USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 493 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 129 TYR OH : rot 150:sc= 0.0159 USER MOD Set 1.2: A 133 LYS NZ :NH3+ -116:sc= 0.248 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.38 USER MOD Single : A 65 GLN : amide:sc= -0.645 K(o=-0.64,f=0) USER MOD Single : A 66 MET CE :methyl 133:sc= -0.66 (180deg=-1.89!) USER MOD Single : A 68 LYS NZ :NH3+ 155:sc= -0.218 (180deg=-1.46!) USER MOD Single : A 70 MET CE :methyl 157:sc= -0.563 (180deg=-1.14) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot -152:sc= 0.802 USER MOD Single : A 95 SER OG : rot 180:sc=-0.00757 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 TYR OH : rot 180:sc=-0.00519 USER MOD Single : A 105 THR OG1 : rot 89:sc= 0.391 USER MOD Single : A 107 ASN : amide:sc= 0.162 X(o=0.16,f=-0.28) USER MOD Single : A 108 THR OG1 : rot -70:sc= 0.983 USER MOD Single : A 109 SER OG : rot 180:sc= -0.546! USER MOD Single : A 110 CYS SG : rot -50:sc= -0.314 USER MOD Single : A 118 CYS SG : rot -160:sc= -0.0615 USER MOD Single : A 123 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 HIS : no HE2:sc= -1.59 K(o=-1.6,f=-2.9!) USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD Single : A 135 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 78 N THR A 62 -11.986 -1.838 -5.341 1.00 0.00 N ATOM 79 CA THR A 62 -12.349 -2.773 -4.277 1.00 0.00 C ATOM 80 C THR A 62 -11.141 -3.042 -3.378 1.00 0.00 C ATOM 81 O THR A 62 -10.003 -3.021 -3.844 1.00 0.00 O ATOM 82 CB THR A 62 -12.835 -4.090 -4.889 1.00 0.00 C ATOM 83 OG1 THR A 62 -11.718 -4.932 -5.143 1.00 0.00 O ATOM 84 CG2 THR A 62 -13.569 -3.805 -6.202 1.00 0.00 C ATOM 0 HA THR A 62 -13.148 -2.334 -3.679 1.00 0.00 H new ATOM 0 HB THR A 62 -13.515 -4.585 -4.195 1.00 0.00 H new ATOM 0 HG1 THR A 62 -12.027 -5.776 -5.533 1.00 0.00 H new ATOM 0 HG21 THR A 62 -13.914 -4.743 -6.637 1.00 0.00 H new ATOM 0 HG22 THR A 62 -14.425 -3.158 -6.008 1.00 0.00 H new ATOM 0 HG23 THR A 62 -12.891 -3.311 -6.898 1.00 0.00 H new ATOM 92 N PRO A 63 -11.362 -3.288 -2.109 1.00 0.00 N ATOM 93 CA PRO A 63 -10.255 -3.558 -1.141 1.00 0.00 C ATOM 94 C PRO A 63 -9.463 -4.810 -1.514 1.00 0.00 C ATOM 95 O PRO A 63 -8.244 -4.857 -1.348 1.00 0.00 O ATOM 96 CB PRO A 63 -10.970 -3.733 0.209 1.00 0.00 C ATOM 97 CG PRO A 63 -12.397 -4.025 -0.124 1.00 0.00 C ATOM 98 CD PRO A 63 -12.681 -3.340 -1.459 1.00 0.00 C ATOM 0 HA PRO A 63 -9.520 -2.753 -1.126 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -10.528 -4.547 0.784 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -10.886 -2.832 0.816 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -12.566 -5.099 -0.196 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -13.061 -3.649 0.654 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -13.399 -3.904 -2.054 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -13.098 -2.343 -1.317 1.00 0.00 H new ATOM 106 N GLU A 64 -10.164 -5.819 -2.018 1.00 0.00 N ATOM 107 CA GLU A 64 -9.512 -7.063 -2.411 1.00 0.00 C ATOM 108 C GLU A 64 -8.643 -6.840 -3.645 1.00 0.00 C ATOM 109 O GLU A 64 -7.538 -7.376 -3.745 1.00 0.00 O ATOM 110 CB GLU A 64 -10.564 -8.132 -2.711 1.00 0.00 C ATOM 111 CG GLU A 64 -9.872 -9.471 -2.972 1.00 0.00 C ATOM 112 CD GLU A 64 -10.913 -10.558 -3.212 1.00 0.00 C ATOM 113 OE1 GLU A 64 -11.831 -10.312 -3.978 1.00 0.00 O ATOM 114 OE2 GLU A 64 -10.779 -11.620 -2.628 1.00 0.00 O ATOM 0 H GLU A 64 -11.173 -5.802 -2.163 1.00 0.00 H new ATOM 0 HA GLU A 64 -8.880 -7.399 -1.589 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -11.253 -8.224 -1.872 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -11.156 -7.841 -3.579 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -9.215 -9.388 -3.838 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -9.245 -9.738 -2.121 1.00 0.00 H new ATOM 121 N GLN A 65 -9.147 -6.042 -4.581 1.00 0.00 N ATOM 122 CA GLN A 65 -8.409 -5.753 -5.803 1.00 0.00 C ATOM 123 C GLN A 65 -7.104 -5.031 -5.485 1.00 0.00 C ATOM 124 O GLN A 65 -6.029 -5.464 -5.901 1.00 0.00 O ATOM 125 CB GLN A 65 -9.259 -4.885 -6.735 1.00 0.00 C ATOM 126 CG GLN A 65 -8.447 -4.527 -7.979 1.00 0.00 C ATOM 127 CD GLN A 65 -9.362 -3.938 -9.048 1.00 0.00 C ATOM 128 OE1 GLN A 65 -9.047 -3.995 -10.238 1.00 0.00 O ATOM 129 NE2 GLN A 65 -10.483 -3.373 -8.694 1.00 0.00 N ATOM 0 H GLN A 65 -10.058 -5.587 -4.517 1.00 0.00 H new ATOM 0 HA GLN A 65 -8.178 -6.698 -6.295 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -10.165 -5.419 -7.021 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -9.573 -3.978 -6.219 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -7.668 -3.810 -7.721 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -7.948 -5.415 -8.365 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -10.742 -3.327 -7.708 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -11.101 -2.977 -9.403 1.00 0.00 H new ATOM 138 N MET A 66 -7.203 -3.931 -4.745 1.00 0.00 N ATOM 139 CA MET A 66 -6.019 -3.164 -4.380 1.00 0.00 C ATOM 140 C MET A 66 -5.058 -4.021 -3.560 1.00 0.00 C ATOM 141 O MET A 66 -3.839 -3.902 -3.694 1.00 0.00 O ATOM 142 CB MET A 66 -6.420 -1.925 -3.572 1.00 0.00 C ATOM 143 CG MET A 66 -7.184 -2.351 -2.322 1.00 0.00 C ATOM 144 SD MET A 66 -7.671 -0.883 -1.378 1.00 0.00 S ATOM 145 CE MET A 66 -8.774 -0.159 -2.615 1.00 0.00 C ATOM 0 H MET A 66 -8.082 -3.554 -4.390 1.00 0.00 H new ATOM 0 HA MET A 66 -5.519 -2.850 -5.296 1.00 0.00 H new ATOM 0 HB2 MET A 66 -5.532 -1.359 -3.292 1.00 0.00 H new ATOM 0 HB3 MET A 66 -7.039 -1.266 -4.181 1.00 0.00 H new ATOM 0 HG2 MET A 66 -8.067 -2.926 -2.601 1.00 0.00 H new ATOM 0 HG3 MET A 66 -6.562 -3.001 -1.707 1.00 0.00 H new ATOM 0 HE1 MET A 66 -9.707 0.142 -2.139 1.00 0.00 H new ATOM 0 HE2 MET A 66 -8.297 0.713 -3.062 1.00 0.00 H new ATOM 0 HE3 MET A 66 -8.984 -0.895 -3.391 1.00 0.00 H new ATOM 155 N ALA A 67 -5.614 -4.885 -2.718 1.00 0.00 N ATOM 156 CA ALA A 67 -4.794 -5.756 -1.885 1.00 0.00 C ATOM 157 C ALA A 67 -3.980 -6.707 -2.754 1.00 0.00 C ATOM 158 O ALA A 67 -2.824 -7.005 -2.452 1.00 0.00 O ATOM 159 CB ALA A 67 -5.683 -6.559 -0.936 1.00 0.00 C ATOM 0 H ALA A 67 -6.620 -5.001 -2.595 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.111 -5.138 -1.302 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -5.062 -7.207 -0.317 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -6.244 -5.876 -0.298 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.378 -7.167 -1.515 1.00 0.00 H new ATOM 165 N LYS A 68 -4.589 -7.175 -3.836 1.00 0.00 N ATOM 166 CA LYS A 68 -3.911 -8.089 -4.747 1.00 0.00 C ATOM 167 C LYS A 68 -2.865 -7.341 -5.568 1.00 0.00 C ATOM 168 O LYS A 68 -1.746 -7.823 -5.751 1.00 0.00 O ATOM 169 CB LYS A 68 -4.932 -8.742 -5.683 1.00 0.00 C ATOM 170 CG LYS A 68 -5.685 -9.843 -4.930 1.00 0.00 C ATOM 171 CD LYS A 68 -6.889 -10.309 -5.757 1.00 0.00 C ATOM 172 CE LYS A 68 -6.423 -11.242 -6.877 1.00 0.00 C ATOM 173 NZ LYS A 68 -5.647 -12.374 -6.295 1.00 0.00 N ATOM 0 H LYS A 68 -5.545 -6.939 -4.103 1.00 0.00 H new ATOM 0 HA LYS A 68 -3.412 -8.861 -4.161 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -5.634 -7.994 -6.052 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -4.427 -9.162 -6.553 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -5.019 -10.684 -4.735 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -6.020 -9.470 -3.962 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -7.604 -10.825 -5.116 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -7.405 -9.448 -6.181 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -7.283 -11.623 -7.428 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -5.806 -10.693 -7.