USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 745 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 11 HIS : no HD1:sc= -2.86! K(o=-2.9!,f=-2) USER MOD Set 1.2: A 12 GLN : amide:sc= -0.0662 K(o=-2.9,f=-2) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot -77:sc= -0.364! USER MOD Single : A 15 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.935! C(o=-0.94!,f=-1.4!) USER MOD Single : A 31 SER OG : rot 180:sc= 0.0307 USER MOD Single : A 33 SER OG : rot 180:sc= -0.124 USER MOD Single : A 34 SER OG : rot 180:sc= -0.863 USER MOD Single : A 36 SER OG : rot 35:sc= 0.555 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= -0.98 USER MOD Single : A 43 LYS NZ :NH3+ -142:sc= 2.01 (180deg=-0.00164) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= -0.692 K(o=-0.69,f=-1.7) USER MOD Single : A 49 LYS NZ :NH3+ -163:sc= -4.49! (180deg=-5.87!) USER MOD Single : A 50 HIS : no HE2:sc= 1.18 K(o=1.2,f=-5.1!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= 1.12 K(o=1.1,f=-0.059) USER MOD Single : A 58 ASN : amide:sc= -0.182 X(o=-0.18,f=-0.0054) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 CYS SG : rot 43:sc= 0.814 USER MOD Single : A 64 GLN : amide:sc= -0.162 K(o=-0.16,f=-2.3!) USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 69 THR OG1 : rot 130:sc= -0.78 USER MOD Single : A 70 MET CE :methyl 140:sc= -5.36 (180deg=-8.54!) USER MOD Single : A 76 HIS : no HD1:sc= -0.359 X(o=-0.36,f=-0.11) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 170:sc= -0.307 (180deg=-0.566) USER MOD Single : A 79 LYS NZ :NH3+ 165:sc= -0.166 (180deg=-0.597) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=-0.0097) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 42 N TRP A 3 9.024 3.676 10.209 1.00 0.00 N ATOM 43 CA TRP A 3 8.023 3.488 9.172 1.00 0.00 C ATOM 44 C TRP A 3 8.044 4.676 8.204 1.00 0.00 C ATOM 45 O TRP A 3 9.112 5.092 7.755 1.00 0.00 O ATOM 46 CB TRP A 3 6.640 3.314 9.816 1.00 0.00 C ATOM 47 CG TRP A 3 6.679 2.567 11.117 1.00 0.00 C ATOM 48 CD1 TRP A 3 6.600 3.101 12.371 1.00 0.00 C ATOM 49 CD2 TRP A 3 6.811 1.151 11.291 1.00 0.00 C ATOM 50 NE1 TRP A 3 6.677 2.105 13.314 1.00 0.00 N ATOM 51 CE2 TRP A 3 6.806 0.899 12.676 1.00 0.00 C ATOM 52 CE3 TRP A 3 6.935 0.073 10.411 1.00 0.00 C ATOM 53 CZ2 TRP A 3 6.917 -0.386 13.200 1.00 0.00 C ATOM 54 CZ3 TRP A 3 7.044 -1.203 10.932 1.00 0.00 C ATOM 55 CH2 TRP A 3 7.036 -1.423 12.315 1.00 0.00 C ATOM 0 HA TRP A 3 8.249 2.587 8.601 1.00 0.00 H new ATOM 0 HB2 TRP A 3 6.199 4.297 9.983 1.00 0.00 H new ATOM 0 HB3 TRP A 3 5.988 2.785 9.121 1.00 0.00 H new ATOM 0 HD1 TRP A 3 6.493 4.153 12.590 1.00 0.00 H new ATOM 0 HE1 TRP A 3 6.644 2.241 14.324 1.00 0.00 H new ATOM 0 HE3 TRP A 3 6.946 0.234 9.343 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 6.909 -0.558 14.266 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 7.137 -2.044 10.261 1.00 0.00 H new ATOM 0 HH2 TRP A 3 7.126 -2.432 12.691 1.00 0.00 H new ATOM 66 N TYR A 4 6.875 5.229 7.891 1.00 0.00 N ATOM 67 CA TYR A 4 6.792 6.370 6.991 1.00 0.00 C ATOM 68 C TYR A 4 6.992 7.669 7.765 1.00 0.00 C ATOM 69 O TYR A 4 6.162 8.045 8.592 1.00 0.00 O ATOM 70 CB TYR A 4 5.442 6.387 6.267 1.00 0.00 C ATOM 71 CG TYR A 4 4.249 6.309 7.194 1.00 0.00 C ATOM 72 CD1 TYR A 4 3.670 7.462 7.708 1.00 0.00 C ATOM 73 CD2 TYR A 4 3.700 5.084 7.551 1.00 0.00 C ATOM 74 CE1 TYR A 4 2.579 7.397 8.553 1.00 0.00 C ATOM 75 CE2 TYR A 4 2.608 5.011 8.394 1.00 0.00 C ATOM 76 CZ TYR A 4 2.051 6.170 8.892 1.00 0.00 C ATOM 77 OH TYR A 4 0.964 6.101 9.733 1.00 0.00 O ATOM 0 H TYR A 4 5.976 4.905 8.247 1.00 0.00 H new ATOM 0 HA TYR A 4 7.583 6.280 6.246 1.00 0.00 H new ATOM 0 HB2 TYR A 4 5.370 7.299 5.674 1.00 0.00 H new ATOM 0 HB3 TYR A 4 5.404 5.550 5.570 1.00 0.00 H new ATOM 0 HD1 TYR A 4 4.079 8.426 7.443 1.00 0.00 H new ATOM 0 HD2 TYR A 4 4.134 4.174 7.163 1.00 0.00 H new ATOM 0 HE1 TYR A 4 2.142 8.303 8.946 1.00 0.00 H new ATOM 0 HE2 TYR A 4 2.193 4.051 8.662 1.00 0.00 H new ATOM 0 HH TYR A 4 0.716 5.163 9.870 1.00 0.00 H new ATOM 129 N VAL A 8 5.979 9.877 1.341 1.00 0.00 N ATOM 130 CA VAL A 8 6.439 8.743 0.551 1.00 0.00 C ATOM 131 C VAL A 8 5.870 8.771 -0.879 1.00 0.00 C ATOM 132 O VAL A 8 5.027 9.607 -1.191 1.00 0.00 O ATOM 133 CB VAL A 8 6.100 7.390 1.226 1.00 0.00 C ATOM 134 CG1 VAL A 8 7.347 6.525 1.316 1.00 0.00 C ATOM 135 CG2 VAL A 8 5.500 7.586 2.617 1.00 0.00 C ATOM 0 HA VAL A 8 7.524 8.835 0.492 1.00 0.00 H new ATOM 0 HB VAL A 8 5.353 6.890 0.609 1.00 0.00 H new ATOM 0 HG11 VAL A 8 7.098 5.576 1.792 1.00 0.00 H new ATOM 0 HG12 VAL A 8 7.733 6.338 0.314 1.00 0.00 H new ATOM 0 HG13 VAL A 8 8.105 7.040 1.907 1.00 0.00 H new ATOM 0 HG21 VAL A 8 5.276 6.614 3.057 1.00 0.00 H new ATOM 0 HG22 VAL A 8 6.213 8.115 3.249 1.00 0.00 H new ATOM 0 HG23 VAL A 8 4.582 8.169 2.539 1.00 0.00 H new ATOM 145 N THR A 9 6.337 7.824 -1.714 1.00 0.00 N ATOM 146 CA THR A 9 5.907 7.649 -3.127 1.00 0.00 C ATOM 147 C THR A 9 7.001 7.838 -4.154 1.00 0.00 C ATOM 148 O THR A 9 7.883 8.673 -3.997 1.00 0.00 O ATOM 149 CB THR A 9 4.736 8.540 -3.532 1.00 0.00 C ATOM 150 OG1 THR A 9 5.007 9.905 -3.268 1.00 0.00 O ATOM 151 CG2 THR A 9 3.452 8.171 -2.851 1.00 0.00 C ATOM 0 H THR A 9 7.038 7.142 -1.426 1.00 0.00 H new ATOM 0 HA THR A 9 5.597 6.604 -3.134 1.00 0.00 H new ATOM 0 HB THR A 9 4.615 8.382 -4.604 1.00 0.00 H new ATOM 0 HG1 THR A 9 4.896 10.081 -2.310 1.00 0.00 H new ATOM 0 HG21 THR A 9 2.659 8.842 -3.182 1.00 0.00 H new ATOM 0 HG22 THR A 9 3.188 7.144 -3.104 1.00 0.00 H new ATOM 0 HG23 THR A 9 3.575 8.258 -1.771 1.00 0.00 H new ATOM 159 N ARG A 10 6.856 7.057 -5.241 1.00 0.00 N ATOM 160 CA ARG A 10 7.730 7.062 -6.420 1.00 0.00 C ATOM 161 C ARG A 10 9.185 7.395 -6.127 1.00 0.00 C ATOM 162 O ARG A 10 10.091 6.748 -6.646 1.00 0.00 O ATOM 163 CB ARG A 10 7.174 8.047 -7.441 1.00 0.00 C ATOM 164 CG ARG A 10 7.937 8.069 -8.754 1.00 0.00 C ATOM 165 CD ARG A 10 7.511 6.927 -9.662 1.00 0.00 C ATOM 166 NE ARG A 10 6.466 7.334 -10.598 1.00 0.00 N ATOM 167 CZ ARG A 10 5.977 6.545 -11.553 1.00 0.00 C ATOM 168 NH1 ARG A 10 6.432 5.307 -11.698 1.00 0.00 N ATOM 169 NH2 ARG A 10 5.029 6.996 -12.365 1.00 0.00 N ATOM 0 H ARG A 10 6.097 6.381 -5.321 1.00 0.00 H new ATOM 0 HA ARG A 10 7.735 6.042 -6.805 1.00 0.00 H new ATOM 0 HB2 ARG A 10 6.132 7.798 -7.642 1.00 0.00 H new ATOM 0 HB3 ARG A 10 7.185 9.048 -7.009 1.00 0.00 H new ATOM 0 HG2 ARG A 10 7.768 9.020 -9.259 1.00 0.00 H new ATOM 0 HG3 ARG A 10 9.007 7.999 -8.556 1.00 0.00 H new ATOM 0 HD2 ARG A 10 8.375 6.564 -10.219 1.00 0.00 H new ATOM 0 HD3 ARG A 10 7.151 6.096 -9.055 1.00 0.00 H new ATOM 0 HE ARG A 10 6.089 8.278 -10.515 1.00 0.00 H new ATOM 0 HH11 ARG A 10 7.160 4.955 -11.076 1.00 0.00 H new ATOM 0 HH12 ARG A 10 6.054 4.707 -12.431 1.00 0.00 H new ATOM 0 HH21 ARG A 10 4.675 7.947 -12.258 1.00 0.00 H new ATOM 0 HH22 ARG A 10 4.654 6.392 -13.097 1.00 0.00 H new ATOM 183 N HIS A 11 9.402 8.406 -5.317 1.00 0.00 N ATOM 184 CA HIS A 11 10.750 8.830 -4.969 1.00 0.00 C ATOM 185 C HIS A 11 11.026 8.520 -3.506 1.00 0.00 C ATOM 186 O HIS A 11 12.078 7.980 -3.152 1.00 0.00 O ATOM 187 CB HIS A 11 10.926 10.328 -5.278 1.00 0.00 C ATOM 188 CG HIS A 11 11.400 11.168 -4.126 1.00 0.00 C ATOM 189 ND1 HIS A 11 10.704 12.264 -3.660 1.00 0.00 N ATOM 190 CD2 HIS A 11 12.509 11.073 -3.353 1.00 0.00 C ATOM 191 CE1 HIS A 11 11.364 12.808 -2.653 1.00 0.00 C ATOM 192 NE2 HIS A 11 12.462 12.104 -2.447 1.00 0.00 N ATOM 0 H HIS A 11 8.662 8.956 -4.882 1.00 0.00 H new ATOM 0 HA HIS A 11 11.475 8.281 -5.570 1.00 0.00 H new ATOM 0 HB2 HIS A 11 11.636 10.432 -6.099 1.00 0.00 H new ATOM 0 HB3 HIS A 11 9.973 10.725 -5.628 1.00 0.00 H new ATOM 0 HD2 HIS A 11 13.285 10.326 -3.434 1.00 0.00 H new ATOM 0 HE1 HIS A 11 11.058 13.680 -2.094 1.00 0.00 H new ATOM 0 HE2 HIS A 11 13.162 12.295 -1.730 1.00 0.00 H new ATOM 201 N GLN A 12 10.059 8.842 -2.662 1.00 0.00 N ATOM 202 CA GLN A 12 10.177 8.587 -1.247 1.00 0.00 C ATOM 203 C GLN A 12 9.965 7.104 -0.975 1.00 0.00 C ATOM 204 O GLN A 12 10.748 6.470 -0.269 1.00 0.00 O ATOM 205 CB GLN A 12 9.144 9.413 -0.517 1.00 0.00 C ATOM 206 CG GLN A 12 9.325 10.908 -0.684 1.00 0.00 C ATOM 207 CD GLN A 12 8.117 11.581 -1.310 1.00 0.00 C ATOM 208 OE1 GLN A 12 7.256 12.114 -0.608 1.00 0.00 O ATOM 209 NE2 GLN A 12 8.046 11.562 -2.636 1.00 0.00 N ATOM 0 H GLN A 12 9.182 9.282 -2.940 1.00 0.00 H new ATOM 0 HA GLN A 12 11.172 8.862 -0.896 1.00 0.00 H new ATOM 0 HB2 GLN A 12 8.152 9.135 -0.873 1.00 0.00 H new ATOM 0 HB3 GLN A 12 9.181 9.169 0.545 1.00 0.00 H new ATOM 0 HG2 GLN A 12 9.521 11.357 0.290 1.00 0.00 H new ATOM 0 HG3 GLN A 12 10.202 11.096 -1.304 1.00 0.00 H new ATOM 0 HE21 GLN A 12 8.781 11.110 -3.180 1.00 0.00 H new ATOM 0 HE22 GLN A 12 7.257 12.000 -3.111 1.00 0.00 H new ATOM 218 N ALA A 13 8.905 6.552 -1.568 1.00 0.00 N ATOM 219 CA ALA A 13 8.592 5.137 -1.429 1.00 0.00 C ATOM 220 C ALA A 13 9.840 4.313 -1.731 1.00 0.00 C ATOM 221 O ALA A 13 10.046 3.243 -1.161 1.00 0.00 O ATOM 222 CB ALA A 13 7.439 4.769 -2.351 1.00 0.00 C ATOM 0 H ALA A 13 8.248 7.070 -2.151 1.00 0.00 H new ATOM 0 HA ALA A 13 8.279 4.921 -0.407 1.00 0.00 H new ATOM 0 HB1 ALA A 13 7.210 3.709 -2.242 1.00 0.00 H new ATOM 0 HB2 ALA A 13 6.561 5.359 -2.089 1.00 0.00 H new ATOM 0 HB3 ALA A 13 7.719 4.975 -3.384 1.00 0.00 H new ATOM 228 N GLU A 14 10.706 4.861 -2.588 1.00 0.00 N ATOM 229 CA GLU A 14 11.972 4.211 -2.912 1.00 0.00 C ATOM 230 C GLU A 14 12.852 4.343 -1.711 1.00 0.00 C ATOM 231 O GLU A 14 13.442 3.388 -1.232 1.00 0.00 O ATOM 232 CB GLU A 14 12.679 4.859 -4.091 1.00 0.00 C ATOM 233 CG GLU A 14 11.737 5.408 -5.129 1.00 0.00 C ATOM 234 CD GLU A 14 11.533 4.462 -6.297 1.00 0.00 C ATOM 235 OE1 GLU A 14 12.430 4.384 -7.161 1.00 0.00 O ATOM 236 OE2 GLU A 14 10.476 3.800 -6.346 1.00 0.00 O ATOM 0 H GLU A 14 10.552 5.749 -3.066 1.00 0.00 H new ATOM 0 HA GLU A 14 11.771 3.174 -3.182 1.00 0.00 H new ATOM 0 HB2 GLU A 14 13.314 5.666 -3.725 1.00 0.00 H new ATOM 0 HB3 GLU A 14 13.335 4.125 -4.559 1.00 0.00 H new ATOM 0 HG2 GLU A 14 10.773 5.617 -4.664 1.00 0.00 H new ATOM 0 HG3 GLU A 14 12.125 6.357 -5.499 1.00 0.00 H new ATOM 243 N CYS A 15 12.898 5.560 -1.202 1.00 0.00 N ATOM 244 CA CYS A 15 13.679 5.846 -0.005 1.00 0.00 C ATOM 245 C CYS A 15 13.387 4.793 1.074 1.00 0.00 C ATOM 246 O CYS A 15 14.190 4.580 1.982 1.00 0.00 O ATOM 247 CB CYS A 15 13.353 7.247 0.520 1.00 0.00 C ATOM 248 SG CYS A 15 14.792 8.170 1.108 1.00 0.00 S ATOM 0 H CYS A 15 12.408 6.365 -1.593 1.00 0.00 H new ATOM 0 HA CYS A 15 14.739 5.809 -0.258 1.00 0.00 H new ATOM 0 HB2 CYS A 15 12.869 7.817 -0.273 1.00 0.00 H new ATOM 0 HB3 CYS A 15 12.634 7.160 1.334 1.00 0.00 H new ATOM 0 HG CYS A 15 14.414 9.341 1.529 1.00 0.00 H new ATOM 254 N ALA A 16 12.228 4.132 0.951 1.00 0.00 N ATOM 255 CA ALA A 16 11.818 3.096 1.892 1.00 0.00 C ATOM 256 C ALA A 16 12.075 1.693 1.331 1.00 0.00 C ATOM 257 O ALA A 16 12.411 0.772 2.076 1.00 0.00 O ATOM 258 CB ALA A 16 10.344 3.265 2.225 1.00 0.00 C ATOM 0 H ALA A 16 11.558 4.303 0.201 1.00 0.00 H new ATOM 0 HA ALA A 16 12.414 3.203 2.799 1.00 0.00 H new ATOM 0 HB1 ALA A 16 10.039 2.490 2.928 1.00 0.00 H new ATOM 0 HB2 