USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 755 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 65 ASN :FLIP amide:sc= 0 F(o=-5.9,f=-4.2) USER MOD Set 1.2: A 88 MET CE :methyl -126:sc= -4.22! (180deg=-7.04!) USER MOD Set 2.1: A 41 GLN : amide:sc= -0.159 K(o=-1.3,f=-2.2) USER MOD Set 2.2: A 42 THR OG1 : rot 180:sc= -1.17 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 170:sc= -0.102 USER MOD Single : A 19 SER OG : rot 123:sc= 0.842 USER MOD Single : A 23 MET CE :methyl -171:sc= -2.47 (180deg=-2.77!) USER MOD Single : A 29 MET CE :methyl -168:sc= 0 (180deg=-0.134) USER MOD Single : A 30 HIS : no HD1:sc= -0.0704 X(o=-0.07,f=0) USER MOD Single : A 31 THR OG1 : rot 59:sc= 0.265 USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 TYR OH : rot -54:sc= 1.07 USER MOD Single : A 47 SER OG : rot -81:sc= 0.781 USER MOD Single : A 56 SER OG : rot 57:sc= 1.24 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 35:sc= 0.471 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HD1:sc= -0.841 X(o=-0.84,f=-0.46) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 80:sc= -0.1 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 HIS : no HE2:sc= -5.1! C(o=-5.1!,f=-8.7!) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 7.705 4.931 -14.152 1.00 0.00 N ATOM 60 CA GLY A 7 8.068 3.582 -13.752 1.00 0.00 C ATOM 61 C GLY A 7 6.939 2.597 -14.060 1.00 0.00 C ATOM 62 O GLY A 7 6.023 2.914 -14.818 1.00 0.00 O ATOM 0 HA2 GLY A 7 8.975 3.276 -14.273 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.291 3.563 -12.685 1.00 0.00 H new ATOM 66 N TYR A 8 7.042 1.421 -13.458 1.00 0.00 N ATOM 67 CA TYR A 8 6.041 0.387 -13.659 1.00 0.00 C ATOM 68 C TYR A 8 5.175 0.212 -12.410 1.00 0.00 C ATOM 69 O TYR A 8 5.541 0.669 -11.327 1.00 0.00 O ATOM 70 CB TYR A 8 6.816 -0.907 -13.913 1.00 0.00 C ATOM 71 CG TYR A 8 7.845 -1.238 -12.830 1.00 0.00 C ATOM 72 CD1 TYR A 8 7.426 -1.552 -11.553 1.00 0.00 C ATOM 73 CD2 TYR A 8 9.192 -1.224 -13.131 1.00 0.00 C ATOM 74 CE1 TYR A 8 8.394 -1.864 -10.534 1.00 0.00 C ATOM 75 CE2 TYR A 8 10.160 -1.536 -12.112 1.00 0.00 C ATOM 76 CZ TYR A 8 9.714 -1.841 -10.864 1.00 0.00 C ATOM 77 OH TYR A 8 10.628 -2.136 -9.901 1.00 0.00 O ATOM 0 H TYR A 8 7.803 1.161 -12.831 1.00 0.00 H new ATOM 0 HA TYR A 8 5.381 0.648 -14.486 1.00 0.00 H new ATOM 0 HB2 TYR A 8 6.109 -1.733 -13.992 1.00 0.00 H new ATOM 0 HB3 TYR A 8 7.326 -0.831 -14.873 1.00 0.00 H new ATOM 0 HD1 TYR A 8 6.372 -1.564 -11.318 1.00 0.00 H new ATOM 0 HD2 TYR A 8 9.520 -0.979 -14.131 1.00 0.00 H new ATOM 0 HE1 TYR A 8 8.080 -2.111 -9.531 1.00 0.00 H new ATOM 0 HE2 TYR A 8 11.217 -1.528 -12.334 1.00 0.00 H new ATOM 0 HH TYR A 8 11.531 -2.082 -10.279 1.00 0.00 H new ATOM 87 N VAL A 9 4.043 -0.450 -12.601 1.00 0.00 N ATOM 88 CA VAL A 9 3.122 -0.691 -11.503 1.00 0.00 C ATOM 89 C VAL A 9 3.091 -2.188 -11.188 1.00 0.00 C ATOM 90 O VAL A 9 3.554 -3.003 -11.985 1.00 0.00 O ATOM 91 CB VAL A 9 1.743 -0.122 -11.842 1.00 0.00 C ATOM 92 CG1 VAL A 9 0.790 -0.248 -10.652 1.00 0.00 C ATOM 93 CG2 VAL A 9 1.849 1.331 -12.309 1.00 0.00 C ATOM 0 H VAL A 9 3.743 -0.827 -13.500 1.00 0.00 H new ATOM 0 HA VAL A 9 3.458 -0.177 -10.603 1.00 0.00 H new ATOM 0 HB VAL A 9 1.331 -0.708 -12.664 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -0.183 0.164 -10.920 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.678 -1.299 -10.385 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.195 0.301 -9.802 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.855 1.711 -12.544 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.292 1.936 -11.518 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.476 1.382 -13.199 1.00 0.00 H new ATOM 103 N PHE A 10 2.541 -2.504 -10.025 1.00 0.00 N ATOM 104 CA PHE A 10 2.444 -3.889 -9.596 1.00 0.00 C ATOM 105 C PHE A 10 1.194 -4.111 -8.742 1.00 0.00 C ATOM 106 O PHE A 10 0.863 -3.285 -7.892 1.00 0.00 O ATOM 107 CB PHE A 10 3.684 -4.183 -8.749 1.00 0.00 C ATOM 108 CG PHE A 10 3.692 -3.478 -7.391 1.00 0.00 C ATOM 109 CD1 PHE A 10 3.086 -4.058 -6.321 1.00 0.00 C ATOM 110 CD2 PHE A 10 4.305 -2.272 -7.255 1.00 0.00 C ATOM 111 CE1 PHE A 10 3.094 -3.403 -5.060 1.00 0.00 C ATOM 112 CE2 PHE A 10 4.313 -1.617 -5.995 1.00 0.00 C ATOM 113 CZ PHE A 10 3.707 -2.197 -4.924 1.00 0.00 C ATOM 0 H PHE A 10 2.158 -1.825 -9.367 1.00 0.00 H new ATOM 0 HA PHE A 10 2.380 -4.544 -10.465 1.00 0.00 H new ATOM 0 HB2 PHE A 10 3.755 -5.259 -8.589 1.00 0.00 H new ATOM 0 HB3 PHE A 10 4.572 -3.885 -9.307 1.00 0.00 H new ATOM 0 HD1 PHE A 10 2.599 -5.016 -6.429 1.00 0.00 H new ATOM 0 HD2 PHE A 10 4.786 -1.812 -8.106 1.00 0.00 H new ATOM 0 HE1 PHE A 10 2.613 -3.863 -4.209 1.00 0.00 H new ATOM 0 HE2 PHE A 10 4.800 -0.659 -5.887 1.00 0.00 H new ATOM 0 HZ PHE A 10 3.713 -1.699 -3.965 1.00 0.00 H new ATOM 123 N THR A 11 0.533 -5.231 -8.997 1.00 0.00 N ATOM 124 CA THR A 11 -0.673 -5.572 -8.263 1.00 0.00 C ATOM 125 C THR A 11 -0.317 -6.261 -6.943 1.00 0.00 C ATOM 126 O THR A 11 0.758 -6.844 -6.813 1.00 0.00 O ATOM 127 CB THR A 11 -1.556 -6.426 -9.174 1.00 0.00 C ATOM 128 OG1 THR A 11 -1.922 -5.542 -10.231 1.00 0.00 O ATOM 129 CG2 THR A 11 -2.889 -6.796 -8.520 1.00 0.00 C ATOM 0 H THR A 11 0.810 -5.914 -9.702 1.00 0.00 H new ATOM 0 HA THR A 11 -1.234 -4.679 -7.987 1.00 0.00 H new ATOM 0 HB THR A 11 -1.021 -7.336 -9.448 1.00 0.00 H new ATOM 0 HG1 THR A 11 -2.358 -6.050 -10.947 1.00 0.00 H new ATOM 0 HG21 THR A 11 -3.477 -7.402 -9.209 1.00 0.00 H new ATOM 0 HG22 THR A 11 -2.702 -7.363 -7.608 1.00 0.00 H new ATOM 0 HG23 THR A 11 -3.439 -5.887 -8.276 1.00 0.00 H new ATOM 137 N VAL A 12 -1.241 -6.170 -5.998 1.00 0.00 N ATOM 138 CA VAL A 12 -1.038 -6.777 -4.693 1.00 0.00 C ATOM 139 C VAL A 12 -2.333 -7.459 -4.246 1.00 0.00 C ATOM 140 O VAL A 12 -3.327 -6.791 -3.969 1.00 0.00 O ATOM 141 CB VAL A 12 -0.542 -5.726 -3.698 1.00 0.00 C ATOM 142 CG1 VAL A 12 0.462 -6.332 -2.716 1.00 0.00 C ATOM 143 CG2 VAL A 12 0.060 -4.523 -4.427 1.00 0.00 C ATOM 0 H VAL A 12 -2.132 -5.686 -6.110 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.267 -7.545 -4.745 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.400 -5.375 -3.125 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.799 -5.564 -2.020 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -0.014 -7.141 -2.162 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.318 -6.724 -3.266 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.405 -3.791 -3.697 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.901 -4.851 -5.037 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.697 -4.069 -5.067 1.00 0.00 H new ATOM 153 N GLU A 13 -2.278 -8.782 -4.190 1.00 0.00 N ATOM 154 CA GLU A 13 -3.434 -9.562 -3.782 1.00 0.00 C ATOM 155 C GLU A 13 -3.223 -10.127 -2.375 1.00 0.00 C ATOM 156 O GLU A 13 -2.433 -11.051 -2.185 1.00 0.00 O ATOM 157 CB GLU A 13 -3.722 -10.681 -4.784 1.00 0.00 C ATOM 158 CG GLU A 13 -4.437 -10.137 -6.023 1.00 0.00 C ATOM 159 CD GLU A 13 -5.058 -11.272 -6.840 1.00 0.00 C ATOM 160 OE1 GLU A 13 -5.762 -12.098 -6.221 1.00 0.00 O ATOM 161 OE2 GLU A 13 -4.815 -11.287 -8.066 1.00 0.00 O ATOM 0 H GLU A 13 -1.451 -9.333 -4.420 1.00 0.00 H new ATOM 0 HA GLU A 13 -4.303 -8.904 -3.762 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -2.788 -11.159 -5.079 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -4.337 -11.447 -4.312 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -5.214 -9.435 -5.720 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -3.730 -9.583 -6.641 1.00 0.00 H new ATOM 168 N LEU A 14 -3.943 -9.548 -1.426 1.00 0.00 N ATOM 169 CA LEU A 14 -3.845 -9.981 -0.042 1.00 0.00 C ATOM 170 C LEU A 14 -5.217 -10.457 0.437 1.00 0.00 C ATOM 171 O LEU A 14 -6.213 -10.305 -0.270 1.00 0.00 O ATOM 172 CB LEU A 14 -3.239 -8.875 0.824 1.00 0.00 C ATOM 173 CG LEU A 14 -1.983 -8.200 0.269 1.00 0.00 C ATOM 174 CD1 LEU A 14 -2.048 -6.683 0.458 1.00 0.00 C ATOM 175 CD2 LEU A 14 -0.719 -8.801 0.887 1.00 0.00 C ATOM 0 H LEU A 14 -4.597 -8.782 -1.588 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.166 -10.829 0.045 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.998 -8.109 0.984 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.000 -9.296 1.801 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.938 -8.390 -0.803 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.144 -6.227 0.055 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.918 -6.288 -0.066 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.129 -6.452 1.520 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.159 -8.303 0.475 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.741 -8.663 1.968 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.673 -9.866 0.659 1.00 0.00 H new ATOM 187 N GLU A 15 -5.227 -11.022 1.636 1.00 0.00 N ATOM 188 CA GLU A 15 -6.461 -11.520 2.218 1.00 0.00 C ATOM 189 C GLU A 15 -6.760 -10.794 3.532 1.00 0.00 C ATOM 190 O GLU A 15 -5.947 -10.813 4.454 1.00 0.00 O ATOM 191 CB GLU A 15 -6.395 -13.034 2.432 1.00 0.00 C ATOM 192 CG GLU A 15 -7.565 -13.518 3.290 1.00 0.00 C ATOM 193 CD GLU A 15 -7.850 -15.001 3.043 1.00 0.00 C ATOM 194 OE1 GLU A 15 -7.044 -15.822 3.532 1.00 0.00 O ATOM 195 OE2 GLU A 15 -8.866 -15.279 2.371 1.00 0.00 O ATOM 0 H GLU A 15 -4.400 -11.146 2.220 1.00 0.00 H new ATOM 0 HA GLU A 15 -7.275 -11.319 1.521 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -6.412 -13.542 1.468 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -5.453 -13.296 2.914 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -7.338 -13.358 4.344 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -8.455 -12.930 3.063 1.00 0.00 H new ATOM 202 N ARG A 16 -7.928 -10.170 3.574 1.00 0.00 N ATOM 203 CA ARG A 16 -8.343 -9.439 4.758 1.00 0.00 C ATOM 204 C ARG A 16 -7.923 -10.192 6.022 1.00 0.00 C ATOM 205 O ARG A 16 -8.600 -11.128 6.445 1.00 0.00 O ATOM 206 CB ARG A 16 -9.860 -9.234 4.776 1.00 0.00 C ATOM 207 CG ARG A 16 -10.227 -7.911 5.452 1.00 0.00 C ATOM 208 CD ARG A 16 -11.701 -7.570 5.225 1.00 0.00 C ATOM 209 NE ARG A 16 -12.411 -7.506 6.522 1.00 0.00 N ATOM 210 CZ ARG A 16 -13.743 -7.554 6.653 1.00 0.00 C ATOM 211 NH1 ARG A 16 -14.519 -7.667 5.566 1.00 0.00 N ATOM 212 NH2 ARG A 16 -14.300 -7.489 7.870 1.00 0.00 N ATOM 0 H ARG A 16 -8.600 -10.156 2.807 1.00 0.00 H new ATOM 0 HA ARG A 16 -7.856 -8.464 4.733 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -10.244 -9.244 3.756 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -10.336 -10.060 5.304 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -10.026 -7.977 6.521 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -9.600 -7.111 5.058 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -11.786 -6.615 4.707 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -12.162 -8.322 4.585 1.00 0.00 H new ATOM 0 HE ARG A 16 -11.850 -7.420 7.370 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -14.095 -7.716 4.640 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -15.534 -7.704 5.665 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -13.709 -7.403 8.697 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -15.315 -7.526 7.969 1.00 0.00 H new ATOM 226 N GLY A 17 -6.808 -9.756 6.589 1.00 0.00 N ATOM 227 CA GLY A 17 -6.290 -10.377 7.796 1.00 0.00 C ATOM 228 C GLY A 17 -7.167 -10.045 9.005 1.00 0.00 C ATOM 229 O GLY A 17 -8.208 -9.405 8.863 1.00 0.00 O ATOM 0 H GLY A 17 -6.249 -8.980 6.235 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -6.244 -11.458 7.662 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.271 -10.034 7.977 1.00 0.00 H new ATOM 233 N PRO A 18 -6.702 -10.506 10.196 1.00 0.00 N ATOM 234 CA PRO A 18 -7.433 -10.265 11.429 1.00 0.00 C ATOM 235 C PRO A 18 -7.269 -8.814 11.888 1.00 0.00 C ATOM 236 O PRO A 18 -7.910 -8.387 12.847 1.00 0.00 O ATOM 237 CB PRO A 18 -6.871 -11.269 12.422 1.00 0.00 C ATOM 238 CG PRO A 18 -5.535 -11.717 11.852 1.00 0.00 C ATOM 239 CD PRO A 18 -5.473 -11.268 10.402 1.00 0.00 C ATOM 0 HA PRO A 18 -8.509 -10.398 11.314 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -6.744 -10.816 13.405 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -7.546 -12.116 12.546 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -4.713 -11.284 12.421 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -5.435 -12.800 11.921 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -4.591 -10.655 10.215 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -5.418 -12.121 9.726 1.00 0.00 H new ATOM 247 N SER A 19 -6.409 -8.097 11.180 1.00 0.00 N ATOM 248 CA SER A 19 -6.153 -6.703 11.503 1.00 0.00 C ATOM 249 C SER A 19 -6.830 -5.795 10.474 1.00 0.00 C ATOM 250 O SER A 19 -6.977 -4.595 10.701 1.00 0.00 O ATOM 251 CB SER A 19 -4.651 -6.417 11.557 1.00 0.00 C ATOM 252 OG SER A 19 -3.939 -7.431 12.261 1.00 0.00 O ATOM 0 H SER A 19 -5.881 -8.455 10.384 1.00 0.00 H new ATOM 0 HA SER A 19 -6.570 -6.498 12.489 1.00 0.00 H new ATOM 0 HB2 SER A 19 -4.260 -6.338 10.542 1.00 0.00 H new ATOM 0 HB3 SER A 19 -4.482 -5.454 12.040 1.00 0.00 H new ATOM 0 HG SER A 19 -3.245 -7.806 11.680 1.00 0.00 H new ATOM 258 N GLY A 20 -7.224 -6.403 9.365 1.00 0.00 N ATOM 259 CA GLY A 20 -7.882 -5.664 8.300 1.00 0.00 C ATOM 260 C GLY A 20 -6.880 -5.249 7.221 1.00 0.00 C ATOM 261 O GLY A 20 -7.016 -4.185 6.620 1.00 0.00 O ATOM 0 H GLY A 20 -7.101 -7.399 9.180 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -8.666 -6.278 7.857 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -8.366 -4.778 8.712 1.00 0.00 H new ATOM 265 N LEU A 21 -5.897 -6.111 7.008 1.00 0.00 N ATOM 266 CA LEU A 21 -4.873 -5.848 6.011 1.00 0.00 C ATOM 267 C LEU A 21 -3.731 -5.060 6.656 1.00 0.00 C ATOM 268 O LEU A 21 -2.604 -5.078 6.163 1.00 0.00 O ATOM 269 CB LEU A 21 -5.481 -5.159 4.788 1.00 0.00 C ATOM 270 CG LEU A 21 -6.829 -5.704 4.312 1.00 0.00 C ATOM 271 CD1 LEU A 21 -7.804 -4.565 4.006 1.00 0.00 C ATOM 272 CD2 LEU A 21 -6.650 -6.642 3.117 1.00 0.00 C ATOM 0 H LEU A 21 -5.788 -6.993 7.509 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.449 -6.783 5.644 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.599 -4.099 5.014 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.771 -5.232 3.964 1.00 0.00 H new ATOM 0 HG LEU A 21 -7.264 -6.292 5.120 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -8.754 -4.980 3.670 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -7.965 -3.972 4.906 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -7.388 -3.930 3.224 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.623 -7.015 2.798 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.183 -6.099 2.295 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -6.016 -7.481 3.405 1.00 0.00 H new ATOM 284 N GLY A 22 -4.061 -4.388 7.749 1.00 0.00 N ATOM 285 CA GLY A 22 -3.077 -3.596 8.467 1.00 0.00 C ATOM 286 C GLY A 22 -2.317 -2.672 7.514 1.00 0.00 C ATOM 287 O GLY A 22 -1.090 -2.724 7.440 1.00 0.00 O ATOM 0 H GLY A 22 -4.997 -4.376 8.155 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -3.573 -3.003 9.236 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.375 -4.256 8.976 1.00 0.00 H new ATOM 291 N MET A 23 -3.076 -1.847 6.808 1.00 0.00 N ATOM 292 CA MET A 23 -2.489 -0.913 5.862 1.00 0.00 C ATOM 293 C MET A 23 -2.918 0.523 6.172 1.00 0.00 C ATOM 294 O MET A 23 -4.034 0.925 5.848 1.00 0.00 O ATOM 295 CB MET A 23 -2.926 -1.281 4.443 1.00 0.00 C ATOM 296 CG MET A 23 -1.713 -1.541 3.546 1.00 0.00 C ATOM 297 SD MET A 23 -2.237 -1.734 1.851 1.00 0.00 S ATOM 298 CE MET A 23 -3.847 -2.463 2.106 1.00 0.00 C ATOM 0 H MET A 23 -4.093 -1.806 6.872 1.00 0.00 H new ATOM 0 HA MET A 23 -1.404 -0.975 5.945 1.00 0.00 H new ATOM 0 HB2 MET A 23 -3.558 -2.168 4.472 1.00 0.00 H new ATOM 0 HB3 MET A 23 -3.527 -0.475 4.023 1.00 0.00 H new ATOM 0 HG2 MET A 23 -1.008 -0.714 3.625 1.00 0.00 H new ATOM 0 HG3 MET A 23 -1.190 -2.438 3.878 1.00 0.00 H new ATOM 0 HE1 MET A 23 -4.251 -2.797 1.150 1.00 0.00 H new ATOM 0 HE2 MET A 23 -3.758 -3.315 2.780 1.00 0.00 H new ATOM 0 HE3 MET A 23 -4.516 -1.723 2.544 1.00 0.00 H new ATOM 308 N GLY A 24 -2.007 1.256 6.796 1.00 0.00 N ATOM 309 CA GLY A 24 -2.277 2.639 7.153 1.00 0.00 C ATOM 310 C GLY A 24 -2.256 3.539 5.916 1.00 0.00 C ATOM 311 O GLY A 24 -1.299 4.280 5.700 1.00 0.00 O ATOM 0 H GLY A 24 -1.082 0.919 7.063 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.249 2.709 7.642 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -1.534 2.985 7.871 1.00 0.00 H new ATOM 315 N LEU A 25 -3.323 3.444 5.137 1.00 0.00 N ATOM 316 CA LEU A 25 -3.439 4.240 3.927 1.00 0.00 C ATOM 317 C LEU A 25 -3.934 5.642 4.290 1.00 0.00 C ATOM 318 O LEU A 25 -4.900 5.789 5.037 1.00 0.00 O ATOM 319 CB LEU A 25 -4.317 3.526 2.897 1.00 0.00 C ATOM 320 CG LEU A 25 -4.037 2.035 2.697 1.00 0.00 C ATOM 321 CD1 LEU A 25 -4.787 1.495 1.478 1.00 0.00 C ATOM 322 CD2 LEU A 25 -2.533 1.766 2.610 1.00 0.00 C ATOM 0 H LEU A 25 -4.115 2.828 5.320 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.464 4.357 3.454 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.359 3.643 3.193 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.200 4.030 1.937 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.410 1.498 3.569 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.571 0.433 1.359 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.859 1.633 1.620 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.467 2.033 0.586 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.362 0.699 2.468 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.113 2.316 1.768 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.051 2.091 3.532 1.00 0.00 H new ATOM 334 N ILE A 26 -3.250 6.636 3.744 1.00 0.00 N ATOM 335 CA ILE A 26 -3.608 8.021 4.000 1.00 0.00 C ATOM 336 C ILE A 26 -3.655 8.785 2.676 1.00 0.00 C ATOM 337 O ILE A 26 -3.088 8.341 1.678 1.00 0.00 O ATOM 338 CB ILE A 26 -2.661 8.637 5.032 1.00 0.00 C ATOM 339 CG1 ILE A 26 -3.188 9.986 5.523 1.00 0.00 C ATOM 340 CG2 ILE A 26 -1.239 8.744 4.477 1.00 0.00 C ATOM 341 CD1 ILE A 26 -2.846 10.205 6.999 1.00 0.00 C ATOM 0 H ILE A 26 -2.449 6.510 3.125 1.00 0.00 H new ATOM 0 HA ILE A 26 -4.604 8.082 4.439 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.620 7.974 5.896 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.758 10.788 4.924 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -4.268 10.030 5.386 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.587 9.185 5.231 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.874 7.750 4.218 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.242 9.373 3.587 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.232 11.172 7.322 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -3.298 9.415 7.598 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.764 10.185 7.129 1.00 0.00 H new ATOM 353 N ASP A 27 -4.336 9.921 2.709 1.00 0.00 N ATOM 354 CA ASP A 27 -4.464 10.751 1.523 1.00 0.00 C ATOM 355 C ASP A 27 -3.136 11.462 1.257 1.00 0.00 C ATOM 356 O ASP A 27 -2.681 12.261 2.074 1.00 0.00 O ATOM 357 CB ASP A 27 -5.542 11.820 1.713 1.00 0.00 C ATOM 358 CG ASP A 27 -6.515 11.972 0.542 1.00 0.00 C ATOM 359 OD1 ASP A 27 -6.051 12.426 -0.526 1.00 0.00 O ATOM 360 OD2 ASP A 27 -7.701 11.631 0.741 1.00 0.00 O ATOM 0 H ASP A 27 -4.805 10.286 3.538 1.00 0.00 H new ATOM 0 HA ASP A 27 -4.738 10.106 0.688 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -6.112 11.584 2.611 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -5.055 12.779 1.888 1.00 0.00 H new ATOM 365 N GLY A 28 -2.551 11.146 0.111 1.00 0.00 N ATOM 366 CA GLY A 28 -1.283 11.744 -0.272 1.00 0.00 C ATOM 367 C GLY A 28 -1.249 13.231 0.086 1.00 0.00 C ATOM 368 O GLY A 28 -0.181 13.789 0.334 1.00 0.00 O ATOM 0 H GLY A 28 -2.932 10.484 -0.565 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -0.466 11.226 0.231 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -1.127 11.620 -1.344 1.00 0.00 H new ATOM 372 N MET A 29 -2.430 13.831 0.102 1.00 0.00 N ATOM 373 CA MET A 29 -2.548 15.243 0.426 1.00 0.00 C ATOM 374 C MET A 29 -2.303 15.486 1.917 1.00 0.00 C ATOM 375 O MET A 29 -1.510 16.350 2.286 1.00 0.00 O ATOM 376 CB MET A 29 -3.947 15.737 0.051 1.00 0.00 C ATOM 377 CG MET A 29 -4.131 15.760 -1.468 1.00 0.00 C ATOM 378 SD MET A 29 -4.038 17.438 -2.069 1.00 0.00 S ATOM 379 CE MET A 29 -3.004 17.196 -3.504 1.00 0.00 C ATOM 0 H MET A 29 -3.314 13.365 -0.104 1.00 0.00 H new ATOM 0 HA MET A 29 -1.795 15.791 -0.140 1.00 0.00 H new ATOM 0 HB2 MET A 29 -4.699 15.089 0.502 1.00 0.00 H new ATOM 0 HB3 MET A 29 -4.104 16.737 0.455 1.00 0.00 H new ATOM 0 HG2 MET A 29 -3.363 15.151 -1.945 1.00 0.00 H new ATOM 0 HG3 MET A 29 -5.094 15.323 -1.733 1.00 0.00 H new ATOM 0 HE1 MET A 29 -2.669 18.163 -3.878 1.00 0.00 H new ATOM 0 HE2 MET A 29 -2.138 16.593 -3.231 1.00 0.00 H new ATOM 0 HE3 MET A 29 -3.573 16.684 -4.280 1.00 0.00 H new ATOM 389 N HIS A 30 -2.999 14.708 2.733 1.00 0.00 N ATOM 390 CA HIS A 30 -2.868 14.827 4.175 1.00 0.00 C ATOM 391 C HIS A 30 -1.390 14.749 4.563 1.00 0.00 C ATOM 392 O HIS A 30 -0.926 15.510 5.411 1.00 0.00 O ATOM 393 CB HIS A 30 -3.725 13.779 4.887 1.00 0.00 C ATOM 394 CG HIS A 30 -5.210 13.956 4.679 1.00 0.00 C ATOM 395 ND1 HIS A 30 -6.153 13.139 5.278 1.00 0.00 N ATOM 396 CD2 HIS A 30 -5.904 14.864 3.934 1.00 0.00 C ATOM 397 CE1 HIS A 30 -7.357 13.545 4.902 1.00 0.00 C ATOM 398 NE2 HIS A 30 -7.200 14.614 4.069 1.00 0.00 N ATOM 0 H HIS A 30 -3.656 13.992 2.422 1.00 0.00 H new ATOM 0 HA HIS A 30 -3.242 15.798 4.500 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -3.435 12.788 4.537 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -3.511 13.815 5.955 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -5.472 15.653 3.336 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -8.297 13.107 5.202 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -7.955 15.135 3.623 1.00 0.00 H new ATOM 406 N THR A 31 -0.692 13.821 3.925 1.00 0.00 N ATOM 407 CA THR A 31 0.724 13.633 4.193 1.00 0.00 C ATOM 408 C THR A 31 1.551 14.685 3.453 1.00 0.00 C ATOM 409 O THR A 31 1.102 15.242 2.452 1.00 0.00 O ATOM 410 CB THR A 31 1.090 12.196 3.815 1.00 0.00 C ATOM 411 OG1 THR A 31 0.207 11.884 2.741 1.00 0.00 O ATOM 412 CG2 THR A 31 0.719 11.191 4.907 1.00 0.00 C ATOM 0 H THR A 31 -1.081 13.191 3.223 1.00 0.00 H new ATOM 0 HA THR A 31 0.948 13.774 5.250 1.00 0.00 H new ATOM 0 HB THR A 