7.603 12.631 9.666 1.00 0.00 O ATOM 1257 OE2 GLU A 84 -7.073 12.155 7.595 1.00 0.00 O ATOM 0 H GLU A 84 -2.407 12.758 8.778 1.00 0.00 H new ATOM 0 HA GLU A 84 -3.713 12.785 11.336 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -4.100 11.067 8.816 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -5.172 11.052 10.202 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -5.223 13.699 9.715 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -4.801 13.163 8.101 1.00 0.00 H new ATOM 1264 N ILE A 85 -1.558 10.555 10.457 1.00 0.00 N ATOM 1265 CA ILE A 85 -0.679 9.513 10.889 1.00 0.00 C ATOM 1266 C ILE A 85 0.282 9.914 11.955 1.00 0.00 C ATOM 1267 O ILE A 85 0.598 9.140 12.857 1.00 0.00 O ATOM 1268 CB ILE A 85 0.082 8.862 9.772 1.00 0.00 C ATOM 1269 CG1 ILE A 85 -0.778 8.161 8.706 1.00 0.00 C ATOM 1270 CG2 ILE A 85 1.158 7.841 10.177 1.00 0.00 C ATOM 1271 CD1 ILE A 85 -1.527 6.927 9.206 1.00 0.00 C ATOM 0 H ILE A 85 -1.241 10.995 9.593 1.00 0.00 H new ATOM 0 HA ILE A 85 -1.371 8.787 11.316 1.00 0.00 H new ATOM 0 HB ILE A 85 0.558 9.753 9.363 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -1.502 8.876 8.314 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -0.136 7.869 7.875 1.00 0.00 H new ATOM 0 HG21 ILE A 85 1.636 7.442 9.282 1.00 0.00 H new ATOM 0 HG22 ILE A 85 1.906 8.329 10.801 1.00 0.00 H new ATOM 0 HG23 ILE A 85 0.695 7.027 10.735 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -2.107 6.497 8.389 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -0.811 6.190 9.570 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -2.198 7.212 10.016 1.00 0.00 H new ATOM 1283 N ARG A 86 0.886 11.114 11.891 1.00 0.00 N ATOM 1284 CA ARG A 86 1.579 11.652 13.020 1.00 0.00 C ATOM 1285 C ARG A 86 0.756 11.948 14.227 1.00 0.00 C ATOM 1286 O ARG A 86 1.105 11.613 15.358 1.00 0.00 O ATOM 1287 CB ARG A 86 2.372 12.915 12.645 1.00 0.00 C ATOM 1288 CG ARG A 86 3.391 13.331 13.708 1.00 0.00 C ATOM 1289 CD ARG A 86 4.307 14.431 13.168 1.00 0.00 C ATOM 1290 NE ARG A 86 5.135 13.865 12.066 1.00 0.00 N ATOM 1291 CZ ARG A 86 6.355 13.284 12.258 1.00 0.00 C ATOM 1292 NH1 ARG A 86 6.884 12.963 13.475 1.00 0.00 N ATOM 1293 NH2 ARG A 86 7.027 12.927 11.125 1.00 0.00 N ATOM 0 H ARG A 86 0.895 11.709 11.062 1.00 0.00 H new ATOM 0 HA ARG A 86 2.241 10.834 13.304 1.00 0.00 H new ATOM 0 HB2 ARG A 86 2.891 12.742 11.702 1.00 0.00 H new ATOM 0 HB3 ARG A 86 1.675 13.737 12.479 1.00 0.00 H new ATOM 0 HG2 ARG A 86 2.872 13.686 14.599 1.00 0.00 H new ATOM 0 HG3 ARG A 86 3.986 12.468 14.008 1.00 0.00 H new ATOM 0 HD2 ARG A 86 3.715 15.270 12.803 1.00 0.00 H new ATOM 0 HD3 ARG A 86 4.947 14.814 13.963 1.00 0.00 H new ATOM 0 HE ARG A 86 4.770 13.915 11.115 1.00 0.00 H new ATOM 0 HH11 ARG A 86 6.358 13.157 14.327 1.00 0.00 H new ATOM 0 HH12 ARG A 86 7.806 12.529 13.532 1.00 0.00 H new ATOM 0 HH21 ARG A 86 6.611 13.100 10.210 1.00 0.00 H new ATOM 0 HH22 ARG A 86 7.945 12.488 11.194 1.00 0.00 H new ATOM 1307 N GLU A 87 -0.531 12.264 14.002 1.00 0.00 N ATOM 1308 CA GLU A 87 -1.450 12.439 15.084 1.00 0.00 C ATOM 1309 C GLU A 87 -1.925 11.105 15.549 1.00 0.00 C ATOM 1310 O GLU A 87 -2.355 10.957 16.692 1.00 0.00 O ATOM 1311 CB GLU A 87 -2.640 13.309 14.645 1.00 0.00 C ATOM 1312 CG GLU A 87 -3.618 13.522 15.802 1.00 0.00 C ATOM 1313 CD GLU A 87 -4.562 14.696 15.586 1.00 0.00 C ATOM 1314 OE1 GLU A 87 -4.615 15.315 14.489 1.00 0.00 O ATOM 1315 OE2 GLU A 87 -5.295 14.959 16.576 1.00 0.00 O ATOM 0 H GLU A 87 -0.935 12.398 13.075 1.00 0.00 H new ATOM 0 HA GLU A 87 -0.944 12.947 15.905 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -2.278 14.273 14.287 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -3.156 12.833 13.811 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -4.205 12.615 15.944 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -3.053 13.683 16.720 1.00 0.00 H new ATOM 1322 N ALA A 88 -1.667 10.005 14.820 1.00 0.00 N ATOM 1323 CA ALA A 88 -1.964 8.692 15.301 1.00 0.00 C ATOM 1324 C ALA A 88 -0.824 8.173 16.107 1.00 0.00 C ATOM 1325 O ALA A 88 -1.078 7.506 17.109 1.00 0.00 O ATOM 1326 CB ALA A 88 -2.296 7.686 14.185 1.00 0.00 C ATOM 0 H ALA A 88 -1.249 10.026 13.890 1.00 0.00 H new ATOM 0 HA ALA A 88 -2.859 8.791 15.916 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -2.510 6.712 14.625 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -3.167 8.033 13.630 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -1.446 7.599 13.509 1.00 0.00 H new ATOM 1332 N PHE A 89 0.453 8.441 15.781 1.00 0.00 N ATOM 1333 CA PHE A 89 1.640 8.225 16.549 1.00 0.00 C ATOM 1334 C PHE A 89 1.604 8.932 17.860 1.00 0.00 C ATOM 1335 O PHE A 89 2.013 8.391 18.886 1.00 0.00 O ATOM 1336 CB PHE A 89 2.928 8.586 15.791 1.00 0.00 C ATOM 1337 CG PHE A 89 4.172 8.018 16.383 1.00 0.00 C ATOM 1338 CD1 PHE A 89 4.776 8.523 17.510 1.00 0.00 C ATOM 1339 CD2 PHE A 89 4.657 6.835 15.877 1.00 0.00 C ATOM 1340 CE1 PHE A 89 5.845 7.874 18.082 1.00 0.00 C ATOM 1341 CE2 PHE A 89 5.752 6.201 16.415 1.00 0.00 C ATOM 1342 CZ PHE A 89 6.328 6.697 17.562 1.00 0.00 C ATOM 0 H PHE A 89 0.675 8.856 14.876 1.00 0.00 H new ATOM 0 HA PHE A 89 1.660 7.151 16.736 1.00 0.00 H new ATOM 0 HB2 PHE A 89 2.839 8.238 14.762 1.00 0.00 H new ATOM 0 HB3 PHE A 89 3.021 9.671 15.754 1.00 0.00 H new ATOM 0 HD1 PHE A 89 4.408 9.438 17.950 1.00 0.00 H new ATOM 0 HD2 PHE A 89 4.161 6.389 15.028 1.00 0.00 H new ATOM 0 HE1 PHE A 89 6.314 8.298 18.957 1.00 0.00 H new ATOM 0 HE2 PHE A 89 6.157 5.320 15.940 1.00 0.00 H new ATOM 0 HZ PHE A 89 7.141 6.173 18.043 1.00 0.00 H new ATOM 1352 N ARG A 90 1.045 10.155 17.896 1.00 0.00 N ATOM 1353 CA ARG A 90 0.907 10.985 19.052 1.00 0.00 C ATOM 1354 C ARG A 90 -0.035 10.469 20.084 1.00 0.00 C ATOM 1355 O ARG A 90 0.009 10.696 21.292 1.00 0.00 O ATOM 1356 CB ARG A 90 0.530 12.427 18.671 1.00 0.00 C ATOM 1357 CG ARG A 90 0.787 13.506 19.725 1.00 0.00 C ATOM 1358 CD ARG A 90 0.141 14.809 19.250 1.00 0.00 C ATOM 1359 NE ARG A 90 -1.332 14.655 19.411 1.00 0.00 N ATOM 1360 CZ ARG A 90 -2.176 15.520 18.777 1.00 0.00 C ATOM 1361 NH1 ARG A 90 -1.646 16.309 17.797 1.00 0.00 N ATOM 1362 NH2 ARG A 90 -3.513 15.549 19.051 1.00 0.00 N ATOM 0 H ARG A 90 0.663 10.593 17.058 1.00 0.00 H new ATOM 0 HA ARG A 90 1.895 10.972 19.512 1.00 0.00 H new ATOM 0 HB2 ARG A 90 1.079 12.695 17.769 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -0.530 12.446 18.416 1.00 0.00 H new ATOM 0 HG2 ARG A 90 0.370 13.204 20.686 1.00 0.00 H new ATOM 0 HG3 ARG A 90 1.858 13.645 19.872 1.00 0.00 H new ATOM 0 HD2 ARG A 90 0.505 15.654 19.834 1.00 0.00 H new ATOM 0 HD3 ARG A 90 0.396 15.007 18.209 1.00 0.00 H new ATOM 0 HE ARG A 90 -1.708 13.906 19.993 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -0.655 16.238 17.565 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -2.241 16.970 17.297 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -3.905 14.913 19.746 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -4.120 