ALA A 16 10.182 4.246 2.673 1.00 0.00 H new ATOM 0 HB3 ALA A 16 9.753 3.181 1.313 1.00 0.00 H new ATOM 264 N LEU A 17 11.932 1.539 0.013 1.00 0.00 N ATOM 265 CA LEU A 17 12.168 0.248 -0.645 1.00 0.00 C ATOM 266 C LEU A 17 13.551 0.218 -1.288 1.00 0.00 C ATOM 267 O LEU A 17 14.035 -0.829 -1.715 1.00 0.00 O ATOM 268 CB LEU A 17 11.120 -0.016 -1.732 1.00 0.00 C ATOM 269 CG LEU A 17 9.662 0.254 -1.356 1.00 0.00 C ATOM 270 CD1 LEU A 17 8.745 -0.616 -2.191 1.00 0.00 C ATOM 271 CD2 LEU A 17 9.414 0.014 0.126 1.00 0.00 C ATOM 0 H LEU A 17 11.655 2.289 -0.620 1.00 0.00 H new ATOM 0 HA LEU A 17 12.098 -0.524 0.121 1.00 0.00 H new ATOM 0 HB2 LEU A 17 11.367 0.596 -2.600 1.00 0.00 H new ATOM 0 HB3 LEU A 17 11.205 -1.058 -2.042 1.00 0.00 H new ATOM 0 HG LEU A 17 9.449 1.303 -1.560 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.708 -0.419 -1.918 1.00 0.00 H new ATOM 0 HD12 LEU A 17 8.892 -0.390 -3.247 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.974 -1.666 -2.009 1.00 0.00 H new ATOM 0 HD21 LEU A 17 8.368 0.216 0.357 1.00 0.00 H new ATOM 0 HD22 LEU A 17 9.647 -1.022 0.371 1.00 0.00 H new ATOM 0 HD23 LEU A 17 10.050 0.677 0.713 1.00 0.00 H new ATOM 283 N ASN A 18 14.168 1.387 -1.354 1.00 0.00 N ATOM 284 CA ASN A 18 15.487 1.557 -1.941 1.00 0.00 C ATOM 285 C ASN A 18 15.479 1.219 -3.425 1.00 0.00 C ATOM 286 O ASN A 18 16.521 0.980 -4.035 1.00 0.00 O ATOM 287 CB ASN A 18 16.468 0.687 -1.188 1.00 0.00 C ATOM 288 CG ASN A 18 17.874 0.732 -1.756 1.00 0.00 C ATOM 289 OD1 ASN A 18 18.341 1.780 -2.202 1.00 0.00 O ATOM 290 ND2 ASN A 18 18.555 -0.407 -1.743 1.00 0.00 N ATOM 0 H ASN A 18 13.763 2.253 -0.998 1.00 0.00 H new ATOM 0 HA ASN A 18 15.788 2.601 -1.857 1.00 0.00 H new ATOM 0 HB2 ASN A 18 16.495 1.002 -0.145 1.00 0.00 H new ATOM 0 HB3 ASN A 18 16.112 -0.343 -1.200 1.00 0.00 H new ATOM 0 HD21 ASN A 18 19.505 -0.437 -2.113 1.00 0.00 H new ATOM 0 HD22 ASN A 18 18.128 -1.252 -1.363 1.00 0.00 H new ATOM 297 N GLU A 19 14.290 1.216 -3.994 1.00 0.00 N ATOM 298 CA GLU A 19 14.111 0.925 -5.410 1.00 0.00 C ATOM 299 C GLU A 19 12.632 0.935 -5.778 1.00 0.00 C ATOM 300 O GLU A 19 12.172 1.807 -6.514 1.00 0.00 O ATOM 301 CB GLU A 19 14.730 -0.433 -5.758 1.00 0.00 C ATOM 302 CG GLU A 19 15.876 -0.343 -6.754 1.00 0.00 C ATOM 303 CD GLU A 19 17.087 -1.149 -6.325 1.00 0.00 C ATOM 304 OE1 GLU A 19 16.900 -2.225 -5.718 1.00 0.00 O ATOM 305 OE2 GLU A 19 18.222 -0.706 -6.599 1.00 0.00 O ATOM 0 H GLU A 19 13.423 1.413 -3.495 1.00 0.00 H new ATOM 0 HA GLU A 19 14.617 1.701 -5.985 1.00 0.00 H new ATOM 0 HB2 GLU A 19 15.091 -0.903 -4.843 1.00 0.00 H new ATOM 0 HB3 GLU A 19 13.955 -1.082 -6.166 1.00 0.00 H new ATOM 0 HG2 GLU A 19 15.535 -0.697 -7.727 1.00 0.00 H new ATOM 0 HG3 GLU A 19 16.164 0.701 -6.877 1.00 0.00 H new ATOM 312 N ARG A 20 11.907 -0.052 -5.250 1.00 0.00 N ATOM 313 CA ARG A 20 10.467 -0.221 -5.487 1.00 0.00 C ATOM 314 C ARG A 20 10.115 -1.705 -5.491 1.00 0.00 C ATOM 315 O ARG A 20 8.956 -2.082 -5.317 1.00 0.00 O ATOM 316 CB ARG A 20 10.024 0.402 -6.817 1.00 0.00 C ATOM 317 CG ARG A 20 10.846 -0.064 -8.008 1.00 0.00 C ATOM 318 CD ARG A 20 9.968 -0.693 -9.079 1.00 0.00 C ATOM 319 NE ARG A 20 10.541 -0.545 -10.415 1.00 0.00 N ATOM 320 CZ ARG A 20 11.632 -1.185 -10.828 1.00 0.00 C ATOM 321 NH1 ARG A 20 12.278 -2.006 -10.009 1.00 0.00 N ATOM 322 NH2 ARG A 20 12.079 -1.003 -12.063 1.00 0.00 N ATOM 0 H ARG A 20 12.304 -0.766 -4.639 1.00 0.00 H new ATOM 0 HA ARG A 20 9.943 0.293 -4.681 1.00 0.00 H new ATOM 0 HB2 ARG A 20 8.976 0.159 -6.992 1.00 0.00 H new ATOM 0 HB3 ARG A 20 10.092 1.487 -6.741 1.00 0.00 H new ATOM 0 HG2 ARG A 20 11.388 0.782 -8.431 1.00 0.00 H new ATOM 0 HG3 ARG A 20 11.592 -0.787 -7.677 1.00 0.00 H new ATOM 0 HD2 ARG A 20 9.831 -1.752 -8.859 1.00 0.00 H new ATOM 0 HD3 ARG A 20 8.981 -0.232 -9.055 1.00 0.00 H new ATOM 0 HE ARG A 20 10.078 0.086 -11.069 1.00 0.00 H new ATOM 0 HH11 ARG A 20 11.939 -2.149 -9.058 1.00 0.00 H new ATOM 0 HH12 ARG A 20 13.114 -2.494 -10.331 1.00 0.00 H new ATOM 0 HH21 ARG A 20 11.587 -0.373 -12.696 1.00 0.00 H new ATOM 0 HH22 ARG A 20 12.915 -1.493 -12.380 1.00 0.00 H new ATOM 336 N GLY A 21 11.130 -2.542 -5.700 1.00 0.00 N ATOM 337 CA GLY A 21 10.924 -3.975 -5.734 1.00 0.00 C ATOM 338 C GLY A 21 11.941 -4.734 -4.899 1.00 0.00 C ATOM 339 O GLY A 21 12.712 -5.533 -5.431 1.00 0.00 O ATOM 0 H GLY A 21 12.095 -2.247 -5.847 1.00 0.00 H new ATOM 0 HA2 GLY A 21 9.921 -4.202 -5.373 1.00 0.00 H new ATOM 0 HA3 GLY A 21 10.977 -4.321 -6.766 1.00 0.00 H new ATOM 343 N VAL A 22 11.945 -4.491 -3.589 1.00 0.00 N ATOM 344 CA VAL A 22 12.881 -5.167 -2.691 1.00 0.00 C ATOM 345 C VAL A 22 12.163 -6.172 -1.794 1.00 0.00 C ATOM 346 O VAL A 22 11.252 -5.814 -1.048 1.00 0.00 O ATOM 347 CB VAL A 22 13.650 -4.163 -1.809 1.00 0.00 C ATOM 348 CG1 VAL A 22 14.596 -3.324 -2.654 1.00 0.00 C ATOM 349 CG2 VAL A 22 12.686 -3.278 -1.034 1.00 0.00 C ATOM 0 H VAL A 22 11.315 -3.835 -3.128 1.00 0.00 H new ATOM 0 HA VAL A 22 13.592 -5.696 -3.326 1.00 0.00 H new ATOM 0 HB VAL A 22 14.245 -4.725 -1.089 1.00 0.00 H new ATOM 0 HG11 VAL A 22 15.130 -2.621 -2.014 1.00 0.00 H new ATOM 0 HG12 VAL A 22 15.313 -3.976 -3.154 1.00 0.00 H new ATOM 0 HG13 VAL A 22 14.025 -2.773 -3.401 1.00 0.00 H new ATOM 0 HG21 VAL A 22 13.250 -2.577 -0.418 1.00 0.00 H new ATOM 0 HG22 VAL A 22 12.059 -2.724 -1.733 1.00 0.00 H new ATOM 0 HG23 VAL A 22 12.057 -3.898 -0.395 1.00 0.00 H new ATOM 359 N GLU A 23 12.585 -7.435 -1.879 1.00 0.00 N ATOM 360 CA GLU A 23 11.993 -8.518 -1.087 1.00 0.00 C ATOM 361 C GLU A 23 10.462 -8.450 -1.102 1.00 0.00 C ATOM 362 O GLU A 23 9.818 -9.019 -1.984 1.00 0.00 O ATOM 363 CB GLU A 23 12.520 -8.500 0.357 1.00 0.00 C ATOM 364 CG GLU A 23 13.035 -7.145 0.820 1.00 0.00 C ATOM 365 CD GLU A 23 13.744 -7.219 2.159 1.00 0.00 C ATOM 366 OE1 GLU A 23 14.902 -7.684 2.193 1.00 0.00 O ATOM 367 OE2 GLU A 23 13.141 -6.807 3.173 1.00 0.00 O ATOM 0 H GLU A 23 13.341 -7.736 -2.494 1.00 0.00 H new ATOM 0 HA GLU A 23 12.292 -9.459 -1.548 1.00 0.00 H new ATOM 0 HB2 GLU A 23 11.722 -8.820 1.027 1.00 0.00 H new ATOM 0 HB3 GLU A 23 13.324 -9.231 0.447 1.00 0.00 H new ATOM 0 HG2 GLU A 23 13.719 -6.745 0.072 1.00 0.00 H new ATOM 0 HG3 GLU A 23 12.200 -6.448 0.893 1.00 0.00 H new ATOM 374 N GLY A 24 9.888 -7.749 -0.128 1.00 0.00 N ATOM 375 CA GLY A 24 8.445 -7.615 -0.051 1.00 0.00 C ATOM 376 C GLY A 24 8.039 -6.520 0.909 1.00 0.00 C ATOM 377 O GLY A 24 7.653 -6.791 2.046 1.00 0.00 O ATOM 0 H GLY A 24 10.400 -7.269 0.612 1.00 0.00 H new ATOM 0 HA2 GLY A 24 8.046 -7.398 -1.042 1.00 0.00 H new ATOM 0 HA3 GLY A 24 8.008 -8.561 0.269 1.00 0.00 H new ATOM 381 N ASP A 25 8.147 -5.275 0.458 1.00 0.00 N ATOM 382 CA ASP A 25 7.812 -4.131 1.293 1.00 0.00 C ATOM 383 C ASP A 25 6.655 -3.321 0.711 1.00 0.00 C ATOM 384 O ASP A 25 6.567 -3.114 -0.500 1.00 0.00 O ATOM 385 CB ASP A 25 9.042 -3.237 1.456 1.00 0.00 C ATOM 386 CG ASP A 25 9.430 -3.043 2.908 1.00 0.00 C ATOM 387 OD1 ASP A 25 9.213 -3.975 3.711 1.00 0.00 O ATOM 388 OD2 ASP A 25 9.952 -1.959 3.243 1.00 0.00 O ATOM 0 H ASP A 25 8.464 -5.034 -0.481 1.00 0.00 H new ATOM 0 HA ASP A 25 7.494 -4.508 2.265 1.00 0.00 H new ATOM 0 HB2 ASP A 25 9.880 -3.676 0.915 1.00 0.00 H new ATOM 0 HB3 ASP A 25 8.844 -2.265 1.003 1.00 0.00 H new ATOM 393 N PHE A 26 5.782 -2.850 1.597 1.00 0.00 N ATOM 394 CA PHE A 26 4.630 -2.040 1.211 1.00 0.00 C ATOM 395 C PHE A 26 4.549 -0.813 2.097 1.00 0.00 C ATOM 396 O PHE A 26 4.717 -0.902 3.313 1.00 0.00 O ATOM 397 CB PHE A 26 3.333 -2.840 1.353 1.00 0.00 C ATOM 398 CG PHE A 26 2.356 -2.701 0.207 1.00 0.00 C ATOM 399 CD1 PHE A 26 2.269 -1.527 -0.518 1.00 0.00 C ATOM 400 CD2 PHE A 26 1.509 -3.750 -0.132 1.00 0.00 C ATOM 401 CE1 PHE A 26 1.362 -1.397 -1.556 1.00 0.00 C ATOM 402 CE2 PHE A 26 0.601 -3.627 -1.167 1.00 0.00 C ATOM 403 CZ PHE A 26 0.526 -2.448 -1.879 1.00 0.00 C ATOM 0 H PHE A 26 5.853 -3.018 2.601 1.00 0.00 H new ATOM 0 HA PHE A 26 4.754 -1.744 0.169 1.00 0.00 H new ATOM 0 HB2 PHE A 26 3.587 -3.894 1.466 1.00 0.00 H new ATOM 0 HB3 PHE A 26 2.835 -2.532 2.272 1.00 0.00 H new ATOM 0 HD1 PHE A 26 2.918 -0.700 -0.271 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.561 -4.676 0.422 1.00 0.00 H new ATOM 0 HE1 PHE A 26 1.308 -0.473 -2.113 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.049 -4.453 -1.418 1.00 0.00 H new ATOM 0 HZ PHE A 26 -0.184 -2.347 -2.686 1.00 0.00 H new ATOM 413 N LEU A 27 4.276 0.324 1.492 1.00 0.00 N ATOM 414 CA LEU A 27 4.158 1.561 2.250 1.00 0.00 C ATOM 415 C LEU A 27 2.994 2.407 1.755 1.00 0.00 C ATOM 416 O LEU A 27 2.972 2.840 0.603 1.00 0.00 O ATOM 417 CB LEU A 27 5.467 2.370 2.202 1.00 0.00 C ATOM 418 CG LEU A 27 5.999 2.727 0.806 1.00 0.00 C ATOM 419 CD1 LEU A 27 5.382 4.024 0.304 1.00 0.00 C ATOM 420 CD2 LEU A 27 7.518 2.833 0.835 1.00 0.00 C ATOM 0 H LEU A 27 4.132 0.422 0.487 1.00 0.00 H new ATOM 0 HA LEU A 27 3.961 1.287 3.287 1.00 0.00 H new ATOM 0 HB2 LEU A 27 5.317 3.296 2.757 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.237 1.805 2.727 1.00 0.00 H new ATOM 0 HG LEU A 27 5.716 1.932 0.116 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.775 4.255 -0.686 1.00 0.00 H new ATOM 0 HD12 LEU A 27 4.299 3.914 0.248 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.629 4.834 0.990 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.884 3.086 -0.160 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.815 3.610 1.540 1.00 0.00 H new ATOM 0 HD23 LEU A 27 7.943 1.879 1.146 1.00 0.00 H new ATOM 432 N ILE A 28 2.038 2.652 2.652 1.00 0.00 N ATOM 433 CA ILE A 28 0.874 3.470 2.337 1.00 0.00 C ATOM 434 C ILE A 28 0.986 4.785 3.091 1.00 0.00 C ATOM 435 O ILE A 28 1.427 4.811 4.240 1.00 0.00 O ATOM 436 CB ILE A 28 -0.462 2.763 2.678 1.00 0.00 C ATOM 437 CG1 ILE A 28 -1.660 3.577 2.190 1.00 0.00 C ATOM 438 CG2 ILE A 28 -0.585 2.505 4.159 1.00 0.00 C ATOM 439 CD1 ILE A 28 -2.950 2.784 2.199 1.00 0.00 C ATOM 0 H ILE A 28 2.051 2.292 3.606 1.00 0.00 H new ATOM 0 HA ILE A 28 0.862 3.646 1.261 1.00 0.00 H new ATOM 0 HB ILE A 28 -0.458 1.804 2.159 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -1.776 4.458 2.821 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.464 3.933 1.178 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -1.533 2.008 4.364 1.00 0.00 H new ATOM 0 HG22 ILE A 28 0.237 1.868 4.487 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -0.548 3.452 4.698 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -3.766 3.413 1.843 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.849 1.917 1.546 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -3.165 2.451 3.214 1.00 0.00 H new ATOM 451 N ARG A 29 0.641 5.879 2.434 1.00 0.00 N ATOM 452 CA ARG A 29 0.767 7.194 3.050 1.00 0.00 C ATOM 453 C ARG A 29 -0.494 8.032 2.880 1.00 0.00 C ATOM 454 O ARG A 29 -1.284 7.811 1.962 1.00 0.00 O ATOM 455 CB ARG A 29 1.968 7.929 2.448 1.00 0.00 C ATOM 456 CG ARG A 29 2.560 7.237 1.224 1.00 0.00 C ATOM 457 CD ARG A 29 3.294 8.214 0.327 1.00 0.00 C ATOM 458 NE ARG A 29 2.411 9.275 -0.166 1.00 0.00 N ATOM 459 CZ ARG A 29 2.281 10.470 0.411 1.00 0.00 C ATOM 460 NH1 ARG A 29 2.898 10.739 1.555 1.00 0.00 N ATOM 461 