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -5.693 -13.192 -6.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -4.655 -12.087 -6.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -6.051 -12.634 -5.372 1.00 0.00 H new ATOM 187 N GLU A 69 -3.237 -6.162 -6.059 1.00 0.00 N ATOM 188 CA GLU A 69 -2.326 -5.353 -6.861 1.00 0.00 C ATOM 189 C GLU A 69 -1.137 -4.891 -6.023 1.00 0.00 C ATOM 190 O GLU A 69 -0.015 -4.792 -6.519 1.00 0.00 O ATOM 191 CB GLU A 69 -3.062 -4.133 -7.419 1.00 0.00 C ATOM 192 CG GLU A 69 -4.197 -4.593 -8.336 1.00 0.00 C ATOM 193 CD GLU A 69 -3.634 -5.045 -9.679 1.00 0.00 C ATOM 194 OE1 GLU A 69 -3.234 -6.194 -9.777 1.00 0.00 O ATOM 195 OE2 GLU A 69 -3.609 -4.236 -10.592 1.00 0.00 O ATOM 0 H GLU A 69 -4.158 -5.748 -5.916 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.960 -5.965 -7.685 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.462 -3.532 -6.602 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.369 -3.499 -7.972 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.744 -5.411 -7.868 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -4.907 -3.779 -8.486 1.00 0.00 H new ATOM 202 N MET A 70 -1.393 -4.612 -4.750 1.00 0.00 N ATOM 203 CA MET A 70 -0.333 -4.166 -3.854 1.00 0.00 C ATOM 204 C MET A 70 0.604 -5.323 -3.524 1.00 0.00 C ATOM 205 O MET A 70 1.805 -5.261 -3.792 1.00 0.00 O ATOM 206 CB MET A 70 -0.942 -3.613 -2.560 1.00 0.00 C ATOM 207 CG MET A 70 -1.406 -2.168 -2.774 1.00 0.00 C ATOM 208 SD MET A 70 -1.774 -1.409 -1.172 1.00 0.00 S ATOM 209 CE MET A 70 -3.476 -2.002 -1.014 1.00 0.00 C ATOM 0 H MET A 70 -2.314 -4.686 -4.319 1.00 0.00 H new ATOM 0 HA MET A 70 0.236 -3.380 -4.351 1.00 0.00 H new ATOM 0 HB2 MET A 70 -1.784 -4.232 -2.251 1.00 0.00 H new ATOM 0 HB3 MET A 70 -0.206 -3.652 -1.757 1.00 0.00 H new ATOM 0 HG2 MET A 70 -0.632 -1.599 -3.289 1.00 0.00 H new ATOM 0 HG3 MET A 70 -2.292 -2.149 -3.409 1.00 0.00 H new ATOM 0 HE1 MET A 70 -3.762 -2.010 0.038 1.00 0.00 H new ATOM 0 HE2 MET A 70 -4.144 -1.342 -1.567 1.00 0.00 H new ATOM 0 HE3 MET A 70 -3.548 -3.012 -1.418 1.00 0.00 H new ATOM 219 N SER A 71 0.046 -6.374 -2.936 1.00 0.00 N ATOM 220 CA SER A 71 0.836 -7.540 -2.563 1.00 0.00 C ATOM 221 C SER A 71 1.752 -7.973 -3.708 1.00 0.00 C ATOM 222 O SER A 71 2.956 -8.140 -3.517 1.00 0.00 O ATOM 223 CB SER A 71 -0.089 -8.695 -2.181 1.00 0.00 C ATOM 224 OG SER A 71 0.637 -9.915 -2.232 1.00 0.00 O ATOM 0 H SER A 71 -0.946 -6.443 -2.708 1.00 0.00 H new ATOM 0 HA SER A 71 1.457 -7.270 -1.709 1.00 0.00 H new ATOM 0 HB2 SER A 71 -0.490 -8.539 -1.180 1.00 0.00 H new ATOM 0 HB3 SER A 71 -0.939 -8.736 -2.862 1.00 0.00 H new ATOM 0 HG SER A 71 0.047 -10.658 -1.986 1.00 0.00 H new ATOM 230 N GLU A 72 1.178 -8.157 -4.894 1.00 0.00 N ATOM 231 CA GLU A 72 1.972 -8.574 -6.045 1.00 0.00 C ATOM 232 C GLU A 72 3.002 -7.508 -6.405 1.00 0.00 C ATOM 233 O GLU A 72 4.152 -7.827 -6.707 1.00 0.00 O ATOM 234 CB GLU A 72 1.064 -8.859 -7.246 1.00 0.00 C ATOM 235 CG GLU A 72 0.476 -7.551 -7.774 1.00 0.00 C ATOM 236 CD GLU A 72 -0.594 -7.846 -8.820 1.00 0.00 C ATOM 237 OE1 GLU A 72 -1.484 -8.628 -8.525 1.00 0.00 O ATOM 238 OE2 GLU A 72 -0.508 -7.287 -9.900 1.00 0.00 O ATOM 0 H GLU A 72 0.184 -8.027 -5.082 1.00 0.00 H new ATOM 0 HA GLU A 72 2.501 -9.490 -5.780 1.00 0.00 H new ATOM 0 HB2 GLU A 72 1.632 -9.357 -8.032 1.00 0.00 H new ATOM 0 HB3 GLU A 72 0.262 -9.537 -6.954 1.00 0.00 H new ATOM 0 HG2 GLU A 72 0.045 -6.978 -6.953 1.00 0.00 H new ATOM 0 HG3 GLU A 72 1.264 -6.938 -8.211 1.00 0.00 H new ATOM 245 N PHE A 73 2.594 -6.240 -6.364 1.00 0.00 N ATOM 246 CA PHE A 73 3.515 -5.154 -6.685 1.00 0.00 C ATOM 247 C PHE A 73 4.828 -5.350 -5.932 1.00 0.00 C ATOM 248 O PHE A 73 5.908 -5.273 -6.518 1.00 0.00 O ATOM 249 CB PHE A 73 2.895 -3.797 -6.311 1.00 0.00 C ATOM 250 CG PHE A 73 2.529 -3.033 -7.565 1.00 0.00 C ATOM 251 CD1 PHE A 73 1.731 -3.636 -8.543 1.00 0.00 C ATOM 252 CD2 PHE A 73 2.990 -1.723 -7.747 1.00 0.00 C ATOM 253 CE1 PHE A 73 1.391 -2.931 -9.703 1.00 0.00 C ATOM 254 CE2 PHE A 73 2.650 -1.018 -8.907 1.00 0.00 C ATOM 255 CZ PHE A 73 1.851 -1.620 -9.885 1.00 0.00 C ATOM 0 H PHE A 73 1.650 -5.944 -6.116 1.00 0.00 H new ATOM 0 HA PHE A 73 3.710 -5.165 -7.757 1.00 0.00 H new ATOM 0 HB2 PHE A 73 2.008 -3.950 -5.696 1.00 0.00 H new ATOM 0 HB3 PHE A 73 3.600 -3.218 -5.715 1.00 0.00 H new ATOM 0 HD1 PHE A 73 1.377 -4.647 -8.403 1.00 0.00 H new ATOM 0 HD2 PHE A 73 3.607 -1.257 -6.993 1.00 0.00 H new ATOM 0 HE1 PHE A 73 0.775 -3.397 -10.457 1.00 0.00 H new ATOM 0 HE2 PHE A 73 3.005 -0.008 -9.047 1.00 0.00 H new ATOM 0 HZ PHE A 73 1.589 -1.075 -10.780 1.00 0.00 H new ATOM 265 N LEU A 74 4.725 -5.610 -4.632 1.00 0.00 N ATOM 266 CA LEU A 74 5.914 -5.823 -3.812 1.00 0.00 C ATOM 267 C LEU A 74 6.650 -7.078 -4.267 1.00 0.00 C ATOM 268 O LEU A 74 7.861 -7.055 -4.486 1.00 0.00 O ATOM 269 CB LEU A 74 5.523 -5.967 -2.339 1.00 0.00 C ATOM 270 CG LEU A 74 4.579 -4.830 -1.938 1.00 0.00 C ATOM 271 CD1 LEU A 74 4.309 -4.900 -0.434 1.00 0.00 C ATOM 272 CD2 LEU A 74 5.222 -3.482 -2.279 1.00 0.00 C ATOM 0 H LEU A 74 3.841 -5.678 -4.128 1.00 0.00 H new ATOM 0 HA LEU A 74 6.570 -4.960 -3.926 1.00 0.00 H new ATOM 0 HB2 LEU A 74 5.038 -6.929 -2.175 1.00 0.00 H new ATOM 0 HB3 LEU A 74 6.415 -5.949 -1.713 1.00 0.00 H new ATOM 0 HG LEU A 74 3.640 -4.930 -2.483 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.637 -4.091 -0.147 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.849 -5.858 -0.191 1.00 0.00 H new ATOM 0 HD13 LEU A 74 5.249 -4.801 0.109 1.00 0.00 H new ATOM 0 HD21 LEU A 74 4.548 -2.675 -1.993 1.00 0.00 H new ATOM 0 HD22 LEU A 74 6.162 -3.380 -1.737 1.00 0.00 H new ATOM 0 HD23 LEU A 74 5.414 -3.431 -3.351 1.00 0.00 H new ATOM 284 N SER A 75 5.909 -8.172 -4.411 1.00 0.00 N ATOM 285 CA SER A 75 6.503 -9.432 -4.843 1.00 0.00 C ATOM 286 C SER A 75 7.310 -9.230 -6.121 1.00 0.00 C ATOM 287 O SER A 75 8.359 -9.845 -6.309 1.00 0.00 O ATOM 288 CB SER A 75 5.408 -10.471 -5.087 1.00 0.00 C ATOM 289 OG SER A 75 6.007 -11.721 -5.395 1.00 0.00 O ATOM 0 H SER A 75 4.905 -8.212 -4.237 1.00 0.00 H new ATOM 0 HA SER A 75 7.169 -9.787 -4.057 1.00 0.00 H new ATOM 0 HB2 SER A 75 4.777 -10.565 -4.203 1.00 0.00 H new ATOM 0 HB3 SER A 75 4.764 -10.152 -5.906 1.00 0.00 H new ATOM 0 HG SER A 75 5.307 -12.390 -5.550 1.00 0.00 H new ATOM 295 N ARG A 76 6.812 -8.362 -6.997 1.00 0.00 N ATOM 296 CA ARG A 76 7.493 -8.083 -8.255 1.00 0.00 C ATOM 297 C ARG A 76 8.749 -7.252 -8.009 1.00 0.00 C ATOM 298 O ARG A 76 9.792 -7.488 -8.619 1.00 0.00 O ATOM 299 CB ARG A 76 6.556 -7.324 -9.200 1.00 0.00 C ATOM 300 CG ARG A 76 5.406 -8.241 -9.643 1.00 0.00 C ATOM 301 CD ARG A 76 5.709 -8.827 -11.025 1.00 0.00 C ATOM 302 NE ARG A 76 7.124 -9.163 -11.135 1.00 0.00 N ATOM 303 CZ ARG A 76 7.566 -9.973 -12.093 1.00 0.00 C ATOM 304 NH1 ARG A 76 6.729 -10.481 -12.955 1.00 0.00 N ATOM 305 NH2 ARG A 76 8.836 -10.259 -12.171 1.00 0.00 N ATOM 0 H ARG A 76 5.945 -7.843 -6.859 1.00 0.00 H new ATOM 0 HA ARG A 76 