16.207 18.561 1.00 0.00 H new ATOM 1376 N VAL A 91 -1.109 9.841 19.571 1.00 0.00 N ATOM 1377 CA VAL A 91 -2.128 9.105 20.253 1.00 0.00 C ATOM 1378 C VAL A 91 -1.637 7.843 20.873 1.00 0.00 C ATOM 1379 O VAL A 91 -2.039 7.486 21.979 1.00 0.00 O ATOM 1380 CB VAL A 91 -3.281 8.870 19.323 1.00 0.00 C ATOM 1381 CG1 VAL A 91 -4.134 7.615 19.573 1.00 0.00 C ATOM 1382 CG2 VAL A 91 -4.244 10.068 19.358 1.00 0.00 C ATOM 0 H VAL A 91 -1.279 9.853 18.565 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.466 9.710 21.094 1.00 0.00 H new ATOM 0 HB VAL A 91 -2.789 8.727 18.361 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.932 7.564 18.832 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.507 6.727 19.493 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -4.568 7.663 20.572 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.077 9.885 18.679 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -4.624 10.200 20.371 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.715 10.969 19.049 1.00 0.00 H new ATOM 1392 N PHE A 92 -0.704 7.129 20.218 1.00 0.00 N ATOM 1393 CA PHE A 92 0.041 6.048 20.784 1.00 0.00 C ATOM 1394 C PHE A 92 0.974 6.597 21.808 1.00 0.00 C ATOM 1395 O PHE A 92 0.855 6.209 22.970 1.00 0.00 O ATOM 1396 CB PHE A 92 0.771 5.311 19.648 1.00 0.00 C ATOM 1397 CG PHE A 92 -0.127 4.198 19.230 1.00 0.00 C ATOM 1398 CD1 PHE A 92 -1.118 4.461 18.313 1.00 0.00 C ATOM 1399 CD2 PHE A 92 -0.055 2.919 19.728 1.00 0.00 C ATOM 1400 CE1 PHE A 92 -1.963 3.519 17.777 1.00 0.00 C ATOM 1401 CE2 PHE A 92 -0.822 1.922 19.173 1.00 0.00 C ATOM 1402 CZ PHE A 92 -1.753 2.230 18.210 1.00 0.00 C ATOM 0 H PHE A 92 -0.457 7.315 19.246 1.00 0.00 H new ATOM 0 HA PHE A 92 -0.606 5.327 21.283 1.00 0.00 H new ATOM 0 HB2 PHE A 92 0.972 5.983 18.814 1.00 0.00 H new ATOM 0 HB3 PHE A 92 1.733 4.928 19.988 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -1.241 5.484 17.990 1.00 0.00 H new ATOM 0 HD2 PHE A 92 0.604 2.697 20.555 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -2.736 3.772 17.067 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -0.693 0.899 19.493 1.00 0.00 H new ATOM 0 HZ PHE A 92 -2.340 1.433 17.778 1.00 0.00 H new ATOM 1412 N ASP A 93 1.968 7.426 21.443 1.00 0.00 N ATOM 1413 CA ASP A 93 3.045 7.888 22.262 1.00 0.00 C ATOM 1414 C ASP A 93 2.668 9.072 23.084 1.00 0.00 C ATOM 1415 O ASP A 93 2.811 10.198 22.609 1.00 0.00 O ATOM 1416 CB ASP A 93 4.337 8.044 21.441 1.00 0.00 C ATOM 1417 CG ASP A 93 5.610 8.353 22.216 1.00 0.00 C ATOM 1418 OD1 ASP A 93 5.706 7.967 23.411 1.00 0.00 O ATOM 1419 OD2 ASP A 93 6.587 8.802 21.560 1.00 0.00 O ATOM 0 H ASP A 93 2.021 7.803 20.497 1.00 0.00 H new ATOM 0 HA ASP A 93 3.268 7.121 23.004 1.00 0.00 H new ATOM 0 HB2 ASP A 93 4.496 7.123 20.880 1.00 0.00 H new ATOM 0 HB3 ASP A 93 4.182 8.839 20.712 1.00 0.00 H new ATOM 1424 N LYS A 94 2.224 8.778 24.319 1.00 0.00 N ATOM 1425 CA LYS A 94 1.986 9.726 25.362 1.00 0.00 C ATOM 1426 C LYS A 94 3.145 10.571 25.766 1.00 0.00 C ATOM 1427 O LYS A 94 3.022 11.795 25.733 1.00 0.00 O ATOM 1428 CB LYS A 94 1.296 9.137 26.604 1.00 0.00 C ATOM 1429 CG LYS A 94 -0.224 9.046 26.452 1.00 0.00 C ATOM 1430 CD LYS A 94 -1.097 8.797 27.684 1.00 0.00 C ATOM 1431 CE LYS A 94 -2.560 9.221 27.544 1.00 0.00 C ATOM 1432 NZ LYS A 94 -3.255 8.281 26.636 1.00 0.00 N ATOM 0 H LYS A 94 2.019 7.821 24.606 1.00 0.00 H new ATOM 0 HA LYS A 94 1.287 10.402 24.870 1.00 0.00 H new ATOM 0 HB2 LYS A 94 1.697 8.142 26.799 1.00 0.00 H new ATOM 0 HB3 LYS A 94 1.533 9.752 27.472 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -0.562 9.977 25.997 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -0.433 8.248 25.739 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -1.065 7.734 27.923 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -0.661 9.327 28.531 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -3.044 9.227 28.521 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -2.621 10.236 27.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -4.242 8.585 26.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -2.776 8.272 25.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -3.236 7.325 27.045 1.00 0.00 H new ATOM 1446 N ASP A 95 4.245 9.939 26.213 1.00 0.00 N ATOM 1447 CA ASP A 95 5.473 10.501 26.684 1.00 0.00 C ATOM 1448 C ASP A 95 6.203 11.297 25.657 1.00 0.00 C ATOM 1449 O ASP A 95 6.859 12.285 25.981 1.00 0.00 O ATOM 1450 CB ASP A 95 6.277 9.404 27.401 1.00 0.00 C ATOM 1451 CG ASP A 95 6.405 8.166 26.525 1.00 0.00 C ATOM 1452 OD1 ASP A 95 5.462 7.341 26.393 1.00 0.00 O ATOM 1453 OD2 ASP A 95 7.474 8.070 25.864 1.00 0.00 O ATOM 0 H ASP A 95 4.273 8.920 26.247 1.00 0.00 H new ATOM 0 HA ASP A 95 5.266 11.271 27.427 1.00 0.00 H new ATOM 0 HB2 ASP A 95 7.268 9.780 27.654 1.00 0.00 H new ATOM 0 HB3 ASP A 95 5.787 9.142 28.339 1.00 0.00 H new ATOM 1458 N GLY A 96 6.143 10.854 24.389 1.00 0.00 N ATOM 1459 CA GLY A 96 6.700 11.571 23.285 1.00 0.00 C ATOM 1460 C GLY A 96 8.173 11.410 23.127 1.00 0.00 C ATOM 1461 O GLY A 96 8.885 12.228 22.545 1.00 0.00 O ATOM 0 H GLY A 96 5.696 9.976 24.125 1.00 0.00 H new ATOM 0 HA2 GLY A 96 6.210 11.241 22.369 1.00 0.00 H new ATOM 0 HA3 GLY A 96 6.473 12.630 23.404 1.00 0.00 H new ATOM 1465 N ASN A 97 8.689 10.208 23.439 1.00 0.00 N ATOM 1466 CA ASN A 97 10.073 9.893 23.263 1.00 0.00 C ATOM 1467 C ASN A 97 10.386 9.438 21.879 1.00 0.00 C ATOM 1468 O ASN A 97 11.533 9.424 21.435 1.00 0.00 O ATOM 1469 CB ASN A 97 10.405 8.901 24.390 1.00 0.00 C ATOM 1470 CG ASN A 97 9.888 7.476 24.255 1.00 0.00 C ATOM 1471 OD1 ASN A 97 8.900 7.172 23.589 1.00 0.00 O ATOM 1472 ND2 ASN A 97 10.636 6.553 24.918 1.00 0.00 N ATOM 0 H ASN A 97 8.135 9.441 23.820 1.00 0.00 H new ATOM 0 HA ASN A 97 10.720 10.766 23.350 1.00 0.00 H new ATOM 0 HB2 ASN A 97 11.490 8.856 24.488 1.00 0.00 H new ATOM 0 HB3 ASN A 97 10.017 9.311 25.322 1.00 0.00 H new ATOM 0 HD21 ASN A 97 10.384 5.566 24.874 1.00 0.00 H new ATOM 0 HD22 ASN A 97 11.448 6.849 25.459 1.00 0.00 H new ATOM 1479 N GLY A 98 9.361 9.044 21.102 1.00 0.00 N ATOM 1480 CA GLY A 98 9.468 8.660 19.729 1.00 0.00 C ATOM 1481 C GLY A 98 9.396 7.193 19.480 1.00 0.00 C ATOM 1482 O GLY A 98 9.782 6.757 18.396 1.00 0.00 O ATOM 0 H GLY A 98 8.405 8.991 21.452 1.00 0.00 H new ATOM 0 HA2 GLY A 98 8.672 9.149 19.167 1.00 0.00 H new ATOM 0 HA3 GLY A 98 10.413 9.035 19.335 1.00 0.00 H new ATOM 1486 N TYR A 99 8.963 6.441 20.507 1.00 0.00 N ATOM 1487 CA TYR A 99 8.948 5.011 20.527 1.00 0.00 C ATOM 1488 C TYR A 99 7.601 4.685 21.073 1.00 0.00 C ATOM 1489 O TYR A 99 7.002 5.406 21.869 1.00 0.00 O ATOM 1490 CB TYR A 99 9.980 4.353 21.459 1.00 0.00 C ATOM 1491 CG TYR A 99 11.380 4.408 20.950 1.00 0.00 C ATOM 1492 CD1 TYR A 99 11.765 3.728 19.819 1.00 0.00 C ATOM 1493 CD2 TYR A 99 12.301 5.230 21.555 1.00 0.00 C ATOM 1494 CE1 TYR A 99 13.008 3.974 19.285 1.00 0.00 C ATOM 1495 CE2 TYR A 99 13.569 5.381 21.045 1.00 0.00 C ATOM 1496 CZ TYR A 99 13.983 4.704 19.923 