NH2 ARG A 29 1.505 11.392 -0.143 1.00 0.00 N ATOM 0 H ARG A 29 0.274 5.887 1.482 1.00 0.00 H new ATOM 0 HA ARG A 29 0.917 7.047 4.120 1.00 0.00 H new ATOM 0 HB2 ARG A 29 1.664 8.939 2.172 1.00 0.00 H new ATOM 0 HB3 ARG A 29 2.742 8.026 3.209 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.245 6.453 1.545 1.00 0.00 H new ATOM 0 HG3 ARG A 29 1.764 6.752 0.659 1.00 0.00 H new ATOM 0 HD2 ARG A 29 4.123 8.659 0.877 1.00 0.00 H new ATOM 0 HD3 ARG A 29 3.724 7.677 -0.519 1.00 0.00 H new ATOM 0 HE ARG A 29 1.861 9.087 -1.004 1.00 0.00 H new ATOM 0 HH11 ARG A 29 3.478 10.028 2.001 1.00 0.00 H new ATOM 0 HH12 ARG A 29 2.792 11.656 1.988 1.00 0.00 H new ATOM 0 HH21 ARG A 29 1.008 11.187 -1.010 1.00 0.00 H new ATOM 0 HH22 ARG A 29 1.405 12.306 0.298 1.00 0.00 H new ATOM 475 N ASP A 30 -0.666 9.002 3.773 1.00 0.00 N ATOM 476 CA ASP A 30 -1.821 9.888 3.730 1.00 0.00 C ATOM 477 C ASP A 30 -1.554 11.080 2.816 1.00 0.00 C ATOM 478 O ASP A 30 -0.667 11.890 3.082 1.00 0.00 O ATOM 479 CB ASP A 30 -2.175 10.378 5.135 1.00 0.00 C ATOM 480 CG ASP A 30 -2.213 9.251 6.149 1.00 0.00 C ATOM 481 OD1 ASP A 30 -2.822 8.203 5.849 1.00 0.00 O ATOM 482 OD2 ASP A 30 -1.635 9.418 7.244 1.00 0.00 O ATOM 0 H ASP A 30 -0.017 9.193 4.537 1.00 0.00 H new ATOM 0 HA ASP A 30 -2.664 9.324 3.331 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.445 11.123 5.451 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -3.146 10.873 5.110 1.00 0.00 H new ATOM 487 N SER A 31 -2.326 11.181 1.740 1.00 0.00 N ATOM 488 CA SER A 31 -2.168 12.276 0.790 1.00 0.00 C ATOM 489 C SER A 31 -3.084 13.442 1.147 1.00 0.00 C ATOM 490 O SER A 31 -4.233 13.244 1.542 1.00 0.00 O ATOM 491 CB SER A 31 -2.460 11.793 -0.632 1.00 0.00 C ATOM 492 OG SER A 31 -1.270 11.388 -1.287 1.00 0.00 O ATOM 0 H SER A 31 -3.066 10.520 1.504 1.00 0.00 H new ATOM 0 HA SER A 31 -1.136 12.623 0.840 1.00 0.00 H new ATOM 0 HB2 SER A 31 -3.163 10.960 -0.600 1.00 0.00 H new ATOM 0 HB3 SER A 31 -2.938 12.591 -1.200 1.00 0.00 H new ATOM 0 HG SER A 31 -1.483 11.082 -2.193 1.00 0.00 H new ATOM 498 N GLU A 32 -2.566 14.659 1.013 1.00 0.00 N ATOM 499 CA GLU A 32 -3.334 15.858 1.329 1.00 0.00 C ATOM 500 C GLU A 32 -4.213 16.288 0.154 1.00 0.00 C ATOM 501 O GLU A 32 -5.065 17.165 0.299 1.00 0.00 O ATOM 502 CB GLU A 32 -2.394 16.999 1.721 1.00 0.00 C ATOM 503 CG GLU A 32 -1.970 16.962 3.180 1.00 0.00 C ATOM 504 CD GLU A 32 -1.770 18.347 3.765 1.00 0.00 C ATOM 505 OE1 GLU A 32 -1.452 19.277 2.993 1.00 0.00 O ATOM 506 OE2 GLU A 32 -1.929 18.502 4.994 1.00 0.00 O ATOM 0 H GLU A 32 -1.617 14.841 0.687 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.987 15.621 2.169 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -1.505 16.959 1.092 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -2.886 17.950 1.518 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -2.725 16.432 3.761 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -1.043 16.396 3.271 1.00 0.00 H new ATOM 513 N SER A 33 -4.006 15.671 -1.008 1.00 0.00 N ATOM 514 CA SER A 33 -4.788 16.001 -2.198 1.00 0.00 C ATOM 515 C SER A 33 -6.283 15.969 -1.893 1.00 0.00 C ATOM 516 O SER A 33 -7.026 16.872 -2.279 1.00 0.00 O ATOM 517 CB SER A 33 -4.464 15.028 -3.333 1.00 0.00 C ATOM 518 OG SER A 33 -4.969 13.734 -3.055 1.00 0.00 O ATOM 0 H SER A 33 -3.306 14.943 -1.151 1.00 0.00 H new ATOM 0 HA SER A 33 -4.522 17.011 -2.509 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.892 15.396 -4.265 1.00 0.00 H new ATOM 0 HB3 SER A 33 -3.385 14.978 -3.476 1.00 0.00 H new ATOM 0 HG SER A 33 -4.750 13.131 -3.796 1.00 0.00 H new ATOM 524 N SER A 34 -6.714 14.928 -1.189 1.00 0.00 N ATOM 525 CA SER A 34 -8.118 14.780 -0.822 1.00 0.00 C ATOM 526 C SER A 34 -8.258 14.572 0.685 1.00 0.00 C ATOM 527 O SER A 34 -7.265 14.375 1.385 1.00 0.00 O ATOM 528 CB SER A 34 -8.749 13.609 -1.579 1.00 0.00 C ATOM 529 OG SER A 34 -9.867 14.037 -2.338 1.00 0.00 O ATOM 0 H SER A 34 -6.111 14.174 -0.861 1.00 0.00 H new ATOM 0 HA SER A 34 -8.643 15.695 -1.097 1.00 0.00 H new ATOM 0 HB2 SER A 34 -8.009 13.157 -2.239 1.00 0.00 H new ATOM 0 HB3 SER A 34 -9.058 12.839 -0.872 1.00 0.00 H new ATOM 0 HG SER A 34 -10.252 13.272 -2.814 1.00 0.00 H new ATOM 535 N PRO A 35 -9.495 14.618 1.207 1.00 0.00 N ATOM 536 CA PRO A 35 -9.752 14.440 2.638 1.00 0.00 C ATOM 537 C PRO A 35 -9.672 12.983 3.082 1.00 0.00 C ATOM 538 O PRO A 35 -9.825 12.679 4.265 1.00 0.00 O ATOM 539 CB PRO A 35 -11.174 14.971 2.801 1.00 0.00 C ATOM 540 CG PRO A 35 -11.821 14.710 1.485 1.00 0.00 C ATOM 541 CD PRO A 35 -10.738 14.856 0.447 1.00 0.00 C ATOM 0 HA PRO A 35 -9.009 14.953 3.249 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -11.698 14.461 3.609 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -11.176 16.034 3.041 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -12.255 13.711 1.456 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -12.632 15.415 1.303 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -10.858 14.135 -0.362 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -10.748 15.847 -0.006 1.00 0.00 H new ATOM 549 N SER A 36 -9.433 12.084 2.134 1.00 0.00 N ATOM 550 CA SER A 36 -9.334 10.665 2.444 1.00 0.00 C ATOM 551 C SER A 36 -8.561 9.925 1.360 1.00 0.00 C ATOM 552 O SER A 36 -8.848 8.766 1.061 1.00 0.00 O ATOM 553 CB SER A 36 -10.730 10.057 2.598 1.00 0.00 C ATOM 554 OG SER A 36 -11.178 10.140 3.940 1.00 0.00 O ATOM 0 H SER A 36 -9.305 12.313 1.148 1.00 0.00 H new ATOM 0 HA SER A 36 -8.794 10.560 3.385 1.00 0.00 H new ATOM 0 HB2 SER A 36 -11.431 10.577 1.945 1.00 0.00 H new ATOM 0 HB3 SER A 36 -10.713 9.014 2.281 1.00 0.00 H new ATOM 0 HG SER A 36 -10.845 10.968 4.345 1.00 0.00 H new ATOM 560 N ASP A 37 -7.577 10.601 0.773 1.00 0.00 N ATOM 561 CA ASP A 37 -6.767 9.996 -0.278 1.00 0.00 C ATOM 562 C ASP A 37 -5.437 9.492 0.278 1.00 0.00 C ATOM 563 O ASP A 37 -4.683 10.250 0.888 1.00 0.00 O ATOM 564 CB ASP A 37 -6.516 11.006 -1.401 1.00 0.00 C ATOM 565 CG ASP A 37 -7.142 10.577 -2.714 1.00 0.00 C ATOM 566 OD1 ASP A 37 -7.321 9.358 -2.916 1.00 0.00 O ATOM 567 OD2 ASP A 37 -7.451 11.461 -3.542 1.00 0.00 O ATOM 0 H ASP A 37 -7.323 11.561 1.006 1.00 0.00 H new ATOM 0 HA ASP A 37 -7.316 9.144 -0.680 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -6.918 11.976 -1.110 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -5.442 11.134 -1.538 1.00 0.00 H new ATOM 572 N PHE A 38 -5.156 8.211 0.048 1.00 0.00 N ATOM 573 CA PHE A 38 -3.918 7.589 0.513 1.00 0.00 C ATOM 574 C PHE A 38 -3.215 6.881 -0.646 1.00 0.00 C ATOM 575 O PHE A 38 -3.849 6.538 -1.640 1.00 0.00 O ATOM 576 CB PHE A 38 -4.219 6.605 1.650 1.00 0.00 C ATOM 577 CG PHE A 38 -5.029 7.208 2.771 1.00 0.00 C ATOM 578 CD1 PHE A 38 -4.913 8.552 3.086 1.00 0.00 C ATOM 579 CD2 PHE A 38 -5.905 6.430 3.508 1.00 0.00 C ATOM 580 CE1 PHE A 38 -5.653 9.110 4.111 1.00 0.00 C ATOM 581 CE2 PHE A 38 -6.649 6.983 4.536 1.00 0.00 C ATOM 582 CZ PHE A 38 -6.522 8.323 4.837 1.00 0.00 C ATOM 0 H PHE A 38 -5.774 7.580 -0.461 1.00 0.00 H new ATOM 0 HA PHE A 38 -3.252 8.363 0.895 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -4.757 5.748 1.245 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -3.278 6.230 2.053 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -4.234 9.173 2.522 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -6.009 5.380 3.278 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -5.551 10.160 4.343 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -7.329 6.365 5.103 1.00 0.00 H new ATOM 0 HZ PHE A 38 -7.102 8.755 5.639 1.00 0.00 H new ATOM 592 N SER A 39 -1.906 6.676 -0.528 1.00 0.00 N ATOM 593 CA SER A 39 -1.145 6.020 -1.592 1.00 0.00 C ATOM 594 C SER A 39 -0.264 4.912 -1.037 1.00 0.00 C ATOM 595 O SER A 39 0.356 5.088 0.008 1.00 0.00 O ATOM 596 CB SER A 39 -0.285 7.043 -2.336 1.00 0.00 C ATOM 597 OG SER A 39 0.222 6.505 -3.545 1.00 0.00 O ATOM 0 H SER A 39 -1.353 6.951 0.284 1.00 0.00 H new ATOM 0 HA SER A 39 -1.858 5.575 -2.286 1.00 0.00 H new ATOM 0 HB2 SER A 39 -0.878 7.932 -2.551 1.00 0.00 H new ATOM 0 HB3 SER A 39 0.542 7.358 -1.700 1.00 0.00 H new ATOM 0 HG SER A 39 0.766 7.181 -4.001 1.00 0.00 H new ATOM 603 N VAL A 40 -0.185 3.780 -1.736 1.00 0.00 N ATOM 604 CA VAL A 40 0.658 2.685 -1.266 1.00 0.00 C ATOM 605 C VAL A 40 1.297 1.896 -2.408 1.00 0.00 C ATOM 606 O VAL A 40 0.617 1.450 -3.333 1.00 0.00 O ATOM 607 CB VAL A 40 -0.112 1.730 -0.327 1.00 0.00 C ATOM 608 CG1 VAL A 40 -1.159 0.921 -1.071 1.00 0.00 C ATOM 609 CG2 VAL A 40 0.852 0.811 0.403 1.00 0.00 C ATOM 0 H VAL A 40 -0.682 3.600 -2.609 1.00 0.00 H new ATOM 0 HA VAL A 40 1.463 3.155 -0.701 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.637 2.345 0.404 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.675 0.264 -0.372 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.879 1.596 -1.534 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.675 0.322 -1.842 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.293 0.145 1.060 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.411 0.220 -0.322 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.545 1.408 0.996 1.00 0.00 H new ATOM 619 N SER A 41 2.621 1.731 -2.324 1.00 0.00 N ATOM 620 CA SER A 41 3.388 0.995 -3.336 1.00 0.00 C ATOM 621 C SER A 41 4.030 -0.265 -2.739 1.00 0.00 C ATOM 622 O SER A 41 4.555 -0.233 -1.623 1.00 0.00 O ATOM 623 CB SER A 41 4.467 1.896 -3.941 1.00 0.00 C ATOM 624 OG SER A 41 3.909 2.798 -4.881 1.00 0.00 O ATOM 0 H SER A 41 3.188 2.100 -1.560 1.00 0.00 H new ATOM 0 HA SER A 41 2.698 0.686 -4.121 1.00 0.00 H new ATOM 0 HB2 SER A 41 4.966 2.454 -3.149 1.00 0.00 H new ATOM 0 HB3 SER A 41 5.227 1.283 -4.426 1.00 0.00 H new ATOM 0 HG SER A 41 4.618 3.364 -5.252 1.00 0.00 H new ATOM 630 N LEU A 42 3.969 -1.376 -3.482 1.00 0.00 N ATOM 631 CA LEU A 42 4.529 -2.652 -3.018 1.00 0.00 C ATOM 632 C LEU A 42 5.561 -3.221 -3.986 1.00 0.00 C ATOM 633 O LEU A 42 5.580 -2.882 -5.170 1.00 0.00 O ATOM 634 CB LEU A 42 3.413 -3.681 -2.827 1.00 0.00 C ATOM 635 CG LEU A 42 3.829 -4.990 -2.153 1.00 0.00 C ATOM 636 CD1 LEU A 42 4.258 -4.731 -0.722 1.00 0.00 C ATOM 637 CD2 LEU A 42 2.689 -5.996 -2.186 1.00 0.00 C ATOM 0 H LEU A 42 3.538 -1.418 -4.406 1.00 0.00 H new ATOM 0 HA LEU A 42 5.027 -2.449 -2.070 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.620 -3.224 -2.235 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.988 -3.915 -3.803 1.00 0.00 H new ATOM 0 HG LEU A 42 4.673 -5.407 -2.703 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.551 -5.671 -0.254 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.103 -4.043 -0.714 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.428 -4.293 -0.167 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.005 -6.920 -1.702 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.827 -5.587 -1.659 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.417 -6.203 -3.221 1.00 0.00 H new ATOM 649 N LYS A 43 6.408 -4.107 -3.465 1.00 0.00 N ATOM 650 CA LYS A 43 7.442 -4.758 -4.262 1.00 0.00 C ATOM 651 C LYS A 43 6.916 -6.062 -4.868 1.00 0.00 C ATOM 652 O LYS A 43 6.178 -6.804 -4.220 1.00 0.00 O ATOM 653 CB LYS A 43 8.679 -5.033 -3.385 1.00 0.00 C ATOM 654 CG LYS A 43 9.132 -6.493 -3.353 1.00 0.00 C ATOM 655 CD LYS A 43 9.668 -6.957 -4.703 1.00 0.00 C ATOM 656 CE LYS A 43 11.028 -7.624 -4.573 1.00 0.00 C ATOM 657 NZ LYS A 43 11.662 -7.866 -5.899 1.00 0.00 N ATOM 0 H LYS A 43 6.396 -4.391 -2.485 1.00 0.00 H new ATOM 0 HA LYS A 43 7.726 -4.095 -5.079 1.00 0.00 H new ATOM 0 HB2 LYS A 43 9.505 -4.419 -3.744 1.00 0.00 H new ATOM 0 HB3 LYS A 43 8.463 -4.712 -2.366 1.00 0.00 H new ATOM 0 HG2 LYS A 43 9.905 -6.616 -2.595 1.00 0.00 H new ATOM 0 HG3 LYS A 43 8.294 -7.126 -3.059 1.00 0.00 H new ATOM 0 HD2 LYS A 43 8.963 -7.655 -5.153 1.00 0.00 H new ATOM 0 HD3 LYS A 43 9.745 -6.103 -5.376 1.00 0.00 H new ATOM 0 HE2 LYS A 43 11.683 -6.997 -3.968 1.00 0.00 H new ATOM 0 HE3 LYS A 43 10.918 -8.572 -4.