USER MOD reduce.3.24.130724 H: found=0, std=0, add=877, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 877 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 66 THR OG1 : rot 180:sc= -0.852 USER MOD Set 1.2: A 115 THR OG1 : rot -87:sc= -0.404 USER MOD Set 2.1: A 69 SER OG : rot 175:sc= 0.0262 USER MOD Set 2.2: A 112 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 34 SER OG : rot 123:sc= 2.59 USER MOD Set 3.2: A 41 GLN : amide:sc= -1.48 K(o=1.1,f=-0.56) USER MOD Single : A 8 THR OG1 : rot -170:sc= 0 USER MOD Single : A 10 THR OG1 : rot -130:sc= 0.421 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 162:sc= 0.111 USER MOD Single : A 15 THR OG1 : rot -49:sc= 0.572 USER MOD Single : A 18 HIS : no HD1:sc= -0.153 X(o=-0.15,f=-0.43) USER MOD Single : A 22 LYS NZ :NH3+ 158:sc= -0.0668 (180deg=-0.461) USER MOD Single : A 27 ASN : amide:sc= 0.135 K(o=0.14,f=-2.7!) USER MOD Single : A 30 THR OG1 : rot 160:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 90:sc= 0.246 USER MOD Single : A 44 TYR OH : rot 180:sc= -0.0768 USER MOD Single : A 46 ASN : amide:sc= -3.47! C(o=-3.5!,f=-9.2!) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0.142 USER MOD Single : A 51 GLN : amide:sc= -0.13 K(o=-0.13,f=-2.5!) USER MOD Single : A 52 SER OG : rot 33:sc= 0.00578 USER MOD Single : A 54 SER OG : rot 180:sc= 0.024 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -3.54! C(o=-3.5!,f=-6.6!) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -7.25! C(o=-7.2!,f=-10!) USER MOD Single : A 73 SER OG : rot -157:sc= -0.336 USER MOD Single : A 74 ASN : amide:sc= -3.37! C(o=-3.4!,f=-6.7!) USER MOD Single : A 76 SER OG : rot -25:sc= 0.669 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -2.07 K(o=-2.1,f=-2.6) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.363 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot -61:sc= 0.605 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot -72:sc= 0.109 USER MOD Single : A 105 ASN : amide:sc= -0.299 X(o=-0.3,f=-0.38) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 118 THR OG1 : rot 180:sc= -1.72 USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 TYR OH : rot -21:sc= -3.04! USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 130 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 99 N ALA A 7 -2.892 -8.167 -7.506 1.00 0.00 N ATOM 100 CA ALA A 7 -4.214 -7.620 -7.232 1.00 0.00 C ATOM 101 C ALA A 7 -4.194 -6.730 -5.993 1.00 0.00 C ATOM 102 O ALA A 7 -3.632 -7.097 -4.961 1.00 0.00 O ATOM 103 CB ALA A 7 -5.226 -8.744 -7.061 1.00 0.00 C ATOM 0 HA ALA A 7 -4.510 -7.007 -8.083 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -6.209 -8.320 -6.857 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -5.269 -9.337 -7.975 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -4.925 -9.381 -6.229 1.00 0.00 H new ATOM 109 N THR A 8 -4.812 -5.557 -6.102 1.00 0.00 N ATOM 110 CA THR A 8 -4.863 -4.614 -4.992 1.00 0.00 C ATOM 111 C THR A 8 -6.206 -3.897 -4.941 1.00 0.00 C ATOM 112 O THR A 8 -7.027 -4.030 -5.850 1.00 0.00 O ATOM 113 CB THR A 8 -3.738 -3.568 -5.091 1.00 0.00 C ATOM 114 OG1 THR A 8 -4.225 -2.383 -5.732 1.00 0.00 O ATOM 115 CG2 THR A 8 -2.552 -4.120 -5.870 1.00 0.00 C ATOM 0 H THR A 8 -5.284 -5.238 -6.948 1.00 0.00 H new ATOM 0 HA THR A 8 -4.730 -5.194 -4.079 1.00 0.00 H new ATOM 0 HB THR A 8 -3.409 -3.325 -4.081 1.00 0.00 H new ATOM 0 HG1 THR A 8 -3.473 -1.788 -5.933 1.00 0.00 H new ATOM 0 HG21 THR A 8 -1.770 -3.363 -5.927 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.165 -5.005 -5.365 1.00 0.00 H new ATOM 0 HG23 THR A 8 -2.871 -4.388 -6.877 1.00 0.00 H new ATOM 123 N ALA A 9 -6.425 -3.135 -3.875 1.00 0.00 N ATOM 124 CA ALA A 9 -7.669 -2.393 -3.709 1.00 0.00 C ATOM 125 C ALA A 9 -7.470 -1.181 -2.806 1.00 0.00 C ATOM 126 O ALA A 9 -6.589 -1.173 -1.945 1.00 0.00 O ATOM 127 CB ALA A 9 -8.754 -3.300 -3.145 1.00 0.00 C ATOM 0 H ALA A 9 -5.757 -3.015 -3.113 1.00 0.00 H new ATOM 0 HA ALA A 9 -7.982 -2.035 -4.690 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -9.677 -2.733 -3.026 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -8.925 -4.132 -3.829 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -8.438 -3.686 -2.176 1.00 0.00 H new ATOM 133 N THR A 10 -8.291 -0.156 -3.008 1.00 0.00 N ATOM 134 CA THR A 10 -8.203 1.063 -2.213 1.00 0.00 C ATOM 135 C THR A 10 -9.584 1.658 -1.964 1.00 0.00 C ATOM 136 O THR A 10 -10.583 1.178 -2.499 1.00 0.00 O ATOM 137 CB THR A 10 -7.318 2.120 -2.902 1.00 0.00 C ATOM 138 OG1 THR A 10 -8.001 2.669 -4.033 1.00 0.00 O ATOM 139 CG2 THR A 10 -5.997 1.512 -3.347 1.00 0.00 C ATOM 0 H THR A 10 -9.025 -0.145 -3.716 1.00 0.00 H new ATOM 0 HA THR A 10 -7.752 0.787 -1.260 1.00 0.00 H new ATOM 0 HB THR A 10 -7.111 2.913 -2.183 1.00 0.00 H new ATOM 0 HG1 THR A 10 -7.413 2.640 -4.816 1.00 0.00 H new ATOM 0 HG21 THR A 10 -5.389 2.277 -3.831 1.00 0.00 H new ATOM 0 HG22 THR A 10 -5.466 1.121 -2.479 1.00 0.00 H new ATOM 0 HG23 THR A 10 -6.188 0.702 -4.051 1.00 0.00 H new ATOM 147 N SER A 11 -9.634 2.707 -1.149 1.00 0.00 N ATOM 148 CA SER A 11 -10.894 3.366 -0.826 1.00 0.00 C ATOM 149 C SER A 11 -11.256 4.396 -1.891 1.00 0.00 C ATOM 150 O SER A 11 -12.418 4.524 -2.278 1.00 0.00 O ATOM 151 CB SER A 11 -10.804 4.041 0.544 1.00 0.00 C ATOM 152 OG SER A 11 -11.945 4.844 0.791 1.00 0.00 O ATOM 0 H SER A 11 -8.816 3.119 -0.700 1.00 0.00 H new ATOM 0 HA SER A 11 -11.676 2.608 -0.798 1.00 0.00 H new ATOM 0 HB2 SER A 11 -10.714 3.283 1.322 1.00 0.00 H new ATOM 0 HB3 SER A 11 -9.905 4.656 0.592 1.00 0.00 H new ATOM 0 HG SER A 11 -11.865 5.264 1.673 1.00 0.00 H new ATOM 158 N SER A 12 -10.253 5.130 -2.362 1.00 0.00 N ATOM 159 CA SER A 12 -10.464 6.152 -3.379 1.00 0.00 C ATOM 160 C SER A 12 -9.714 5.807 -4.661 1.00 0.00 C ATOM 161 O SER A 12 -8.736 5.057 -4.639 1.00 0.00 O ATOM 162 CB SER A 12 -10.010 7.519 -2.862 1.00 0.00 C ATOM 163 OG SER A 12 -11.099 8.422 -2.784 1.00 0.00 O ATOM 0 H SER A 12 -9.285 5.035 -2.055 1.00 0.00 H new ATOM 0 HA SER A 12 -11.530 6.191 -3.602 1.00 0.00 H new ATOM 0 HB2 SER A 12 -9.556 7.406 -1.878 1.00 0.00 H new ATOM 0 HB3 SER A 12 -9.244 7.925 -3.522 1.00 0.00 H new ATOM 0 HG SER A 12 -10.861 9.172 -2.199 1.00 0.00 H new ATOM 169 N ILE A 13 -10.178 6.357 -5.779 1.00 0.00 N ATOM 170 CA ILE A 13 -9.551 6.109 -7.070 1.00 0.00 C ATOM 171 C ILE A 13 -10.167 6.982 -8.158 1.00 0.00 C ATOM 172 O ILE A 13 -11.295 7.456 -8.022 1.00 0.00 O ATOM 173 CB ILE A 13 -9.679 4.630 -7.483 1.00 0.00 C ATOM 174 CG1 ILE A 13 -8.912 4.372 -8.782 1.00 0.00 C ATOM 175 CG2 ILE A 13 -11.143 4.249 -7.640 1.00 0.00 C ATOM 176 CD1 ILE A 13 -8.454 2.939 -8.937 1.00 0.00 C ATOM 0 H ILE A 13 -10.987 6.978 -5.815 1.00 0.00 H new ATOM 0 HA ILE A 13 -8.496 6.359 -6.961 1.00 0.00 H new ATOM 0 HB ILE A 13 -9.245 4.010 -6.699 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -9.547 4.636 -9.628 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -8.043 5.029 -8.818 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -11.217 3.201 -7.932 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -11.662 4.399 -6.693 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -11.601 4.873 -8.408 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -7.918 2.828 -9.879 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -7.793 2.677 -8.111 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -9.320 2.278 -8.933 1.00 0.00 H new ATOM 188 N GLU A 14 -9.419 7.191 -9.236 1.00 0.00 N ATOM 189 CA GLU A 14 -9.892 8.007 -10.348 1.00 0.00 C ATOM 190 C GLU A 14 -10.622 7.151 -11.380 1.00 0.00 C ATOM 191 O GLU A 14 -11.651 7.556 -11.924 1.00 0.00 O ATOM 192 CB GLU A 14 -8.721 8.736 -11.010 1.00 0.00 C ATOM 193 CG GLU A 14 -8.370 10.055 -10.342 1.00 0.00 C ATOM 194 CD GLU A 14 -8.154 11.174 -11.342 1.00 0.00 C ATOM 195 OE1 GLU A 14 -9.158 11.740 -11.825 1.00 0.00 O ATOM 196 OE2 GLU A 14 -6.982 11.486 -11.643 1.00 0.00 O ATOM 0 H GLU A 14 -8.483 6.807 -9.363 1.00 0.00 H new ATOM 0 HA GLU A 14 -10.591 8.743 -9.952 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -7.845 8.087 -10.996 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -8.964 8.921 -12.056 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -9.169 10.335 -9.656 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -7.467 9.927 -9.745 1.00 0.00 H new ATOM 203 N THR A 15 -10.083 5.966 -11.644 1.00 0.00 N ATOM 204 CA THR A 15 -10.679 5.053 -12.611 1.00 0.00 C ATOM 205 C THR A 15 -11.713 4.150 -11.948 1.00 0.00 C ATOM 206 O THR A 15 -11.962 3.035 -12.408 1.00 0.00 O ATOM 207 CB THR A 15 -9.610 4.178 -13.292 1.00 0.00 C ATOM 208 OG1 THR A 15 -10.179 3.496 -14.415 1.00 0.00 O ATOM 209 CG2 THR A 15 -9.038 3.163 -12.314 1.00 0.00 C ATOM 0 H THR A 15 -9.234 5.615 -11.201 1.00 0.00 H new ATOM 0 HA THR A 15 -11.168 5.668 -13.367 1.00 0.00 H new ATOM 0 HB THR A 15 -8.803 4.827 -13.631 1.00 0.00 H new ATOM 0 HG1 THR A 15 -11.020 3.071 -14.147 1.00 0.00 H new ATOM 0 HG21 THR A 15 -8.285 2.557 -12.818 1.00 0.00 H new ATOM 0 HG22 THR A 15 -8.581 3.685 -11.474 1.00 0.00 H new ATOM 0 HG23 THR A 15 -9.838 2.519 -11.949 1.00 0.00 H new ATOM 217 N ALA A 16 -12.313 4.638 -10.868 1.00 0.00 N ATOM 218 CA ALA A 16 -13.322 3.875 -10.144 1.00 0.00 C ATOM 219 C ALA A 16 -12.882 2.428 -9.949 1.00 0.00 C ATOM 220 O ALA A 16 -13.704 1.513 -9.949 1.00 0.00 O ATOM 221 CB ALA A 16 -14.653 3.929 -10.879 1.00 0.00 C ATOM 0 H ALA A 16 -12.118 5.559 -10.475 1.00 0.00 H new ATOM 0 HA ALA A 16 -13.444 4.326 -9.159 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -15.397 3.355 -10.327 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -14.982 4.965 -10.961 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -14.535 3.506 -11.877 1.00 0.00 H new ATOM 227 N GLY A 17 -11.578 2.228 -9.784 1.00 0.00 N ATOM 228 CA GLY A 17 -11.051 0.889 -9.592 1.00 0.00 C ATOM 229 C GLY A 17 -10.636 0.237 -10.896 1.00 0.00 C ATOM 230 O GLY A 17 -11.482 -0.211 -11.671 1.00 0.00 O ATOM 0 H GLY A 17 -10.877 2.969 -9.780 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -10.193 0.932 -8.922 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -11.805 0.271 -9.104 1.00 0.00 H new ATOM 234 N HIS A 18 -9.331 0.182 -11.140 1.00 0.00 N ATOM 235 CA HIS A 18 -8.805 -0.419 -12.360 1.00 0.00 C ATOM 236 C HIS A 18 -7.290 -0.256 -12.438 1.00 0.00 C ATOM 237 O HIS A 18 -6.594 -1.102 -12.998 1.00 0.00 O ATOM 238 CB HIS A 18 -9.462 0.212 -13.589 1.00 0.00 C ATOM 239 CG HIS A 18 -10.073 -0.788 -14.521 1.00 0.00 C ATOM 240 ND1 HIS A 18 -10.804 -1.874 -14.086 1.00 0.00 N ATOM 241 CD2 HIS A 18 -10.061 -0.862 -15.873 1.00 0.00 C ATOM 242 CE1 HIS A 18 -11.214 -2.573 -15.130 1.00 0.00 C ATOM 243 NE2 HIS A 18 -10.776 -1.980 -16.226 1.00 0.00 N ATOM 0 H HIS A 18 -8.618 0.547 -10.509 1.00 0.00 H new ATOM 0 HA HIS A 18 -9.037 -1.484 -12.340 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -10.233 0.909 -13.261 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -8.716 0.793 -14.131 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -9.579 -0.170 -16.548 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -11.806 -3.475 -15.093 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -10.942 -2.301 -17.180 1.00 0.00 H new ATOM 251 N GLU A 19 -6.788 0.837 -11.872 1.00 0.00 N ATOM 252 CA GLU A 19 -5.356 1.111 -11.880 1.00 0.00 C ATOM 253 C GLU A 19 -4.606 0.114 -11.001 1.00 0.00 C ATOM 254 O GLU A 19 -3.500 -0.312 -11.330 1.00 0.00 O ATOM 255 CB GLU A 19 -5.083 2.537 -11.397 1.00 0.00 C ATOM 256 CG GLU A 19 -5.212 3.585 -12.490 1.00 0.00 C ATOM 257 CD GLU A 19 -4.366 3.265 -13.708 1.00 0.00 C ATOM 258 OE1 GLU A 19 -3.398 2.487 -13.570 1.00 0.00 O ATOM 259 OE2 GLU A 19 -4.671 3.791 -14.798 1.00 0.00 O ATOM 0 H GLU A 19 -7.351 1.546 -11.403 1.00 0.00 H new ATOM 0 HA GLU A 19 -4.999 1.007 -12.905 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.776 2.778 -10.591 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -4.078 2.583 -10.978 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -6.257 3.666 -12.789 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.918 4.557 -12.093 1.00 0.00 H new ATOM 266 N GLY A 20 -5.218 -0.255 -9.880 1.00 0.00 N ATOM 267 CA GLY A 20 -4.596 -1.199 -8.970 1.00 0.00 C ATOM 268 C GLY A 20 -4.285 -2.526 -9.633 1.00 0.00 C ATOM 269 O GLY A 20 -3.178 -3.048 -9.504 1.00 0.00 O ATOM 0 H GLY A 20 -6.134 0.083 -9.586 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -3.675 -0.768 -8.578 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -5.256 -1.368 -8.119 1.00 0.00 H new ATOM 273 N ASP A 21 -5.265 -3.072 -10.345 1.00 0.00 N ATOM 274 CA ASP A 21 -5.091 -4.347 -11.032 1.00 0.00 C ATOM 275 C ASP A 21 -4.336 -4.159 -12.343 1.00 0.00 C ATOM 276 O ASP A 21 -4.019 -5.128 -13.036 1.00 0.00 O ATOM 277 CB ASP A 21 -6.449 -4.995 -11.300 1.00 0.00 C ATOM 278 CG ASP A 21 -6.326 -6.318 -12.032 1.00 0.00 C ATOM 279 OD1 ASP A 21 -6.054 -7.340 -11.370 1.00 0.00 O ATOM 280 OD2 ASP A 21 -6.500 -6.328 -13.270 1.00 0.00 O ATOM 0 H ASP A 21 -6.187 -2.652 -10.462 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.505 -5.002 -10.387 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.966 -5.154 -10.353 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.064 -4.314 -11.888 1.00 0.00 H new ATOM 285 N LYS A 22 -4.050 -2.906 -12.682 1.00 0.00 N ATOM 286 CA LYS A 22 -3.331 -2.590 -13.911 1.00 0.00 C ATOM 287 C LYS A 22 -1.826 -2.748 -13.718 1.00 0.00 C ATOM 288 O LYS A 22 -1.051 -2.609 -14.663 1.00 0.00 O ATOM 289 CB LYS A 22 -3.651 -1.163 -14.360 1.00 0.00 C ATOM 290 CG LYS A 22 -4.350 -1.090 -15.706 1.00 0.00 C ATOM 291 CD LYS A 22 -3.374 -0.765 -16.824 1.00 0.00 C ATOM 292 CE LYS A 22 -4.097 -0.285 -18.073 1.00 0.00 C ATOM 293 NZ LYS A 22 -4.779 1.020 -17.852 1.00 0.00 N ATOM 0 H LYS A 22 -4.305 -2.092 -12.122 1.00 0.00 H new ATOM 0 HA LYS A 22 -3.655 -3.289 -14.682 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -4.280 -0.687 -13.608 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.725 -0.591 -14.410 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -4.840 -2.041 -15.915 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -5.131 -0.330 -15.671 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -2.677 0.003 -16.488 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -2.783 -1.650 -17.062 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -3.383 -0.188 -18.891 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -4.831 -1.031 -18.