1.00 0.00 C ATOM 1497 OH TYR A 99 15.285 4.855 19.398 1.00 0.00 O ATOM 0 H TYR A 99 8.604 6.852 21.369 1.00 0.00 H new ATOM 0 HA TYR A 99 9.180 4.643 19.528 1.00 0.00 H new ATOM 0 HB2 TYR A 99 9.939 4.842 22.432 1.00 0.00 H new ATOM 0 HB3 TYR A 99 9.702 3.311 21.614 1.00 0.00 H new ATOM 0 HD1 TYR A 99 11.102 3.012 19.357 1.00 0.00 H new ATOM 0 HD2 TYR A 99 12.023 5.768 22.449 1.00 0.00 H new ATOM 0 HE1 TYR A 99 13.231 3.571 18.308 1.00 0.00 H new ATOM 0 HE2 TYR A 99 14.258 6.050 21.539 1.00 0.00 H new ATOM 0 HH TYR A 99 15.820 5.410 20.004 1.00 0.00 H new ATOM 1507 N ILE A 100 7.088 3.506 20.678 1.00 0.00 N ATOM 1508 CA ILE A 100 5.909 2.909 21.225 1.00 0.00 C ATOM 1509 C ILE A 100 6.328 1.556 21.688 1.00 0.00 C ATOM 1510 O ILE A 100 6.784 0.753 20.875 1.00 0.00 O ATOM 1511 CB ILE A 100 4.789 2.748 20.240 1.00 0.00 C ATOM 1512 CG1 ILE A 100 4.357 4.052 19.549 1.00 0.00 C ATOM 1513 CG2 ILE A 100 3.555 2.099 20.888 1.00 0.00 C ATOM 1514 CD1 ILE A 100 3.513 3.695 18.326 1.00 0.00 C ATOM 0 H ILE A 100 7.515 2.943 19.943 1.00 0.00 H new ATOM 0 HA ILE A 100 5.521 3.555 22.012 1.00 0.00 H new ATOM 0 HB ILE A 100 5.201 2.095 19.471 1.00 0.00 H new ATOM 0 HG12 ILE A 100 3.784 4.673 20.237 1.00 0.00 H new ATOM 0 HG13 ILE A 100 5.231 4.630 19.250 1.00 0.00 H new ATOM 0 HG21 ILE A 100 2.764 1.998 20.145 1.00 0.00 H new ATOM 0 HG22 ILE A 100 3.821 1.114 21.271 1.00 0.00 H new ATOM 0 HG23 ILE A 100 3.204 2.724 21.709 1.00 0.00 H new ATOM 0 HD11 ILE A 100 3.197 4.609 17.823 1.00 0.00 H new ATOM 0 HD12 ILE A 100 4.105 3.089 17.640 1.00 0.00 H new ATOM 0 HD13 ILE A 100 2.634 3.133 18.642 1.00 0.00 H new ATOM 1526 N SER A 101 6.214 1.248 22.992 1.00 0.00 N ATOM 1527 CA SER A 101 6.373 -0.069 23.526 1.00 0.00 C ATOM 1528 C SER A 101 5.125 -0.874 23.406 1.00 0.00 C ATOM 1529 O SER A 101 4.061 -0.369 23.054 1.00 0.00 O ATOM 1530 CB SER A 101 6.989 -0.052 24.936 1.00 0.00 C ATOM 1531 OG SER A 101 6.079 0.284 25.973 1.00 0.00 O ATOM 0 H SER A 101 6.002 1.946 23.705 1.00 0.00 H new ATOM 0 HA SER A 101 7.104 -0.591 22.909 1.00 0.00 H new ATOM 0 HB2 SER A 101 7.412 -1.034 25.146 1.00 0.00 H new ATOM 0 HB3 SER A 101 7.814 0.660 24.949 1.00 0.00 H new ATOM 0 HG SER A 101 6.546 0.271 26.835 1.00 0.00 H new ATOM 1537 N ALA A 102 5.095 -2.190 23.681 1.00 0.00 N ATOM 1538 CA ALA A 102 3.902 -2.974 23.607 1.00 0.00 C ATOM 1539 C ALA A 102 2.888 -2.521 24.601 1.00 0.00 C ATOM 1540 O ALA A 102 1.682 -2.586 24.370 1.00 0.00 O ATOM 1541 CB ALA A 102 4.128 -4.475 23.857 1.00 0.00 C ATOM 0 H ALA A 102 5.919 -2.722 23.961 1.00 0.00 H new ATOM 0 HA ALA A 102 3.553 -2.831 22.584 1.00 0.00 H new ATOM 0 HB1 ALA A 102 3.177 -5.003 23.784 1.00 0.00 H new ATOM 0 HB2 ALA A 102 4.819 -4.868 23.112 1.00 0.00 H new ATOM 0 HB3 ALA A 102 4.548 -4.619 24.853 1.00 0.00 H new ATOM 1547 N ALA A 103 3.364 -2.083 25.781 1.00 0.00 N ATOM 1548 CA ALA A 103 2.566 -1.594 26.862 1.00 0.00 C ATOM 1549 C ALA A 103 1.814 -0.346 26.552 1.00 0.00 C ATOM 1550 O ALA A 103 0.697 -0.133 27.020 1.00 0.00 O ATOM 1551 CB ALA A 103 3.420 -1.445 28.133 1.00 0.00 C ATOM 0 H ALA A 103 4.362 -2.070 25.991 1.00 0.00 H new ATOM 0 HA ALA A 103 1.795 -2.345 27.037 1.00 0.00 H new ATOM 0 HB1 ALA A 103 2.799 -1.072 28.947 1.00 0.00 H new ATOM 0 HB2 ALA A 103 3.835 -2.415 28.408 1.00 0.00 H new ATOM 0 HB3 ALA A 103 4.232 -0.743 27.945 1.00 0.00 H new ATOM 1557 N GLU A 104 2.393 0.535 25.717 1.00 0.00 N ATOM 1558 CA GLU A 104 1.724 1.678 25.176 1.00 0.00 C ATOM 1559 C GLU A 104 0.692 1.301 24.169 1.00 0.00 C ATOM 1560 O GLU A 104 -0.444 1.772 24.139 1.00 0.00 O ATOM 1561 CB GLU A 104 2.727 2.678 24.578 1.00 0.00 C ATOM 1562 CG GLU A 104 3.883 2.976 25.535 1.00 0.00 C ATOM 1563 CD GLU A 104 4.905 3.892 24.877 1.00 0.00 C ATOM 1564 OE1 GLU A 104 4.725 5.138 24.851 1.00 0.00 O ATOM 1565 OE2 GLU A 104 6.023 3.421 24.534 1.00 0.00 O ATOM 0 H GLU A 104 3.361 0.449 25.407 1.00 0.00 H new ATOM 0 HA GLU A 104 1.208 2.163 26.005 1.00 0.00 H new ATOM 0 HB2 GLU A 104 3.124 2.279 23.645 1.00 0.00 H new ATOM 0 HB3 GLU A 104 2.211 3.606 24.334 1.00 0.00 H new ATOM 0 HG2 GLU A 104 3.499 3.443 26.442 1.00 0.00 H new ATOM 0 HG3 GLU A 104 4.363 2.044 25.835 1.00 0.00 H new ATOM 1572 N LEU A 105 1.051 0.409 23.229 1.00 0.00 N ATOM 1573 CA LEU A 105 0.190 -0.203 22.265 1.00 0.00 C ATOM 1574 C LEU A 105 -1.021 -0.819 22.875 1.00 0.00 C ATOM 1575 O LEU A 105 -2.150 -0.641 22.421 1.00 0.00 O ATOM 1576 CB LEU A 105 0.859 -1.110 21.218 1.00 0.00 C ATOM 1577 CG LEU A 105 0.008 -1.638 20.050 1.00 0.00 C ATOM 1578 CD1 LEU A 105 0.874 -1.756 18.784 1.00 0.00 C ATOM 1579 CD2 LEU A 105 -0.653 -2.999 20.326 1.00 0.00 C ATOM 0 H LEU A 105 2.016 0.093 23.137 1.00 0.00 H new ATOM 0 HA LEU A 105 -0.141 0.648 21.669 1.00 0.00 H new ATOM 0 HB2 LEU A 105 1.700 -0.561 20.793 1.00 0.00 H new ATOM 0 HB3 LEU A 105 1.273 -1.972 21.742 1.00 0.00 H new ATOM 0 HG LEU A 105 -0.795 -0.914 19.915 1.00 0.00 H new ATOM 0 HD11 LEU A 105 0.266 -2.130 17.961 1.00 0.00 H new ATOM 0 HD12 LEU A 105 1.273 -0.776 18.524 1.00 0.00 H new ATOM 0 HD13 LEU A 105 1.697 -2.446 18.969 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -1.235 -3.304 19.456 1.00 0.00 H new ATOM 0 HD22 LEU A 105 0.117 -3.744 20.526 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -1.310 -2.915 21.192 1.00 0.00 H new ATOM 1591 N ARG A 106 -0.920 -1.539 24.007 1.00 0.00 N ATOM 1592 CA ARG A 106 -1.996 -2.129 24.741 1.00 0.00 C ATOM 1593 C ARG A 106 -2.802 -1.152 25.526 1.00 0.00 C ATOM 1594 O ARG A 106 -4.015 -1.254 25.704 1.00 0.00 O ATOM 1595 CB ARG A 106 -1.446 -3.246 25.643 1.00 0.00 C ATOM 1596 CG ARG A 106 -2.514 -4.167 26.237 1.00 0.00 C ATOM 1597 CD ARG A 106 -1.921 -5.308 27.066 1.00 0.00 C ATOM 1598 NE ARG A 106 -3.091 -6.226 27.152 1.00 0.00 N ATOM 1599 CZ ARG A 106 -2.988 -7.559 27.428 1.00 0.00 C ATOM 1600 NH1 ARG A 106 -1.721 -8.014 27.654 1.00 0.00 N ATOM 1601 NH2 ARG A 106 -4.021 -8.413 27.170 1.00 0.00 N ATOM 0 H ARG A 106 -0.015 -1.722 24.441 1.00 0.00 H new ATOM 0 HA ARG A 106 -2.689 -2.545 24.010 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -0.745 -3.849 25.066 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -0.882 -2.793 26.458 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -3.185 -3.580 26.864 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -3.116 -4.585 25.430 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -1.065 -5.773 26.577 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -1.584 -4.974 28.047 1.00 0.00 H new ATOM 0 HE ARG A 106 -4.021 -5.837 26.996 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -0.932 -7.369 27.610 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -1.563 -8.999 27.867 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -4.887 -8.058 26.765 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -3.927 -9.406 27.382 1.00 0.00 H new ATOM 1615 N HIS A 107 -2.210 -0.074 26.069 1.00 0.00 N ATOM 1616 CA HIS A 107 -2.827 1.117 26.565 1.00 0.00 C