31 2.160 12.135 3.614 1.00 0.00 H new ATOM 0 HG1 THR A 31 0.340 12.524 2.011 1.00 0.00 H new ATOM 0 HG21 THR A 31 1.000 10.187 4.588 1.00 0.00 H new ATOM 0 HG22 THR A 31 1.248 11.441 5.827 1.00 0.00 H new ATOM 0 HG23 THR A 31 -0.356 11.228 5.085 1.00 0.00 H new ATOM 420 N HIS A 32 2.745 14.926 3.974 1.00 0.00 N ATOM 421 CA HIS A 32 3.640 15.902 3.375 1.00 0.00 C ATOM 422 C HIS A 32 3.788 15.614 1.880 1.00 0.00 C ATOM 423 O HIS A 32 4.179 16.490 1.110 1.00 0.00 O ATOM 424 CB HIS A 32 4.982 15.931 4.109 1.00 0.00 C ATOM 425 CG HIS A 32 4.959 16.711 5.402 1.00 0.00 C ATOM 426 ND1 HIS A 32 6.042 17.442 5.856 1.00 0.00 N ATOM 427 CD2 HIS A 32 3.972 16.867 6.331 1.00 0.00 C ATOM 428 CE1 HIS A 32 5.712 18.008 7.008 1.00 0.00 C ATOM 429 NE2 HIS A 32 4.429 17.649 7.300 1.00 0.00 N ATOM 0 H HIS A 32 3.114 14.462 4.804 1.00 0.00 H new ATOM 0 HA HIS A 32 3.215 16.900 3.476 1.00 0.00 H new ATOM 0 HB2 HIS A 32 5.291 14.907 4.320 1.00 0.00 H new ATOM 0 HB3 HIS A 32 5.736 16.362 3.450 1.00 0.00 H new ATOM 0 HD2 HIS A 32 2.986 16.428 6.285 1.00 0.00 H new ATOM 0 HE1 HIS A 32 6.347 18.642 7.609 1.00 0.00 H new ATOM 0 HE2 HIS A 32 3.906 17.935 8.128 1.00 0.00 H new ATOM 437 N LEU A 33 3.467 14.381 1.513 1.00 0.00 N ATOM 438 CA LEU A 33 3.559 13.966 0.124 1.00 0.00 C ATOM 439 C LEU A 33 3.123 15.121 -0.779 1.00 0.00 C ATOM 440 O LEU A 33 3.901 15.597 -1.605 1.00 0.00 O ATOM 441 CB LEU A 33 2.769 12.676 -0.103 1.00 0.00 C ATOM 442 CG LEU A 33 3.402 11.660 -1.056 1.00 0.00 C ATOM 443 CD1 LEU A 33 3.403 12.183 -2.494 1.00 0.00 C ATOM 444 CD2 LEU A 33 4.806 11.270 -0.588 1.00 0.00 C ATOM 0 H LEU A 33 3.143 13.657 2.154 1.00 0.00 H new ATOM 0 HA LEU A 33 4.591 13.730 -0.136 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.616 12.193 0.862 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.784 12.940 -0.487 1.00 0.00 H new ATOM 0 HG LEU A 33 2.794 10.755 -1.043 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.858 11.442 -3.151 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.378 12.370 -2.814 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.973 13.110 -2.543 1.00 0.00 H new ATOM 0 HD21 LEU A 33 5.233 10.547 -1.283 1.00 0.00 H new ATOM 0 HD22 LEU A 33 5.438 12.158 -0.554 1.00 0.00 H new ATOM 0 HD23 LEU A 33 4.748 10.827 0.406 1.00 0.00 H new ATOM 456 N GLY A 34 1.879 15.539 -0.593 1.00 0.00 N ATOM 457 CA GLY A 34 1.330 16.630 -1.380 1.00 0.00 C ATOM 458 C GLY A 34 0.796 16.123 -2.721 1.00 0.00 C ATOM 459 O GLY A 34 0.375 16.913 -3.565 1.00 0.00 O ATOM 0 H GLY A 34 1.236 15.141 0.092 1.00 0.00 H new ATOM 0 HA2 GLY A 34 0.527 17.116 -0.825 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.100 17.383 -1.552 1.00 0.00 H new ATOM 463 N ALA A 35 0.829 14.807 -2.876 1.00 0.00 N ATOM 464 CA ALA A 35 0.353 14.185 -4.100 1.00 0.00 C ATOM 465 C ALA A 35 -1.070 13.669 -3.884 1.00 0.00 C ATOM 466 O ALA A 35 -1.422 13.250 -2.782 1.00 0.00 O ATOM 467 CB ALA A 35 1.320 13.075 -4.517 1.00 0.00 C ATOM 0 H ALA A 35 1.178 14.155 -2.174 1.00 0.00 H new ATOM 0 HA ALA A 35 0.320 14.911 -4.913 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.964 12.608 -5.435 1.00 0.00 H new ATOM 0 HB2 ALA A 35 2.310 13.499 -4.686 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.377 12.326 -3.727 1.00 0.00 H new ATOM 473 N PRO A 36 -1.872 13.716 -4.982 1.00 0.00 N ATOM 474 CA PRO A 36 -3.249 13.258 -4.924 1.00 0.00 C ATOM 475 C PRO A 36 -3.318 11.729 -4.897 1.00 0.00 C ATOM 476 O PRO A 36 -2.497 11.056 -5.518 1.00 0.00 O ATOM 477 CB PRO A 36 -3.917 13.861 -6.149 1.00 0.00 C ATOM 478 CG PRO A 36 -2.788 14.247 -7.091 1.00 0.00 C ATOM 479 CD PRO A 36 -1.489 14.205 -6.303 1.00 0.00 C ATOM 0 HA PRO A 36 -3.759 13.573 -4.014 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -4.590 13.144 -6.619 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -4.515 14.731 -5.879 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -2.744 13.560 -7.936 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -2.955 15.244 -7.499 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -0.761 13.544 -6.774 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -1.031 15.192 -6.242 1.00 0.00 H new ATOM 487 N GLY A 37 -4.305 11.226 -4.170 1.00 0.00 N ATOM 488 CA GLY A 37 -4.491 9.790 -4.054 1.00 0.00 C ATOM 489 C GLY A 37 -4.121 9.301 -2.652 1.00 0.00 C ATOM 490 O GLY A 37 -3.784 10.100 -1.780 1.00 0.00 O ATOM 0 H GLY A 37 -4.984 11.787 -3.656 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -5.529 9.535 -4.270 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.877 9.279 -4.795 1.00 0.00 H new ATOM 494 N LEU A 38 -4.196 7.989 -2.479 1.00 0.00 N ATOM 495 CA LEU A 38 -3.873 7.384 -1.198 1.00 0.00 C ATOM 496 C LEU A 38 -2.515 6.686 -1.297 1.00 0.00 C ATOM 497 O LEU A 38 -2.111 6.255 -2.376 1.00 0.00 O ATOM 498 CB LEU A 38 -5.005 6.462 -0.740 1.00 0.00 C ATOM 499 CG LEU A 38 -6.349 7.139 -0.461 1.00 0.00 C ATOM 500 CD1 LEU A 38 -7.513 6.240 -0.882 1.00 0.00 C ATOM 501 CD2 LEU A 38 -6.454 7.564 1.005 1.00 0.00 C ATOM 0 H LEU A 38 -4.476 7.329 -3.204 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.784 8.149 -0.427 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.157 5.699 -1.503 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.684 5.948 0.166 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.408 8.045 -1.064 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -8.456 6.744 -0.673 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -7.443 6.029 -1.949 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -7.470 5.305 -0.324 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -7.418 8.042 1.177 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -6.365 6.687 1.645 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.654 8.266 1.238 1.00 0.00 H new ATOM 513 N TYR A 39 -1.847 6.598 -0.156 1.00 0.00 N ATOM 514 CA TYR A 39 -0.542 5.960 -0.100 1.00 0.00 C ATOM 515 C TYR A 39 -0.358 5.203 1.217 1.00 0.00 C ATOM 516 O TYR A 39 -1.000 5.523 2.216 1.00 0.00 O ATOM 517 CB TYR A 39 0.484 7.093 -0.172 1.00 0.00 C ATOM 518 CG TYR A 39 0.318 8.006 -1.388 1.00 0.00 C ATOM 519 CD1 TYR A 39 -0.793 8.818 -1.495 1.00 0.00 C ATOM 520 CD2 TYR A 39 1.280 8.019 -2.377 1.00 0.00 C ATOM 521 CE1 TYR A 39 -0.949 9.678 -2.640 1.00 0.00 C ATOM 522 CE2 TYR A 39 1.124 8.879 -3.522 1.00 0.00 C ATOM 523 CZ TYR A 39 0.018 9.666 -3.596 1.00 0.00 C ATOM 524 OH TYR A 39 -0.130 10.478 -4.677 1.00 0.00 O ATOM 0 H TYR A 39 -2.185 6.958 0.737 1.00 0.00 H new ATOM 0 HA TYR A 39 -0.430 5.242 -0.913 1.00 0.00 H new ATOM 0 HB2 TYR A 39 0.410 7.695 0.734 1.00 0.00 H new ATOM 0 HB3 TYR A 39 1.485 6.662 -0.188 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -1.545 8.809 -0.720 1.00 0.00 H new ATOM 0 HD2 TYR A 39 2.150 7.384 -2.293 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -1.814 10.317 -2.737 1.00 0.00 H new ATOM 0 HE2 TYR A 39 1.869 8.898 -4.304 1.00 0.00 H new ATOM 0 HH TYR A 39 -0.997 10.305 -5.100 1.00 0.00 H new ATOM 534 N ILE A 40 0.523 4.214 1.175 1.00 0.00 N ATOM 535 CA ILE A 40 0.800 3.409 2.353 1.00 0.00 C ATOM 536 C ILE A 40 1.565 4.254 3.374 1.00 0.00 C ATOM 537 O ILE A 40 2.714 4.626 3.140 1.00 0.00 O ATOM 538 CB ILE A 40 1.519 2.117 1.961 1.00 0.00 C ATOM 539 CG1 ILE A 40 0.684 1.304 0.969 1.00 0.00 C ATOM 540 CG2 ILE A 40 1.892 1.300 3.200 1.00 0.00 C ATOM 541 CD1 ILE A 40 1.284 -0.088 0.760 1.00 0.00 C ATOM 0 H ILE A 40 1.054 3.952 0.344 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.129 3.097 2.829 1.00 0.00 H new ATOM 0 HB ILE A 40 2.449 2.383 1.458 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.338 1.212 1.338 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.633 1.829 0.015 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.402 0.387 2.894 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.552 1.888 3.838 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.988 1.043 3.752 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.672 -0.645 0.051 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.297 0.007 0.369 1.00 0.00 H new ATOM 0 HD13 ILE A 40 1.311 -0.619 1.711 1.00 0.00 H new ATOM 553 N GLN A 41 0.898 4.531 4.484 1.00 0.00 N ATOM 554 CA GLN A 41 1.501 5.324 5.542 1.00 0.00 C ATOM 555 C GLN A 41 2.231 4.418 6.535 1.00 0.00 C ATOM 556 O GLN A 41 3.296 4.773 7.038 1.00 0.00 O ATOM 557 CB GLN A 41 0.451 6.181 6.251 1.00 0.00 C ATOM 558 CG GLN A 41 1.095 7.398 6.918 1.00 0.00 C ATOM 559 CD GLN A 41 0.375 7.756 8.219 1.00 0.00 C ATOM 560 OE1 GLN A 41 -0.067 6.902 8.970 1.00 0.00 O ATOM 561 NE2 GLN A 41 0.281 9.064 8.444 1.00 0.00 N ATOM 0 H GLN A 41 -0.055 4.220 4.674 1.00 0.00 H new ATOM 0 HA GLN A 41 2.230 5.999 5.093 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -0.300 6.510 5.533 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -0.066 5.582 7.001 1.00 0.00 H new ATOM 0 HG2 GLN A 41 2.145 7.191 7.125 1.00 0.00 H new ATOM 0 HG3 GLN A 41 1.066 8.248 6.237 1.00 0.00 H new ATOM 0 HE21 GLN A 41 0.673 9.726 7.774 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -0.183 9.405 9.286 1.00 0.00 H new ATOM 570 N THR A 42 1.630 3.265 6.787 1.00 0.00 N ATOM 571 CA THR A 42 2.210 2.305 7.711 1.00 0.00 C ATOM 572 C THR A 42 1.867 0.877 7.281 1.00 0.00 C ATOM 573 O THR A 42 1.053 0.674 6.381 1.00 0.00 O ATOM 574 CB THR A 42 1.722 2.649 9.119 1.00 0.00 C ATOM 575 OG1 THR A 42 0.402 3.148 8.917 1.00 0.00 O ATOM 576 CG2 THR A 42 2.478 3.832 9.728 1.00 0.00 C ATOM 0 H THR A 42 0.747 2.974 6.368 1.00 0.00 H new ATOM 0 HA THR A 42 3.299 2.360 7.707 1.00 0.00 H new ATOM 0 HB THR A 42 1.832 1.777 9.764 1.00 0.00 H new ATOM 0 HG1 THR A 42 0.009 3.394 9.781 1.00 0.00 H new ATOM 0 HG21 THR A 42 2.093 4.034 10.727 1.00 0.00 H new ATOM 0 HG22 THR A 42 3.540 3.592 9.790 1.00 0.00 H new ATOM 0 HG23 THR A 42 2.341 4.713 9.101 1.00 0.00 H new ATOM 584 N LEU A 43 2.506 -0.076 7.944 1.00 0.00 N ATOM 585 CA LEU A 43 2.278 -1.479 7.642 1.00 0.00 C ATOM 586 C LEU A 43 2.330 -2.290 8.938 1.00 0.00 C ATOM 587 O LEU A 43 3.409 -2.570 9.458 1.00 0.00 O ATOM 588 CB LEU A 43 3.262 -1.963 6.575 1.00 0.00 C ATOM 589 CG LEU A 43 2.956 -1.536 5.138 1.00 0.00 C ATOM 590 CD1 LEU A 43 4.194 -1.673 4.249 1.00 0.00 C ATOM 591 CD2 LEU A 43 1.760 -2.310 4.578 1.00 0.00 C ATOM 0 H LEU A 43 3.181 0.096 8.689 1.00 0.00 H new ATOM 0 HA LEU A 43 1.285 -1.621 7.216 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.257 -1.602 6.836 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.298 -3.052 6.610 1.00 0.00 H new ATOM 0 HG LEU A 43 2.681 -0.481 5.147 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.949 -1.363 3.233 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.993 -1.042 4.638 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.523 -2.712 4.242 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.564 -1.987 3.556 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.982 -3.377 4.585 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.881 -2.118 5.194 1.00 0.00 H new ATOM 603 N LEU A 44 1.149 -2.645 9.424 1.00 0.00 N ATOM 604 CA LEU A 44 1.045 -3.418 10.650 1.00 0.00 C ATOM 605 C LEU A 44 1.908 -4.676 10.529 1.00 0.00 C ATOM 606 O LEU A 44 2.100 -5.198 9.432 1.00 