USER MOD reduce.3.24.130724 H: found=0, std=0, add=842, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 844 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 85 THR OG1 : rot 180:sc= -0.379 USER MOD Set 1.2: A 117 THR OG1 : rot 180:sc= -0.358 USER MOD Set 2.1: A 43 HIS : no HE2:sc= -3.08 K(o=-3.5,f=-4.5) USER MOD Set 2.2: A 45 GLN : amide:sc= -0.466 X(o=-3.5,f=-3.8) USER MOD Single : A 16 ASN : amide:sc= -5.72! C(o=-5.7!,f=-11!) USER MOD Single : A 21 LYS NZ :NH3+ -122:sc= 0.00721 (180deg=-0.126) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 15:sc= 0.00158 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -8.55! C(o=-8.6!,f=-9.3!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.131 USER MOD Single : A 47 SER OG : rot 180:sc= -0.166 USER MOD Single : A 50 ASN : amide:sc= -0.278 X(o=-0.28,f=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.071 X(o=-0.071,f=-0.071) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 CYS SG : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 SER OG : rot -28:sc= 0.529 USER MOD Single : A 80 MET CE :methyl -138:sc= -0.935 (180deg=-2.63) USER MOD Single : A 87 MET CE :methyl 164:sc= 0 (180deg=-0.114) USER MOD Single : A 89 THR OG1 : rot 48:sc= 0.289 USER MOD Single : A 92 SER OG : rot -97:sc= 0.0594 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 CYS SG : rot 65:sc= -0.0404 USER MOD Single : A 96 TYR OH : rot -81:sc= -0.652 USER MOD Single : A 99 GLN : amide:sc= -1.25 K(o=-1.2,f=-5.4!) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 HIS :FLIP no HE2:sc= -2.04 F(o=-4.6!,f=-2) USER MOD Single : A 113 CYS SG : rot 180:sc= -0.0218 USER MOD Single : A 119 LYS NZ :NH3+ -124:sc= -0.133 (180deg=-0.806) USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 120 N LEU A 11 -6.386 -12.095 3.616 1.00 0.00 N ATOM 121 CA LEU A 11 -7.412 -11.910 2.596 1.00 0.00 C ATOM 122 C LEU A 11 -6.797 -11.898 1.200 1.00 0.00 C ATOM 123 O LEU A 11 -5.932 -11.076 0.899 1.00 0.00 O ATOM 124 CB LEU A 11 -8.173 -10.606 2.841 1.00 0.00 C ATOM 125 CG LEU A 11 -8.983 -10.069 1.660 1.00 0.00 C ATOM 126 CD1 LEU A 11 -10.206 -9.311 2.152 1.00 0.00 C ATOM 127 CD2 LEU A 11 -8.118 -9.177 0.782 1.00 0.00 C ATOM 0 HA LEU A 11 -8.107 -12.747 2.659 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -8.850 -10.756 3.682 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -7.456 -9.842 3.142 1.00 0.00 H new ATOM 0 HG LEU A 11 -9.322 -10.915 1.062 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -10.770 -8.936 1.298 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -10.837 -9.979 2.738 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -9.889 -8.473 2.773 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -8.711 -8.804 -0.053 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -7.749 -8.336 1.369 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -7.274 -9.751 0.400 1.00 0.00 H new ATOM 139 N ASP A 12 -7.251 -12.814 0.351 1.00 0.00 N ATOM 140 CA ASP A 12 -6.748 -12.907 -1.014 1.00 0.00 C ATOM 141 C ASP A 12 -7.320 -11.789 -1.881 1.00 0.00 C ATOM 142 O ASP A 12 -8.475 -11.847 -2.303 1.00 0.00 O ATOM 143 CB ASP A 12 -7.099 -14.268 -1.618 1.00 0.00 C ATOM 144 CG ASP A 12 -6.434 -15.415 -0.884 1.00 0.00 C ATOM 145 OD1 ASP A 12 -5.209 -15.340 -0.650 1.00 0.00 O ATOM 146 OD2 ASP A 12 -7.138 -16.388 -0.543 1.00 0.00 O ATOM 0 H ASP A 12 -7.966 -13.502 0.585 1.00 0.00 H new ATOM 0 HA ASP A 12 -5.664 -12.801 -0.984 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -8.180 -14.404 -1.596 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -6.797 -14.287 -2.665 1.00 0.00 H new ATOM 151 N ILE A 13 -6.504 -10.774 -2.142 1.00 0.00 N ATOM 152 CA ILE A 13 -6.928 -9.643 -2.959 1.00 0.00 C ATOM 153 C ILE A 13 -7.120 -10.057 -4.414 1.00 0.00 C ATOM 154 O ILE A 13 -8.068 -9.628 -5.073 1.00 0.00 O ATOM 155 CB ILE A 13 -5.911 -8.489 -2.895 1.00 0.00 C ATOM 156 CG1 ILE A 13 -6.057 -7.724 -1.578 1.00 0.00 C ATOM 157 CG2 ILE A 13 -6.096 -7.554 -4.080 1.00 0.00 C ATOM 158 CD1 ILE A 13 -4.913 -6.774 -1.301 1.00 0.00 C ATOM 0 H ILE A 13 -5.545 -10.711 -1.800 1.00 0.00 H new ATOM 0 HA ILE A 13 -7.880 -9.300 -2.553 1.00 0.00 H new ATOM 0 HB ILE A 13 -4.906 -8.907 -2.941 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -6.990 -7.161 -1.596 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -6.132 -8.439 -0.758 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -5.370 -6.743 -4.021 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -5.947 -8.108 -5.007 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -7.104 -7.140 -4.063 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -5.083 -6.266 -0.352 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -3.979 -7.334 -1.251 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -4.851 -6.036 -2.101 1.00 0.00 H new ATOM 170 N LEU A 14 -6.216 -10.895 -4.908 1.00 0.00 N ATOM 171 CA LEU A 14 -6.285 -11.370 -6.286 1.00 0.00 C ATOM 172 C LEU A 14 -6.874 -12.776 -6.348 1.00 0.00 C ATOM 173 O LEU A 14 -7.522 -13.146 -7.326 1.00 0.00 O ATOM 174 CB LEU A 14 -4.894 -11.359 -6.921 1.00 0.00 C ATOM 175 CG LEU A 14 -4.225 -9.989 -7.048 1.00 0.00 C ATOM 176 CD1 LEU A 14 -2.715 -10.139 -7.141 1.00 0.00 C ATOM 177 CD2 LEU A 14 -4.764 -9.243 -8.260 1.00 0.00 C ATOM 0 H LEU A 14 -5.426 -11.260 -4.375 1.00 0.00 H new ATOM 0 HA LEU A 14 -6.937 -10.698 -6.844 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.243 -12.006 -6.333 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.967 -11.799 -7.916 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.458 -9.408 -6.155 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.256 -9.154 -7.231 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.342 -10.632 -6.243 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.462 -10.738 -8.016 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.277 -8.271 -8.335 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.562 -9.820 -9.162 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.840 -9.103 -8.152 1.00 0.00 H new ATOM 189 N GLY A 15 -6.644 -13.556 -5.296 1.00 0.00 N ATOM 190 CA GLY A 15 -7.159 -14.911 -5.250 1.00 0.00 C ATOM 191 C GLY A 15 -6.075 -15.951 -5.451 1.00 0.00 C ATOM 192 O GLY A 15 -6.319 -17.148 -5.304 1.00 0.00 O ATOM 0 H GLY A 15 -6.110 -13.273 -4.475 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -7.645 -15.079 -4.289 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -7.922 -15.033 -6.019 1.00 0.00 H new ATOM 196 N ASN A 16 -4.874 -15.494 -5.791 1.00 0.00 N ATOM 197 CA ASN A 16 -3.749 -16.394 -6.015 1.00 0.00 C ATOM 198 C ASN A 16 -3.020 -16.690 -4.708 1.00 0.00 C ATOM 199 O ASN A 16 -2.633 -17.828 -4.445 1.00 0.00 O ATOM 200 CB ASN A 16 -2.776 -15.785 -7.027 1.00 0.00 C ATOM 201 CG ASN A 16 -2.856 -14.271 -7.067 1.00 0.00 C ATOM 202 OD1 ASN A 16 -3.806 -13.702 -7.604 1.00 0.00 O ATOM 203 ND2 ASN A 16 -1.854 -13.611 -6.498 1.00 0.00 N ATOM 0 H ASN A 16 -4.655 -14.506 -5.917 1.00 0.00 H new ATOM 0 HA ASN A 16 -4.139 -17.331 -6.413 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -1.759 -16.086 -6.776 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -2.990 -16.184 -8.019 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -1.852 -12.591 -6.495 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -1.087 -14.124 -6.064 1.00 0.00 H new ATOM 210 N GLY A 17 -2.838 -15.657 -3.891 1.00 0.00 N ATOM 211 CA GLY A 17 -2.157 -15.827 -2.620 1.00 0.00 C ATOM 212 C GLY A 17 -1.034 -14.827 -2.426 1.00 0.00 C ATOM 213 O GLY A 17 -0.674 -14.499 -1.295 1.00 0.00 O ATOM 0 H GLY A 17 -3.150 -14.706 -4.086 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -2.877 -15.722 -1.809 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -1.754 -16.838 -2.560 1.00 0.00 H new ATOM 217 N LEU A 18 -0.478 -14.343 -3.531 1.00 0.00 N ATOM 218 CA LEU A 18 0.613 -13.376 -3.478 1.00 0.00 C ATOM 219 C LEU A 18 0.164 -12.086 -2.797 1.00 0.00 C ATOM 220 O LEU A 18 0.621 -11.759 -1.701 1.00 0.00 O ATOM 221 CB LEU A 18 1.120 -13.071 -4.888 1.00 0.00 C ATOM 222 CG LEU A 18 1.958 -14.166 -5.551 1.00 0.00 C ATOM 223 CD1 LEU A 18 3.327 -14.261 -4.896 1.00 0.00 C ATOM 224 CD2 LEU A 18 1.237 -15.504 -5.482 1.00 0.00 C ATOM 0 H LEU A 18 -0.765 -14.604 -4.474 1.00 0.00 H new ATOM 0 HA LEU A 18 1.424 -13.812 -2.894 1.00 0.00 H new ATOM 0 HB2 LEU A 18 0.260 -12.863 -5.525 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.715 -12.159 -4.849 1.00 0.00 H new ATOM 0 HG LEU A 18 2.098 -13.905 -6.600 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.909 -15.045 -5.381 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.846 -13.308 -4.998 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.209 -14.498 -3.839 1.00 0.00 H new ATOM 0 HD21 LEU A 18 1.847 -16.271 -5.958 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.066 -15.772 -4.439 1.00 0.00 H new ATOM 0 HD23 LEU A 18 0.280 -15.429 -5.999 1.00 0.00 H new ATOM 236 N LEU A 19 -0.733 -11.359 -3.453 1.00 0.00 N ATOM 237 CA LEU A 19 -1.246 -10.106 -2.910 1.00 0.00 C ATOM 238 C LEU A 19 -2.369 -10.364 -1.910 1.00 0.00 C ATOM 239 O LEU A 19 -3.384 -10.975 -2.246 1.00 0.00 O ATOM 240 CB LEU A 19 -1.751 -9.206 -4.040 1.00 0.00 C ATOM 241 CG LEU A 19 -2.240 -7.818 -3.625 1.00 0.00 C ATOM 242 CD1 LEU A 19 -1.077 -6.965 -3.144 1.00 0.00 C ATOM 243 CD2 LEU A 19 -2.960 -7.139 -4.781 1.00 0.00 C ATOM 0 H LEU A 19 -1.120 -11.615 -4.361 1.00 0.00 H new ATOM 0 HA LEU A 19 -0.430 -9.604 -2.390 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.948 -9.084 -4.767 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.567 -9.719 -4.549 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.945 -7.933 -2.801 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.444 -5.981 -2.853 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.604 -7.444 -2.287 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.348 -6.858 -3.947 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.301 -6.152 -4.468 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.277 -7.036 -5.625 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.818 -7.742 -5.080 1.00 0.00 H new ATOM 255 N ARG A 20 -2.181 -9.893 -0.682 1.00 0.00 N ATOM 256 CA ARG A 20 -3.178 -10.073 0.366 1.00 0.00 C ATOM 257 C ARG A 20 -3.457 -8.755 1.082 1.00 0.00 C ATOM 258 O ARG A 20 -2.723 -7.780 0.921 1.00 0.00 O ATOM 259 CB ARG A 20 -2.707 -11.123 1.374 1.00 0.00 C ATOM 260 CG ARG A 20 -2.657 -12.532 0.806 1.00 0.00 C ATOM 261 CD ARG A 20 -1.575 -13.365 1.477 1.00 0.00 C ATOM 262 NE ARG A 20 -0.275 -13.193 0.834 1.00 0.00 N ATOM 263 CZ ARG A 20 0.697 -14.097 0.891 1.00 0.00 C ATOM 264 NH1 ARG A 20 0.517 -15.229 1.557 1.00 0.00 N ATOM 265 NH2 ARG A 20 1.853 -13.869 0.280 1.00 0.00 N ATOM 0 H ARG A 20 -1.347 -9.384 -0.388 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.101 -10.416 -0.101 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -1.715 -10.850 1.734 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.373 -11.111 2.236 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -3.625 -13.014 0.941 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -2.470 -12.487 -0.267 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -1.500 -13.084 2.527 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -1.857 -14.417 1.448 1.00 0.00 H new ATOM 0 HE ARG A 20 -0.104 -12.333 0.313 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -0.370 -15.408 2.028 1.00 0.00 H new ATOM 0 HH12 ARG A 20 1.265 -15.921 1.599 1.00 0.00 H new ATOM 0 HH21 ARG A 20 1.996 -12.999 -0.234 1.00 0.00 H new ATOM 0 HH22 ARG A 20 2.599 -14.563 0.324 1.00 0.00 H new ATOM 279 N LYS A 21 -4.525 -8.732 1.874 1.00 0.00 N ATOM 280 CA LYS A 21 -4.902 -7.534 2.616 1.00 0.00 C ATOM 281 C LYS A 21 -5.109 -7.853 4.093 1.00 0.00 C ATOM 282 O LYS A 21 -5.751 -8.844 4.441 1.00 0.00 O ATOM 283 CB LYS A 21 -6.179 -6.927 2.030 1.00 0.00 C ATOM 284 CG LYS A 21 -6.262 -5.419 2.185 1.00 0.00 C ATOM 285 CD LYS A 21 -7.296 -4.818 1.248 1.00 0.00 C ATOM 286 CE LYS A 21 -8.708 -5.222 1.643 1.00 0.00 C ATOM 287 NZ LYS A 21 -9.130 -4.585 2.922 1.00 0.00 N ATOM 0 H LYS A 21 -5.144 -9.529 2.018 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.091 -6.811 2.528 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.238 -7.179 0.971 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -7.043 -7.382 2.515 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.516 -5.172 3.216 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -5.286 -4.977 1.983 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.211 -3.731 1.259 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.096 -5.143 0.227 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.401 -4.940 0.851 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -8.761 -6.306 1.