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -4.933 1.490 -18.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -5.695 0.859 -17.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -4.186 1.624 -17.248 1.00 0.00 H new ATOM 307 N ALA A 23 -1.420 -3.042 -12.486 1.00 0.00 N ATOM 308 CA ALA A 23 -0.009 -3.222 -12.171 1.00 0.00 C ATOM 309 C ALA A 23 0.450 -4.641 -12.494 1.00 0.00 C ATOM 310 O ALA A 23 1.602 -5.002 -12.254 1.00 0.00 O ATOM 311 CB ALA A 23 0.250 -2.904 -10.705 1.00 0.00 C ATOM 0 H ALA A 23 -2.048 -3.160 -11.691 1.00 0.00 H new ATOM 0 HA ALA A 23 0.566 -2.532 -12.789 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.308 -3.043 -10.484 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.031 -1.871 -10.502 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.342 -3.571 -10.078 1.00 0.00 H new ATOM 317 N VAL A 24 -0.461 -5.442 -13.037 1.00 0.00 N ATOM 318 CA VAL A 24 -0.151 -6.821 -13.393 1.00 0.00 C ATOM 319 C VAL A 24 1.149 -6.904 -14.186 1.00 0.00 C ATOM 320 O VAL A 24 1.881 -7.891 -14.095 1.00 0.00 O ATOM 321 CB VAL A 24 -1.285 -7.457 -14.220 1.00 0.00 C ATOM 322 CG1 VAL A 24 -0.863 -8.820 -14.746 1.00 0.00 C ATOM 323 CG2 VAL A 24 -2.553 -7.566 -13.387 1.00 0.00 C ATOM 0 H VAL A 24 -1.420 -5.159 -13.240 1.00 0.00 H new ATOM 0 HA VAL A 24 -0.040 -7.372 -12.459 1.00 0.00 H new ATOM 0 HB VAL A 24 -1.493 -6.814 -15.075 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.677 -9.253 -15.327 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.017 -8.709 -15.380 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.626 -9.476 -13.908 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -3.344 -8.017 -13.986 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -2.361 -8.187 -12.512 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -2.864 -6.572 -13.065 1.00 0.00 H new ATOM 333 N ASP A 25 1.430 -5.864 -14.962 1.00 0.00 N ATOM 334 CA ASP A 25 2.643 -5.818 -15.771 1.00 0.00 C ATOM 335 C ASP A 25 3.881 -6.034 -14.906 1.00 0.00 C ATOM 336 O ASP A 25 4.834 -6.693 -15.321 1.00 0.00 O ATOM 337 CB ASP A 25 2.744 -4.479 -16.502 1.00 0.00 C ATOM 338 CG ASP A 25 1.475 -4.134 -17.257 1.00 0.00 C ATOM 339 OD1 ASP A 25 1.181 -4.811 -18.265 1.00 0.00 O ATOM 340 OD2 ASP A 25 0.775 -3.188 -16.839 1.00 0.00 O ATOM 0 H ASP A 25 0.834 -5.041 -15.048 1.00 0.00 H new ATOM 0 HA ASP A 25 2.590 -6.621 -16.506 1.00 0.00 H new ATOM 0 HB2 ASP A 25 2.960 -3.690 -15.781 1.00 0.00 H new ATOM 0 HB3 ASP A 25 3.581 -4.511 -17.200 1.00 0.00 H new ATOM 345 N GLY A 26 3.860 -5.474 -13.700 1.00 0.00 N ATOM 346 CA GLY A 26 4.986 -5.616 -12.797 1.00 0.00 C ATOM 347 C GLY A 26 6.129 -4.683 -13.144 1.00 0.00 C ATOM 348 O GLY A 26 7.295 -5.017 -12.939 1.00 0.00 O ATOM 0 H GLY A 26 3.083 -4.925 -13.333 1.00 0.00 H new ATOM 0 HA2 GLY A 26 4.657 -5.418 -11.777 1.00 0.00 H new ATOM 0 HA3 GLY A 26 5.341 -6.646 -12.823 1.00 0.00 H new ATOM 352 N ASN A 27 5.795 -3.511 -13.673 1.00 0.00 N ATOM 353 CA ASN A 27 6.802 -2.527 -14.053 1.00 0.00 C ATOM 354 C ASN A 27 6.256 -1.110 -13.920 1.00 0.00 C ATOM 355 O ASN A 27 5.199 -0.893 -13.329 1.00 0.00 O ATOM 356 CB ASN A 27 7.270 -2.773 -15.489 1.00 0.00 C ATOM 357 CG ASN A 27 8.767 -2.593 -15.649 1.00 0.00 C ATOM 358 OD1 ASN A 27 9.383 -1.780 -14.960 1.00 0.00 O ATOM 359 ND2 ASN A 27 9.360 -3.351 -16.564 1.00 0.00 N ATOM 0 H ASN A 27 4.834 -3.219 -13.849 1.00 0.00 H new ATOM 0 HA ASN A 27 7.651 -2.635 -13.378 1.00 0.00 H new ATOM 0 HB2 ASN A 27 6.994 -3.784 -15.790 1.00 0.00 H new ATOM 0 HB3 ASN A 27 6.751 -2.088 -16.160 1.00 0.00 H new ATOM 0 HD21 ASN A 27 10.365 -3.272 -16.718 1.00 0.00 H new ATOM 0 HD22 ASN A 27 8.810 -4.012 -17.113 1.00 0.00 H new ATOM 366 N ALA A 28 6.986 -0.146 -14.474 1.00 0.00 N ATOM 367 CA ALA A 28 6.574 1.251 -14.419 1.00 0.00 C ATOM 368 C ALA A 28 5.478 1.540 -15.439 1.00 0.00 C ATOM 369 O ALA A 28 4.983 2.664 -15.530 1.00 0.00 O ATOM 370 CB ALA A 28 7.769 2.163 -14.652 1.00 0.00 C ATOM 0 H ALA A 28 7.865 -0.308 -14.966 1.00 0.00 H new ATOM 0 HA ALA A 28 6.170 1.447 -13.426 1.00 0.00 H new ATOM 0 HB1 ALA A 28 7.447 3.203 -14.608 1.00 0.00 H new ATOM 0 HB2 ALA A 28 8.520 1.983 -13.882 1.00 0.00 H new ATOM 0 HB3 ALA A 28 8.198 1.957 -15.633 1.00 0.00 H new ATOM 376 N ALA A 29 5.105 0.521 -16.205 1.00 0.00 N ATOM 377 CA ALA A 29 4.066 0.666 -17.217 1.00 0.00 C ATOM 378 C ALA A 29 2.713 0.958 -16.579 1.00 0.00 C ATOM 379 O ALA A 29 1.760 1.338 -17.261 1.00 0.00 O ATOM 380 CB ALA A 29 3.988 -0.587 -18.076 1.00 0.00 C ATOM 0 H ALA A 29 5.507 -0.415 -16.144 1.00 0.00 H new ATOM 0 HA ALA A 29 4.328 1.513 -17.851 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.208 -0.465 -18.828 1.00 0.00 H new ATOM 0 HB2 ALA A 29 4.946 -0.750 -18.570 1.00 0.00 H new ATOM 0 HB3 ALA A 29 3.754 -1.446 -17.447 1.00 0.00 H new ATOM 386 N THR A 30 2.633 0.779 -15.264 1.00 0.00 N ATOM 387 CA THR A 30 1.396 1.020 -14.533 1.00 0.00 C ATOM 388 C THR A 30 1.481 2.307 -13.720 1.00 0.00 C ATOM 389 O THR A 30 2.504 2.595 -13.100 1.00 0.00 O ATOM 390 CB THR A 30 1.064 -0.150 -13.588 1.00 0.00 C ATOM 391 OG1 THR A 30 0.055 0.248 -12.652 1.00 0.00 O ATOM 392 CG2 THR A 30 2.305 -0.609 -12.838 1.00 0.00 C ATOM 0 H THR A 30 3.412 0.468 -14.683 1.00 0.00 H new ATOM 0 HA THR A 30 0.603 1.113 -15.275 1.00 0.00 H new ATOM 0 HB THR A 30 0.695 -0.981 -14.190 1.00 0.00 H new ATOM 0 HG1 THR A 30 -0.378 -0.548 -12.279 1.00 0.00 H new ATOM 0 HG21 THR A 30 2.046 -1.436 -12.177 1.00 0.00 H new ATOM 0 HG22 THR A 30 3.060 -0.938 -13.552 1.00 0.00 H new ATOM 0 HG23 THR A 30 2.700 0.218 -12.247 1.00 0.00 H new ATOM 400 N ARG A 31 0.398 3.079 -13.728 1.00 0.00 N ATOM 401 CA ARG A 31 0.350 4.336 -12.991 1.00 0.00 C ATOM 402 C ARG A 31 -0.984 4.493 -12.269 1.00 0.00 C ATOM 403 O ARG A 31 -2.037 4.579 -12.902 1.00 0.00 O ATOM 404 CB ARG A 31 0.572 5.516 -13.940 1.00 0.00 C ATOM 405 CG ARG A 31 1.807 5.373 -14.812 1.00 0.00 C ATOM 406 CD ARG A 31 1.443 4.970 -16.233 1.00 0.00 C ATOM 407 NE ARG A 31 0.759 6.043 -16.948 1.00 0.00 N ATOM 408 CZ ARG A 31 0.518 6.019 -18.253 1.00 0.00 C ATOM 409 NH1 ARG A 31 0.904 4.982 -18.983 1.00 0.00 N ATOM 410 NH2 ARG A 31 -0.110 7.035 -18.832 1.00 0.00 N ATOM 0 H ARG A 31 -0.457 2.855 -14.237 1.00 0.00 H new ATOM 0 HA ARG A 31 1.146 4.323 -12.246 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -0.303 5.626 -14.580 1.00 0.00 H new ATOM 0 HB3 ARG A 31 0.655 6.431 -13.354 1.00 0.00 H new ATOM 0 HG2 ARG A 31 2.353 6.316 -14.829 1.00 0.00 H new ATOM 0 HG3 ARG A 31 2.474 4.626 -14.381 1.00 0.00 H new ATOM 0 HD2 ARG A 31 2.348 4.693 -16.774 1.00 0.00 H new ATOM 0 HD3 ARG A 31 0.804 4.087 -16.207 1.00 0.00 H new ATOM 0 HE ARG A 31 0.449 6.856 -16.416 1.00 0.00 H new ATOM 0 HH11 ARG A 31 1.388 4.200 -18.542 1.00 0.00 H new ATOM 0 HH12 ARG A 31 0.717 4.966 -19.986 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -0.408 7.835 -18.274 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -0.295 7.016 -19.835 1.00 0.00 H new ATOM 424 N TRP A 32 -0.933 4.529 -10.943 1.00 0.00 N ATOM 425 CA TRP A 32 -2.138 4.674 -10.135 1.00 0.00 C ATOM 426 C TRP A 32 -2.494 6.145 -9.948 1.00 0.00 C ATOM 427 O TRP A 32 -1.615 6.986 -9.758 1.00 0.00 O ATOM 428 CB TRP A 32 -1.947 4.006 -8.772 1.00 0.00 C ATOM 429 CG TRP A 32 -3.061 4.292 -7.809 1.00 0.00 C ATOM 430 CD1 TRP A 32 -3.213 5.410 -7.041 1.00 0.00 C ATOM 431 CD2 TRP A 32 -4.175 3.442 -7.511 1.00 0.00 C ATOM 432 NE1 TRP A 32 -4.355 5.309 -6.284 1.00 0.00 N ATOM 433 CE2 TRP A 32 -4.963 4.111 -6.555 1.00 0.00 C ATOM 434 CE3 TRP A 32 -4.584 2.185 -7.962 1.00 0.00 C ATOM 435 CZ2 TRP A 32 -6.135 3.562 -6.041 1.00 0.00 C ATOM 436 CZ3 TRP A 32 -5.747 1.641 -7.450 1.00 0.00 C ATOM 437 CH2 TRP A 32 -6.511 2.329 -6.498 1.00 0.00 C ATOM 0 H TRP A 32 -0.070 4.460 -10.404 1.00 0.00 H new ATOM 0 HA TRP A 32 -2.958 4.184 -10.660 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -1.865 2.928 -8.912 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -1.006 4.344 -8.338 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -2.535 6.251 -7.030 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -4.695 6.011 -5.627 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -4.003 1.648 -8.697 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -6.726 4.091 -5.308 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -6.072 0.669 -7.790 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -7.415 1.877 -6.117 1.00 0.00 H new ATOM 448 N ALA A 33 -3.786 6.449 -10.002 1.00 0.00 N ATOM 449 CA ALA A 33 -4.257 7.819 -9.837 1.00 0.00 C ATOM 450 C ALA A 33 -5.514 7.867 -8.973 1.00 0.00 C ATOM 451 O ALA A 33 -6.530 7.257 -9.306 1.00 0.00 O ATOM 452 CB ALA A 33 -4.521 8.453 -11.193 1.00 0.00 C ATOM 0 H ALA A 33 -4.526 5.765 -10.159 1.00 0.00 H new ATOM 0 HA ALA A 33 -3.477 8.387 -9.329 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -4.872 9.476 -11.054 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -3.600 8.461 -11.776 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -5.280 7.877 -11.722 1.00 0.00 H new ATOM 458 N SER A 34 -5.436 8.594 -7.864 1.00 0.00 N ATOM 459 CA SER A 34 -6.566 8.718 -6.951 1.00 0.00 C ATOM 460 C SER A 34 -7.399 9.953 -7.281 1.00 0.00 C ATOM 461 O SER A 34 -6.883 10.942 -7.801 1.00 0.00 O ATOM 462 CB SER A 34 -6.075 8.792 -5.505 1.00 0.00 C ATOM 463 OG SER A 34 -5.789 7.501 -4.996 1.00 0.00 O ATOM 0 H SER A 34 -4.602 9.106 -7.576 1.00 0.00 H new ATOM 0 HA SER A 34 -7.194 7.835 -7.069 1.00 0.00 H new ATOM 0 HB2 SER A 34 -5.181 9.413 -5.453 1.00 0.00 H new ATOM 0 HB3 SER A 34 -6.832 9.271 -4.885 1.00 0.00 H new ATOM 0 HG SER A 34 -4.861 7.471 -4.683 1.00 0.00 H new ATOM 469 N ALA A 35 -8.691 9.888 -6.975 1.00 0.00 N ATOM 470 CA ALA A 35 -9.595 11.001 -7.237 1.00 0.00 C ATOM 471 C ALA A 35 -9.744 11.888 -6.006 1.00 0.00 C ATOM 472 O ALA A 35 -10.788 12.506 -5.797 1.00 0.00 O ATOM 473 CB ALA A 35 -10.954 10.481 -7.683 1.00 0.00 C ATOM 0 H ALA A 35 -9.135 9.076 -6.545 1.00 0.00 H new ATOM 0 HA ALA A 35 -9.168 11.605 -8.038 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -11.620 11.322 -7.876 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -10.838 9.894 -8.594 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -11.379 9.854 -6.899 1.00 0.00 H new ATOM 479 N TYR A 36 -8.695 11.946 -5.194 1.00 0.00 N ATOM 480 CA TYR A 36 -8.710 12.757 -3.982 1.00 0.00 C ATOM 481 C TYR A 36 -10.024 12.582 -3.227 1.00 0.00 C ATOM 482 O TYR A 36 -10.818 11.696 -3.536 1.00 0.00 O ATOM 483 CB TYR A 36 -8.500 14.232 -4.326 1.00 0.00 C ATOM 484 CG TYR A 36 -9.558 14.796 -5.246 1.00 0.00 C ATOM 485 CD1 TYR A 36 -10.769 15.255 -4.745 1.00 0.00 C ATOM 486 CD2 TYR A 36 -9.348 14.869 -6.618 1.00 0.00 C ATOM 487 CE1 TYR A 36 -11.740 15.770 -5.581 1.00 0.00 C ATOM 488 CE2 TYR A 36 -10.313 15.385 -7.462 1.00 0.00 C ATOM 489 CZ TYR A 36 -11.507 15.834 -6.939 1.00 0.00 C ATOM 490 OH TYR A 36 -12.472 16.347 -7.777 1.00 0.00 O ATOM 0 H TYR A 36 -7.823 11.441 -5.353 1.00 0.00 H new ATOM 0 HA TYR A 36 -7.895 12.421 -3.341 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -8.485 14.813 -3.404 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -7.523 14.352 -4.794 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -10.955 15.208 -3.682 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -8.415 14.516 -7.032 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -12.677 16.121 -5.174 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -10.133 15.436 -8.526 1.00 0.00 H new ATOM 0 HH TYR A 36 -12.149 16.322 -8.702 1.00 0.00 H new ATOM 500 N GLY A 37 -10.246 13.437 -2.233 1.00 0.00 N ATOM 501 CA GLY A 37 -11.464 13.361 -1.448 1.00 0.00 C ATOM 502 C GLY A 37 -11.586 12.055 -0.690 1.00 0.00 C ATOM 503 O GLY A 37 -10.948 11.064 -1.042 1.00 0.00 O ATOM 0 H GLY A 37 -9.604 14.180 -1.958 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -11.489 14.191 -0.742 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -12.325 13.477 -2.107 1.00 0.00 H new ATOM 507 N ALA A 38 -12.406 12.054 0.356 1.00 0.00 N ATOM 508 CA ALA A 38 -12.610 10.859 1.166 1.00 0.00 C ATOM 509 C ALA A 38 -11.320 10.447 1.870 1.00 0.00 C ATOM 510 O ALA A 38 -10.949 9.273 1.868 1.00 0.00 O ATOM 511 CB ALA A 38 -13.130 9.719 0.303 1.00 0.00 C ATOM 0 H ALA A 38 -12.940 12.867 0.662 1.00 0.00 H new ATOM 0 HA ALA A 38 -13.353 11.089 1.930 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -13.278 8.833 0.921 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -14.079 10.008 -0.149 