0.00 O ATOM 607 CB LEU A 44 -0.420 -3.707 10.979 1.00 0.00 C ATOM 608 CG LEU A 44 -0.951 -3.092 12.275 1.00 0.00 C ATOM 609 CD1 LEU A 44 -1.933 -1.956 11.982 1.00 0.00 C ATOM 610 CD2 LEU A 44 -1.567 -4.163 13.178 1.00 0.00 C ATOM 0 H LEU A 44 0.256 -2.411 8.990 1.00 0.00 H new ATOM 0 HA LEU A 44 1.430 -2.846 11.494 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.034 -3.350 10.153 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.553 -4.788 11.032 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.110 -2.659 12.816 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.295 -1.537 12.921 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -1.429 -1.179 11.408 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.776 -2.342 11.408 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.937 -3.699 14.092 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.393 -4.647 12.657 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.811 -4.907 13.429 1.00 0.00 H new ATOM 622 N PRO A 45 2.419 -5.137 11.701 1.00 0.00 N ATOM 623 CA PRO A 45 3.257 -6.324 11.737 1.00 0.00 C ATOM 624 C PRO A 45 2.420 -7.592 11.563 1.00 0.00 C ATOM 625 O PRO A 45 2.780 -8.477 10.789 1.00 0.00 O ATOM 626 CB PRO A 45 3.970 -6.262 13.078 1.00 0.00 C ATOM 627 CG PRO A 45 3.163 -5.300 13.935 1.00 0.00 C ATOM 628 CD PRO A 45 2.214 -4.544 13.019 1.00 0.00 C ATOM 0 HA PRO A 45 3.977 -6.355 10.919 1.00 0.00 H new ATOM 0 HB2 PRO A 45 4.020 -7.248 13.540 1.00 0.00 H new ATOM 0 HB3 PRO A 45 4.996 -5.913 12.959 1.00 0.00 H new ATOM 0 HG2 PRO A 45 2.605 -5.844 14.698 1.00 0.00 H new ATOM 0 HG3 PRO A 45 3.823 -4.607 14.456 1.00 0.00 H new ATOM 0 HD2 PRO A 45 1.179 -4.652 13.345 1.00 0.00 H new ATOM 0 HD3 PRO A 45 2.437 -3.477 13.012 1.00 0.00 H new ATOM 636 N GLY A 46 1.317 -7.640 12.296 1.00 0.00 N ATOM 637 CA GLY A 46 0.425 -8.785 12.233 1.00 0.00 C ATOM 638 C GLY A 46 -0.602 -8.618 11.111 1.00 0.00 C ATOM 639 O GLY A 46 -1.776 -8.940 11.287 1.00 0.00 O ATOM 0 H GLY A 46 1.021 -6.904 12.937 1.00 0.00 H new ATOM 0 HA2 GLY A 46 1.004 -9.693 12.068 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -0.089 -8.903 13.187 1.00 0.00 H new ATOM 643 N SER A 47 -0.123 -8.116 9.983 1.00 0.00 N ATOM 644 CA SER A 47 -0.985 -7.903 8.833 1.00 0.00 C ATOM 645 C SER A 47 -0.379 -8.566 7.594 1.00 0.00 C ATOM 646 O SER A 47 0.800 -8.917 7.588 1.00 0.00 O ATOM 647 CB SER A 47 -1.208 -6.410 8.581 1.00 0.00 C ATOM 648 OG SER A 47 -0.178 -5.846 7.774 1.00 0.00 O ATOM 0 H SER A 47 0.851 -7.850 9.841 1.00 0.00 H new ATOM 0 HA SER A 47 -1.953 -8.357 9.043 1.00 0.00 H new ATOM 0 HB2 SER A 47 -2.172 -6.265 8.093 1.00 0.00 H new ATOM 0 HB3 SER A 47 -1.251 -5.884 9.535 1.00 0.00 H new ATOM 0 HG SER A 47 0.600 -5.640 8.333 1.00 0.00 H new ATOM 654 N PRO A 48 -1.235 -8.721 6.549 1.00 0.00 N ATOM 655 CA PRO A 48 -0.796 -9.335 5.307 1.00 0.00 C ATOM 656 C PRO A 48 0.075 -8.373 4.497 1.00 0.00 C ATOM 657 O PRO A 48 1.120 -8.763 3.978 1.00 0.00 O ATOM 658 CB PRO A 48 -2.076 -9.727 4.588 1.00 0.00 C ATOM 659 CG PRO A 48 -3.182 -8.905 5.229 1.00 0.00 C ATOM 660 CD PRO A 48 -2.637 -8.317 6.520 1.00 0.00 C ATOM 0 HA PRO A 48 -0.163 -10.208 5.470 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -2.004 -9.519 3.520 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -2.272 -10.794 4.693 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -3.507 -8.112 4.556 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -4.053 -9.529 5.431 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -2.737 -7.232 6.534 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -3.177 -8.698 7.387 1.00 0.00 H new ATOM 668 N ALA A 49 -0.387 -7.134 4.414 1.00 0.00 N ATOM 669 CA ALA A 49 0.336 -6.113 3.676 1.00 0.00 C ATOM 670 C ALA A 49 1.837 -6.275 3.927 1.00 0.00 C ATOM 671 O ALA A 49 2.622 -6.359 2.985 1.00 0.00 O ATOM 672 CB ALA A 49 -0.177 -4.730 4.080 1.00 0.00 C ATOM 0 H ALA A 49 -1.254 -6.814 4.846 1.00 0.00 H new ATOM 0 HA ALA A 49 0.167 -6.222 2.605 1.00 0.00 H new ATOM 0 HB1 ALA A 49 0.366 -3.964 3.526 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -1.241 -4.656 3.854 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -0.022 -4.583 5.149 1.00 0.00 H new ATOM 678 N ALA A 50 2.189 -6.314 5.204 1.00 0.00 N ATOM 679 CA ALA A 50 3.582 -6.464 5.592 1.00 0.00 C ATOM 680 C ALA A 50 4.082 -7.842 5.156 1.00 0.00 C ATOM 681 O ALA A 50 5.088 -7.949 4.456 1.00 0.00 O ATOM 682 CB ALA A 50 3.719 -6.243 7.099 1.00 0.00 C ATOM 0 H ALA A 50 1.534 -6.244 5.983 1.00 0.00 H new ATOM 0 HA ALA A 50 4.202 -5.717 5.096 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.763 -6.356 7.390 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.378 -5.239 7.352 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.113 -6.977 7.631 1.00 0.00 H new ATOM 688 N ALA A 51 3.357 -8.864 5.589 1.00 0.00 N ATOM 689 CA ALA A 51 3.715 -10.231 5.252 1.00 0.00 C ATOM 690 C ALA A 51 4.055 -10.313 3.763 1.00 0.00 C ATOM 691 O ALA A 51 5.033 -10.953 3.380 1.00 0.00 O ATOM 692 CB ALA A 51 2.570 -11.169 5.641 1.00 0.00 C ATOM 0 H ALA A 51 2.524 -8.772 6.170 1.00 0.00 H new ATOM 0 HA ALA A 51 4.598 -10.545 5.809 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.838 -12.195 5.388 1.00 0.00 H new ATOM 0 HB2 ALA A 51 2.387 -11.095 6.713 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.668 -10.886 5.099 1.00 0.00 H new ATOM 698 N ASP A 52 3.229 -9.656 2.963 1.00 0.00 N ATOM 699 CA ASP A 52 3.430 -9.646 1.524 1.00 0.00 C ATOM 700 C ASP A 52 4.901 -9.353 1.221 1.00 0.00 C ATOM 701 O ASP A 52 5.585 -10.168 0.603 1.00 0.00 O ATOM 702 CB ASP A 52 2.585 -8.559 0.857 1.00 0.00 C ATOM 703 CG ASP A 52 2.367 -8.741 -0.647 1.00 0.00 C ATOM 704 OD1 ASP A 52 1.844 -9.814 -1.019 1.00 0.00 O ATOM 705 OD2 ASP A 52 2.728 -7.803 -1.390 1.00 0.00 O ATOM 0 H ASP A 52 2.419 -9.126 3.284 1.00 0.00 H new ATOM 0 HA ASP A 52 3.135 -10.621 1.136 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.613 -8.523 1.348 1.00 0.00 H new ATOM 0 HB3 ASP A 52 3.063 -7.594 1.025 1.00 0.00 H new ATOM 710 N GLY A 53 5.344 -8.188 1.669 1.00 0.00 N ATOM 711 CA GLY A 53 6.721 -7.778 1.454 1.00 0.00 C ATOM 712 C GLY A 53 6.792 -6.551 0.543 1.00 0.00 C ATOM 713 O GLY A 53 7.231 -5.483 0.966 1.00 0.00 O ATOM 0 H GLY A 53 4.773 -7.515 2.180 1.00 0.00 H new ATOM 0 HA2 GLY A 53 7.191 -7.552 2.411 1.00 0.00 H new ATOM 0 HA3 GLY A 53 7.283 -8.599 1.009 1.00 0.00 H new ATOM 717 N ARG A 54 6.352 -6.745 -0.692 1.00 0.00 N ATOM 718 CA ARG A 54 6.360 -5.668 -1.667 1.00 0.00 C ATOM 719 C ARG A 54 5.817 -4.382 -1.041 1.00 0.00 C ATOM 720 O ARG A 54 6.519 -3.373 -0.978 1.00 0.00 O ATOM 721 CB ARG A 54 5.516 -6.027 -2.892 1.00 0.00 C ATOM 722 CG ARG A 54 6.166 -5.509 -4.176 1.00 0.00 C ATOM 723 CD ARG A 54 6.318 -3.987 -4.139 1.00 0.00 C ATOM 724 NE ARG A 54 6.821 -3.496 -5.441 1.00 0.00 N ATOM 725 CZ ARG A 54 8.119 -3.431 -5.769 1.00 0.00 C ATOM 726 NH1 ARG A 54 9.052 -3.825 -4.892 1.00 0.00 N ATOM 727 NH2 ARG A 54 8.483 -2.972 -6.974 1.00 0.00 N ATOM 0 H ARG A 54 5.988 -7.632 -1.039 1.00 0.00 H new ATOM 0 HA ARG A 54 7.392 -5.515 -1.984 1.00 0.00 H new ATOM 0 HB2 ARG A 54 5.397 -7.109 -2.951 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.518 -5.601 -2.788 1.00 0.00 H new ATOM 0 HG2 ARG A 54 7.144 -5.973 -4.305 1.00 0.00 H new ATOM 0 HG3 ARG A 54 5.561 -5.797 -5.036 1.00 0.00 H new ATOM 0 HD2 ARG A 54 5.358 -3.523 -3.912 1.00 0.00 H new ATOM 0 HD3 ARG A 54 7.006 -3.701 -3.343 1.00 0.00 H new ATOM 0 HE ARG A 54 6.137 -3.188 -6.132 1.00 0.00 H new ATOM 0 HH11 ARG A 54 8.775 -4.174 -3.975 1.00 0.00 H new ATOM 0 HH12 ARG A 54 10.040 -3.776 -5.142 1.00 0.00 H new ATOM 0 HH21 ARG A 54 7.772 -2.672 -7.641 1.00 0.00 H new ATOM 0 HH22 ARG A 54 9.471 -2.922 -7.224 1.00 0.00 H new ATOM 741 N LEU A 55 4.572 -4.459 -0.595 1.00 0.00 N ATOM 742 CA LEU A 55 3.926 -3.313 0.024 1.00 0.00 C ATOM 743 C LEU A 55 4.930 -2.595 0.928 1.00 0.00 C ATOM 744 O LEU A 55 5.378 -3.152 1.929 1.00 0.00 O ATOM 745 CB LEU A 55 2.647 -3.743 0.744 1.00 0.00 C ATOM 746 CG LEU A 55 1.335 -3.450 0.014 1.00 0.00 C ATOM 747 CD1 LEU A 55 1.430 -3.843 -1.462 1.00 0.00 C ATOM 748 CD2 LEU A 55 0.155 -4.129 0.713 1.00 0.00 C ATOM 0 H LEU A 55 3.993 -5.297 -0.650 1.00 0.00 H new ATOM 0 HA LEU A 55 3.611 -2.597 -0.735 1.00 0.00 H new ATOM 0 HB2 LEU A 55 2.703 -4.815 0.933 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.617 -3.249 1.715 1.00 0.00 H new ATOM 0 HG LEU A 55 1.156 -2.375 0.051 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.484 -3.625 -1.958 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.230 -3.276 -1.939 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.644 -4.909 -1.542 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.765 -3.905 0.174 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.313 -5.207 0.728 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.076 -3.759 1.735 1.00 0.00 H new ATOM 760 N SER A 56 5.253 -1.369 0.544 1.00 0.00 N ATOM 761 CA SER A 56 6.195 -0.569 1.308 1.00 0.00 C ATOM 762 C SER A 56 5.553 0.763 1.700 1.00 0.00 C ATOM 763 O SER A 56 4.523 1.147 1.146 1.00 0.00 O ATOM 764 CB SER A 56 7.481 -0.325 0.515 1.00 0.00 C ATOM 765 OG SER A 56 8.162 -1.541 0.215 1.00 0.00 O ATOM 0 H SER A 56 4.879 -0.910 -0.287 1.00 0.00 H new ATOM 0 HA SER A 56 6.456 -1.119 2.212 1.00 0.00 H new ATOM 0 HB2 SER A 56 7.242 0.195 -0.413 1.00 0.00 H new ATOM 0 HB3 SER A 56 8.141 0.329 1.086 1.00 0.00 H new ATOM 0 HG SER A 56 7.563 -2.138 -0.279 1.00 0.00 H new ATOM 771 N LEU A 57 6.187 1.432 2.651 1.00 0.00 N ATOM 772 CA LEU A 57 5.691 2.713 3.123 1.00 0.00 C ATOM 773 C LEU A 57 5.874 3.763 2.025 1.00 0.00 C ATOM 774 O LEU A 57 6.893 3.774 1.336 1.00 0.00 O ATOM 775 CB LEU A 57 6.354 3.089 4.450 1.00 0.00 C ATOM 776 CG LEU A 57 6.101 2.137 5.620 1.00 0.00 C ATOM 777 CD1 LEU A 57 6.287 2.852 6.960 1.00 0.00 C ATOM 778 CD2 LEU A 57 4.722 1.483 5.506 1.00 0.00 C ATOM 0 H LEU A 57 7.041 1.111 3.108 1.00 0.00 H new ATOM 0 HA LEU A 57 4.623 2.653 3.332 1.00 0.00 H new ATOM 0 HB2 LEU A 57 7.430 3.157 4.289 1.00 0.00 H new ATOM 0 HB3 LEU A 57 6.011 4.083 4.736 1.00 0.00 H new ATOM 0 HG LEU A 57 6.841 1.338 5.576 1.00 0.00 H new ATOM 0 HD11 LEU A 57 6.101 2.152 7.775 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.307 3.230 7.032 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.586 3.684 7.029 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.567 0.811 6.350 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.952 2.254 5.510 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.663 0.917 4.576 1.00 0.00 H new ATOM 790 N GLY A 58 4.871 4.619 1.896 1.00 0.00 N ATOM 791 CA GLY A 58 4.909 5.670 0.893 1.00 0.00 C ATOM 792 C GLY A 58 4.215 5.223 -0.395 1.00 0.00 C ATOM 793 O GLY A 58 3.756 6.054 -1.178 1.00 0.00 O ATOM 0 H GLY A 58 4.027 4.606 2.469 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.423 6.565 1.281 1.00 0.00 H new ATOM 0 HA3 GLY A 58 5.944 5.936 0.679 1.00 0.00 H new ATOM 797 N ASP A 59 4.162 3.912 -0.577 1.00 0.00 N ATOM 798 CA ASP A 59 3.532 3.345 -1.757 1.00 0.00 C ATOM 799 C ASP A 59 2.254 4.125 -2.073 1.00 0.00 C ATOM 800 O ASP A 59 1.652 4.724 -1.183 1.00 0.00 O ATOM 