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -9.385 -5.322 3.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.347 -4.015 3.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.953 -3.973 2.750 1.00 0.00 H new ATOM 301 N LYS A 22 -4.563 -7.006 4.959 1.00 0.00 N ATOM 302 CA LYS A 22 -4.690 -7.194 6.399 1.00 0.00 C ATOM 303 C LYS A 22 -5.070 -5.887 7.087 1.00 0.00 C ATOM 304 O LYS A 22 -4.210 -5.058 7.387 1.00 0.00 O ATOM 305 CB LYS A 22 -3.380 -7.728 6.981 1.00 0.00 C ATOM 306 CG LYS A 22 -3.343 -7.724 8.500 1.00 0.00 C ATOM 307 CD LYS A 22 -2.027 -8.271 9.027 1.00 0.00 C ATOM 308 CE LYS A 22 -1.644 -7.623 10.349 1.00 0.00 C ATOM 309 NZ LYS A 22 -2.160 -8.394 11.514 1.00 0.00 N ATOM 0 H LYS A 22 -4.027 -6.181 4.688 1.00 0.00 H new ATOM 0 HA LYS A 22 -5.482 -7.921 6.577 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -3.222 -8.746 6.625 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.553 -7.126 6.604 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -3.488 -6.707 8.866 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -4.168 -8.323 8.887 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -2.107 -9.350 9.159 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.240 -8.097 8.294 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.559 -7.547 10.415 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -2.037 -6.607 10.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -1.878 -7.920 12.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -3.198 -8.445 11.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -1.765 -9.356 11.496 1.00 0.00 H new ATOM 323 N THR A 23 -6.364 -5.710 7.338 1.00 0.00 N ATOM 324 CA THR A 23 -6.857 -4.504 7.991 1.00 0.00 C ATOM 325 C THR A 23 -6.176 -4.291 9.339 1.00 0.00 C ATOM 326 O THR A 23 -6.450 -5.005 10.304 1.00 0.00 O ATOM 327 CB THR A 23 -8.381 -4.564 8.203 1.00 0.00 C ATOM 328 OG1 THR A 23 -9.039 -4.825 6.959 1.00 0.00 O ATOM 329 CG2 THR A 23 -8.897 -3.259 8.792 1.00 0.00 C ATOM 0 H THR A 23 -7.089 -6.387 7.099 1.00 0.00 H new ATOM 0 HA THR A 23 -6.621 -3.668 7.332 1.00 0.00 H new ATOM 0 HB THR A 23 -8.597 -5.371 8.903 1.00 0.00 H new ATOM 0 HG1 THR A 23 -10.008 -4.863 7.103 1.00 0.00 H new ATOM 0 HG21 THR A 23 -9.976 -3.325 8.933 1.00 0.00 H new ATOM 0 HG22 THR A 23 -8.416 -3.078 9.753 1.00 0.00 H new ATOM 0 HG23 THR A 23 -8.669 -2.438 8.112 1.00 0.00 H new ATOM 337 N LEU A 24 -5.287 -3.306 9.397 1.00 0.00 N ATOM 338 CA LEU A 24 -4.566 -2.998 10.628 1.00 0.00 C ATOM 339 C LEU A 24 -5.388 -2.077 11.525 1.00 0.00 C ATOM 340 O LEU A 24 -5.301 -2.148 12.751 1.00 0.00 O ATOM 341 CB LEU A 24 -3.221 -2.346 10.305 1.00 0.00 C ATOM 342 CG LEU A 24 -2.228 -3.208 9.525 1.00 0.00 C ATOM 343 CD1 LEU A 24 -1.169 -2.337 8.865 1.00 0.00 C ATOM 344 CD2 LEU A 24 -1.580 -4.236 10.441 1.00 0.00 C ATOM 0 H LEU A 24 -5.048 -2.707 8.607 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.391 -3.933 11.161 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.408 -1.436 9.734 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.752 -2.044 11.241 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.772 -3.739 8.744 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.471 -2.967 8.314 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -1.648 -1.640 8.178 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.628 -1.779 9.630 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.876 -4.841 9.869 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.050 -3.725 11.244 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.349 -4.880 10.867 1.00 0.00 H new ATOM 356 N VAL A 25 -6.188 -1.215 10.904 1.00 0.00 N ATOM 357 CA VAL A 25 -7.029 -0.283 11.646 1.00 0.00 C ATOM 358 C VAL A 25 -8.224 0.163 10.811 1.00 0.00 C ATOM 359 O VAL A 25 -8.094 0.927 9.855 1.00 0.00 O ATOM 360 CB VAL A 25 -6.234 0.960 12.088 1.00 0.00 C ATOM 361 CG1 VAL A 25 -7.139 1.943 12.814 1.00 0.00 C ATOM 362 CG2 VAL A 25 -5.060 0.555 12.967 1.00 0.00 C ATOM 0 H VAL A 25 -6.271 -1.143 9.890 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.384 -0.812 12.530 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.841 1.454 11.199 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -6.559 2.815 13.118 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.943 2.257 12.149 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -7.564 1.464 13.696 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.509 1.445 13.271 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.430 0.038 13.852 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.399 -0.108 12.409 1.00 0.00 H new ATOM 372 N PRO A 26 -9.418 -0.325 11.180 1.00 0.00 N ATOM 373 CA PRO A 26 -10.661 0.011 10.479 1.00 0.00 C ATOM 374 C PRO A 26 -11.076 1.462 10.697 1.00 0.00 C ATOM 375 O PRO A 26 -10.853 2.027 11.767 1.00 0.00 O ATOM 376 CB PRO A 26 -11.687 -0.939 11.102 1.00 0.00 C ATOM 377 CG PRO A 26 -11.143 -1.250 12.453 1.00 0.00 C ATOM 378 CD PRO A 26 -9.647 -1.240 12.310 1.00 0.00 C ATOM 0 HA PRO A 26 -10.562 -0.096 9.399 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -12.670 -0.472 11.169 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -11.804 -1.843 10.504 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -11.470 -0.511 13.185 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -11.495 -2.221 12.801 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -9.159 -0.887 13.218 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -9.256 -2.237 12.105 1.00 0.00 H new ATOM 386 N GLY A 27 -11.682 2.059 9.675 1.00 0.00 N ATOM 387 CA GLY A 27 -12.119 3.440 9.777 1.00 0.00 C ATOM 388 C GLY A 27 -13.518 3.564 10.347 1.00 0.00 C ATOM 389 O GLY A 27 -14.170 2.572 10.671 1.00 0.00 O ATOM 0 H GLY A 27 -11.878 1.612 8.779 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -11.423 3.993 10.408 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -12.090 3.901 8.790 1.00 0.00 H new ATOM 393 N PRO A 28 -13.999 4.810 10.479 1.00 0.00 N ATOM 394 CA PRO A 28 -15.334 5.090 11.016 1.00 0.00 C ATOM 395 C PRO A 28 -16.444 4.657 10.065 1.00 0.00 C ATOM 396 O PRO A 28 -16.214 4.391 8.885 1.00 0.00 O ATOM 397 CB PRO A 28 -15.336 6.612 11.183 1.00 0.00 C ATOM 398 CG PRO A 28 -14.336 7.103 10.194 1.00 0.00 C ATOM 399 CD PRO A 28 -13.276 6.039 10.113 1.00 0.00 C ATOM 0 HA PRO A 28 -15.524 4.545 11.941 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -16.324 7.030 10.988 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -15.063 6.899 12.198 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -14.798 7.268 9.221 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -13.910 8.055 10.510 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -12.850 5.972 9.112 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -12.452 6.240 10.798 1.00 0.00 H new ATOM 407 N PRO A 29 -17.677 4.585 10.587 1.00 0.00 N ATOM 408 CA PRO A 29 -18.848 4.185 9.800 1.00 0.00 C ATOM 409 C PRO A 29 -19.240 5.238 8.769 1.00 0.00 C ATOM 410 O PRO A 29 -20.132 5.017 7.951 1.00 0.00 O ATOM 411 CB PRO A 29 -19.948 4.033 10.854 1.00 0.00 C ATOM 412 CG PRO A 29 -19.527 4.922 11.973 1.00 0.00 C ATOM 413 CD PRO A 29 -18.024 4.888 11.986 1.00 0.00 C ATOM 0 HA PRO A 29 -18.662 3.278 9.224 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -20.919 4.329 10.458 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -20.040 2.998 11.184 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -19.893 5.938 11.823 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -19.933 4.573 12.922 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -17.603 5.841 12.307 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -17.645 4.127 12.668 1.00 0.00 H new ATOM 421 N GLY A 30 -18.567 6.384 8.814 1.00 0.00 N ATOM 422 CA GLY A 30 -18.860 7.453 7.878 1.00 0.00 C ATOM 423 C GLY A 30 -18.030 7.360 6.613 1.00 0.00 C ATOM 424 O GLY A 30 -18.487 7.734 5.533 1.00 0.00 O ATOM 0 H GLY A 30 -17.824 6.591 9.482 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -19.918 7.424 7.618 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -18.677 8.414 8.359 1.00 0.00 H new ATOM 428 N SER A 31 -16.805 6.862 6.746 1.00 0.00 N ATOM 429 CA SER A 31 -15.906 6.726 5.606 1.00 0.00 C ATOM 430 C SER A 31 -16.503 5.799 4.551 1.00 0.00 C ATOM 431 O SER A 31 -17.476 5.091 4.811 1.00 0.00 O ATOM 432 CB SER A 31 -14.547 6.191 6.061 1.00 0.00 C ATOM 433 OG SER A 31 -14.695 5.245 7.105 1.00 0.00 O ATOM 0 H SER A 31 -16.412 6.546 7.633 1.00 0.00 H new ATOM 0 HA SER A 31 -15.770 7.713 5.163 1.00 0.00 H new ATOM 0 HB2 SER A 31 -14.034 5.729 5.218 1.00 0.00 H new ATOM 0 HB3 SER A 31 -13.923 7.017 6.401 1.00 0.00 H new ATOM 0 HG SER A 31 -15.629 4.951 7.150 1.00 0.00 H new ATOM 439 N SER A 32 -15.913 5.810 3.361 1.00 0.00 N ATOM 440 CA SER A 32 -16.388 4.973 2.265 1.00 0.00 C ATOM 441 C SER A 32 -15.340 4.880 1.159 1.00 0.00 C ATOM 442 O SER A 32 -14.692 5.870 0.818 1.00 0.00 O ATOM 443 CB SER A 32 -17.695 5.531 1.698 1.00 0.00 C ATOM 444 OG SER A 32 -17.589 6.922 1.448 1.00 0.00 O ATOM 0 H SER A 32 -15.105 6.389 3.130 1.00 0.00 H new ATOM 0 HA SER A 32 -16.568 3.972 2.657 1.00 0.00 H new ATOM 0 HB2 SER A 32 -17.946 5.010 0.774 1.00 0.00 H new ATOM 0 HB3 SER A 32 -18.508 5.345 2.400 1.00 0.00 H new ATOM 0 HG SER A 32 -18.436 7.255 1.085 1.00 0.00 H new ATOM 450 N ARG A 33 -15.180 3.683 0.604 1.00 0.00 N ATOM 451 CA ARG A 33 -14.211 3.459 -0.462 1.00 0.00 C ATOM 452 C ARG A 33 -14.206 4.625 -1.446 1.00 0.00 C ATOM 453 O ARG A 33 -15.252 5.107 -1.881 1.00 0.00 O ATOM 454 CB ARG A 33 -14.524 2.156 -1.199 1.00 0.00 C ATOM 455 CG ARG A 33 -14.363 0.914 -0.338 1.00 0.00 C ATOM 456 CD ARG A 33 -13.989 -0.299 -1.174 1.00 0.00 C ATOM 457 NE ARG A 33 -14.477 -1.542 -0.583 1.00 0.00 N ATOM 458 CZ ARG A 33 -15.705 -2.013 -0.771 1.00 0.00 C ATOM 459 NH1 ARG A 33 -16.565 -1.347 -1.530 1.00 0.00 N ATOM 460 NH2 ARG A 33 -16.075 -3.152 -0.199 1.00 0.00 N ATOM 0 H ARG A 33 -15.709 2.854 0.875 1.00 0.00 H new ATOM 0 HA ARG A 33 -13.222 3.384 -0.010 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -15.547 2.197 -1.574 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -13.870 2.073 -2.067 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -13.595 1.089 0.415 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -15.293 0.717 0.195 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -14.400 -0.189 -2.177 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -12.905 -0.348 -1.277 1.00 0.00 H new ATOM 0 HE ARG A 33 -13.840 -2.078 0.006 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -16.284 -0.471 -1.971 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -17.507 -1.711 -1.673 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -15.416 -3.667 0.386 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -17.018 -3.513 -0.344 1.00 0.00 H new ATOM 474 N PRO A 34 -13.001 5.091 -1.807 1.00 0.00 N ATOM 475 CA PRO A 34 -12.830 6.205 -2.743 1.00 0.00 C ATOM 476 C PRO A 34 -13.220 5.829 -4.169 1.00 0.00 C ATOM 477 O PRO A 34 -13.832 4.787 -4.401 1.00 0.00 O ATOM 478 CB PRO A 34 -11.333 6.512 -2.661 1.00 0.00 C ATOM 479 CG PRO A 34 -10.707 5.231 -2.227 1.00 0.00 C ATOM 480 CD PRO A 34 -11.711 4.564 -1.328 1.00 0.00 C ATOM 0 HA PRO A 34 -13.467 7.052 -2.488 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -10.942 6.837 -3.625 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -11.131 7.312 -1.949 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -10.472 4.601 -3.085 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -9.771 5.413 -1.699 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -11.665 3.478 -1.410 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -11.540 4.812 -0.280 1.00 0.00 H new ATOM 488 N VAL A 35 -12.861 6.685 -5.121 1.00 0.00 N ATOM 489 CA VAL A 35 -13.172 6.441 -6.524 1.00 0.00 C ATOM 490 C VAL A 35 -11.899 6.318 -7.355 1.00 0.00 C ATOM 491 O VAL A 35 -10.842 6.816 -6.969 1.00 0.00 O ATOM 492 CB VAL A 35 -14.047 7.566 -7.109 1.00 0.00 C ATOM 493 CG1 VAL A 35 -13.446 8.928 -6.795 1.00 0.00 C ATOM 494 CG2 VAL A 35 -14.218 7.382 -8.609 1.00 0.00 C ATOM 0 H VAL A 35 -12.355 7.553 -4.946 1.00 0.00 H new ATOM 0 HA VAL A 35 -13.724 5.502 -6.568 1.00 0.00 H new ATOM 0 HB VAL A 35 -15.032 7.515 -6.645 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -14.078 9.710 -7.216 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -13.381 9.057 -5.715 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -12.448 8.994 -7.229 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -14.839 8.185 -9.006 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -13.241 7.406 -9.092 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -14.697 6.423 -8.806 1.00 0.00 H new ATOM 504 N LYS A 36 -12.009 5.652 -8.500 1.00 0.00 N ATOM 505 CA LYS A 36 -10.869 5.464 -9.389 1.00 0.00 C ATOM 506 C LYS A 36 -10.755 6.618 -10.379 1.00 0.00 C ATOM 507 O LYS A 36 -11.670 6.870 -11.162 1.00 0.00 O ATOM 508 CB LYS A 36 -10.998 4.140 -10.145 1.00 0.00 C ATOM 509 CG LYS A 36 -10.029 4.005 -11.306 1.00 0.00 C ATOM 510 CD LYS A 36 -10.456 2.906 -12.265 1.00 0.00 C ATOM 511 CE LYS A 36 -10.004 3.200 -13.687 1.00 0.00 C ATOM 512 NZ LYS A 36 -10.882 4.203 -14.352 1.00 0.00 N ATOM 0 H LYS A 36 -12.877 5.233 -8.834 1.00 0.00 H new ATOM 0 HA LYS A 36 -9.965 5.441 -8.780 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -10.835 3.317 -9.449 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -12.017 4.043 -10.520 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -9.967 4.952 -11.841 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -9.031 3.789 -10.925 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.037 1.954 -11.939 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -11.541 2.802 -12.241 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.978 3.568 -13.673 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -10.004 2.277 -14.