ATOM 1617 C HIS A 107 -3.822 1.723 25.637 1.00 0.00 C ATOM 1618 O HIS A 107 -4.951 2.061 25.991 1.00 0.00 O ATOM 1619 CB HIS A 107 -1.863 2.128 27.207 1.00 0.00 C ATOM 1620 CG HIS A 107 -2.368 3.441 27.728 1.00 0.00 C ATOM 1621 ND1 HIS A 107 -3.096 3.711 28.869 1.00 0.00 N ATOM 1622 CD2 HIS A 107 -2.186 4.662 27.158 1.00 0.00 C ATOM 1623 CE1 HIS A 107 -3.275 5.056 28.962 1.00 0.00 C ATOM 1624 NE2 HIS A 107 -2.724 5.670 27.932 1.00 0.00 N ATOM 0 H HIS A 107 -1.196 -0.035 26.170 1.00 0.00 H new ATOM 0 HA HIS A 107 -3.422 0.764 27.407 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -1.372 1.621 28.037 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -1.093 2.350 26.469 1.00 0.00 H new ATOM 0 HD1 HIS A 107 -3.442 3.017 29.532 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -1.683 4.823 26.216 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -3.796 5.553 29.767 1.00 0.00 H new ATOM 1632 N VAL A 108 -3.458 1.933 24.360 1.00 0.00 N ATOM 1633 CA VAL A 108 -4.248 2.447 23.284 1.00 0.00 C ATOM 1634 C VAL A 108 -5.482 1.638 23.074 1.00 0.00 C ATOM 1635 O VAL A 108 -6.600 2.149 23.040 1.00 0.00 O ATOM 1636 CB VAL A 108 -3.540 2.646 21.977 1.00 0.00 C ATOM 1637 CG1 VAL A 108 -4.442 2.991 20.780 1.00 0.00 C ATOM 1638 CG2 VAL A 108 -2.448 3.706 22.201 1.00 0.00 C ATOM 0 H VAL A 108 -2.510 1.719 24.051 1.00 0.00 H new ATOM 0 HA VAL A 108 -4.504 3.451 23.623 1.00 0.00 H new ATOM 0 HB VAL A 108 -3.112 1.687 21.684 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -3.830 3.114 19.887 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -5.159 2.186 20.621 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -4.977 3.919 20.983 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -1.910 3.877 21.268 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -2.908 4.638 22.531 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -1.751 3.355 22.962 1.00 0.00 H new ATOM 1648 N MET A 109 -5.385 0.297 23.101 1.00 0.00 N ATOM 1649 CA MET A 109 -6.479 -0.607 22.923 1.00 0.00 C ATOM 1650 C MET A 109 -7.412 -0.734 24.078 1.00 0.00 C ATOM 1651 O MET A 109 -8.627 -0.668 23.902 1.00 0.00 O ATOM 1652 CB MET A 109 -5.956 -1.960 22.414 1.00 0.00 C ATOM 1653 CG MET A 109 -5.158 -1.826 21.116 1.00 0.00 C ATOM 1654 SD MET A 109 -6.332 -1.458 19.778 1.00 0.00 S ATOM 1655 CE MET A 109 -4.892 -1.600 18.681 1.00 0.00 C ATOM 0 H MET A 109 -4.497 -0.181 23.255 1.00 0.00 H new ATOM 0 HA MET A 109 -7.120 -0.161 22.162 1.00 0.00 H new ATOM 0 HB2 MET A 109 -5.326 -2.414 23.179 1.00 0.00 H new ATOM 0 HB3 MET A 109 -6.797 -2.634 22.252 1.00 0.00 H new ATOM 0 HG2 MET A 109 -4.417 -1.031 21.203 1.00 0.00 H new ATOM 0 HG3 MET A 109 -4.614 -2.747 20.905 1.00 0.00 H new ATOM 0 HE1 MET A 109 -4.914 -0.796 17.946 1.00 0.00 H new ATOM 0 HE2 MET A 109 -3.978 -1.528 19.270 1.00 0.00 H new ATOM 0 HE3 MET A 109 -4.919 -2.561 18.168 1.00 0.00 H new ATOM 1665 N THR A 110 -6.915 -0.654 25.325 1.00 0.00 N ATOM 1666 CA THR A 110 -7.825 -0.636 26.429 1.00 0.00 C ATOM 1667 C THR A 110 -8.466 0.701 26.572 1.00 0.00 C ATOM 1668 O THR A 110 -9.639 0.823 26.923 1.00 0.00 O ATOM 1669 CB THR A 110 -7.238 -0.836 27.795 1.00 0.00 C ATOM 1670 OG1 THR A 110 -6.102 -0.019 28.034 1.00 0.00 O ATOM 1671 CG2 THR A 110 -6.803 -2.307 27.903 1.00 0.00 C ATOM 0 H THR A 110 -5.925 -0.604 25.565 1.00 0.00 H new ATOM 0 HA THR A 110 -8.483 -1.465 26.170 1.00 0.00 H new ATOM 0 HB THR A 110 -7.995 -0.565 28.531 1.00 0.00 H new ATOM 0 HG1 THR A 110 -5.888 0.488 27.223 1.00 0.00 H new ATOM 0 HG21 THR A 110 -6.370 -2.487 28.887 1.00 0.00 H new ATOM 0 HG22 THR A 110 -7.669 -2.954 27.763 1.00 0.00 H new ATOM 0 HG23 THR A 110 -6.061 -2.524 27.135 1.00 0.00 H new ATOM 1679 N ASN A 111 -7.806 1.836 26.279 1.00 0.00 N ATOM 1680 CA ASN A 111 -8.353 3.157 26.243 1.00 0.00 C ATOM 1681 C ASN A 111 -9.581 3.354 25.423 1.00 0.00 C ATOM 1682 O ASN A 111 -10.621 3.836 25.870 1.00 0.00 O ATOM 1683 CB ASN A 111 -7.344 4.229 25.798 1.00 0.00 C ATOM 1684 CG ASN A 111 -6.304 4.481 26.880 1.00 0.00 C ATOM 1685 OD1 ASN A 111 -6.417 4.235 28.080 1.00 0.00 O ATOM 1686 ND2 ASN A 111 -5.148 5.039 26.431 1.00 0.00 N ATOM 0 H ASN A 111 -6.812 1.828 26.050 1.00 0.00 H new ATOM 0 HA ASN A 111 -8.628 3.278 27.291 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -6.850 3.910 24.881 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -7.870 5.156 25.571 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -4.394 5.246 27.086 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -5.035 5.250 25.440 1.00 0.00 H new ATOM 1693 N LEU A 112 -9.444 2.955 24.146 1.00 0.00 N ATOM 1694 CA LEU A 112 -10.584 2.989 23.283 1.00 0.00 C ATOM 1695 C LEU A 112 -11.684 2.042 23.619 1.00 0.00 C ATOM 1696 O LEU A 112 -12.836 2.472 23.673 1.00 0.00 O ATOM 1697 CB LEU A 112 -10.005 2.508 21.942 1.00 0.00 C ATOM 1698 CG LEU A 112 -9.047 3.472 21.222 1.00 0.00 C ATOM 1699 CD1 LEU A 112 -8.501 2.871 19.916 1.00 0.00 C ATOM 1700 CD2 LEU A 112 -9.675 4.853 20.973 1.00 0.00 C ATOM 0 H LEU A 112 -8.579 2.621 23.722 1.00 0.00 H new ATOM 0 HA LEU A 112 -11.029 3.983 23.327 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -9.478 1.570 22.115 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -10.836 2.288 21.271 1.00 0.00 H new ATOM 0 HG LEU A 112 -8.205 3.621 21.898 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -7.829 3.585 19.440 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -7.957 1.953 20.138 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -9.329 2.649 19.243 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -8.956 5.493 20.462 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -10.565 4.742 20.354 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -9.950 5.305 21.926 1.00 0.00 H new ATOM 1712 N GLY A 113 -11.387 0.759 23.890 1.00 0.00 N ATOM 1713 CA GLY A 113 -12.277 -0.202 24.463 1.00 0.00 C ATOM 1714 C GLY A 113 -12.395 -1.364 23.536 1.00 0.00 C ATOM 1715 O GLY A 113 -13.443 -1.998 23.427 1.00 0.00 O ATOM 0 H GLY A 113 -10.465 0.368 23.696 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -11.904 -0.530 25.433 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -13.256 0.246 24.633 1.00 0.00 H new ATOM 1719 N GLU A 114 -11.282 -1.545 22.803 1.00 0.00 N ATOM 1720 CA GLU A 114 -11.043 -2.439 21.713 1.00 0.00 C ATOM 1721 C GLU A 114 -10.483 -3.697 22.283 1.00 0.00 C ATOM 1722 O GLU A 114 -9.400 -3.714 22.866 1.00 0.00 O ATOM 1723 CB GLU A 114 -10.046 -2.005 20.625 1.00 0.00 C ATOM 1724 CG GLU A 114 -10.310 -0.765 19.768 1.00 0.00 C ATOM 1725 CD GLU A 114 -11.462 -1.059 18.818 1.00 0.00 C ATOM 1726 OE1 GLU A 114 -12.619 -1.333 19.234 1.00 0.00 O ATOM 1727 OE2 GLU A 114 -11.135 -0.973 17.604 1.00 0.00 O ATOM 0 H GLU A 114 -10.448 -0.993 23.003 1.00 0.00 H new ATOM 0 HA GLU A 114 -12.012 -2.511 21.218 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -9.083 -1.857 21.114 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -9.931 -2.847 19.942 