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -12.407 9.498 -0.482 1.00 0.00 H new ATOM 517 N SER A 39 -10.642 11.420 2.469 1.00 0.00 N ATOM 518 CA SER A 39 -9.391 11.159 3.172 1.00 0.00 C ATOM 519 C SER A 39 -9.641 10.945 4.663 1.00 0.00 C ATOM 520 O SER A 39 -10.680 11.321 5.204 1.00 0.00 O ATOM 521 CB SER A 39 -8.414 12.318 2.967 1.00 0.00 C ATOM 522 OG SER A 39 -8.276 13.083 4.152 1.00 0.00 O ATOM 0 H SER A 39 -10.937 12.396 2.482 1.00 0.00 H new ATOM 0 HA SER A 39 -8.954 10.249 2.760 1.00 0.00 H new ATOM 0 HB2 SER A 39 -7.441 11.929 2.666 1.00 0.00 H new ATOM 0 HB3 SER A 39 -8.767 12.956 2.157 1.00 0.00 H new ATOM 0 HG SER A 39 -7.546 12.717 4.694 1.00 0.00 H new ATOM 528 N PRO A 40 -8.664 10.326 5.343 1.00 0.00 N ATOM 529 CA PRO A 40 -7.422 9.874 4.708 1.00 0.00 C ATOM 530 C PRO A 40 -7.647 8.696 3.767 1.00 0.00 C ATOM 531 O PRO A 40 -8.712 8.077 3.778 1.00 0.00 O ATOM 532 CB PRO A 40 -6.551 9.453 5.894 1.00 0.00 C ATOM 533 CG PRO A 40 -7.520 9.104 6.971 1.00 0.00 C ATOM 534 CD PRO A 40 -8.697 10.021 6.782 1.00 0.00 C ATOM 0 HA PRO A 40 -6.975 10.651 4.088 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -5.919 8.602 5.639 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -5.888 10.260 6.205 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -7.824 8.060 6.899 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -7.074 9.240 7.956 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -9.632 9.539 7.069 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -8.604 10.923 7.386 1.00 0.00 H new ATOM 542 N GLN A 41 -6.640 8.390 2.957 1.00 0.00 N ATOM 543 CA GLN A 41 -6.729 7.285 2.010 1.00 0.00 C ATOM 544 C GLN A 41 -5.795 6.147 2.410 1.00 0.00 C ATOM 545 O GLN A 41 -5.024 6.271 3.362 1.00 0.00 O ATOM 546 CB GLN A 41 -6.390 7.766 0.598 1.00 0.00 C ATOM 547 CG GLN A 41 -7.610 7.964 -0.287 1.00 0.00 C ATOM 548 CD GLN A 41 -7.244 8.291 -1.721 1.00 0.00 C ATOM 549 OE1 GLN A 41 -7.256 9.454 -2.128 1.00 0.00 O ATOM 550 NE2 GLN A 41 -6.915 7.265 -2.497 1.00 0.00 N ATOM 0 H GLN A 41 -5.752 8.892 2.937 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.753 6.912 2.023 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -5.844 8.707 0.665 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -5.724 7.043 0.127 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -8.218 7.060 -0.269 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.223 8.768 0.120 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -6.918 6.318 -2.119 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -6.659 7.424 -3.471 1.00 0.00 H new ATOM 559 N TRP A 42 -5.870 5.042 1.678 1.00 0.00 N ATOM 560 CA TRP A 42 -5.031 3.882 1.958 1.00 0.00 C ATOM 561 C TRP A 42 -5.132 2.854 0.837 1.00 0.00 C ATOM 562 O TRP A 42 -6.136 2.795 0.126 1.00 0.00 O ATOM 563 CB TRP A 42 -5.434 3.244 3.289 1.00 0.00 C ATOM 564 CG TRP A 42 -6.864 2.795 3.323 1.00 0.00 C ATOM 565 CD1 TRP A 42 -7.971 3.589 3.390 1.00 0.00 C ATOM 566 CD2 TRP A 42 -7.337 1.443 3.294 1.00 0.00 C ATOM 567 NE1 TRP A 42 -9.107 2.815 3.404 1.00 0.00 N ATOM 568 CE2 TRP A 42 -8.744 1.494 3.346 1.00 0.00 C ATOM 569 CE3 TRP A 42 -6.711 0.197 3.228 1.00 0.00 C ATOM 570 CZ2 TRP A 42 -9.532 0.346 3.334 1.00 0.00 C ATOM 571 CZ3 TRP A 42 -7.493 -0.943 3.217 1.00 0.00 C ATOM 572 CH2 TRP A 42 -8.891 -0.861 3.269 1.00 0.00 C ATOM 0 H TRP A 42 -6.503 4.924 0.887 1.00 0.00 H new ATOM 0 HA TRP A 42 -3.997 4.220 2.024 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -4.787 2.389 3.484 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -5.266 3.961 4.093 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -7.957 4.668 3.427 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -10.064 3.166 3.450 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -5.634 0.125 3.186 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -10.610 0.406 3.375 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -7.019 -1.912 3.168 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -9.475 -1.770 3.258 1.00 0.00 H new ATOM 583 N ILE A 43 -4.088 2.048 0.683 1.00 0.00 N ATOM 584 CA ILE A 43 -4.060 1.022 -0.352 1.00 0.00 C ATOM 585 C ILE A 43 -3.476 -0.282 0.182 1.00 0.00 C ATOM 586 O ILE A 43 -2.398 -0.294 0.776 1.00 0.00 O ATOM 587 CB ILE A 43 -3.241 1.477 -1.574 1.00 0.00 C ATOM 588 CG1 ILE A 43 -3.142 0.345 -2.598 1.00 0.00 C ATOM 589 CG2 ILE A 43 -1.854 1.931 -1.143 1.00 0.00 C ATOM 590 CD1 ILE A 43 -2.984 0.831 -4.022 1.00 0.00 C ATOM 0 H ILE A 43 -3.249 2.085 1.262 1.00 0.00 H new ATOM 0 HA ILE A 43 -5.092 0.855 -0.659 1.00 0.00 H new ATOM 0 HB ILE A 43 -3.750 2.321 -2.040 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -2.294 -0.291 -2.344 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -4.037 -0.274 -2.531 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.287 2.250 -2.018 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.944 2.764 -0.446 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -1.336 1.105 -0.656 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -2.920 -0.025 -4.694 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -3.844 1.443 -4.295 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -2.074 1.426 -4.105 1.00 0.00 H new ATOM 602 N TYR A 44 -4.194 -1.378 -0.036 1.00 0.00 N ATOM 603 CA TYR A 44 -3.747 -2.688 0.423 1.00 0.00 C ATOM 604 C TYR A 44 -3.569 -3.645 -0.751 1.00 0.00 C ATOM 605 O TYR A 44 -4.249 -3.528 -1.771 1.00 0.00 O ATOM 606 CB TYR A 44 -4.747 -3.270 1.423 1.00 0.00 C ATOM 607 CG TYR A 44 -5.975 -3.866 0.772 1.00 0.00 C ATOM 608 CD1 TYR A 44 -5.987 -5.189 0.347 1.00 0.00 C ATOM 609 CD2 TYR A 44 -7.123 -3.107 0.585 1.00 0.00 C ATOM 610 CE1 TYR A 44 -7.106 -5.738 -0.248 1.00 0.00 C ATOM 611 CE2 TYR A 44 -8.248 -3.648 -0.008 1.00 0.00 C ATOM 612 CZ TYR A 44 -8.234 -4.964 -0.424 1.00 0.00 C ATOM 613 OH TYR A 44 -9.352 -5.508 -1.014 1.00 0.00 O ATOM 0 H TYR A 44 -5.088 -1.386 -0.528 1.00 0.00 H new ATOM 0 HA TYR A 44 -2.783 -2.563 0.915 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -4.251 -4.039 2.015 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -5.056 -2.485 2.114 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -5.106 -5.798 0.484 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -7.137 -2.077 0.908 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -7.098 -6.768 -0.574 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -9.133 -3.044 -0.145 1.00 0.00 H new ATOM 0 HH TYR A 44 -10.059 -4.831 -1.062 1.00 0.00 H new ATOM 623 N ILE A 45 -2.649 -4.593 -0.599 1.00 0.00 N ATOM 624 CA ILE A 45 -2.382 -5.572 -1.645 1.00 0.00 C ATOM 625 C ILE A 45 -2.615 -6.992 -1.141 1.00 0.00 C ATOM 626 O ILE A 45 -2.136 -7.370 -0.074 1.00 0.00 O ATOM 627 CB ILE A 45 -0.939 -5.456 -2.169 1.00 0.00 C ATOM 628 CG1 ILE A 45 -0.706 -4.075 -2.787 1.00 0.00 C ATOM 629 CG2 ILE A 45 -0.655 -6.551 -3.186 1.00 0.00 C ATOM 630 CD1 ILE A 45 0.652 -3.924 -3.435 1.00 0.00 C ATOM 0 H ILE A 45 -2.077 -4.703 0.238 1.00 0.00 H new ATOM 0 HA ILE A 45 -3.074 -5.360 -2.460 1.00 0.00 H new ATOM 0 HB ILE A 45 -0.253 -5.579 -1.330 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.478 -3.885 -3.532 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -0.816 -3.316 -2.012 1.00 0.00 H new ATOM 0 HG21 ILE A 45 0.369 -6.455 -3.547 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.785 -7.526 -2.717 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.345 -6.457 -4.024 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.747 -2.921 -3.851 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.431 -4.082 -2.689 1.00 0.00 H new ATOM 0 HD13 ILE A 45 0.758 -4.660 -4.232 1.00 0.00 H new ATOM 642 N ASN A 46 -3.355 -7.776 -1.919 1.00 0.00 N ATOM 643 CA ASN A 46 -3.652 -9.156 -1.553 1.00 0.00 C ATOM 644 C ASN A 46 -2.670 -10.117 -2.214 1.00 0.00 C ATOM 645 O ASN A 46 -2.303 -9.946 -3.378 1.00 0.00 O ATOM 646 CB ASN A 46 -5.084 -9.516 -1.954 1.00 0.00 C ATOM 647 CG ASN A 46 -5.415 -9.078 -3.368 1.00 0.00 C ATOM 648 OD1 ASN A 46 -5.041 -9.737 -4.337 1.00 0.00 O ATOM 649 ND2 ASN A 46 -6.121 -7.961 -3.490 1.00 0.00 N ATOM 0 H ASN A 46 -3.760 -7.479 -2.807 1.00 0.00 H new ATOM 0 HA ASN A 46 -3.551 -9.248 -0.472 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -5.223 -10.594 -1.868 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -5.782 -9.049 -1.259 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -6.375 -7.617 -4.416 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -6.410 -7.447 -2.658 1.00 0.00 H new ATOM 656 N LEU A 47 -2.246 -11.130 -1.466 1.00 0.00 N ATOM 657 CA LEU A 47 -1.306 -12.121 -1.979 1.00 0.00 C ATOM 658 C LEU A 47 -1.990 -13.470 -2.176 1.00 0.00 C ATOM 659 O LEU A 47 -1.963 -14.039 -3.266 1.00 0.00 O ATOM 660 CB LEU A 47 -0.121 -12.271 -1.024 1.00 0.00 C ATOM 661 CG LEU A 47 1.187 -12.762 -1.648 1.00 0.00 C ATOM 662 CD1 LEU A 47 2.379 -12.086 -0.990 1.00 0.00 C ATOM 663 CD2 LEU A 47 1.297 -14.276 -1.533 1.00 0.00 C ATOM 0 H LEU A 47 -2.538 -11.287 -0.501 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.943 -11.774 -2.947 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.065 -11.306 -0.553 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.404 -12.963 -0.231 1.00 0.00 H new ATOM 0 HG LEU A 47 1.185 -12.498 -2.705 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.300 -12.448 -1.447 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.306 -11.007 -1.126 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.387 -12.318 0.075 1.00 0.00 H new ATOM 0 HD21 LEU A 47 2.233 -14.608 -1.982 1.00 0.00 H new ATOM 0 HD22 LEU A 47 1.277 -14.563 -0.482 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.460 -14.742 -2.053 1.00 0.00 H new ATOM 675 N GLY A 48 -2.606 -13.976 -1.112 1.00 0.00 N ATOM 676 CA GLY A 48 -3.290 -15.253 -1.188 1.00 0.00 C ATOM 677 C GLY A 48 -2.781 -16.247 -0.163 1.00 0.00 C ATOM 678 O GLY A 48 -3.483 -17.191 0.199 1.00 0.00 O ATOM 0 H GLY A 48 -2.643 -13.524 -0.198 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -4.359 -15.098 -1.040 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -3.164 -15.670 -2.187 1.00 0.00 H new ATOM 682 N SER A 49 -1.555 -16.035 0.305 1.00 0.00 N ATOM 683 CA SER A 49 -0.950 -16.923 1.291 1.00 0.00 C ATOM 684 C SER A 49 0.122 -16.193 2.095 1.00 0.00 C ATOM 685 O SER A 49 0.531 -15.085 1.744 1.00 0.00 O ATOM 686 CB SER A 49 -0.342 -18.145 0.601 1.00 0.00 C ATOM 687 OG SER A 49 0.498 -17.760 -0.473 1.00 0.00 O ATOM 0 H SER A 49 -0.962 -15.257 0.018 1.00 0.00 H new ATOM 0 HA SER A 49 -1.732 -17.252 1.976 1.00 0.00 H new ATOM 0 HB2 SER A 49 0.230 -18.727 1.323 1.00 0.00 H new ATOM 0 HB3 SER A 49 -1.138 -18.791 0.230 1.00 0.00 H new ATOM 0 HG SER A 49 0.875 -18.559 -0.896 1.00 0.00 H new ATOM 693 N THR A 50 0.572 -16.820 3.177 1.00 0.00 N ATOM 694 CA THR A 50 1.594 -16.231 4.032 1.00 0.00 C ATOM 695 C THR A 50 2.954 -16.233 3.344 1.00 0.00 C ATOM 696 O THR A 50 3.458 -17.283 2.948 1.00 0.00 O ATOM 697 CB THR A 50 1.708 -16.984 5.372 1.00 0.00 C ATOM 698 OG1 THR A 50 0.943 -18.193 5.321 1.00 0.00 O ATOM 699 CG2 THR A 50 1.219 -16.116 6.522 1.00 0.00 C ATOM 0 H THR A 50 0.244 -17.736 3.482 1.00 0.00 H new ATOM 0 HA THR A 50 1.289 -15.203 4.226 1.00 0.00 H new ATOM 0 HB THR A 50 2.757 -17.226 5.540 1.00 0.00 H new ATOM 0 HG1 THR A 50 1.022 -18.666 6.175 1.00 0.00 H new ATOM 0 HG21 THR A 50 1.309 -16.668 7.458 1.00 0.00 H new ATOM 0 HG22 THR A 50 1.822 -15.210 6.576 1.00 0.00 H new ATOM 0 HG23 THR A 50 0.175 -15.848 6.357 1.00 0.00 H new ATOM 707 N GLN A 51 3.544 -15.050 3.206 1.00 0.00 N ATOM 708 CA GLN A 51 4.847 -14.917 2.566 1.00 0.00 C ATOM 709 C GLN A 51 5.818 -14.152 3.460 1.00 0.00 C ATOM 710 O GLN A 51 5.426 -13.226 4.171 1.00 0.00 O ATOM 711 CB GLN A 51 4.707 -14.204 1.220 1.00 0.00 C ATOM 712 CG GLN A 51 5.059 -15.080 0.028 1.00 0.00 C ATOM 713 CD GLN A 51 6.010 -14.398 -0.936 1.00 0.00 C ATOM 714 OE1 GLN A 51 6.061 -13.170 -1.012 1.00 0.00 O ATOM 715 NE2 GLN A 51 6.769 -15.193 -1.681 1.00 0.00 N ATOM 0 H GLN A 51 3.140 -14.171 3.529 1.00 0.00 H new ATOM 0 HA GLN A 51 5.245 -15.918 2.400 1.00 0.00 H new ATOM 0 HB2 GLN A 51 3.682 -13.851 1.110 1.00 0.00 H new ATOM 0 HB3 GLN A 51 5.350 -13.324 1.216 1.00 0.00 H new ATOM 0 HG2 GLN A 51 5.510 -16.006 0.383 1.00 0.00 H new ATOM 0 HG3 GLN A 51 4.145 -15.352 -0.500 1.00 0.00 H new ATOM 0 HE21 GLN A 51 6.694 -16.206 -1.585 1.00 0.00 H new ATOM 0 HE22 GLN A 51 7.427 -14.791 -2.349 1.00 0.00 H new ATOM 724 N SER A 52 7.087 -14.546 3.421 1.00 0.00 N ATOM 725 CA SER A 52 8.113 -13.901 4.231 1.00 0.00 C ATOM 726 C SER A 52 8.581 -12.602 3.582 1.00 0.00 C ATOM 727 O SER A 52 8.865 -12.562 2.385 1.00 0.00 O ATOM 728 CB SER A 52 9.303 -14.842 4.430 1.00 0.00 C ATOM 729 OG SER A 52 9.824 -15.274 3.186 1.00 0.00 O ATOM 0 H SER A 52 7.429 -15.309 2.837 1.00 0.00 H new ATOM 0 HA SER A 52 7.678 -13.666 5.203 1.00 0.00 H new ATOM 0 HB2 SER A 52 10.082 -14.333 4.997 1.00 0.00 H new ATOM 0 HB3 SER A 52 8.993 -15.706 5.018 1.00 0.00 H new ATOM 0 HG SER A 52 9.726 -14.558 2.524 1.00 0.00 H new ATOM 735 N ILE A 53 8.658 -11.544 4.381 1.00 0.00 N ATOM 736 CA ILE A 53 9.093 -10.243 3.885 1.00 0.00 C ATOM 737 C ILE A 53 10.085 -9.593 4.843 1.00 0.00 C ATOM 738 O ILE A 53 10.057 -9.843 6.047 1.00 0.00 O ATOM 739 CB ILE A 53 7.899 -9.292 3.678 1.00 0.00 C ATOM 740 CG1 ILE A 53 6.614 -10.093 3.453 1.00 0.00 C ATOM 741 CG2 ILE A 53 8.161 -8.361 2.504 1.00 0.00 C ATOM 742 CD1 ILE A 53 5.408 -9.229 3.158 1.00 0.00 C ATOM 0 H ILE A 53 