7.779 -9.031 -8.710 1.00 0.00 H new ATOM 0 HB2 ARG A 76 6.157 -6.442 -8.700 1.00 0.00 H new ATOM 0 HB3 ARG A 76 7.110 -6.973 -10.071 1.00 0.00 H new ATOM 0 HG2 ARG A 76 5.271 -9.045 -8.919 1.00 0.00 H new ATOM 0 HG3 ARG A 76 4.472 -7.679 -9.673 1.00 0.00 H new ATOM 0 HD2 ARG A 76 5.103 -9.718 -11.190 1.00 0.00 H new ATOM 0 HD3 ARG A 76 5.438 -8.109 -11.799 1.00 0.00 H new ATOM 0 HE ARG A 76 7.786 -8.770 -10.466 1.00 0.00 H new ATOM 0 HH11 ARG A 76 5.736 -10.257 -12.894 1.00 0.00 H new ATOM 0 HH12 ARG A 76 7.068 -11.102 -13.690 1.00 0.00 H new ATOM 0 HH21 ARG A 76 9.491 -9.862 -11.497 1.00 0.00 H new ATOM 0 HH22 ARG A 76 9.175 -10.880 -12.906 1.00 0.00 H new ATOM 526 N TYR A 92 9.847 8.944 5.407 1.00 0.00 N ATOM 527 CA TYR A 92 8.814 9.468 4.516 1.00 0.00 C ATOM 528 C TYR A 92 7.430 9.042 5.002 1.00 0.00 C ATOM 529 O TYR A 92 7.078 7.864 4.945 1.00 0.00 O ATOM 530 CB TYR A 92 9.040 8.943 3.093 1.00 0.00 C ATOM 531 CG TYR A 92 9.943 9.887 2.334 1.00 0.00 C ATOM 532 CD1 TYR A 92 9.427 11.081 1.813 1.00 0.00 C ATOM 533 CD2 TYR A 92 11.293 9.570 2.148 1.00 0.00 C ATOM 534 CE1 TYR A 92 10.261 11.955 1.107 1.00 0.00 C ATOM 535 CE2 TYR A 92 12.128 10.444 1.443 1.00 0.00 C ATOM 536 CZ TYR A 92 11.612 11.636 0.921 1.00 0.00 C ATOM 537 OH TYR A 92 12.434 12.499 0.225 1.00 0.00 O ATOM 0 HA TYR A 92 8.872 10.556 4.516 1.00 0.00 H new ATOM 0 HB2 TYR A 92 9.486 7.949 3.129 1.00 0.00 H new ATOM 0 HB3 TYR A 92 8.085 8.845 2.576 1.00 0.00 H new ATOM 0 HD1 TYR A 92 8.385 11.327 1.956 1.00 0.00 H new ATOM 0 HD2 TYR A 92 11.691 8.650 2.549 1.00 0.00 H new ATOM 0 HE1 TYR A 92 9.863 12.875 0.706 1.00 0.00 H new ATOM 0 HE2 TYR A 92 13.170 10.199 1.302 1.00 0.00 H new ATOM 0 HH TYR A 92 13.159 11.992 -0.197 1.00 0.00 H new ATOM 547 N ASP A 93 6.649 10.010 5.475 1.00 0.00 N ATOM 548 CA ASP A 93 5.304 9.725 5.964 1.00 0.00 C ATOM 549 C ASP A 93 4.272 10.003 4.876 1.00 0.00 C ATOM 550 O ASP A 93 3.833 11.141 4.703 1.00 0.00 O ATOM 551 CB ASP A 93 5.000 10.589 7.189 1.00 0.00 C ATOM 552 CG ASP A 93 6.181 10.560 8.154 1.00 0.00 C ATOM 553 OD1 ASP A 93 6.516 9.483 8.619 1.00 0.00 O ATOM 554 OD2 ASP A 93 6.733 11.616 8.414 1.00 0.00 O ATOM 0 H ASP A 93 6.922 10.991 5.530 1.00 0.00 H new ATOM 0 HA ASP A 93 5.252 8.672 6.241 1.00 0.00 H new ATOM 0 HB2 ASP A 93 4.798 11.614 6.880 1.00 0.00 H new ATOM 0 HB3 ASP A 93 4.103 10.224 7.688 1.00 0.00 H new ATOM 559 N LEU A 94 3.888 8.959 4.145 1.00 0.00 N ATOM 560 CA LEU A 94 2.907 9.108 3.075 1.00 0.00 C ATOM 561 C LEU A 94 1.516 8.710 3.563 1.00 0.00 C ATOM 562 O LEU A 94 0.686 8.240 2.783 1.00 0.00 O ATOM 563 CB LEU A 94 3.294 8.232 1.880 1.00 0.00 C ATOM 564 CG LEU A 94 4.800 8.326 1.628 1.00 0.00 C ATOM 565 CD1 LEU A 94 5.176 7.439 0.439 1.00 0.00 C ATOM 566 CD2 LEU A 94 5.178 9.776 1.319 1.00 0.00 C ATOM 0 H LEU A 94 4.238 8.009 4.273 1.00 0.00 H new ATOM 0 HA LEU A 94 2.891 10.154 2.770 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.013 7.196 2.072 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.748 8.551 0.992 1.00 0.00 H new ATOM 0 HG LEU A 94 5.336 7.992 2.516 1.00 0.00 H new ATOM 0 HD11 LEU A 94 6.249 7.506 0.260 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.909 6.405 0.657 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.638 7.773 -0.448 1.00 0.00 H new ATOM 0 HD21 LEU A 94 6.251 9.842 1.140 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.641 10.111 0.432 1.00 0.00 H new ATOM 0 HD23 LEU A 94 4.912 10.410 2.165 1.00 0.00 H new ATOM 578 N SER A 95 1.268 8.897 4.855 1.00 0.00 N ATOM 579 CA SER A 95 -0.025 8.550 5.434 1.00 0.00 C ATOM 580 C SER A 95 -1.135 9.411 4.840 1.00 0.00 C ATOM 581 O SER A 95 -2.316 9.077 4.943 1.00 0.00 O ATOM 582 CB SER A 95 0.015 8.741 6.950 1.00 0.00 C ATOM 583 OG SER A 95 -1.311 8.703 7.463 1.00 0.00 O ATOM 0 H SER A 95 1.940 9.284 5.517 1.00 0.00 H new ATOM 0 HA SER A 95 -0.233 7.505 5.203 1.00 0.00 H new ATOM 0 HB2 SER A 95 0.618 7.959 7.411 1.00 0.00 H new ATOM 0 HB3 SER A 95 0.485 9.693 7.196 1.00 0.00 H new ATOM 0 HG SER A 95 -1.289 8.824 8.435 1.00 0.00 H new ATOM 589 N LYS A 96 -0.752 10.525 4.222 1.00 0.00 N ATOM 590 CA LYS A 96 -1.725 11.429 3.617 1.00 0.00 C ATOM 591 C LYS A 96 -1.993 11.044 2.165 1.00 0.00 C ATOM 592 O LYS A 96 -2.971 11.490 1.565 1.00 0.00 O ATOM 593 CB LYS A 96 -1.204 12.866 3.679 1.00 0.00 C ATOM 594 CG LYS A 96 -0.514 13.100 5.024 1.00 0.00 C ATOM 595 CD LYS A 96 -0.145 14.579 5.160 1.00 0.00 C ATOM 596 CE LYS A 96 0.878 14.960 4.085 1.00 0.00 C ATOM 597 NZ LYS A 96 1.630 16.168 4.523 1.00 0.00 N ATOM 0 H LYS A 96 0.219 10.822 4.127 1.00 0.00 H new ATOM 0 HA LYS A 96 -2.659 11.353 4.174 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -0.504 13.046 2.863 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -2.028 13.569 3.554 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -1.174 12.803 5.839 1.00 0.00 H new ATOM 0 HG3 LYS A 96 0.382 12.483 5.097 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -1.038 15.197 5.061 1.00 0.00 H new ATOM 0 HD3 LYS A 96 0.267 14.771 6.151 1.00 0.00 H new ATOM 0 HE2 LYS A 96 1.566 14.132 3.913 1.00 0.00 H new ATOM 0 HE3 LYS A 96 0.372 15.156 3.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 2.325 16.428 3.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 0.967 16.957 4.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 2.124 15.965 5.415 1.00 0.00 H new ATOM 611 N TRP A 97 -1.117 10.217 1.609 1.00 0.00 N ATOM 612 CA TRP A 97 -1.263 9.780 0.225 1.00 0.00 C ATOM 613 C TRP A 97 -2.337 8.703 0.111 1.00 0.00 C ATOM 614 O TRP A 97 -2.724 8.092 1.107 1.00 0.00 O ATOM 615 CB TRP A 97 0.067 9.225 -0.292 1.00 0.00 C ATOM 616 CG TRP A 97 1.097 10.310 -0.309 1.00 0.00 C ATOM 617 CD1 TRP A 97 1.459 11.059 0.760 1.00 0.00 C ATOM 618 CD2 TRP A 97 1.905 10.779 -1.427 1.00 0.00 C ATOM 619 NE1 TRP A 97 2.440 11.952 0.369 1.00 0.00 N ATOM 620 CE2 TRP A 97 2.748 11.819 -0.970 1.00 0.00 C ATOM 621 CE3 TRP A 97 1.989 10.404 -2.780 1.00 0.00 C ATOM 622 CZ2 TRP A 97 3.641 12.467 -1.824 1.00 0.00 C ATOM 623 CZ3 TRP A 97 2.889 11.054 -3.643 1.00 0.00 C ATOM 624 CH2 TRP A 97 3.711 12.083 -3.166 1.00 0.00 C ATOM 0 H TRP A 97 -0.302 9.837 2.091 1.00 0.00 H new ATOM 0 HA TRP A 97 -1.559 10.640 -0.375 1.00 0.00 H new ATOM 0 HB2 TRP A 97 0.401 8.404 0.343 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -0.063 8.819 -1.295 1.00 0.00 H new ATOM 0 HD1 TRP A 97 1.049 10.973 1.755 1.00 0.00 H new ATOM 0 HE1 TRP A 97 2.882 12.626 0.994 1.00 0.00 H new ATOM 0 HE3 TRP A 97 1.359 9.613 -3.158 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 4.273 13.259 -1.451 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 2.947 10.758 -4.680 1.00 0.00 H new ATOM 0 HH2 TRP A 97 4.398 12.579 -3.835 1.00 0.00 H new ATOM 635 N LYS A 98 -2.809 8.473 -1.111 1.00 0.00 N ATOM 636 CA LYS A 98 -3.837 7.461 -1.355 1.00 0.00 C ATOM 637 C LYS A 98 -3.269 6.332 -2.210 1.00 0.00 C ATOM 638 O LYS A 98 -2.224 6.484 -2.841 1.00 0.00 O ATOM 639 CB LYS A 98 -5.048 8.088 -2.063 1.00 0.00 C ATOM 640 CG LYS A 98 -5.150 9.583 -1.722 1.00 0.00 C ATOM 641 CD LYS A 98 -5.460 9.771 -0.230 1.00 0.00 C ATOM 642 CE LYS A 98 -6.962 9.601 0.018 1.00 0.00 C ATOM 643 NZ LYS A 98 -7.275 9.966 1.429 1.00 0.00 N ATOM 0 H LYS A 98 -2.499 8.970 -1.946 1.00 0.00 H new ATOM 0 HA LYS A 98 -4.159 7.057 -0.395 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -4.954 7.960 -3.141 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -5.961 7.576 -1.759 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -4.215 10.084 -1.972 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -5.931 10.047 -2.324 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -4.901 9.045 0.360 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -5.139 10.761 0.095 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -7.529 10.232 -0.667 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -7.260 8.571 -0.