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -10.541 4.376 -15.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -11.857 3.842 -14.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -10.863 5.093 -13.814 1.00 0.00 H new ATOM 526 N GLY A 37 -9.624 7.317 -10.340 1.00 0.00 N ATOM 527 CA GLY A 37 -9.411 8.435 -11.241 1.00 0.00 C ATOM 528 C GLY A 37 -9.223 9.746 -10.503 1.00 0.00 C ATOM 529 O GLY A 37 -9.091 10.800 -11.123 1.00 0.00 O ATOM 0 H GLY A 37 -8.852 7.129 -9.701 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -8.533 8.239 -11.857 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -10.262 8.521 -11.917 1.00 0.00 H new ATOM 533 N GLN A 38 -9.213 9.679 -9.175 1.00 0.00 N ATOM 534 CA GLN A 38 -9.043 10.871 -8.353 1.00 0.00 C ATOM 535 C GLN A 38 -7.690 10.858 -7.649 1.00 0.00 C ATOM 536 O GLN A 38 -6.976 9.855 -7.673 1.00 0.00 O ATOM 537 CB GLN A 38 -10.167 10.970 -7.321 1.00 0.00 C ATOM 538 CG GLN A 38 -11.516 11.328 -7.923 1.00 0.00 C ATOM 539 CD GLN A 38 -12.417 12.055 -6.945 1.00 0.00 C ATOM 540 OE1 GLN A 38 -13.561 11.657 -6.721 1.00 0.00 O ATOM 541 NE2 GLN A 38 -11.906 13.130 -6.356 1.00 0.00 N ATOM 0 H GLN A 38 -9.320 8.813 -8.647 1.00 0.00 H new ATOM 0 HA GLN A 38 -9.083 11.742 -9.008 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.253 10.018 -6.798 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -9.900 11.720 -6.576 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -11.363 11.953 -8.803 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -12.012 10.418 -8.261 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -10.953 13.425 -6.571 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -12.466 13.661 -5.689 1.00 0.00 H new ATOM 550 N VAL A 39 -7.343 11.978 -7.022 1.00 0.00 N ATOM 551 CA VAL A 39 -6.076 12.094 -6.310 1.00 0.00 C ATOM 552 C VAL A 39 -6.171 11.485 -4.916 1.00 0.00 C ATOM 553 O VAL A 39 -6.877 11.998 -4.048 1.00 0.00 O ATOM 554 CB VAL A 39 -5.635 13.565 -6.186 1.00 0.00 C ATOM 555 CG1 VAL A 39 -4.379 13.676 -5.337 1.00 0.00 C ATOM 556 CG2 VAL A 39 -5.414 14.172 -7.563 1.00 0.00 C ATOM 0 H VAL A 39 -7.922 12.818 -6.993 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.334 11.547 -6.892 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.429 14.124 -5.691 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.083 14.722 -5.261 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.577 13.281 -4.340 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.575 13.104 -5.800 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -5.103 15.211 -7.457 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.639 13.613 -8.087 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.342 14.127 -8.133 1.00 0.00 H new ATOM 566 N VAL A 40 -5.454 10.385 -4.707 1.00 0.00 N ATOM 567 CA VAL A 40 -5.455 9.705 -3.417 1.00 0.00 C ATOM 568 C VAL A 40 -4.109 9.851 -2.718 1.00 0.00 C ATOM 569 O VAL A 40 -3.060 9.571 -3.300 1.00 0.00 O ATOM 570 CB VAL A 40 -5.782 8.208 -3.572 1.00 0.00 C ATOM 571 CG1 VAL A 40 -7.280 7.973 -3.457 1.00 0.00 C ATOM 572 CG2 VAL A 40 -5.251 7.682 -4.898 1.00 0.00 C ATOM 0 H VAL A 40 -4.865 9.946 -5.415 1.00 0.00 H new ATOM 0 HA VAL A 40 -6.228 10.177 -2.811 1.00 0.00 H new ATOM 0 HB VAL A 40 -5.291 7.661 -2.767 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -7.491 6.910 -3.569 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -7.627 8.311 -2.481 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -7.797 8.530 -4.239 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -5.491 6.623 -4.991 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -5.712 8.232 -5.718 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.170 7.814 -4.935 1.00 0.00 H new ATOM 582 N THR A 41 -4.144 10.291 -1.463 1.00 0.00 N ATOM 583 CA THR A 41 -2.926 10.474 -0.684 1.00 0.00 C ATOM 584 C THR A 41 -2.869 9.497 0.485 1.00 0.00 C ATOM 585 O THR A 41 -3.709 9.539 1.384 1.00 0.00 O ATOM 586 CB THR A 41 -2.818 11.912 -0.142 1.00 0.00 C ATOM 587 OG1 THR A 41 -3.175 12.849 -1.164 1.00 0.00 O ATOM 588 CG2 THR A 41 -1.407 12.201 0.348 1.00 0.00 C ATOM 0 H THR A 41 -5.003 10.527 -0.965 1.00 0.00 H new ATOM 0 HA THR A 41 -2.089 10.282 -1.355 1.00 0.00 H new ATOM 0 HB THR A 41 -3.505 12.013 0.698 1.00 0.00 H new ATOM 0 HG1 THR A 41 -3.105 13.761 -0.811 1.00 0.00 H new ATOM 0 HG21 THR A 41 -1.355 13.222 0.726 1.00 0.00 H new ATOM 0 HG22 THR A 41 -1.149 11.505 1.146 1.00 0.00 H new ATOM 0 HG23 THR A 41 -0.704 12.083 -0.477 1.00 0.00 H new ATOM 596 N VAL A 42 -1.872 8.618 0.467 1.00 0.00 N ATOM 597 CA VAL A 42 -1.705 7.631 1.527 1.00 0.00 C ATOM 598 C VAL A 42 -0.253 7.561 1.988 1.00 0.00 C ATOM 599 O VAL A 42 0.611 8.263 1.462 1.00 0.00 O ATOM 600 CB VAL A 42 -2.153 6.231 1.066 1.00 0.00 C ATOM 601 CG1 VAL A 42 -3.395 6.328 0.193 1.00 0.00 C ATOM 602 CG2 VAL A 42 -1.025 5.528 0.326 1.00 0.00 C ATOM 0 H VAL A 42 -1.168 8.569 -0.270 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.333 7.950 2.359 1.00 0.00 H new ATOM 0 HB VAL A 42 -2.403 5.640 1.947 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.696 5.329 -0.123 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.204 6.789 0.761 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.176 6.936 -0.685 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -1.359 4.540 0.007 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -0.742 6.115 -0.548 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.165 5.424 0.988 1.00 0.00 H new ATOM 612 N HIS A 43 0.008 6.710 2.975 1.00 0.00 N ATOM 613 CA HIS A 43 1.356 6.548 3.508 1.00 0.00 C ATOM 614 C HIS A 43 1.871 5.133 3.261 1.00 0.00 C ATOM 615 O HIS A 43 1.523 4.199 3.985 1.00 0.00 O ATOM 616 CB HIS A 43 1.376 6.856 5.006 1.00 0.00 C ATOM 617 CG HIS A 43 2.754 6.896 5.590 1.00 0.00 C ATOM 618 ND1 HIS A 43 3.077 7.640 6.706 1.00 0.00 N ATOM 619 CD2 HIS A 43 3.896 6.277 5.210 1.00 0.00 C ATOM 620 CE1 HIS A 43 4.358 7.479 6.984 1.00 0.00 C ATOM 621 NE2 HIS A 43 4.878 6.656 6.092 1.00 0.00 N ATOM 0 H HIS A 43 -0.696 6.122 3.422 1.00 0.00 H new ATOM 0 HA HIS A 43 2.011 7.250 2.992 1.00 0.00 H new ATOM 0 HB2 HIS A 43 0.889 7.816 5.178 1.00 0.00 H new ATOM 0 HB3 HIS A 43 0.789 6.103 5.531 1.00 0.00 H new ATOM 0 HD1 HIS A 43 2.428 8.223 7.234 1.00 0.00 H new ATOM 0 HD2 HIS A 43 4.013 5.609 4.369 1.00 0.00 H new ATOM 0 HE1 HIS A 43 4.890 7.942 7.802 1.00 0.00 H new ATOM 630 N LEU A 44 2.701 4.982 2.235 1.00 0.00 N ATOM 631 CA LEU A 44 3.264 3.680 1.892 1.00 0.00 C ATOM 632 C LEU A 44 4.711 3.571 2.363 1.00 0.00 C ATOM 633 O LEU A 44 5.500 4.501 2.195 1.00 0.00 O ATOM 634 CB LEU A 44 3.190 3.453 0.381 1.00 0.00 C ATOM 635 CG LEU A 44 4.322 2.628 -0.230 1.00 0.00 C ATOM 636 CD1 LEU A 44 5.620 3.421 -0.231 1.00 0.00 C ATOM 637 CD2 LEU A 44 4.496 1.318 0.525 1.00 0.00 C ATOM 0 H LEU A 44 2.999 5.744 1.626 1.00 0.00 H new ATOM 0 HA LEU A 44 2.678 2.913 2.398 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.245 2.960 0.154 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.169 4.425 -0.112 1.00 0.00 H new ATOM 0 HG LEU A 44 4.060 2.397 -1.263 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.415 2.818 -0.670 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.490 4.331 -0.817 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.887 3.683 0.793 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.306 0.744 0.076 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.735 1.528 1.568 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.572 0.743 0.473 1.00 0.00 H new ATOM 649 N GLN A 45 5.051 2.430 2.952 1.00 0.00 N ATOM 650 CA GLN A 45 6.403 2.199 3.446 1.00 0.00 C ATOM 651 C GLN A 45 6.871 0.786 3.113 1.00 0.00 C ATOM 652 O GLN A 45 6.330 -0.196 3.622 1.00 0.00 O ATOM 653 CB GLN A 45 6.462 2.425 4.958 1.00 0.00 C ATOM 654 CG GLN A 45 6.368 3.888 5.359 1.00 0.00 C ATOM 655 CD GLN A 45 6.804 4.131 6.790 1.00 0.00 C ATOM 656 OE1 GLN A 45 5.990 4.463 7.652 1.00 0.00 O ATOM 657 NE2 GLN A 45 8.096 3.966 7.052 1.00 0.00 N ATOM 0 H GLN A 45 4.409 1.651 3.099 1.00 0.00 H new ATOM 0 HA GLN A 45 7.068 2.908 2.953 1.00 0.00 H new ATOM 0 HB2 GLN A 45 5.649 1.874 5.431 1.00 0.00 H new ATOM 0 HB3 GLN A 45 7.394 2.011 5.343 1.00 0.00 H new ATOM 0 HG2 GLN A 45 6.987 4.485 4.689 1.00 0.00 H new ATOM 0 HG3 GLN A 45 5.341 4.230 5.233 1.00 0.00 H new ATOM 0 HE21 GLN A 45 8.736 3.690 6.307 1.00 0.00 H new ATOM 0 HE22 GLN A 45 8.448 4.115 7.998 1.00 0.00 H new ATOM 666 N THR A 46 7.881 0.690 2.254 1.00 0.00 N ATOM 667 CA THR A 46 8.421 -0.602 1.851 1.00 0.00 C ATOM 668 C THR A 46 9.516 -1.063 2.806 1.00 0.00 C ATOM 669 O THR A 46 10.412 -0.294 3.154 1.00 0.00 O ATOM 670 CB THR A 46 8.991 -0.552 0.420 1.00 0.00 C ATOM 671 OG1 THR A 46 7.993 -0.072 -0.488 1.00 0.00 O ATOM 672 CG2 THR A 46 9.466 -1.928 -0.022 1.00 0.00 C ATOM 0 H THR A 46 8.341 1.492 1.824 1.00 0.00 H new ATOM 0 HA THR A 46 7.595 -1.312 1.880 1.00 0.00 H new ATOM 0 HB THR A 46 9.843 0.128 0.416 1.00 0.00 H new ATOM 0 HG1 THR A 46 8.363 -0.041 -1.395 1.00 0.00 H new ATOM 0 HG21 THR A 46 9.864 -1.867 -1.035 1.00 0.00 H new ATOM 0 HG22 THR A 46 10.246 -2.278 0.654 1.00 0.00 H new ATOM 0 HG23 THR A 46 8.629 -2.626 -0.002 1.00 0.00 H new ATOM 680 N SER A 47 9.439 -2.322 3.225 1.00 0.00 N ATOM 681 CA SER A 47 10.423 -2.883 4.143 1.00 0.00 C ATOM 682 C SER A 47 10.613 -4.376 3.889 1.00 0.00 C ATOM 683 O SER A 47 9.646 -5.136 3.830 1.00 0.00 O ATOM 684 CB SER A 47 9.989 -2.653 5.592 1.00 0.00 C ATOM 685 OG SER A 47 9.535 -1.324 5.784 1.00 0.00 O ATOM 0 H SER A 47 8.706 -2.973 2.943 1.00 0.00 H new ATOM 0 HA SER A 47 11.374 -2.378 3.971 1.00 0.00 H new ATOM 0 HB2 SER A 47 9.195 -3.353 5.853 1.00 0.00 H new ATOM 0 HB3 SER A 47 10.825 -2.855 6.262 1.00 0.00 H new ATOM 0 HG SER A 47 9.262 -1.203 6.717 1.00 0.00 H new ATOM 691 N LEU A 48 11.867 -4.788 3.738 1.00 0.00 N ATOM 692 CA LEU A 48 12.187 -6.189 3.489 1.00 0.00 C ATOM 693 C LEU A 48 11.507 -7.093 4.513 1.00 0.00 C ATOM 694 O LEU A 48 11.389 -6.739 5.685 1.00 0.00 O ATOM 695 CB LEU A 48 13.701 -6.402 3.530 1.00 0.00 C ATOM 696 CG LEU A 48 14.437 -6.247 2.199 1.00 0.00 C ATOM 697 CD1 LEU A 48 14.061 -7.372 1.247 1.00 0.00 C ATOM 698 CD2 LEU A 48 14.131 -4.894 1.575 1.00 0.00 C ATOM 0 H LEU A 48 12.679 -4.172 3.784 1.00 0.00 H new ATOM 0 HA LEU A 48 11.816 -6.450 2.498 1.00 0.00 H new ATOM 0 HB2 LEU A 48 14.128 -5.696 4.243 1.00 0.00 H new ATOM 0 HB3 LEU A 48 13.897 -7.402 3.916 1.00 0.00 H new ATOM 0 HG LEU A 48 15.509 -6.303 2.390 1.00 0.00 H new ATOM 0 HD11 LEU A 48 14.594 -7.245 0.305 1.00 0.00 H new ATOM 0 HD12 LEU A 48 14.332 -8.330 1.691 1.00 0.00 H new ATOM 0 HD13 LEU A 48 12.987 -7.348 1.062 1.00 0.00 H new ATOM 0 HD21 LEU A 48 14.663 -4.801 0.628 1.00 0.00 H new ATOM 0 HD22 LEU A 48 13.059 -4.809 1.398 1.00 0.00 H new ATOM 0 HD23 LEU A 48 14.451 -4.101 2.251 1.00 0.00 H new ATOM 710 N GLU A 