801 CB ASP A 59 3.148 1.882 -1.527 1.00 0.00 C ATOM 802 CG ASP A 59 4.285 0.877 -1.723 1.00 0.00 C ATOM 803 OD1 ASP A 59 5.412 1.342 -1.998 1.00 0.00 O ATOM 804 OD2 ASP A 59 4.001 -0.333 -1.592 1.00 0.00 O ATOM 0 H ASP A 59 4.545 3.226 0.073 1.00 0.00 H new ATOM 0 HA ASP A 59 4.243 3.406 -2.581 1.00 0.00 H new ATOM 0 HB2 ASP A 59 2.762 1.778 -0.513 1.00 0.00 H new ATOM 0 HB3 ASP A 59 2.335 1.624 -2.205 1.00 0.00 H new ATOM 809 N ARG A 60 1.878 4.092 -3.343 1.00 0.00 N ATOM 810 CA ARG A 60 0.682 4.789 -3.787 1.00 0.00 C ATOM 811 C ARG A 60 -0.288 3.808 -4.448 1.00 0.00 C ATOM 812 O ARG A 60 0.052 3.168 -5.442 1.00 0.00 O ATOM 813 CB ARG A 60 1.029 5.900 -4.779 1.00 0.00 C ATOM 814 CG ARG A 60 -0.229 6.646 -5.229 1.00 0.00 C ATOM 815 CD ARG A 60 -0.012 7.318 -6.586 1.00 0.00 C ATOM 816 NE ARG A 60 -1.075 8.318 -6.832 1.00 0.00 N ATOM 817 CZ ARG A 60 -1.321 8.876 -8.025 1.00 0.00 C ATOM 818 NH1 ARG A 60 -0.581 8.536 -9.089 1.00 0.00 N ATOM 819 NH2 ARG A 60 -2.306 9.775 -8.154 1.00 0.00 N ATOM 0 H ARG A 60 2.380 3.594 -4.078 1.00 0.00 H new ATOM 0 HA ARG A 60 0.212 5.235 -2.910 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.726 6.600 -4.318 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.533 5.474 -5.646 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -1.065 5.950 -5.293 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.496 7.397 -4.486 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.965 7.801 -6.610 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -0.017 6.568 -7.377 1.00 0.00 H new ATOM 0 HE ARG A 60 -1.657 8.600 -6.043 1.00 0.00 H new ATOM 0 HH11 ARG A 60 0.170 7.852 -8.991 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -0.768 8.961 -9.997 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -2.869 10.035 -7.344 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -2.493 10.200 -9.062 1.00 0.00 H new ATOM 833 N ILE A 61 -1.478 3.722 -3.871 1.00 0.00 N ATOM 834 CA ILE A 61 -2.500 2.831 -4.392 1.00 0.00 C ATOM 835 C ILE A 61 -3.159 3.476 -5.613 1.00 0.00 C ATOM 836 O ILE A 61 -3.229 4.700 -5.710 1.00 0.00 O ATOM 837 CB ILE A 61 -3.489 2.447 -3.290 1.00 0.00 C ATOM 838 CG1 ILE A 61 -2.756 2.082 -1.997 1.00 0.00 C ATOM 839 CG2 ILE A 61 -4.422 1.328 -3.755 1.00 0.00 C ATOM 840 CD1 ILE A 61 -1.974 0.777 -2.160 1.00 0.00 C ATOM 0 H ILE A 61 -1.757 4.255 -3.047 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.054 1.895 -4.728 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.111 3.315 -3.073 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.074 2.887 -1.722 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.474 1.980 -1.184 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.115 1.075 -2.952 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -4.984 1.662 -4.627 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -3.833 0.449 -4.017 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.462 0.540 -1.227 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.662 -0.030 -2.412 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.240 0.890 -2.958 1.00 0.00 H new ATOM 852 N LEU A 62 -3.626 2.623 -6.513 1.00 0.00 N ATOM 853 CA LEU A 62 -4.277 3.095 -7.723 1.00 0.00 C ATOM 854 C LEU A 62 -5.678 2.487 -7.813 1.00 0.00 C ATOM 855 O LEU A 62 -6.641 3.182 -8.135 1.00 0.00 O ATOM 856 CB LEU A 62 -3.404 2.811 -8.947 1.00 0.00 C ATOM 857 CG LEU A 62 -1.976 3.358 -8.893 1.00 0.00 C ATOM 858 CD1 LEU A 62 -1.184 2.948 -10.137 1.00 0.00 C ATOM 859 CD2 LEU A 62 -1.977 4.875 -8.689 1.00 0.00 C ATOM 0 H LEU A 62 -3.566 1.608 -6.428 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.400 4.178 -7.692 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.353 1.732 -9.090 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.898 3.226 -9.825 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.474 2.917 -8.032 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.173 3.350 -10.073 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.139 1.861 -10.198 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.675 3.341 -11.027 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.950 5.238 -8.654 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.503 5.353 -9.515 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.479 5.116 -7.752 1.00 0.00 H new ATOM 871 N GLU A 63 -5.748 1.196 -7.524 1.00 0.00 N ATOM 872 CA GLU A 63 -7.015 0.487 -7.568 1.00 0.00 C ATOM 873 C GLU A 63 -7.199 -0.351 -6.301 1.00 0.00 C ATOM 874 O GLU A 63 -6.233 -0.639 -5.597 1.00 0.00 O ATOM 875 CB GLU A 63 -7.112 -0.386 -8.821 1.00 0.00 C ATOM 876 CG GLU A 63 -7.274 0.473 -10.077 1.00 0.00 C ATOM 877 CD GLU A 63 -6.820 -0.287 -11.324 1.00 0.00 C ATOM 878 OE1 GLU A 63 -6.786 -1.534 -11.248 1.00 0.00 O ATOM 879 OE2 GLU A 63 -6.516 0.396 -12.326 1.00 0.00 O ATOM 0 H GLU A 63 -4.947 0.623 -7.258 1.00 0.00 H new ATOM 0 HA GLU A 63 -7.818 1.222 -7.614 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -6.217 -1.001 -8.910 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -7.959 -1.066 -8.730 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.317 0.769 -10.187 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -6.692 1.389 -9.973 1.00 0.00 H new ATOM 886 N VAL A 64 -8.447 -0.718 -6.049 1.00 0.00 N ATOM 887 CA VAL A 64 -8.771 -1.517 -4.879 1.00 0.00 C ATOM 888 C VAL A 64 -9.885 -2.503 -5.233 1.00 0.00 C ATOM 889 O VAL A 64 -11.045 -2.114 -5.363 1.00 0.00 O ATOM 890 CB VAL A 64 -9.130 -0.604 -3.705 1.00 0.00 C ATOM 891 CG1 VAL A 64 -10.131 -1.283 -2.769 1.00 0.00 C ATOM 892 CG2 VAL A 64 -7.876 -0.169 -2.945 1.00 0.00 C ATOM 0 H VAL A 64 -9.246 -0.477 -6.635 1.00 0.00 H new ATOM 0 HA VAL A 64 -7.907 -2.103 -4.565 1.00 0.00 H new ATOM 0 HB VAL A 64 -9.603 0.291 -4.109 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -10.369 -0.613 -1.943 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -11.042 -1.519 -3.319 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -9.696 -2.202 -2.376 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -8.160 0.479 -2.116 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -7.361 -1.049 -2.558 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -7.212 0.373 -3.618 1.00 0.00 H new ATOM 902 N ASN A 65 -9.495 -3.761 -5.378 1.00 0.00 N ATOM 903 CA ASN A 65 -10.447 -4.806 -5.714 1.00 0.00 C ATOM 904 C ASN A 65 -10.887 -4.641 -7.170 1.00 0.00 C ATOM 905 O ASN A 65 -11.968 -5.088 -7.550 1.00 0.00 O ATOM 906 CB ASN A 65 -11.693 -4.720 -4.831 1.00 0.00 C ATOM 907 CG ASN A 65 -11.905 -6.021 -4.053 1.00 0.00 C ATOM 908 OD1 ASN A 65 -11.740 -5.898 -2.739 1.00 0.00 O flip ATOM 909 ND2 ASN A 65 -12.199 -7.066 -4.609 1.00 0.00 N flip ATOM 0 H ASN A 65 -8.532 -4.080 -5.269 1.00 0.00 H new ATOM 0 HA ASN A 65 -9.960 -5.769 -5.558 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -11.593 -3.888 -4.134 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -12.567 -4.515 -5.449 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -12.310 -7.091 -5.623 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -12.333 -7.915 -4.060 1.00 0.00 H new ATOM 916 N GLY A 66 -10.026 -3.997 -7.945 1.00 0.00 N ATOM 917 CA GLY A 66 -10.313 -3.767 -9.351 1.00 0.00 C ATOM 918 C GLY A 66 -11.244 -2.566 -9.531 1.00 0.00 C ATOM 919 O GLY A 66 -11.952 -2.470 -10.533 1.00 0.00 O ATOM 0 H GLY A 66 -9.130 -3.628 -7.626 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -9.383 -3.595 -9.892 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -10.773 -4.656 -9.782 1.00 0.00 H new ATOM 923 N SER A 67 -11.214 -1.681 -8.546 1.00 0.00 N ATOM 924 CA SER A 67 -12.047 -0.491 -8.583 1.00 0.00 C ATOM 925 C SER A 67 -11.171 0.757 -8.713 1.00 0.00 C ATOM 926 O SER A 67 -10.346 1.033 -7.844 1.00 0.00 O ATOM 927 CB SER A 67 -12.927 -0.395 -7.335 1.00 0.00 C ATOM 928 OG SER A 67 -14.261 -0.005 -7.651 1.00 0.00 O ATOM 0 H SER A 67 -10.626 -1.764 -7.717 1.00 0.00 H new ATOM 0 HA SER A 67 -12.702 -0.559 -9.451 1.00 0.00 H new ATOM 0 HB2 SER A 67 -12.942 -1.359 -6.827 1.00 0.00 H new ATOM 0 HB3 SER A 67 -12.494 0.325 -6.640 1.00 0.00 H new ATOM 0 HG SER A 67 -14.791 0.043 -6.828 1.00 0.00 H new ATOM 934 N SER A 68 -11.381 1.477 -9.805 1.00 0.00 N ATOM 935 CA SER A 68 -10.621 2.689 -10.059 1.00 0.00 C ATOM 936 C SER A 68 -10.753 3.648 -8.875 1.00 0.00 C ATOM 937 O SER A 68 -11.852 4.102 -8.558 1.00 0.00 O ATOM 938 CB SER A 68 -11.086 3.370 -11.348 1.00 0.00 C ATOM 939 OG SER A 68 -12.449 3.779 -11.275 1.00 0.00 O ATOM 0 H SER A 68 -12.066 1.244 -10.524 1.00 0.00 H new ATOM 0 HA SER A 68 -9.573 2.416 -10.181 1.00 0.00 H new ATOM 0 HB2 SER A 68 -10.457 4.238 -11.546 1.00 0.00 H new ATOM 0 HB3 SER A 68 -10.958 2.685 -12.186 1.00 0.00 H new ATOM 0 HG SER A 68 -12.654 4.072 -10.363 1.00 0.00 H new ATOM 945 N LEU A 69 -9.618 3.929 -8.252 1.00 0.00 N ATOM 946 CA LEU A 69 -9.593 4.826 -7.109 1.00 0.00 C ATOM 947 C LEU A 69 -8.962 6.157 -7.525 1.00 0.00 C ATOM 948 O LEU A 69 -7.945 6.567 -6.967 1.00 0.00 O ATOM 949 CB LEU A 69 -8.898 4.160 -5.920 1.00 0.00 C ATOM 950 CG LEU A 69 -9.564 4.358 -4.557 1.00 0.00 C ATOM 951 CD1 LEU A 69 -8.720 3.741 -3.440 1.00 0.00 C ATOM 952 CD2 LEU A 69 -9.859 5.838 -4.301 1.00 0.00 C ATOM 0 H LEU A 69 -8.708 3.551 -8.517 1.00 0.00 H new ATOM 0 HA LEU A 69 -10.607 5.044 -6.773 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.830 3.090 -6.117 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.878 4.539 -5.862 1.00 0.00 H new ATOM 0 HG LEU A 69 -10.520 3.835 -4.565 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -9.216 3.896 -2.482 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.603 2.672 -3.620 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.739 4.215 -3.421 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.332 5.951 -3.326 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -8.927 6.403 -4.320 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -10.528 6.215 -5.075 1.00 0.00 H new ATOM 964 N LEU A 70 -9.592 6.795 -8.500 1.00 0.00 N ATOM 965 CA LEU A 70 -9.105 8.071 -8.997 1.00 0.00 C ATOM 966 C LEU A 70 -9.974 9.197 -8.435 1.00 0.00 C ATOM 967 O LEU A 70 -9.466 10.123 -7.804 1.00 0.00 O ATOM 968 CB LEU A 70 -9.027 8.057 -10.525 1.00 0.00 C ATOM 969 CG LEU A 70 -7.873 7.257 -11.131 1.00 0.00 C ATOM 970 CD1 LEU A 70 -8.052 7.094 -12.641 1.00 0.00 C ATOM 971 CD2 LEU A 70 -6.524 7.887 -10.778 1.00 0.00 C ATOM 0 H LEU A 70 -10.436 6.452 -8.959 1.00 0.00 H new ATOM 0 HA LEU A 70 -8.087 8.251 -8.652 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -9.964 7.656 -10.913 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -8.952 9.087 -10.874 1.00 0.00 H new ATOM 0 HG LEU A 70 -7.885 6.258 -10.696 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.218 6.522 -13.047 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -8.985 6.568 -12.842 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -8.081 8.077 -13.112 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -5.721 7.299 -11.221 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -6.485 8.905 -11.166 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.404 7.907 -9.695 1.00 0.00 H new ATOM 983 N GLY A 71 -11.270 9.082 -8.684 1.00 0.00 N ATOM 