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -10.553 0.087 20.403 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -9.416 -0.498 19.205 1.00 0.00 H new ATOM 1734 N LYS A 115 -11.212 -4.826 22.216 1.00 0.00 N ATOM 1735 CA LYS A 115 -10.980 -6.005 22.992 1.00 0.00 C ATOM 1736 C LYS A 115 -9.937 -6.911 22.434 1.00 0.00 C ATOM 1737 O LYS A 115 -10.136 -7.675 21.491 1.00 0.00 O ATOM 1738 CB LYS A 115 -12.291 -6.805 23.068 1.00 0.00 C ATOM 1739 CG LYS A 115 -13.409 -6.055 23.796 1.00 0.00 C ATOM 1740 CD LYS A 115 -14.806 -6.661 23.648 1.00 0.00 C ATOM 1741 CE LYS A 115 -15.829 -5.640 24.149 1.00 0.00 C ATOM 1742 NZ LYS A 115 -17.177 -6.122 23.774 1.00 0.00 N ATOM 0 H LYS A 115 -12.008 -4.921 21.585 1.00 0.00 H new ATOM 0 HA LYS A 115 -10.627 -5.664 23.965 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -12.621 -7.047 22.058 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -12.104 -7.750 23.577 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -13.162 -6.008 24.857 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -13.435 -5.029 23.429 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -15.001 -6.914 22.606 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -14.881 -7.586 24.220 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -15.753 -5.523 25.230 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -15.638 -4.661 23.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -17.893 -5.443 24.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -17.238 -6.213 22.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -17.349 -7.048 24.214 1.00 0.00 H new ATOM 1756 N LEU A 116 -8.713 -6.873 22.991 1.00 0.00 N ATOM 1757 CA LEU A 116 -7.477 -7.448 22.557 1.00 0.00 C ATOM 1758 C LEU A 116 -6.861 -8.246 23.654 1.00 0.00 C ATOM 1759 O LEU A 116 -6.757 -7.905 24.831 1.00 0.00 O ATOM 1760 CB LEU A 116 -6.417 -6.569 21.873 1.00 0.00 C ATOM 1761 CG LEU A 116 -6.688 -6.306 20.382 1.00 0.00 C ATOM 1762 CD1 LEU A 116 -7.799 -5.256 20.217 1.00 0.00 C ATOM 1763 CD2 LEU A 116 -5.444 -5.688 19.723 1.00 0.00 C ATOM 0 H LEU A 116 -8.578 -6.368 23.867 1.00 0.00 H new ATOM 0 HA LEU A 116 -7.812 -8.063 21.722 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -6.360 -5.614 22.395 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -5.443 -7.047 21.976 1.00 0.00 H new ATOM 0 HG LEU A 116 -6.962 -7.259 19.930 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -7.979 -5.081 19.156 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -8.714 -5.618 20.686 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -7.492 -4.324 20.692 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -5.644 -5.505 18.667 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -5.202 -4.746 20.215 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -4.603 -6.374 19.819 1.00 0.00 H new ATOM 1775 N THR A 117 -6.354 -9.419 23.236 1.00 0.00 N ATOM 1776 CA THR A 117 -5.644 -10.296 24.115 1.00 0.00 C ATOM 1777 C THR A 117 -4.172 -10.066 24.072 1.00 0.00 C ATOM 1778 O THR A 117 -3.685 -9.395 23.164 1.00 0.00 O ATOM 1779 CB THR A 117 -5.817 -11.759 23.836 1.00 0.00 C ATOM 1780 OG1 THR A 117 -5.410 -12.209 22.552 1.00 0.00 O ATOM 1781 CG2 THR A 117 -7.322 -12.061 23.934 1.00 0.00 C ATOM 0 H THR A 117 -6.437 -9.763 22.279 1.00 0.00 H new ATOM 0 HA THR A 117 -6.083 -10.053 25.083 1.00 0.00 H new ATOM 0 HB THR A 117 -5.180 -12.270 24.559 1.00 0.00 H new ATOM 0 HG1 THR A 117 -5.898 -11.713 21.862 1.00 0.00 H new ATOM 0 HG21 THR A 117 -7.494 -13.119 23.737 1.00 0.00 H new ATOM 0 HG22 THR A 117 -7.678 -11.815 24.934 1.00 0.00 H new ATOM 0 HG23 THR A 117 -7.862 -11.463 23.200 1.00 0.00 H new ATOM 1789 N ASP A 118 -3.372 -10.688 24.956 1.00 0.00 N ATOM 1790 CA ASP A 118 -1.944 -10.666 24.888 1.00 0.00 C ATOM 1791 C ASP A 118 -1.305 -11.127 23.623 1.00 0.00 C ATOM 1792 O ASP A 118 -0.300 -10.645 23.104 1.00 0.00 O ATOM 1793 CB ASP A 118 -1.470 -11.660 25.961 1.00 0.00 C ATOM 1794 CG ASP A 118 -1.904 -11.104 27.310 1.00 0.00 C ATOM 1795 OD1 ASP A 118 -3.142 -11.120 27.542 1.00 0.00 O ATOM 1796 OD2 ASP A 118 -1.094 -10.540 28.094 1.00 0.00 O ATOM 0 H ASP A 118 -3.732 -11.225 25.745 1.00 0.00 H new ATOM 0 HA ASP A 118 -1.662 -9.619 24.999 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -1.905 -12.645 25.792 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -0.387 -11.779 25.924 1.00 0.00 H new ATOM 1801 N GLU A 119 -1.898 -12.131 22.952 1.00 0.00 N ATOM 1802 CA GLU A 119 -1.305 -12.796 21.834 1.00 0.00 C ATOM 1803 C GLU A 119 -1.494 -11.968 20.609 1.00 0.00 C ATOM 1804 O GLU A 119 -0.638 -11.922 19.727 1.00 0.00 O ATOM 1805 CB GLU A 119 -1.999 -14.153 21.627 1.00 0.00 C ATOM 1806 CG GLU A 119 -2.099 -15.004 22.894 1.00 0.00 C ATOM 1807 CD GLU A 119 -2.675 -16.383 22.605 1.00 0.00 C ATOM 1808 OE1 GLU A 119 -3.657 -16.528 21.830 1.00 0.00 O ATOM 1809 OE2 GLU A 119 -2.099 -17.402 23.071 1.00 0.00 O ATOM 0 H GLU A 119 -2.820 -12.491 23.196 1.00 0.00 H new ATOM 0 HA GLU A 119 -0.241 -12.944 22.021 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -3.003 -13.980 21.239 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -1.456 -14.715 20.867 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -1.110 -15.109 23.340 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -2.726 -14.494 23.626 1.00 0.00 H new ATOM 1816 N GLU A 120 -2.568 -11.158 20.629 1.00 0.00 N ATOM 1817 CA GLU A 120 -2.858 -10.191 19.616 1.00 0.00 C ATOM 1818 C GLU A 120 -1.963 -9.001 19.663 1.00 0.00 C ATOM 1819 O GLU A 120 -1.446 -8.488 18.672 1.00 0.00 O ATOM 1820 CB GLU A 120 -4.335 -9.786 19.757 1.00 0.00 C ATOM 1821 CG GLU A 120 -5.173 -10.919 19.161 1.00 0.00 C ATOM 1822 CD GLU A 120 -6.626 -10.647 19.521 1.00 0.00 C ATOM 1823 OE1 GLU A 120 -6.994 -10.654 20.727 1.00 0.00 O ATOM 1824 OE2 GLU A 120 -7.358 -10.325 18.548 1.00 0.00 O ATOM 0 H GLU A 120 -3.260 -11.177 21.378 1.00 0.00 H new ATOM 0 HA GLU A 120 -2.674 -10.643 18.641 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -4.592 -9.627 20.804 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -4.529 -8.849 19.235 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -5.047 -10.962 18.079 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -4.853 -11.883 19.557 1.00 0.00 H new ATOM 1831 N VAL A 121 -1.652 -8.512 20.877 1.00 0.00 N ATOM 1832 CA VAL A 121 -0.670 -7.505 21.133 1.00 0.00 C ATOM 1833 C VAL A 121 0.726 -7.818 20.714 1.00 0.00 C ATOM 1834 O VAL A 121 1.301 -7.065 19.930 1.00 0.00 O ATOM 1835 CB VAL A 121 -0.753 -6.997 22.542 1.00 0.00 C ATOM 1836 CG1 VAL A 121 0.378 -6.035 22.946 1.00 0.00 C ATOM 1837 CG2 VAL A 121 -2.181 -6.469 22.759 1.00 0.00 C ATOM 0 H VAL A 121 -2.112 -8.838 21.727 1.00 0.00 H new ATOM 0 HA VAL A 121 -0.944 -6.694 20.458 1.00 0.00 H new ATOM 0 HB VAL A 121 -0.573 -7.816 23.238 1.00 0.00 H new ATOM 0 HG11 VAL A 121 0.236 -5.720 23.980 1.00 0.00 H new ATOM 0 HG12 VAL A 121 1.338 -6.542 22.850 1.00 0.00 H new ATOM 0 HG13 VAL A 121 0.362 -5.161 22.295 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -2.278 -6.090 23.776 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -2.383 -5.665 22.052 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -2.895 -7.277 22.603 1.00 0.00 H new ATOM 1847 N ASP A 122 1.249 -9.001 21.084 1.00 0.00 N ATOM 1848 CA ASP A 122 2.455 -9.555 20.550 1.00 0.00 C ATOM 1849 C ASP A 122 2.409 -9.654 19.064 1.00 0.00 C ATOM 1850 O ASP A 122 3.395 -9.318 18.410 1.00 0.00 O ATOM 1851 CB ASP A 122 2.549 -10.895 21.300 1.00 0.00 C ATOM 1852 CG ASP A 122 3.938 -11.413 20.954 1.00 0.00 C ATOM 1853 OD1 ASP A 122 4.968 -10.788 21.322 1.00 0.00 O ATOM 1854 OD2 ASP A 122 4.100 -12.482 20.307 1.00 0.00 O ATOM 0 H ASP A 122 0.812 -9.598 21.786 1.00 0.00 H new ATOM 0 HA ASP A 122 3.349 -8.950 20.700 1.00 0.00 H new ATOM 0 HB2 ASP A 122 2.429 -10.760 22.375 1.00 0.00 H new ATOM 0 HB3 ASP A 122 1.772 -11.588 20.977 1.00 0.00 H new ATOM 1859 N GLU A 123 1.329 -10.067 18.378 1.00 0.00 N ATOM 1860 CA GLU A 123 1.114 -10.142 16.966 1.00 0.00 C ATOM 1861 C GLU A 123 1.343 -8.834 16.289 1.00 0.00 C ATOM 1862 O GLU A 123 2.037 -8.746 15.277 1.00 0.00 O ATOM 1863 CB GLU A 123 -0.255 -10.795 16.714 1.00 0.00 C ATOM 1864 CG GLU A 123 -0.425 -11.431 15.333 1.00 0.00 C ATOM 1865 CD GLU A 123 -1.597 -12.401 15.375 1.00 0.00 C ATOM 1866 OE1 GLU A 123 -1.575 -13.529 15.936 1.00 0.00 O ATOM 1867 OE2 GLU A 123 -2.604 -11.889 14.815 1.00 0.00 O ATOM 0 H GLU A 123 0.503 -10.389 18.882 1.00 0.00 H new ATOM 0 HA GLU A 123 1.859 -10.784 16.497 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -0.421 -11.560 17.472 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -1.030 -10.041 16.848 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -0.601 -10.660 14.583 1.00 0.00 H new ATOM 0 HG3 GLU A 123 0.487 -11.954 15.045 1.00 0.00 H new ATOM 1874 N MET A 124 0.699 -7.774 16.809 1.00 0.00 N ATOM 1875 CA MET A 124 0.780 -6.432 16.321 1.00 0.00 C ATOM 1876 C MET A 124 2.179 -5.922 16.379 1.00 0.00 C ATOM 1877 O MET A 124 2.766 -5.564 15.359 1.00 0.00 O ATOM 1878 CB MET A 124 -0.201 -5.550 17.110 1.00 0.00 C ATOM 1879 CG MET A 124 -1.640 -5.855 16.689 1.00 0.00 C ATOM 1880 SD MET A 124 -2.964 -4.788 17.333 1.00 0.00 S ATOM 1881 CE MET A 124 -2.683 -3.349 16.260 1.00 0.00 C ATOM 0 H MET A 124 0.085 -7.860 17.619 1.00 0.00 H new ATOM 0 HA MET A 124 0.493 -6.406 15.270 1.00 0.00 H new ATOM 0 HB2 MET A 124 -0.082 -5.727 18.179 1.00 0.00 H new ATOM 0 HB3 MET A 124 0.022 -4.498 16.934 1.00 0.00 H new ATOM 0 HG2 MET A 124 -1.684 -5.821 15.600 1.00 0.00 H new ATOM 0 HG3 MET A 124 -1.864 -6.880 16.985 1.00 0.00 H new ATOM 0 HE1 MET A 124 -2.717 -2.438 16.857 1.00 0.00 H new ATOM 0 HE2 MET A 124 -1.706 -3.435 15.785 1.00 0.00 H new ATOM 0 HE3 MET A 124 -3.457 -3.310 15.494 1.00 0.00 H new ATOM 1891 N ILE A 125 2.797 -5.812 17.569 1.00 0.00 N ATOM 1892 CA ILE A 125 4.190 -5.526 17.713 1.00 0.00 C ATOM 1893 C ILE A 125 5.091 -6.316 16.828 1.00 0.00 C ATOM 1894 O ILE A 125 6.023 -5.753 16.255 1.00 0.00 O ATOM 1895 CB ILE A 125 4.484 -5.724 19.171 1.00 0.00 C ATOM 1896 CG1 ILE A 125 3.795 -4.772 20.163 1.00 0.00 C ATOM 1897 CG2 ILE A 125 5.980 -5.795 19.523 1.00 0.00 C ATOM 1898 CD1 ILE A 125 4.213 -3.312 19.995 1.00 0.00 C ATOM 0 H ILE A 125 2.311 -5.926 18.459 1.00 0.00 H new ATOM 0 HA ILE A 125 4.395 -4.507 17.386 1.00 0.00 H new ATOM 0 HB ILE A 125 4.027 -6.704 19.307 1.00 0.00 H new ATOM 0 HG12 ILE A 125 2.715 -4.849 20.038 1.00 0.00 H new ATOM 0 HG13 ILE A 125 4.022 -5.092 21.180 1.00 0.00 H new ATOM 0 HG21 ILE A 125 6.095 -5.939 20.597 1.00 0.00 H new ATOM 0 HG22 ILE A 125 6.439 -6.630 18.994 1.00 0.00 H new ATOM 0 HG23 ILE A 125 6.468 -4.866 19.228 1.00 0.00 H new ATOM 0 HD11 ILE A 125 3.689 -2.697 20.726 1.00 0.00 H new ATOM 0 HD12 ILE A 125 5.288 -3.221 20.149 1.00 0.00 H new ATOM 0 HD13 ILE A 125 3.961 -2.975 18.990 1.00 0.00 H new ATOM 1910 N ARG A 126 4.879 -7.637 16.691 1.00 0.00 N ATOM 1911 CA ARG A 126 5.748 -8.417 15.866 1.00 0.00 C ATOM 1912 C ARG A 126 5.786 -8.129 14.404 1.00 0.00 C ATOM 1913 O ARG A 126 6.789 -8.185 13.694 1.00 0.00 O ATOM 1914 CB ARG A 126 5.256 -9.870 15.968 1.00 0.00 C ATOM 1915 CG ARG A 126 6.282 -10.941 15.593 1.00 0.00 C ATOM 1916 CD ARG A 126 5.657 -12.310 15.315 1.00 0.00 C ATOM 1917 NE ARG A 126 5.035 -12.783 16.584 1.00 0.00 N ATOM 1918 CZ ARG A 126 3.846 -13.445 16.687 1.00 0.00 C ATOM 1919 NH1 ARG A 126 3.187 -13.735 15.528 1.00 0.00 N ATOM 1920 NH2 ARG A 126 3.301 -13.695 17.914 1.00 0.00 N ATOM 0 H ARG A 126 4.124 -8.156 17.140 1.00 0.00 H new ATOM 0 HA ARG A 126 6.746 -8.189 16.239 1.00 0.00 H new ATOM 0 HB2 ARG A 126 4.924 -10.052 16.990 1.00 0.00 H new ATOM 0 HB3 ARG A 126 4.384 -9.986 15.324 1.00 0.00 H new ATOM 0 HG2 ARG A 126 6.831 -10.614 14.710 1.00 0.00 H new ATOM 0 HG3 ARG A 126 7.007 -11.038 16.401 1.00 0.00 H new ATOM 0 HD2 ARG A 126 4.909 -12.237 14.525 1.00 0.00 H new ATOM 0 HD3 ARG A 126 6.414 -13.015 14.973 1.00 0.00 H new ATOM 0 HE ARG A 126 5.541 -12.596 17.450 1.00 0.00 H new ATOM 0 HH11 ARG A 126 3.586 -13.458 14.631 1.00 0.00 H new ATOM 0 HH12 ARG A 126 2.295 -14.229 15.558 1.00 0.00 H new ATOM 0 HH21 ARG A 126 3.783 -13.387 18.758 1.00 0.00 H new ATOM 0 HH22 ARG A 126 2.412 -14.190 17.986 1.00 0.00 H new ATOM 1934 N GLU A 127 4.613 -7.638 13.966 1.00 0.00 N ATOM 1935 CA GLU A 127 4.478 -7.249 12.596 1.00 0.00 C ATOM 1936 C GLU A 127 5.004 -5.874 12.366 1.00 0.00 C ATOM 1937 O GLU A 127 5.482 -5.514 11.291 1.00 0.00 O ATOM 1938 CB GLU A 127 3.055 -7.567 12.107 1.00 0.00 C ATOM 1939 CG GLU A 127 2.864 -7.564 10.589 1.00 0.00 C ATOM 1940 CD GLU A 127 1.431 -7.790 10.129 1.00 0.00 C ATOM 1941 OE1 GLU A 127 0.615 -6.846 10.308 1.00 0.00 O ATOM 1942 OE2 GLU A 127 1.063 -8.886 9.628 1.00 0.00 O ATOM 0 H GLU A 127 3.780 -7.512 14.541 1.00 0.00 H new ATOM 0 HA GLU A 127 5.119 -7.844 11.945 1.00 0.00 H new ATOM 0 HB2 GLU A 127 2.769 -8.547 12.490 1.00 0.00 H new ATOM 0 HB3 GLU A 127 2.369 -6.841 12.543 1.00 0.00 H new ATOM 0 HG2 GLU A 127 3.212 -6.609 10.194 1.00 0.00 H new ATOM 0 HG3 GLU A 127 3.497 -8.338 10.155 1.00 0.00 H new ATOM 1949 N ALA A 128 4.836 -4.976 13.353 1.00 0.00 N ATOM 1950 CA ALA A 128 5.297 -3.625 13.442 1.00 0.00 C ATOM 1951 C ALA A 128 6.749 -3.304 13.542 1.00 0.00 C ATOM 1952 O ALA A 128 7.257 -2.498 12.764 1.00 0.00 O ATOM 1953 CB ALA A 128 4.491 -2.850 14.497 1.00 0.00 C ATOM 0 H ALA A 128 4.312 -5.233 14.190 1.00 0.00 H new ATOM 0 HA ALA A 128 5.109 -3.293 12.421 1.00 0.00 H new ATOM 0 HB1 ALA A 128 4.855 -1.824 14.552 1.00 0.00 H new ATOM 0 HB2 ALA A 128 3.437 -2.847 14.220 1.00 0.00 H new ATOM 0 HB3 ALA A 128 4.609 -3.329 15.469 1.00 0.00 H new ATOM 1959 N ASP A 129 7.461 -3.914 14.506 1.00 0.00 N ATOM 1960 CA ASP A 129 8.831 -3.655 14.822 1.00 0.00 C ATOM 1961 C ASP A 129 9.715 -4.421 13.899 1.00 0.00 C ATOM 1962 O ASP A 129 9.538 -5.635 13.819 1.00 0.00 O ATOM 1963 CB ASP A 129 9.252 -3.977 16.266 1.00 0.00 C ATOM 1964 CG