49 11.063 -8.262 4.061 1.00 0.00 N ATOM 711 CA GLU A 49 10.396 -9.216 4.938 1.00 0.00 C ATOM 712 C GLU A 49 11.101 -9.298 6.289 1.00 0.00 C ATOM 713 O GLU A 49 10.494 -9.654 7.298 1.00 0.00 O ATOM 714 CB GLU A 49 10.356 -10.600 4.287 1.00 0.00 C ATOM 715 CG GLU A 49 9.672 -11.655 5.141 1.00 0.00 C ATOM 716 CD GLU A 49 8.272 -11.250 5.558 1.00 0.00 C ATOM 717 OE1 GLU A 49 7.323 -11.513 4.790 1.00 0.00 O ATOM 718 OE2 GLU A 49 8.125 -10.669 6.654 1.00 0.00 O ATOM 0 H GLU A 49 11.153 -8.570 3.093 1.00 0.00 H new ATOM 0 HA GLU A 49 9.375 -8.869 5.100 1.00 0.00 H new ATOM 0 HB2 GLU A 49 9.838 -10.527 3.330 1.00 0.00 H new ATOM 0 HB3 GLU A 49 11.375 -10.922 4.074 1.00 0.00 H new ATOM 0 HG2 GLU A 49 9.625 -12.592 4.586 1.00 0.00 H new ATOM 0 HG3 GLU A 49 10.273 -11.842 6.031 1.00 0.00 H new ATOM 725 N ASN A 50 12.388 -8.965 6.299 1.00 0.00 N ATOM 726 CA ASN A 50 13.178 -9.002 7.525 1.00 0.00 C ATOM 727 C ASN A 50 12.942 -7.748 8.361 1.00 0.00 C ATOM 728 O ASN A 50 12.717 -7.827 9.568 1.00 0.00 O ATOM 729 CB ASN A 50 14.666 -9.136 7.194 1.00 0.00 C ATOM 730 CG ASN A 50 14.940 -10.254 6.207 1.00 0.00 C ATOM 731 OD1 ASN A 50 15.069 -11.417 6.590 1.00 0.00 O ATOM 732 ND2 ASN A 50 15.030 -9.906 4.929 1.00 0.00 N ATOM 0 H ASN A 50 12.906 -8.667 5.472 1.00 0.00 H new ATOM 0 HA ASN A 50 12.863 -9.869 8.105 1.00 0.00 H new ATOM 0 HB2 ASN A 50 15.030 -8.195 6.783 1.00 0.00 H new ATOM 0 HB3 ASN A 50 15.224 -9.320 8.112 1.00 0.00 H new ATOM 0 HD21 ASN A 50 15.213 -10.615 4.219 1.00 0.00 H new ATOM 0 HD22 ASN A 50 14.916 -8.930 4.657 1.00 0.00 H new ATOM 739 N GLY A 51 12.996 -6.590 7.710 1.00 0.00 N ATOM 740 CA GLY A 51 12.787 -5.335 8.408 1.00 0.00 C ATOM 741 C GLY A 51 13.772 -4.264 7.985 1.00 0.00 C ATOM 742 O GLY A 51 14.279 -3.511 8.817 1.00 0.00 O ATOM 0 H GLY A 51 13.181 -6.499 6.711 1.00 0.00 H new ATOM 0 HA2 GLY A 51 11.772 -4.984 8.222 1.00 0.00 H new ATOM 0 HA3 GLY A 51 12.875 -5.501 9.482 1.00 0.00 H new ATOM 746 N THR A 52 14.045 -4.194 6.685 1.00 0.00 N ATOM 747 CA THR A 52 14.978 -3.209 6.153 1.00 0.00 C ATOM 748 C THR A 52 14.262 -2.195 5.269 1.00 0.00 C ATOM 749 O THR A 52 14.127 -2.395 4.061 1.00 0.00 O ATOM 750 CB THR A 52 16.100 -3.881 5.338 1.00 0.00 C ATOM 751 OG1 THR A 52 16.793 -4.834 6.152 1.00 0.00 O ATOM 752 CG2 THR A 52 17.082 -2.845 4.813 1.00 0.00 C ATOM 0 H THR A 52 13.633 -4.808 5.982 1.00 0.00 H new ATOM 0 HA THR A 52 15.417 -2.696 7.008 1.00 0.00 H new ATOM 0 HB THR A 52 15.646 -4.391 4.488 1.00 0.00 H new ATOM 0 HG1 THR A 52 17.503 -5.258 5.626 1.00 0.00 H new ATOM 0 HG21 THR A 52 17.865 -3.343 4.241 1.00 0.00 H new ATOM 0 HG22 THR A 52 16.557 -2.138 4.170 1.00 0.00 H new ATOM 0 HG23 THR A 52 17.529 -2.310 5.651 1.00 0.00 H new ATOM 760 N ARG A 53 13.804 -1.106 5.877 1.00 0.00 N ATOM 761 CA ARG A 53 13.101 -0.060 5.145 1.00 0.00 C ATOM 762 C ARG A 53 13.820 0.267 3.839 1.00 0.00 C ATOM 763 O ARG A 53 14.998 0.624 3.840 1.00 0.00 O ATOM 764 CB ARG A 53 12.980 1.200 6.003 1.00 0.00 C ATOM 765 CG ARG A 53 11.767 1.200 6.919 1.00 0.00 C ATOM 766 CD ARG A 53 11.262 2.611 7.176 1.00 0.00 C ATOM 767 NE ARG A 53 10.609 2.730 8.477 1.00 0.00 N ATOM 768 CZ ARG A 53 11.270 2.851 9.623 1.00 0.00 C ATOM 769 NH1 ARG A 53 12.596 2.869 9.629 1.00 0.00 N ATOM 770 NH2 ARG A 53 10.605 2.954 10.766 1.00 0.00 N ATOM 0 H ARG A 53 13.907 -0.925 6.875 1.00 0.00 H new ATOM 0 HA ARG A 53 12.102 -0.426 4.908 1.00 0.00 H new ATOM 0 HB2 ARG A 53 13.881 1.305 6.607 1.00 0.00 H new ATOM 0 HB3 ARG A 53 12.931 2.071 5.349 1.00 0.00 H new ATOM 0 HG2 ARG A 53 10.972 0.604 6.471 1.00 0.00 H new ATOM 0 HG3 ARG A 53 12.025 0.727 7.866 1.00 0.00 H new ATOM 0 HD2 ARG A 53 12.097 3.310 7.124 1.00 0.00 H new ATOM 0 HD3 ARG A 53 10.560 2.894 6.391 1.00 0.00 H new ATOM 0 HE ARG A 53 9.590 2.720 8.507 1.00 0.00 H new ATOM 0 HH11 ARG A 53 13.111 2.790 8.752 1.00 0.00 H new ATOM 0 HH12 ARG A 53 13.101 2.962 10.510 1.00 0.00 H new ATOM 0 HH21 ARG A 53 9.585 2.940 10.766 1.00 0.00 H new ATOM 0 HH22 ARG A 53 11.114 3.047 11.645 1.00 0.00 H new ATOM 784 N VAL A 54 13.103 0.143 2.727 1.00 0.00 N ATOM 785 CA VAL A 54 13.672 0.426 1.415 1.00 0.00 C ATOM 786 C VAL A 54 13.133 1.737 0.853 1.00 0.00 C ATOM 787 O VAL A 54 13.892 2.568 0.355 1.00 0.00 O ATOM 788 CB VAL A 54 13.374 -0.709 0.417 1.00 0.00 C ATOM 789 CG1 VAL A 54 13.960 -0.386 -0.949 1.00 0.00 C ATOM 790 CG2 VAL A 54 13.913 -2.032 0.939 1.00 0.00 C ATOM 0 H VAL A 54 12.127 -0.152 2.709 1.00 0.00 H new ATOM 0 HA VAL A 54 14.751 0.508 1.549 1.00 0.00 H new ATOM 0 HB VAL A 54 12.293 -0.801 0.309 1.00 0.00 H new ATOM 0 HG11 VAL A 54 13.740 -1.199 -1.641 1.00 0.00 H new ATOM 0 HG12 VAL A 54 13.521 0.539 -1.324 1.00 0.00 H new ATOM 0 HG13 VAL A 54 15.040 -0.266 -0.862 1.00 0.00 H new ATOM 0 HG21 VAL A 54 13.694 -2.823 0.222 1.00 0.00 H new ATOM 0 HG22 VAL A 54 14.992 -1.956 1.077 1.00 0.00 H new ATOM 0 HG23 VAL A 54 13.441 -2.266 1.893 1.00 0.00 H new ATOM 800 N GLN A 55 11.819 1.915 0.938 1.00 0.00 N ATOM 801 CA GLN A 55 11.178 3.125 0.438 1.00 0.00 C ATOM 802 C GLN A 55 10.325 3.777 1.521 1.00 0.00 C ATOM 803 O GLN A 55 9.338 3.202 1.977 1.00 0.00 O ATOM 804 CB GLN A 55 10.314 2.803 -0.783 1.00 0.00 C ATOM 805 CG GLN A 55 11.047 2.961 -2.105 1.00 0.00 C ATOM 806 CD GLN A 55 11.296 4.413 -2.464 1.00 0.00 C ATOM 807 OE1 GLN A 55 12.407 4.922 -2.307 1.00 0.00 O ATOM 808 NE2 GLN A 55 10.262 5.089 -2.950 1.00 0.00 N ATOM 0 H GLN A 55 11.177 1.237 1.348 1.00 0.00 H new ATOM 0 HA GLN A 55 11.960 3.826 0.146 1.00 0.00 H new ATOM 0 HB2 GLN A 55 9.949 1.779 -0.700 1.00 0.00 H new ATOM 0 HB3 GLN A 55 9.440 3.454 -0.781 1.00 0.00 H new ATOM 0 HG2 GLN A 55 12.000 2.435 -2.053 1.00 0.00 H new ATOM 0 HG3 GLN A 55 10.466 2.489 -2.897 1.00 0.00 H new ATOM 0 HE21 GLN A 55 9.359 4.628 -3.064 1.00 0.00 H new ATOM 0 HE22 GLN A 55 10.370 6.069 -3.210 1.00 0.00 H new ATOM 817 N GLU A 56 10.714 4.981 1.929 1.00 0.00 N ATOM 818 CA GLU A 56 9.985 5.710 2.960 1.00 0.00 C ATOM 819 C GLU A 56 9.285 6.931 2.371 1.00 0.00 C ATOM 820 O GLU A 56 9.910 7.965 2.136 1.00 0.00 O ATOM 821 CB GLU A 56 10.936 6.144 4.078 1.00 0.00 C ATOM 822 CG GLU A 56 10.271 6.998 5.145 1.00 0.00 C ATOM 823 CD GLU A 56 10.994 6.936 6.476 1.00 0.00 C ATOM 824 OE1 GLU A 56 12.238 7.048 6.482 1.00 0.00 O ATOM 825 OE2 GLU A 56 10.315 6.776 7.512 1.00 0.00 O ATOM 0 H GLU A 56 11.529 5.472 1.562 1.00 0.00 H new ATOM 0 HA GLU A 56 9.229 5.043 3.374 1.00 0.00 H new ATOM 0 HB2 GLU A 56 11.361 5.257 4.547 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.765 6.702 3.642 1.00 0.00 H new ATOM 0 HG2 GLU A 56 10.232 8.033 4.805 1.00 0.00 H new ATOM 0 HG3 GLU A 56 9.241 6.668 5.280 1.00 0.00 H new ATOM 832 N GLU A 57 7.983 6.802 2.134 1.00 0.00 N ATOM 833 CA GLU A 57 7.198 7.895 1.571 1.00 0.00 C ATOM 834 C GLU A 57 5.990 8.206 2.449 1.00 0.00 C ATOM 835 O GLU A 57 4.983 7.497 2.437 1.00 0.00 O ATOM 836 CB GLU A 57 6.736 7.543 0.155 1.00 0.00 C ATOM 837 CG GLU A 57 6.592 8.751 -0.756 1.00 0.00 C ATOM 838 CD GLU A 57 7.898 9.500 -0.942 1.00 0.00 C ATOM 839 OE1 GLU A 57 8.868 8.886 -1.435 1.00 0.00 O ATOM 840 OE2 GLU A 57 7.950 10.698 -0.595 1.00 0.00 O ATOM 0 H GLU A 57 7.450 5.953 2.323 1.00 0.00 H new ATOM 0 HA GLU A 57 7.832 8.780 1.529 1.00 0.00 H new ATOM 0 HB2 GLU A 57 7.448 6.847 -0.288 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.778 7.025 0.212 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.222 8.426 -1.728 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.845 9.428 -0.341 1.00 0.00 H new ATOM 847 N PRO A 58 6.091 9.291 3.231 1.00 0.00 N ATOM 848 CA PRO A 58 5.016 9.721 4.131 1.00 0.00 C ATOM 849 C PRO A 58 3.807 10.259 3.374 1.00 0.00 C ATOM 850 O PRO A 58 2.673 9.856 3.632 1.00 0.00 O ATOM 851 CB PRO A 58 5.669 10.833 4.956 1.00 0.00 C ATOM 852 CG PRO A 58 6.760 11.358 4.089 1.00 0.00 C ATOM 853 CD PRO A 58 7.262 10.181 3.297 1.00 0.00 C ATOM 0 HA PRO A 58 4.631 8.896 4.731 1.00 0.00 H new ATOM 0 HB2 PRO A 58 4.951 11.614 5.205 1.00 0.00 H new ATOM 0 HB3 PRO A 58 6.062 10.449 5.897 1.00 0.00 H new ATOM 0 HG2 PRO A 58 6.391 12.143 3.429 1.00 0.00 H new ATOM 0 HG3 PRO A 58 7.559 11.795 4.688 1.00 0.00 H new ATOM 0 HD2 PRO A 58 7.597 10.479 2.303 1.00 0.00 H new ATOM 0 HD3 PRO A 58 8.107 9.698 3.787 1.00 0.00 H new ATOM 861 N GLU A 59 4.057 11.170 2.439 1.00 0.00 N ATOM 862 CA GLU A 59 2.987 11.762 1.645 1.00 0.00 C ATOM 863 C GLU A 59 2.995 11.210 0.223 1.00 0.00 C ATOM 864 O GLU A 59 3.488 11.855 -0.703 1.00 0.00 O ATOM 865 CB GLU A 59 3.128 13.286 1.614 1.00 0.00 C ATOM 866 CG GLU A 59 2.011 13.985 0.858 1.00 0.00 C ATOM 867 CD GLU A 59 2.037 15.490 1.040 1.00 0.00 C ATOM 868 OE1 GLU A 59 3.076 16.107 0.725 1.00 0.00 O ATOM 869 OE2 GLU A 59 1.019 16.051 1.498 1.00 0.00 O ATOM 0 H GLU A 59 4.990 11.514 2.213 1.00 0.00 H new ATOM 0 HA GLU A 59 2.037 11.502 2.111 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.153 13.661 2.637 1.00 0.00 H new ATOM 0 HB3 GLU A 59 4.083 13.545 1.156 1.00 0.00 H new ATOM 0 HG2 GLU A 59 2.093 13.750 -0.203 1.00 0.00 H new ATOM 0 HG3 GLU A 59 1.050 13.598 1.197 1.00 0.00 H new ATOM 876 N LEU A 60 2.446 10.012 0.056 1.00 0.00 N ATOM 877 CA LEU A 60 2.389 9.371 -1.253 1.00 0.00 C ATOM 878 C LEU A 60 1.096 9.729 -1.979 1.00 0.00 C ATOM 879 O LEU A 60 0.001 9.527 -1.454 1.00 0.00 O ATOM 880 CB LEU A 60 2.501 7.853 -1.105 1.00 0.00 C ATOM 881 CG LEU A 60 2.191 7.031 -2.357 1.00 0.00 C ATOM 882 CD1 LEU A 60 0.698 7.039 -2.644 1.00 0.00 C ATOM 883 CD2 LEU A 60 2.969 7.566 -3.551 1.00 0.00 C ATOM 0 H LEU A 60 2.034 9.464 0.811 1.00 0.00 H new ATOM 0 HA LEU A 60 3.229 9.735 -1.845 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.513 7.614 -0.779 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.827 7.535 -0.310 1.00 0.00 H new ATOM 0 HG LEU A 60 2.500 6.001 -2.179 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.496 6.449 -3.538 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.162 6.609 -1.797 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.363 8.064 -2.802 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.737 6.970 -4.433 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.690 8.604 -3.731 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.038 7.508 -3.345 1.00 0.00 H new ATOM 895 N VAL A 61 1.231 10.259 -3.190 1.00 0.00 N ATOM 896 CA VAL A 61 0.074 10.642 -3.991 1.00 0.00 C ATOM 897 C VAL A 61 0.141 10.026 -5.384 1.00 0.00 C ATOM 898 O VAL A 61 1.225 9.813 -5.928 1.00 0.00 O ATOM 899 CB VAL A 61 -0.036 12.172 -4.123 1.00 0.00 C ATOM 900 CG1 VAL A 61 1.217 12.744 -4.769 1.00 0.00 C ATOM 901 CG2 VAL A 61 -1.276 12.550 -4.918 1.00 0.00 C ATOM 0 H VAL A 61 2.130 10.433 -3.638 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.808 10.265 -3.473 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.128 12.600 -3.125 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.121 13.826 -4.854 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.085 12.504 -4.155 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.344 12.312 -5.762 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.338 13.635 -5.001 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.217 12.112 -5.914 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.163 12.174 -4.409 1.00 0.00 H new ATOM 911 N PHE A 62 -1.024 9.742 -5.956 1.00 0.00 N ATOM 912 CA PHE A 62 -1.098 9.150 -7.287 1.00 0.00 C ATOM 913 C PHE A 62 -2.525 9.199 -7.825 1.00 0.00 C ATOM 914 O PHE A 62 -3.454 9.596 -7.121 1.00 0.00 O ATOM 915 CB PHE A 62 -0.602 7.703 -7.252 1.00 0.00 C ATOM 916 CG PHE A 62 -1.495 6.782 -6.471 1.00 0.00 C ATOM 917 CD1 PHE A 62 -2.760 6.462 -6.937 1.00 0.00 C ATOM 918 CD2 PHE A 62 -1.070 6.237 -5.270 1.00 0.00 C ATOM 919 CE1 PHE A 62 -3.584 5.615 -6.219 1.00 0.00 C ATOM 920 CE2 PHE A 62 -1.889 5.389 -4.548 1.00 0.00 C ATOM 921 CZ PHE A 62 -3.148 5.078 -5.024 1.00 0.00 C ATOM 0 H PHE A 62 -1.930 9.912 -5.519 1.00 0.00 H new ATOM 0 HA PHE A 62 -0.458 9.730 -7.952 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -0.515 7.332 -8.273 1.00 0.00 H new ATOM 0 HB3 PHE A 62 0.398 7.680 -6.819 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -3.106 6.879 -7.871 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -0.087 6.478 -4.893 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -4.568 5.374 -6.593 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -1.545 4.970 -3.614 1.00 0.00 H new ATOM 0 HZ PHE A 62 -3.790 4.416 -4.462 1.00 0.00 H new ATOM 931 N THR A 63 -2.692 8.792 -9.079 1.00 0.00 N ATOM 932 CA THR A 63 -4.004 8.790 -9.714 1.00 0.00 C ATOM 933 C THR A 63 -4.553 7.373 -9.838 1.00 0.00 C ATOM 934 O THR A 63 -4.189 6.633 -10.753 1.00 0.00 O ATOM 935 CB THR A 63 -3.952 9.432 -11.113 1.00 0.00 C ATOM 936 OG1 THR A 63 -3.488 10.783 -11.015 1.00 0.00 O ATOM 937 CG2 THR A 63 -5.324 9.409 -11.770 1.00 0.00 C ATOM 0 H THR A 63 -1.934 8.459 -9.676 1.00 0.00 H new ATOM 0 HA THR A 63 -4.664 9.378 -9.077 1.00 0.00 H new ATOM 0 HB THR A 63 -3.262 8.855 -11.728 1.00 0.00 H new ATOM 0 HG1 THR A 63 -3.456 11.184 -11.909 1.00 0.00 H new ATOM 0 HG21 THR A 63 -5.263 9.868 -12.757 1.00 0.00 H new ATOM 0 HG22 THR A 63 -5.662 8.378 -11.870 1.00 0.00 H new ATOM 0 HG23 THR A 63 -6.031 9.965 -11.155 1.00 0.00 H new ATOM 945 N LEU A 64 -5.430 7.001 -8.913 1.00 0.00 N ATOM 946 CA LEU A 64 -6.031 5.671 -8.919 1.00 0.00 C ATOM 947 C LEU A 64 -6.550 5.315 -10.308 1.00 0.00 C ATOM 948 O LEU A 64 -7.189 6.131 -10.971 1.00 0.00 O ATOM 949 CB LEU A 64 -7.171 5.600 -7.901 1.00 0.00 C ATOM 950 CG LEU A 64 -7.720 4.204 -7.605 1.00 0.00 C ATOM 951 CD1 LEU A 64 -6.630 3.311 -7.034 1.00 0.00 C ATOM 952 CD2 LEU A 64 -8.900 4.288 -6.648 1.00 0.00 C ATOM 0 H LEU A 64 -5.741 7.601 -8.149 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.262 4.950 -8.643 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.824 6.038 -6.965 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -7.991 6.223 -8.259 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.067 3.765 -8.540 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.040 2.322 -6.830 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -5.816 3.225 -7.754 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.252 3.745 -6.109 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -9.278 3.286 -6.448 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -8.578 4.748 -5.713 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -9.690 4.891 -7.096 1.00 0.00 H new ATOM 964 N GLY A 65 -6.274 4.089 -10.741 1.00 0.00 N ATOM 965 CA GLY A 65 -6.722 3.645 -12.048 1.00 0.00 C ATOM 966 C GLY A 65 -5.588 3.547 -13.048 1.00 0.00 C ATOM 967 O GLY A 65 -5.601 2.688 -13.930 1.00 0.00 O ATOM 0 H GLY A 65 -5.748 3.395 -10.210 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -7.203 2.671 -11.952 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -7.475 4.337 -12.425 1.00 0.00 H new ATOM 971 N ASP A 66 -4.604 4.429 -12.913 1.00 0.00 N ATOM 972 CA ASP A 66 -3.456 4.439 -13.813 1.00 0.00 C ATOM 973 C ASP A 66 -2.378 3.475 -13.328 1.00 0.00 C ATOM 974 O ASP A 66 -1.486 3.094 -14.087 1.00 0.00 O ATOM 975 CB ASP A 66 -2.882 5.852 -13.926 1.00 0.00 C ATOM 976 CG ASP A 66 -2.185 6.089 -15.251 1.00 0.00 C ATOM 977 OD1 ASP A 66 -1.367 5.234 -15.652 1.00 0.00 O ATOM 978 OD2 ASP A 66 -2.455 7.129 -15.887 1.00 0.00 O ATOM 0 H ASP A 66 -4.578 5.147 -12.189 1.00 0.00 H new ATOM 0 HA ASP A 66 -3.793 4.113 -14.797 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.686 6.578 -13.807 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.177 6.021 -13.112 1.00 0.00 H new ATOM 983 N CYS A 67 -2.465 3.087 -12.061 1.00 0.00 N ATOM 984 CA CYS A 67 -1.495 2.169 -11.474 1.00 0.00 C ATOM 985 C CYS A 67 -0.088 2.757 -11.528 1.00 0.00 C ATOM 986 O CYS A 67 0.857 2.093 -11.954 1.00 0.00 O ATOM 987 CB CYS A 67 -1.527 0.825 -12.203 1.00 0.00 C ATOM 988 SG CYS A 67 -3.160 0.050 -12.250 1.00 0.00 S ATOM 0 H CYS A 67 -3.197 3.393 -11.420 1.00 0.00 H new ATOM 0 HA CYS A 67 -1.765 2.014 -10.429 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -1.176 0.969 -13.225 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -0.827 0.144 -11.718 1.00 0.00 H new ATOM 0 HG CYS A 67 -3.086 -1.080 -12.889 1.00 0.00 H new ATOM 994 N ASP A 68 0.042 4.006 -11.095 1.00 0.00 N ATOM 995 CA ASP A 68 1.333 4.684 -11.094 1.00 0.00 C ATOM 996 C ASP A 68 2.210 4.182 -9.951 1.00 0.00 C ATOM 997 O ASP A 68 3.436 4.269 -10.011 1.00 0.00 O ATOM 998 CB ASP A 68 1.138 6.197 -10.978 1.00 0.00 C ATOM 999 CG ASP A 68 0.963 6.863 -12.328 1.00 0.00 C ATOM 1000 OD1 ASP A 68 0.619 6.156 -13.298 1.00 0.00 O ATOM 1001 OD2 ASP A 68 1.171 8.092 -12.415 1.00 0.00 O ATOM 0 H ASP A 68 -0.731 4.570 -10.740 1.00 0.00 H new ATOM 0 HA ASP A 68 1.834 4.461 -12.036 1.00 0.00 H new ATOM 0 HB2 ASP A 68 0.264 6.401 -10.359 1.00 0.00 H new ATOM 0 HB3 ASP A 68 1.998 6.633 -10.470 1.00 0.00 H new ATOM 1006 N VAL A 69 1.572 3.657 -8.909 1.00 0.00 N ATOM 1007 CA VAL A 69 2.294 3.141 -7.752 1.00 0.00 C ATOM 1008 C VAL A 69 2.387 1.620 -7.795 1.00 0.00 C ATOM 1009 O VAL A 69 1.944 0.989 -8.755 1.00 0.00 O ATOM 1010 CB VAL A 69 1.618 3.566 -6.434 1.00 0.00 C ATOM 1011 CG1 VAL A 69 1.757 5.066 -6.222 1.00 0.00 C ATOM 1012 CG2 VAL A 69 0.155 3.152 -6.429 1.00 0.00 C ATOM 0 H VAL A 69 0.557 3.578 -8.843 1.00 0.00 H new ATOM 0 HA VAL A 69 3.298 3.564 -7.791 1.00 0.00 H new ATOM 0 HB VAL A 69 2.118 3.059 -5.609 1.00 0.00 H new ATOM 0 HG11 VAL A 69 1.274 5.348 -5.286 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.813 5.331 -6.179 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.284 5.596 -7.049 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.307 3.460 -5.491 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.361 3.630 -7.262 1.00 0.00 H new ATOM 0 HG23 VAL A 69 0.083 2.069 -6.531 1.00 0.00 H new ATOM 1022 N ILE A 70 2.964 1.038 -6.750 1.00 0.00 N ATOM 1023 CA ILE A 70 3.113 -0.409 -6.668 1.00 0.00 C ATOM 1024 C ILE A 70 1.800 -1.116 -6.987 1.00 0.00 C ATOM 1025 O ILE A 70 0.721 -0.607 -6.685 1.00 0.00 O ATOM 1026 CB ILE A 70 3.593 -0.848 -5.272 1.00 0.00 C ATOM 1027 CG1 ILE A 70 4.674 0.105 -4.758 1.00 0.00 C ATOM 1028 CG2 ILE A 70 4.115 -2.276 -5.316 1.00 0.00 C ATOM 1029 CD1 ILE A 70 5.726 0.439 -5.791 1.00 0.00 C ATOM 0 H ILE A 70 3.336 1.547 -5.948 1.00 0.00 H new ATOM 0 HA ILE A 70 3.864 -0.691 -7.406 1.00 0.00 H new ATOM 0 HB ILE A 70 2.747 -0.813 -4.585 1.00 0.00 H new ATOM 0 HG12 ILE A 70 4.202 1.028 -4.420 1.00 0.00 H new ATOM 0 HG13 ILE A 70 5.158 -0.342 -3.890 1.00 0.00 H new ATOM 0 HG21 ILE A 70 4.450 -2.572 -4.322 1.00 0.00 H new ATOM 0 HG22 ILE A 70 3.319 -2.944 -5.644 1.00 0.00 H new ATOM 0 HG23 ILE A 70 4.950 -2.337 -6.014 1.00 0.00 H new ATOM 0 HD11 ILE A 70 6.459 1.119 -5.357 1.00 0.00 H new ATOM 0 HD12 ILE A 70 6.224 -0.476 -6.112 1.00 0.00 H new ATOM 0 HD13 ILE A 70 5.254 0.915 -6.650 1.00 0.00 H new ATOM 1041 N GLN A 71 1.901 -2.292 -7.598 1.00 0.00 N ATOM 1042 CA GLN A 71 0.721 -3.070 -7.957 1.00 0.00 C ATOM 1043 C GLN A 71 0.035 -3.624 -6.713 1.00 0.00 C ATOM 1044 O GLN A 71 -1.095 -4.108 -6.779 1.00 0.00 O ATOM 1045 CB GLN A 71 1.105 -4.215 -8.895 1.00 0.00 C ATOM 1046 CG GLN A 71 1.058 -3.838 -10.367 1.00 0.00 C ATOM 1047 CD GLN A 71 1.172 -5.042 -11.282 1.00 0.00 C ATOM 1048 OE1 GLN A 71 2.247 -5.625 -11.429 1.00 0.00 O ATOM 1049 NE2 GLN A 71 0.061 -5.421 -11.902 1.00 0.00 N ATOM 0 H GLN A 71 2.787 -2.727 -7.855 1.00 0.00 H new ATOM 0 HA GLN A 71 0.023 -2.408 -8.470 1.00 0.00 H new ATOM 0 HB2 GLN A 71 2.111 -4.554 -8.647 1.00 0.00 H new ATOM 0 HB3 GLN A 71 0.433 -5.056 -8.722 1.00 0.00 H new ATOM 0 HG2 GLN A 71 0.124 -3.316 -10.575 1.00 0.00 H new ATOM 0 HG3 GLN A 71 1.868 -3.142 -10.586 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -0.808 -4.908 -11.751 1.00 0.00 H new ATOM 0 HE22 GLN A 71 0.076 -6.225 -12.530 1.00 0.00 H new ATOM 1058 N ALA A 72 0.725 -3.549 -5.580 1.00 0.00 N ATOM 1059 CA ALA A 72 0.182 -4.042 -4.320 1.00 0.00 C ATOM 1060 C ALA A 72 -0.458 -2.913 -3.520 1.00 0.00 C ATOM 1061 O ALA A 72 -1.151 -3.155 -2.530 1.00 0.00 O ATOM 1062 CB ALA A 72 1.272 -4.719 -3.503 1.00 0.00 C ATOM 0 H ALA A 72 1.662 -3.151 -5.509 1.00 0.00 H new ATOM 0 HA ALA A 72 -0.592 -4.775 -4.548 1.00 0.00 H new ATOM 0 HB1 ALA A 72 0.851 -5.082 -2.565 1.00 0.00 H new ATOM 0 HB2 ALA A 72 1.681 -5.558 -4.066 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.066 -4.003 -3.291 1.00 0.00 H new ATOM 1068 N LEU A 73 -0.221 -1.679 -3.952 1.00 0.00 N ATOM 1069 CA LEU A 73 -0.774 -0.512 -3.275 1.00 0.00 C ATOM 1070 C LEU A 73 -2.015 0.001 -3.999 1.00 0.00 C ATOM 1071 O LEU A 73 -3.032 0.300 -3.373 1.00 0.00 O ATOM 1072 CB LEU A 73 0.275 0.598 -3.190 1.00 0.00 C ATOM 1073 CG LEU A 73 -0.257 2.006 -2.922 1.00 0.00 C ATOM 1074 CD1 LEU A 73 -1.054 2.038 -1.627 1.00 0.00 C ATOM 1075 CD2 LEU A 73 0.888 3.008 -2.871 1.00 0.00 C ATOM 0 H LEU A 73 0.351 -1.461 -4.768 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.061 -0.811 -2.267 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.982 0.342 -2.401 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.834 0.615 -4.126 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.921 2.285 -3.740 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.425 3.048 -1.453 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -1.896 1.350 -1.701 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.413 1.739 -0.798 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.491 4.005 -2.679 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.577 2.732 -2.073 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.417 3.005 -3.824 1.00 0.00 H new ATOM 1087 N ASP A 74 -1.925 0.098 -5.321 1.00 0.00 N ATOM 1088 CA ASP A 74 -3.041 0.571 -6.131 1.00 0.00 C ATOM 1089 C ASP A 74 -4.151 -0.473 -6.189 1.00 0.00 C ATOM 1090 O ASP A 74 -5.321 -0.141 -6.388 1.00 0.00 O ATOM 1091 CB ASP A 74 -2.566 0.908 -7.545 1.00 0.00 C ATOM 1092 CG ASP A 74 -3.409 1.986 -8.198 1.00 0.00 C ATOM 1093 OD1 ASP A 74 -3.087 3.180 -8.022 1.00 0.00 O ATOM 1094 OD2 ASP A 74 -4.391 1.635 -8.886 1.00 0.00 O ATOM 0 H ASP A 74 -1.090 -0.145 -5.854 1.00 0.00 H new ATOM 0 HA ASP A 74 -3.439 1.473 -5.666 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -1.527 1.236 -7.508 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -2.594 0.008 -8.159 1.00 0.00 H new ATOM 1099 N LEU A 75 -3.778 -1.736 -6.015 1.00 0.00 N ATOM 1100 CA LEU A 75 -4.742 -2.831 -6.049 1.00 0.00 C ATOM 1101 C LEU A 75 -5.373 -3.043 -4.677 1.00 0.00 C ATOM 1102 O LEU A 75 -6.251 -3.890 -4.511 1.00 0.00 O ATOM 1103 CB LEU A 75 -4.064 -4.120 -6.516 1.00 0.00 C ATOM 1104 CG LEU A 75 -3.706 -4.190 -8.001 1.00 0.00 C ATOM 1105 CD1 LEU A 75 -2.998 -2.918 -8.440 1.00 0.00 C ATOM 1106 CD2 LEU A 75 -2.839 -5.409 -8.283 1.00 0.00 C ATOM 0 H LEU A 75 -2.815 -2.028 -5.849 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.530 -2.567 -6.754 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.151 -4.258 -5.936 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -4.720 -4.958 -6.281 1.00 0.00 H new ATOM 0 HG LEU A 75 -4.629 -4.284 -8.574 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -2.751 -2.986 -9.499 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.652 -2.062 -8.274 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.083 -2.793 -7.861 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.594 -5.443 -9.344 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -1.920 -5.345 -7.700 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.382 -6.313 -8.007 1.00 0.00 H new ATOM 1118 N SER A 76 -4.921 -2.267 -3.697 1.00 0.00 N ATOM 1119 CA SER A 76 -5.441 -2.371 -2.338 1.00 0.00 C ATOM 1120 C SER A 76 -6.154 -1.085 -1.930 1.00 0.00 C ATOM 1121 O SER A 76 -7.118 -1.113 -1.165 1.00 0.00 O ATOM 1122 CB SER A 76 -4.306 -2.672 -1.358 1.00 0.00 C ATOM 1123 OG SER A 76 -3.417 -1.573 -1.254 1.00 0.00 O ATOM 0 H SER A 76 -4.196 -1.560 -3.818 1.00 0.00 H new ATOM 0 HA SER A 76 -6.161 -3.189 -2.311 1.00 0.00 H new ATOM 0 HB2 SER A 76 -4.720 -2.903 -0.377 1.00 0.00 H new ATOM 0 HB3 SER A 76 -3.760 -3.555 -1.689 1.00 0.00 H new ATOM 0 HG SER A 76 -3.422 -1.068 -2.094 1.00 0.00 H new ATOM 1129 N VAL A 77 -5.672 0.041 -2.445 1.00 0.00 N ATOM 1130 CA VAL A 77 -6.263 1.338 -2.136 1.00 0.00 C ATOM 1131 C VAL A 77 -7.777 1.308 -2.312 1.00 0.00 C ATOM 1132 O VAL A 77 -8.539 1.629 -1.400 1.00 0.00 O ATOM 1133 CB VAL A 77 -5.675 2.449 -3.026 1.00 0.00 C ATOM 1134 CG1 VAL A 77 -6.693 3.560 -3.235 1.00 0.00 C ATOM 1135 CG2 VAL A 77 -4.393 2.996 -2.418 1.00 0.00 C ATOM 0 H VAL A 77 -4.874 0.082 -3.078 1.00 0.00 H new ATOM 0 HA VAL A 77 -6.026 1.554 -1.094 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.434 2.022 -3.999 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.260 4.336 -3.866 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -7.581 3.153 -3.718 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.968 3.988 -2.271 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -3.991 3.780 -3.060 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.605 