984 CA GLY A 71 -12.215 10.079 -8.211 1.00 0.00 C ATOM 985 C GLY A 71 -13.069 9.527 -7.068 1.00 0.00 C ATOM 986 O GLY A 71 -14.251 9.849 -6.960 1.00 0.00 O ATOM 0 H GLY A 71 -11.688 8.313 -9.208 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -11.676 10.964 -7.872 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -12.859 10.393 -9.032 1.00 0.00 H new ATOM 990 N LEU A 72 -12.436 8.705 -6.244 1.00 0.00 N ATOM 991 CA LEU A 72 -13.123 8.105 -5.112 1.00 0.00 C ATOM 992 C LEU A 72 -12.692 8.812 -3.826 1.00 0.00 C ATOM 993 O LEU A 72 -11.504 9.042 -3.608 1.00 0.00 O ATOM 994 CB LEU A 72 -12.895 6.592 -5.088 1.00 0.00 C ATOM 995 CG LEU A 72 -13.875 5.753 -5.910 1.00 0.00 C ATOM 996 CD1 LEU A 72 -13.558 4.261 -5.785 1.00 0.00 C ATOM 997 CD2 LEU A 72 -15.322 6.066 -5.525 1.00 0.00 C ATOM 0 H LEU A 72 -11.455 8.440 -6.337 1.00 0.00 H new ATOM 0 HA LEU A 72 -14.201 8.241 -5.205 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -11.886 6.391 -5.447 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -12.938 6.254 -4.052 1.00 0.00 H new ATOM 0 HG LEU A 72 -13.757 6.020 -6.960 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -14.269 3.687 -6.379 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -12.547 4.072 -6.147 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -13.631 3.960 -4.740 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -15.998 5.456 -6.124 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -15.473 5.844 -4.469 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -15.527 7.121 -5.708 1.00 0.00 H new ATOM 1009 N GLY A 73 -13.682 9.137 -3.007 1.00 0.00 N ATOM 1010 CA GLY A 73 -13.420 9.814 -1.748 1.00 0.00 C ATOM 1011 C GLY A 73 -12.701 8.886 -0.767 1.00 0.00 C ATOM 1012 O GLY A 73 -12.772 7.665 -0.895 1.00 0.00 O ATOM 0 H GLY A 73 -14.667 8.944 -3.191 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -12.812 10.701 -1.927 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -14.359 10.154 -1.311 1.00 0.00 H new ATOM 1016 N TYR A 74 -12.025 9.502 0.192 1.00 0.00 N ATOM 1017 CA TYR A 74 -11.294 8.747 1.195 1.00 0.00 C ATOM 1018 C TYR A 74 -12.225 7.799 1.954 1.00 0.00 C ATOM 1019 O TYR A 74 -11.802 6.732 2.399 1.00 0.00 O ATOM 1020 CB TYR A 74 -10.730 9.780 2.173 1.00 0.00 C ATOM 1021 CG TYR A 74 -10.036 9.169 3.392 1.00 0.00 C ATOM 1022 CD1 TYR A 74 -10.783 8.747 4.473 1.00 0.00 C ATOM 1023 CD2 TYR A 74 -8.662 9.040 3.411 1.00 0.00 C ATOM 1024 CE1 TYR A 74 -10.129 8.172 5.620 1.00 0.00 C ATOM 1025 CE2 TYR A 74 -8.008 8.465 4.558 1.00 0.00 C ATOM 1026 CZ TYR A 74 -8.774 8.060 5.606 1.00 0.00 C ATOM 1027 OH TYR A 74 -8.157 7.517 6.689 1.00 0.00 O ATOM 0 H TYR A 74 -11.968 10.515 0.295 1.00 0.00 H new ATOM 0 HA TYR A 74 -10.515 8.144 0.729 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -10.020 10.416 1.644 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -11.541 10.423 2.514 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -11.858 8.848 4.459 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -8.077 9.370 2.565 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -10.702 7.837 6.472 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -6.934 8.358 4.585 1.00 0.00 H new ATOM 0 HH TYR A 74 -7.189 7.499 6.539 1.00 0.00 H new ATOM 1037 N LEU A 75 -13.474 8.222 2.080 1.00 0.00 N ATOM 1038 CA LEU A 75 -14.468 7.424 2.777 1.00 0.00 C ATOM 1039 C LEU A 75 -14.956 6.305 1.855 1.00 0.00 C ATOM 1040 O LEU A 75 -15.419 5.266 2.324 1.00 0.00 O ATOM 1041 CB LEU A 75 -15.592 8.314 3.311 1.00 0.00 C ATOM 1042 CG LEU A 75 -15.323 9.002 4.651 1.00 0.00 C ATOM 1043 CD1 LEU A 75 -16.541 9.809 5.107 1.00 0.00 C ATOM 1044 CD2 LEU A 75 -14.878 7.989 5.708 1.00 0.00 C ATOM 0 H LEU A 75 -13.821 9.108 1.711 1.00 0.00 H new ATOM 0 HA LEU A 75 -14.027 6.947 3.652 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -15.805 9.082 2.567 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -16.492 7.708 3.411 1.00 0.00 H new ATOM 0 HG LEU A 75 -14.502 9.706 4.515 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -16.324 10.288 6.062 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -16.772 10.571 4.363 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -17.396 9.143 5.222 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -14.693 8.504 6.651 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -15.660 7.243 5.849 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -13.963 7.497 5.378 1.00 0.00 H new ATOM 1056 N ARG A 76 -14.834 6.554 0.559 1.00 0.00 N ATOM 1057 CA ARG A 76 -15.257 5.580 -0.433 1.00 0.00 C ATOM 1058 C ARG A 76 -14.180 4.509 -0.618 1.00 0.00 C ATOM 1059 O ARG A 76 -14.491 3.325 -0.735 1.00 0.00 O ATOM 1060 CB ARG A 76 -15.536 6.251 -1.779 1.00 0.00 C ATOM 1061 CG ARG A 76 -17.039 6.430 -2.002 1.00 0.00 C ATOM 1062 CD ARG A 76 -17.588 5.347 -2.933 1.00 0.00 C ATOM 1063 NE ARG A 76 -18.697 5.894 -3.747 1.00 0.00 N ATOM 1064 CZ ARG A 76 -19.577 5.141 -4.421 1.00 0.00 C ATOM 1065 NH1 ARG A 76 -19.482 3.805 -4.383 1.00 0.00 N ATOM 1066 NH2 ARG A 76 -20.551 5.724 -5.133 1.00 0.00 N ATOM 0 H ARG A 76 -14.448 7.416 0.173 1.00 0.00 H new ATOM 0 HA ARG A 76 -16.176 5.117 -0.073 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -15.041 7.222 -1.815 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -15.115 5.649 -2.584 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -17.560 6.390 -1.045 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -17.232 7.414 -2.429 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -16.795 4.979 -3.584 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -17.940 4.497 -2.348 1.00 0.00 H new ATOM 0 HE ARG A 76 -18.798 6.908 -3.798 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -18.740 3.362 -3.841 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -20.152 3.231 -4.896 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -20.623 6.741 -5.162 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -21.221 5.151 -5.646 1.00 0.00 H new ATOM 1080 N ALA A 77 -12.936 4.964 -0.638 1.00 0.00 N ATOM 1081 CA ALA A 77 -11.812 4.059 -0.807 1.00 0.00 C ATOM 1082 C ALA A 77 -11.698 3.159 0.424 1.00 0.00 C ATOM 1083 O ALA A 77 -11.612 1.938 0.299 1.00 0.00 O ATOM 1084 CB ALA A 77 -10.538 4.869 -1.057 1.00 0.00 C ATOM 0 H ALA A 77 -12.682 5.947 -0.540 1.00 0.00 H new ATOM 0 HA ALA A 77 -11.965 3.415 -1.673 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -9.694 4.190 -1.184 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -10.660 5.469 -1.959 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -10.351 5.525 -0.207 1.00 0.00 H new ATOM 1090 N VAL A 78 -11.701 3.795 1.586 1.00 0.00 N ATOM 1091 CA VAL A 78 -11.599 3.067 2.839 1.00 0.00 C ATOM 1092 C VAL A 78 -12.663 1.968 2.873 1.00 0.00 C ATOM 1093 O VAL A 78 -12.347 0.799 3.086 1.00 0.00 O ATOM 1094 CB VAL A 78 -11.702 4.036 4.018 1.00 0.00 C ATOM 1095 CG1 VAL A 78 -13.070 4.721 4.047 1.00 0.00 C ATOM 1096 CG2 VAL A 78 -11.418 3.323 5.341 1.00 0.00 C ATOM 0 H VAL A 78 -11.773 4.808 1.686 1.00 0.00 H new ATOM 0 HA VAL A 78 -10.627 2.581 2.920 1.00 0.00 H new ATOM 0 HB VAL A 78 -10.944 4.807 3.884 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -13.117 5.405 4.895 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -13.217 5.279 3.122 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -13.852 3.968 4.145 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -11.498 4.035 6.162 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -12.142 2.521 5.485 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -10.412 2.905 5.320 1.00 0.00 H new ATOM 1106 N ASP A 79 -13.903 2.384 2.661 1.00 0.00 N ATOM 1107 CA ASP A 79 -15.016 1.450 2.665 1.00 0.00 C ATOM 1108 C ASP A 79 -14.710 0.293 1.711 1.00 0.00 C ATOM 1109 O ASP A 79 -14.775 -0.871 2.101 1.00 0.00 O ATOM 1110 CB ASP A 79 -16.304 2.126 2.190 1.00 0.00 C ATOM 1111 CG ASP A 79 -17.555 1.774 2.998 1.00 0.00 C ATOM 1112 OD1 ASP A 79 -17.509 1.976 4.231 1.00 0.00 O ATOM 1113 OD2 ASP A 79 -18.529 1.313 2.364 1.00 0.00 O ATOM 0 H ASP A 79 -14.161 3.355 2.485 1.00 0.00 H new ATOM 0 HA ASP A 79 -15.151 1.092 3.686 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -16.162 3.206 2.221 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -16.475 1.856 1.148 1.00 0.00 H new ATOM 1118 N LEU A 80 -14.381 0.655 0.480 1.00 0.00 N ATOM 1119 CA LEU A 80 -14.064 -0.338 -0.532 1.00 0.00 C ATOM 1120 C LEU A 80 -13.153 -1.406 0.075 1.00 0.00 C ATOM 1121 O LEU A 80 -13.446 -2.598 -0.010 1.00 0.00 O ATOM 1122 CB LEU A 80 -13.480 0.334 -1.777 1.00 0.00 C ATOM 1123 CG LEU A 80 -14.491 0.962 -2.737 1.00 0.00 C ATOM 1124 CD1 LEU A 80 -13.782 1.684 -3.885 1.00 0.00 C ATOM 1125 CD2 LEU A 80 -15.488 -0.082 -3.245 1.00 0.00 C ATOM 0 H LEU A 80 -14.327 1.622 0.160 1.00 0.00 H new ATOM 0 HA LEU A 80 -14.970 -0.844 -0.866 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -12.785 1.109 -1.455 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -12.899 -0.407 -2.326 1.00 0.00 H new ATOM 0 HG LEU A 80 -15.062 1.712 -2.189 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -14.524 2.122 -4.553 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -13.147 2.473 -3.482 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -13.170 0.973 -4.439 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -16.195 0.392 -3.926 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -14.952 -0.872 -3.771 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -16.028 -0.510 -2.401 1.00 0.00 H new ATOM 1137 N ILE A 81 -12.067 -0.941 0.675 1.00 0.00 N ATOM 1138 CA ILE A 81 -11.112 -1.842 1.297 1.00 0.00 C ATOM 1139 C ILE A 81 -11.777 -2.546 2.481 1.00 0.00 C ATOM 1140 O ILE A 81 -11.589 -3.745 2.680 1.00 0.00 O ATOM 1141 CB ILE A 81 -9.831 -1.091 1.668 1.00 0.00 C ATOM 1142 CG1 ILE A 81 -8.943 -0.882 0.440 1.00 0.00 C ATOM 1143 CG2 ILE A 81 -9.087 -1.803 2.799 1.00 0.00 C ATOM 1144 CD1 ILE A 81 -8.956 0.582 -0.004 1.00 0.00 C ATOM 0 H ILE A 81 -11.827 0.048 0.744 1.00 0.00 H new ATOM 0 HA ILE A 81 -10.808 -2.618 0.595 1.00 0.00 H new ATOM 0 HB ILE A 81 -10.108 -0.103 2.036 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -7.922 -1.187 0.669 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -9.290 -1.516 -0.376 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -8.181 -1.249 3.044 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -9.728 -1.857 3.679 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -8.821 -2.811 2.482 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -8.317 0.703 -0.879 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -9.975 0.877 -0.256 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -8.586 1.211 0.806 1.00 0.00 H new ATOM 1156 N ARG A 82 -12.541 -1.770 3.236 1.00 0.00 N ATOM 1157 CA ARG A 82 -13.235 -2.305 4.396 1.00 0.00 C ATOM 1158 C ARG A 82 -14.114 -3.489 3.989 1.00 0.00 C ATOM 1159 O ARG A 82 -13.991 -4.579 4.546 1.00 0.00 O ATOM 1160 CB ARG A 82 -14.106 -1.235 5.057 1.00 0.00 C ATOM 1161 CG ARG A 82 -13.248 -0.217 5.810 1.00 0.00 C ATOM 1162 CD ARG A 82 -13.565 -0.233 7.307 1.00 0.00 C ATOM 1163 NE ARG A 82 -12.963 -1.428 7.940 1.00 0.00 N ATOM 1164 CZ ARG A 82 -11.656 -1.558 8.207 1.00 0.00 C ATOM 1165 NH1 ARG A 82 -10.807 -0.569 7.898 1.00 0.00 N ATOM 1166 NH2 ARG A 82 -11.199 -2.678 8.783 1.00 0.00 N ATOM 0 H ARG A 82 -12.695 -0.776 3.068 1.00 0.00 H new ATOM 0 HA ARG A 82 -12.481 -2.637 5.110 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -14.700 -0.725 4.298 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -14.806 -1.706 5.747 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -12.192 -0.441 5.656 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -13.424 0.781 5.408 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -13.180 0.671 7.778 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -14.644 -0.236 7.458 1.00 0.00 H new ATOM 0 HE ARG A 82 -13.581 -2.200 8.188 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -11.155 0.284 7.459 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -9.812 -0.668 8.101 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -11.846 -3.431 9.018 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -10.204 -2.778 8.986 1.00 0.00 H new ATOM 1180 N HIS A 83 -14.982 -3.235 3.020 1.00 0.00 N ATOM 1181 CA HIS A 83 -15.882 -4.267 2.532 1.00 0.00 C ATOM 1182 C HIS A 83 -15.246 -4.978 1.336 1.00 0.00 C ATOM 1183 O HIS A 83 -15.943 -5.369 0.400 1.00 0.00 O ATOM 1184 CB HIS A 83 -17.258 -3.680 2.211 1.00 0.00 C ATOM 1185 CG HIS A 83 -17.834 -2.826 3.315 1.00 0.00 C ATOM 1186 ND1 HIS A 83 -17.793 -1.443 3.293 1.00 0.00 N ATOM 1187 CD2 HIS A 83 -18.467 -3.174 4.473 1.00 0.00 C ATOM 1188 CE1 HIS A 83 -18.375 -0.989 4.393 1.00 0.00 C ATOM 1189 NE2 HIS A 83 -18.792 -2.063 5.123 1.00 0.00 N ATOM 0 H HIS A 83 -15.081 -2.330 2.560 1.00 0.00 H new ATOM 0 HA HIS A 83 -16.043 -5.013 3.310 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -17.183 -3.081 1.304 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -17.949 -4.496 1.998 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -18.669 -4.182 4.804 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -18.498 0.049 4.664 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -19.274 -2.020 6.021 1.00 0.00 H new ATOM 1197 N GLY A 84 -13.931 -5.123 1.405 1.00 0.00 N ATOM 1198 CA GLY A 84 -13.194 -5.780 0.339 1.00 0.00 C ATOM 1199 C GLY A 84 -13.976 -6.974 -0.214 1.00 0.00 C ATOM 1200 O GLY A 84 -14.792 -6.819 -1.121 1.00 0.00 O ATOM 0 H GLY A 84 -13.357 -4.797 2.182 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -12.995 -5.068 -0.462 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -12.227 -6.116 0.714 1.00 0.00 H new ATOM 1204 N GLY A 85 -13.699 -8.137 0.357 1.00 0.00 N ATOM 1205 CA GLY A 85 -14.366 -9.356 -0.067 1.00 0.00 C ATOM 1206 C GLY A 85 -13.417 -10.554 0.007 1.00 0.00 C ATOM 1207 O GLY A 85 -13.210 -11.249 -0.987 1.00 0.00 O ATOM 0 H GLY A 85 -13.022 -8.261 1.110 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -15.236 -9.537 0.564 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -14.731 -9.239 -1.087 1.00 0.00 H new ATOM 1211 N LYS A 86 -12.866 -10.759 1.194 1.00 0.00 N ATOM 1212 CA LYS A 86 -11.944 -11.861 1.411 1.00 0.00 C ATOM 1213 C LYS A 86 -10.648 -11.596 0.642 1.00 0.00 C ATOM 1214 O LYS A 86 -9.584 -11.456 1.241 1.00 0.00 O ATOM 1215 CB LYS A 86 -12.608 -13.193 1.056 1.00 0.00 C ATOM 1216 CG LYS A 86 -13.383 -13.755 2.249 1.00 0.00 C ATOM 1217 CD LYS A 86 -12.444 -14.466 3.227 1.00 0.00 C ATOM 1218 CE LYS A 86 -12.874 -14.221 4.675 1.00 0.00 C ATOM 1219 NZ LYS A 86 -11.897 -14.819 5.613 1.00 0.00 N ATOM 0 H LYS A 86 -13.040 -10.181 2.016 1.00 0.00 H new ATOM 0 HA LYS A 86 -11.680 -11.934 2.466 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -13.284 -13.053 0.212 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -11.849 -13.909 0.741 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -13.904 -12.947 2.762 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -14.144 -14.452 1.897 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -12.441 -15.536 3.021 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -11.424 -14.110 3.081 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -12.956 -13.150 4.860 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -13.861 -14.651 4.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -12.203 -14.644 6.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -11.838 -15.844 5.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -10.962 -14.390 5.461 1.00 0.00 H new ATOM 1233 N LYS A 87 -10.781 -11.534 -0.675 1.00 0.00 N ATOM 1234 CA LYS A 87 -9.635 -11.288 -1.533 1.00 0.00 C ATOM 1235 C LYS A 87 -9.542 -9.791 -1.835 1.00 0.00 C ATOM 1236 O LYS A 87 -10.376 -9.247 -2.557 1.00 0.00 O ATOM 1237 CB LYS A 87 -9.703 -12.165 -2.784 1.00 0.00 C ATOM 1238 CG LYS A 87 -8.727 -13.339 -2.685 1.00 0.00 C ATOM 1239 CD LYS A 87 -8.874 -14.278 -3.884 1.00 0.00 C ATOM 1240 CE LYS A 87 -9.699 -15.513 -3.515 1.00 0.00 C ATOM 1241 NZ LYS A 87 -9.887 -16.383 -4.697 1.00 0.00 N ATOM 0 H LYS A 87 -11.666 -11.650 -1.169 1.00 0.00 H new ATOM 0 HA LYS A 87 -8.712 -11.569 -1.026 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -10.718 -12.541 -2.914 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -9.470 -11.567 -3.665 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -7.705 -12.963 -2.636 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -8.909 -13.890 -1.762 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -9.353 -13.749 -4.708 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -7.888 -14.586 -4.233 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -9.198 -16.069 -2.723 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -10.669 -15.206 -3.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -10.449 -17.216 -4.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -10.385 -15.854 -5.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -8.959 -16.691 -5.053 1.00 0.00 H new ATOM 1255 N MET A 88 -8.520 -9.167 -1.268 1.00 0.00 N ATOM 1256 CA MET A 88 -8.307 -7.744 -1.468 1.00 0.00 C ATOM 1257 C MET A 88 -7.159 -7.494 -2.448 1.00 0.00 C ATOM 1258 O MET A 88 -6.029 -7.915 -2.207 1.00 0.00 O ATOM 1259 CB MET A 88 -7.987 -7.082 -0.127 1.00 0.00 C ATOM 1260 CG MET A 88 -9.224 -7.038 0.772 1.00 0.00 C ATOM 1261 SD MET A 88 -9.564 -5.355 1.260 1.00 0.00 S ATOM 1262 CE MET A 88 -9.975 -4.649 -0.327 1.00 0.00 C ATOM 0 H MET A 88 -7.830 -9.621 -0.670 1.00 0.00 H new ATOM 0 HA MET A 88 -9.217 -7.315 -1.887 1.00 0.00 H new ATOM 0 HB2 MET A 88 -7.189 -7.632 0.373 1.00 0.00 H new ATOM 0 HB3 MET A 88 -7.619 -6.070 -0.296 1.00 0.00 H new ATOM 0 HG2 MET A 88 -10.083 -7.453 0.244 1.00 0.00 H new ATOM 0 HG3 MET A 88 -9.064 -7.656 1.655 1.00 0.00 H new ATOM 0 HE1 MET A 88 -9.352 -3.773 -0.508 1.00 0.00 H new ATOM 0 HE2 MET A 88 -9.800 -5.387 -1.110 1.00 0.00 H new ATOM 0 HE3 MET A 88 -11.025 -4.355 -0.334 1.00 0.00 H new ATOM 1272 N ARG A 89 -7.489 -6.809 -3.534 1.00 0.00 N ATOM 1273 CA ARG A 89 -6.500 -6.498 -4.551 1.00 0.00 C ATOM 1274 C ARG A 89 -6.244 -4.990 -4.599 1.00 0.00 C ATOM 1275 O ARG A 89 -7.183 -4.196 -4.567 1.00 0.00 O ATOM 1276 CB ARG A 89 -6.960 -6.974 -5.931 1.00 0.00 C ATOM 1277 CG ARG A 89 -6.007 -6.488 -7.025 1.00 0.00 C ATOM 1278 CD ARG A 89 -6.748 -5.642 -8.062 1.00 0.00 C ATOM 1279 NE ARG A 89 -5.884 -5.415 -9.241 1.00 0.00 N ATOM 1280 CZ ARG A 89 -5.755 -6.280 -10.256 1.00 0.00 C ATOM 1281 NH1 ARG A 89 -6.434 -7.435 -10.242 1.00 0.00 N ATOM 1282 NH2 ARG A 89 -4.948 -5.990 -11.286 1.00 0.00 N ATOM 0 H ARG A 89 -8.427 -6.461 -3.731 1.00 0.00 H new ATOM 0 HA ARG A 89 -5.579 -7.019 -4.288 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -7.011 -8.063 -5.946 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -7.966 -6.605 -6.130 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -5.204 -5.901 -6.578 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -5.542 -7.344 -7.514 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -7.666 -6.145 -8.365 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -7.038 -4.687 -7.624 1.00 0.00 H new ATOM 0 HE ARG A 89 -5.353 -4.545 -9.284 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -7.049 -7.656 -9.459 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -6.336 -8.094 -11.015 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -4.432 -5.110 -11.297 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -4.850 -6.649 -12.058 1.00 0.00 H new ATOM 1296 N PHE A 90 -4.968 -4.641 -4.676 1.00 0.00 N ATOM 1297 CA PHE A 90 -4.577 -3.242 -4.728 1.00 0.00 C ATOM 1298 C PHE A 90 -3.546 -3.003 -5.833 1.00 0.00 C ATOM 1299 O PHE A 90 -2.598 -3.772 -5.979 1.00 0.00 O ATOM 1300 CB PHE A 90 -3.947 -2.903 -3.376 1.00 0.00 C ATOM 1301 CG PHE A 90 -4.778 -3.352 -2.172 1.00 0.00 C ATOM 1302 CD1 PHE A 90 -5.979 -2.766 -1.919 1.00 0.00 C ATOM 1303 CD2 PHE A 90 -4.315 -4.336 -1.355 1.00 0.00 C ATOM 1304 CE1 PHE A 90 -6.750 -3.183 -0.802 1.00 0.00 C ATOM 1305 CE2 PHE A 90 -5.086 -4.752 -0.238 1.00 0.00 C ATOM 1306 CZ PHE A 90 -6.288 -4.167 0.015 1.00 0.00 C ATOM 0 H PHE A 90 -4.192 -5.302 -4.704 1.00 0.00 H new ATOM 0 HA PHE A 90 -5.447 -2.619 -4.938 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -2.963 -3.368 -3.319 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -3.795 -1.825 -3.318 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -6.346 -1.984 -2.567 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -3.361 -4.801 -1.556 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -7.704 -2.718 -0.601 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -4.718 -5.533 0.411 1.00 0.00 H new ATOM 0 HZ PHE A 90 -6.875 -4.484 0.864 1.00 0.00 H new ATOM 1316 N LEU A 91 -3.766 -1.932 -6.582 1.00 0.00 N ATOM 1317 CA LEU A 91 -2.868 -1.581 -7.669 1.00 0.00 C ATOM 1318 C LEU A 91 -1.957 -0.436 -7.222 1.00 0.00 C ATOM 1319 O LEU A 91 -2.287 0.734 -7.408 1.00 0.00 O ATOM 1320 CB LEU A 91 -3.660 -1.276 -8.941 1.00 0.00 C ATOM 1321 CG LEU A 91 -2.835 -1.088 -10.216 1.00 0.00 C ATOM 1322 CD1 LEU A 91 -1.947 -2.306 -10.479 1.00 0.00 C ATOM 1323 CD2 LEU A 91 -3.736 -0.767 -11.410 1.00 0.00 C ATOM 0 H LEU A 91 -4.553 -1.296 -6.457 1.00 0.00 H new ATOM 0 HA LEU A 91 -2.223 -2.424 -7.918 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -4.369 -2.087 -9.107 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -4.244 -0.371 -8.773 1.00 0.00 H new ATOM 0 HG LEU A 91 -2.174 -0.233 -10.072 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -1.371 -2.147 -11.391 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -1.266 -2.448 -9.640 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -2.570 -3.193 -10.594 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -3.124 -0.638 -12.303 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -4.438 -1.586 -11.566 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -4.288 0.152 -11.213 1.00 0.00 H new ATOM 1335 N VAL A 92 -0.827 -0.814 -6.641 1.00 0.00 N ATOM 1336 CA VAL A 92 0.134 0.167 -6.166 1.00 0.00 C ATOM 1337 C VAL A 92 1.306 0.242 -7.146 1.00 0.00 C ATOM 1338 O VAL A 92 1.679 -0.762 -7.752 1.00 0.00 O ATOM 1339 CB VAL A 92 0.568 -0.174 -4.739 1.00 0.00 C ATOM 1340 CG1 VAL A 92 0.441 -1.675 -4.471 1.00 0.00 C ATOM 1341 CG2 VAL A 92 1.994 0.312 -4.469 1.00 