8.425 -11.561 5.374 1.00 0.00 H new ATOM 0 HA ILE A 53 9.579 -10.418 2.925 1.00 0.00 H new ATOM 0 HB ILE A 53 7.775 -8.687 4.576 1.00 0.00 H new ATOM 0 HG12 ILE A 53 6.767 -10.785 2.625 1.00 0.00 H new ATOM 0 HG13 ILE A 53 6.411 -10.696 4.338 1.00 0.00 H new ATOM 0 HG21 ILE A 53 7.308 -7.695 2.370 1.00 0.00 H new ATOM 0 HG22 ILE A 53 9.056 -7.770 2.701 1.00 0.00 H new ATOM 0 HG23 ILE A 53 8.307 -8.950 1.598 1.00 0.00 H new ATOM 0 HD11 ILE A 53 4.534 -9.863 3.010 1.00 0.00 H new ATOM 0 HD12 ILE A 53 5.229 -8.555 3.996 1.00 0.00 H new ATOM 0 HD13 ILE A 53 5.590 -8.645 2.256 1.00 0.00 H new ATOM 754 N SER A 54 10.963 -8.756 4.298 1.00 0.00 N ATOM 755 CA SER A 54 11.966 -8.070 5.103 1.00 0.00 C ATOM 756 C SER A 54 11.746 -6.561 5.077 1.00 0.00 C ATOM 757 O SER A 54 11.461 -5.946 6.105 1.00 0.00 O ATOM 758 CB SER A 54 13.371 -8.401 4.594 1.00 0.00 C ATOM 759 OG SER A 54 13.423 -8.367 3.180 1.00 0.00 O ATOM 0 H SER A 54 10.999 -8.537 3.302 1.00 0.00 H new ATOM 0 HA SER A 54 11.868 -8.415 6.132 1.00 0.00 H new ATOM 0 HB2 SER A 54 14.087 -7.689 5.004 1.00 0.00 H new ATOM 0 HB3 SER A 54 13.666 -9.389 4.948 1.00 0.00 H new ATOM 0 HG SER A 54 14.332 -8.580 2.881 1.00 0.00 H new ATOM 765 N ARG A 55 11.881 -5.970 3.894 1.00 0.00 N ATOM 766 CA ARG A 55 11.699 -4.533 3.733 1.00 0.00 C ATOM 767 C ARG A 55 10.848 -4.227 2.504 1.00 0.00 C ATOM 768 O ARG A 55 10.977 -4.880 1.469 1.00 0.00 O ATOM 769 CB ARG A 55 13.056 -3.835 3.614 1.00 0.00 C ATOM 770 CG ARG A 55 13.940 -4.406 2.517 1.00 0.00 C ATOM 771 CD ARG A 55 15.306 -4.803 3.053 1.00 0.00 C ATOM 772 NE ARG A 55 15.863 -5.947 2.336 1.00 0.00 N ATOM 773 CZ ARG A 55 16.888 -6.665 2.783 1.00 0.00 C ATOM 774 NH1 ARG A 55 17.461 -6.361 3.939 1.00 0.00 N ATOM 775 NH2 ARG A 55 17.338 -7.692 2.074 1.00 0.00 N ATOM 0 H ARG A 55 12.116 -6.465 3.033 1.00 0.00 H new ATOM 0 HA ARG A 55 11.181 -4.157 4.615 1.00 0.00 H new ATOM 0 HB2 ARG A 55 12.894 -2.774 3.423 1.00 0.00 H new ATOM 0 HB3 ARG A 55 13.579 -3.911 4.567 1.00 0.00 H new ATOM 0 HG2 ARG A 55 13.455 -5.276 2.073 1.00 0.00 H new ATOM 0 HG3 ARG A 55 14.060 -3.668 1.724 1.00 0.00 H new ATOM 0 HD2 ARG A 55 15.988 -3.957 2.971 1.00 0.00 H new ATOM 0 HD3 ARG A 55 15.224 -5.044 4.113 1.00 0.00 H new ATOM 0 HE ARG A 55 15.443 -6.209 1.444 1.00 0.00 H new ATOM 0 HH11 ARG A 55 17.115 -5.574 4.488 1.00 0.00 H new ATOM 0 HH12 ARG A 55 18.248 -6.914 4.279 1.00 0.00 H new ATOM 0 HH21 ARG A 55 16.897 -7.931 1.186 1.00 0.00 H new ATOM 0 HH22 ARG A 55 18.125 -8.243 2.417 1.00 0.00 H new ATOM 789 N VAL A 56 9.977 -3.230 2.627 1.00 0.00 N ATOM 790 CA VAL A 56 9.104 -2.838 1.526 1.00 0.00 C ATOM 791 C VAL A 56 9.217 -1.344 1.242 1.00 0.00 C ATOM 792 O VAL A 56 9.213 -0.524 2.160 1.00 0.00 O ATOM 793 CB VAL A 56 7.634 -3.183 1.825 1.00 0.00 C ATOM 794 CG1 VAL A 56 7.224 -2.642 3.186 1.00 0.00 C ATOM 795 CG2 VAL A 56 6.727 -2.641 0.731 1.00 0.00 C ATOM 0 H VAL A 56 9.857 -2.679 3.477 1.00 0.00 H new ATOM 0 HA VAL A 56 9.429 -3.398 0.649 1.00 0.00 H new ATOM 0 HB VAL A 56 7.531 -4.268 1.847 1.00 0.00 H new ATOM 0 HG11 VAL A 56 6.182 -2.896 3.380 1.00 0.00 H new ATOM 0 HG12 VAL A 56 7.854 -3.083 3.958 1.00 0.00 H new ATOM 0 HG13 VAL A 56 7.342 -1.558 3.197 1.00 0.00 H new ATOM 0 HG21 VAL A 56 5.691 -2.894 0.958 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.832 -1.558 0.675 1.00 0.00 H new ATOM 0 HG23 VAL A 56 7.007 -3.083 -0.225 1.00 0.00 H new ATOM 805 N LYS A 57 9.316 -0.996 -0.036 1.00 0.00 N ATOM 806 CA LYS A 57 9.427 0.400 -0.443 1.00 0.00 C ATOM 807 C LYS A 57 8.351 0.756 -1.463 1.00 0.00 C ATOM 808 O LYS A 57 8.137 0.031 -2.436 1.00 0.00 O ATOM 809 CB LYS A 57 10.813 0.671 -1.033 1.00 0.00 C ATOM 810 CG LYS A 57 10.938 2.036 -1.689 1.00 0.00 C ATOM 811 CD LYS A 57 10.729 1.953 -3.192 1.00 0.00 C ATOM 812 CE LYS A 57 12.048 2.034 -3.944 1.00 0.00 C ATOM 813 NZ LYS A 57 11.853 1.961 -5.418 1.00 0.00 N ATOM 0 H LYS A 57 9.322 -1.662 -0.809 1.00 0.00 H new ATOM 0 HA LYS A 57 9.286 1.023 0.440 1.00 0.00 H new ATOM 0 HB2 LYS A 57 11.558 0.588 -0.242 1.00 0.00 H new ATOM 0 HB3 LYS A 57 11.042 -0.099 -1.769 1.00 0.00 H new ATOM 0 HG2 LYS A 57 10.206 2.717 -1.256 1.00 0.00 H new ATOM 0 HG3 LYS A 57 11.923 2.452 -1.480 1.00 0.00 H new ATOM 0 HD2 LYS A 57 10.225 1.019 -3.439 1.00 0.00 H new ATOM 0 HD3 LYS A 57 10.075 2.763 -3.515 1.00 0.00 H new ATOM 0 HE2 LYS A 57 12.554 2.966 -3.691 1.00 0.00 H new ATOM 0 HE3 LYS A 57 12.699 1.221 -3.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 12.776 2.020 -5.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 11.394 1.061 -5.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 11.253 2.752 -5.728 1.00 0.00 H new ATOM 827 N LEU A 58 7.675 1.877 -1.237 1.00 0.00 N ATOM 828 CA LEU A 58 6.621 2.331 -2.137 1.00 0.00 C ATOM 829 C LEU A 58 6.747 3.825 -2.415 1.00 0.00 C ATOM 830 O LEU A 58 7.384 4.556 -1.656 1.00 0.00 O ATOM 831 CB LEU A 58 5.246 2.027 -1.540 1.00 0.00 C ATOM 832 CG LEU A 58 4.945 2.670 -0.185 1.00 0.00 C ATOM 833 CD1 LEU A 58 3.794 3.657 -0.307 1.00 0.00 C ATOM 834 CD2 LEU A 58 4.629 1.604 0.853 1.00 0.00 C ATOM 0 H LEU A 58 7.838 2.489 -0.437 1.00 0.00 H new ATOM 0 HA LEU A 58 6.728 1.794 -3.080 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.484 2.350 -2.250 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.148 0.946 -1.437 1.00 0.00 H new ATOM 0 HG LEU A 58 5.831 3.215 0.142 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.594 4.105 0.666 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.059 4.439 -1.018 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.903 3.135 -0.657 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.418 2.080 1.811 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.759 1.031 0.533 1.00 0.00 H new ATOM 0 HD23 LEU A 58 5.484 0.936 0.961 1.00 0.00 H new ATOM 846 N ASN A 59 6.137 4.273 -3.507 1.00 0.00 N ATOM 847 CA ASN A 59 6.180 5.681 -3.884 1.00 0.00 C ATOM 848 C ASN A 59 4.844 6.362 -3.600 1.00 0.00 C ATOM 849 O ASN A 59 3.802 5.709 -3.554 1.00 0.00 O ATOM 850 CB ASN A 59 6.533 5.823 -5.366 1.00 0.00 C ATOM 851 CG ASN A 59 5.897 7.047 -5.997 1.00 0.00 C ATOM 852 OD1 ASN A 59 4.707 7.049 -6.313 1.00 0.00 O ATOM 853 ND2 ASN A 59 6.689 8.095 -6.184 1.00 0.00 N ATOM 0 H ASN A 59 5.607 3.681 -4.147 1.00 0.00 H new ATOM 0 HA ASN A 59 6.950 6.168 -3.286 1.00 0.00 H new ATOM 0 HB2 ASN A 59 7.616 5.883 -5.475 1.00 0.00 H new ATOM 0 HB3 ASN A 59 6.208 4.931 -5.901 1.00 0.00 H new ATOM 0 HD21 ASN A 59 6.317 8.947 -6.605 1.00 0.00 H new ATOM 0 HD22 ASN A 59 7.670 8.049 -5.907 1.00 0.00 H new ATOM 860 N TRP A 60 4.885 7.676 -3.410 1.00 0.00 N ATOM 861 CA TRP A 60 3.677 8.445 -3.132 1.00 0.00 C ATOM 862 C TRP A 60 3.393 9.437 -4.254 1.00 0.00 C ATOM 863 O TRP A 60 2.304 10.006 -4.330 1.00 0.00 O ATOM 864 CB TRP A 60 3.816 9.188 -1.802 1.00 0.00 C ATOM 865 CG TRP A 60 2.626 9.029 -0.905 1.00 0.00 C ATOM 866 CD1 TRP A 60 1.511 9.816 -0.876 1.00 0.00 C ATOM 867 CD2 TRP A 60 2.435 8.021 0.093 1.00 0.00 C ATOM 868 NE1 TRP A 60 0.637 9.358 0.081 1.00 0.00 N ATOM 869 CE2 TRP A 60 1.180 8.258 0.688 1.00 0.00 C ATOM 870 CE3 TRP A 60 3.199 6.940 0.542 1.00 0.00 C ATOM 871 CZ2 TRP A 60 0.677 7.454 1.707 1.00 0.00 C ATOM 872 CZ3 TRP A 60 2.698 6.143 1.553 1.00 0.00 C ATOM 873 CH2 TRP A 60 1.446 6.403 2.127 1.00 0.00 C ATOM 0 H TRP A 60 5.740 8.231 -3.443 1.00 0.00 H new ATOM 0 HA TRP A 60 2.840 7.749 -3.067 1.00 0.00 H new ATOM 0 HB2 TRP A 60 4.704 8.826 -1.283 1.00 0.00 H new ATOM 0 HB3 TRP A 60 3.973 10.248 -2.001 1.00 0.00 H new ATOM 0 HD1 TRP A 60 1.341 10.672 -1.511 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -0.269 9.771 0.303 1.00 0.00 H new ATOM 0 HE3 TRP A 60 4.165 6.731 0.106 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -0.287 7.653 2.151 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 3.281 5.306 1.907 1.00 0.00 H new ATOM 0 HH2 TRP A 60 1.081 5.762 2.916 1.00 0.00 H new ATOM 884 N GLU A 61 4.377 9.639 -5.124 1.00 0.00 N ATOM 885 CA GLU A 61 4.231 10.563 -6.242 1.00 0.00 C ATOM 886 C GLU A 61 4.049 11.994 -5.745 1.00 0.00 C ATOM 887 O GLU A 61 4.348 12.305 -4.592 1.00 0.00 O ATOM 888 CB GLU A 61 3.038 10.159 -7.113 1.00 0.00 C ATOM 889 CG GLU A 61 3.400 9.932 -8.571 1.00 0.00 C ATOM 890 CD GLU A 61 4.313 11.009 -9.121 1.00 0.00 C ATOM 891 OE1 GLU A 61 3.840 12.148 -9.314 1.00 0.00 O ATOM 892 OE2 GLU A 61 5.503 10.713 -9.358 1.00 0.00 O ATOM 0 H GLU A 61 5.284 9.175 -5.076 1.00 0.00 H new ATOM 0 HA GLU A 61 5.141 10.517 -6.840 1.00 0.00 H new ATOM 0 HB2 GLU A 61 2.597 9.247 -6.710 1.00 0.00 H new ATOM 0 HB3 GLU A 61 2.275 10.935 -7.053 1.00 0.00 H new ATOM 0 HG2 GLU A 61 3.886 8.962 -8.674 1.00 0.00 H new ATOM 0 HG3 GLU A 61 2.488 9.896 -9.166 1.00 0.00 H new ATOM 899 N ASP A 62 3.559 12.862 -6.623 1.00 0.00 N ATOM 900 CA ASP A 62 3.337 14.260 -6.275 1.00 0.00 C ATOM 901 C ASP A 62 2.633 14.379 -4.927 1.00 0.00 C ATOM 902 O ASP A 62 2.933 15.274 -4.136 1.00 0.00 O ATOM 903 CB ASP A 62 2.510 14.954 -7.359 1.00 0.00 C ATOM 904 CG ASP A 62 3.375 15.627 -8.406 1.00 0.00 C ATOM 905 OD1 ASP A 62 4.278 16.398 -8.021 1.00 0.00 O ATOM 906 OD2 ASP A 62 3.150 15.383 -9.610 1.00 0.00 O ATOM 0 H ASP A 62 3.308 12.622 -7.582 1.00 0.00 H new ATOM 0 HA ASP A 62 4.309 14.749 -6.202 1.00 0.00 H new ATOM 0 HB2 ASP A 62 1.863 14.222 -7.842 1.00 0.00 H new ATOM 0 HB3 ASP A 62 1.861 15.697 -6.896 1.00 0.00 H new ATOM 911 N ALA A 63 1.696 13.473 -4.673 1.00 0.00 N ATOM 912 CA ALA A 63 0.950 13.475 -3.420 1.00 0.00 C ATOM 913 C ALA A 63 1.891 13.531 -2.221 1.00 0.00 C ATOM 914 O ALA A 63 2.555 12.547 -1.895 1.00 0.00 O ATOM 915 CB ALA A 63 0.055 12.248 -3.336 1.00 0.00 C ATOM 0 H ALA A 63 1.435 12.727 -5.318 1.00 0.00 H new ATOM 0 HA ALA A 63 0.325 14.368 -3.399 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -0.496 12.263 -2.395 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.649 12.253 -4.169 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.667 11.347 -3.384 1.00 0.00 H new ATOM 921 N TYR A 64 1.942 14.687 -1.569 1.00 0.00 N ATOM 922 CA TYR A 64 2.805 14.872 -0.408 1.00 0.00 C ATOM 923 C TYR A 64 2.052 14.565 0.883 1.00 0.00 C ATOM 924 O TYR A 64 1.005 15.150 1.159 1.00 0.00 O ATOM 925 CB TYR A 64 3.345 16.302 -0.370 1.00 0.00 C ATOM 926 CG TYR A 64 4.710 16.451 -1.002 1.00 0.00 C ATOM 927 CD1 TYR A 64 5.095 15.649 -2.069 1.00 0.00 C ATOM 928 CD2 TYR A 64 5.615 17.396 -0.533 1.00 0.00 C ATOM 929 CE1 TYR A 64 6.342 15.782 -2.649 1.00 0.00 C ATOM 930 CE2 TYR A 64 6.863 17.536 -1.108 1.00 0.00 C ATOM 931 CZ TYR A 64 7.222 16.727 -2.165 1.00 0.00 C ATOM 932 OH TYR A 64 8.464 16.862 -2.741 1.00 0.00 O ATOM 0 H TYR A 64 1.396 15.510 -1.824 1.00 0.00 H new ATOM 0 HA TYR A 64 3.641 14.178 -0.494 1.00 0.00 H new ATOM 0 HB2 TYR A 64 2.643 16.960 -0.882 1.00 0.00 H new ATOM 0 HB3 TYR A 64 3.396 16.635 0.667 1.00 0.00 H new ATOM 0 HD1 TYR A 64 4.408 14.909 -2.452 1.00 0.00 H new ATOM 0 HD2 TYR A 64 5.338 18.032 0.295 1.00 0.00 H new ATOM 0 HE1 TYR A 64 6.626 15.149 -3.477 1.00 0.00 H new ATOM 0 HE2 TYR A 64 7.554 18.276 -0.731 1.00 0.00 H new ATOM 0 HH TYR A 64 8.961 17.572 -2.284 1.00 0.00 H new ATOM 942 N ALA A 65 2.596 13.644 1.673 1.00 0.00 N ATOM 943 CA ALA A 65 1.979 13.260 2.936 1.00 0.00 C ATOM 944 C ALA A 65 2.902 13.563 4.112 1.00 0.00 C ATOM 945 O ALA A 65 4.119 13.401 4.017 1.00 0.00 O ATOM 946 CB ALA A 65 1.610 11.784 2.917 1.00 0.00 C ATOM 0 H ALA A 65 3.463 13.150 1.460 1.00 0.00 H new ATOM 0 HA ALA A 65 1.070 13.848 3.061 1.00 0.00 H new ATOM 0 HB1 ALA A 65 1.150 11.512 3.867 1.00 0.00 H new ATOM 0 HB2 ALA A 65 0.907 11.595 2.106 1.00 0.00 H new ATOM 0 HB3 ALA A 65 2.509 11.186 2.764 1.00 0.00 H new ATOM 952 N THR A 66 2.316 14.003 5.221 1.00 0.00 N ATOM 953 CA THR A 66 3.086 14.329 6.414 1.00 0.00 C ATOM 954 C THR A 66 3.536 13.067 7.140 1.00 0.00 C ATOM 955 O THR A 66 4.327 13.129 8.080 1.00 0.00 O ATOM 956 CB THR A 66 2.272 15.203 7.386 1.00 0.00 C ATOM 957 OG1 THR A 66 1.276 14.411 8.043 1.00 0.00 O ATOM 958 CG2 THR A 66 1.605 16.355 6.649 1.00 0.00 C ATOM 0 H THR A 66 1.310 14.142 5.317 1.00 0.00 H new ATOM 0 HA THR A 66 3.962 14.886 6.082 1.00 0.00 H new ATOM 0 HB THR A 66 2.956 15.614 8.128 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.764 14.975 8.660 1.00 0.00 H new ATOM 0 HG21 THR A 66 1.036 16.958 7.356 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.367 16.974 6.175 1.00 0.00 H new ATOM 0 HG23 THR A 66 0.934 15.959 5.887 1.00 0.00 H new ATOM 966 N ALA A 67 3.028 11.921 6.697 1.00 0.00 N ATOM 967 CA ALA A 67 3.380 10.644 7.304 1.00 0.00 C ATOM 968 C ALA A 67 2.617 9.497 6.651 1.00 0.00 C ATOM 969 O ALA A 67 1.697 9.720 5.862 1.00 0.00 O ATOM 970 CB ALA A 67 3.108 10.677 8.801 1.00 0.00 C ATOM 0 H ALA A 67 2.371 11.852 5.920 1.00 0.00 H new ATOM 0 HA ALA A 67 4.445 10.475 7.144 1.00 0.00 H new ATOM 0 HB1 ALA A 67 3.376 9.716 9.241 1.00 0.00 H new ATOM 0 HB2 ALA A 67 3.703 11.465 9.262 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.050 10.873 8.974 1.00 0.00 H new ATOM 976 N TYR A 68 3.004 8.270 6.982 1.00 0.00 N ATOM 977 CA TYR A 68 2.357 7.088 6.425 1.00 0.00 C ATOM 978 C TYR A 68 2.387 5.932 7.420 1.00 0.00 C ATOM 979 O TYR A 68 3.097 5.979 8.424 1.00 0.00 O ATOM 980 CB TYR A 68 3.043 6.672 5.122 1.00 0.00 C ATOM 981 CG TYR A 68 4.507 7.044 5.063 1.00 0.00 C ATOM 982 CD1 TYR A 68 5.448 6.369 5.831 1.00 0.00 C ATOM 983 CD2 TYR A 68 4.950 8.073 4.241 1.00 0.00 C ATOM 984 CE1 TYR A 68 6.787 6.706 5.780 1.00 0.00 C ATOM 985 CE2 TYR