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -8.295 9.851 1.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -6.744 9.346 2.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -7.005 10.956 1.600 1.00 0.00 H new ATOM 657 N TYR A 99 -3.963 5.199 -2.226 1.00 0.00 N ATOM 658 CA TYR A 99 -3.516 4.051 -3.005 1.00 0.00 C ATOM 659 C TYR A 99 -3.187 4.465 -4.439 1.00 0.00 C ATOM 660 O TYR A 99 -2.178 4.037 -4.999 1.00 0.00 O ATOM 661 CB TYR A 99 -4.608 2.975 -3.018 1.00 0.00 C ATOM 662 CG TYR A 99 -4.270 1.917 -4.044 1.00 0.00 C ATOM 663 CD1 TYR A 99 -3.077 1.192 -3.936 1.00 0.00 C ATOM 664 CD2 TYR A 99 -5.151 1.662 -5.103 1.00 0.00 C ATOM 665 CE1 TYR A 99 -2.765 0.214 -4.887 1.00 0.00 C ATOM 666 CE2 TYR A 99 -4.836 0.683 -6.054 1.00 0.00 C ATOM 667 CZ TYR A 99 -3.643 -0.041 -5.946 1.00 0.00 C ATOM 668 OH TYR A 99 -3.335 -1.005 -6.882 1.00 0.00 O ATOM 0 H TYR A 99 -4.832 5.052 -1.712 1.00 0.00 H new ATOM 0 HA TYR A 99 -2.614 3.651 -2.542 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -4.697 2.522 -2.031 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -5.573 3.425 -3.251 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -2.398 1.387 -3.119 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -6.072 2.220 -5.186 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -1.845 -0.345 -4.803 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -5.514 0.487 -6.871 1.00 0.00 H new ATOM 0 HH TYR A 99 -4.052 -1.055 -7.548 1.00 0.00 H new ATOM 678 N ALA A 100 -4.045 5.292 -5.025 1.00 0.00 N ATOM 679 CA ALA A 100 -3.838 5.749 -6.396 1.00 0.00 C ATOM 680 C ALA A 100 -2.601 6.636 -6.496 1.00 0.00 C ATOM 681 O ALA A 100 -1.843 6.554 -7.465 1.00 0.00 O ATOM 682 CB ALA A 100 -5.064 6.530 -6.875 1.00 0.00 C ATOM 0 H ALA A 100 -4.885 5.658 -4.577 1.00 0.00 H new ATOM 0 HA ALA A 100 -3.690 4.873 -7.027 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -4.903 6.868 -7.899 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -5.942 5.886 -6.840 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -5.221 7.393 -6.228 1.00 0.00 H new ATOM 688 N GLU A 101 -2.402 7.486 -5.496 1.00 0.00 N ATOM 689 CA GLU A 101 -1.254 8.384 -5.490 1.00 0.00 C ATOM 690 C GLU A 101 0.044 7.598 -5.343 1.00 0.00 C ATOM 691 O GLU A 101 1.005 7.830 -6.072 1.00 0.00 O ATOM 692 CB GLU A 101 -1.380 9.388 -4.342 1.00 0.00 C ATOM 693 CG GLU A 101 -2.700 10.151 -4.473 1.00 0.00 C ATOM 694 CD GLU A 101 -2.671 11.396 -3.592 1.00 0.00 C ATOM 695 OE1 GLU A 101 -1.657 11.622 -2.952 1.00 0.00 O ATOM 696 OE2 GLU A 101 -3.664 12.104 -3.569 1.00 0.00 O ATOM 0 H GLU A 101 -3.015 7.572 -4.685 1.00 0.00 H new ATOM 0 HA GLU A 101 -1.233 8.920 -6.439 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -1.342 8.868 -3.385 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -0.542 10.085 -4.360 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -2.864 10.435 -5.513 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -3.531 9.509 -4.182 1.00 0.00 H new ATOM 703 N LEU A 102 0.062 6.669 -4.394 1.00 0.00 N ATOM 704 CA LEU A 102 1.250 5.855 -4.160 1.00 0.00 C ATOM 705 C LEU A 102 1.611 5.051 -5.405 1.00 0.00 C ATOM 706 O LEU A 102 2.674 5.249 -5.994 1.00 0.00 O ATOM 707 CB LEU A 102 1.000 4.901 -2.988 1.00 0.00 C ATOM 708 CG LEU A 102 0.724 5.707 -1.714 1.00 0.00 C ATOM 709 CD1 LEU A 102 0.107 4.790 -0.656 1.00 0.00 C ATOM 710 CD2 LEU A 102 2.032 6.296 -1.173 1.00 0.00 C ATOM 0 H LEU A 102 -0.725 6.461 -3.779 1.00 0.00 H new ATOM 0 HA LEU A 102 2.081 6.519 -3.923 1.00 0.00 H new ATOM 0 HB2 LEU A 102 0.153 4.252 -3.210 1.00 0.00 H new ATOM 0 HB3 LEU A 102 1.866 4.256 -2.841 1.00 0.00 H new ATOM 0 HG LEU A 102 0.034 6.518 -1.947 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -0.090 5.362 0.251 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -0.828 4.376 -1.034 1.00 0.00 H new ATOM 0 HD13 LEU A 102 0.798 3.978 -0.430 1.00 0.00 H new ATOM 0 HD21 LEU A 102 1.827 6.867 -0.268 1.00 0.00 H new ATOM 0 HD22 LEU A 102 2.727 5.488 -0.943 1.00 0.00 H new ATOM 0 HD23 LEU A 102 2.474 6.952 -1.923 1.00 0.00 H new ATOM 722 N ARG A 103 0.723 4.144 -5.802 1.00 0.00 N ATOM 723 CA ARG A 103 0.968 3.318 -6.980 1.00 0.00 C ATOM 724 C ARG A 103 1.380 4.187 -8.167 1.00 0.00 C ATOM 725 O ARG A 103 2.271 3.825 -8.938 1.00 0.00 O ATOM 726 CB ARG A 103 -0.289 2.517 -7.333 1.00 0.00 C ATOM 727 CG ARG A 103 -1.366 3.455 -7.879 1.00 0.00 C ATOM 728 CD ARG A 103 -2.689 2.697 -8.007 1.00 0.00 C ATOM 729 NE ARG A 103 -3.591 3.402 -8.910 1.00 0.00 N ATOM 730 CZ ARG A 103 -4.715 2.836 -9.339 1.00 0.00 C ATOM 731 NH1 ARG A 103 -5.027 1.630 -8.952 1.00 0.00 N ATOM 732 NH2 ARG A 103 -5.506 3.487 -10.147 1.00 0.00 N ATOM 0 H ARG A 103 -0.164 3.963 -5.331 1.00 0.00 H new ATOM 0 HA ARG A 103 1.780 2.627 -6.754 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -0.049 1.754 -8.074 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -0.660 1.998 -6.449 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -1.488 4.311 -7.215 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -1.064 3.846 -8.850 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -2.504 1.690 -8.380 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -3.153 2.594 -7.026 1.00 0.00 H new ATOM 0 HE ARG A 103 -3.356 4.346 -9.218 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -4.409 1.121 -8.320 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -5.889 1.196 -9.281 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -5.262 4.430 -10.450 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -6.368 3.053 -10.476 1.00 0.00 H new ATOM 746 N ASP A 104 0.727 5.335 -8.307 1.00 0.00 N ATOM 747 CA ASP A 104 1.037 6.245 -9.400 1.00 0.00 C ATOM 748 C ASP A 104 2.466 6.766 -9.278 1.00 0.00 C ATOM 749 O ASP A 104 3.251 6.686 -10.223 1.00 0.00 O ATOM 750 CB ASP A 104 0.062 7.420 -9.391 1.00 0.00 C ATOM 751 CG ASP A 104 0.444 8.426 -10.470 1.00 0.00 C ATOM 752 OD1 ASP A 104 0.452 8.046 -11.630 1.00 0.00 O ATOM 753 OD2 ASP A 104 0.724 9.562 -10.122 1.00 0.00 O ATOM 0 H ASP A 104 -0.014 5.655 -7.683 1.00 0.00 H new ATOM 0 HA ASP A 104 0.942 5.700 -10.339 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -0.953 7.061 -9.560 1.00 0.00 H new ATOM 0 HB3 ASP A 104 0.071 7.902 -8.414 1.00 0.00 H new ATOM 758 N THR A 105 2.794 7.302 -8.108 1.00 0.00 N ATOM 759 CA THR A 105 4.129 7.837 -7.873 1.00 0.00 C ATOM 760 C THR A 105 5.198 6.840 -8.308 1.00 0.00 C ATOM 761 O THR A 105 6.034 7.148 -9.157 1.00 0.00 O ATOM 762 CB THR A 105 4.309 8.165 -6.386 1.00 0.00 C ATOM 763 OG1 THR A 105 3.123 8.767 -5.892 1.00 0.00 O ATOM 764 CG2 THR A 105 5.483 9.129 -6.212 1.00 0.00 C ATOM 0 H THR A 105 2.159 7.377 -7.313 1.00 0.00 H new ATOM 0 HA THR A 105 4.239 8.747 -8.463 1.00 