0.00 C ATOM 0 H VAL A 92 -0.556 -1.785 -6.489 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.319 1.157 -6.125 1.00 0.00 H new ATOM 0 HB VAL A 92 -0.100 0.347 -4.052 1.00 0.00 H new ATOM 0 HG11 VAL A 92 0.756 -1.890 -3.450 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -0.597 -1.982 -4.603 1.00 0.00 H new ATOM 0 HG13 VAL A 92 1.073 -2.224 -5.169 1.00 0.00 H new ATOM 0 HG21 VAL A 92 2.278 0.057 -3.448 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.680 -0.168 -5.167 1.00 0.00 H new ATOM 0 HG23 VAL A 92 2.041 1.393 -4.599 1.00 0.00 H new ATOM 1351 N ALA A 93 1.855 1.441 -7.272 1.00 0.00 N ATOM 1352 CA ALA A 93 2.978 1.660 -8.168 1.00 0.00 C ATOM 1353 C ALA A 93 4.281 1.603 -7.369 1.00 0.00 C ATOM 1354 O ALA A 93 4.259 1.455 -6.148 1.00 0.00 O ATOM 1355 CB ALA A 93 2.798 2.993 -8.896 1.00 0.00 C ATOM 0 H ALA A 93 1.543 2.271 -6.768 1.00 0.00 H new ATOM 0 HA ALA A 93 3.022 0.878 -8.926 1.00 0.00 H new ATOM 0 HB1 ALA A 93 3.640 3.157 -9.568 1.00 0.00 H new ATOM 0 HB2 ALA A 93 1.873 2.971 -9.472 1.00 0.00 H new ATOM 0 HB3 ALA A 93 2.752 3.802 -8.167 1.00 0.00 H new ATOM 1361 N LYS A 94 5.386 1.724 -8.091 1.00 0.00 N ATOM 1362 CA LYS A 94 6.697 1.689 -7.464 1.00 0.00 C ATOM 1363 C LYS A 94 7.030 3.076 -6.911 1.00 0.00 C ATOM 1364 O LYS A 94 7.296 4.004 -7.672 1.00 0.00 O ATOM 1365 CB LYS A 94 7.743 1.149 -8.441 1.00 0.00 C ATOM 1366 CG LYS A 94 8.767 0.272 -7.718 1.00 0.00 C ATOM 1367 CD LYS A 94 9.645 1.109 -6.786 1.00 0.00 C ATOM 1368 CE LYS A 94 10.562 2.038 -7.583 1.00 0.00 C ATOM 1369 NZ LYS A 94 11.982 1.714 -7.323 1.00 0.00 N ATOM 0 H LYS A 94 5.400 1.846 -9.104 1.00 0.00 H new ATOM 0 HA LYS A 94 6.698 1.000 -6.619 1.00 0.00 H new ATOM 0 HB2 LYS A 94 7.251 0.571 -9.223 1.00 0.00 H new ATOM 0 HB3 LYS A 94 8.251 1.979 -8.931 1.00 0.00 H new ATOM 0 HG2 LYS A 94 8.251 -0.497 -7.144 1.00 0.00 H new ATOM 0 HG3 LYS A 94 9.392 -0.241 -8.449 1.00 0.00 H new ATOM 0 HD2 LYS A 94 9.015 1.698 -6.119 1.00 0.00 H new ATOM 0 HD3 LYS A 94 10.245 0.451 -6.158 1.00 0.00 H new ATOM 0 HE2 LYS A 94 10.350 1.942 -8.648 1.00 0.00 H new ATOM 0 HE3 LYS A 94 10.364 3.075 -7.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 12.590 2.354 -7.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 12.184 1.829 -6.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 12.171 0.731 -7.605 1.00 0.00 H new ATOM 1383 N SER A 95 7.005 3.172 -5.590 1.00 0.00 N ATOM 1384 CA SER A 95 7.302 4.430 -4.925 1.00 0.00 C ATOM 1385 C SER A 95 8.810 4.565 -4.710 1.00 0.00 C ATOM 1386 O SER A 95 9.579 3.695 -5.116 1.00 0.00 O ATOM 1387 CB SER A 95 6.564 4.534 -3.589 1.00 0.00 C ATOM 1388 OG SER A 95 5.477 5.454 -3.650 1.00 0.00 O ATOM 0 H SER A 95 6.784 2.399 -4.962 1.00 0.00 H new ATOM 0 HA SER A 95 6.958 5.244 -5.564 1.00 0.00 H new ATOM 0 HB2 SER A 95 6.191 3.550 -3.303 1.00 0.00 H new ATOM 0 HB3 SER A 95 7.262 4.848 -2.813 1.00 0.00 H new ATOM 0 HG SER A 95 4.706 5.022 -4.074 1.00 0.00 H new ATOM 1394 N ASP A 96 9.189 5.663 -4.072 1.00 0.00 N ATOM 1395 CA ASP A 96 10.592 5.923 -3.798 1.00 0.00 C ATOM 1396 C ASP A 96 10.794 6.064 -2.288 1.00 0.00 C ATOM 1397 O ASP A 96 9.837 5.987 -1.519 1.00 0.00 O ATOM 1398 CB ASP A 96 11.050 7.224 -4.460 1.00 0.00 C ATOM 1399 CG ASP A 96 11.559 7.074 -5.895 1.00 0.00 C ATOM 1400 OD1 ASP A 96 10.716 7.183 -6.811 1.00 0.00 O ATOM 1401 OD2 ASP A 96 12.781 6.854 -6.044 1.00 0.00 O ATOM 0 H ASP A 96 8.549 6.383 -3.737 1.00 0.00 H new ATOM 0 HA ASP A 96 11.174 5.092 -4.196 1.00 0.00 H new ATOM 0 HB2 ASP A 96 10.218 7.928 -4.457 1.00 0.00 H new ATOM 0 HB3 ASP A 96 11.842 7.664 -3.854 1.00 0.00 H new ATOM 1406 N VAL A 97 12.047 6.269 -1.908 1.00 0.00 N ATOM 1407 CA VAL A 97 12.387 6.422 -0.503 1.00 0.00 C ATOM 1408 C VAL A 97 11.831 7.752 0.010 1.00 0.00 C ATOM 1409 O VAL A 97 10.998 7.772 0.915 1.00 0.00 O ATOM 1410 CB VAL A 97 13.900 6.294 -0.315 1.00 0.00 C ATOM 1411 CG1 VAL A 97 14.306 6.648 1.118 1.00 0.00 C ATOM 1412 CG2 VAL A 97 14.383 4.892 -0.691 1.00 0.00 C ATOM 0 H VAL A 97 12.839 6.333 -2.548 1.00 0.00 H new ATOM 0 HA VAL A 97 11.931 5.629 0.090 1.00 0.00 H new ATOM 0 HB VAL A 97 14.382 7.005 -0.986 1.00 0.00 H new ATOM 0 HG11 VAL A 97 15.386 6.549 1.225 1.00 0.00 H new ATOM 0 HG12 VAL A 97 14.012 7.675 1.336 1.00 0.00 H new ATOM 0 HG13 VAL A 97 13.809 5.973 1.814 1.00 0.00 H new ATOM 0 HG21 VAL A 97 15.462 4.828 -0.548 1.00 0.00 H new ATOM 0 HG22 VAL A 97 13.889 4.155 -0.058 1.00 0.00 H new ATOM 0 HG23 VAL A 97 14.143 4.692 -1.735 1.00 0.00 H new ATOM 1422 N GLU A 98 12.314 8.830 -0.590 1.00 0.00 N ATOM 1423 CA GLU A 98 11.876 10.160 -0.205 1.00 0.00 C ATOM 1424 C GLU A 98 10.352 10.199 -0.070 1.00 0.00 C ATOM 1425 O GLU A 98 9.826 10.718 0.913 1.00 0.00 O ATOM 1426 CB GLU A 98 12.364 11.209 -1.206 1.00 0.00 C ATOM 1427 CG GLU A 98 13.892 11.272 -1.234 1.00 0.00 C ATOM 1428 CD GLU A 98 14.377 12.649 -1.690 1.00 0.00 C ATOM 1429 OE1 GLU A 98 14.163 13.610 -0.920 1.00 0.00 O ATOM 1430 OE2 GLU A 98 14.951 12.710 -2.799 1.00 0.00 O ATOM 0 H GLU A 98 13.005 8.809 -1.340 1.00 0.00 H new ATOM 0 HA GLU A 98 12.314 10.399 0.764 1.00 0.00 H new ATOM 0 HB2 GLU A 98 11.988 10.970 -2.201 1.00 0.00 H new ATOM 0 HB3 GLU A 98 11.961 12.186 -0.939 1.00 0.00 H new ATOM 0 HG2 GLU A 98 14.286 11.054 -0.242 1.00 0.00 H new ATOM 0 HG3 GLU A 98 14.279 10.506 -1.906 1.00 0.00 H new ATOM 1437 N THR A 99 9.687 9.642 -1.071 1.00 0.00 N ATOM 1438 CA THR A 99 8.234 9.607 -1.076 1.00 0.00 C ATOM 1439 C THR A 99 7.708 9.124 0.277 1.00 0.00 C ATOM 1440 O THR A 99 6.775 9.706 0.828 1.00 0.00 O ATOM 1441 CB THR A 99 7.787 8.733 -2.250 1.00 0.00 C ATOM 1442 OG1 THR A 99 7.918 9.583 -3.386 1.00 0.00 O ATOM 1443 CG2 THR A 99 6.293 8.405 -2.200 1.00 0.00 C ATOM 0 H THR A 99 10.127 9.211 -1.884 1.00 0.00 H new ATOM 0 HA THR A 99 7.814 10.603 -1.215 1.00 0.00 H new ATOM 0 HB THR A 99 8.362 7.807 -2.252 1.00 0.00 H new ATOM 0 HG1 THR A 99 7.650 9.095 -4.192 1.00 0.00 H new ATOM 0 HG21 THR A 99 6.028 7.783 -3.055 1.00 0.00 H new ATOM 0 HG22 THR A 99 6.069 7.869 -1.278 1.00 0.00 H new ATOM 0 HG23 THR A 99 5.716 9.329 -2.231 1.00 0.00 H new ATOM 1451 N ALA A 100 8.329 8.064 0.773 1.00 0.00 N ATOM 1452 CA ALA A 100 7.935 7.495 2.051 1.00 0.00 C ATOM 1453 C ALA A 100 8.119 8.545 3.149 1.00 0.00 C ATOM 1454 O ALA A 100 7.174 8.868 3.867 1.00 0.00 O ATOM 1455 CB ALA A 100 8.746 6.225 2.317 1.00 0.00 C ATOM 0 H ALA A 100 9.102 7.584 0.313 1.00 0.00 H new ATOM 0 HA ALA A 100 6.882 7.212 2.037 1.00 0.00 H new ATOM 0 HB1 ALA A 100 8.450 5.799 3.276 1.00 0.00 H new ATOM 0 HB2 ALA A 100 8.558 5.501 1.524 1.00 0.00 H new ATOM 0 HB3 ALA A 100 9.808 6.470 2.341 1.00 0.00 H new ATOM 1461 N LYS A 101 9.341 9.048 3.244 1.00 0.00 N ATOM 1462 CA LYS A 101 9.660 10.054 4.242 1.00 0.00 C ATOM 1463 C LYS A 101 8.492 11.035 4.363 1.00 0.00 C ATOM 1464 O LYS A 101 7.851 11.116 5.410 1.00 0.00 O ATOM 1465 CB LYS A 101 10.996 10.726 3.918 1.00 0.00 C ATOM 1466 CG LYS A 101 12.155 9.735 4.051 1.00 0.00 C ATOM 1467 CD LYS A 101 13.284 10.078 3.077 1.00 0.00 C ATOM 1468 CE LYS A 101 14.643 10.037 3.778 1.00 0.00 C ATOM 1469 NZ LYS A 101 15.333 11.340 3.648 1.00 0.00 N ATOM 0 H LYS A 101 10.122 8.777 2.646 1.00 0.00 H new ATOM 0 HA LYS A 101 9.791 9.591 5.220 1.00 0.00 H new ATOM 0 HB2 LYS A 101 10.969 11.126 2.904 1.00 0.00 H new ATOM 0 HB3 LYS A 101 11.155 11.570 4.590 1.00 0.00 H new ATOM 0 HG2 LYS A 101 12.535 9.749 5.073 1.00 0.00 H new ATOM 0 HG3 LYS A 101 11.798 8.724 3.857 1.00 0.00 H new ATOM 0 HD2 LYS A 101 13.278 9.374 2.245 1.00 0.00 H new ATOM 0 HD3 LYS A 101 13.118 11.070 2.656 1.00 0.00 H new ATOM 0 HE2 LYS A 101 14.508 9.794 4.832 1.00 0.00 H new ATOM 0 HE3 LYS A 101 15.258 9.248 3.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 16.254 11.295 4.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 15.479 11.557 2.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 14.752 12.085 4.082 1.00 0.00 H new ATOM 1483 N LYS A 102 8.251 11.755 3.278 1.00 0.00 N ATOM 1484 CA LYS A 102 7.171 12.727 3.250 1.00 0.00 C ATOM 1485 C LYS A 102 5.936 12.131 3.928 1.00 0.00 C ATOM 1486 O LYS A 102 5.324 12.770 4.783 1.00 0.00 O ATOM 1487 CB LYS A 102 6.916 13.203 1.818 1.00 0.00 C ATOM 1488 CG LYS A 102 8.129 13.957 1.267 1.00 0.00 C ATOM 1489 CD LYS A 102 8.076 14.039 -0.260 1.00 0.00 C ATOM 1490 CE LYS A 102 9.403 13.597 -0.879 1.00 0.00 C ATOM 1491 NZ LYS A 102 9.892 14.614 -1.837 1.00 0.00 N ATOM 0 H LYS A 102 8.785 11.685 2.412 1.00 0.00 H new ATOM 0 HA LYS A 102 7.446 13.618 3.814 1.00 0.00 H new ATOM 0 HB2 LYS A 102 6.695 12.347 1.180 1.00 0.00 H new ATOM 0 HB3 LYS A 102 6.040 13.851 1.797 1.00 0.00 H new ATOM 0 HG2 LYS A 102 8.159 14.962 1.688 1.00 0.00 H new ATOM 0 HG3 LYS A 102 9.045 13.454 1.576 1.00 0.00 H new ATOM 0 HD2 LYS A 102 7.269 13.409 -0.634 1.00 0.00 H new ATOM 0 HD3 LYS A 102 7.851 15.061 -0.565 1.00 0.00 H new ATOM 0 HE2 LYS A 102 10.143 13.442 -0.094 1.00 0.00 H new ATOM 0 HE3 LYS A 102 9.273 12.642 -1.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 10.794 14.298 -2.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 9.192 14.742 -2.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 10.035 15.517 -1.342 1.00 0.00 H new ATOM 1505 N ILE A 103 5.607 10.914 3.522 1.00 0.00 N ATOM 1506 CA ILE A 103 4.456 10.225 4.080 1.00 0.00 C ATOM 1507 C ILE A 103 4.692 9.971 5.571 1.00 0.00 C ATOM 1508 O ILE A 103 3.780 10.122 6.382 1.00 0.00 O ATOM 1509 CB ILE A 103 4.151 8.956 3.281 1.00 0.00 C ATOM 1510 CG1 ILE A 103 4.258 9.217 1.777 1.00 0.00 C ATOM 1511 CG2 ILE A 103 2.788 8.379 3.668 1.00 0.00 C ATOM 1512 CD1 ILE A 103 2.903 9.034 1.092 1.00 0.00 C ATOM 0 H ILE A 103 6.117 10.387 2.813 1.00 0.00 H new ATOM 0 HA ILE A 103 3.564 10.847 3.999 1.00 0.00 H new ATOM 0 HB ILE A 103 4.901 8.205 3.531 1.00 0.00 H new ATOM 0 HG12 ILE A 103 4.623 10.230 1.605 1.00 0.00 H new ATOM 0 HG13 ILE A 103 4.987 8.536 1.337 1.00 0.00 H new ATOM 0 HG21 ILE A 103 2.596 7.478 3.086 1.00 0.00 H new ATOM 0 HG22 ILE A 103 2.785 8.132 4.730 1.00 0.00 H new ATOM 0 HG23 ILE A 103 2.010 9.115 3.465 1.00 0.00 H new ATOM 0 HD11 ILE A 103 3.006 9.225 0.024 1.00 0.00 H new ATOM 0 HD12 ILE A 103 2.553 8.013 1.246 1.00 0.00 H new ATOM 0 HD13 ILE A 103 2.183 9.733 1.518 1.00 0.00 H new ATOM 1524 N HIS A 104 5.921 9.589 5.885 1.00 0.00 N ATOM 1525 CA HIS A 104 6.289 9.313 7.264 1.00 0.00 C ATOM 1526 C HIS A 104 6.067 10.564 8.115 1.00 0.00 C ATOM 1527 O HIS A 104 5.836 11.649 7.582 1.00 0.00 O ATOM 1528 CB HIS A 104 7.723 8.785 7.348 1.00 0.00 C ATOM 1529 CG HIS A 104 7.949 7.497 6.593 1.00 0.00 C ATOM 1530 ND1 HIS A 104 9.116 6.762 6.698 1.00 0.00 N ATOM 1531 CD2 HIS A 104 7.146 6.823 5.721 1.00 0.00 C ATOM 1532 CE1 HIS A 104 9.010 5.695 5.920 1.00 0.00 C ATOM 1533 NE2 HIS A 104 7.788 5.734 5.315 1.00 0.00 N ATOM 0 H HIS A 104 6.674 9.464 5.209 1.00 0.00 H new ATOM 0 HA HIS A 104 5.650 8.526 7.664 1.00 0.00 H new ATOM 0 HB2 HIS A 104 8.402 9.545 6.961 1.00 0.00 H new ATOM 0 HB3 HIS A 104 7.981 8.630 8.396 1.00 0.00 H new ATOM 0 HD1 HIS A 104 9.922 7.001 7.276 1.00 0.00 H new ATOM 0 HD2 HIS A 104 6.156 7.124 5.413 1.00 0.00 H new ATOM 0 HE1 HIS A 104 9.760 4.929 5.788 1.00 0.00 H new