3.408 -1.431 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -3.662 2.193 -2.326 1.00 0.00 H new ATOM 1145 N PRO A 78 -8.225 0.912 -3.512 1.00 0.00 N ATOM 1146 CA PRO A 78 -9.652 0.829 -3.836 1.00 0.00 C ATOM 1147 C PRO A 78 -10.351 -0.304 -3.092 1.00 0.00 C ATOM 1148 O PRO A 78 -11.537 -0.561 -3.304 1.00 0.00 O ATOM 1149 CB PRO A 78 -9.659 0.564 -5.343 1.00 0.00 C ATOM 1150 CG PRO A 78 -8.349 -0.088 -5.619 1.00 0.00 C ATOM 1151 CD PRO A 78 -7.374 0.514 -4.646 1.00 0.00 C ATOM 0 HA PRO A 78 -10.189 1.732 -3.546 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -10.490 -0.081 -5.628 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -9.767 1.490 -5.907 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -8.415 -1.168 -5.487 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -8.034 0.089 -6.647 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -6.612 -0.205 -4.344 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -6.853 1.369 -5.077 1.00 0.00 H new ATOM 1159 N LEU A 79 -9.610 -0.978 -2.220 1.00 0.00 N ATOM 1160 CA LEU A 79 -10.159 -2.085 -1.444 1.00 0.00 C ATOM 1161 C LEU A 79 -10.210 -1.736 0.040 1.00 0.00 C ATOM 1162 O LEU A 79 -10.409 -2.607 0.886 1.00 0.00 O ATOM 1163 CB LEU A 79 -9.320 -3.347 -1.654 1.00 0.00 C ATOM 1164 CG LEU A 79 -8.974 -3.689 -3.104 1.00 0.00 C ATOM 1165 CD1 LEU A 79 -8.261 -5.030 -3.180 1.00 0.00 C ATOM 1166 CD2 LEU A 79 -10.229 -3.700 -3.963 1.00 0.00 C ATOM 0 H LEU A 79 -8.628 -0.778 -2.032 1.00 0.00 H new ATOM 0 HA LEU A 79 -11.176 -2.270 -1.791 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -8.390 -3.238 -1.096 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -9.855 -4.192 -1.220 1.00 0.00 H new ATOM 0 HG LEU A 79 -8.302 -2.922 -3.488 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -8.023 -5.257 -4.219 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -7.341 -4.986 -2.598 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -8.908 -5.809 -2.778 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -9.964 -3.945 -4.991 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -10.925 -4.446 -3.580 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -10.698 -2.717 -3.934 1.00 0.00 H new ATOM 1178 N MET A 80 -10.031 -0.455 0.348 1.00 0.00 N ATOM 1179 CA MET A 80 -10.060 0.009 1.730 1.00 0.00 C ATOM 1180 C MET A 80 -10.754 1.363 1.834 1.00 0.00 C ATOM 1181 O MET A 80 -10.576 2.230 0.978 1.00 0.00 O ATOM 1182 CB MET A 80 -8.639 0.107 2.288 1.00 0.00 C ATOM 1183 CG MET A 80 -7.670 0.822 1.361 1.00 0.00 C ATOM 1184 SD MET A 80 -5.945 0.524 1.795 1.00 0.00 S ATOM 1185 CE MET A 80 -5.833 1.396 3.356 1.00 0.00 C ATOM 0 H MET A 80 -9.865 0.279 -0.340 1.00 0.00 H new ATOM 0 HA MET A 80 -10.624 -0.715 2.318 1.00 0.00 H new ATOM 0 HB2 MET A 80 -8.668 0.631 3.244 1.00 0.00 H new ATOM 0 HB3 MET A 80 -8.265 -0.898 2.486 1.00 0.00 H new ATOM 0 HG2 MET A 80 -7.845 0.494 0.336 1.00 0.00 H new ATOM 0 HG3 MET A 80 -7.868 1.893 1.391 1.00 0.00 H new ATOM 0 HE1 MET A 80 -4.893 1.946 3.399 1.00 0.00 H new ATOM 0 HE2 MET A 80 -6.666 2.094 3.444 1.00 0.00 H new ATOM 0 HE3 MET A 80 -5.872 0.680 4.177 1.00 0.00 H new ATOM 1195 N ASP A 81 -11.545 1.539 2.887 1.00 0.00 N ATOM 1196 CA ASP A 81 -12.265 2.788 3.103 1.00 0.00 C ATOM 1197 C ASP A 81 -11.328 3.872 3.628 1.00 0.00 C ATOM 1198 O ASP A 81 -10.350 3.581 4.316 1.00 0.00 O ATOM 1199 CB ASP A 81 -13.418 2.574 4.085 1.00 0.00 C ATOM 1200 CG ASP A 81 -14.353 1.464 3.646 1.00 0.00 C ATOM 1201 OD1 ASP A 81 -13.962 0.283 3.752 1.00 0.00 O ATOM 1202 OD2 ASP A 81 -15.476 1.777 3.196 1.00 0.00 O ATOM 0 H ASP A 81 -11.704 0.832 3.605 1.00 0.00 H new ATOM 0 HA ASP A 81 -12.670 3.115 2.145 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -13.014 2.337 5.069 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -13.982 3.501 4.187 1.00 0.00 H new ATOM 1207 N VAL A 82 -11.634 5.122 3.298 1.00 0.00 N ATOM 1208 CA VAL A 82 -10.820 6.250 3.736 1.00 0.00 C ATOM 1209 C VAL A 82 -10.759 6.326 5.257 1.00 0.00 C ATOM 1210 O VAL A 82 -11.789 6.370 5.928 1.00 0.00 O ATOM 1211 CB VAL A 82 -11.364 7.582 3.187 1.00 0.00 C ATOM 1212 CG1 VAL A 82 -12.861 7.691 3.436 1.00 0.00 C ATOM 1213 CG2 VAL A 82 -10.625 8.756 3.811 1.00 0.00 C ATOM 0 H VAL A 82 -12.440 5.380 2.729 1.00 0.00 H new ATOM 0 HA VAL A 82 -9.816 6.087 3.343 1.00 0.00 H new ATOM 0 HB VAL A 82 -11.196 7.607 2.110 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -13.227 8.639 3.041 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -13.374 6.868 2.938 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -13.056 7.645 4.507 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -11.022 9.689 3.412 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -10.760 8.737 4.892 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -9.563 8.684 3.576 1.00 0.00 H new ATOM 1223 N GLY A 83 -9.544 6.341 5.796 1.00 0.00 N ATOM 1224 CA GLY A 83 -9.371 6.412 7.235 1.00 0.00 C ATOM 1225 C GLY A 83 -9.089 5.057 7.853 1.00 0.00 C ATOM 1226 O GLY A 83 -9.090 4.913 9.075 1.00 0.00 O ATOM 0 H GLY A 83 -8.676 6.305 5.262 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -8.550 7.091 7.466 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -10.270 6.833 7.685 1.00 0.00 H new ATOM 1230 N GLU A 84 -8.849 4.061 7.006 1.00 0.00 N ATOM 1231 CA GLU A 84 -8.566 2.710 7.478 1.00 0.00 C ATOM 1232 C GLU A 84 -7.165 2.271 7.064 1.00 0.00 C ATOM 1233 O GLU A 84 -6.809 2.320 5.886 1.00 0.00 O ATOM 1234 CB GLU A 84 -9.603 1.728 6.929 1.00 0.00 C ATOM 1235 CG GLU A 84 -9.176 0.273 7.028 1.00 0.00 C ATOM 1236 CD GLU A 84 -10.214 -0.680 6.469 1.00 0.00 C ATOM 1237 OE1 GLU A 84 -11.399 -0.554 6.843 1.00 0.00 O ATOM 1238 OE2 GLU A 84 -9.841 -1.552 5.656 1.00 0.00 O ATOM 0 H GLU A 84 -8.845 4.164 5.991 1.00 0.00 H new ATOM 0 HA GLU A 84 -8.619 2.714 8.567 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -10.539 1.861 7.471 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -9.802 1.969 5.885 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -8.237 0.137 6.491 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -8.985 0.025 8.072 1.00 0.00 H new ATOM 1245 N THR A 85 -6.372 1.843 8.041 1.00 0.00 N ATOM 1246 CA THR A 85 -5.009 1.397 7.780 1.00 0.00 C ATOM 1247 C THR A 85 -4.964 -0.103 7.509 1.00 0.00 C ATOM 1248 O THR A 85 -5.265 -0.911 8.387 1.00 0.00 O ATOM 1249 CB THR A 85 -4.076 1.722 8.962 1.00 0.00 C ATOM 1250 OG1 THR A 85 -4.106 3.126 9.238 1.00 0.00 O ATOM 1251 CG2 THR A 85 -2.649 1.289 8.659 1.00 0.00 C ATOM 0 H THR A 85 -6.650 1.796 9.021 1.00 0.00 H new ATOM 0 HA THR A 85 -4.664 1.934 6.896 1.00 0.00 H new ATOM 0 HB THR A 85 -4.428 1.174 9.836 1.00 0.00 H new ATOM 0 HG1 THR A 85 -3.512 3.324 9.992 1.00 0.00 H new ATOM 0 HG21 THR A 85 -2.008 1.528 9.508 1.00 0.00 H new ATOM 0 HG22 THR A 85 -2.625 0.214 8.478 1.00 0.00 H new ATOM 0 HG23 THR A 85 -2.290 1.814 7.774 1.00 0.00 H new ATOM 1259 N ALA A 86 -4.586 -0.467 6.288 1.00 0.00 N ATOM 1260 CA ALA A 86 -4.498 -1.870 5.902 1.00 0.00 C ATOM 1261 C ALA A 86 -3.109 -2.209 5.374 1.00 0.00 C ATOM 1262 O ALA A 86 -2.494 -1.413 4.664 1.00 0.00 O ATOM 1263 CB ALA A 86 -5.556 -2.197 4.859 1.00 0.00 C ATOM 0 H ALA A 86 -4.336 0.190 5.549 1.00 0.00 H new ATOM 0 HA ALA A 86 -4.678 -2.477 6.789 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -5.479 -3.248 4.580 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.546 -2.003 5.272 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -5.402 -1.575 3.977 1.00 0.00 H new ATOM 1269 N MET A 87 -2.619 -3.393 5.725 1.00 0.00 N ATOM 1270 CA MET A 87 -1.302 -3.836 5.285 1.00 0.00 C ATOM 1271 C MET A 87 -1.416 -4.782 4.093 1.00 0.00 C ATOM 1272 O MET A 87 -2.337 -5.596 4.020 1.00 0.00 O ATOM 1273 CB MET A 87 -0.564 -4.530 6.432 1.00 0.00 C ATOM 1274 CG MET A 87 0.748 -5.173 6.010 1.00 0.00 C ATOM 1275 SD MET A 87 2.061 -3.965 5.752 1.00 0.00 S ATOM 1276 CE MET A 87 2.567 -3.648 7.440 1.00 0.00 C ATOM 0 H MET A 87 -3.115 -4.063 6.313 1.00 0.00 H new ATOM 0 HA MET A 87 -0.736 -2.957 4.976 1.00 0.00 H new ATOM 0 HB2 MET A 87 -0.366 -3.802 7.219 1.00 0.00 H new ATOM 0 HB3 MET A 87 -1.212 -5.294 6.861 1.00 0.00 H new ATOM 0 HG2 MET A 87 1.060 -5.886 6.773 1.00 0.00 H new ATOM 0 HG3 MET A 87 0.593 -5.737 5.090 1.00 0.00 H new ATOM 0 HE1 MET A 87 3.538 -3.153 7.442 1.00 0.00 H new ATOM 0 HE2 MET A 87 1.832 -3.007 7.926 1.00 0.00 H new ATOM 0 HE3 MET A 87 2.640 -4.591 7.981 1.00 0.00 H new ATOM 1286 N VAL A 88 -0.475 -4.668 3.161 1.00 0.00 N ATOM 1287 CA VAL A 88 -0.470 -5.513 1.973 1.00 0.00 C ATOM 1288 C VAL A 88 0.858 -6.246 1.825 1.00 0.00 C ATOM 1289 O VAL A 88 1.928 -5.650 1.956 1.00 0.00 O ATOM 1290 CB VAL A 88 -0.735 -4.690 0.698 1.00 0.00 C ATOM 1291 CG1 VAL A 88 -2.049 -3.933 0.813 1.00 0.00 C ATOM 1292 CG2 VAL A 88 0.419 -3.735 0.432 1.00 0.00 C ATOM 0 H VAL A 88 0.293 -3.999 3.206 1.00 0.00 H new ATOM 0 HA VAL A 88 -1.271 -6.241 2.099 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.812 -5.375 -0.146 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -2.218 -3.358 -0.097 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -2.866 -4.641 0.952 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -2.006 -3.257 1.667 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.216 -3.161 -0.472 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.530 -3.054 1.276 1.00 0.00 H new ATOM 0 HG23 VAL A 88 1.339 -4.304 0.301 1.00 0.00 H new ATOM 1302 N THR A 89 0.784 -7.545 1.551 1.00 0.00 N ATOM 1303 CA THR A 89 1.980 -8.361 1.386 1.00 0.00 C ATOM 1304 C THR A 89 1.944 -9.129 0.070 1.00 0.00 C ATOM 1305 O THR A 89 1.280 -10.159 -0.040 1.00 0.00 O ATOM 1306 CB THR A 89 2.143 -9.360 2.547 1.00 0.00 C ATOM 1307 OG1 THR A 89 0.909 -10.049 2.778 1.00 0.00 O ATOM 1308 CG2 THR A 89 2.577 -8.647 3.819 1.00 0.00 C ATOM 0 H THR A 89 -0.093 -8.054 1.439 1.00 0.00 H new ATOM 0 HA THR A 89 2.830 -7.679 1.382 1.00 0.00 H new ATOM 0 HB THR A 89 2.914 -10.079 2.272 1.00 0.00 H new ATOM 0 HG1 THR A 89 0.550 -10.372 1.925 1.00 0.00 H new ATOM 0 HG21 THR A 89 2.685 -9.373 4.624 1.00 0.00 H new ATOM 0 HG22 THR A 89 3.531 -8.148 3.649 1.00 0.00 H new ATOM 0 HG23 THR A 89 1.826 -7.908 4.096 1.00 0.00 H new ATOM 1316 N ALA A 90 2.664 -8.623 -0.925 1.00 0.00 N ATOM 1317 CA ALA A 90 2.717 -9.264 -2.233 1.00 0.00 C ATOM 1318 C ALA A 90 4.150 -9.619 -2.614 1.00 0.00 C ATOM 1319 O ALA A 90 5.103 -9.114 -2.019 1.00 0.00 O ATOM 1320 CB ALA A 90 2.097 -8.360 -3.289 1.00 0.00 C ATOM 0 H ALA A 90 3.219 -7.771 -0.850 1.00 0.00 H new ATOM 0 HA ALA A 90 2.144 -10.189 -2.180 1.00 0.00 H new ATOM 0 HB1 ALA A 90 2.143 -8.851 -4.261 1.00 0.00 H new ATOM 0 HB2 ALA A 90 1.057 -8.161 -3.032 1.00 0.00 H new ATOM 0 HB3 ALA A 90 2.647 -7.420 -3.331 1.00 0.00 H new ATOM 1326 N ASP A 91 4.295 -10.489 -3.606 1.00 0.00 N ATOM 1327 CA ASP A 91 5.613 -10.912 -4.066 1.00 0.00 C ATOM 1328 C ASP A 91 6.306 -9.790 -4.833 1.00 0.00 C ATOM 1329 O ASP A 91 5.651 -8.922 -5.410 1.00 0.00 O ATOM 1330 CB ASP A 91 5.494 -12.153 -4.951 1.00 0.00 C ATOM 1331 CG ASP A 91 6.758 -12.422 -5.744 1.00 0.00 C ATOM 1332 OD1 ASP A 91 7.857 -12.319 -5.161 1.00 0.00 O ATOM 1333 OD2 ASP A 91 6.648 -12.735 -6.949 1.00 0.00 O ATOM 0 H ASP A 91 3.516 -10.916 -4.108 1.00 0.00 H new ATOM 0 HA ASP A 91 6.215 -11.156 -3.191 1.00 0.00 H new ATOM 0 HB2 ASP A 91 5.268 -13.019 -4.329 1.00 0.00 H new ATOM 0 HB3 ASP A 91 4.657 -12.027 -5.638 1.00 0.00 H new ATOM 1338 N SER A 92 7.635 -9.814 -4.834 1.00 0.00 N ATOM 1339 CA SER A 92 8.418 -8.796 -5.525 1.00 0.00 C ATOM 1340 C SER A 92 7.851 -8.527 -6.916 1.00 0.00 C ATOM 1341 O SER A 92 7.850 -7.391 -7.390 1.00 0.00 O ATOM 1342 CB SER A 92 9.880 -9.233 -5.634 1.00 0.00 C ATOM 1343 OG SER A 92 10.630 -8.316 -6.411 1.00 0.00 O ATOM 0 H SER A 92 8.192 -10.527 -4.364 1.00 0.00 H new ATOM 0 HA SER A 92 8.364 -7.875 -4.944 1.00 0.00 H new ATOM 0 HB2 SER A 92 10.315 -9.311 -4.637 1.00 0.00 H new ATOM 0 HB3 SER A 92 9.934 -10.225 -6.084 1.00 0.00 H new ATOM 0 HG SER A 92 10.700 -8.647 -7.331 1.00 0.00 H new ATOM 1349 N LYS A 93 7.370 -9.581 -7.566 1.00 0.00 N ATOM 1350 CA LYS A 93 6.799 -9.462 -8.902 1.00 0.00 C ATOM 1351 C LYS A 93 5.791 -8.318 -8.963 1.00 0.00 C ATOM 1352 O LYS A 93 5.710 -7.601 -9.961 1.00 0.00 O ATOM 1353 CB LYS A 93 6.123 -10.773 -9.309 1.00 0.00 C ATOM 1354 CG LYS A 93 4.783 -11.003 -8.631 1.00 0.00 C ATOM 1355 CD LYS A 93 4.066 -12.212 -9.208 1.00 0.00 C ATOM 1356 CE LYS A 93 4.844 -13.494 -8.956 1.00 0.00 C ATOM 1357 NZ LYS A 93 4.220 -14.664 -9.633 1.00 0.00 N ATOM 0 H LYS A 93 7.364 -10.529 -7.189 1.00 0.00 H new ATOM 0 HA LYS A 93 7.610 -9.247 -9.598 1.00 0.00 H new ATOM 0 HB2 LYS A 93 5.979 -10.778 -10.390 1.00 0.00 H new ATOM 0 HB3 LYS A 93 6.788 -11.604 -9.072 1.00 0.00 H new ATOM 0 HG2 LYS A 93 4.935 -11.146 -7.561 1.00 0.00 H new ATOM 0 HG3 LYS A 93 4.158 -10.118 -8.749 1.00 0.00 H new ATOM 0 HD2 LYS A 93 3.074 -12.294 -8.764 1.00 0.00 H new ATOM 0 HD3 LYS A 93 3.925 -12.075 -10.280 1.00 0.00 H new ATOM 0 HE2 LYS A 93 5.868 -13.373 -9.310 1.00 0.00 H new ATOM 0 HE3 LYS A 93 4.898 -13.681 -7.