0.00 H new ATOM 0 HB THR A 105 4.511 7.248 -5.832 1.00 0.00 H new ATOM 0 HG1 THR A 105 2.515 8.071 -5.566 1.00 0.00 H new ATOM 0 HG21 THR A 105 5.610 9.361 -5.155 1.00 0.00 H new ATOM 0 HG22 THR A 105 6.393 8.666 -6.593 1.00 0.00 H new ATOM 0 HG23 THR A 105 5.284 10.048 -6.764 1.00 0.00 H new ATOM 772 N ILE A 106 5.170 5.646 -7.722 1.00 0.00 N ATOM 773 CA ILE A 106 6.153 4.623 -8.062 1.00 0.00 C ATOM 774 C ILE A 106 6.080 4.270 -9.542 1.00 0.00 C ATOM 775 O ILE A 106 7.082 3.892 -10.147 1.00 0.00 O ATOM 776 CB ILE A 106 5.925 3.371 -7.220 1.00 0.00 C ATOM 777 CG1 ILE A 106 4.538 2.796 -7.511 1.00 0.00 C ATOM 778 CG2 ILE A 106 6.015 3.733 -5.737 1.00 0.00 C ATOM 779 CD1 ILE A 106 4.313 1.559 -6.643 1.00 0.00 C ATOM 0 H ILE A 106 4.487 5.366 -7.019 1.00 0.00 H new ATOM 0 HA ILE A 106 7.145 5.023 -7.849 1.00 0.00 H new ATOM 0 HB ILE A 106 6.685 2.630 -7.468 1.00 0.00 H new ATOM 0 HG12 ILE A 106 3.771 3.543 -7.306 1.00 0.00 H new ATOM 0 HG13 ILE A 106 4.454 2.535 -8.566 1.00 0.00 H new ATOM 0 HG21 ILE A 106 5.852 2.840 -5.134 1.00 0.00 H new ATOM 0 HG22 ILE A 106 7.002 4.142 -5.521 1.00 0.00 H new ATOM 0 HG23 ILE A 106 5.255 4.476 -5.497 1.00 0.00 H new ATOM 0 HD11 ILE A 106 3.325 1.146 -6.847 1.00 0.00 H new ATOM 0 HD12 ILE A 106 5.073 0.812 -6.871 1.00 0.00 H new ATOM 0 HD13 ILE A 106 4.380 1.836 -5.591 1.00 0.00 H new ATOM 791 N ASN A 107 4.890 4.388 -10.122 1.00 0.00 N ATOM 792 CA ASN A 107 4.714 4.070 -11.533 1.00 0.00 C ATOM 793 C ASN A 107 5.420 5.100 -12.413 1.00 0.00 C ATOM 794 O ASN A 107 5.846 4.786 -13.525 1.00 0.00 O ATOM 795 CB ASN A 107 3.221 4.036 -11.867 1.00 0.00 C ATOM 796 CG ASN A 107 2.708 2.598 -11.864 1.00 0.00 C ATOM 797 OD1 ASN A 107 3.188 1.766 -12.633 1.00 0.00 O ATOM 798 ND2 ASN A 107 1.757 2.256 -11.039 1.00 0.00 N ATOM 0 H ASN A 107 4.044 4.697 -9.644 1.00 0.00 H new ATOM 0 HA ASN A 107 5.155 3.093 -11.729 1.00 0.00 H new ATOM 0 HB2 ASN A 107 2.666 4.629 -11.140 1.00 0.00 H new ATOM 0 HB3 ASN A 107 3.050 4.488 -12.844 1.00 0.00 H new ATOM 0 HD21 ASN A 107 1.410 1.297 -11.030 1.00 0.00 H new ATOM 0 HD22 ASN A 107 1.361 2.948 -10.403 1.00 0.00 H new ATOM 805 N THR A 108 5.540 6.330 -11.915 1.00 0.00 N ATOM 806 CA THR A 108 6.194 7.393 -12.679 1.00 0.00 C ATOM 807 C THR A 108 7.193 8.155 -11.812 1.00 0.00 C ATOM 808 O THR A 108 7.251 9.384 -11.853 1.00 0.00 O ATOM 809 CB THR A 108 5.147 8.368 -13.226 1.00 0.00 C ATOM 810 OG1 THR A 108 5.797 9.536 -13.706 1.00 0.00 O ATOM 811 CG2 THR A 108 4.159 8.750 -12.119 1.00 0.00 C ATOM 0 H THR A 108 5.198 6.614 -10.997 1.00 0.00 H new ATOM 0 HA THR A 108 6.732 6.931 -13.507 1.00 0.00 H new ATOM 0 HB THR A 108 4.602 7.890 -14.040 1.00 0.00 H new ATOM 0 HG1 THR A 108 6.150 10.048 -12.949 1.00 0.00 H new ATOM 0 HG21 THR A 108 3.418 9.444 -12.516 1.00 0.00 H new ATOM 0 HG22 THR A 108 3.658 7.854 -11.753 1.00 0.00 H new ATOM 0 HG23 THR A 108 4.697 9.225 -11.299 1.00 0.00 H new ATOM 819 N SER A 109 7.985 7.419 -11.035 1.00 0.00 N ATOM 820 CA SER A 109 8.987 8.036 -10.167 1.00 0.00 C ATOM 821 C SER A 109 10.361 7.422 -10.414 1.00 0.00 C ATOM 822 O SER A 109 10.497 6.470 -11.182 1.00 0.00 O ATOM 823 CB SER A 109 8.602 7.849 -8.701 1.00 0.00 C ATOM 824 OG SER A 109 9.725 8.142 -7.879 1.00 0.00 O ATOM 0 H SER A 109 7.953 6.401 -10.988 1.00 0.00 H new ATOM 0 HA SER A 109 9.028 9.101 -10.397 1.00 0.00 H new ATOM 0 HB2 SER A 109 7.769 8.504 -8.445 1.00 0.00 H new ATOM 0 HB3 SER A 109 8.268 6.826 -8.529 1.00 0.00 H new ATOM 0 HG SER A 109 9.481 8.025 -6.937 1.00 0.00 H new ATOM 830 N CYS A 110 11.378 7.974 -9.758 1.00 0.00 N ATOM 831 CA CYS A 110 12.739 7.473 -9.913 1.00 0.00 C ATOM 832 C CYS A 110 13.554 7.733 -8.649 1.00 0.00 C ATOM 833 O CYS A 110 14.780 7.816 -8.696 1.00 0.00 O ATOM 834 CB CYS A 110 13.412 8.155 -11.106 1.00 0.00 C ATOM 835 SG CYS A 110 14.888 7.220 -11.580 1.00 0.00 S ATOM 0 H CYS A 110 11.286 8.763 -9.118 1.00 0.00 H new ATOM 0 HA CYS A 110 12.693 6.398 -10.086 1.00 0.00 H new ATOM 0 HB2 CYS A 110 12.719 8.211 -11.945 1.00 0.00 H new ATOM 0 HB3 CYS A 110 13.684 9.179 -10.848 1.00 0.00 H new ATOM 0 HG CYS A 110 15.618 6.998 -10.527 1.00 0.00 H new ATOM 841 N ASP A 111 12.861 7.862 -7.520 1.00 0.00 N ATOM 842 CA ASP A 111 13.530 8.111 -6.244 1.00 0.00 C ATOM 843 C ASP A 111 13.546 6.838 -5.400 1.00 0.00 C ATOM 844 O ASP A 111 12.499 6.290 -5.068 1.00 0.00 O ATOM 845 CB ASP A 111 12.805 9.232 -5.488 1.00 0.00 C ATOM 846 CG ASP A 111 13.430 10.584 -5.822 1.00 0.00 C ATOM 847 OD1 ASP A 111 13.553 10.883 -6.998 1.00 0.00 O ATOM 848 OD2 ASP A 111 13.774 11.300 -4.897 1.00 0.00 O ATOM 0 H ASP A 111 11.845 7.799 -7.461 1.00 0.00 H new ATOM 0 HA ASP A 111 14.558 8.416 -6.437 1.00 0.00 H new ATOM 0 HB2 ASP A 111 11.748 9.236 -5.755 1.00 0.00 H new ATOM 0 HB3 ASP A 111 12.862 9.052 -4.414 1.00 0.00 H new ATOM 853 N ILE A 112 14.741 6.371 -5.065 1.00 0.00 N ATOM 854 CA ILE A 112 14.879 5.155 -4.270 1.00 0.00 C ATOM 855 C ILE A 112 14.146 5.288 -2.938 1.00 0.00 C ATOM 856 O ILE A 112 13.189 4.561 -2.670 1.00 0.00 O ATOM 857 CB ILE A 112 16.359 4.867 -4.011 1.00 0.00 C ATOM 858 CG1 ILE A 112 17.109 4.767 -5.351 1.00 0.00 C ATOM 859 CG2 ILE A 112 16.497 3.554 -3.235 1.00 0.00 C ATOM 860 CD1 ILE A 112 17.006 3.344 -5.912 1.00 0.00 C ATOM 0 H ILE A 112 15.623 6.810 -5.328 1.00 0.00 H new ATOM 0 HA ILE A 112 14.437 4.331 -4.830 1.00 0.00 H new ATOM 0 HB ILE A 112 16.789 5.677 -3.422 1.00 0.00 H new ATOM 0 HG12 ILE A 112 16.691 5.478 -6.064 1.00 0.00 H new ATOM 0 HG13 ILE A 112 18.156 5.035 -5.211 1.00 0.00 H new ATOM 0 HG21 ILE A 112 17.552 3.349 -3.051 1.00 0.00 H new ATOM 0 HG22 ILE A 112 15.972 3.637 -2.283 1.00 0.00 H new ATOM 0 HG23 ILE A 112 16.066 2.740 -3.818 1.00 0.00 H new ATOM 0 HD11 ILE A 112 17.541 3.287 -6.860 1.00 0.00 H new ATOM 0 HD12 ILE A 112 17.446 2.641 -5.204 1.00 0.00 H new ATOM 0 HD13 ILE A 112 15.958 3.091 -6.071 1.00 0.00 H new ATOM 872 N GLU A 113 14.603 6.215 -2.103 1.00 0.00 N ATOM 873 CA GLU A 113 13.982 6.425 -0.800 1.00 0.00 C ATOM 874 C GLU A 113 12.463 6.493 -0.929 1.00 0.00 C ATOM 875 O GLU A 113 11.737 5.858 -0.164 1.00 0.00 O ATOM 876 CB GLU A 113 14.506 7.718 -0.168 1.00 0.00 C ATOM 877 CG GLU A 113 14.631 8.806 -1.239 1.00 0.00 C ATOM 878 CD GLU A 113 15.097 10.111 -0.605 1.00 0.00 C ATOM 879 OE1 GLU A 113 15.897 10.048 0.313 1.00 0.00 O ATOM 880 OE2 GLU A 113 14.646 11.155 -1.046 1.00 0.00 O ATOM 0 H GLU A 113 15.394 6.828 -2.302 1.00 0.00 H new ATOM 0 HA GLU A 113 14.240 5.581 -0.160 1.00 0.00 H new ATOM 0 HB2 GLU A 113 13.830 8.048 0.621 1.00 0.00 H new ATOM 0 HB3 GLU A 113 15.476 7.539 0.297 1.00 0.00 H new ATOM 0 HG2 GLU A 113 15.338 8.492 -2.007 1.00 0.00 H new ATOM 0 HG3 GLU A 113 13.670 8.954 -1.732 1.00 0.00 H new ATOM 887 N LEU A 114 11.991 7.266 -1.901 1.00 0.00 N ATOM 888 CA LEU A 114 10.558 7.408 -2.123 1.00 0.00 C ATOM 889 C LEU A 114 9.939 6.049 -2.439 1.00 0.00 C ATOM 890 O LEU A 114 9.089 5.552 -1.698 1.00 0.00 O ATOM 891 CB LEU A 114 10.320 8.389 -3.283 1.00 0.00 C ATOM 892 CG LEU A 114 8.821 8.693 -3.468 1.00 0.00 C ATOM 893 CD1 LEU A 114 8.091 7.465 -4.023 1.00 0.00 C ATOM 894 CD2 LEU A 114 8.193 9.107 -2.129 1.00 0.00 C ATOM 0 H LEU A 114 12.576 7.800 -2.544 1.00 0.00 H new ATOM 0 HA LEU A 114 10.086 7.798 -1.221 1.00 0.00 H new ATOM 0 HB2 LEU A 114 10.859 9.317 -3.093 1.00 0.00 H