A 68 6.286 8.417 4.182 1.00 0.00 C ATOM 986 CZ TYR A 68 7.201 7.731 4.954 1.00 0.00 C ATOM 987 OH TYR A 68 8.533 8.070 4.901 1.00 0.00 O ATOM 0 H TYR A 68 3.763 8.068 7.633 1.00 0.00 H new ATOM 0 HA TYR A 68 1.317 7.338 6.217 1.00 0.00 H new ATOM 0 HB2 TYR A 68 2.946 5.593 4.998 1.00 0.00 H new ATOM 0 HB3 TYR A 68 2.524 7.137 4.284 1.00 0.00 H new ATOM 0 HD1 TYR A 68 5.127 5.567 6.479 1.00 0.00 H new ATOM 0 HD2 TYR A 68 4.236 8.614 3.637 1.00 0.00 H new ATOM 0 HE1 TYR A 68 7.505 6.170 6.383 1.00 0.00 H new ATOM 0 HE2 TYR A 68 6.613 9.218 3.536 1.00 0.00 H new ATOM 0 HH TYR A 68 8.657 8.810 4.271 1.00 0.00 H new ATOM 997 N SER A 69 1.608 4.892 7.132 1.00 0.00 N ATOM 998 CA SER A 69 1.541 3.724 8.002 1.00 0.00 C ATOM 999 C SER A 69 1.468 2.440 7.182 1.00 0.00 C ATOM 1000 O SER A 69 0.728 2.358 6.201 1.00 0.00 O ATOM 1001 CB SER A 69 0.327 3.820 8.928 1.00 0.00 C ATOM 1002 OG SER A 69 0.598 4.659 10.038 1.00 0.00 O ATOM 0 H SER A 69 1.016 4.836 6.304 1.00 0.00 H new ATOM 0 HA SER A 69 2.448 3.699 8.605 1.00 0.00 H new ATOM 0 HB2 SER A 69 -0.527 4.209 8.374 1.00 0.00 H new ATOM 0 HB3 SER A 69 0.053 2.825 9.278 1.00 0.00 H new ATOM 0 HG SER A 69 -0.216 4.767 10.573 1.00 0.00 H new ATOM 1008 N ILE A 70 2.242 1.439 7.590 1.00 0.00 N ATOM 1009 CA ILE A 70 2.265 0.159 6.894 1.00 0.00 C ATOM 1010 C ILE A 70 1.941 -0.989 7.844 1.00 0.00 C ATOM 1011 O ILE A 70 2.448 -1.042 8.964 1.00 0.00 O ATOM 1012 CB ILE A 70 3.636 -0.102 6.240 1.00 0.00 C ATOM 1013 CG1 ILE A 70 3.457 -0.520 4.780 1.00 0.00 C ATOM 1014 CG2 ILE A 70 4.396 -1.169 7.013 1.00 0.00 C ATOM 1015 CD1 ILE A 70 4.761 -0.806 4.069 1.00 0.00 C ATOM 0 H ILE A 70 2.861 1.490 8.399 1.00 0.00 H new ATOM 0 HA ILE A 70 1.504 0.209 6.115 1.00 0.00 H new ATOM 0 HB ILE A 70 4.216 0.820 6.265 1.00 0.00 H new ATOM 0 HG12 ILE A 70 2.828 -1.409 4.740 1.00 0.00 H new ATOM 0 HG13 ILE A 70 2.927 0.270 4.247 1.00 0.00 H new ATOM 0 HG21 ILE A 70 5.362 -1.343 6.539 1.00 0.00 H new ATOM 0 HG22 ILE A 70 4.550 -0.835 8.039 1.00 0.00 H new ATOM 0 HG23 ILE A 70 3.821 -2.095 7.015 1.00 0.00 H new ATOM 0 HD11 ILE A 70 4.557 -1.097 3.038 1.00 0.00 H new ATOM 0 HD12 ILE A 70 5.384 0.088 4.078 1.00 0.00 H new ATOM 0 HD13 ILE A 70 5.283 -1.616 4.578 1.00 0.00 H new ATOM 1027 N GLN A 71 1.092 -1.905 7.388 1.00 0.00 N ATOM 1028 CA GLN A 71 0.702 -3.052 8.198 1.00 0.00 C ATOM 1029 C GLN A 71 0.400 -4.262 7.318 1.00 0.00 C ATOM 1030 O GLN A 71 0.421 -4.171 6.090 1.00 0.00 O ATOM 1031 CB GLN A 71 -0.521 -2.709 9.050 1.00 0.00 C ATOM 1032 CG GLN A 71 -1.455 -1.705 8.396 1.00 0.00 C ATOM 1033 CD GLN A 71 -1.015 -0.270 8.613 1.00 0.00 C ATOM 1034 OE1 GLN A 71 -0.732 0.142 9.738 1.00 0.00 O ATOM 1035 NE2 GLN A 71 -0.953 0.500 7.532 1.00 0.00 N ATOM 0 H GLN A 71 0.662 -1.875 6.464 1.00 0.00 H new ATOM 0 HA GLN A 71 1.535 -3.302 8.855 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -1.075 -3.624 9.261 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -0.186 -2.311 10.008 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -1.508 -1.907 7.326 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -2.461 -1.837 8.795 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -1.197 0.117 6.618 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -0.662 1.474 7.616 1.00 0.00 H new ATOM 1044 N VAL A 72 0.118 -5.394 7.954 1.00 0.00 N ATOM 1045 CA VAL A 72 -0.190 -6.622 7.230 1.00 0.00 C ATOM 1046 C VAL A 72 -1.245 -7.443 7.962 1.00 0.00 C ATOM 1047 O VAL A 72 -1.731 -7.044 9.021 1.00 0.00 O ATOM 1048 CB VAL A 72 1.069 -7.486 7.030 1.00 0.00 C ATOM 1049 CG1 VAL A 72 2.072 -6.770 6.136 1.00 0.00 C ATOM 1050 CG2 VAL A 72 1.694 -7.836 8.371 1.00 0.00 C ATOM 0 H VAL A 72 0.096 -5.487 8.970 1.00 0.00 H new ATOM 0 HA VAL A 72 -0.577 -6.325 6.255 1.00 0.00 H new ATOM 0 HB VAL A 72 0.777 -8.414 6.538 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.955 -7.396 6.006 1.00 0.00 H new ATOM 0 HG12 VAL A 72 1.619 -6.575 5.164 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.361 -5.826 6.597 1.00 0.00 H new ATOM 0 HG21 VAL A 72 2.582 -8.447 8.210 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.973 -6.920 8.893 1.00 0.00 H new ATOM 0 HG23 VAL A 72 0.976 -8.392 8.973 1.00 0.00 H new ATOM 1060 N SER A 73 -1.594 -8.591 7.392 1.00 0.00 N ATOM 1061 CA SER A 73 -2.595 -9.468 7.989 1.00 0.00 C ATOM 1062 C SER A 73 -1.944 -10.722 8.566 1.00 0.00 C ATOM 1063 O SER A 73 -1.155 -11.388 7.897 1.00 0.00 O ATOM 1064 CB SER A 73 -3.649 -9.858 6.950 1.00 0.00 C ATOM 1065 OG SER A 73 -3.266 -11.031 6.253 1.00 0.00 O ATOM 0 H SER A 73 -1.199 -8.936 6.517 1.00 0.00 H new ATOM 0 HA SER A 73 -3.080 -8.925 8.800 1.00 0.00 H new ATOM 0 HB2 SER A 73 -4.608 -10.020 7.443 1.00 0.00 H new ATOM 0 HB3 SER A 73 -3.788 -9.040 6.243 1.00 0.00 H new ATOM 0 HG SER A 73 -3.720 -11.059 5.385 1.00 0.00 H new ATOM 1071 N ASN A 74 -2.282 -11.037 9.812 1.00 0.00 N ATOM 1072 CA ASN A 74 -1.731 -12.210 10.479 1.00 0.00 C ATOM 1073 C ASN A 74 -2.244 -12.313 11.913 1.00 0.00 C ATOM 1074 O ASN A 74 -2.458 -11.300 12.579 1.00 0.00 O ATOM 1075 CB ASN A 74 -0.202 -12.153 10.477 1.00 0.00 C ATOM 1076 CG ASN A 74 0.324 -10.732 10.527 1.00 0.00 C ATOM 1077 OD1 ASN A 74 1.167 -10.341 9.720 1.00 0.00 O ATOM 1078 ND2 ASN A 74 -0.173 -9.950 11.479 1.00 0.00 N ATOM 0 H ASN A 74 -2.935 -10.496 10.380 1.00 0.00 H new ATOM 0 HA ASN A 74 -2.056 -13.094 9.931 1.00 0.00 H new ATOM 0 HB2 ASN A 74 0.181 -12.709 11.333 1.00 0.00 H new ATOM 0 HB3 ASN A 74 0.176 -12.646 9.581 1.00 0.00 H new ATOM 0 HD21 ASN A 74 0.143 -8.984 11.562 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -0.871 -10.316 12.127 1.00 0.00 H new ATOM 1085 N ASP A 75 -2.440 -13.540 12.379 1.00 0.00 N ATOM 1086 CA ASP A 75 -2.926 -13.776 13.734 1.00 0.00 C ATOM 1087 C ASP A 75 -2.864 -15.259 14.083 1.00 0.00 C ATOM 1088 O ASP A 75 -2.418 -15.633 15.168 1.00 0.00 O ATOM 1089 CB ASP A 75 -4.360 -13.264 13.879 1.00 0.00 C ATOM 1090 CG ASP A 75 -4.702 -12.898 15.310 1.00 0.00 C ATOM 1091 OD1 ASP A 75 -3.804 -12.408 16.028 1.00 0.00 O ATOM 1092 OD2 ASP A 75 -5.866 -13.101 15.712 1.00 0.00 O ATOM 0 H ASP A 75 -2.270 -14.388 11.839 1.00 0.00 H new ATOM 0 HA ASP A 75 -2.282 -13.232 14.425 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -4.497 -12.391 13.241 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -5.053 -14.028 13.527 1.00 0.00 H new ATOM 1097 N SER A 76 -3.315 -16.100 13.158 1.00 0.00 N ATOM 1098 CA SER A 76 -3.315 -17.542 13.370 1.00 0.00 C ATOM 1099 C SER A 76 -2.304 -18.227 12.455 1.00 0.00 C ATOM 1100 O SER A 76 -2.169 -19.450 12.465 1.00 0.00 O ATOM 1101 CB SER A 76 -4.712 -18.115 13.123 1.00 0.00 C ATOM 1102 OG SER A 76 -4.737 -19.514 13.348 1.00 0.00 O ATOM 0 H SER A 76 -3.685 -15.807 12.254 1.00 0.00 H new ATOM 0 HA SER A 76 -3.029 -17.731 14.405 1.00 0.00 H new ATOM 0 HB2 SER A 76 -5.431 -17.625 13.780 1.00 0.00 H new ATOM 0 HB3 SER A 76 -5.020 -17.903 12.099 1.00 0.00 H new ATOM 0 HG SER A 76 -3.838 -19.882 13.218 1.00 0.00 H new ATOM 1108 N GLY A 77 -1.595 -17.427 11.665 1.00 0.00 N ATOM 1109 CA GLY A 77 -0.604 -17.972 10.754 1.00 0.00 C ATOM 1110 C GLY A 77 -1.173 -18.245 9.376 1.00 0.00 C ATOM 1111 O GLY A 77 -0.623 -17.796 8.370 1.00 0.00 O ATOM 0 H GLY A 77 -1.689 -16.412 11.639 1.00 0.00 H new ATOM 0 HA2 GLY A 77 0.229 -17.274 10.668 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -0.204 -18.897 11.168 1.00 0.00 H new ATOM 1115 N SER A 78 -2.276 -18.985 9.328 1.00 0.00 N ATOM 1116 CA SER A 78 -2.915 -19.323 8.061 1.00 0.00 C ATOM 1117 C SER A 78 -4.216 -18.544 7.886 1.00 0.00 C ATOM 1118 O SER A 78 -4.688 -18.344 6.766 1.00 0.00 O ATOM 1119 CB SER A 78 -3.194 -20.825 7.992 1.00 0.00 C ATOM 1120 OG SER A 78 -3.141 -21.292 6.654 1.00 0.00 O ATOM 0 H SER A 78 -2.746 -19.362 10.151 1.00 0.00 H new ATOM 0 HA SER A 78 -2.235 -19.050 7.254 1.00 0.00 H new ATOM 0 HB2 SER A 78 -2.464 -21.362 8.597 1.00 0.00 H new ATOM 0 HB3 SER A 78 -4.176 -21.036 8.416 1.00 0.00 H new ATOM 0 HG SER A 78 -3.321 -22.255 6.636 1.00 0.00 H new ATOM 1126 N THR A 79 -4.792 -18.107 9.001 1.00 0.00 N ATOM 1127 CA THR A 79 -6.038 -17.351 8.972 1.00 0.00 C ATOM 1128 C THR A 79 -5.853 -15.962 9.570 1.00 0.00 C ATOM 1129 O THR A 79 -6.178 -15.710 10.731 1.00 0.00 O ATOM 1130 CB THR A 79 -7.157 -18.083 9.740 1.00 0.00 C ATOM 1131 OG1 THR A 79 -7.048 -19.496 9.536 1.00 0.00 O ATOM 1132 CG2 THR A 79 -8.527 -17.603 9.286 1.00 0.00 C ATOM 0 H THR A 79 -4.415 -18.264 9.936 1.00 0.00 H new ATOM 0 HA THR A 79 -6.326 -17.257 7.925 1.00 0.00 H new ATOM 0 HB THR A 79 -7.045 -17.861 10.801 1.00 0.00 H new ATOM 0 HG1 THR A 79 -7.761 -19.954 10.028 1.00 0.00 H new ATOM 0 HG21 THR A 79 -9.301 -18.133 9.841 1.00 0.00 H new ATOM 0 HG22 THR A 79 -8.617 -16.532 9.470 1.00 0.00 H new ATOM 0 HG23 THR A 79 -8.646 -17.799 8.220 1.00 0.00 H new ATOM 1140 N PRO A 80 -5.318 -15.036 8.760 1.00 0.00 N ATOM 1141 CA PRO A 80 -5.079 -13.654 9.188 1.00 0.00 C ATOM 1142 C PRO A 80 -6.375 -12.875 9.385 1.00 0.00 C ATOM 1143 O PRO A 80 -7.309 -12.993 8.592 1.00 0.00 O ATOM 1144 CB PRO A 80 -4.268 -13.060 8.033 1.00 0.00 C ATOM 1145 CG PRO A 80 -4.645 -13.879 6.846 1.00 0.00 C ATOM 1146 CD PRO A 80 -4.907 -15.266 7.366 1.00 0.00 C ATOM 0 HA PRO A 80 -4.571 -13.608 10.151 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -4.508 -12.008 7.881 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -3.197 -13.117 8.230 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -5.530 -13.472 6.356 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -3.845 -13.884 6.106 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -5.688 -15.768 6.795 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -4.016 -15.892 7.308 1.00 0.00 H new ATOM 1154 N THR A 81 -6.424 -12.077 10.447 1.00 0.00 N ATOM 1155 CA THR A 81 -7.606 -11.278 10.749 1.00 0.00 C ATOM 1156 C THR A 81 -7.248 -10.067 11.600 1.00 0.00 C ATOM 1157 O THR A 81 -7.891 -9.022 11.512 1.00 0.00 O ATOM 1158 CB THR A 81 -8.673 -12.111 11.484 1.00 0.00 C ATOM 1159 OG1 THR A 81 -8.061 -12.893 12.515 1.00 0.00 O ATOM 1160 CG2 THR A 81 -9.408 -13.026 10.516 1.00 0.00 C ATOM 0 H THR A 81 -5.659 -11.967 11.113 1.00 0.00 H new ATOM 0 HA THR A 81 -8.012 -10.940 9.795 1.00 0.00 H new ATOM 0 HB THR A 81 -9.394 -11.425 11.929 1.00 0.00 H new ATOM 0 HG1 THR A 81 -8.747 -13.418 12.978 1.00 0.00 H new ATOM 0 HG21 THR A 81 -10.156 -13.604 11.059 1.00 0.00 H new ATOM 0 HG22 THR A 81 -9.899 -12.426 9.750 1.00 0.00 H new ATOM 0 HG23 THR A 81 -8.697 -13.705 10.045 1.00 0.00 H new ATOM 1168 N ASN A 82 -6.215 -10.212 12.425 1.00 0.00 N ATOM 1169 CA ASN A 82 -5.772 -9.128 13.293 1.00 0.00 C ATOM 1170 C ASN A 82 -5.060 -8.044 12.489 1.00 0.00 C ATOM 1171 O ASN A 82 -4.850 -8.187 11.285 1.00 0.00 O ATOM 1172 CB ASN A 82 -4.840 -9.666 14.381 1.00 0.00 C ATOM 1173 CG ASN A 82 -5.587 -10.049 15.644 1.00 0.00 C ATOM 1174 OD1 ASN A 82 -6.736 -10.487 15.590 1.00 0.00 O ATOM 1175 ND2 ASN A 82 -4.935 -9.885 16.789 1.00 0.00 N ATOM 0 H ASN A 82 -5.670 -11.070 12.510 1.00 0.00 H new ATOM 0 HA ASN A 82 -6.652 -8.689 13.762 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -4.305 -10.536 14.000 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -4.091 -8.911 14.620 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -5.386 -10.126 17.672 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -3.983 -9.519 16.786 1.00 0.00 H new ATOM 1182 N TRP A 83 -4.691 -6.961 13.163 1.00 0.00 N ATOM 1183 CA TRP A 83 -4.002 -5.852 12.512 1.00 0.00 C ATOM 1184 C TRP A 83 -2.780 -5.424 13.316 1.00 0.00 C ATOM 1185 O TRP A 83 -2.862 -5.214 14.526 1.00 0.00 O ATOM 1186 CB TRP A 83 -4.954 -4.668 12.335 1.00 0.00 C ATOM 1187 CG TRP A 83 -5.427 -4.492 10.924 1.00 0.00 C ATOM 1188 CD1 TRP A 83 -4.670 -4.147 9.841 1.00 0.00 C ATOM 1189 CD2 TRP A 83 -6.767 -4.651 10.444 1.00 0.00 C ATOM 1190 NE1 TRP A 83 -5.458 -4.083 8.717 1.00 0.00 N ATOM 1191 CE2 TRP A 83 -6.748 -4.388 9.061 1.00 0.00 C ATOM 1192 CE3 TRP A 83 -7.980 -4.992 11.048 1.00 0.00 C ATOM 1193 CZ2 TRP A 83 -7.895 -4.455 8.274 1.00 0.00 C ATOM 1194 CZ3 TRP A 83 -9.118 -5.058 10.267 1.00 0.00 C ATOM 1195 CH2 TRP A 83 -9.070 -4.791 8.892 1.00 0.00 C ATOM 0 H TRP A 83 -4.857 -6.827 14.160 1.00 0.00 H new ATOM 0 HA TRP A 83 -3.667 -6.189 11.531 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -5.818 -4.805 12.986 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -4.452 -3.756 12.659 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -3.608 -3.953 9.864 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -5.135 -3.847 7.779 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -8.027 -5.200 12.107 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -7.859 -4.249 7.214 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -10.061 -5.320 10.724 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -9.977 -4.851 8.309 1.00 0.00 H new ATOM 1206 N THR A 84 -1.645 -5.295 12.635 1.00 0.00 N ATOM 1207 CA THR A 84 -0.405 -4.893 13.287 1.00 0.00 C ATOM 1208 C THR A 84 0.390 -3.932 12.410 1.00 0.00 C ATOM 1209 O THR A 84 0.618 -4.195 11.228 1.00 0.00 O ATOM 1210 CB THR A 84 0.476 -6.112 13.621 1.00 0.00 C ATOM 1211 OG1 THR A 84 1.583 -5.707 14.433 1.00 0.00 O ATOM 1212 CG2 THR A 84 0.987 -6.774 12.351 1.00 0.00 C ATOM 0 H THR A 84 -1.559 -5.463 11.633 1.00 0.00 H new ATOM 0 HA THR A 84 -0.684 -4.391 14.213 1.00 0.00 H new ATOM 0 HB THR A 84 -0.131 -6.833 14.168 1.00 0.00 H new ATOM 0 HG1 THR A 84 2.138 -6.487 14.643 1.00 0.00 H new