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 4.780 -15.518 -9.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 3.252 -14.795 -9.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 4.192 -14.497 -10.659 1.00 0.00 H new ATOM 1371 N TYR A 94 5.027 -8.152 -7.889 1.00 0.00 N ATOM 1372 CA TYR A 94 4.024 -7.095 -7.821 1.00 0.00 C ATOM 1373 C TYR A 94 4.628 -5.805 -7.275 1.00 0.00 C ATOM 1374 O TYR A 94 4.109 -4.714 -7.514 1.00 0.00 O ATOM 1375 CB TYR A 94 2.849 -7.534 -6.945 1.00 0.00 C ATOM 1376 CG TYR A 94 2.071 -8.698 -7.514 1.00 0.00 C ATOM 1377 CD1 TYR A 94 1.199 -8.521 -8.581 1.00 0.00 C ATOM 1378 CD2 TYR A 94 2.206 -9.975 -6.983 1.00 0.00 C ATOM 1379 CE1 TYR A 94 0.485 -9.582 -9.104 1.00 0.00 C ATOM 1380 CE2 TYR A 94 1.497 -11.042 -7.500 1.00 0.00 C ATOM 1381 CZ TYR A 94 0.638 -10.840 -8.560 1.00 0.00 C ATOM 1382 OH TYR A 94 -0.072 -11.900 -9.077 1.00 0.00 O ATOM 0 H TYR A 94 5.083 -8.735 -7.054 1.00 0.00 H new ATOM 0 HA TYR A 94 3.663 -6.905 -8.832 1.00 0.00 H new ATOM 0 HB2 TYR A 94 3.224 -7.806 -5.958 1.00 0.00 H new ATOM 0 HB3 TYR A 94 2.174 -6.689 -6.807 1.00 0.00 H new ATOM 0 HD1 TYR A 94 1.077 -7.537 -9.009 1.00 0.00 H new ATOM 0 HD2 TYR A 94 2.877 -10.136 -6.152 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -0.189 -9.427 -9.934 1.00 0.00 H new ATOM 0 HE2 TYR A 94 1.615 -12.029 -7.077 1.00 0.00 H new ATOM 0 HH TYR A 94 0.151 -12.716 -8.582 1.00 0.00 H new ATOM 1392 N CYS A 95 5.726 -5.939 -6.540 1.00 0.00 N ATOM 1393 CA CYS A 95 6.403 -4.785 -5.958 1.00 0.00 C ATOM 1394 C CYS A 95 7.224 -4.049 -7.011 1.00 0.00 C ATOM 1395 O CYS A 95 6.865 -2.951 -7.438 1.00 0.00 O ATOM 1396 CB CYS A 95 7.306 -5.225 -4.805 1.00 0.00 C ATOM 1397 SG CYS A 95 6.446 -6.136 -3.501 1.00 0.00 S ATOM 0 H CYS A 95 6.167 -6.835 -6.333 1.00 0.00 H new ATOM 0 HA CYS A 95 5.643 -4.104 -5.575 1.00 0.00 H new ATOM 0 HB2 CYS A 95 8.107 -5.849 -5.202 1.00 0.00 H new ATOM 0 HB3 CYS A 95 7.776 -4.344 -4.369 1.00 0.00 H new ATOM 0 HG CYS A 95 6.005 -7.262 -3.977 1.00 0.00 H new ATOM 1403 N TYR A 96 8.329 -4.659 -7.425 1.00 0.00 N ATOM 1404 CA TYR A 96 9.205 -4.059 -8.425 1.00 0.00 C ATOM 1405 C TYR A 96 9.371 -4.983 -9.628 1.00 0.00 C ATOM 1406 O TYR A 96 9.398 -4.532 -10.772 1.00 0.00 O ATOM 1407 CB TYR A 96 10.572 -3.747 -7.815 1.00 0.00 C ATOM 1408 CG TYR A 96 10.545 -2.609 -6.819 1.00 0.00 C ATOM 1409 CD1 TYR A 96 9.825 -2.712 -5.635 1.00 0.00 C ATOM 1410 CD2 TYR A 96 11.241 -1.431 -7.062 1.00 0.00 C ATOM 1411 CE1 TYR A 96 9.797 -1.675 -4.724 1.00 0.00 C ATOM 1412 CE2 TYR A 96 11.220 -0.389 -6.155 1.00 0.00 C ATOM 1413 CZ TYR A 96 10.496 -0.515 -4.988 1.00 0.00 C ATOM 1414 OH TYR A 96 10.472 0.520 -4.081 1.00 0.00 O ATOM 0 H TYR A 96 8.640 -5.569 -7.084 1.00 0.00 H new ATOM 0 HA TYR A 96 8.746 -3.130 -8.763 1.00 0.00 H new ATOM 0 HB2 TYR A 96 10.953 -4.641 -7.322 1.00 0.00 H new ATOM 0 HB3 TYR A 96 11.270 -3.502 -8.615 1.00 0.00 H new ATOM 0 HD1 TYR A 96 9.278 -3.619 -5.424 1.00 0.00 H new ATOM 0 HD2 TYR A 96 11.808 -1.328 -7.975 1.00 0.00 H new ATOM 0 HE1 TYR A 96 9.231 -1.771 -3.809 1.00 0.00 H new ATOM 0 HE2 TYR A 96 11.768 0.519 -6.359 1.00 0.00 H new ATOM 0 HH TYR A 96 9.647 1.036 -4.196 1.00 0.00 H new ATOM 1424 N GLY A 97 9.482 -6.280 -9.358 1.00 0.00 N ATOM 1425 CA GLY A 97 9.644 -7.248 -10.427 1.00 0.00 C ATOM 1426 C GLY A 97 10.749 -8.246 -10.143 1.00 0.00 C ATOM 1427 O GLY A 97 11.623 -8.016 -9.307 1.00 0.00 O ATOM 0 H GLY A 97 9.463 -6.677 -8.419 1.00 0.00 H new ATOM 0 HA2 GLY A 97 8.705 -7.782 -10.575 1.00 0.00 H new ATOM 0 HA3 GLY A 97 9.862 -6.724 -11.358 1.00 0.00 H new ATOM 1431 N PRO A 98 10.719 -9.386 -10.849 1.00 0.00 N ATOM 1432 CA PRO A 98 11.718 -10.446 -10.685 1.00 0.00 C ATOM 1433 C PRO A 98 13.088 -10.039 -11.217 1.00 0.00 C ATOM 1434 O PRO A 98 14.023 -10.838 -11.223 1.00 0.00 O ATOM 1435 CB PRO A 98 11.147 -11.603 -11.509 1.00 0.00 C ATOM 1436 CG PRO A 98 10.278 -10.949 -12.528 1.00 0.00 C ATOM 1437 CD PRO A 98 9.707 -9.728 -11.863 1.00 0.00 C ATOM 0 HA PRO A 98 11.882 -10.692 -9.636 1.00 0.00 H new ATOM 0 HB2 PRO A 98 11.941 -12.184 -11.979 1.00 0.00 H new ATOM 0 HB3 PRO A 98 10.576 -12.290 -10.884 1.00 0.00 H new ATOM 0 HG2 PRO A 98 10.852 -10.678 -13.414 1.00 0.00 H new ATOM 0 HG3 PRO A 98 9.485 -11.622 -12.855 1.00 0.00 H new ATOM 0 HD2 PRO A 98 9.560 -8.915 -12.574 1.00 0.00 H new ATOM 0 HD3 PRO A 98 8.737 -9.934 -11.409 1.00 0.00 H new ATOM 1445 N GLN A 99 13.198 -8.791 -11.661 1.00 0.00 N ATOM 1446 CA GLN A 99 14.455 -8.279 -12.194 1.00 0.00 C ATOM 1447 C GLN A 99 15.223 -7.504 -11.129 1.00 0.00 C ATOM 1448 O GLN A 99 16.430 -7.678 -10.970 1.00 0.00 O ATOM 1449 CB GLN A 99 14.191 -7.381 -13.405 1.00 0.00 C ATOM 1450 CG GLN A 99 12.903 -7.714 -14.140 1.00 0.00 C ATOM 1451 CD GLN A 99 11.706 -6.962 -13.592 1.00 0.00 C ATOM 1452 OE1 GLN A 99 11.808 -6.261 -12.584 1.00 0.00 O ATOM 1453 NE2 GLN A 99 10.564 -7.103 -14.253 1.00 0.00 N ATOM 0 H GLN A 99 12.433 -8.117 -11.662 1.00 0.00 H new ATOM 0 HA GLN A 99 15.062 -9.129 -12.506 1.00 0.00 H new ATOM 0 HB2 GLN A 99 14.153 -6.343 -13.076 1.00 0.00 H new ATOM 0 HB3 GLN A 99 15.028 -7.465 -14.099 1.00 0.00 H new ATOM 0 HG2 GLN A 99 13.022 -7.479 -15.198 1.00 0.00 H new ATOM 0 HG3 GLN A 99 12.717 -8.786 -14.071 1.00 0.00 H new ATOM 0 HE21 GLN A 99 10.525 -7.694 -15.083 1.00 0.00 H new ATOM 0 HE22 GLN A 99 9.725 -6.620 -13.931 1.00 0.00 H new ATOM 1462 N GLY A 100 14.514 -6.646 -10.401 1.00 0.00 N ATOM 1463 CA GLY A 100 15.146 -5.857 -9.360 1.00 0.00 C ATOM 1464 C GLY A 100 14.976 -4.367 -9.579 1.00 0.00 C ATOM 1465 O GLY A 100 14.282 -3.943 -10.503 1.00 0.00 O ATOM 0 H GLY A 100 13.513 -6.484 -10.514 1.00 0.00 H new ATOM 0 HA2 GLY A 100 14.722 -6.130 -8.394 1.00 0.00 H new ATOM 0 HA3 GLY A 100 16.209 -6.097 -9.321 1.00 0.00 H new ATOM 1529 N TYR A 105 17.696 0.310 -4.824 1.00 0.00 N ATOM 1530 CA TYR A 105 17.868 -1.024 -5.387 1.00 0.00 C ATOM 1531 C TYR A 105 17.187 -2.076 -4.516 1.00 0.00 C ATOM 1532 O TYR A 105 17.193 -1.979 -3.289 1.00 0.00 O ATOM 1533 CB TYR A 105 19.356 -1.351 -5.531 1.00 0.00 C ATOM 1534 CG TYR A 105 19.629 -2.807 -5.836 1.00 0.00 C ATOM 1535 CD1 TYR A 105 19.362 -3.795 -4.896 1.00 0.00 C ATOM 1536 CD2 TYR A 105 20.155 -3.193 -7.062 1.00 0.00 C ATOM 1537 CE1 TYR A 105 19.611 -5.126 -5.170 1.00 0.00 C ATOM 1538 CE2 TYR A 105 20.405 -4.522 -7.345 1.00 0.00 C ATOM 1539 CZ TYR A 105 20.132 -5.485 -6.396 1.00 0.00 C ATOM 1540 OH TYR A 105 20.381 -6.809 -6.673 1.00 0.00 O ATOM 0 HA TYR A 105 17.402 -1.038 -6.372 1.00 0.00 H new ATOM 0 HB2 TYR A 105 19.779 -0.736 -6.325 1.00 0.00 H new ATOM 0 HB3 TYR A 105 19.870 -1.079 -4.609 1.00 0.00 H new ATOM 0 HD1 TYR A 105 18.953 -3.518 -3.936 1.00 0.00 H new ATOM 0 HD2 TYR A 105 20.372 -2.442 -7.807 1.00 0.00 H new ATOM 0 HE1 TYR A 105 19.399 -5.882 -4.428 1.00 0.00 H new ATOM 0 HE2 TYR A 105 20.812 -4.805 -8.304 1.00 0.00 H new ATOM 0 HH TYR A 105 20.745 -6.891 -7.579 1.00 0.00 H new ATOM 1550 N ILE A 106 16.602 -3.079 -5.161 1.00 0.00 N ATOM 1551 CA ILE A 106 15.918 -4.150 -4.447 1.00 0.00 C ATOM 1552 C ILE A 106 16.126 -5.493 -5.139 1.00 0.00 C ATOM 1553 O ILE A 106 16.133 -5.593 -6.366 1.00 0.00 O ATOM 1554 CB ILE A 106 14.407 -3.874 -4.331 1.00 0.00 C ATOM 1555 CG1 ILE A 106 13.695 -4.256 -5.631 1.00 0.00 C ATOM 1556 CG2 ILE A 106 14.160 -2.410 -3.996 1.00 0.00 C ATOM 1557 CD1 ILE A 106 13.295 -5.713 -5.694 1.00 0.00 C ATOM 0 H ILE A 106 16.588 -3.173 -6.177 1.00 0.00 H new ATOM 0 HA ILE A 106 16.350 -4.188 -3.447 1.00 0.00 H new ATOM 0 HB ILE A 106 14.002 -4.485 -3.524 1.00 0.00 H new ATOM 0 HG12 ILE A 106 12.804 -3.638 -5.743 1.00 0.00 H new ATOM 0 HG13 ILE A 106 14.348 -4.030 -6.474 1.00 0.00 H new ATOM 0 HG21 ILE A 106 13.088 -2.231 -3.917 1.00 0.00 H new ATOM 0 HG22 ILE A 106 14.639 -2.168 -3.047 1.00 0.00 H new ATOM 0 HG23 ILE A 106 14.576 -1.781 -4.783 1.00 0.00 H new ATOM 0 HD11 ILE A 106 12.796 -5.913 -6.642 1.00 0.00 H new ATOM 0 HD12 ILE A 106 14.184 -6.338 -5.613 1.00 0.00 H new ATOM 0 HD13 ILE A 106 12.616 -5.940 -4.872 1.00 0.00 H new ATOM 1569 N PRO A 107 16.299 -6.552 -4.334 1.00 0.00 N ATOM 1570 CA PRO A 107 16.509 -7.909 -4.847 1.00 0.00 C ATOM 1571 C PRO A 107 15.254 -8.484 -5.496 1.00 0.00 C ATOM 1572 O PRO A 107 14.132 -8.256 -5.044 1.00 0.00 O ATOM 1573 CB PRO A 107 16.877 -8.708 -3.594 1.00 0.00 C ATOM 1574 CG PRO A 107 16.254 -7.957 -2.469 1.00 0.00 C ATOM 1575 CD PRO A 107 16.303 -6.506 -2.862 1.00 0.00 C ATOM 0 HA PRO A 107 17.270 -7.937 -5.627 1.00 0.00 H new ATOM 0 HB2 PRO A 107 16.496 -9.728 -3.649 1.00 0.00 H new ATOM 0 HB3 PRO A 107 17.958 -8.778 -3.473 1.00 0.00 H new ATOM 0 HG2 PRO A 107 15.227 -8.282 -2.304 1.00 0.00 H new ATOM 0 HG3 PRO A 107 16.795 -8.128 -1.539 1.00 0.00 H new ATOM 0 HD2 PRO A 107 15.446 -5.955 -2.475 1.00 0.00 H new ATOM 0 HD3 PRO A 107 17.197 -6.015 -2.478 1.00 0.00 H new ATOM 1583 N PRO A 108 15.446 -9.248 -6.581 1.00 0.00 N ATOM 1584 CA PRO A 108 14.341 -9.872 -7.315 1.00 0.00 C ATOM 1585 C PRO A 108 13.679 -10.993 -6.523 1.00 0.00 C ATOM 1586 O PRO A 108 14.319 -11.646 -5.698 1.00 0.00 O ATOM 1587 CB PRO A 108 15.019 -10.431 -8.569 1.00 0.00 C ATOM 1588 CG PRO A 108 16.438 -10.646 -8.168 1.00 0.00 C ATOM 1589 CD PRO A 108 16.756 -9.562 -7.176 1.00 0.00 C ATOM 0 HA PRO A 108 13.541 -9.163 -7.527 1.00 0.00 H new ATOM 0 HB2 PRO A 108 14.553 -11.363 -8.889 1.00 0.00 H new ATOM 0 HB3 PRO A 108 14.945 -9.734 -9.404 1.00 0.00 H new ATOM 0 HG2 PRO A 108 16.573 -11.633 -7.725 1.00 0.00 H new ATOM 0 HG3 PRO A 108 17.100 -10.591 -9.032 1.00 0.00 H new ATOM 0 HD2 PRO A 108 17.468 -9.902 -6.424 1.00 0.00 H new ATOM 0 HD3 PRO A 108 17.196 -8.691 -7.661 1.00 0.00 H new ATOM 1597 N HIS A 109 12.392 -11.212 -6.777 1.00 0.00 N ATOM 1598 CA HIS A 109 11.643 -12.256 -6.087 1.00 0.00 C ATOM 1599 C HIS A 109 11.735 -12.081 -4.574 1.00 0.00 C ATOM 1600 O HIS A 109 11.602 -13.044 -3.819 1.00 0.00 O ATOM 1601 CB HIS A 109 12.167 -13.637 -6.486 1.00 0.00 C ATOM 1602 CG HIS A 109 12.421 -13.780 -7.955 1.00 0.00 C ATOM 1603 ND1 HIS A 109 13.578 -13.772 -8.658 1.00 0.00 N flip ATOM 1604 CD2 HIS A 109 11.413 -13.955 -8.879 1.00 0.00 C flip ATOM 1605 CE1 HIS A 109 13.251 -13.941 -9.981 1.00 0.00 C flip ATOM 1606 NE2 HIS A 109 11.939 -14.050 -10.087 1.00 0.00 N flip ATOM 0 H HIS A 109 11.847 -10.680 -7.455 1.00 0.00 H new ATOM 0 HA HIS A 109 10.597 -12.174 -6.381 1.00 0.00 H new ATOM 0 HB2 HIS A 109 13.092 -13.836 -5.945 1.00 0.00 H new ATOM 0 HB3 HIS A 109 11.447 -14.394 -6.175 1.00 0.00 H new ATOM 0 HD1 HIS A 109 14.517 -13.661 -8.276 1.00 0.00 H new ATOM 0 HD2 HIS A 109 10.359 -14.006 -8.651 1.00 0.00 H new ATOM 0 HE1 HIS A 109 13.952 -13.979 -10.801 1.00 0.00 H new ATOM 1615 N ALA A 110 11.964 -10.847 -4.139 1.00 0.00 N ATOM 1616 CA ALA A 110 12.073 -10.546 -2.717 1.00 0.00 C ATOM 1617 C ALA A 110 10.818 -9.844 -2.207 1.00 0.00 C ATOM 1618 O ALA A 110 10.597 -8.667 -2.489 1.00 0.00 O ATOM 1619 CB ALA A 110 13.303 -9.692 -2.450 1.00 0.00 C ATOM 0 H ALA A 110 12.078 -10.039 -4.751 1.00 0.00 H new ATOM 0 HA ALA A 110 12.175 -11.488 -2.179 1.00 0.00 H new ATOM 0 HB1 ALA A 110 13.371 -9.475 -1.384 1.00 0.00 H new ATOM 0 HB2 ALA A 110 14.196 -10.230 -2.769 1.00 0.00 H new ATOM 0 HB3 ALA A 110 13.225 -8.758 -3.006 1.00 0.00 H new ATOM 1625 N ALA A 111 10.000 -10.575 -1.457 1.00 0.00 N ATOM 1626 CA ALA A 111 8.769 -10.021 -0.907 1.00 0.00 C ATOM 1627 C ALA A 111 9.042 -8.735 -0.135 1.00 0.00 C ATOM 1628 O ALA A 111 10.161 -8.499 0.323 1.00 0.00 O ATOM 1629 CB ALA A 111 8.086 -11.043 -0.010 1.00 0.00 C ATOM 0 H ALA A 111 10.168 -11.552 -1.216 1.00 0.00 H new ATOM 0 HA ALA A 111 8.105 -9.780 -1.737 1.00 0.00 H new ATOM 0 HB1 ALA A 111 7.168 -10.616 0.394 1.00 0.00 H new ATOM 0 HB2 ALA A 111 7.847 -11.934 -0.590 1.00 0.00 H new ATOM 0 HB3 ALA A 111 8.753 -11.311 0.809 1.00 0.00 H new ATOM 1635 N LEU A 112 8.014 -7.905 0.005 1.00 0.00 N ATOM 1636 CA LEU A 112 8.144 -6.641 0.722 1.00 0.00 C ATOM 1637 C LEU A 112 