ASP A 129 10.757 -3.991 16.491 1.00 0.00 C ATOM 1965 OD1 ASP A 129 11.464 -2.971 16.276 1.00 0.00 O ATOM 1966 OD2 ASP A 129 11.177 -5.058 17.014 1.00 0.00 O ATOM 0 H ASP A 129 7.053 -4.634 15.102 1.00 0.00 H new ATOM 0 HA ASP A 129 8.940 -2.577 14.705 1.00 0.00 H new ATOM 0 HB2 ASP A 129 8.803 -3.243 16.935 1.00 0.00 H new ATOM 0 HB3 ASP A 129 8.846 -4.950 16.542 1.00 0.00 H new ATOM 1971 N ILE A 130 10.569 -3.728 13.124 1.00 0.00 N ATOM 1972 CA ILE A 130 11.356 -4.316 12.085 1.00 0.00 C ATOM 1973 C ILE A 130 12.674 -4.684 12.674 1.00 0.00 C ATOM 1974 O ILE A 130 13.033 -5.861 12.662 1.00 0.00 O ATOM 1975 CB ILE A 130 11.366 -3.409 10.890 1.00 0.00 C ATOM 1976 CG1 ILE A 130 9.993 -2.868 10.456 1.00 0.00 C ATOM 1977 CG2 ILE A 130 11.948 -4.156 9.678 1.00 0.00 C ATOM 1978 CD1 ILE A 130 8.947 -3.855 9.938 1.00 0.00 C ATOM 0 H ILE A 130 10.716 -2.724 13.224 1.00 0.00 H new ATOM 0 HA ILE A 130 10.944 -5.245 11.692 1.00 0.00 H new ATOM 0 HB ILE A 130 11.967 -2.556 11.206 1.00 0.00 H new ATOM 0 HG12 ILE A 130 9.560 -2.344 11.308 1.00 0.00 H new ATOM 0 HG13 ILE A 130 10.162 -2.125 9.676 1.00 0.00 H new ATOM 0 HG21 ILE A 130 11.954 -3.495 8.812 1.00 0.00 H new ATOM 0 HG22 ILE A 130 12.967 -4.472 9.900 1.00 0.00 H new ATOM 0 HG23 ILE A 130 11.336 -5.032 9.462 1.00 0.00 H new ATOM 0 HD11 ILE A 130 8.037 -3.316 9.675 1.00 0.00 H new ATOM 0 HD12 ILE A 130 9.334 -4.366 9.056 1.00 0.00 H new ATOM 0 HD13 ILE A 130 8.723 -4.588 10.713 1.00 0.00 H new ATOM 1990 N ASP A 131 13.252 -3.727 13.421 1.00 0.00 N ATOM 1991 CA ASP A 131 14.622 -3.987 13.738 1.00 0.00 C ATOM 1992 C ASP A 131 14.951 -4.794 14.947 1.00 0.00 C ATOM 1993 O ASP A 131 16.131 -5.013 15.216 1.00 0.00 O ATOM 1994 CB ASP A 131 15.350 -2.633 13.759 1.00 0.00 C ATOM 1995 CG ASP A 131 14.753 -1.589 14.692 1.00 0.00 C ATOM 1996 OD1 ASP A 131 14.446 -1.922 15.868 1.00 0.00 O ATOM 1997 OD2 ASP A 131 14.564 -0.407 14.297 1.00 0.00 O ATOM 0 H ASP A 131 12.832 -2.867 13.773 1.00 0.00 H new ATOM 0 HA ASP A 131 14.964 -4.663 12.955 1.00 0.00 H new ATOM 0 HB2 ASP A 131 16.388 -2.801 14.045 1.00 0.00 H new ATOM 0 HB3 ASP A 131 15.360 -2.229 12.747 1.00 0.00 H new ATOM 2002 N GLY A 132 13.954 -5.240 15.732 1.00 0.00 N ATOM 2003 CA GLY A 132 14.203 -6.228 16.735 1.00 0.00 C ATOM 2004 C GLY A 132 14.318 -5.656 18.106 1.00 0.00 C ATOM 2005 O GLY A 132 14.623 -6.410 19.028 1.00 0.00 O ATOM 0 H GLY A 132 12.987 -4.921 15.674 1.00 0.00 H new ATOM 0 HA2 GLY A 132 13.397 -6.962 16.721 1.00 0.00 H new ATOM 0 HA3 GLY A 132 15.123 -6.760 16.492 1.00 0.00 H new ATOM 2009 N ASP A 133 14.176 -4.330 18.280 1.00 0.00 N ATOM 2010 CA ASP A 133 14.245 -3.741 19.581 1.00 0.00 C ATOM 2011 C ASP A 133 13.042 -3.886 20.447 1.00 0.00 C ATOM 2012 O ASP A 133 13.089 -3.846 21.676 1.00 0.00 O ATOM 2013 CB ASP A 133 14.735 -2.283 19.580 1.00 0.00 C ATOM 2014 CG ASP A 133 13.886 -1.195 18.937 1.00 0.00 C ATOM 2015 OD1 ASP A 133 12.769 -1.517 18.450 1.00 0.00 O ATOM 2016 OD2 ASP A 133 14.228 0.016 18.986 1.00 0.00 O ATOM 0 H ASP A 133 14.014 -3.667 17.522 1.00 0.00 H new ATOM 0 HA ASP A 133 15.008 -4.364 20.048 1.00 0.00 H new ATOM 0 HB2 ASP A 133 14.898 -1.995 20.619 1.00 0.00 H new ATOM 0 HB3 ASP A 133 15.708 -2.268 19.088 1.00 0.00 H new ATOM 2021 N GLY A 134 11.918 -4.158 19.761 1.00 0.00 N ATOM 2022 CA GLY A 134 10.641 -4.322 20.383 1.00 0.00 C ATOM 2023 C GLY A 134 9.979 -2.994 20.519 1.00 0.00 C ATOM 2024 O GLY A 134 8.879 -3.000 21.070 1.00 0.00 O ATOM 0 H GLY A 134 11.896 -4.267 18.747 1.00 0.00 H new ATOM 0 HA2 GLY A 134 10.019 -4.991 19.789 1.00 0.00 H new ATOM 0 HA3 GLY A 134 10.759 -4.783 21.363 1.00 0.00 H new ATOM 2028 N GLN A 135 10.539 -1.882 20.010 1.00 0.00 N ATOM 2029 CA GLN A 135 10.015 -0.555 20.099 1.00 0.00 C ATOM 2030 C GLN A 135 9.650 -0.150 18.712 1.00 0.00 C ATOM 2031 O GLN A 135 10.475 -0.213 17.802 1.00 0.00 O ATOM 2032 CB GLN A 135 11.097 0.411 20.610 1.00 0.00 C ATOM 2033 CG GLN A 135 11.833 -0.132 21.837 1.00 0.00 C ATOM 2034 CD GLN A 135 12.761 0.929 22.410 1.00 0.00 C ATOM 2035 OE1 GLN A 135 12.620 1.299 23.574 1.00 0.00 O ATOM 2036 NE2 GLN A 135 13.692 1.423 21.549 1.00 0.00 N ATOM 0 H GLN A 135 11.422 -1.914 19.500 1.00 0.00 H new ATOM 0 HA GLN A 135 9.164 -0.526 20.780 1.00 0.00 H new ATOM 0 HB2 GLN A 135 11.816 0.601 19.813 1.00 0.00 H new ATOM 0 HB3 GLN A 135 10.638 1.367 20.859 1.00 0.00 H new ATOM 0 HG2 GLN A 135 11.112 -0.441 22.594 1.00 0.00 H new ATOM 0 HG3 GLN A 135 12.407 -1.017 21.563 1.00 0.00 H new ATOM 0 HE21 GLN A 135 13.747 1.064 20.596 1.00 0.00 H new ATOM 0 HE22 GLN A 135 14.335 2.153 21.857 1.00 0.00 H new ATOM 2045 N VAL A 136 8.358 0.197 18.567 1.00 0.00 N ATOM 2046 CA VAL A 136 7.898 0.612 17.279 1.00 0.00 C ATOM 2047 C VAL A 136 8.141 2.066 17.060 1.00 0.00 C ATOM 2048 O VAL A 136 7.536 2.910 17.719 1.00 0.00 O ATOM 2049 CB VAL A 136 6.449 0.242 17.170 1.00 0.00 C ATOM 2050 CG1 VAL A 136 5.988 0.552 15.736 1.00 0.00 C ATOM 2051 CG2 VAL A 136 6.139 -1.240 17.440 1.00 0.00 C ATOM 0 H VAL A 136 7.657 0.192 19.308 1.00 0.00 H new ATOM 0 HA VAL A 136 8.455 0.105 16.491 1.00 0.00 H new ATOM 0 HB VAL A 136 5.929 0.818 17.935 1.00 0.00 H new ATOM 0 HG11 VAL A 136 4.935 0.292 15.628 1.00 0.00 H new ATOM 0 HG12 VAL A 136 6.122 1.614 15.532 1.00 0.00 H new ATOM 0 HG13 VAL A 136 6.580 -0.030 15.030 1.00 0.00 H new ATOM 0 HG21 VAL A 136 5.067 -1.412 17.338 1.00 0.00 H new ATOM 0 HG22 VAL A 136 6.676 -1.861 16.723 1.00 0.00 H new ATOM 0 HG23 VAL A 136 6.454 -1.499 18.451 1.00 0.00 H new ATOM 2061 N ASN A 137 9.100 2.475 16.211 1.00 0.00 N ATOM 2062 CA ASN A 137 9.479 3.831 15.961 1.00 0.00 C ATOM 2063 C ASN A 137 8.548 4.463 14.984 1.00 0.00 C ATOM 2064 O ASN A 137 7.517 3.866 14.680 1.00 0.00 O ATOM 2065 CB ASN A 137 10.966 4.104 15.680 1.00 0.00 C ATOM 2066 CG ASN A 137 11.455 3.618 14.324 1.00 0.00 C ATOM 2067 OD1 ASN A 137 10.780 3.820 13.315 1.00 0.00 O ATOM 2068 ND2 ASN A 137 12.606 2.904 14.201 1.00 0.00 N ATOM 0 H ASN A 137 9.648 1.812 15.662 1.00 0.00 H new ATOM 0 HA ASN A 137 9.367 4.333 16.922 1.00 0.00 H new ATOM 0 HB2 ASN A 137 11.145 5.177 15.753 1.00 0.00 H new ATOM 0 HB3 ASN A 137 11.562 3.628 16.458 1.00 0.00 H new ATOM 0 HD21 ASN A 137 12.891 2.550 13.288 1.00 0.00 H new ATOM 0 HD22 ASN A 137 13.184 2.723 15.022 1.00 0.00 H new ATOM 2075 N TYR A 138 8.756 5.657 14.401 1.00 0.00 N ATOM 2076 CA TYR A 138 7.872 6.303 13.480 1.00 0.00 C ATOM 2077 C TYR A 138 7.670 5.548 12.211 1.00 0.00 C ATOM 2078 O TYR A 138 6.541 5.307 11.786 1.00 0.00 O ATOM 2079 CB TYR A 138 8.277 7.765 13.229 1.00 0.00 C ATOM 2080 CG TYR A 138 7.261 8.565 12.490 1.00 0.00 C ATOM 2081 CD1 TYR A 138 5.969 8.757 12.922 1.00 0.00 C ATOM 2082 CD2 TYR A 138 7.597 9.070 11.256 1.00 0.00 C ATOM 2083 CE1 TYR A 138 5.028 9.381 12.138 1.00 0.00 C ATOM 2084 CE2 TYR A 138 6.679 9.769 10.507 1.00 0.00 C ATOM 2085 CZ TYR A 138 5.379 9.925 10.925 1.00 0.00 C ATOM 2086 OH TYR A 138 4.406 10.571 10.132 1.00 0.00 O ATOM 0 H TYR A 138 