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 12.159 -8.780 -5.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 10.929 -7.882 -6.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 12.342 -7.106 -6.103 1.00 0.00 H new ATOM 671 N ALA A 44 7.318 -6.341 -6.107 1.00 0.00 N ATOM 672 CA ALA A 44 6.907 -7.562 -6.793 1.00 0.00 C ATOM 673 C ALA A 44 8.101 -8.192 -7.499 1.00 0.00 C ATOM 674 O ALA A 44 9.229 -7.721 -7.356 1.00 0.00 O ATOM 675 CB ALA A 44 5.792 -7.274 -7.788 1.00 0.00 C ATOM 0 H ALA A 44 7.929 -5.736 -6.656 1.00 0.00 H new ATOM 0 HA ALA A 44 6.526 -8.264 -6.051 1.00 0.00 H new ATOM 0 HB1 ALA A 44 5.502 -8.199 -8.287 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.932 -6.861 -7.261 1.00 0.00 H new ATOM 0 HB3 ALA A 44 6.142 -6.556 -8.529 1.00 0.00 H new ATOM 681 N SER A 45 7.855 -9.250 -8.265 1.00 0.00 N ATOM 682 CA SER A 45 8.927 -9.920 -8.992 1.00 0.00 C ATOM 683 C SER A 45 9.540 -8.970 -10.016 1.00 0.00 C ATOM 684 O SER A 45 9.204 -9.010 -11.199 1.00 0.00 O ATOM 685 CB SER A 45 8.395 -11.173 -9.689 1.00 0.00 C ATOM 686 OG SER A 45 9.352 -12.218 -9.662 1.00 0.00 O ATOM 0 H SER A 45 6.930 -9.659 -8.398 1.00 0.00 H new ATOM 0 HA SER A 45 9.698 -10.217 -8.281 1.00 0.00 H new ATOM 0 HB2 SER A 45 7.478 -11.503 -9.200 1.00 0.00 H new ATOM 0 HB3 SER A 45 8.139 -10.937 -10.722 1.00 0.00 H new ATOM 0 HG SER A 45 8.987 -13.008 -10.112 1.00 0.00 H new ATOM 692 N GLY A 46 10.432 -8.104 -9.543 1.00 0.00 N ATOM 693 CA GLY A 46 11.076 -7.137 -10.414 1.00 0.00 C ATOM 694 C GLY A 46 10.157 -6.000 -10.825 1.00 0.00 C ATOM 695 O GLY A 46 10.611 -4.988 -11.357 1.00 0.00 O ATOM 0 H GLY A 46 10.721 -8.055 -8.566 1.00 0.00 H new ATOM 0 HA2 GLY A 46 11.949 -6.725 -9.907 1.00 0.00 H new ATOM 0 HA3 GLY A 46 11.437 -7.646 -11.308 1.00 0.00 H new ATOM 699 N LYS A 47 8.865 -6.170 -10.579 1.00 0.00 N ATOM 700 CA LYS A 47 7.873 -5.170 -10.918 1.00 0.00 C ATOM 701 C LYS A 47 7.319 -4.515 -9.655 1.00 0.00 C ATOM 702 O LYS A 47 7.492 -5.034 -8.552 1.00 0.00 O ATOM 703 CB LYS A 47 6.743 -5.825 -11.709 1.00 0.00 C ATOM 704 CG LYS A 47 6.859 -5.676 -13.223 1.00 0.00 C ATOM 705 CD LYS A 47 7.128 -4.239 -13.652 1.00 0.00 C ATOM 706 CE LYS A 47 6.056 -3.284 -13.148 1.00 0.00 C ATOM 707 NZ LYS A 47 5.275 -2.688 -14.267 1.00 0.00 N ATOM 0 H LYS A 47 8.480 -7.006 -10.139 1.00 0.00 H new ATOM 0 HA LYS A 47 8.342 -4.397 -11.527 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.712 -6.886 -11.463 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.795 -5.395 -11.386 1.00 0.00 H new ATOM 0 HG2 LYS A 47 7.663 -6.316 -13.587 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.938 -6.024 -13.690 1.00 0.00 H new ATOM 0 HD2 LYS A 47 8.101 -3.924 -13.275 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.176 -4.188 -14.740 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.382 -3.816 -12.477 1.00 0.00 H new ATOM 0 HE3 LYS A 47 6.522 -2.489 -12.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.555 -2.043 -13.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.915 -2.159 -14.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.809 -3.445 -14.807 1.00 0.00 H new ATOM 721 N ASN A 48 6.647 -3.381 -9.819 1.00 0.00 N ATOM 722 CA ASN A 48 6.062 -2.671 -8.686 1.00 0.00 C ATOM 723 C ASN A 48 4.566 -2.458 -8.897 1.00 0.00 C ATOM 724 O ASN A 48 4.094 -2.368 -10.031 1.00 0.00 O ATOM 725 CB ASN A 48 6.763 -1.327 -8.475 1.00 0.00 C ATOM 726 CG ASN A 48 6.099 -0.480 -7.405 1.00 0.00 C ATOM 727 OD1 ASN A 48 6.409 -0.601 -6.220 1.00 0.00 O ATOM 728 ND2 ASN A 48 5.179 0.383 -7.820 1.00 0.00 N ATOM 0 H ASN A 48 6.494 -2.934 -10.723 1.00 0.00 H new ATOM 0 HA ASN A 48 6.202 -3.281 -7.794 1.00 0.00 H new ATOM 0 HB2 ASN A 48 7.803 -1.504 -8.199 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.772 -0.775 -9.415 1.00 0.00 H new ATOM 0 HD21 ASN A 48 4.698 0.979 -7.146 1.00 0.00 H new ATOM 0 HD22 ASN A 48 4.953 0.450 -8.812 1.00 0.00 H new ATOM 735 N LYS A 49 3.828 -2.376 -7.797 1.00 0.00 N ATOM 736 CA LYS A 49 2.385 -2.170 -7.858 1.00 0.00 C ATOM 737 C LYS A 49 1.959 -0.982 -7.001 1.00 0.00 C ATOM 738 O LYS A 49 1.975 -1.052 -5.772 1.00 0.00 O ATOM 739 CB LYS A 49 1.645 -3.422 -7.415 1.00 0.00 C ATOM 740 CG LYS A 49 1.806 -3.747 -5.946 1.00 0.00 C ATOM 741 CD LYS A 49 1.826 -5.244 -5.746 1.00 0.00 C ATOM 742 CE LYS A 49 3.239 -5.772 -5.545 1.00 0.00 C ATOM 743 NZ LYS A 49 4.236 -5.022 -6.356 1.00 0.00 N ATOM 0 H LYS A 49 4.204 -2.449 -6.852 1.00 0.00 H new ATOM 0 HA LYS A 49 2.127 -1.955 -8.895 1.00 0.00 H new ATOM 0 HB2 LYS A 49 0.584 -3.301 -7.635 1.00 0.00 H new ATOM 0 HB3 LYS A 49 1.999 -4.268 -8.004 1.00 0.00 H new ATOM 0 HG2 LYS A 49 2.730 -3.309 -5.568 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.988 -3.307 -5.376 1.00 0.00 H new ATOM 0 HD2 LYS A 49 1.216 -5.503 -4.881 1.00 0.00 H new ATOM 0 HD3 LYS A 49 1.376 -5.732 -6.611 1.00 0.00 H new ATOM 0 HE2 LYS A 49 3.505 -5.703 -4.490 1.00 0.00 H new ATOM 0 HE3 LYS A 49 3.273 -6.828 -5.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 5.116 -5.573 -6.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 3.856 -4.861 -7.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 4.434 -4.107 -5.903 1.00 0.00 H new ATOM 757 N HIS A 50 1.578 0.110 -7.653 1.00 0.00 N ATOM 758 CA HIS A 50 1.147 1.309 -6.943 1.00 0.00 C ATOM 759 C HIS A 50 -0.328 1.587 -7.191 1.00 0.00 C ATOM 760 O HIS A 50 -0.832 1.386 -8.296 1.00 0.00 O ATOM 761 CB HIS A 50 1.981 2.514 -7.374 1.00 0.00 C ATOM 762 CG HIS A 50 2.207 2.591 -8.852 1.00 0.00 C ATOM 763 ND1 HIS A 50 1.288 2.144 -9.778 1.00 0.00 N ATOM 764 CD2 HIS A 50 3.257 3.064 -9.565 1.00 0.00 C ATOM 765 CE1 HIS A 50 1.763 2.337 -10.995 1.00 0.00 C ATOM 766 NE2 HIS A 50 2.955 2.895 -10.893 1.00 0.00 N ATOM 0 H HIS A 50 1.559 0.190 -8.670 1.00 0.00 H new ATOM 0 HA HIS A 50 1.294 1.138 -5.877 1.00 0.00 H new ATOM 0 HB2 HIS A 50 1.484 3.426 -7.043 1.00 0.00 H new ATOM 0 HB3 HIS A 50 2.946 2.476 -6.869 1.00 0.00 H new ATOM 0 HD1 HIS A 50 0.383 1.729 -9.557 1.00 0.00 H new ATOM 0 HD2 HIS A 50 4.163 3.494 -9.163 1.00 0.00 H new ATOM 0 HE1 HIS A 50 1.262 2.082 -11.917 1.00 0.00 H new ATOM 775 N PHE A 51 -1.016 2.052 -6.156 1.00 0.00 N ATOM 776 CA PHE A 51 -2.436 2.358 -6.269 1.00 0.00 C ATOM 777 C PHE A 51 -2.832 3.507 -5.350 1.00 0.00 C ATOM 778 O PHE A 51 -2.164 3.785 -4.348 1.00 0.00 O ATOM 779 CB PHE A 51 -3.299 1.130 -5.946 1.00 0.00 C ATOM 780 CG PHE A 51 -2.579 -0.185 -6.046 1.00 0.00 C ATOM 781 CD1 PHE A 51 -1.578 -0.513 -5.147 1.00 0.00 C ATOM 782 CD2 PHE A 51 -2.914 -1.098 -7.033 1.00 0.00 C ATOM 783 CE1 PHE A 51 -0.925 -1.727 -5.231 1.00 0.00 C ATOM 784 CE2 PHE A 51 -2.263 -2.312 -7.123 1.00 0.00 C ATOM 785 CZ PHE A 51 -1.267 -2.627 -6.220 1.00 0.00 C ATOM 0 H PHE A 51 -0.616 2.225 -5.234 1.00 0.00 H new ATOM 0 HA PHE A 51 -2.613 2.655 -7.303 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -3.695 1.236 -4.936 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -4.153 1.114 -6.623 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -1.305 0.188 -4.372 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -3.694 -0.857 -7.740 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -0.147 -1.972 -4.523 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -2.532 -3.014 -7.898 1.00 0.00 H new ATOM 0 HZ PHE A 51 -0.756 -3.576 -6.287 1.00 0.00 H new ATOM 795 N LYS A 52 -3.938 4.158 -5.700 1.00 0.00 N ATOM 796 CA LYS A 52 -4.464 5.271 -4.923 1.00 0.00 C ATOM 797 C LYS A 52 -5.727 4.847 -4.184 1.00 0.00 C ATOM 798 O LYS A 52 -6.579 4.152 -4.738 1.00 0.00 O ATOM 799 CB LYS A 52 -4.773 6.462 -5.829 1.00 0.00 C ATOM 800 CG LYS A 52 -4.867 7.784 -5.085 1.00 0.00 C ATOM 801 CD LYS A 52 -5.739 8.785 -5.828 1.00 0.00 C ATOM 802 CE LYS A 52 -5.221 9.048 -7.235 1.00 0.00 C ATOM 803 NZ LYS A 52 -6.315 9.009 -8.245 1.00 0.00 N ATOM 0 H LYS A 52 -4.491 3.929 -6.526 1.00 0.00 H new ATOM 0 HA LYS A 52 -3.707 5.569 -4.198 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.998 6.538 -6.592 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -5.714 6.279 -6.348 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -5.276 7.613 -4.089 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -3.868 8.199 -4.952 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -6.761 8.409 -5.881 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -5.773 9.722 -5.272 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -4.733 10.022 -7.266 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -4.466 8.304 -7.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -5.922 9.193 -9.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -6.765 8.071 -8.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -7.023 9.736 -8.018 1.00 0.00 H new ATOM 817 N VAL A 53 -5.838 5.263 -2.931 1.00 0.00 N ATOM 818 CA VAL A 53 -6.995 4.921 -2.115 1.00 0.00 C ATOM 819 C VAL A 53 -7.802 6.169 -1.761 1.00 0.00 C ATOM 820 O VAL A 53 -7.362 7.002 -0.972 1.00 0.00 O ATOM 821 CB VAL A 53 -6.554 4.199 -0.823 1.00 0.00 C ATOM 822 CG1 VAL A 53 -7.751 3.665 -0.052 1.00 0.00 C ATOM 823 CG2 VAL A 53 -5.589 3.072 -1.154 1.00 0.00 C ATOM 0 H VAL A 53 -5.141 5.838 -2.457 1.00 0.00 H new ATOM 0 HA VAL A 53 -7.628 4.251 -2.698 1.00 0.00 H new ATOM 0 HB VAL A 53 -6.046 4.924 -0.188 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -7.407 3.162 0.852 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -8.407 4.492 0.220 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -8.298 2.957 -0.675 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -5.286 2.571 -0.235 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.079 2.355 -1.813 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -4.710 3.480 -1.652 1.00 0.00 H new ATOM 833 N GLN A 54 -8.985 6.287 -2.358 1.00 0.00 N ATOM 834 CA GLN A 54 -9.863 7.431 -2.121 1.00 0.00 C ATOM 835 C GLN A 54 -11.233 6.981 -1.642 1.00 0.00 C ATOM 836 O GLN A 54 -11.737 5.936 -2.051 1.00 0.00 O ATOM 837 CB GLN A 54 -10.004 8.262 -3.398 1.00 0.00 C ATOM 838 CG GLN A 54 -10.478 9.684 -3.150 1.00 0.00 C ATOM 839 CD GLN A 54 -10.733 10.447 -4.435 1.00 0.00 C ATOM 840 OE1 GLN A 54 -11.875 10.576 -4.878 1.00 0.00 O ATOM 841 NE2 GLN A 54 -9.668 10.956 -5.042 1.00 0.00 N ATOM 0 H GLN A 54 -9.360 5.601 -3.013 1.00 0.00 H new ATOM 0 HA GLN A 54 -9.413 8.045 -1.341 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -9.042 