6.819 -6.240 1.363 1.00 0.00 C ATOM 1638 O LEU A 112 5.780 -6.215 0.701 1.00 0.00 O ATOM 1639 CB LEU A 112 8.618 -5.540 -0.228 1.00 0.00 C ATOM 1640 CG LEU A 112 9.893 -5.838 -1.018 1.00 0.00 C ATOM 1641 CD1 LEU A 112 9.941 -5.003 -2.288 1.00 0.00 C ATOM 1642 CD2 LEU A 112 11.124 -5.580 -0.161 1.00 0.00 C ATOM 0 H LEU A 112 7.082 -8.084 -0.368 1.00 0.00 H new ATOM 0 HA LEU A 112 8.883 -6.774 1.512 1.00 0.00 H new ATOM 0 HB2 LEU A 112 7.817 -5.329 -0.936 1.00 0.00 H new ATOM 0 HB3 LEU A 112 8.778 -4.631 0.352 1.00 0.00 H new ATOM 0 HG LEU A 112 9.885 -6.891 -1.300 1.00 0.00 H new ATOM 0 HD11 LEU A 112 10.855 -5.228 -2.837 1.00 0.00 H new ATOM 0 HD12 LEU A 112 9.077 -5.237 -2.910 1.00 0.00 H new ATOM 0 HD13 LEU A 112 9.925 -3.945 -2.028 1.00 0.00 H new ATOM 0 HD21 LEU A 112 12.022 -5.797 -0.739 1.00 0.00 H new ATOM 0 HD22 LEU A 112 11.137 -4.536 0.151 1.00 0.00 H new ATOM 0 HD23 LEU A 112 11.095 -6.222 0.720 1.00 0.00 H new ATOM 1654 N CYS A 113 6.862 -5.927 2.653 1.00 0.00 N ATOM 1655 CA CYS A 113 5.665 -5.525 3.383 1.00 0.00 C ATOM 1656 C CYS A 113 5.373 -4.042 3.175 1.00 0.00 C ATOM 1657 O CYS A 113 6.245 -3.194 3.370 1.00 0.00 O ATOM 1658 CB CYS A 113 5.828 -5.821 4.874 1.00 0.00 C ATOM 1659 SG CYS A 113 5.887 -7.584 5.274 1.00 0.00 S ATOM 0 H CYS A 113 7.713 -5.944 3.215 1.00 0.00 H new ATOM 0 HA CYS A 113 4.824 -6.100 2.996 1.00 0.00 H new ATOM 0 HB2 CYS A 113 6.743 -5.348 5.230 1.00 0.00 H new ATOM 0 HB3 CYS A 113 5.001 -5.364 5.417 1.00 0.00 H new ATOM 0 HG CYS A 113 6.029 -7.733 6.558 1.00 0.00 H new ATOM 1665 N LEU A 114 4.143 -3.737 2.777 1.00 0.00 N ATOM 1666 CA LEU A 114 3.736 -2.356 2.542 1.00 0.00 C ATOM 1667 C LEU A 114 2.491 -2.009 3.352 1.00 0.00 C ATOM 1668 O LEU A 114 1.475 -2.698 3.270 1.00 0.00 O ATOM 1669 CB LEU A 114 3.469 -2.130 1.053 1.00 0.00 C ATOM 1670 CG LEU A 114 4.510 -2.700 0.089 1.00 0.00 C ATOM 1671 CD1 LEU A 114 4.097 -2.451 -1.353 1.00 0.00 C ATOM 1672 CD2 LEU A 114 5.880 -2.096 0.365 1.00 0.00 C ATOM 0 H LEU A 114 3.410 -4.427 2.610 1.00 0.00 H new ATOM 0 HA LEU A 114 4.548 -1.704 2.863 1.00 0.00 H new ATOM 0 HB2 LEU A 114 2.500 -2.565 0.808 1.00 0.00 H new ATOM 0 HB3 LEU A 114 3.390 -1.057 0.878 1.00 0.00 H new ATOM 0 HG LEU A 114 4.571 -3.777 0.247 1.00 0.00 H new ATOM 0 HD11 LEU A 114 4.850 -2.864 -2.024 1.00 0.00 H new ATOM 0 HD12 LEU A 114 3.138 -2.932 -1.545 1.00 0.00 H new ATOM 0 HD13 LEU A 114 4.006 -1.379 -1.525 1.00 0.00 H new ATOM 0 HD21 LEU A 114 6.608 -2.513 -0.330 1.00 0.00 H new ATOM 0 HD22 LEU A 114 5.833 -1.015 0.236 1.00 0.00 H new ATOM 0 HD23 LEU A 114 6.180 -2.327 1.387 1.00 0.00 H new ATOM 1684 N GLU A 115 2.579 -0.936 4.132 1.00 0.00 N ATOM 1685 CA GLU A 115 1.459 -0.498 4.955 1.00 0.00 C ATOM 1686 C GLU A 115 0.723 0.667 4.298 1.00 0.00 C ATOM 1687 O GLU A 115 1.224 1.791 4.261 1.00 0.00 O ATOM 1688 CB GLU A 115 1.949 -0.086 6.345 1.00 0.00 C ATOM 1689 CG GLU A 115 0.836 0.029 7.374 1.00 0.00 C ATOM 1690 CD GLU A 115 1.356 0.348 8.762 1.00 0.00 C ATOM 1691 OE1 GLU A 115 2.285 -0.349 9.222 1.00 0.00 O ATOM 1692 OE2 GLU A 115 0.834 1.294 9.388 1.00 0.00 O ATOM 0 H GLU A 115 3.414 -0.355 4.211 1.00 0.00 H new ATOM 0 HA GLU A 115 0.766 -1.334 5.054 1.00 0.00 H new ATOM 0 HB2 GLU A 115 2.681 -0.815 6.694 1.00 0.00 H new ATOM 0 HB3 GLU A 115 2.464 0.872 6.270 1.00 0.00 H new ATOM 0 HG2 GLU A 115 0.138 0.807 7.064 1.00 0.00 H new ATOM 0 HG3 GLU A 115 0.277 -0.906 7.405 1.00 0.00 H new ATOM 1699 N VAL A 116 -0.469 0.389 3.780 1.00 0.00 N ATOM 1700 CA VAL A 116 -1.275 1.412 3.124 1.00 0.00 C ATOM 1701 C VAL A 116 -2.218 2.086 4.114 1.00 0.00 C ATOM 1702 O VAL A 116 -2.897 1.419 4.896 1.00 0.00 O ATOM 1703 CB VAL A 116 -2.100 0.820 1.966 1.00 0.00 C ATOM 1704 CG1 VAL A 116 -2.777 1.927 1.172 1.00 0.00 C ATOM 1705 CG2 VAL A 116 -1.219 -0.032 1.065 1.00 0.00 C ATOM 0 H VAL A 116 -0.898 -0.536 3.802 1.00 0.00 H new ATOM 0 HA VAL A 116 -0.583 2.153 2.724 1.00 0.00 H new ATOM 0 HB VAL A 116 -2.876 0.180 2.386 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -3.355 1.490 0.358 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -3.441 2.491 1.827 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -2.020 2.595 0.761 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -1.819 -0.442 0.252 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -0.419 0.583 0.652 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -0.787 -0.848 1.645 1.00 0.00 H new ATOM 1715 N THR A 117 -2.258 3.414 4.074 1.00 0.00 N ATOM 1716 CA THR A 117 -3.118 4.180 4.968 1.00 0.00 C ATOM 1717 C THR A 117 -3.862 5.275 4.211 1.00 0.00 C ATOM 1718 O THR A 117 -3.304 6.334 3.924 1.00 0.00 O ATOM 1719 CB THR A 117 -2.311 4.821 6.112 1.00 0.00 C ATOM 1720 OG1 THR A 117 -1.526 3.824 6.776 1.00 0.00 O ATOM 1721 CG2 THR A 117 -3.235 5.496 7.114 1.00 0.00 C ATOM 0 H THR A 117 -1.705 3.982 3.432 1.00 0.00 H new ATOM 0 HA THR A 117 -3.838 3.479 5.390 1.00 0.00 H new ATOM 0 HB THR A 117 -1.652 5.576 5.683 1.00 0.00 H new ATOM 0 HG1 THR A 117 -1.015 4.240 7.501 1.00 0.00 H new ATOM 0 HG21 THR A 117 -2.642 5.942 7.913 1.00 0.00 H new ATOM 0 HG22 THR A 117 -3.810 6.274 6.612 1.00 0.00 H new ATOM 0 HG23 THR A 117 -3.916 4.757 7.536 1.00 0.00 H new ATOM 1729 N LEU A 118 -5.124 5.012 3.890 1.00 0.00 N ATOM 1730 CA LEU A 118 -5.946 5.977 3.167 1.00 0.00 C ATOM 1731 C LEU A 118 -6.309 7.160 4.058 1.00 0.00 C ATOM 1732 O LEU A 118 -7.138 7.041 4.960 1.00 0.00 O ATOM 1733 CB LEU A 118 -7.218 5.305 2.648 1.00 0.00 C ATOM 1734 CG LEU A 118 -7.836 5.916 1.390 1.00 0.00 C ATOM 1735 CD1 LEU A 118 -8.316 7.333 1.666 1.00 0.00 C ATOM 1736 CD2 LEU A 118 -6.834 5.905 0.245 1.00 0.00 C ATOM 0 H LEU A 118 -5.600 4.139 4.119 1.00 0.00 H new ATOM 0 HA LEU A 118 -5.367 6.348 2.321 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -6.995 4.257 2.447 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -7.965 5.325 3.442 1.00 0.00 H new ATOM 0 HG LEU A 118 -8.696 5.312 1.100 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -8.753 7.752 0.760 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -9.067 7.315 2.456 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -7.473 7.948 1.980 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -7.291 6.343 -0.642 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -5.955 6.485 0.525 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -6.538 4.878 0.031 1.00 0.00 H new ATOM 1748 N LYS A 119 -5.684 8.304 3.798 1.00 0.00 N ATOM 1749 CA LYS A 119 -5.943 9.511 4.573 1.00 0.00 C ATOM 1750 C LYS A 119 -7.103 10.302 3.977 1.00 0.00 C ATOM 1751 O LYS A 119 -8.134 10.496 4.622 1.00 0.00 O ATOM 1752 CB LYS A 119 -4.689 10.386 4.626 1.00 0.00 C ATOM 1753 CG LYS A 119 -3.393 9.595 4.595 1.00 0.00 C ATOM 1754 CD LYS A 119 -3.293 8.642 5.774 1.00 0.00 C ATOM 1755 CE LYS A 119 -2.632 9.305 6.973 1.00 0.00 C ATOM 1756 NZ LYS A 119 -1.234 9.723 6.674 1.00 0.00 N ATOM 0 H LYS A 119 -4.994 8.420 3.056 1.00 0.00 H new ATOM 0 HA LYS A 119 -6.213 9.212 5.586 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -4.703 11.077 3.784 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -4.715 10.989 5.534 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -3.332 9.031 3.664 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -2.546 10.281 4.608 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -4.290 8.298 6.051 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -2.721 7.761 5.483 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -3.215 10.175 7.274 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -2.632 8.614 7.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -0.587 9.292 7.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -0.975 9.410 5.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -1.162 10.759 6.731 1.00 0.00 H new ATOM 1770 N THR A 120 -6.929 10.757 2.739 1.00 0.00 N ATOM 1771 CA THR A 120 -7.961 11.527 2.056 1.00 0.00 C ATOM 1772 C THR A 120 -7.957 11.243 0.558 1.00 0.00 C ATOM 1773 O THR A 120 -6.928 10.883 -0.012 1.00 0.00 O ATOM 1774 CB THR A 120 -7.775 13.039 2.281 1.00 0.00 C ATOM 1775 OG1 THR A 120 -6.427 13.417 1.979 1.00 0.00 O ATOM 1776 CG2 THR A 120 -8.104 13.418 3.717 1.00 0.00 C ATOM 0 H THR A 120 -6.083 10.605 2.190 1.00 0.00 H new ATOM 0 HA THR A 120 -8.917 11.220 2.479 1.00 0.00 H new ATOM 0 HB THR A 120 -8.458 13.569 1.617 1.00 0.00 H new ATOM 0 HG1 THR A 120 -6.317 14.380 2.123 1.00 0.00 H new ATOM 0 HG21 THR A 120 -7.965 14.491 3.851 1.00 0.00 H new ATOM 0 HG22 THR A 120 -9.140 13.156 3.934 1.00 0.00 H new ATOM 0 HG23 THR A 120 -7.443 12.879 4.396 1.00 0.00 H new ATOM 1784 N ALA A 121 -9.115 11.408 -0.073 1.00 0.00 N ATOM 1785 CA ALA A 121 -9.244 11.172 -1.506 1.00 0.00 C ATOM 1786 C ALA A 121 -10.006 12.306 -2.183 1.00 0.00 C ATOM 1787 O ALA A 121 -11.215 12.452 -1.998 1.00 0.00 O ATOM 1788 CB ALA A 121 -9.938 9.842 -1.761 1.00 0.00 C ATOM 0 H ALA A 121 -9.977 11.704 0.385 1.00 0.00 H new ATOM 0 HA ALA A 121 -8.243 11.136 -1.935 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -10.028 9.678 -2.835 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -9.353 9.036 -1.319 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -10.931 9.858 -1.312 1.00 0.00 H new ATOM 1794 N VAL A 122 -9.292 13.108 -2.966 1.00 0.00 N ATOM 1795 CA VAL A 122 -9.901 14.229 -3.671 1.00 0.00 C ATOM 1796 C VAL A 122 -9.454 14.271 -5.128 1.00 0.00 C ATOM 1797 O VAL A 122 -8.570 13.518 -5.538 1.00 0.00 O ATOM 1798 CB VAL A 122 -9.552 15.571 -2.999 1.00 0.00 C ATOM 1799 CG1 VAL A 122 -10.016 15.580 -1.551 1.00 0.00 C ATOM 1800 CG2 VAL A 122 -8.057 15.838 -3.091 1.00 0.00 C ATOM 0 H VAL A 122 -8.291 13.002 -3.128 1.00 0.00 H new ATOM 0 HA VAL A 122 -10.980 14.080 -3.630 1.00 0.00 H new ATOM 0 HB VAL A 122 -10.074 16.369 -3.527 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -9.761 16.536 -1.093 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -11.096 15.437 -1.514 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -9.524 14.774 -1.006 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -7.827 16.790 -2.612 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -7.513 15.038 -2.589 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -7.758 15.878 -4.139 1.00 0.00 H new ATOM 1810 N ASP A 123 -10.069 15.156 -5.905 1.00 0.00 N ATOM 1811 CA ASP A 123 -9.734 15.297 -7.317 1.00 0.00 C ATOM 1812 C ASP A 123 -8.671 16.374 -7.517 1.00 0.00 C ATOM 1813 O ASP A 123 -7.798 16.246 -8.375 1.00 0.00 O ATOM 1814 CB ASP A 123 -10.984 15.640 -8.128 1.00 0.00 C ATOM 1815 CG ASP A 123 -10.790 15.412 -9.614 1.00 0.00 C ATOM 1816 OD1 ASP A 123 -9.829 15.974 -10.180 1.00 0.00 O ATOM 1817 OD2 ASP A 123 -11.599 14.672 -10.211 1.00 0.00 O ATOM 0 H ASP A 123 -10.802 15.787 -5.581 1.00 0.00 H new ATOM 0 HA ASP A 123 -9.333 14.346 -7.667 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -11.819 15.034 -7.776 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -11.251 16.683 -7.955 1.00 0.00 H new ATOM 1822 N ARG A 124 -8.753 17.435 -6.721 1.00 0.00 N ATOM 1823 CA ARG A 124 -7.801 18.535 -6.813 1.00 0.00 C ATOM 1824 C ARG A 124 -6.384 18.053 -6.516 1.00 0.00 C ATOM 1825 O ARG A 124 -6.159 17.198 -5.658 1.00 0.00 O ATOM 1826 CB ARG A 124 -8.185 19.652 -5.841 1.00 0.00 C ATOM 1827 CG ARG A 124 -9.217 20.618 -6.401 1.00 0.00 C ATOM 1828 CD ARG A 124 -10.634 20.148 -6.110 1.00 0.00 C ATOM 1829 NE ARG A 124 -11.161 19.303 -7.178 1.00 0.00 N ATOM 1830 CZ ARG A 124 -11.645 19.778 -8.320 1.00 0.00 C ATOM 1831 NH1 ARG A 124 -11.668 21.085 -8.541 1.00 0.00 N ATOM 1832 NH2 ARG A 124 -12.106 18.945 -9.244 1.00 0.00 N ATOM 0 H ARG A 124 -9.469 17.556 -6.005 1.00 0.00 H new ATOM 0 HA ARG A 124 -7.829 18.923 -7.831 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -8.575 19.207 -4.925 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -7.289 20.209 -5.568 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -9.064 21.607 -5.968 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -9.079 20.716 -7.478 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -10.647 19.595 -5.171 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -11.283 21.014 -5.979 1.00 0.00 H new ATOM 0 HE ARG A 124 -11.157 18.292 -7.039 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -11.313 21.728 -7.833 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -12.040 21.447 -9.419 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -12.089 17.939 -9.078 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -12.478 19.311 -10.121 1.00 0.00 H new