new ATOM 0 HB3 LEU A 114 10.723 7.969 -4.204 1.00 0.00 H new ATOM 0 HG LEU A 114 8.722 9.514 -4.178 1.00 0.00 H new ATOM 0 HD11 LEU A 114 7.033 7.696 -4.148 1.00 0.00 H new ATOM 0 HD12 LEU A 114 8.519 7.192 -4.988 1.00 0.00 H new ATOM 0 HD13 LEU A 114 8.201 6.632 -3.329 1.00 0.00 H new ATOM 0 HD21 LEU A 114 7.134 9.319 -2.274 1.00 0.00 H new ATOM 0 HD22 LEU A 114 8.306 8.297 -1.408 1.00 0.00 H new ATOM 0 HD23 LEU A 114 8.693 9.999 -1.753 1.00 0.00 H new ATOM 906 N LEU A 115 10.379 5.451 -3.542 1.00 0.00 N ATOM 907 CA LEU A 115 9.875 4.145 -3.954 1.00 0.00 C ATOM 908 C LEU A 115 9.725 3.232 -2.739 1.00 0.00 C ATOM 909 O LEU A 115 8.711 2.550 -2.582 1.00 0.00 O ATOM 910 CB LEU A 115 10.848 3.508 -4.963 1.00 0.00 C ATOM 911 CG LEU A 115 10.424 3.801 -6.414 1.00 0.00 C ATOM 912 CD1 LEU A 115 9.314 2.833 -6.834 1.00 0.00 C ATOM 913 CD2 LEU A 115 9.929 5.248 -6.554 1.00 0.00 C ATOM 0 H LEU A 115 11.082 5.849 -4.165 1.00 0.00 H new ATOM 0 HA LEU A 115 8.900 4.274 -4.423 1.00 0.00 H new ATOM 0 HB2 LEU A 115 11.854 3.891 -4.792 1.00 0.00 H new ATOM 0 HB3 LEU A 115 10.886 2.430 -4.804 1.00 0.00 H new ATOM 0 HG LEU A 115 11.290 3.666 -7.062 1.00 0.00 H new ATOM 0 HD11 LEU A 115 9.017 3.044 -7.861 1.00 0.00 H new ATOM 0 HD12 LEU A 115 9.679 1.808 -6.765 1.00 0.00 H new ATOM 0 HD13 LEU A 115 8.455 2.957 -6.175 1.00 0.00 H new ATOM 0 HD21 LEU A 115 9.635 5.433 -7.587 1.00 0.00 H new ATOM 0 HD22 LEU A 115 9.072 5.404 -5.899 1.00 0.00 H new ATOM 0 HD23 LEU A 115 10.729 5.935 -6.276 1.00 0.00 H new ATOM 925 N ALA A 116 10.743 3.224 -1.885 1.00 0.00 N ATOM 926 CA ALA A 116 10.719 2.392 -0.688 1.00 0.00 C ATOM 927 C ALA A 116 9.563 2.798 0.219 1.00 0.00 C ATOM 928 O ALA A 116 8.825 1.950 0.719 1.00 0.00 O ATOM 929 CB ALA A 116 12.038 2.537 0.072 1.00 0.00 C ATOM 0 H ALA A 116 11.590 3.781 -1.998 1.00 0.00 H new ATOM 0 HA ALA A 116 10.584 1.353 -0.990 1.00 0.00 H new ATOM 0 HB1 ALA A 116 12.014 1.913 0.965 1.00 0.00 H new ATOM 0 HB2 ALA A 116 12.863 2.223 -0.568 1.00 0.00 H new ATOM 0 HB3 ALA A 116 12.179 3.579 0.361 1.00 0.00 H new ATOM 935 N ALA A 117 9.412 4.101 0.423 1.00 0.00 N ATOM 936 CA ALA A 117 8.344 4.615 1.270 1.00 0.00 C ATOM 937 C ALA A 117 6.998 4.039 0.845 1.00 0.00 C ATOM 938 O ALA A 117 6.294 3.425 1.645 1.00 0.00 O ATOM 939 CB ALA A 117 8.302 6.141 1.178 1.00 0.00 C ATOM 0 H ALA A 117 10.013 4.818 0.016 1.00 0.00 H new ATOM 0 HA ALA A 117 8.542 4.316 2.299 1.00 0.00 H new ATOM 0 HB1 ALA A 117 7.502 6.522 1.813 1.00 0.00 H new ATOM 0 HB2 ALA A 117 9.255 6.552 1.510 1.00 0.00 H new ATOM 0 HB3 ALA A 117 8.119 6.438 0.146 1.00 0.00 H new ATOM 945 N CYS A 118 6.646 4.244 -0.418 1.00 0.00 N ATOM 946 CA CYS A 118 5.380 3.740 -0.939 1.00 0.00 C ATOM 947 C CYS A 118 5.246 2.242 -0.680 1.00 0.00 C ATOM 948 O CYS A 118 4.308 1.797 -0.018 1.00 0.00 O ATOM 949 CB CYS A 118 5.289 4.005 -2.442 1.00 0.00 C ATOM 950 SG CYS A 118 5.357 5.785 -2.747 1.00 0.00 S ATOM 0 H CYS A 118 7.214 4.752 -1.097 1.00 0.00 H new ATOM 0 HA CYS A 118 4.571 4.260 -0.426 1.00 0.00 H new ATOM 0 HB2 CYS A 118 6.107 3.505 -2.960 1.00 0.00 H new ATOM 0 HB3 CYS A 118 4.361 3.593 -2.839 1.00 0.00 H new ATOM 0 HG CYS A 118 4.870 6.042 -3.924 1.00 0.00 H new ATOM 956 N ARG A 119 6.187 1.470 -1.209 1.00 0.00 N ATOM 957 CA ARG A 119 6.162 0.024 -1.031 1.00 0.00 C ATOM 958 C ARG A 119 5.884 -0.331 0.428 1.00 0.00 C ATOM 959 O ARG A 119 5.066 -1.205 0.717 1.00 0.00 O ATOM 960 CB ARG A 119 7.503 -0.578 -1.465 1.00 0.00 C ATOM 961 CG ARG A 119 7.520 -0.754 -2.985 1.00 0.00 C ATOM 962 CD ARG A 119 8.959 -0.967 -3.459 1.00 0.00 C ATOM 963 NE ARG A 119 9.703 -1.748 -2.477 1.00 0.00 N ATOM 964 CZ ARG A 119 11.031 -1.697 -2.420 1.00 0.00 C ATOM 965 NH1 ARG A 119 11.692 -0.939 -3.252 1.00 0.00 N ATOM 966 NH2 ARG A 119 11.673 -2.406 -1.532 1.00 0.00 N ATOM 0 H ARG A 119 6.971 1.818 -1.761 1.00 0.00 H new ATOM 0 HA ARG A 119 5.364 -0.388 -1.649 1.00 0.00 H new ATOM 0 HB2 ARG A 119 8.322 0.071 -1.155 1.00 0.00 H new ATOM 0 HB3 ARG A 119 7.656 -1.540 -0.976 1.00 0.00 H new ATOM 0 HG2 ARG A 119 6.902 -1.606 -3.270 1.00 0.00 H new ATOM 0 HG3 ARG A 119 7.093 0.125 -3.468 1.00 0.00 H new ATOM 0 HD2 ARG A 119 8.961 -1.481 -4.420 1.00 0.00 H new ATOM 0 HD3 ARG A 119 9.445 -0.004 -3.612 1.00 0.00 H new ATOM 0 HE ARG A 119 9.196 -2.344 -1.822 1.00 0.00 H new ATOM 0 HH11 ARG A 119 11.190 -0.385 -3.946 1.00 0.00 H new ATOM 0 HH12 ARG A 119 12.710 -0.900 -3.208 1.00 0.00 H new ATOM 0 HH21 ARG A 119 11.156 -2.999 -0.882 1.00 0.00 H new ATOM 0 HH22 ARG A 119 12.691 -2.367 -1.488 1.00 0.00 H new ATOM 980 N GLU A 120 6.566 0.351 1.341 1.00 0.00 N ATOM 981 CA GLU A 120 6.377 0.094 2.763 1.00 0.00 C ATOM 982 C GLU A 120 4.927 0.351 3.159 1.00 0.00 C ATOM 983 O GLU A 120 4.303 -0.472 3.829 1.00 0.00 O ATOM 984 CB GLU A 120 7.303 0.988 3.590 1.00 0.00 C ATOM 985 CG GLU A 120 8.748 0.512 3.435 1.00 0.00 C ATOM 986 CD GLU A 120 8.970 -0.758 4.251 1.00 0.00 C ATOM 987 OE1 GLU A 120 9.133 -0.645 5.454 1.00 0.00 O ATOM 988 OE2 GLU A 120 8.973 -1.825 3.659 1.00 0.00 O ATOM 0 H GLU A 120 7.248 1.078 1.125 1.00 0.00 H new ATOM 0 HA GLU A 120 6.620 -0.950 2.960 1.00 0.00 H new ATOM 0 HB2 GLU A 120 7.213 2.024 3.262 1.00 0.00 H new ATOM 0 HB3 GLU A 120 7.011 0.960 4.640 1.00 0.00 H new ATOM 0 HG2 GLU A 120 8.966 0.322 2.384 1.00 0.00 H new ATOM 0 HG3 GLU A 120 9.434 1.292 3.767 1.00 0.00 H new ATOM 995 N GLU A 121 4.392 1.493 2.736 1.00 0.00 N ATOM 996 CA GLU A 121 3.011 1.836 3.051 1.00 0.00 C ATOM 997 C GLU A 121 2.099 0.659 2.724 1.00 0.00 C ATOM 998 O GLU A 121 1.284 0.243 3.547 1.00 0.00 O ATOM 999 CB GLU A 121 2.575 3.071 2.248 1.00 0.00 C ATOM 1000 CG GLU A 121 2.464 4.283 3.178 1.00 0.00 C ATOM 1001 CD GLU A 121 3.826 4.603 3.784 1.00 0.00 C ATOM 1002 OE1 GLU A 121 4.182 3.963 4.760 1.00 0.00 O ATOM 1003 OE2 GLU A 121 4.493 5.482 3.263 1.00 0.00 O ATOM 0 H GLU A 121 4.889 2.189 2.180 1.00 0.00 H new ATOM 0 HA GLU A 121 2.938 2.063 4.115 1.00 0.00 H new ATOM 0 HB2 GLU A 121 3.296 3.274 1.456 1.00 0.00 H new ATOM 0 HB3 GLU A 121 1.616 2.882 1.766 1.00 0.00 H new ATOM 0 HG2 GLU A 121 2.092 5.144 2.623 1.00 0.00 H new ATOM 0 HG3 GLU A 121 1.743 4.079 3.970 1.00 0.00 H new ATOM 1010 N PHE A 122 2.248 0.123 1.517 1.00 0.00 N ATOM 1011 CA PHE A 122 1.436 -1.011 1.095 1.00 0.00 C ATOM 1012 C PHE A 122 1.589 -2.166 2.079 1.00 0.00 C ATOM 1013 O PHE A 122 0.622 -2.597 2.700 1.00 0.00 O ATOM 1014 CB PHE A 122 1.860 -1.478 -0.300 1.00 0.00 C ATOM 1015 CG PHE A 122 1.662 -0.382 -1.329 1.00 0.00 C ATOM 1016 CD1 PHE A 122 0.625 0.558 -1.200 1.00 0.00 C ATOM 1017 CD2 PHE A 122 2.522 -0.317 -2.431 1.00 0.00 C ATOM 1018 CE1 PHE A 122 0.456 1.552 -2.171 1.00 0.00 C ATOM 1019 CE2 PHE A 122 2.353 0.679 -3.399 1.00 0.00 C ATOM 1020 CZ PHE A 122 1.321 1.613 -3.270 1.00 0.00 C ATOM 0 H PHE A 122 2.917 0.452 0.820 1.00 0.00 H new ATOM 0 HA PHE A 122 0.393 -0.694 1.069 1.00 0.00 H new ATOM 0 HB2 PHE A 122 2.907 -1.779 -0.283 1.00 0.00 H new ATOM 0 HB3 PHE A 122 1.280 -2.356 -0.584 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -0.042 0.513 -0.351 1.00 0.00 H new ATOM 0 HD2 PHE A 122 3.319 -1.038 -2.535 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -0.342 2.273 -2.072 1.00 0.00 H new ATOM 0 HE2 PHE A 122 3.021 0.726 -4.247 1.00 0.00 H new ATOM 0 HZ PHE A 122 1.191 2.381 -4.018 1.00 0.00 H