8.293 -3.909 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -10.706 7.766 -4.069 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -11.393 9.660 -2.559 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -9.731 10.214 -2.559 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -8.740 10.825 -4.639 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -9.777 11.478 -5.911 1.00 0.00 H new ATOM 850 N LEU A 55 -11.831 7.779 -0.770 1.00 0.00 N ATOM 851 CA LEU A 55 -13.143 7.473 -0.230 1.00 0.00 C ATOM 852 C LEU A 55 -14.237 7.974 -1.180 1.00 0.00 C ATOM 853 O LEU A 55 -14.377 9.172 -1.416 1.00 0.00 O ATOM 854 CB LEU A 55 -13.259 8.073 1.186 1.00 0.00 C ATOM 855 CG LEU A 55 -14.570 8.778 1.551 1.00 0.00 C ATOM 856 CD1 LEU A 55 -14.633 10.146 0.894 1.00 0.00 C ATOM 857 CD2 LEU A 55 -15.777 7.925 1.175 1.00 0.00 C ATOM 0 H LEU A 55 -11.424 8.647 -0.421 1.00 0.00 H new ATOM 0 HA LEU A 55 -13.277 6.395 -0.144 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -13.097 7.270 1.906 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -12.446 8.787 1.316 1.00 0.00 H new ATOM 0 HG LEU A 55 -14.596 8.918 2.632 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -15.569 10.635 1.162 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -13.795 10.753 1.237 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -14.580 10.032 -0.189 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -16.693 8.451 1.446 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -15.770 7.738 0.101 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -15.732 6.976 1.709 1.00 0.00 H new ATOM 869 N VAL A 56 -14.995 7.035 -1.737 1.00 0.00 N ATOM 870 CA VAL A 56 -16.070 7.358 -2.667 1.00 0.00 C ATOM 871 C VAL A 56 -17.442 7.065 -2.057 1.00 0.00 C ATOM 872 O VAL A 56 -17.634 6.036 -1.422 1.00 0.00 O ATOM 873 CB VAL A 56 -15.917 6.577 -3.989 1.00 0.00 C ATOM 874 CG1 VAL A 56 -17.047 5.578 -4.158 1.00 0.00 C ATOM 875 CG2 VAL A 56 -15.863 7.534 -5.170 1.00 0.00 C ATOM 0 H VAL A 56 -14.883 6.037 -1.558 1.00 0.00 H new ATOM 0 HA VAL A 56 -16.000 8.425 -2.876 1.00 0.00 H new ATOM 0 HB VAL A 56 -14.979 6.023 -3.953 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -16.919 5.039 -5.097 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -17.034 4.871 -3.329 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -18.001 6.106 -4.170 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -15.755 6.966 -6.094 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -16.783 8.117 -5.208 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -15.012 8.206 -5.055 1.00 0.00 H new ATOM 885 N ASP A 57 -18.393 7.963 -2.291 1.00 0.00 N ATOM 886 CA ASP A 57 -19.769 7.815 -1.796 1.00 0.00 C ATOM 887 C ASP A 57 -19.840 7.082 -0.451 1.00 0.00 C ATOM 888 O ASP A 57 -20.594 6.121 -0.297 1.00 0.00 O ATOM 889 CB ASP A 57 -20.625 7.082 -2.834 1.00 0.00 C ATOM 890 CG ASP A 57 -20.097 5.697 -3.156 1.00 0.00 C ATOM 891 OD1 ASP A 57 -19.716 4.970 -2.216 1.00 0.00 O ATOM 892 OD2 ASP A 57 -20.067 5.338 -4.352 1.00 0.00 O ATOM 0 H ASP A 57 -18.238 8.816 -2.828 1.00 0.00 H new ATOM 0 HA ASP A 57 -20.158 8.820 -1.635 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -21.647 7.000 -2.463 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -20.664 7.673 -3.749 1.00 0.00 H new ATOM 897 N ASN A 58 -19.061 7.543 0.523 1.00 0.00 N ATOM 898 CA ASN A 58 -19.053 6.926 1.850 1.00 0.00 C ATOM 899 C ASN A 58 -18.487 5.510 1.787 1.00 0.00 C ATOM 900 O ASN A 58 -18.874 4.636 2.562 1.00 0.00 O ATOM 901 CB ASN A 58 -20.466 6.898 2.436 1.00 0.00 C ATOM 902 CG ASN A 58 -20.463 6.874 3.951 1.00 0.00 C ATOM 903 OD1 ASN A 58 -20.359 7.915 4.599 1.00 0.00 O ATOM 904 ND2 ASN A 58 -20.578 5.682 4.524 1.00 0.00 N ATOM 0 H ASN A 58 -18.429 8.337 0.422 1.00 0.00 H new ATOM 0 HA ASN A 58 -18.414 7.527 2.497 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -21.017 7.773 2.090 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -20.994 6.021 2.063 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -20.583 5.603 5.541 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -20.662 4.845 3.947 1.00 0.00 H new ATOM 911 N VAL A 59 -17.569 5.297 0.855 1.00 0.00 N ATOM 912 CA VAL A 59 -16.935 3.999 0.669 1.00 0.00 C ATOM 913 C VAL A 59 -15.449 4.178 0.386 1.00 0.00 C ATOM 914 O VAL A 59 -15.037 5.178 -0.189 1.00 0.00 O ATOM 915 CB VAL A 59 -17.601 3.205 -0.483 1.00 0.00 C ATOM 916 CG1 VAL A 59 -16.573 2.426 -1.292 1.00 0.00 C ATOM 917 CG2 VAL A 59 -18.669 2.270 0.065 1.00 0.00 C ATOM 0 H VAL A 59 -17.243 6.016 0.209 1.00 0.00 H new ATOM 0 HA VAL A 59 -17.062 3.429 1.589 1.00 0.00 H new ATOM 0 HB VAL A 59 -18.073 3.924 -1.153 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -17.076 1.881 -2.091 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -15.850 3.118 -1.724 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -16.057 1.720 -0.641 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -19.127 1.720 -0.757 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -18.214 1.567 0.763 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -19.432 2.852 0.582 1.00 0.00 H new ATOM 927 N TYR A 60 -14.647 3.208 0.792 1.00 0.00 N ATOM 928 CA TYR A 60 -13.210 3.280 0.575 1.00 0.00 C ATOM 929 C TYR A 60 -12.809 2.538 -0.699 1.00 0.00 C ATOM 930 O TYR A 60 -13.113 1.359 -0.867 1.00 0.00 O ATOM 931 CB TYR A 60 -12.472 2.710 1.782 1.00 0.00 C ATOM 932 CG TYR A 60 -12.736 3.466 3.066 1.00 0.00 C ATOM 933 CD1 TYR A 60 -12.669 4.853 3.104 1.00 0.00 C ATOM 934 CD2 TYR A 60 -13.050 2.792 4.239 1.00 0.00 C ATOM 935 CE1 TYR A 60 -12.909 5.547 4.275 1.00 0.00 C ATOM 936 CE2 TYR A 60 -13.290 3.479 5.414 1.00 0.00 C ATOM 937 CZ TYR A 60 -13.218 4.856 5.427 1.00 0.00 C ATOM 938 OH TYR A 60 -13.456 5.544 6.596 1.00 0.00 O ATOM 0 H TYR A 60 -14.963 2.365 1.271 1.00 0.00 H new ATOM 0 HA TYR A 60 -12.932 4.327 0.452 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -12.764 1.668 1.917 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -11.401 2.718 1.579 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -12.425 5.398 2.204 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -13.108 1.714 4.233 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -12.855 6.626 4.287 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -13.533 2.940 6.318 1.00 0.00 H new ATOM 0 HH TYR A 60 -13.661 4.909 7.314 1.00 0.00 H new ATOM 948 N CYS A 61 -12.131 3.244 -1.600 1.00 0.00 N ATOM 949 CA CYS A 61 -11.696 2.661 -2.866 1.00 0.00 C ATOM 950 C CYS A 61 -10.191 2.403 -2.861 1.00 0.00 C ATOM 951 O CYS A 61 -9.406 3.295 -2.555 1.00 0.00 O ATOM 952 CB CYS A 61 -12.069 3.597 -4.024 1.00 0.00 C ATOM 953 SG CYS A 61 -11.345 3.153 -5.624 1.00 0.00 S ATOM 0 H CYS A 61 -11.871 4.222 -1.476 1.00 0.00 H new ATOM 0 HA CYS A 61 -12.202 1.705 -2.998 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -13.154 3.613 -4.124 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -11.757 4.610 -3.769 1.00 0.00 H new ATOM 0 HG CYS A 61 -11.423 1.867 -5.794 1.00 0.00 H new ATOM 959 N ILE A 62 -9.800 1.181 -3.216 1.00 0.00 N ATOM 960 CA ILE A 62 -8.384 0.811 -3.268 1.00 0.00 C ATOM 961 C ILE A 62 -7.964 0.526 -4.707 1.00 0.00 C ATOM 962 O ILE A 62 -8.393 -0.462 -5.304 1.00 0.00 O ATOM 963 CB ILE A 62 -8.071 -0.435 -2.403 1.00 0.00 C ATOM 964 CG1 ILE A 62 -8.978 -0.479 -1.169 1.00 0.00 C ATOM 965 CG2 ILE A 62 -6.599 -0.453 -1.989 1.00 0.00 C ATOM 966 CD1 ILE A 62 -8.730 0.650 -0.195 1.00 0.00 C ATOM 0 H ILE A 62 -10.441 0.430 -3.472 1.00 0.00 H new ATOM 0 HA ILE A 62 -7.824 1.656 -2.869 1.00 0.00 H new ATOM 0 HB ILE A 62 -8.267 -1.323 -3.004 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -10.019 -0.447 -1.492 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -8.833 -1.429 -0.655 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -6.402 -1.337 -1.382 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -5.971 -0.477 -2.879 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -6.373 0.442 -1.410 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -9.408 0.554 0.653 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -7.699 0.607 0.157 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -8.904 1.604 -0.692 1.00 0.00 H new ATOM 978 N GLY A 63 -7.129 1.398 -5.262 1.00 0.00 N ATOM 979 CA GLY A 63 -6.674 1.221 -6.629 1.00 0.00 C ATOM 980 C GLY A 63 -7.785 1.437 -7.640 1.00 0.00 C ATOM 981 O GLY A 63 -8.112 2.574 -7.978 1.00 0.00 O ATOM 0 H GLY A 63 -6.759 2.223 -4.790 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -5.861 1.918 -6.832 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -6.269 0.216 -6.747 1.00 0.00 H new ATOM 985 N GLN A 64 -8.368 0.343 -8.120 1.00 0.00 N ATOM 986 CA GLN A 64 -9.451 0.417 -9.096 1.00 0.00 C ATOM 987 C GLN A 64 -10.629 -0.451 -8.661 1.00 0.00 C ATOM 988 O GLN A 64 -11.197 -1.196 -9.460 1.00 0.00 O ATOM 989 CB GLN A 64 -8.955 -0.021 -10.476 1.00 0.00 C ATOM 990 CG GLN A 64 -8.533 -1.480 -10.536 1.00 0.00 C ATOM 991 CD GLN A 64 -7.033 -1.649 -10.682 1.00 0.00 C ATOM 992 OE1 GLN A 64 -6.272 -0.693 -10.533 1.00 0.00 O ATOM 993 NE2 GLN A 64 -6.601 -2.870 -10.976 1.00 0.00 N ATOM 0 H GLN A 64 -8.109 -0.606 -7.849 1.00 0.00 H new ATOM 0 HA GLN A 64 -9.787 1.452 -9.155 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -9.744 0.151 -11.208 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -8.111 0.605 -10.765 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -8.865 -1.988 -9.631 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -9.033 -1.964 -11.375 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -7.268 -3.633 -11.091 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -5.602 -3.045 -11.087 1.00 0.00 H new ATOM 1002 N ARG A 65 -10.986 -0.348 -7.385 1.00 0.00 N ATOM 1003 CA ARG A 65 -12.092 -1.120 -6.826 1.00 0.00 C ATOM 1004 C ARG A 65 -12.622 -0.450 -5.563 1.00 0.00 C ATOM 1005 O ARG A 65 -11.985 0.449 -5.016 1.00 0.00 O ATOM 1006 CB ARG A 65 -11.640 -2.549 -6.514 1.00 0.00 C ATOM 1007 CG ARG A 65 -12.032 -3.558 -7.581 1.00 0.00 C ATOM 1008 CD ARG A 65 -11.373 -4.906 -7.342 1.00 0.00 C ATOM 1009 NE ARG A 65 -9.928 -4.785 -7.158 1.00 0.00 N ATOM 1010 CZ ARG A 65 -9.157 -5.760 -6.683 1.00 0.00 C ATOM 1011 NH1 ARG A 65 -9.686 -6.930 -6.346 1.00 0.00 N ATOM 1012 NH2 ARG A 65 -7.852 -5.565 -6.546 1.00 0.00 N ATOM 0 H ARG A 65 -10.523 0.266 -6.715 1.00 0.00 H new ATOM 0 HA ARG A 65 -12.893 -1.159 -7.564 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -10.557 -2.561 -6.395 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -12.068 -2.857 -5.560 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -13.115 -3.678 -7.589 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -11.746 -3.181 -8.563 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -11.813 -5.373 -6.461 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -11.577 -5.564 -8.187 1.00 0.00 H new ATOM 0 HE ARG A 65 -9.485 -3.901 -7.408 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -10.689 -7.085 -6.451 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -9.090 -7.674 -5.982 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -7.440 -4.668 -6.805 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -7.260 -6.312 -6.182 1.00 0.00 H new ATOM 1026 N ARG A 66 -13.790 -0.882 -5.102 1.00 0.00 N ATOM 1027 CA ARG A 66 -14.390 -0.306 -3.912 1.00 0.00 C ATOM 1028 C ARG A 66 -14.500 -1.341 -2.802 1.00 0.00 C ATOM 1029 O ARG A 66 -15.010 -2.443 -3.001 1.00 0.00 O ATOM 1030 CB ARG A 66 -15.762 0.260 -4.247 1.00 0.00 C ATOM 1031 CG ARG A 66 -15.776 1.122 -5.503 1.00 0.00 C ATOM 1032 CD ARG A 66 -14.685 2.187 -5.475 1.00 0.00 C ATOM 1033 NE ARG A 66 -14.325 2.638 -6.817 1.00 0.00 N ATOM 1034 CZ ARG A 66 -15.128 3.354 -7.601 1.00 0.00 C ATOM 1035 NH1 ARG A 66 -16.338 3.705 -7.182 1.00 0.00 N ATOM 1036 NH2 ARG A 66 -14.719 3.723 -8.807 1.00 0.00 N ATOM 0 H ARG A 66 -14.336 -1.627 -5.535 1.00 0.00 H new ATOM 0 HA ARG A 66 -13.748 0.500 -3.557 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -16.465 -0.564 -4.374 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -16.116 0.854 -3.405 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -15.642 0.488 -6.380 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -16.749 1.602 -5.603 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -15.025 3.039 -4.886 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -13.801 1.787 -4.978 1.00 0.00 H new ATOM 0 HE ARG A 66 -13.403 2.389 -7.175 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -16.657 3.426 -6.254 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -16.948 4.254 -7.788 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -13.790 3.458 -9.134 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -15.334 4.272 -9.408 1.00 0.00 H new ATOM 1050 N PHE A 67 -13.986 -0.972 -1.637 1.00 0.00 N ATOM 1051 CA PHE A 67 -13.981 -1.848 -0.473 1.00 0.00 C ATOM 1052 C PHE A 67 -14.378 -1.086 0.785 1.00 0.00 C ATOM 1053 O PHE A 67 -14.296 0.140 0.830 1.00 0.00 O ATOM 1054 CB PHE A 67 -12.597 -2.469 -0.293 1.00 0.00 C ATOM 1055 CG PHE A 67 -12.226 -3.422 -1.391 1.00 0.00 C ATOM 1056 CD1 PHE A 67 -13.100 -4.424 -1.781 1.00 0.00 C ATOM 1057 CD2 PHE A 67 -11.002 -3.318 -2.033 1.00 0.00 C ATOM 1058 CE1 PHE A 67 -12.761 -5.304 -2.790 1.00 0.00 C ATOM 1059 CE2 PHE A 67 -10.658 -4.195 -3.043 1.00 0.00 C ATOM 1060 CZ PHE A 67 -11.538 -5.190 -3.422 1.00 0.00 C ATOM 0 H PHE A 67 -13.562 -0.059 -1.472 1.00 0.00 H new ATOM 0 HA PHE A 67 -14.712 -2.639 -0.638 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -11.853 -1.674 -0.245 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -12.564 -2.995 0.661 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -14.057 -4.518 -1.290 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -10.310 -2.543 -1.740 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -13.451 -6.081 -3.085 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -9.702 -4.103 -3.536 1.00 0.00 H new ATOM 0 HZ PHE A 67 -11.270 -5.877 -4.211 1.00 0.00 H new ATOM 1070 N HIS A 68 -14.798 -1.814 1.814 1.00 0.00 N ATOM 1071 CA HIS A 68 -15.187 -1.188 3.071 1.00 0.00 C ATOM 1072 C HIS A 68 -13.953 -0.898 3.921 1.00 0.00 C ATOM 1073 O HIS A 68 -14.017 -0.908 5.151 1.00 0.00 O ATOM 1074 CB HIS A 68 -16.156 -2.088 3.840 1.00 0.00 C ATOM 1075 CG HIS A 68 -17.086 -1.333 4.740 1.00 0.00 C ATOM 1076 ND1 HIS A 68 -18.110 -0.539 4.268 1.00 0.00 N ATOM 1077 CD2 HIS A 68 -17.144 -1.254 6.091 1.00 0.00 C ATOM 1078 CE1 HIS A 68 -18.757 -0.005 5.289 1.00 0.00 C ATOM 1079 NE2 HIS A 68 -18.191 -0.423 6.406 1.00 0.00 N ATOM 0 H HIS A 68 -14.877 -2.831 1.803 1.00 0.00 H new ATOM 0 HA HIS A 68 -15.689 -0.247 2.847 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -16.743 -2.668 3.128 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -15.584 -2.799 4.436 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -16.489 -1.752 6.790 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -19.605 0.660 5.221 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -18.484 -0.170 7.350 1.00 0.00 H new ATOM 1088 N THR A 69 -12.828 -0.643 3.254 1.00 0.00 N ATOM 1089 CA THR A 69 -11.579 -0.354 3.938 1.00 0.00 C ATOM 1090 C THR A 69 -10.723 0.604 3.107 1.00 0.00 C ATOM 1091 O THR A 69 -10.858 0.665 1.886 1.00 0.00 O ATOM 1092 CB THR A 69 -10.834 -1.666 4.189 1.00 0.00 C ATOM 1093 OG1 THR A 69 -9.847 -1.503 5.190 1.00 0.00 O ATOM 1094 CG2 THR A 69 -10.155 -2.222 2.954 1.00 0.00 C ATOM 0 H THR A 69 -12.761 -0.632 2.236 1.00 0.00 H new ATOM 0 HA THR A 69 -11.789 0.129 4.892 1.00 0.00 H new ATOM 0 HB THR A 69 -11.601 -2.372 4.506 1.00 0.00 H new ATOM 0 HG1 THR A 69 -9.943 -2.210 5.862 1.00 0.00 H new ATOM 0 HG21 THR A 69 -9.647 -3.153 3.206 1.00 0.00 H new ATOM 0 HG22 THR A 69 -10.902 -2.414 2.183 1.00 0.00 H new ATOM 0 HG23 THR A 69 -9.427 -1.500 2.583 1.00 0.00 H new ATOM 1102 N MET A 70 -9.841 1.345 3.773 1.00 0.00 N ATOM 1103 CA MET A 70 -8.975 2.304 3.090 1.00 0.00 C ATOM 1104 C MET A 70 -7.528 2.168 3.557 1.00 0.00 C ATOM 1105 O MET A 70 -6.705 1.556 2.881 1.00 0.00 O ATOM 1106 CB MET A 70 -9.488 3.728 3.338 1.00 0.00 C ATOM 1107 CG MET A 70 -8.461 4.818 3.074 1.00 0.00 C ATOM 1108 SD MET A 70 -9.217 6.431 2.797 1.00 0.00 S ATOM 1109 CE MET A 70 -10.010 6.167 1.213 1.00 0.00 C ATOM 0 H MET A 70 -9.707 1.300 4.783 1.00 0.00 H new ATOM 0 HA MET A 70 -8.999 2.094 2.021 1.00 0.00 H new ATOM 0 HB2 MET A 70 -10.358 3.904 2.705 1.00 0.00 H new ATOM 0 HB3 MET A 70 -9.825 3.805 4.372 1.00 0.00 H new ATOM 0 HG2 MET A 70 -7.778 4.882 3.921 1.00 0.00 H new ATOM 0 HG3 MET A 70 -7.864 4.546 2.203 1.00 0.00 H new ATOM 0 HE1 MET A 70 -10.987 6.649 1.211 1.00 0.00 H new ATOM 0 HE2 MET A 70 -9.393 6.593 0.422 1.00 0.00 H new ATOM 0 HE3 MET A 70 -10.133 5.098 1.041 1.00 0.00 H new ATOM 1119 N ASP A 71 -7.229 2.741 4.718 1.00 0.00 N ATOM 1120 CA ASP A 71 -5.885 2.678 5.284 1.00 0.00 C ATOM 1121 C ASP A 71 -5.852 1.733 6.478 1.00 0.00 C ATOM 1122 O ASP A 71 -4.785 1.417 7.005 1.00 0.00 O ATOM 1123 CB ASP A 71 -5.421 4.068 5.716 1.00 0.00 C ATOM 1124 CG ASP A 71 -4.041 4.411 5.190 1.00 0.00 C ATOM 1125 OD1 ASP A 71 -3.906 4.621 3.967 1.00 0.00 O ATOM 1126 OD2 ASP A 71 -3.094 4.471 6.003 1.00 0.00 O ATOM 0 H ASP A 71 -7.901 3.256 5.287 1.00 0.00 H new ATOM 0 HA ASP A 71 -5.211 2.301 4.515 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -6.136 4.812 5.363 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -5.415 4.123 6.805 1.00 0.00 H new ATOM 1131 N GLU A 72 -7.028 1.276 6.893 1.00 0.00 N ATOM 1132 CA GLU A 72 -7.134 0.358 8.015 1.00 0.00 C ATOM 1133 C GLU A 72 -6.811 -1.057 7.559 1.00 0.00 C ATOM 1134 O GLU A 72 -6.512 -1.933 8.371 1.00 0.00 O ATOM 1135 CB GLU A 72 -8.542 0.407 8.613 1.00 0.00 C ATOM 1136 CG GLU A 72 -8.695 1.421 9.734 1.00 0.00 C ATOM 1137 CD GLU A 72 -10.133 1.858 9.935 1.00 0.00 C ATOM 1138 OE1 GLU A 72 -10.933 1.048 10.449 1.00 0.00 O ATOM 1139 OE2 GLU A 72 -10.459 3.009 9.578 1.00 0.00 O ATOM 0 H GLU A 72 -7.920 1.528 6.468 1.00 0.00 H new ATOM 0 HA GLU A 72 -6.419 0.658 8.782 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -9.255 0.642 7.823 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -8.801 -0.582 8.992 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -8.317 0.991 10.662 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -8.081 2.295 9.515 1.00 0.00 H new ATOM 1146 N LEU A 73 -6.873 -1.272 6.248 1.00 0.00 N ATOM 1147 CA LEU A 73 -6.586 -2.576 5.677 1.00 0.00 C ATOM 1148 C LEU A 73 -5.099 -2.850 5.633 1.00 0.00 C ATOM 1149 O LEU A 73 -4.679 -3.978 5.420 1.00 0.00 O ATOM 1150 CB LEU A 73 -7.172 -2.694 4.265 1.00 0.00 C ATOM 1151 CG LEU A 73 -6.953 -1.486 3.334 1.00 0.00 C ATOM 1152 CD1 LEU A 73 -5.621 -0.801 3.592 1.00 0.00 C ATOM 1153 CD2 LEU A 73 -7.021 -1.919 1.882 1.00 0.00 C ATOM 0 H LEU A 73 -7.120 -0.557 5.564 1.00 0.00 H new ATOM 0 HA LEU A 73 -7.054 -3.319 6.323 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -6.743 -3.576 3.789 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.244 -2.869 4.353 1.00 0.00 H new ATOM 0 HG LEU A 73 -7.749 -0.772 3.546 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -5.509 0.045 2.913 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -5.588 -0.446 4.622 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -4.809 -1.509 3.426 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -6.864 -1.055 1.237 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -6.248 -2.662 1.687 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -8.000 -2.352 1.677 1.00 0.00 H new ATOM 1165 N VAL A 74 -4.301 -1.826 5.842 1.00 0.00 N ATOM 1166 CA VAL A 74 -2.868 -1.997 5.829 1.00 0.00 C ATOM 1167 C VAL A 74 -2.392 -2.496 7.184 1.00 0.00 C ATOM 1168 O VAL A 74 -1.233 -2.871 7.356 1.00 0.00 O ATOM 1169 CB VAL A 74 -2.138 -0.694 5.483 1.00 0.00 C ATOM 1170 CG1 VAL A 74 -0.874 -1.008 4.710 1.00 0.00 C ATOM 1171 CG2 VAL A 74 -3.026 0.250 4.681 1.00 0.00 C ATOM 0 H VAL A 74 -4.618 -0.873 6.022 1.00 0.00 H new ATOM 0 HA VAL A 74 -2.635 -2.730 5.057 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.880 -0.191 6.415 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.357 -0.080 4.465 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -0.223 -1.637 5.317 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.131 -1.533 3.790 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -2.475 1.163 4.454 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -3.325 -0.234 3.751 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -3.914 0.497 5.263 1.00 0.00 H new ATOM 1181 N GLU A 75 -3.311 -2.500 8.142 1.00 0.00 N ATOM 1182 CA GLU A 75 -3.011 -2.955 9.494 1.00 0.00 C ATOM 1183 C GLU A 75 -3.203 -4.465 9.616 1.00 0.00 C ATOM 1184 O GLU A 75 -2.598 -5.110 10.472 1.00 0.00 O ATOM 1185 CB GLU A 75 -3.899 -2.229 10.508 1.00 0.00 C ATOM 1186 CG GLU A 75 -3.990 -0.731 10.271 1.00 0.00 C ATOM 1187 CD GLU A 75 -3.375 0.079 11.397 1.00 0.00 C ATOM 1188 OE1 GLU A 75 -3.546 -0.311 12.571 1.00 0.00 O ATOM 1189 OE2 GLU A 75 -2.723 1.103 11.104 1.00 0.00 O ATOM 0 H GLU A 75 -4.274 -2.192 8.007 1.00 0.00 H new ATOM 0 HA GLU A 75 -1.967 -2.723 9.706 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -4.901 -2.656 10.473 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -3.512 -2.407 11.511 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -3.488 -0.484 9.335 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -5.036 -0.449 10.155 1.00 0.00 H new ATOM 1196 N HIS A 76 -4.048 -5.023 8.753 1.00 0.00 N ATOM 1197 CA HIS A 76 -4.316 -6.457 8.766 1.00 0.00 C ATOM 1198 C HIS A 76 -4.806 -6.934 7.401 1.00 0.00 C ATOM 1199 O HIS A 76 -5.539 -7.919 7.306 1.00 0.00 O ATOM 1200 CB HIS A 76 -5.350 -6.793 9.842 1.00 0.00 C ATOM 1201 CG HIS A 76 -4.743 -7.248 11.132 1.00 0.00 C ATOM 1202 ND1 HIS A 76 -5.359 -7.079 12.354 1.00 0.00 N ATOM 1203 CD2 HIS A 76 -3.568 -7.871 11.388 1.00 0.00 C ATOM 1204 CE1 HIS A 76 -4.590 -7.577 13.305 1.00 0.00 C ATOM 1205 NE2 HIS A 76 -3.498 -8.064 12.746 1.00 0.00 N ATOM 0 H HIS A 76 -4.558 -4.505 8.038 1.00 0.00 H new ATOM 0 HA HIS A 76 -3.384 -6.974 8.995 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -5.966 -5.914 10.030 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -6.013 -7.573 9.467 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -2.825 -8.162 10.660 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -4.816 -7.585 14.361 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -2.727 -8.511 13.242 1.00 0.00 H new ATOM 1214 N TYR A 77 -4.389 -6.234 6.346 1.00 0.00 N ATOM 1215 CA TYR A 77 -4.769 -6.576 4.981 1.00 0.00 C ATOM 1216 C TYR A 77 -6.240 -6.988 4.876 1.00 0.00 C ATOM 1217 O TYR A 77 -6.554 -8.124 4.520 1.00 0.00 O ATOM 1218 CB TYR A 77 -3.856 -7.675 4.441 1.00 0.00 C ATOM 1219 CG TYR A 77 -3.411 -8.682 5.480 1.00 0.00 C ATOM 1220 CD1 TYR A 77 -2.365 -8.397 6.349 1.00 0.00 C ATOM 1221 CD2 TYR A 77 -4.039 -9.916 5.592 1.00 0.00 C ATOM 1222 CE1 TYR A 77 -1.957 -9.315 7.299 1.00 0.00 C ATOM 1223 CE2 TYR A 77 -3.637 -10.838 6.539 1.00 0.00 C ATOM 1224 CZ TYR A 77 -2.597 -10.533 7.390 1.00 0.00 C ATOM 1225 OH TYR A 77 -2.194 -11.449 8.334 1.00 0.00 O ATOM 0 H TYR A 77 -3.781 -5.418 6.416 1.00 0.00 H new ATOM 0 HA TYR A 77 -4.648 -5.681 4.371 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -4.375 -8.202 3.641 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -2.973 -7.213 3.998 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -1.863 -7.443 6.281 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -4.855 -10.159 4.928 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -1.141 -9.079 7.966 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -4.135 -11.793 6.612 1.00 0.00 H new ATOM 0 HH TYR A 77 -2.748 -12.254 8.266 1.00 0.00 H new ATOM 1235 N LYS A 78 -7.136 -6.046 5.175 1.00 0.00 N ATOM 1236 CA LYS A 78 -8.573 -6.299 5.101 1.00 0.00 C ATOM 1237 C LYS A 78 -8.997 -6.476 3.639 1.00 0.00 C ATOM 1238 O LYS A 78 -8.420 -7.300 2.930 1.00 0.00 O ATOM 1239 CB LYS A 78 -9.345 -5.155 5.766 1.00 0.00 C ATOM 1240 CG LYS A 78 -8.811 -4.779 7.137 1.00 0.00 C ATOM 1241 CD LYS A 78 -9.440 -5.626 8.231 1.00 0.00 C ATOM 1242 CE LYS A 78 -8.634 -5.563 9.519 1.00 0.00 C ATOM 1243 NZ LYS A 78 -8.463 -6.909 10.133 1.00 0.00 N ATOM 0 H LYS A 78 -6.890 -5.101 5.471 1.00 0.00 H new ATOM 0 HA LYS A 78 -8.805 -7.219 5.638 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -9.309 -4.279 5.118 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -10.393 -5.440 5.859 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -7.729 -4.906 7.154 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -9.012 -3.725 7.330 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -10.457 -5.281 8.420 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -9.511 -6.661 7.896 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -7.655 -5.130 9.314 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -9.133 -4.901 10.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -7.773 -6.852 10.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -9.376 -7.239 10.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -8.121 -7.578 9.414 1.00 0.00 H new ATOM 1257 N LYS A 79 -9.986 -5.705 3.170 1.00 0.00 N ATOM 1258 CA LYS A 79 -10.419 -5.819 1.781 1.00 0.00 C ATOM 1259 C LYS A 79 -9.386 -5.174 0.861 1.00 0.00 C ATOM 1260 O LYS A 79 -9.660 -4.191 0.172 1.00 0.00 O ATOM 1261 CB LYS A 79 -11.785 -5.159 1.593 1.00 0.00 C ATOM 1262 CG LYS A 79 -12.949 -6.058 1.976 1.00 0.00 C ATOM 1263 CD LYS A 79 -13.571 -6.713 0.753 1.00 0.00 C ATOM 1264 CE LYS A 79 -14.779 -7.556 1.127 1.00 0.00 C ATOM 1265 NZ LYS A 79 -15.700 -6.831 2.046 1.00 0.00 N ATOM 0 H LYS A 79 -10.490 -5.011 3.722 1.00 0.00 H new ATOM 0 HA LYS A 79 -10.510 -6.875 1.525 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -11.826 -4.249 2.192 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -11.895 -4.859 0.551 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -12.604 -6.827 2.667 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -13.704 -5.474 2.501 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -13.869 -5.945 0.039 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -12.829 -7.338 0.257 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -15.318 -7.840 0.223 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -14.445 -8.479 1.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -16.617 -7.321 2.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -15.289 -6.806 3.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -15.839 -5.859 1.703 1.00 0.00 H new ATOM 1279 N ALA A 80 -8.197 -5.757 0.869 1.00 0.00 N ATOM 1280 CA ALA A 80 -7.072 -5.305 0.063 1.00 0.00 C ATOM 1281 C ALA A 80 -6.846 -6.242 -1.114 1.00 0.00 C ATOM 1282 O ALA A 80 -7.182 -7.423 -1.037 1.00 0.00 O ATOM 1283 CB ALA A 80 -5.818 -5.206 0.914 1.00 0.00 C ATOM 0 H ALA A 80 -7.983 -6.571 1.445 1.00 0.00 H new ATOM 0 HA ALA A 80 -7.304 -4.314 -0.328 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -4.986 -4.867 0.297 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -5.983 -4.495 1.724 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -5.584 -6.185 1.333 1.00 0.00 H new ATOM 1289 N PRO A 81 -6.226 -5.763 -2.207 1.00 0.00 N ATOM 1290 CA PRO A 81 -5.918 -6.616 -3.358 1.00 0.00 C ATOM 1291 C PRO A 81 -4.843 -7.629 -2.988 1.00 0.00 C ATOM 1292 O PRO A 81 -4.306 -8.334 -3.842 1.00 0.00 O ATOM 1293 CB PRO A 81 -5.367 -5.625 -4.378 1.00 0.00 C ATOM 1294 CG PRO A 81 -4.710 -4.614 -3.518 1.00 0.00 C ATOM 1295 CD PRO A 81 -5.689 -4.402 -2.391 1.00 0.00 C ATOM 0 HA PRO A 81 -6.776 -7.183 -3.718 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -4.661 -6.096 -5.062 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -6.158 -5.188 -4.987 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -3.748 -4.969 -3.149 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -4.522 -3.689 -4.062 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -5.203 -4.028 -1.490 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -6.468 -3.686 -2.654 1.00 0.00 H new ATOM 1303 N ILE A 82 -4.529 -7.676 -1.693 1.00 0.00 N ATOM 1304 CA ILE A 82 -3.527 -8.561 -1.173 1.00 0.00 C ATOM 1305 C ILE A 82 -3.904 -10.004 -1.461 1.00 0.00 C ATOM 1306 O ILE A 82 -5.037 -10.431 -1.234 1.00 0.00 O ATOM 1307 CB ILE A 82 -3.339 -8.334 0.334 1.00 0.00 C ATOM 1308 CG1 ILE A 82 -2.618 -7.005 0.550 1.00 0.00 C ATOM 1309 CG2 ILE A 82 -2.559 -9.473 0.963 1.00 0.00 C ATOM 1310 CD1 ILE A 82 -3.065 -6.272 1.784 1.00 0.00 C ATOM 0 H ILE A 82 -4.974 -7.092 -0.985 1.00 0.00 H new ATOM 0 HA ILE A 82 -2.579 -8.348 -1.667 1.00 0.00 H new ATOM 0 HB ILE A 82 -4.316 -8.302 0.815 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -1.546 -7.189 0.615 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -2.780 -6.368 -0.320 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -2.440 -9.287 2.030 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -3.099 -10.409 0.816 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -1.577 -9.543 0.496 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -2.511 -5.338 1.873 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -4.131 -6.056 1.713 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.878 -6.890 2.662 1.00 0.00 H new ATOM 1322 N PHE A 83 -2.947 -10.726 -1.999 1.00 0.00 N ATOM 1323 CA PHE A 83 -3.148 -12.120 -2.379 1.00 0.00 C ATOM 1324 C PHE A 83 -1.902 -12.964 -2.113 1.00 0.00 C ATOM 1325 O PHE A 83 -0.787 -12.448 -2.092 1.00 0.00 O ATOM 1326 CB PHE A 83 -3.512 -12.180 -3.868 1.00 0.00 C ATOM 1327 CG PHE A 83 -4.762 -12.965 -4.182 1.00 0.00 C ATOM 1328 CD1 PHE A 83 -5.232 -13.949 -3.323 1.00 0.00 C ATOM 1329 CD2 PHE A 83 -5.468 -12.713 -5.349 1.00 0.00 C ATOM 1330 CE1 PHE A 83 -6.378 -14.661 -3.621 1.00 0.00 C ATOM 1331 CE2 PHE A 83 -6.615 -13.422 -5.651 1.00 0.00 C ATOM 1332 CZ PHE A 83 -7.070 -14.398 -4.787 1.00 0.00 C ATOM 0 H PHE A 83 -2.009 -10.372 -2.188 1.00 0.00 H new ATOM 0 HA PHE A 83 -3.956 -12.531 -1.774 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -3.636 -11.163 -4.239 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -2.677 -12.619 -4.414 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -4.695 -14.161 -2.410 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -5.117 -11.953 -6.031 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -6.732 -15.423 -2.943 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -7.155 -13.213 -6.562 1.00 0.00 H new ATOM 0 HZ PHE A 83 -7.965 -14.955 -5.022 1.00 0.00 H new ATOM 1342 N THR A 84 -2.095 -14.270 -1.934 1.00 0.00 N ATOM 1343 CA THR A 84 -0.980 -15.182 -1.696 1.00 0.00 C ATOM 1344 C THR A 84 -1.082 -16.410 -2.599 1.00 0.00 C ATOM 1345 O THR A 84 -2.175 -16.903 -2.874 1.00 0.00 O ATOM 1346 CB THR A 84 -0.929 -15.621 -0.231 1.00 0.00 C ATOM 1347 OG1 THR A 84 -1.038 -14.504 0.633 1.00 0.00 O ATOM 1348 CG2 THR A 84 0.350 -16.355 0.123 1.00 0.00 C ATOM 0 H THR A 84 -3.011 -14.718 -1.949 1.00 0.00 H new ATOM 0 HA THR A 84 -0.061 -14.645 -1.930 1.00 0.00 H new ATOM 0 HB THR A 84 -1.771 -16.301 -0.100 1.00 0.00 H new ATOM 0 HG1 THR A 84 -1.005 -14.807 1.565 1.00 0.00 H new ATOM 0 HG21 THR A 84 0.327 -16.640 1.175 1.00 0.00 H new ATOM 0 HG22 THR A 84 0.439 -17.249 -0.494 1.00 0.00 H new ATOM 0 HG23 THR A 84 1.205 -15.704 -0.057 1.00 0.00 H new ATOM 1356 N SER A 85 0.068 -16.899 -3.053 1.00 0.00 N ATOM 1357 CA SER A 85 0.122 -18.069 -3.920 1.00 0.00 C ATOM 1358 C SER A 85 0.936 -19.178 -3.266 1.00 0.00 C ATOM 1359 O SER A 85 2.026 -18.928 -2.750 1.00 0.00 O ATOM 1360 CB SER A 85 0.729 -17.700 -5.275 1.00 0.00 C ATOM 1361 OG SER A 85 0.013 -18.305 -6.337 1.00 0.00 O ATOM 0 H SER A 85 0.980 -16.499 -2.832 1.00 0.00 H new ATOM 0 HA SER A 85 -0.895 -18.428 -4.078 1.00 0.00 H new ATOM 0 HB2 SER A 85 0.721 -16.617 -5.398 1.00 0.00 H new ATOM 0 HB3 SER A 85 1.771 -18.017 -5.308 1.00 0.00 H new ATOM 0 HG SER A 85 0.420 -18.052 -7.192 1.00 0.00 H new ATOM 1367 N GLU A 86 0.387 -20.395 -3.285 1.00 0.00 N ATOM 1368 CA GLU A 86 1.031 -21.571 -2.687 1.00 0.00 C ATOM 1369 C GLU A 86 2.555 -21.527 -2.804 1.00 0.00 C ATOM 1370 O GLU A 86 3.261 -21.623 -1.800 1.00 0.00 O ATOM 1371 CB GLU A 86 0.501 -22.849 -3.341 1.00 0.00 C ATOM 1372 CG GLU A 86 -0.728 -23.419 -2.651 1.00 0.00 C ATOM 1373 CD GLU A 86 -1.285 -24.635 -3.364 1.00 0.00 C ATOM 1374 OE1 GLU A 86 -0.515 -25.588 -3.605 1.00 0.00 O ATOM 1375 OE2 GLU A 86 -2.494 -24.636 -3.681 1.00 0.00 O ATOM 0 H GLU A 86 -0.516 -20.595 -3.715 1.00 0.00 H new ATOM 0 HA GLU A 86 0.784 -21.565 -1.625 1.00 0.00 H new ATOM 0 HB2 GLU A 86 0.259 -22.641 -4.383 1.00 0.00 H new ATOM 0 HB3 GLU A 86 1.290 -23.602 -3.341 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -0.473 -23.689 -1.626 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -1.499 -22.650 -2.596 1.00 0.00 H new ATOM 1382 N HIS A 87 3.058 -21.385 -4.029 1.00 0.00 N ATOM 1383 CA HIS A 87 4.502 -21.332 -4.262 1.00 0.00 C ATOM 1384 C HIS A 87 5.182 -20.392 -3.269 1.00 0.00 C ATOM 1385 O HIS A 87 6.349 -20.575 -2.922 1.00 0.00 O ATOM 1386 CB HIS A 87 4.793 -20.878 -5.694 1.00 0.00 C ATOM 1387 CG HIS A 87 4.916 -22.011 -6.665 1.00 0.00 C ATOM 1388 ND1 HIS A 87 4.034 -22.211 -7.705 1.00 0.00 N ATOM 1389 CD2 HIS A 87 5.826 -23.011 -6.748 1.00 0.00 C ATOM 1390 CE1 HIS A 87 4.394 -23.284 -8.386 1.00 0.00 C ATOM 1391 NE2 HIS A 87 5.478 -23.787 -7.827 1.00 0.00 N ATOM 0 H HIS A 87 