ATOM 0 HG21 THR A 84 1.607 -7.632 12.612 1.00 0.00 H new ATOM 0 HG22 THR A 84 0.142 -7.107 11.749 1.00 0.00 H new ATOM 0 HG23 THR A 84 1.580 -6.059 11.781 1.00 0.00 H new ATOM 1220 N THR A 85 0.811 -2.814 12.995 1.00 0.00 N ATOM 1221 CA THR A 85 1.579 -1.813 12.266 1.00 0.00 C ATOM 1222 C THR A 85 3.076 -2.067 12.397 1.00 0.00 C ATOM 1223 O THR A 85 3.524 -2.724 13.337 1.00 0.00 O ATOM 1224 CB THR A 85 1.265 -0.390 12.767 1.00 0.00 C ATOM 1225 OG1 THR A 85 1.623 -0.266 14.147 1.00 0.00 O ATOM 1226 CG2 THR A 85 -0.211 -0.067 12.590 1.00 0.00 C ATOM 0 H THR A 85 0.633 -2.580 13.972 1.00 0.00 H new ATOM 0 HA THR A 85 1.290 -1.893 11.218 1.00 0.00 H new ATOM 0 HB THR A 85 1.849 0.316 12.176 1.00 0.00 H new ATOM 0 HG1 THR A 85 1.422 0.642 14.457 1.00 0.00 H new ATOM 0 HG21 THR A 85 -0.408 0.942 12.951 1.00 0.00 H new ATOM 0 HG22 THR A 85 -0.474 -0.133 11.534 1.00 0.00 H new ATOM 0 HG23 THR A 85 -0.810 -0.779 13.158 1.00 0.00 H new ATOM 1234 N VAL A 86 3.846 -1.542 11.450 1.00 0.00 N ATOM 1235 CA VAL A 86 5.294 -1.710 11.460 1.00 0.00 C ATOM 1236 C VAL A 86 6.003 -0.364 11.551 1.00 0.00 C ATOM 1237 O VAL A 86 7.205 -0.299 11.814 1.00 0.00 O ATOM 1238 CB VAL A 86 5.782 -2.452 10.202 1.00 0.00 C ATOM 1239 CG1 VAL A 86 7.118 -3.129 10.466 1.00 0.00 C ATOM 1240 CG2 VAL A 86 4.744 -3.464 9.745 1.00 0.00 C ATOM 0 H VAL A 86 3.491 -0.996 10.665 1.00 0.00 H new ATOM 0 HA VAL A 86 5.537 -2.305 12.340 1.00 0.00 H new ATOM 0 HB VAL A 86 5.922 -1.724 9.403 1.00 0.00 H new ATOM 0 HG11 VAL A 86 7.447 -3.648 9.566 1.00 0.00 H new ATOM 0 HG12 VAL A 86 7.858 -2.378 10.743 1.00 0.00 H new ATOM 0 HG13 VAL A 86 7.008 -3.847 11.279 1.00 0.00 H new ATOM 0 HG21 VAL A 86 5.105 -3.979 8.855 1.00 0.00 H new ATOM 0 HG22 VAL A 86 4.570 -4.190 10.539 1.00 0.00 H new ATOM 0 HG23 VAL A 86 3.812 -2.949 9.513 1.00 0.00 H new ATOM 1250 N TYR A 87 5.253 0.711 11.332 1.00 0.00 N ATOM 1251 CA TYR A 87 5.810 2.057 11.386 1.00 0.00 C ATOM 1252 C TYR A 87 4.701 3.102 11.448 1.00 0.00 C ATOM 1253 O TYR A 87 3.590 2.875 10.969 1.00 0.00 O ATOM 1254 CB TYR A 87 6.700 2.313 10.169 1.00 0.00 C ATOM 1255 CG TYR A 87 7.410 3.647 10.208 1.00 0.00 C ATOM 1256 CD1 TYR A 87 8.509 3.848 11.033 1.00 0.00 C ATOM 1257 CD2 TYR A 87 6.981 4.707 9.417 1.00 0.00 C ATOM 1258 CE1 TYR A 87 9.160 5.066 11.072 1.00 0.00 C ATOM 1259 CE2 TYR A 87 7.627 5.928 9.449 1.00 0.00 C ATOM 1260 CZ TYR A 87 8.715 6.103 10.278 1.00 0.00 C ATOM 1261 OH TYR A 87 9.362 7.316 10.314 1.00 0.00 O ATOM 0 H TYR A 87 4.257 0.676 11.115 1.00 0.00 H new ATOM 0 HA TYR A 87 6.412 2.138 12.291 1.00 0.00 H new ATOM 0 HB2 TYR A 87 7.442 1.518 10.098 1.00 0.00 H new ATOM 0 HB3 TYR A 87 6.091 2.261 9.267 1.00 0.00 H new ATOM 0 HD1 TYR A 87 8.861 3.038 11.655 1.00 0.00 H new ATOM 0 HD2 TYR A 87 6.129 4.574 8.767 1.00 0.00 H new ATOM 0 HE1 TYR A 87 10.012 5.206 11.720 1.00 0.00 H new ATOM 0 HE2 TYR A 87 7.282 6.741 8.828 1.00 0.00 H new ATOM 0 HH TYR A 87 8.925 7.938 9.696 1.00 0.00 H new ATOM 1271 N SER A 88 5.011 4.250 12.042 1.00 0.00 N ATOM 1272 CA SER A 88 4.042 5.332 12.171 1.00 0.00 C ATOM 1273 C SER A 88 4.634 6.504 12.948 1.00 0.00 C ATOM 1274 O SER A 88 5.257 6.319 13.994 1.00 0.00 O ATOM 1275 CB SER A 88 2.776 4.830 12.869 1.00 0.00 C ATOM 1276 OG SER A 88 3.097 3.991 13.965 1.00 0.00 O ATOM 0 H SER A 88 5.927 4.455 12.442 1.00 0.00 H new ATOM 0 HA SER A 88 3.785 5.677 11.169 1.00 0.00 H new ATOM 0 HB2 SER A 88 2.188 5.679 13.217 1.00 0.00 H new ATOM 0 HB3 SER A 88 2.157 4.283 12.158 1.00 0.00 H new ATOM 0 HG SER A 88 2.271 3.685 14.395 1.00 0.00 H new ATOM 1282 N THR A 89 4.437 7.711 12.429 1.00 0.00 N ATOM 1283 CA THR A 89 4.952 8.913 13.071 1.00 0.00 C ATOM 1284 C THR A 89 4.419 10.170 12.393 1.00 0.00 C ATOM 1285 O THR A 89 3.511 10.105 11.563 1.00 0.00 O ATOM 1286 CB THR A 89 6.491 8.946 13.052 1.00 0.00 C ATOM 1287 OG1 THR A 89 6.972 9.934 13.969 1.00 0.00 O ATOM 1288 CG2 THR A 89 7.008 9.249 11.653 1.00 0.00 C ATOM 0 H THR A 89 3.924 7.882 11.564 1.00 0.00 H new ATOM 0 HA THR A 89 4.610 8.889 14.106 1.00 0.00 H new ATOM 0 HB THR A 89 6.857 7.964 13.353 1.00 0.00 H new ATOM 0 HG1 THR A 89 7.952 9.947 13.952 1.00 0.00 H new ATOM 0 HG21 THR A 89 8.098 9.267 11.664 1.00 0.00 H new ATOM 0 HG22 THR A 89 6.665 8.478 10.963 1.00 0.00 H new ATOM 0 HG23 THR A 89 6.632 10.219 11.328 1.00 0.00 H new ATOM 1296 N THR A 90 4.991 11.317 12.749 1.00 0.00 N ATOM 1297 CA THR A 90 4.574 12.589 12.175 1.00 0.00 C ATOM 1298 C THR A 90 5.771 13.375 11.651 1.00 0.00 C ATOM 1299 O THR A 90 6.010 14.510 12.062 1.00 0.00 O ATOM 1300 CB THR A 90 3.820 13.451 13.206 1.00 0.00 C ATOM 1301 OG1 THR A 90 4.418 13.303 14.498 1.00 0.00 O ATOM 1302 CG2 THR A 90 2.352 13.056 13.271 1.00 0.00 C ATOM 0 H THR A 90 5.745 11.390 13.433 1.00 0.00 H new ATOM 0 HA THR A 90 3.904 12.357 11.347 1.00 0.00 H new ATOM 0 HB THR A 90 3.885 14.493 12.894 1.00 0.00 H new ATOM 0 HG1 THR A 90 3.934 13.855 15.147 1.00 0.00 H new ATOM 0 HG21 THR A 90 1.840 13.678 14.005 1.00 0.00 H new ATOM 0 HG22 THR A 90 1.893 13.198 12.292 1.00 0.00 H new ATOM 0 HG23 THR A 90 2.270 12.009 13.562 1.00 0.00 H new ATOM 1310 N THR A 91 6.519 12.764 10.739 1.00 0.00 N ATOM 1311 CA THR A 91 7.692 13.405 10.158 1.00 0.00 C ATOM 1312 C THR A 91 7.952 12.901 8.743 1.00 0.00 C ATOM 1313 O THR A 91 8.869 12.115 8.512 1.00 0.00 O ATOM 1314 CB THR A 91 8.949 13.162 11.016 1.00 0.00 C ATOM 1315 OG1 THR A 91 10.120 13.542 10.286 1.00 0.00 O ATOM 1316 CG2 THR A 91 9.050 11.700 11.424 1.00 0.00 C ATOM 0 H THR A 91 6.333 11.825 10.386 1.00 0.00 H new ATOM 0 HA THR A 91 7.483 14.474 10.127 1.00 0.00 H new ATOM 0 HB THR A 91 8.871 13.769 11.918 1.00 0.00 H new ATOM 0 HG1 THR A 91 10.188 13.001 9.472 1.00 0.00 H new ATOM 0 HG21 THR A 91 9.945 11.552 12.029 1.00 0.00 H new ATOM 0 HG22 THR A 91 8.170 11.422 12.004 1.00 0.00 H new ATOM 0 HG23 THR A 91 9.108 11.076 10.532 1.00 0.00 H new ATOM 1324 N GLY A 92 7.137 13.358 7.797 1.00 0.00 N ATOM 1325 CA GLY A 92 7.295 12.942 6.416 1.00 0.00 C ATOM 1326 C GLY A 92 7.207 14.104 5.447 1.00 0.00 C ATOM 1327 O GLY A 92 7.119 15.260 5.860 1.00 0.00 O ATOM 0 H GLY A 92 6.370 14.009 7.963 1.00 0.00 H new ATOM 0 HA2 GLY A 92 8.258 12.446 6.297 1.00 0.00 H new ATOM 0 HA3 GLY A 92 6.527 12.209 6.170 1.00 0.00 H new ATOM 1331 N ASP A 93 7.235 13.798 4.155 1.00 0.00 N ATOM 1332 CA ASP A 93 7.159 14.826 3.123 1.00 0.00 C ATOM 1333 C ASP A 93 6.255 14.381 1.978 1.00 0.00 C ATOM 1334 O ASP A 93 5.184 14.947 1.762 1.00 0.00 O ATOM 1335 CB ASP A 93 8.556 15.149 2.592 1.00 0.00 C ATOM 1336 CG ASP A 93 9.473 13.942 2.602 1.00 0.00 C ATOM 1337 OD1 ASP A 93 9.944 13.564 3.696 1.00 0.00 O ATOM 1338 OD2 ASP A 93 9.718 13.374 1.518 1.00 0.00 O ATOM 0 H ASP A 93 7.310 12.846 3.797 1.00 0.00 H new ATOM 0 HA ASP A 93 6.732 15.724 3.570 1.00 0.00 H new ATOM 0 HB2 ASP A 93 8.475 15.532 1.575 1.00 0.00 H new ATOM 0 HB3 ASP A 93 8.997 15.942 3.197 1.00 0.00 H new ATOM 1343 N GLY A 94 6.695 13.363 1.244 1.00 0.00 N ATOM 1344 CA GLY A 94 5.914 12.860 0.129 1.00 0.00 C ATOM 1345 C GLY A 94 6.718 11.948 -0.776 1.00 0.00 C ATOM 1346 O GLY A 94 6.159 11.088 -1.456 1.00 0.00 O ATOM 0 H GLY A 94 7.578 12.878 1.402 1.00 0.00 H new ATOM 0 HA2 GLY A 94 5.049 12.318 0.511 1.00 0.00 H new ATOM 0 HA3 GLY A 94 5.533 13.700 -0.452 1.00 0.00 H new ATOM 1350 N ALA A 95 8.034 12.136 -0.787 1.00 0.00 N ATOM 1351 CA ALA A 95 8.915 11.324 -1.616 1.00 0.00 C ATOM 1352 C ALA A 95 8.749 9.841 -1.304 1.00 0.00 C ATOM 1353 O ALA A 95 8.149 9.473 -0.293 1.00 0.00 O ATOM 1354 CB ALA A 95 10.363 11.748 -1.418 1.00 0.00 C ATOM 0 H ALA A 95 8.513 12.844 -0.231 1.00 0.00 H new ATOM 0 HA ALA A 95 8.640 11.482 -2.659 1.00 0.00 H new ATOM 0 HB1 ALA A 95 11.011 11.133 -2.043 1.00 0.00 H new ATOM 0 HB2 ALA A 95 10.477 12.795 -1.697 1.00 0.00 H new ATOM 0 HB3 ALA A 95 10.640 11.619 -0.372 1.00 0.00 H new ATOM 1360 N ILE A 96 9.281 8.995 -2.179 1.00 0.00 N ATOM 1361 CA ILE A 96 9.190 7.551 -1.997 1.00 0.00 C ATOM 1362 C ILE A 96 9.549 7.154 -0.569 1.00 0.00 C ATOM 1363 O ILE A 96 10.589 7.552 -0.045 1.00 0.00 O ATOM 1364 CB ILE A 96 10.115 6.801 -2.974 1.00 0.00 C ATOM 1365 CG1 ILE A 96 9.855 7.258 -4.410 1.00 0.00 C ATOM 1366 CG2 ILE A 96 9.913 5.298 -2.846 1.00 0.00 C ATOM 1367 CD1 ILE A 96 10.899 8.219 -4.937 1.00 0.00 C ATOM 0 H ILE A 96 9.779 9.284 -3.021 1.00 0.00 H new ATOM 0 HA ILE A 96 8.156 7.271 -2.201 1.00 0.00 H new ATOM 0 HB ILE A 96 11.150 7.032 -2.721 1.00 0.00 H new ATOM 0 HG12 ILE A 96 9.817 6.384 -5.060 1.00 0.00 H new ATOM 0 HG13 ILE A 96 8.876 7.735 -4.459 1.00 0.00 H new ATOM 0 HG21 ILE A 96 10.573 4.782 -3.543 1.00 0.00 H new ATOM 0 HG22 ILE A 96 10.144 4.985 -1.828 1.00 0.00 H new ATOM 0 HG23 ILE A 96 8.877 5.049 -3.076 1.00 0.00 H new ATOM 0 HD11 ILE A 96 10.651 8.501 -5.960 1.00 0.00 H new ATOM 0 HD12 ILE A 96 10.922 9.111 -4.311 1.00 0.00 H new ATOM 0 HD13 ILE A 96 11.877 7.739 -4.920 1.00 0.00 H new ATOM 1379 N ASP A 97 8.681 6.366 0.056 1.00 0.00 N ATOM 1380 CA ASP A 97 8.906 5.912 1.423 1.00 0.00 C ATOM 1381 C ASP A 97 9.351 4.452 1.445 1.00 0.00 C ATOM 1382 O ASP A 97 8.657 3.574 0.931 1.00 0.00 O ATOM 1383 CB ASP A 97 7.635 6.083 2.257 1.00 0.00 C ATOM 1384 CG ASP A 97 6.503 5.200 1.773 1.00 0.00 C ATOM 1385 OD1 ASP A 97 5.991 5.446 0.661 1.00 0.00 O ATOM 1386 OD2 ASP A 97 6.127 4.261 2.507 1.00 0.00 O ATOM 0 H ASP A 97 7.814 6.028 -0.363 1.00 0.00 H new ATOM 0 HA ASP A 97 9.699 6.522 1.855 1.00 0.00 H new ATOM 0 HB2 ASP A 97 7.854 5.850 3.299 1.00 0.00 H new ATOM 0 HB3 ASP A 97 7.319 7.126 2.223 1.00 0.00 H new ATOM 1391 N ASP A 98 10.511 4.201 2.040 1.00 0.00 N ATOM 1392 CA ASP A 98 11.048 2.848 2.128 1.00 0.00 C ATOM 1393 C ASP A 98 11.151 2.399 3.583 1.00 0.00 C ATOM 1394 O ASP A 98 11.930 2.951 4.360 1.00 0.00 O ATOM 1395 CB ASP A 98 12.423 2.779 1.462 1.00 0.00 C ATOM 1396 CG ASP A 98 13.058 1.408 1.588 1.00 0.00 C ATOM 1397 OD1 ASP A 98 12.339 0.450 1.941 1.00 0.00 O ATOM 1398 OD2 ASP A 98 14.275 1.292 1.332 1.00 0.00 O ATOM 0 H ASP A 98 11.098 4.916 2.469 1.00 0.00 H new ATOM 0 HA ASP A 98 10.366 2.177 1.606 1.00 0.00 H new ATOM 0 HB2 ASP A 98 12.326 3.036 0.407 1.00 0.00 H new ATOM 0 HB3 ASP A 98 13.080 3.523 1.912 1.00 0.00 H new ATOM 1403 N ILE A 99 10.359 1.394 3.943 1.00 0.00 N ATOM 1404 CA ILE A 99 10.361 0.870 5.303 1.00 0.00 C ATOM 1405 C ILE A 99 10.966 -0.528 5.353 1.00 0.00 C ATOM 1406 O ILE A 99 10.617 -1.397 4.554 1.00 0.00 O ATOM 1407 CB ILE A 99 8.938 0.823 5.890 1.00 0.00 C ATOM 1408 CG1 ILE A 99 8.966 0.244 7.306 1.00 0.00 C ATOM 1409 CG2 ILE A 99 8.023 0.002 4.995 1.00 0.00 C ATOM 1410 CD1 ILE A 99 7.597 0.130 7.940 1.00 0.00 C ATOM 0 H ILE A 99 9.708 0.927 3.312 1.00 0.00 H new ATOM 0 HA ILE A 99 10.970 1.548 5.901 1.00 0.00 H new ATOM 0 HB ILE A 99 8.548 1.840 5.941 1.00 0.00 H new ATOM 0 HG12 ILE A 99 9.427 -0.743 7.277 1.00 0.00 H new ATOM 0 HG13 ILE A 99 9.597 0.872 7.934 1.00 0.00 H new ATOM 0 HG21 ILE A 99 7.021 -0.022 5.423 1.00 0.00 H new ATOM 0 HG22 ILE A 99 7.983 0.453 4.004 1.00 0.00 H new ATOM 0 HG23 ILE A 99 8.408 -1.015 4.916 1.00 0.00 H new ATOM 0 HD11 ILE A 99 7.694 -0.288 8.942 1.00 0.00 H new ATOM 0 HD12 ILE A 99 7.141 1.118 8.001 1.00 0.00 H new ATOM 0 HD13 ILE A 99 6.969 -0.523 7.334 1.00 0.00 H new ATOM 1422 N THR A 100 11.876 -0.740 6.299 1.00 0.00 N ATOM 1423 CA THR A 100 12.531 -2.033 6.455 1.00 0.00 C ATOM 1424 C THR A 100 12.328 -2.586 7.860 1.00 0.00 C ATOM 1425 O THR A 100 12.465 -1.864 8.848 1.00 0.00 O ATOM 1426 CB THR A 100 14.040 -1.937 6.165 1.00 0.00 C ATOM 1427 OG1 THR A 100 14.707 -1.284 7.251 1.00 0.00 O ATOM 1428 CG2 THR A 100 14.296 -1.175 4.873 1.00 0.00 C ATOM 0 H THR A 100 12.176 -0.032 6.969 1.00 0.00 H new ATOM 0 HA THR A 100 12.073 -2.709 5.733 1.00 0.00 H new ATOM 0 HB THR A 100 14.431 -2.948 6.055 1.00 0.00 H new ATOM 0 HG1 THR A 100 15.667 -1.228 7.060 1.00 0.00 H new ATOM 0 HG21 THR A 100 15.369 -1.120 4.689 1.00 0.00 H new ATOM 0 HG22 THR A 100 13.812 -1.691 4.044 1.00 0.00 H new ATOM 0 HG23 THR A 100 13.891 -0.167 4.959 1.00 0.00 H new ATOM 1436 N PHE A 101 12.002 -3.871 7.945 1.00 0.00 N ATOM 1437 CA PHE A 101 11.780 -4.522 9.230 1.00 0.00 C ATOM 1438 C PHE A 101 12.345 -5.940 9.228 1.00 0.00 C ATOM 1439 O PHE A 101 12.892 -6.399 8.226 1.00 0.00 O ATOM 1440 CB PHE A 101 10.287 -4.556 9.558 1.00 0.00 C ATOM 1441 CG PHE A 101 9.405 -4.467 8.345 1.00 0.00 C ATOM 1442 CD1 PHE A 101 9.021 -5.611 7.666 1.00 0.00 C ATOM 1443 CD2 PHE A 101 8.961 -3.237 7.885 1.00 0.00 C ATOM 1444 CE1 PHE A 101 8.209 -5.532 6.549 1.00 0.00 C ATOM 1445 CE2 PHE A 101 8.148 -3.152 6.770 1.00 0.00 C ATOM 1446 CZ PHE A 101 7.774 -4.301 6.101 1.00 0.00 C ATOM 0 H PHE A 101 11.886 -4.483 7.137 1.00 0.00 H new ATOM 0 HA PHE A 101 12.299 -3.945 9.995 1.00 0.00 H new ATOM 0 HB2 PHE A 101 10.062 -5.478 10.094 1.00 0.00 H new ATOM 0 HB3 PHE A 101 10.052 -3.731 10.230 1.00 0.00 H new ATOM 0 HD1 PHE A 101 9.359 -6.576 8.013 1.00 0.00 H new ATOM 0 HD2 PHE A 101 9.253 -2.336 8.403 1.00 0.00 H new ATOM 0 HE1 PHE A 101 7.916 -6.432 6.028 1.00 0.00 H new ATOM 0 HE2 PHE A 101 7.806 -2.188 6.423 1.00 0.00 H new ATOM 0 HZ PHE A 101 7.142 -4.236 5.228 1.00 0.00 H new ATOM 1456 N ALA A 102 12.209 -6.626 10.358 1.00 0.00 N ATOM 1457 CA ALA A 102 12.704 -7.991 10.486 1.00 0.00 C ATOM 1458 C ALA A 102 11.897 -8.951 9.620 1.00 0.00 C ATOM 1459 O ALA A 102 10.756 -8.666 9.258 1.00 0.00 O ATOM 1460 CB ALA A 102 12.666 -8.431 11.942 1.00 0.00 C ATOM 0 H ALA A 102 11.760 -6.259 11.197 