new ATOM 1030 N HIS A 123 2.810 -2.662 2.214 1.00 0.00 N ATOM 1031 CA HIS A 123 3.079 -3.771 3.125 1.00 0.00 C ATOM 1032 C HIS A 123 2.367 -3.571 4.460 1.00 0.00 C ATOM 1033 O HIS A 123 1.806 -4.512 5.023 1.00 0.00 O ATOM 1034 CB HIS A 123 4.584 -3.881 3.366 1.00 0.00 C ATOM 1035 CG HIS A 123 4.856 -4.966 4.372 1.00 0.00 C ATOM 1036 ND1 HIS A 123 4.442 -6.275 4.180 1.00 0.00 N ATOM 1037 CD2 HIS A 123 5.495 -4.950 5.587 1.00 0.00 C ATOM 1038 CE1 HIS A 123 4.835 -6.987 5.252 1.00 0.00 C ATOM 1039 NE2 HIS A 123 5.482 -6.228 6.140 1.00 0.00 N ATOM 0 H HIS A 123 3.627 -2.319 1.709 1.00 0.00 H new ATOM 0 HA HIS A 123 2.705 -4.687 2.668 1.00 0.00 H new ATOM 0 HB2 HIS A 123 5.097 -4.102 2.430 1.00 0.00 H new ATOM 0 HB3 HIS A 123 4.975 -2.930 3.727 1.00 0.00 H new ATOM 0 HD2 HIS A 123 5.940 -4.079 6.044 1.00 0.00 H new ATOM 0 HE1 HIS A 123 4.650 -8.043 5.379 1.00 0.00 H new ATOM 0 HE2 HIS A 123 5.881 -6.521 7.032 1.00 0.00 H new ATOM 1047 N ARG A 124 2.407 -2.345 4.969 1.00 0.00 N ATOM 1048 CA ARG A 124 1.780 -2.035 6.250 1.00 0.00 C ATOM 1049 C ARG A 124 0.262 -2.191 6.186 1.00 0.00 C ATOM 1050 O ARG A 124 -0.318 -3.003 6.906 1.00 0.00 O ATOM 1051 CB ARG A 124 2.130 -0.604 6.667 1.00 0.00 C ATOM 1052 CG ARG A 124 3.564 -0.560 7.197 1.00 0.00 C ATOM 1053 CD ARG A 124 3.976 0.895 7.437 1.00 0.00 C ATOM 1054 NE ARG A 124 3.247 1.445 8.573 1.00 0.00 N ATOM 1055 CZ ARG A 124 3.546 1.093 9.819 1.00 0.00 C ATOM 1056 NH1 ARG A 124 4.510 0.241 10.043 1.00 0.00 N ATOM 1057 NH2 ARG A 124 2.879 1.599 10.820 1.00 0.00 N ATOM 0 H ARG A 124 2.864 -1.553 4.518 1.00 0.00 H new ATOM 0 HA ARG A 124 2.162 -2.741 6.987 1.00 0.00 H new ATOM 0 HB2 ARG A 124 2.025 0.069 5.816 1.00 0.00 H new ATOM 0 HB3 ARG A 124 1.437 -0.258 7.434 1.00 0.00 H new ATOM 0 HG2 ARG A 124 3.638 -1.128 8.125 1.00 0.00 H new ATOM 0 HG3 ARG A 124 4.241 -1.028 6.483 1.00 0.00 H new ATOM 0 HD2 ARG A 124 5.049 0.951 7.623 1.00 0.00 H new ATOM 0 HD3 ARG A 124 3.776 1.489 6.545 1.00 0.00 H new ATOM 0 HE ARG A 124 2.493 2.112 8.409 1.00 0.00 H new ATOM 0 HH11 ARG A 124 5.033 -0.154 9.262 1.00 0.00 H new ATOM 0 HH12 ARG A 124 4.740 -0.029 10.999 1.00 0.00 H new ATOM 0 HH21 ARG A 124 2.127 2.266 10.647 1.00 0.00 H new ATOM 0 HH22 ARG A 124 3.110 1.328 11.776 1.00 0.00 H new ATOM 1071 N ARG A 125 -0.380 -1.394 5.336 1.00 0.00 N ATOM 1072 CA ARG A 125 -1.834 -1.449 5.216 1.00 0.00 C ATOM 1073 C ARG A 125 -2.297 -2.817 4.718 1.00 0.00 C ATOM 1074 O ARG A 125 -3.471 -3.163 4.840 1.00 0.00 O ATOM 1075 CB ARG A 125 -2.336 -0.342 4.279 1.00 0.00 C ATOM 1076 CG ARG A 125 -2.082 -0.726 2.821 1.00 0.00 C ATOM 1077 CD ARG A 125 -2.150 0.526 1.945 1.00 0.00 C ATOM 1078 NE ARG A 125 -1.187 1.519 2.408 1.00 0.00 N ATOM 1079 CZ ARG A 125 -1.368 2.815 2.173 1.00 0.00 C ATOM 1080 NH1 ARG A 125 -2.418 3.221 1.515 1.00 0.00 N ATOM 1081 NH2 ARG A 125 -0.493 3.684 2.604 1.00 0.00 N ATOM 0 H ARG A 125 0.075 -0.712 4.729 1.00 0.00 H new ATOM 0 HA ARG A 125 -2.258 -1.291 6.207 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -3.402 -0.177 4.438 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -1.830 0.596 4.509 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -1.105 -1.199 2.723 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -2.823 -1.454 2.491 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -1.943 0.264 0.907 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -3.156 0.944 1.973 1.00 0.00 H new ATOM 0 HE ARG A 125 -0.360 1.214 2.921 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -3.103 2.544 1.179 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -2.555 4.216 1.336 1.00 0.00 H new ATOM 0 HH21 ARG A 125 0.328 3.368 3.120 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -0.631 4.679 2.424 1.00 0.00 H new ATOM 1095 N LEU A 126 -1.369 -3.602 4.177 1.00 0.00 N ATOM 1096 CA LEU A 126 -1.710 -4.936 3.690 1.00 0.00 C ATOM 1097 C LEU A 126 -1.859 -5.885 4.875 1.00 0.00 C ATOM 1098 O LEU A 126 -2.896 -6.524 5.047 1.00 0.00 O ATOM 1099 CB LEU A 126 -0.615 -5.457 2.739 1.00 0.00 C ATOM 1100 CG LEU A 126 -1.062 -5.343 1.270 1.00 0.00 C ATOM 1101 CD1 LEU A 126 -2.355 -6.141 1.044 1.00 0.00 C ATOM 1102 CD2 LEU A 126 -1.288 -3.870 0.908 1.00 0.00 C ATOM 0 H LEU A 126 -0.389 -3.343 4.066 1.00 0.00 H new ATOM 0 HA LEU A 126 -2.651 -4.884 3.142 1.00 0.00 H new ATOM 0 HB2 LEU A 126 0.303 -4.889 2.889 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -0.388 -6.497 2.974 1.00 0.00 H new ATOM 0 HG LEU A 126 -0.280 -5.754 0.631 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -2.660 -6.052 0.001 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -2.181 -7.190 1.283 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -3.142 -5.748 1.687 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -1.604 -3.795 -0.132 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -2.061 -3.451 1.553 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -0.360 -3.315 1.046 1.00 0.00 H new ATOM 1114 N LYS A 127 -0.816 -5.959 5.695 1.00 0.00 N ATOM 1115 CA LYS A 127 -0.844 -6.819 6.871 1.00 0.00 C ATOM 1116 C LYS A 127 -2.047 -6.474 7.739 1.00 0.00 C ATOM 1117 O LYS A 127 -2.824 -7.347 8.120 1.00 0.00 O ATOM 1118 CB LYS A 127 0.443 -6.636 7.679 1.00 0.00 C ATOM 1119 CG LYS A 127 1.612 -7.323 6.962 1.00 0.00 C ATOM 1120 CD LYS A 127 1.701 -8.792 7.396 1.00 0.00 C ATOM 1121 CE LYS A 127 2.503 -8.900 8.697 1.00 0.00 C ATOM 1122 NZ LYS A 127 2.700 -10.338 9.041 1.00 0.00 N ATOM 0 H LYS A 127 0.052 -5.438 5.568 1.00 0.00 H new ATOM 0 HA LYS A 127 -0.922 -7.857 6.549 1.00 0.00 H new ATOM 0 HB2 LYS A 127 0.656 -5.574 7.805 1.00 0.00 H new ATOM 0 HB3 LYS A 127 0.319 -7.057 8.677 1.00 0.00 H new ATOM 0 HG2 LYS A 127 1.474 -7.262 5.882 1.00 0.00 H new ATOM 0 HG3 LYS A 127 2.545 -6.809 7.194 1.00 0.00 H new ATOM 0 HD2 LYS A 127 0.700 -9.200 7.540 1.00 0.00 H new ATOM 0 HD3 LYS A 127 2.177 -9.384 6.614 1.00 0.00 H new ATOM 0 HE2 LYS A 127 3.468 -8.406 8.584 1.00 0.00 H new ATOM 0 HE3 LYS A 127 1.977 -8.390 9.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 3.244 -10.412 9.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 1.774 -10.795 9.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 3.219 -10.811 8.274 1.00 0.00 H new ATOM 1136 N VAL A 128 -2.192 -5.189 8.040 1.00 0.00 N ATOM 1137 CA VAL A 128 -3.306 -4.726 8.859 1.00 0.00 C ATOM 1138 C VAL A 128 -4.633 -5.056 8.183 1.00 0.00 C ATOM 1139 O VAL A 128 -5.579 -5.500 8.834 1.00 0.00 O ATOM 1140 CB VAL A 128 -3.202 -3.215 9.078 1.00 0.00 C ATOM 1141 CG1 VAL A 128 -4.310 -2.758 10.028 1.00 0.00 C ATOM 1142 CG2 VAL A 128 -1.838 -2.881 9.690 1.00 0.00 C ATOM 0 H VAL A 128 -1.557 -4.453 7.732 1.00 0.00 H new ATOM 0 HA VAL A 128 -3.264 -5.233 9.823 1.00 0.00 H new ATOM 0 HB VAL A 128 -3.309 -2.702 8.122 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -4.235 -1.682 10.183 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -5.282 -2.995 9.595 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -4.204 -3.271 10.984 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -1.763 -1.805 9.846 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -1.732 -3.395 10.646 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -1.047 -3.205 9.014 1.00 0.00 H new ATOM 1152 N TYR A 129 -4.692 -4.838 6.873 1.00 0.00 N ATOM 1153 CA TYR A 129 -5.906 -5.120 6.116 1.00 0.00 C ATOM 1154 C TYR A 129 -6.245 -6.606 6.191 1.00 0.00 C ATOM 1155 O TYR A 129 -7.412 -6.983 6.293 1.00 0.00 O ATOM 1156 CB TYR A 129 -5.713 -4.705 4.652 1.00 0.00 C ATOM 1157 CG TYR A 129 -6.801 -5.313 3.796 1.00 0.00 C ATOM 1158 CD1 TYR A 129 -8.143 -4.993 4.036 1.00 0.00 C ATOM 1159 CD2 TYR A 129 -6.468 -6.198 2.763 1.00 0.00 C ATOM 1160 CE1 TYR A 129 -9.150 -5.557 3.242 1.00 0.00 C ATOM 1161 CE2 TYR A 129 -7.475 -6.762 1.970 1.00 0.00 C ATOM 1162 CZ TYR A 129 -8.816 -6.441 2.211 1.00 0.00 C ATOM 1163 OH TYR A 129 -9.808 -6.996 1.428 1.00 0.00 O ATOM 0 H TYR A 129 -3.920 -4.470 6.317 1.00 0.00 H new ATOM 0 HA TYR A 129 -6.729 -4.550 6.548 1.00 0.00 H new ATOM 0 HB2 TYR A 129 -5.736 -3.619 4.567 1.00 0.00 H new ATOM 0 HB3 TYR A 129 -4.735 -5.032 4.298 1.00 0.00 H new ATOM 0 HD1 TYR A 129 -8.402 -4.312 4.833 1.00 0.00 H new ATOM 0 HD2 TYR A 129 -5.433 -6.446 2.578 1.00 0.00 H new ATOM 0 HE1 TYR A 129 -10.185 -5.309 3.426 1.00 0.00 H new ATOM 0 HE2 TYR A 129 -7.217 -7.444 1.173 1.00 0.00 H new ATOM 0 HH TYR A 129 -9.457 -7.170 0.530 1.00 0.00 H new ATOM 1173 N HIS A 130 -5.216 -7.444 6.144 1.00 0.00 N ATOM 1174 CA HIS A 130 -5.414 -8.887 6.209 1.00 0.00 C ATOM 1175 C HIS A 130 -5.825 -9.306 7.617 1.00 0.00 C ATOM 1176 O HIS A 130 -6.511 -10.312 7.803 1.00 0.00 O ATOM 1177 CB HIS A 130 -4.123 -9.608 5.816 1.00 0.00 C ATOM 1178 CG HIS A 130 -3.919 -9.500 4.329 1.00 0.00 C ATOM 1179 ND1 HIS A 130 -4.869 -9.934 3.419 1.00 0.00 N ATOM 1180 CD2 HIS A 130 -2.878 -9.010 3.579 1.00 0.00 C ATOM 1181 CE1 HIS A 130 -4.388 -9.700 2.184 1.00 0.00 C ATOM 1182 NE2 HIS A 130 -3.178 -9.137 2.225 1.00 0.00 N ATOM 0 H HIS A 130 -4.242 -7.152 6.062 1.00 0.00 H new ATOM 0 HA HIS A 130 -6.208 -9.160 5.514 1.00 0.00 H new ATOM 0 HB2 HIS A 130 -3.275 -9.170 6.343 1.00 0.00 H new ATOM 0 HB3 HIS A 130 -4.175 -10.656 6.111 1.00 0.00 H new ATOM 0 HD1 HIS A 130 -5.770 -10.355 3.644 1.00 0.00 H new ATOM 0 HD2 HIS A 130 -1.966 -8.590 3.978 1.00 0.00 H new ATOM 0 HE1 HIS A 130 -4.916 -9.938 1.272 1.00 0.00 H new ATOM 1190 N ALA A 131 -5.404 -8.524 8.606 1.00 0.00 N ATOM 1191 CA ALA A 131 -5.734 -8.820 9.994 1.00 0.00 C ATOM 1192 C ALA A 131 -7.180 -8.442 10.283 1.00 0.00 C ATOM 1193 O ALA A 131 -7.968 -9.263 10.755 1.00 0.00 O ATOM 1194 CB ALA A 131 -4.804 -8.046 10.930 1.00 0.00 C ATOM 0 H ALA A 131 -4.838 -7.686 8.473 1.00 0.00 H new ATOM 0 HA ALA A 131 -5.605 -9.889 10.162 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -5.058 -8.273 11.965 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -3.771 -8.336 10.738 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -4.919 -6.976 10.755 1.00 0.00 H new ATOM 1200 N TRP A 132 -7.524 -7.194 9.989 1.00 0.00 N ATOM 1201 CA TRP A 132 -8.882 -6.714 10.212 1.00 0.00 C ATOM 1202 C TRP A 132 -9.866 -7.514 9.363 1.00 0.00 C ATOM 1203 O TRP A 132 -10.991 -7.779 9.784 1.00 0.00 O ATOM 1204 CB TRP A 132 -8.967 -5.225 9.859 1.00 0.00 C ATOM 1205 CG TRP A 132 -10.391 -4.842 9.611 1.00 0.00 C ATOM 1206 CD1 TRP A 132 -11.213 -4.264 10.516 1.00 0.00 C ATOM 1207 CD2 TRP A 132 -11.170 -4.999 8.391 1.00 0.00 C ATOM 1208 NE1 TRP A 132 -12.448 -4.058 9.930 1.00 0.00 N ATOM 1209 CE2 TRP A 132 -12.472 -4.494 8.620 1.00 0.00 C ATOM 1210 CE3 TRP A 132 -10.874 -5.526 7.121 1.00 0.00 C ATOM 1211 CZ2 TRP A 132 -13.448 -4.513 7.623 1.00 0.00 C ATOM 1212 CZ3 TRP A 132 -11.854 -5.546 6.116 1.00 0.00 C ATOM 1213 CH2 TRP A 132 -13.137 -5.040 6.365 1.00 0.00 C ATOM 0 H TRP A 132 -6.886 -6.500 9.598 1.00 0.00 H new ATOM 0 HA TRP A 132 -9.141 -6.846 11.263 1.00 0.00 H new ATOM 0 HB2 TRP A 132 -8.556 -4.626 10.671 1.00 0.00 H new ATOM 0 HB3 TRP A 132 -8.366 -5.017 8.974 1.00 0.00 H new ATOM 0 HD1 TRP A 132 -10.948 -4.006 11.531 1.00 0.00 H new ATOM 0 HE1 TRP A 132 -13.244 -3.635 10.407 1.00 0.00 H new ATOM 0 HE3 TRP A 132 -9.888 -5.917 6.918 1.00 0.00 H new ATOM 0 HZ2 TRP A 132 -14.436 -4.124 7.821 1.00 0.00 H new ATOM 0 HZ3 TRP A 132 -11.618 -5.954 5.144 1.00 0.00 H new ATOM 0 HH2 TRP A 132 -13.885 -5.057 5.586 1.00 0.00 H new ATOM 1224 N LYS A 133 -9.433 -7.894 8.165 1.00 0.00 N ATOM 1225 CA LYS A 133 -10.282 -8.664 7.267 1.00 0.00 C ATOM 1226 C LYS A 133 -10.488 -10.074 7.808 1.00 0.00 C ATOM 1227 O LYS A 133 -11.596 -10.609 7.771 1.00 0.00 O ATOM 1228 CB LYS A 133 -9.642 -8.734 5.884 1.00 0.00 C ATOM 1229 CG LYS A 133 -10.579 -9.476 4.928 1.00 0.00 C ATOM 1230 CD LYS A 133 -10.196 -9.157 3.477 1.00 0.00 C ATOM 1231 CE LYS A 133 -10.137 -10.453 2.665 1.00 0.00 C ATOM 1232 NZ LYS A 133 -10.034 -10.127 1.215 1.00 0.00 N ATOM 0 H LYS A 133 -8.506 -7.682 7.797 1.00 0.00 H new ATOM 0 HA LYS A 133 -11.251 -8.170 7.194 1.00 0.00 H new ATOM 0 HB2 LYS A 133 -9.445 -7.729 5.511 1.00 0.00 H new ATOM 0 HB3 LYS A 133 -8.682 -9.247 5.941 1.00 0.00 H new ATOM 0 HG2 LYS A 133 -10.517 -10.550 5.103 1.00 0.00 H new ATOM 0 HG3 LYS A 133 -11.612 -9.182 5.115 1.00 0.00 H new ATOM 0 HD2 LYS A 133 -10.925 -8.475 3.039 1.00 0.00 H new ATOM 0 HD3 LYS A 133 -9.230 -8.653 3.448 1.00 0.00 H new ATOM 0 HE2 LYS A 133 -9.280 -11.051 2.976 1.00 0.00 H new ATOM 0 HE3 LYS A 133 -11.028 -11.052 2.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 -10.882 -10.471 0.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 -9.958 -9.097 1.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 -9.190 -10.585 0.815 1.00 0.00 H new ATOM 1246 N SER A 134 -9.411 -10.668 8.316 1.00 0.00 N ATOM 1247 CA SER A 134 -9.487 -12.015 8.867 1.00 0.00 C ATOM 1248 C SER A 134 -10.387 -12.034 10.097 1.00 0.00 C ATOM 1249 O SER A 134 -11.087 -13.014 10.353 1.00 0.00 O ATOM 1250 CB SER A 134 -8.089 -12.503 9.248 1.00 0.00 C ATOM 1251 OG SER A 134 -8.156 -13.871 9.628 1.00 0.00 O ATOM 0 H SER A 134 -8.485 -10.242 8.357 1.00 0.00 H new ATOM 0 HA SER A 134 -9.907 -12.677 8.110 1.00 0.00 H new ATOM 0 HB2 SER A 134 -7.407 -12.380 8.407 1.00 0.00 H new ATOM 0 HB3 SER A 134 -7.694 -11.905 10.069 1.00 0.00 H new ATOM 0 HG SER A 134 -7.261 -14.187 9.871 1.00 0.00 H new ATOM 1257 N LYS A 135 -10.365 -10.940 10.852 1.00 0.00 N ATOM 1258 CA LYS A 135 -11.185 -10.834 12.053 1.00 0.00 C ATOM 1259 C LYS A 135 -12.617 -10.452 11.687 1.00 0.00 C ATOM 1260 O LYS A 135 -13.570 -10.883 12.335 1.00 0.00 O ATOM 1261 CB LYS A 135 -10.594 -9.780 12.994 1.00 0.00 C ATOM 1262 CG LYS A 135 -9.430 -10.388 13.783 1.00 0.00 C ATOM 1263 CD LYS A 135 -8.867 -9.350 14.761 1.00 0.00 C ATOM 1264 CE LYS A 135 -7.866 -8.444 14.039 1.00 0.00 C ATOM 1265 NZ LYS A 135 -7.232 -7.523 15.024 1.00 0.00 N ATOM 0 H LYS A 135 -9.792 -10.119 10.655 1.00 0.00 H new ATOM 0 HA LYS A 135 -11.196 -11.802 12.555 1.00 0.00 H new ATOM 0 HB2 LYS A 135 -10.248 -8.920 12.421 1.00 0.00 H new ATOM 0 HB3 LYS A 135 -11.361 -9.419 13.679 1.00 0.00 H new ATOM 0 HG2 LYS A 135 -9.769 -11.269 14.329 1.00 0.00 H new ATOM 0 HG3 LYS A 135 -8.648 -10.718 13.099 1.00 0.00 H new ATOM 0 HD2 LYS A 135 -9.678 -8.752 15.177 1.00 0.00 H new ATOM 0 HD3 LYS A 135 -8.380 -9.852 15.597 1.00 0.00 H new ATOM 0 HE2 LYS A 135 -7.104 -9.047 13.545 1.00 0.00 H new ATOM 0 HE3 LYS A 135 -8.372 -7.871 13.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 -6.552 -6.907 14.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 -7.965 -6.940 15.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 -6.736 -8.079 15.750 1.00 0.00 H new