2.491 -21.305 -4.873 1.00 0.00 H new ATOM 0 HA HIS A 87 4.904 -22.335 -4.117 1.00 0.00 H new ATOM 0 HB2 HIS A 87 3.997 -20.211 -6.024 1.00 0.00 H new ATOM 0 HB3 HIS A 87 5.717 -20.300 -5.703 1.00 0.00 H new ATOM 0 HD2 HIS A 87 6.667 -23.169 -6.089 1.00 0.00 H new ATOM 0 HE1 HIS A 87 3.887 -23.682 -9.253 1.00 0.00 H new ATOM 0 HE2 HIS A 87 5.977 -24.618 -8.145 1.00 0.00 H new ATOM 1400 N GLY A 88 4.437 -19.393 -2.812 1.00 0.00 N ATOM 1401 CA GLY A 88 4.965 -18.438 -1.858 1.00 0.00 C ATOM 1402 C GLY A 88 4.818 -17.001 -2.320 1.00 0.00 C ATOM 1403 O GLY A 88 5.397 -16.093 -1.723 1.00 0.00 O ATOM 0 H GLY A 88 3.469 -19.227 -3.088 1.00 0.00 H new ATOM 0 HA2 GLY A 88 4.451 -18.562 -0.905 1.00 0.00 H new ATOM 0 HA3 GLY A 88 6.019 -18.652 -1.682 1.00 0.00 H new ATOM 1407 N GLU A 89 4.042 -16.784 -3.380 1.00 0.00 N ATOM 1408 CA GLU A 89 3.834 -15.441 -3.897 1.00 0.00 C ATOM 1409 C GLU A 89 2.813 -14.703 -3.065 1.00 0.00 C ATOM 1410 O GLU A 89 1.612 -14.921 -3.188 1.00 0.00 O ATOM 1411 CB GLU A 89 3.414 -15.490 -5.355 1.00 0.00 C ATOM 1412 CG GLU A 89 4.614 -15.480 -6.265 1.00 0.00 C ATOM 1413 CD GLU A 89 4.715 -16.722 -7.130 1.00 0.00 C ATOM 1414 OE1 GLU A 89 5.334 -17.710 -6.680 1.00 0.00 O ATOM 1415 OE2 GLU A 89 4.176 -16.707 -8.256 1.00 0.00 O ATOM 0 H GLU A 89 3.552 -17.518 -3.892 1.00 0.00 H new ATOM 0 HA GLU A 89 4.777 -14.897 -3.834 1.00 0.00 H new ATOM 0 HB2 GLU A 89 2.823 -16.388 -5.537 1.00 0.00 H new ATOM 0 HB3 GLU A 89 2.775 -14.637 -5.581 1.00 0.00 H new ATOM 0 HG2 GLU A 89 4.568 -14.600 -6.907 1.00 0.00 H new ATOM 0 HG3 GLU A 89 5.518 -15.389 -5.663 1.00 0.00 H new ATOM 1422 N LYS A 90 3.311 -13.844 -2.198 1.00 0.00 N ATOM 1423 CA LYS A 90 2.449 -13.086 -1.300 1.00 0.00 C ATOM 1424 C LYS A 90 2.410 -11.598 -1.628 1.00 0.00 C ATOM 1425 O LYS A 90 3.422 -10.988 -1.973 1.00 0.00 O ATOM 1426 CB LYS A 90 2.905 -13.282 0.146 1.00 0.00 C ATOM 1427 CG LYS A 90 3.143 -14.739 0.514 1.00 0.00 C ATOM 1428 CD LYS A 90 4.509 -14.945 1.151 1.00 0.00 C ATOM 1429 CE LYS A 90 4.396 -15.191 2.647 1.00 0.00 C ATOM 1430 NZ LYS A 90 5.499 -14.534 3.403 1.00 0.00 N ATOM 0 H LYS A 90 4.307 -13.650 -2.093 1.00 0.00 H new ATOM 0 HA LYS A 90 1.438 -13.470 -1.434 1.00 0.00 H new ATOM 0 HB2 LYS A 90 3.824 -12.719 0.308 1.00 0.00 H new ATOM 0 HB3 LYS A 90 2.153 -12.864 0.816 1.00 0.00 H new ATOM 0 HG2 LYS A 90 2.367 -15.071 1.203 1.00 0.00 H new ATOM 0 HG3 LYS A 90 3.062 -15.358 -0.380 1.00 0.00 H new ATOM 0 HD2 LYS A 90 5.008 -15.792 0.679 1.00 0.00 H new ATOM 0 HD3 LYS A 90 5.131 -14.068 0.972 1.00 0.00 H new ATOM 0 HE2 LYS A 90 3.437 -14.816 3.005 1.00 0.00 H new ATOM 0 HE3 LYS A 90 4.412 -16.264 2.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 5.386 -14.726 4.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 6.413 -14.910 3.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 5.469 -13.507 3.239 1.00 0.00 H new ATOM 1444 N LEU A 91 1.222 -11.025 -1.474 1.00 0.00 N ATOM 1445 CA LEU A 91 0.992 -9.604 -1.702 1.00 0.00 C ATOM 1446 C LEU A 91 0.429 -9.006 -0.433 1.00 0.00 C ATOM 1447 O LEU A 91 -0.777 -8.964 -0.274 1.00 0.00 O ATOM 1448 CB LEU A 91 -0.047 -9.405 -2.811 1.00 0.00 C ATOM 1449 CG LEU A 91 0.415 -8.754 -4.107 1.00 0.00 C ATOM 1450 CD1 LEU A 91 -0.193 -7.370 -4.198 1.00 0.00 C ATOM 1451 CD2 LEU A 91 1.931 -8.700 -4.202 1.00 0.00 C ATOM 0 H LEU A 91 0.387 -11.536 -1.186 1.00 0.00 H new ATOM 0 HA LEU A 91 1.931 -9.131 -1.989 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -0.466 -10.381 -3.057 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -0.860 -8.803 -2.405 1.00 0.00 H new ATOM 0 HG LEU A 91 0.077 -9.357 -4.950 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.130 -6.891 -5.122 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -1.280 -7.449 -4.190 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.133 -6.773 -3.347 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.220 -8.228 -5.141 1.00 0.00 H new ATOM 0 HD22 LEU A 91 2.327 -8.121 -3.368 1.00 0.00 H new ATOM 0 HD23 LEU A 91 2.334 -9.712 -4.165 1.00 0.00 H new ATOM 1463 N TYR A 92 1.291 -8.563 0.461 1.00 0.00 N ATOM 1464 CA TYR A 92 0.836 -7.995 1.732 1.00 0.00 C ATOM 1465 C TYR A 92 1.392 -6.601 1.986 1.00 0.00 C ATOM 1466 O TYR A 92 2.499 -6.271 1.562 1.00 0.00 O ATOM 1467 CB TYR A 92 1.226 -8.920 2.887 1.00 0.00 C ATOM 1468 CG TYR A 92 2.683 -9.325 2.873 1.00 0.00 C ATOM 1469 CD1 TYR A 92 3.654 -8.512 3.443 1.00 0.00 C ATOM 1470 CD2 TYR A 92 3.086 -10.520 2.291 1.00 0.00 C ATOM 1471 CE1 TYR A 92 4.987 -8.878 3.433 1.00 0.00 C ATOM 1472 CE2 TYR A 92 4.417 -10.893 2.276 1.00 0.00 C ATOM 1473 CZ TYR A 92 5.362 -10.069 2.848 1.00 0.00 C ATOM 1474 OH TYR A 92 6.689 -10.437 2.834 1.00 0.00 O ATOM 0 H TYR A 92 2.304 -8.581 0.341 1.00 0.00 H new ATOM 0 HA TYR A 92 -0.249 -7.906 1.669 1.00 0.00 H new ATOM 0 HB2 TYR A 92 1.005 -8.422 3.831 1.00 0.00 H new ATOM 0 HB3 TYR A 92 0.608 -9.817 2.848 1.00 0.00 H new ATOM 0 HD1 TYR A 92 3.363 -7.579 3.902 1.00 0.00 H new ATOM 0 HD2 TYR A 92 2.348 -11.168 1.843 1.00 0.00 H new ATOM 0 HE1 TYR A 92 5.730 -8.235 3.881 1.00 0.00 H new ATOM 0 HE2 TYR A 92 4.715 -11.825 1.819 1.00 0.00 H new ATOM 0 HH TYR A 92 6.784 -11.303 2.385 1.00 0.00 H new ATOM 1484 N LEU A 93 0.612 -5.793 2.705 1.00 0.00 N ATOM 1485 CA LEU A 93 1.020 -4.436 3.043 1.00 0.00 C ATOM 1486 C LEU A 93 1.814 -4.425 4.346 1.00 0.00 C ATOM 1487 O LEU A 93 1.397 -3.819 5.333 1.00 0.00 O ATOM 1488 CB LEU A 93 -0.192 -3.506 3.171 1.00 0.00 C ATOM 1489 CG LEU A 93 -1.266 -3.644 2.087 1.00 0.00 C ATOM 1490 CD1 LEU A 93 -2.648 -3.486 2.686 1.00 0.00 C ATOM 1491 CD2 LEU A 93 -1.072 -2.607 1.000 1.00 0.00 C ATOM 0 H LEU A 93 -0.306 -6.058 3.063 1.00 0.00 H new ATOM 0 HA LEU A 93 1.652 -4.071 2.233 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -0.658 -3.682 4.140 1.00 0.00 H new ATOM 0 HB3 LEU A 93 0.165 -2.476 3.171 1.00 0.00 H new ATOM 0 HG LEU A 93 -1.172 -4.638 1.651 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -3.398 -3.587 1.902 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -2.807 -4.255 3.442 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -2.735 -2.502 3.146 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -1.846 -2.725 0.242 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -1.138 -1.609 1.433 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -0.092 -2.740 0.541 1.00 0.00 H new ATOM 1503 N VAL A 94 2.957 -5.103 4.344 1.00 0.00 N ATOM 1504 CA VAL A 94 3.807 -5.176 5.528 1.00 0.00 C ATOM 1505 C VAL A 94 4.140 -3.773 6.053 1.00 0.00 C ATOM 1506 O VAL A 94 3.321 -3.152 6.730 1.00 0.00 O ATOM 1507 CB VAL A 94 5.099 -5.977 5.234 1.00 0.00 C ATOM 1508 CG1 VAL A 94 5.724 -5.538 3.919 1.00 0.00 C ATOM 1509 CG2 VAL A 94 6.093 -5.872 6.387 1.00 0.00 C ATOM 0 H VAL A 94 3.317 -5.610 3.535 1.00 0.00 H new ATOM 0 HA VAL A 94 3.254 -5.703 6.305 1.00 0.00 H new ATOM 0 HB VAL A 94 4.825 -7.028 5.137 1.00 0.00 H new ATOM 0 HG11 VAL A 94 6.630 -6.116 3.736 1.00 0.00 H new ATOM 0 HG12 VAL A 94 5.017 -5.705 3.106 1.00 0.00 H new ATOM 0 HG13 VAL A 94 5.974 -4.478 3.971 1.00 0.00 H new ATOM 0 HG21 VAL A 94 6.989 -6.445 6.149 1.00 0.00 H new ATOM 0 HG22 VAL A 94 6.362 -4.827 6.542 1.00 0.00 H new ATOM 0 HG23 VAL A 94 5.640 -6.268 7.296 1.00 0.00 H new ATOM 1519 N ARG A 95 5.333 -3.277 5.740 1.00 0.00 N ATOM 1520 CA ARG A 95 5.753 -1.952 6.183 1.00 0.00 C ATOM 1521 C ARG A 95 7.100 -1.574 5.603 1.00 0.00 C ATOM 1522 O ARG A 95 7.753 -2.360 4.919 1.00 0.00 O ATOM 1523 CB ARG A 95 5.848 -1.839 7.706 1.00 0.00 C ATOM 1524 CG ARG A 95 4.582 -1.338 8.397 1.00 0.00 C ATOM 1525 CD ARG A 95 3.823 -0.320 7.556 1.00 0.00 C ATOM 1526 NE ARG A 95 2.848 0.427 8.347 1.00 0.00 N ATOM 1527 CZ ARG A 95 1.998 1.313 7.832 1.00 0.00 C ATOM 1528 NH1 ARG A 95 2.001 1.566 6.529 1.00 0.00 N ATOM 1529 NH2 ARG A 95 1.142 1.948 8.621 1.00 0.00 N ATOM 0 H ARG A 95 6.027 -3.773 5.181 1.00 0.00 H new ATOM 0 HA ARG A 95 4.981 -1.272 5.824 1.00 0.00 H new ATOM 0 HB2 ARG A 95 6.102 -2.818 8.113 1.00 0.00 H new ATOM 0 HB3 ARG A 95 6.670 -1.167 7.955 1.00 0.00 H new ATOM 0 HG2 ARG A 95 3.930 -2.185 8.613 1.00 0.00 H new ATOM 0 HG3 ARG A 95 4.848 -0.888 9.354 1.00 0.00 H new ATOM 0 HD2 ARG A 95 4.530 0.375 7.102 1.00 0.00 H new ATOM 0 HD3 ARG A 95 3.312 -0.832 6.741 1.00 0.00 H new ATOM 0 HE ARG A 95 2.817 0.260 9.353 1.00 0.00 H new ATOM 0 HH11 ARG A 95 2.657 1.081 5.917 1.00 0.00 H new ATOM 0 HH12 ARG A 95 1.348 2.246 6.140 1.00 0.00 H new ATOM 0 HH21 ARG A 95 1.135 1.758 9.623 1.00 0.00 H new ATOM 0 HH22 ARG A 95 0.491 2.627 8.226 1.00 0.00 H new ATOM 1543 N ALA A 96 7.495 -0.350 5.899 1.00 0.00 N ATOM 1544 CA ALA A 96 8.754 0.195 5.442 1.00 0.00 C ATOM 1545 C ALA A 96 9.923 -0.370 6.245 1.00 0.00 C ATOM 1546 O ALA A 96 9.964 -0.248 7.469 1.00 0.00 O ATOM 1547 CB ALA A 96 8.703 1.699 5.591 1.00 0.00 C ATOM 0 H ALA A 96 6.946 0.296 6.467 1.00 0.00 H new ATOM 0 HA ALA A 96 8.908 -0.080 4.398 1.00 0.00 H new ATOM 0 HB1 ALA A 96 9.645 2.130 5.251 1.00 0.00 H new ATOM 0 HB2 ALA A 96 7.884 2.097 4.991 1.00 0.00 H new ATOM 0 HB3 ALA A 96 8.543 1.956 6.638 1.00 0.00 H new ATOM 1553 N LEU A 97 10.870 -0.988 5.547 1.00 0.00 N ATOM 1554 CA LEU A 97 12.040 -1.572 6.195 1.00 0.00 C ATOM 1555 C LEU A 97 13.185 -1.738 5.202 1.00 0.00 C ATOM 1556 O LEU A 97 13.285 -2.758 4.521 1.00 0.00 O ATOM 1557 CB LEU A 97 11.686 -2.927 6.813 1.00 0.00 C ATOM 1558 CG LEU A 97 11.077 -2.860 8.217 1.00 0.00 C ATOM 1559 CD1 LEU A 97 9.583 -3.137 8.165 1.00 0.00 C ATOM 1560 CD2 LEU A 97 11.770 -3.844 9.148 1.00 0.00 C ATOM 0 H LEU A 97 10.851 -1.098 4.533 1.00 0.00 H new ATOM 0 HA LEU A 97 12.362 -0.894 6.985 1.00 0.00 H new ATOM 0 HB2 LEU A 97 10.985 -3.438 6.153 1.00 0.00 H new ATOM 0 HB3 LEU A 97 12.588 -3.538 6.854 1.00 0.00 H new ATOM 0 HG LEU A 97 11.227 -1.854 8.608 1.00 0.00 H new ATOM 0 HD11 LEU A 97 9.168 -3.085 9.172 1.00 0.00 H new ATOM 0 HD12 LEU A 97 9.097 -2.394 7.533 1.00 0.00 H new ATOM 0 HD13 LEU A 97 9.411 -4.131 7.753 1.00 0.00 H new ATOM 0 HD21 LEU A 97 11.324 -3.782 10.141 1.00 0.00 H new ATOM 0 HD22 LEU A 97 11.653 -4.856 8.760 1.00 0.00 H new ATOM 0 HD23 LEU A 97 12.830 -3.600 9.211 1.00 0.00 H new ATOM 1572 N GLN A 98 14.047 -0.729 5.124 1.00 0.00 N ATOM 1573 CA GLN A 98 15.185 -0.765 4.213 1.00 0.00 C ATOM 1574 C GLN A 98 16.295 -1.656 4.762 1.00 0.00 C ATOM 1575 O GLN A 98 16.376 -1.805 6.000 1.00 0.00 O ATOM 1576 CB GLN A 98 15.720 0.649 3.976 1.00 0.00 C ATOM 1577 CG GLN A 98 16.270 1.310 5.229 1.00 0.00 C ATOM 1578 CD GLN A 98 16.252 2.824 5.145 1.00 0.00 C ATOM 1579 OE1 GLN A 98 15.659 3.498 5.988 1.00 0.00 O ATOM 1580 NE2 GLN A 98 16.905 3.368 4.125 1.00 0.00 N ATOM 1581 OXT GLN A 98 17.073 -2.199 3.950 1.00 0.00 O ATOM 0 H GLN A 98 13.979 0.123 5.681 1.00 0.00 H new ATOM 0 HA GLN A 98 14.846 -1.182 3.265 1.00 0.00 H new ATOM 0 HB2 GLN A 98 16.506 0.609 3.222 1.00 0.00 H new ATOM 0 HB3 GLN A 98 14.920 1.268 3.570 1.00 0.00 H new ATOM 0 HG2 GLN A 98 15.684 0.991 6.091 1.00 0.00 H new ATOM 0 HG3 GLN A 98 17.293 0.971 5.395 1.00 0.00 H new ATOM 0 HE21 GLN A 98 17.383 2.772 3.449 1.00 0.00 H new ATOM 0 HE22 GLN A 98 16.929 4.382 4.017 1.00 0.00 H new