1.00 0.00 H new ATOM 0 HA ALA A 102 13.737 -8.011 10.138 1.00 0.00 H new ATOM 0 HB1 ALA A 102 13.038 -9.452 12.023 1.00 0.00 H new ATOM 0 HB2 ALA A 102 13.292 -7.768 12.539 1.00 0.00 H new ATOM 0 HB3 ALA A 102 11.640 -8.389 12.308 1.00 0.00 H new ATOM 1466 N ALA A 103 12.496 -10.090 9.290 1.00 0.00 N ATOM 1467 CA ALA A 103 11.832 -11.093 8.467 1.00 0.00 C ATOM 1468 C ALA A 103 10.567 -11.610 9.145 1.00 0.00 C ATOM 1469 O ALA A 103 10.634 -12.295 10.166 1.00 0.00 O ATOM 1470 CB ALA A 103 12.781 -12.244 8.168 1.00 0.00 C ATOM 0 H ALA A 103 13.441 -10.341 9.580 1.00 0.00 H new ATOM 0 HA ALA A 103 11.543 -10.622 7.527 1.00 0.00 H new ATOM 0 HB1 ALA A 103 12.271 -12.985 7.553 1.00 0.00 H new ATOM 0 HB2 ALA A 103 13.653 -11.867 7.634 1.00 0.00 H new ATOM 0 HB3 ALA A 103 13.099 -12.705 9.103 1.00 0.00 H new ATOM 1476 N THR A 104 9.415 -11.278 8.571 1.00 0.00 N ATOM 1477 CA THR A 104 8.136 -11.707 9.121 1.00 0.00 C ATOM 1478 C THR A 104 7.192 -12.172 8.019 1.00 0.00 C ATOM 1479 O THR A 104 7.183 -11.618 6.920 1.00 0.00 O ATOM 1480 CB THR A 104 7.458 -10.575 9.917 1.00 0.00 C ATOM 1481 OG1 THR A 104 7.639 -9.325 9.241 1.00 0.00 O ATOM 1482 CG2 THR A 104 8.031 -10.484 11.323 1.00 0.00 C ATOM 0 H THR A 104 9.342 -10.713 7.725 1.00 0.00 H new ATOM 0 HA THR A 104 8.345 -12.540 9.793 1.00 0.00 H new ATOM 0 HB THR A 104 6.394 -10.798 9.989 1.00 0.00 H new ATOM 0 HG1 THR A 104 8.572 -9.038 9.328 1.00 0.00 H new ATOM 0 HG21 THR A 104 7.537 -9.678 11.866 1.00 0.00 H new ATOM 0 HG22 THR A 104 7.867 -11.427 11.845 1.00 0.00 H new ATOM 0 HG23 THR A 104 9.101 -10.282 11.268 1.00 0.00 H new ATOM 1490 N ASN A 105 6.397 -13.195 8.319 1.00 0.00 N ATOM 1491 CA ASN A 105 5.449 -13.735 7.352 1.00 0.00 C ATOM 1492 C ASN A 105 4.150 -12.936 7.359 1.00 0.00 C ATOM 1493 O ASN A 105 3.643 -12.565 8.418 1.00 0.00 O ATOM 1494 CB ASN A 105 5.157 -15.206 7.660 1.00 0.00 C ATOM 1495 CG ASN A 105 4.930 -15.454 9.139 1.00 0.00 C ATOM 1496 OD1 ASN A 105 3.931 -15.011 9.706 1.00 0.00 O ATOM 1497 ND2 ASN A 105 5.859 -16.163 9.769 1.00 0.00 N ATOM 0 H ASN A 105 6.391 -13.666 9.224 1.00 0.00 H new ATOM 0 HA ASN A 105 5.896 -13.659 6.361 1.00 0.00 H new ATOM 0 HB2 ASN A 105 4.276 -15.523 7.102 1.00 0.00 H new ATOM 0 HB3 ASN A 105 5.990 -15.819 7.315 1.00 0.00 H new ATOM 0 HD21 ASN A 105 5.761 -16.361 10.765 1.00 0.00 H new ATOM 0 HD22 ASN A 105 6.670 -16.510 9.257 1.00 0.00 H new ATOM 1504 N ALA A 106 3.615 -12.674 6.171 1.00 0.00 N ATOM 1505 CA ALA A 106 2.374 -11.922 6.040 1.00 0.00 C ATOM 1506 C ALA A 106 1.618 -12.324 4.778 1.00 0.00 C ATOM 1507 O ALA A 106 2.223 -12.703 3.774 1.00 0.00 O ATOM 1508 CB ALA A 106 2.662 -10.428 6.032 1.00 0.00 C ATOM 0 H ALA A 106 4.023 -12.972 5.285 1.00 0.00 H new ATOM 0 HA ALA A 106 1.744 -12.156 6.898 1.00 0.00 H new ATOM 0 HB1 ALA A 106 1.726 -9.878 5.934 1.00 0.00 H new ATOM 0 HB2 ALA A 106 3.152 -10.147 6.964 1.00 0.00 H new ATOM 0 HB3 ALA A 106 3.314 -10.188 5.192 1.00 0.00 H new ATOM 1514 N LYS A 107 0.295 -12.240 4.835 1.00 0.00 N ATOM 1515 CA LYS A 107 -0.546 -12.594 3.697 1.00 0.00 C ATOM 1516 C LYS A 107 -0.884 -11.360 2.865 1.00 0.00 C ATOM 1517 O LYS A 107 -0.596 -11.307 1.670 1.00 0.00 O ATOM 1518 CB LYS A 107 -1.833 -13.268 4.177 1.00 0.00 C ATOM 1519 CG LYS A 107 -1.607 -14.631 4.807 1.00 0.00 C ATOM 1520 CD LYS A 107 -2.269 -15.736 4.000 1.00 0.00 C ATOM 1521 CE LYS A 107 -3.688 -16.002 4.479 1.00 0.00 C ATOM 1522 NZ LYS A 107 -4.433 -16.888 3.541 1.00 0.00 N ATOM 0 H LYS A 107 -0.220 -11.929 5.659 1.00 0.00 H new ATOM 0 HA LYS A 107 0.009 -13.292 3.070 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -2.325 -12.619 4.902 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -2.514 -13.376 3.332 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -0.537 -14.825 4.882 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -2.003 -14.634 5.822 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -2.286 -15.458 2.946 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -1.680 -16.649 4.080 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -3.658 -16.462 5.467 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -4.219 -15.056 4.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -5.395 -17.045 3.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -4.484 -16.438 2.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -3.940 -17.800 3.460 1.00 0.00 H new ATOM 1536 N PHE A 108 -1.496 -10.371 3.506 1.00 0.00 N ATOM 1537 CA PHE A 108 -1.874 -9.137 2.826 1.00 0.00 C ATOM 1538 C PHE A 108 -1.172 -7.935 3.450 1.00 0.00 C ATOM 1539 O PHE A 108 -0.929 -7.901 4.656 1.00 0.00 O ATOM 1540 CB PHE A 108 -3.390 -8.942 2.882 1.00 0.00 C ATOM 1541 CG PHE A 108 -4.159 -10.231 2.963 1.00 0.00 C ATOM 1542 CD1 PHE A 108 -3.897 -11.265 2.079 1.00 0.00 C ATOM 1543 CD2 PHE A 108 -5.141 -10.408 3.924 1.00 0.00 C ATOM 1544 CE1 PHE A 108 -4.602 -12.451 2.150 1.00 0.00 C ATOM 1545 CE2 PHE A 108 -5.849 -11.593 4.000 1.00 0.00 C ATOM 1546 CZ PHE A 108 -5.579 -12.615 3.113 1.00 0.00 C ATOM 0 H PHE A 108 -1.741 -10.399 4.496 1.00 0.00 H new ATOM 0 HA PHE A 108 -1.563 -9.216 1.784 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -3.637 -8.326 3.747 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -3.710 -8.392 1.997 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -3.133 -11.143 1.326 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -5.356 -9.612 4.621 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -4.390 -13.249 1.454 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -6.613 -11.719 4.753 1.00 0.00 H new ATOM 0 HZ PHE A 108 -6.131 -13.542 3.171 1.00 0.00 H new ATOM 1556 N VAL A 109 -0.848 -6.949 2.619 1.00 0.00 N ATOM 1557 CA VAL A 109 -0.173 -5.745 3.088 1.00 0.00 C ATOM 1558 C VAL A 109 -1.036 -4.509 2.860 1.00 0.00 C ATOM 1559 O VAL A 109 -1.345 -4.156 1.722 1.00 0.00 O ATOM 1560 CB VAL A 109 1.182 -5.550 2.382 1.00 0.00 C ATOM 1561 CG1 VAL A 109 2.228 -6.486 2.966 1.00 0.00 C ATOM 1562 CG2 VAL A 109 1.038 -5.765 0.883 1.00 0.00 C ATOM 0 H VAL A 109 -1.042 -6.961 1.618 1.00 0.00 H new ATOM 0 HA VAL A 109 -0.001 -5.873 4.157 1.00 0.00 H new ATOM 0 HB VAL A 109 1.514 -4.525 2.548 1.00 0.00 H new ATOM 0 HG11 VAL A 109 3.179 -6.334 2.455 1.00 0.00 H new ATOM 0 HG12 VAL A 109 2.350 -6.277 4.029 1.00 0.00 H new ATOM 0 HG13 VAL A 109 1.906 -7.519 2.834 1.00 0.00 H new ATOM 0 HG21 VAL A 109 2.005 -5.623 0.401 1.00 0.00 H new ATOM 0 HG22 VAL A 109 0.683 -6.778 0.693 1.00 0.00 H new ATOM 0 HG23 VAL A 109 0.323 -5.048 0.480 1.00 0.00 H new ATOM 1572 N ARG A 110 -1.421 -3.853 3.950 1.00 0.00 N ATOM 1573 CA ARG A 110 -2.249 -2.656 3.870 1.00 0.00 C ATOM 1574 C ARG A 110 -1.462 -1.421 4.300 1.00 0.00 C ATOM 1575 O ARG A 110 -0.740 -1.448 5.296 1.00 0.00 O ATOM 1576 CB ARG A 110 -3.493 -2.811 4.745 1.00 0.00 C ATOM 1577 CG ARG A 110 -3.213 -3.450 6.096 1.00 0.00 C ATOM 1578 CD ARG A 110 -3.648 -4.906 6.125 1.00 0.00 C ATOM 1579 NE ARG A 110 -5.069 -5.058 5.820 1.00 0.00 N ATOM 1580 CZ ARG A 110 -5.784 -6.124 6.164 1.00 0.00 C ATOM 1581 NH1 ARG A 110 -5.214 -7.124 6.822 1.00 0.00 N ATOM 1582 NH2 ARG A 110 -7.072 -6.188 5.852 1.00 0.00 N ATOM 0 H ARG A 110 -1.172 -4.131 4.899 1.00 0.00 H new ATOM 0 HA ARG A 110 -2.557 -2.527 2.832 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -3.940 -1.830 4.903 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -4.228 -3.415 4.213 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -2.148 -3.383 6.317 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -3.736 -2.897 6.876 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -3.060 -5.475 5.405 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -3.441 -5.327 7.109 1.00 0.00 H new ATOM 0 HE ARG A 110 -5.537 -4.305 5.316 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -4.225 -7.076 7.065 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -5.765 -7.941 7.085 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -7.513 -5.419 5.348 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -7.621 -7.006 6.116 1.00 0.00 H new ATOM 1596 N VAL A 111 -1.606 -0.340 3.539 1.00 0.00 N ATOM 1597 CA VAL A 111 -0.910 0.906 3.841 1.00 0.00 C ATOM 1598 C VAL A 111 -1.879 2.082 3.877 1.00 0.00 C ATOM 1599 O VAL A 111 -2.588 2.345 2.906 1.00 0.00 O ATOM 1600 CB VAL A 111 0.195 1.195 2.808 1.00 0.00 C ATOM 1601 CG1 VAL A 111 1.186 2.209 3.358 1.00 0.00 C ATOM 1602 CG2 VAL A 111 0.901 -0.091 2.408 1.00 0.00 C ATOM 0 H VAL A 111 -2.198 -0.302 2.709 1.00 0.00 H new ATOM 0 HA VAL A 111 -0.455 0.785 4.824 1.00 0.00 H new ATOM 0 HB VAL A 111 -0.267 1.620 1.917 1.00 0.00 H new ATOM 0 HG11 VAL A 111 1.960 2.401 2.615 1.00 0.00 H new ATOM 0 HG12 VAL A 111 0.665 3.138 3.589 1.00 0.00 H new ATOM 0 HG13 VAL A 111 1.644 1.815 4.265 1.00 0.00 H new ATOM 0 HG21 VAL A 111 1.678 0.133 1.678 1.00 0.00 H new ATOM 0 HG22 VAL A 111 1.352 -0.548 3.289 1.00 0.00 H new ATOM 0 HG23 VAL A 111 0.180 -0.781 1.970 1.00 0.00 H new ATOM 1612 N TYR A 112 -1.905 2.786 5.003 1.00 0.00 N ATOM 1613 CA TYR A 112 -2.788 3.934 5.168 1.00 0.00 C ATOM 1614 C TYR A 112 -2.010 5.155 5.649 1.00 0.00 C ATOM 1615 O TYR A 112 -0.964 5.028 6.284 1.00 0.00 O ATOM 1616 CB TYR A 112 -3.907 3.605 6.156 1.00 0.00 C ATOM 1617 CG TYR A 112 -3.474 3.666 7.604 1.00 0.00 C ATOM 1618 CD1 TYR A 112 -3.444 4.873 8.291 1.00 0.00 C ATOM 1619 CD2 TYR A 112 -3.095 2.515 8.284 1.00 0.00 C ATOM 1620 CE1 TYR A 112 -3.048 4.933 9.613 1.00 0.00 C ATOM 1621 CE2 TYR A 112 -2.699 2.566 9.607 1.00 0.00 C ATOM 1622 CZ TYR A 112 -2.677 3.777 10.267 1.00 0.00 C ATOM 1623 OH TYR A 112 -2.283 3.831 11.584 1.00 0.00 O ATOM 0 H TYR A 112 -1.324 2.581 5.816 1.00 0.00 H new ATOM 0 HA TYR A 112 -3.227 4.166 4.197 1.00 0.00 H new ATOM 0 HB2 TYR A 112 -4.732 4.301 6.003 1.00 0.00 H new ATOM 0 HB3 TYR A 112 -4.288 2.607 5.941 1.00 0.00 H new ATOM 0 HD1 TYR A 112 -3.735 5.780 7.783 1.00 0.00 H new ATOM 0 HD2 TYR A 112 -3.110 1.565 7.770 1.00 0.00 H new ATOM 0 HE1 TYR A 112 -3.029 5.880 10.132 1.00 0.00 H new ATOM 0 HE2 TYR A 112 -2.408 1.662 10.122 1.00 0.00 H new ATOM 0 HH TYR A 112 -2.056 2.930 11.895 1.00 0.00 H new ATOM 1633 N ALA A 113 -2.531 6.339 5.342 1.00 0.00 N ATOM 1634 CA ALA A 113 -1.889 7.584 5.745 1.00 0.00 C ATOM 1635 C ALA A 113 -2.876 8.506 6.453 1.00 0.00 C ATOM 1636 O ALA A 113 -3.682 9.181 5.812 1.00 0.00 O ATOM 1637 CB ALA A 113 -1.286 8.282 4.536 1.00 0.00 C ATOM 0 H ALA A 113 -3.396 6.462 4.815 1.00 0.00 H new ATOM 0 HA ALA A 113 -1.091 7.342 6.446 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -0.810 9.210 4.852 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -0.543 7.632 4.074 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -2.072 8.505 3.815 1.00 0.00 H new ATOM 1643 N THR A 114 -2.808 8.530 7.781 1.00 0.00 N ATOM 1644 CA THR A 114 -3.696 9.368 8.576 1.00 0.00 C ATOM 1645 C THR A 114 -3.677 10.811 8.085 1.00 0.00 C ATOM 1646 O THR A 114 -4.635 11.560 8.285 1.00 0.00 O ATOM 1647 CB THR A 114 -3.309 9.341 10.066 1.00 0.00 C ATOM 1648 OG1 THR A 114 -4.123 10.262 10.801 1.00 0.00 O ATOM 1649 CG2 THR A 114 -1.842 9.694 10.251 1.00 0.00 C ATOM 0 H THR A 114 -2.147 7.978 8.328 1.00 0.00 H new ATOM 0 HA THR A 114 -4.701 8.961 8.461 1.00 0.00 H new ATOM 0 HB THR A 114 -3.473 8.331 10.442 1.00 0.00 H new ATOM 0 HG1 THR A 114 -3.871 10.237 11.748 1.00 0.00 H new ATOM 0 HG21 THR A 114 -1.593 9.668 11.312 1.00 0.00 H new ATOM 0 HG22 THR A 114 -1.224 8.973 9.715 1.00 0.00 H new ATOM 0 HG23 THR A 114 -1.656 10.694 9.859 1.00 0.00 H new ATOM 1657 N THR A 115 -2.581 11.198 7.439 1.00 0.00 N ATOM 1658 CA THR A 115 -2.437 12.551 6.919 1.00 0.00 C ATOM 1659 C THR A 115 -3.031 12.668 5.519 1.00 0.00 C ATOM 1660 O THR A 115 -3.270 11.663 4.850 1.00 0.00 O ATOM 1661 CB THR A 115 -0.959 12.982 6.875 1.00 0.00 C ATOM 1662 OG1 THR A 115 -0.847 14.292 6.308 1.00 0.00 O ATOM 1663 CG2 THR A 115 -0.132 11.999 6.059 1.00 0.00 C ATOM 0 H THR A 115 -1.780 10.592 7.264 1.00 0.00 H new ATOM 0 HA THR A 115 -2.979 13.210 7.597 1.00 0.00 H new ATOM 0 HB THR A 115 -0.577 12.994 7.896 1.00 0.00 H new ATOM 0 HG1 THR A 115 -0.785 14.222 5.333 1.00 0.00 H new ATOM 0 HG21 THR A 115 0.908 12.325 6.042 1.00 0.00 H new ATOM 0 HG22 THR A 115 -0.195 11.009 6.510 1.00 0.00 H new ATOM 0 HG23 THR A 115 -0.516 11.959 5.040 1.00 0.00 H new ATOM 1671 N ARG A 116 -3.266 13.901 5.083 1.00 0.00 N ATOM 1672 CA ARG A 116 -3.832 14.150 3.763 1.00 0.00 C ATOM 1673 C ARG A 116 -2.731 14.428 2.743 1.00 0.00 C ATOM 1674 O ARG A 116 -1.854 15.260 2.972 1.00 0.00 O ATOM 1675 CB ARG A 116 -4.804 15.329 3.814 1.00 0.00 C ATOM 1676 CG ARG A 116 -5.648 15.367 5.078 1.00 0.00 C ATOM 1677 CD ARG A 116 -6.622 16.536 5.062 1.00 0.00 C ATOM 1678 NE ARG A 116 -7.984 16.109 4.748 1.00 0.00 N ATOM 1679 CZ ARG A 116 -8.963 16.951 4.438 1.00 0.00 C ATOM 1680 NH1 ARG A 116 -8.734 18.256 4.400 1.00 0.00 N ATOM 1681 NH2 ARG A 116 -10.176 16.487 4.163 1.00 0.00 N ATOM 0 H ARG A 116 -3.073 14.743 5.625 1.00 0.00 H new ATOM 0 HA ARG A 116 -4.373 13.256 3.454 1.00 0.00 H new ATOM 0 HB2 ARG A 116 -4.240 16.258 3.736 1.00 0.00 H new ATOM 0 HB3 ARG A 116 -5.464 15.283 2.948 1.00 0.00 H new ATOM 0 HG2 ARG A 116 -6.201 14.433 5.176 1.00 0.00 H new ATOM 0 HG3 ARG A 116 -4.998 15.446 5.949 1.00 0.00 H new ATOM 0 HD2 ARG A 116 -6.612 17.030 6.034 1.00 0.00 H new ATOM 0 HD3 ARG A 116 -6.294 17.271 4.327 1.00 0.00 H new ATOM 0 HE ARG A 116 -8.194 15.111 4.768 1.00 0.00 H new ATOM 0 HH11 ARG A 116 -7.803 18.617 