9.596 6.206 14.585 1.00 0.00 H new ATOM 0 HA TYR A 138 6.896 6.313 13.965 1.00 0.00 H new ATOM 0 HB2 TYR A 138 8.473 8.245 14.188 1.00 0.00 H new ATOM 0 HB3 TYR A 138 9.212 7.780 12.668 1.00 0.00 H new ATOM 0 HD1 TYR A 138 5.686 8.408 13.904 1.00 0.00 H new ATOM 0 HD2 TYR A 138 8.594 8.916 10.870 1.00 0.00 H new ATOM 0 HE1 TYR A 138 4.005 9.444 12.478 1.00 0.00 H new ATOM 0 HE2 TYR A 138 6.987 10.205 9.568 1.00 0.00 H new ATOM 0 HH TYR A 138 4.821 10.899 9.307 1.00 0.00 H new ATOM 2096 N GLU A 139 8.746 5.094 11.545 1.00 0.00 N ATOM 2097 CA GLU A 139 8.681 4.405 10.293 1.00 0.00 C ATOM 2098 C GLU A 139 8.054 3.062 10.449 1.00 0.00 C ATOM 2099 O GLU A 139 7.388 2.708 9.477 1.00 0.00 O ATOM 2100 CB GLU A 139 10.091 4.338 9.682 1.00 0.00 C ATOM 2101 CG GLU A 139 10.266 3.934 8.217 1.00 0.00 C ATOM 2102 CD GLU A 139 11.725 3.675 7.871 1.00 0.00 C ATOM 2103 OE1 GLU A 139 12.440 2.919 8.582 1.00 0.00 O ATOM 2104 OE2 GLU A 139 12.214 4.166 6.818 1.00 0.00 O ATOM 0 H GLU A 139 9.698 5.211 11.891 1.00 0.00 H new ATOM 0 HA GLU A 139 8.040 4.953 9.603 1.00 0.00 H new ATOM 0 HB2 GLU A 139 10.546 5.321 9.805 1.00 0.00 H new ATOM 0 HB3 GLU A 139 10.673 3.640 10.284 1.00 0.00 H new ATOM 0 HG2 GLU A 139 9.680 3.037 8.015 1.00 0.00 H new ATOM 0 HG3 GLU A 139 9.875 4.722 7.574 1.00 0.00 H new ATOM 2111 N GLU A 140 8.230 2.380 11.594 1.00 0.00 N ATOM 2112 CA GLU A 140 7.693 1.115 11.989 1.00 0.00 C ATOM 2113 C GLU A 140 6.242 1.131 12.327 1.00 0.00 C ATOM 2114 O GLU A 140 5.462 0.205 12.112 1.00 0.00 O ATOM 2115 CB GLU A 140 8.460 0.587 13.213 1.00 0.00 C ATOM 2116 CG GLU A 140 9.955 0.478 12.904 1.00 0.00 C ATOM 2117 CD GLU A 140 10.717 -0.110 14.083 1.00 0.00 C ATOM 2118 OE1 GLU A 140 10.592 0.467 15.196 1.00 0.00 O ATOM 2119 OE2 GLU A 140 11.491 -1.091 13.926 1.00 0.00 O ATOM 0 H GLU A 140 8.822 2.766 12.330 1.00 0.00 H new ATOM 0 HA GLU A 140 7.809 0.471 11.118 1.00 0.00 H new ATOM 0 HB2 GLU A 140 8.306 1.254 14.061 1.00 0.00 H new ATOM 0 HB3 GLU A 140 8.070 -0.389 13.500 1.00 0.00 H new ATOM 0 HG2 GLU A 140 10.103 -0.147 12.023 1.00 0.00 H new ATOM 0 HG3 GLU A 140 10.353 1.464 12.665 1.00 0.00 H new ATOM 2126 N PHE A 141 5.760 2.352 12.622 1.00 0.00 N ATOM 2127 CA PHE A 141 4.395 2.768 12.710 1.00 0.00 C ATOM 2128 C PHE A 141 3.828 3.146 11.385 1.00 0.00 C ATOM 2129 O PHE A 141 2.758 2.630 11.066 1.00 0.00 O ATOM 2130 CB PHE A 141 4.290 3.821 13.827 1.00 0.00 C ATOM 2131 CG PHE A 141 2.890 4.189 14.182 1.00 0.00 C ATOM 2132 CD1 PHE A 141 2.249 3.485 15.174 1.00 0.00 C ATOM 2133 CD2 PHE A 141 2.309 5.263 13.550 1.00 0.00 C ATOM 2134 CE1 PHE A 141 1.000 3.905 15.568 1.00 0.00 C ATOM 2135 CE2 PHE A 141 1.077 5.682 13.992 1.00 0.00 C ATOM 2136 CZ PHE A 141 0.446 5.045 15.035 1.00 0.00 C ATOM 0 H PHE A 141 6.395 3.126 12.819 1.00 0.00 H new ATOM 0 HA PHE A 141 3.747 1.940 12.998 1.00 0.00 H new ATOM 0 HB2 PHE A 141 4.793 3.443 14.717 1.00 0.00 H new ATOM 0 HB3 PHE A 141 4.824 4.719 13.517 1.00 0.00 H new ATOM 0 HD1 PHE A 141 2.714 2.625 15.632 1.00 0.00 H new ATOM 0 HD2 PHE A 141 2.806 5.762 12.731 1.00 0.00 H new ATOM 0 HE1 PHE A 141 0.450 3.335 16.302 1.00 0.00 H new ATOM 0 HE2 PHE A 141 0.598 6.523 13.514 1.00 0.00 H new ATOM 0 HZ PHE A 141 -0.478 5.438 15.433 1.00 0.00 H new ATOM 2146 N VAL A 142 4.437 4.044 10.591 1.00 0.00 N ATOM 2147 CA VAL A 142 4.019 4.603 9.343 1.00 0.00 C ATOM 2148 C VAL A 142 3.732 3.539 8.340 1.00 0.00 C ATOM 2149 O VAL A 142 2.591 3.330 7.932 1.00 0.00 O ATOM 2150 CB VAL A 142 4.995 5.613 8.816 1.00 0.00 C ATOM 2151 CG1 VAL A 142 4.568 6.011 7.393 1.00 0.00 C ATOM 2152 CG2 VAL A 142 4.781 6.811 9.756 1.00 0.00 C ATOM 0 H VAL A 142 5.342 4.426 10.865 1.00 0.00 H new ATOM 0 HA VAL A 142 3.088 5.138 9.531 1.00 0.00 H new ATOM 0 HB VAL A 142 6.026 5.261 8.780 1.00 0.00 H new ATOM 0 HG11 VAL A 142 5.268 6.746 6.995 1.00 0.00 H new ATOM 0 HG12 VAL A 142 4.566 5.128 6.754 1.00 0.00 H new ATOM 0 HG13 VAL A 142 3.567 6.442 7.421 1.00 0.00 H new ATOM 0 HG21 VAL A 142 5.448 7.624 9.467 1.00 0.00 H new ATOM 0 HG22 VAL A 142 3.747 7.148 9.686 1.00 0.00 H new ATOM 0 HG23 VAL A 142 4.997 6.512 10.782 1.00 0.00 H new ATOM 2162 N GLN A 143 4.719 2.655 8.108 1.00 0.00 N ATOM 2163 CA GLN A 143 4.735 1.553 7.197 1.00 0.00 C ATOM 2164 C GLN A 143 3.700 0.514 7.458 1.00 0.00 C ATOM 2165 O GLN A 143 3.293 -0.256 6.590 1.00 0.00 O ATOM 2166 CB GLN A 143 6.135 0.916 7.192 1.00 0.00 C ATOM 2167 CG GLN A 143 6.278 -0.292 6.264 1.00 0.00 C ATOM 2168 CD GLN A 143 7.721 -0.775 6.238 1.00 0.00 C ATOM 2169 OE1 GLN A 143 8.351 -0.662 5.187 1.00 0.00 O ATOM 2170 NE2 GLN A 143 8.219 -1.201 7.430 1.00 0.00 N ATOM 0 H GLN A 143 5.601 2.723 8.616 1.00 0.00 H new ATOM 0 HA GLN A 143 4.488 1.965 6.219 1.00 0.00 H new ATOM 0 HB2 GLN A 143 6.863 1.672 6.899 1.00 0.00 H new ATOM 0 HB3 GLN A 143 6.385 0.610 8.208 1.00 0.00 H new ATOM 0 HG2 GLN A 143 5.625 -1.097 6.601 1.00 0.00 H new ATOM 0 HG3 GLN A 143 5.960 -0.024 5.257 1.00 0.00 H new ATOM 0 HE21 GLN A 143 7.610 -1.259 8.246 1.00 0.00 H new ATOM 0 HE22 GLN A 143 9.202 -1.462 7.508 1.00 0.00 H new ATOM 2179 N MET A 144 3.135 0.492 8.679 1.00 0.00 N ATOM 2180 CA MET A 144 2.081 -0.379 9.096 1.00 0.00 C ATOM 2181 C MET A 144 0.762 0.216 8.737 1.00 0.00 C ATOM 2182 O MET A 144 -0.128 -0.499 8.280 1.00 0.00 O ATOM 2183 CB MET A 144 2.234 -0.511 10.621 1.00 0.00 C ATOM 2184 CG MET A 144 1.183 -1.362 11.337 1.00 0.00 C ATOM 2185 SD MET A 144 0.772 -2.955 10.562 1.00 0.00 S ATOM 2186 CE MET A 144 2.328 -3.822 10.914 1.00 0.00 C ATOM 0 H MET A 144 3.435 1.124 9.422 1.00 0.00 H new ATOM 0 HA MET A 144 2.132 -1.354 8.611 1.00 0.00 H new ATOM 0 HB2 MET A 144 3.217 -0.933 10.831 1.00 0.00 H new ATOM 0 HB3 MET A 144 2.217 0.489 11.054 1.00 0.00 H new ATOM 0 HG2 MET A 144 1.532 -1.555 12.351 1.00 0.00 H new ATOM 0 HG3 MET A 144 0.268 -0.776 11.421 1.00 0.00 H new ATOM 0 HE1 MET A 144 2.881 -3.969 9.986 1.00 0.00 H new ATOM 0 HE2 MET A 144 2.928 -3.228 11.603 1.00 0.00 H new ATOM 0 HE3 MET A 144 2.111 -4.791 11.364 1.00 0.00 H new ATOM 2196 N MET A 145 0.610 1.543 8.893 1.00 0.00 N ATOM 2197 CA MET A 145 -0.636 2.209 8.672 1.00 0.00 C ATOM 2198 C MET A 145 -0.849 2.623 7.257 1.00 0.00 C ATOM 2199 O MET A 145 -1.964 2.789 6.764 1.00 0.00 O ATOM 2200 CB MET A 145 -0.850 3.451 9.554 1.00 0.00 C ATOM 2201 CG MET A 145 -0.810 3.030 11.024 1.00 0.00 C ATOM 2202 SD MET A 145 -1.806 4.102 12.103 1.00 0.00 S ATOM 2203 CE MET A 145 -1.654 2.859 13.417 1.00 0.00 C ATOM 0 H MET A 145 1.366 2.165 9.178 1.00 0.00 H new ATOM 0 HA MET A 145 -1.363 1.444 8.946 1.00 0.00 H new ATOM 0 HB2 MET A 145 -0.077 4.193 9.354 1.00 0.00 H new ATOM 0 HB3 MET A 145 -1.807 3.917 9.322 1.00 0.00 H new ATOM 0 HG2 MET A 145 -1.168 2.004 11.111 1.00 0.00 H new ATOM 0 HG3 MET A 145 0.224 3.037 11.369 1.00 0.00 H new ATOM 0 HE1 MET A 145 -2.028 3.272 14.354 1.00 0.00 H new ATOM 0 HE2 MET A 145 -2.236 1.976 13.152 1.00 0.00 H new ATOM 0 HE3 MET A 145 -0.607 2.581 13.535 1.00 0.00 H new