4.609 1.00 0.00 H new ATOM 0 HH12 ARG A 116 -9.489 18.899 4.161 1.00 0.00 H new ATOM 0 HH21 ARG A 116 -10.356 15.483 4.190 1.00 0.00 H new ATOM 0 HH22 ARG A 116 -10.928 17.134 3.925 1.00 0.00 H new ATOM 1695 N ALA A 117 -2.784 13.726 1.616 1.00 0.00 N ATOM 1696 CA ALA A 117 -1.793 13.898 0.561 1.00 0.00 C ATOM 1697 C ALA A 117 -1.916 15.274 -0.087 1.00 0.00 C ATOM 1698 O ALA A 117 -1.183 16.202 0.258 1.00 0.00 O ATOM 1699 CB ALA A 117 -1.942 12.805 -0.486 1.00 0.00 C ATOM 0 H ALA A 117 -3.503 13.032 1.410 1.00 0.00 H new ATOM 0 HA ALA A 117 -0.803 13.823 1.010 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -1.196 12.946 -1.268 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -1.798 11.831 -0.018 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -2.939 12.854 -0.923 1.00 0.00 H new ATOM 1705 N THR A 118 -2.846 15.399 -1.030 1.00 0.00 N ATOM 1706 CA THR A 118 -3.062 16.660 -1.727 1.00 0.00 C ATOM 1707 C THR A 118 -4.277 16.580 -2.644 1.00 0.00 C ATOM 1708 O THR A 118 -5.037 15.612 -2.600 1.00 0.00 O ATOM 1709 CB THR A 118 -1.830 17.061 -2.559 1.00 0.00 C ATOM 1710 OG1 THR A 118 -0.808 16.064 -2.433 1.00 0.00 O ATOM 1711 CG2 THR A 118 -1.287 18.409 -2.109 1.00 0.00 C ATOM 0 H THR A 118 -3.461 14.642 -1.328 1.00 0.00 H new ATOM 0 HA THR A 118 -3.236 17.417 -0.963 1.00 0.00 H new ATOM 0 HB THR A 118 -2.135 17.140 -3.603 1.00 0.00 H new ATOM 0 HG1 THR A 118 -0.028 16.325 -2.966 1.00 0.00 H new ATOM 0 HG21 THR A 118 -0.417 18.670 -2.712 1.00 0.00 H new ATOM 0 HG22 THR A 118 -2.057 19.171 -2.233 1.00 0.00 H new ATOM 0 HG23 THR A 118 -0.998 18.353 -1.060 1.00 0.00 H new ATOM 1719 N ALA A 119 -4.453 17.600 -3.477 1.00 0.00 N ATOM 1720 CA ALA A 119 -5.573 17.643 -4.407 1.00 0.00 C ATOM 1721 C ALA A 119 -5.557 16.439 -5.343 1.00 0.00 C ATOM 1722 O ALA A 119 -6.573 16.096 -5.948 1.00 0.00 O ATOM 1723 CB ALA A 119 -5.546 18.936 -5.209 1.00 0.00 C ATOM 0 H ALA A 119 -3.833 18.408 -3.526 1.00 0.00 H new ATOM 0 HA ALA A 119 -6.495 17.608 -3.826 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -6.389 18.953 -5.900 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -5.615 19.786 -4.531 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -4.615 18.996 -5.772 1.00 0.00 H new ATOM 1729 N TYR A 120 -4.397 15.801 -5.457 1.00 0.00 N ATOM 1730 CA TYR A 120 -4.248 14.636 -6.322 1.00 0.00 C ATOM 1731 C TYR A 120 -4.438 13.344 -5.534 1.00 0.00 C ATOM 1732 O TYR A 120 -3.968 12.282 -5.937 1.00 0.00 O ATOM 1733 CB TYR A 120 -2.870 14.643 -6.987 1.00 0.00 C ATOM 1734 CG TYR A 120 -2.880 14.124 -8.407 1.00 0.00 C ATOM 1735 CD1 TYR A 120 -3.786 13.149 -8.805 1.00 0.00 C ATOM 1736 CD2 TYR A 120 -1.984 14.609 -9.351 1.00 0.00 C ATOM 1737 CE1 TYR A 120 -3.799 12.672 -10.102 1.00 0.00 C ATOM 1738 CE2 TYR A 120 -1.990 14.140 -10.650 1.00 0.00 C ATOM 1739 CZ TYR A 120 -2.899 13.170 -11.020 1.00 0.00 C ATOM 1740 OH TYR A 120 -2.910 12.699 -12.313 1.00 0.00 O ATOM 0 H TYR A 120 -3.547 16.071 -4.962 1.00 0.00 H new ATOM 0 HA TYR A 120 -5.017 14.686 -7.093 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -2.480 15.661 -6.984 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -2.186 14.037 -6.393 1.00 0.00 H new ATOM 0 HD1 TYR A 120 -4.492 12.757 -8.088 1.00 0.00 H new ATOM 0 HD2 TYR A 120 -1.270 15.367 -9.064 1.00 0.00 H new ATOM 0 HE1 TYR A 120 -4.510 11.914 -10.395 1.00 0.00 H new ATOM 0 HE2 TYR A 120 -1.288 14.530 -11.372 1.00 0.00 H new ATOM 0 HH TYR A 120 -2.214 13.153 -12.833 1.00 0.00 H new ATOM 1750 N GLY A 121 -5.135 13.445 -4.405 1.00 0.00 N ATOM 1751 CA GLY A 121 -5.378 12.278 -3.577 1.00 0.00 C ATOM 1752 C GLY A 121 -4.115 11.483 -3.311 1.00 0.00 C ATOM 1753 O GLY A 121 -3.052 12.056 -3.067 1.00 0.00 O ATOM 0 H GLY A 121 -5.535 14.313 -4.050 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -5.812 12.593 -2.628 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -6.112 11.636 -4.065 1.00 0.00 H new ATOM 1757 N TYR A 122 -4.230 10.161 -3.354 1.00 0.00 N ATOM 1758 CA TYR A 122 -3.089 9.285 -3.112 1.00 0.00 C ATOM 1759 C TYR A 122 -2.546 8.723 -4.421 1.00 0.00 C ATOM 1760 O TYR A 122 -3.284 8.132 -5.210 1.00 0.00 O ATOM 1761 CB TYR A 122 -3.487 8.141 -2.178 1.00 0.00 C ATOM 1762 CG TYR A 122 -3.493 8.527 -0.716 1.00 0.00 C ATOM 1763 CD1 TYR A 122 -3.766 9.831 -0.323 1.00 0.00 C ATOM 1764 CD2 TYR A 122 -3.225 7.587 0.271 1.00 0.00 C ATOM 1765 CE1 TYR A 122 -3.772 10.188 1.012 1.00 0.00 C ATOM 1766 CE2 TYR A 122 -3.230 7.934 1.609 1.00 0.00 C ATOM 1767 CZ TYR A 122 -3.503 9.236 1.974 1.00 0.00 C ATOM 1768 OH TYR A 122 -3.509 9.587 3.304 1.00 0.00 O ATOM 0 H TYR A 122 -5.102 9.671 -3.554 1.00 0.00 H new ATOM 0 HA TYR A 122 -2.304 9.875 -2.639 1.00 0.00 H new ATOM 0 HB2 TYR A 122 -4.479 7.785 -2.455 1.00 0.00 H new ATOM 0 HB3 TYR A 122 -2.798 7.309 -2.323 1.00 0.00 H new ATOM 0 HD1 TYR A 122 -3.977 10.578 -1.073 1.00 0.00 H new ATOM 0 HD2 TYR A 122 -3.009 6.567 -0.012 1.00 0.00 H new ATOM 0 HE1 TYR A 122 -3.986 11.206 1.301 1.00 0.00 H new ATOM 0 HE2 TYR A 122 -3.021 7.190 2.364 1.00 0.00 H new ATOM 0 HH TYR A 122 -3.385 10.556 3.387 1.00 0.00 H new ATOM 1778 N SER A 123 -1.249 8.910 -4.646 1.00 0.00 N ATOM 1779 CA SER A 123 -0.605 8.425 -5.860 1.00 0.00 C ATOM 1780 C SER A 123 0.467 7.390 -5.531 1.00 0.00 C ATOM 1781 O SER A 123 1.081 7.433 -4.465 1.00 0.00 O ATOM 1782 CB SER A 123 0.015 9.589 -6.635 1.00 0.00 C ATOM 1783 OG SER A 123 -0.988 10.433 -7.175 1.00 0.00 O ATOM 0 H SER A 123 -0.624 9.395 -4.002 1.00 0.00 H new ATOM 0 HA SER A 123 -1.366 7.950 -6.479 1.00 0.00 H new ATOM 0 HB2 SER A 123 0.663 10.165 -5.975 1.00 0.00 H new ATOM 0 HB3 SER A 123 0.641 9.202 -7.439 1.00 0.00 H new ATOM 0 HG SER A 123 -0.567 11.170 -7.664 1.00 0.00 H new ATOM 1789 N LEU A 124 0.686 6.461 -6.454 1.00 0.00 N ATOM 1790 CA LEU A 124 1.685 5.414 -6.264 1.00 0.00 C ATOM 1791 C LEU A 124 1.994 4.711 -7.582 1.00 0.00 C ATOM 1792 O LEU A 124 1.162 3.978 -8.117 1.00 0.00 O ATOM 1793 CB LEU A 124 1.195 4.397 -5.233 1.00 0.00 C ATOM 1794 CG LEU A 124 1.963 3.076 -5.175 1.00 0.00 C ATOM 1795 CD1 LEU A 124 1.374 2.072 -6.152 1.00 0.00 C ATOM 1796 CD2 LEU A 124 3.439 3.305 -5.468 1.00 0.00 C ATOM 0 H LEU A 124 0.186 6.411 -7.342 1.00 0.00 H new ATOM 0 HA LEU A 124 2.600 5.880 -5.899 1.00 0.00 H new ATOM 0 HB2 LEU A 124 1.235 4.861 -4.247 1.00 0.00 H new ATOM 0 HB3 LEU A 124 0.148 4.176 -5.439 1.00 0.00 H new ATOM 0 HG LEU A 124 1.871 2.668 -4.168 1.00 0.00 H new ATOM 0 HD11 LEU A 124 1.934 1.138 -6.096 1.00 0.00 H new ATOM 0 HD12 LEU A 124 0.331 1.885 -5.897 1.00 0.00 H new ATOM 0 HD13 LEU A 124 1.434 2.471 -7.164 1.00 0.00 H new ATOM 0 HD21 LEU A 124 3.971 2.355 -5.423 1.00 0.00 H new ATOM 0 HD22 LEU A 124 3.550 3.736 -6.463 1.00 0.00 H new ATOM 0 HD23 LEU A 124 3.855 3.989 -4.728 1.00 0.00 H new ATOM 1808 N TRP A 125 3.196 4.937 -8.098 1.00 0.00 N ATOM 1809 CA TRP A 125 3.617 4.323 -9.353 1.00 0.00 C ATOM 1810 C TRP A 125 4.708 3.286 -9.112 1.00 0.00 C ATOM 1811 O TRP A 125 4.893 2.371 -9.914 1.00 0.00 O ATOM 1812 CB TRP A 125 4.117 5.392 -10.326 1.00 0.00 C ATOM 1813 CG TRP A 125 3.113 6.474 -10.588 1.00 0.00 C ATOM 1814 CD1 TRP A 125 1.783 6.452 -10.274 1.00 0.00 C ATOM 1815 CD2 TRP A 125 3.357 7.736 -11.219 1.00 0.00 C ATOM 1816 NE1 TRP A 125 1.187 7.623 -10.673 1.00 0.00 N ATOM 1817 CE2 TRP A 125 2.131 8.428 -11.253 1.00 0.00 C ATOM 1818 CE3 TRP A 125 4.492 8.348 -11.756 1.00 0.00 C ATOM 1819 CZ2 TRP A 125 2.011 9.701 -11.805 1.00 0.00 C ATOM 1820 CZ3 TRP A 125 4.371 9.612 -12.303 1.00 0.00 C ATOM 1821 CH2 TRP A 125 3.138 10.277 -12.324 1.00 0.00 C ATOM 0 H TRP A 125 3.897 5.541 -7.668 1.00 0.00 H new ATOM 0 HA TRP A 125 2.754 3.820 -9.790 1.00 0.00 H new ATOM 0 HB2 TRP A 125 5.027 5.840 -9.926 1.00 0.00 H new ATOM 0 HB3 TRP A 125 4.384 4.917 -11.270 1.00 0.00 H new ATOM 0 HD1 TRP A 125 1.276 5.634 -9.784 1.00 0.00 H new ATOM 0 HE1 TRP A 125 0.201 7.856 -10.556 1.00 0.00 H new ATOM 0 HE3 TRP A 125 5.447 7.843 -11.744 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 1.062 10.215 -11.823 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 5.242 10.095 -12.721 1.00 0.00 H new ATOM 0 HH2 TRP A 125 3.076 11.264 -12.758 1.00 0.00 H new ATOM 1832 N GLU A 126 5.428 3.437 -8.005 1.00 0.00 N ATOM 1833 CA GLU A 126 6.502 2.513 -7.661 1.00 0.00 C ATOM 1834 C GLU A 126 6.223 1.826 -6.327 1.00 0.00 C ATOM 1835 O GLU A 126 6.593 2.331 -5.267 1.00 0.00 O ATOM 1836 CB GLU A 126 7.841 3.252 -7.597 1.00 0.00 C ATOM 1837 CG GLU A 126 8.590 3.269 -8.919 1.00 0.00 C ATOM 1838 CD GLU A 126 9.203 4.622 -9.224 1.00 0.00 C ATOM 1839 OE1 GLU A 126 8.449 5.616 -9.277 1.00 0.00 O ATOM 1840 OE2 GLU A 126 10.436 4.685 -9.412 1.00 0.00 O ATOM 0 H GLU A 126 5.287 4.190 -7.332 1.00 0.00 H new ATOM 0 HA GLU A 126 6.553 1.751 -8.439 1.00 0.00 H new ATOM 0 HB2 GLU A 126 7.665 4.279 -7.275 1.00 0.00 H new ATOM 0 HB3 GLU A 126 8.469 2.784 -6.839 1.00 0.00 H new ATOM 0 HG2 GLU A 126 9.376 2.515 -8.897 1.00 0.00 H new ATOM 0 HG3 GLU A 126 7.907 2.994 -9.723 1.00 0.00 H new ATOM 1847 N PHE A 127 5.567 0.672 -6.387 1.00 0.00 N ATOM 1848 CA PHE A 127 5.237 -0.084 -5.185 1.00 0.00 C ATOM 1849 C PHE A 127 5.798 -1.500 -5.261 1.00 0.00 C ATOM 1850 O PHE A 127 5.272 -2.350 -5.980 1.00 0.00 O ATOM 1851 CB PHE A 127 3.720 -0.134 -4.990 1.00 0.00 C ATOM 1852 CG PHE A 127 3.307 -0.588 -3.619 1.00 0.00 C ATOM 1853 CD1 PHE A 127 3.392 -1.925 -3.263 1.00 0.00 C ATOM 1854 CD2 PHE A 127 2.834 0.321 -2.686 1.00 0.00 C ATOM 1855 CE1 PHE A 127 3.012 -2.346 -2.003 1.00 0.00 C ATOM 1856 CE2 PHE A 127 2.453 -0.095 -1.424 1.00 0.00 C ATOM 1857 CZ PHE A 127 2.543 -1.430 -1.082 1.00 0.00 C ATOM 0 H PHE A 127 5.253 0.240 -7.256 1.00 0.00 H new ATOM 0 HA PHE A 127 5.690 0.421 -4.332 1.00 0.00 H new ATOM 0 HB2 PHE A 127 3.305 0.856 -5.177 1.00 0.00 H new ATOM 0 HB3 PHE A 127 3.288 -0.806 -5.732 1.00 0.00 H new ATOM 0 HD1 PHE A 127 3.759 -2.646 -3.979 1.00 0.00 H new ATOM 0 HD2 PHE A 127 2.762 1.366 -2.948 1.00 0.00 H new ATOM 0 HE1 PHE A 127 3.082 -3.391 -1.739 1.00 0.00 H new ATOM 0 HE2 PHE A 127 2.085 0.623 -0.706 1.00 0.00 H new ATOM 0 HZ PHE A 127 2.247 -1.757 -0.096 1.00 0.00 H new ATOM 1867 N GLU A 128 6.870 -1.747 -4.515 1.00 0.00 N ATOM 1868 CA GLU A 128 7.504 -3.059 -4.499 1.00 0.00 C ATOM 1869 C GLU A 128 7.139 -3.825 -3.230 1.00 0.00 C ATOM 1870 O GLU A 128 7.409 -3.371 -2.118 1.00 0.00 O ATOM 1871 CB GLU A 128 9.024 -2.919 -4.602 1.00 0.00 C ATOM 1872 CG GLU A 128 9.472 -1.936 -5.671 1.00 0.00 C ATOM 1873 CD GLU A 128 8.977 -2.311 -7.054 1.00 0.00 C ATOM 1874 OE1 GLU A 128 9.466 -3.317 -7.607 1.00 0.00 O ATOM 1875 OE2 GLU A 128 8.099 -1.597 -7.583 1.00 0.00 O ATOM 0 H GLU A 128 7.317 -1.055 -3.914 1.00 0.00 H new ATOM 0 HA GLU A 128 7.139 -3.619 -5.360 1.00 0.00 H new ATOM 0 HB2 GLU A 128 9.417 -2.598 -3.637 1.00 0.00 H new ATOM 0 HB3 GLU A 128 9.457 -3.896 -4.814 1.00 0.00 H new ATOM 0 HG2 GLU A 128 9.110 -0.940 -5.418 1.00 0.00 H new ATOM 0 HG3 GLU A 128 10.561 -1.887 -5.680 1.00 0.00 H new ATOM 1882 N VAL A 129 6.521 -4.990 -3.406 1.00 0.00 N ATOM 1883 CA VAL A 129 6.119 -5.819 -2.276 1.00 0.00 C ATOM 1884 C VAL A 129 6.256 -7.301 -2.606 1.00 0.00 C ATOM 1885 O VAL A 129 5.537 -7.828 -3.456 1.00 0.00 O ATOM 1886 CB VAL A 129 4.665 -5.530 -1.858 1.00 0.00 C ATOM 1887 CG1 VAL A 129 3.749 -5.533 -3.072 1.00 0.00 C ATOM 1888 CG2 VAL A 129 4.198 -6.543 -0.823 1.00 0.00 C ATOM 0 H VAL A 129 6.288 -5.380 -4.319 1.00 0.00 H new ATOM 0 HA VAL A 129 6.784 -5.571 -1.448 1.00 0.00 H new ATOM 0 HB VAL A 129 4.625 -4.539 -1.407 1.00 0.00 H new ATOM 0 HG11 VAL A 129 2.726 -5.327 -2.757 1.00 0.00 H new ATOM 0 HG12 VAL A 129 4.074 -4.765 -3.775 1.00 0.00 H new ATOM 0 HG13 VAL A 129 3.790 -6.509 -3.556 1.00 0.00 H new ATOM 0 HG21 VAL A 129 3.169 -6.324 -0.539 1.00 0.00 H new ATOM 0 HG22 VAL A 129 4.252 -7.546 -1.246 1.00 0.00 H new ATOM 0 HG23 VAL A 129 4.838 -6.485 0.057 1.00 0.00 H new ATOM 1898 N TYR A 130 7.184 -7.968 -1.929 1.00 0.00 N ATOM 1899 CA TYR A 130 7.417 -9.391 -2.152 1.00 0.00 C ATOM 1900 C TYR A 130 8.562 -9.898 -1.282 1.00 0.00 C ATOM 1901 O TYR A 130 9.374 -9.117 -0.787 1.00 0.00 O ATOM 1902 CB TYR A 130 7.726 -9.653 -3.626 1.00 0.00 C ATOM 1903 CG TYR A 130 8.784 -8.735 -4.196 1.00 0.00 C ATOM 1904 CD1 TYR A 130 10.127 -8.913 -3.887 1.00 0.00 C ATOM 1905 CD2 TYR A 130 8.440 -7.689 -5.044 1.00 0.00 C ATOM 1906 CE1 TYR A 130 11.095 -8.075 -4.404 1.00 0.00 C ATOM 1907 CE2 TYR A 130 9.403 -6.849 -5.568 1.00 0.00 C ATOM 1908 CZ TYR A 130 10.729 -7.045 -5.244 1.00 0.00 C ATOM 1909 OH TYR A 130 11.691 -6.210 -5.763 1.00 0.00 O ATOM 0 H TYR A 130 7.787 -7.547 -1.222 1.00 0.00 H new ATOM 0 HA TYR A 130 6.510 -9.930 -1.877 1.00 0.00 H new ATOM 0 HB2 TYR A 130 8.053 -10.686 -3.742 1.00 0.00 H new ATOM 0 HB3 TYR A 130 6.810 -9.542 -4.206 1.00 0.00 H new ATOM 0 HD1 TYR A 130 10.419 -9.720 -3.232 1.00 0.00 H new ATOM 0 HD2 TYR A 130 7.402 -7.530 -5.297 1.00 0.00 H new ATOM 0 HE1 TYR A 130 12.134 -8.226 -4.151 1.00 0.00 H new ATOM 0 HE2 TYR A 130 9.119 -6.043 -6.228 1.00 0.00 H new ATOM 0 HH TYR A 130 11.266 -5.538 -6.336 1.00 0.00 H new ATOM 1919 N GLY A 131 8.622 -11.213 -1.100 1.00 0.00 N ATOM 1920 CA GLY A 131 9.672 -11.803 -0.290 1.00 0.00 C ATOM 1921 C GLY A 131 10.930 -12.084 -1.086 1.00 0.00 C ATOM 1922 O GLY A 131 11.222 -13.234 -1.415 1.00 0.00 O ATOM 0 H GLY A 131 7.962 -11.881 -1.499 1.00 0.00 H new ATOM 0 HA2 GLY A 131 9.910 -11.132 0.535 1.00 0.00 H new ATOM 0 HA3 GLY A 131 9.309 -12.732 0.149 1.00 0.00 H new