USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 595 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 84 CYS SG : rot -133:sc= -0.51 USER MOD Set 1.2: A 87 CYS SG : rot 139:sc= 0.701 USER MOD Set 1.3: A 105 CYS SG : rot -44:sc= 0.437 USER MOD Set 1.4: A 108 CYS SG : rot 147:sc= 0.323 USER MOD Set 2.1: A 80 THR OG1 : rot -42:sc= 0.642 USER MOD Set 2.2: A 83 THR OG1 : rot 104:sc= 0.1 USER MOD Set 3.1: A 8 ASN : amide:sc= -0.0527 K(o=-0.11,f=-0.95!) USER MOD Set 3.2: A 11 SER OG : rot 180:sc= -0.0569 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 147:sc= -1.04 (180deg=-2.74!) USER MOD Single : A 20 GLN : amide:sc= -0.446 X(o=-0.45,f=-0.13) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 HIS :FLIP no HD1:sc= -0.143 F(o=-0.77,f=-0.14) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 GLN : amide:sc= -2.25! X(o=-2.2!,f=-1.8) USER MOD Single : A 78 SER OG : rot 80:sc= 0.929 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ -148:sc= -0.199 (180deg=-1.4) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 165:sc= 0.737 (180deg=0.553) USER MOD Single : A 101 TYR OH : rot 82:sc= 0.128 USER MOD Single : A 102 THR OG1 : rot -95:sc= 1.04 USER MOD Single : A 106 GLN : amide:sc= -0.381 K(o=-0.38,f=-4.8!) USER MOD ----------------------------------------------------------------- ATOM 96 N ASN A 8 11.638 8.277 -10.941 1.00 0.00 N ATOM 97 CA ASN A 8 12.451 9.131 -10.041 1.00 0.00 C ATOM 98 C ASN A 8 11.631 10.299 -9.455 1.00 0.00 C ATOM 99 O ASN A 8 11.428 11.335 -10.105 1.00 0.00 O ATOM 100 CB ASN A 8 13.752 9.646 -10.719 1.00 0.00 C ATOM 101 CG ASN A 8 14.649 10.467 -9.779 1.00 0.00 C ATOM 102 OD1 ASN A 8 14.680 10.256 -8.565 1.00 0.00 O ATOM 103 ND2 ASN A 8 15.397 11.397 -10.338 1.00 0.00 N ATOM 0 HA ASN A 8 12.754 8.491 -9.213 1.00 0.00 H new ATOM 0 HB2 ASN A 8 14.318 8.794 -11.096 1.00 0.00 H new ATOM 0 HB3 ASN A 8 13.486 10.258 -11.581 1.00 0.00 H new ATOM 0 HD21 ASN A 8 16.021 11.963 -9.763 1.00 0.00 H new ATOM 0 HD22 ASN A 8 15.352 11.551 -11.345 1.00 0.00 H new ATOM 110 N VAL A 9 11.190 10.117 -8.208 1.00 0.00 N ATOM 111 CA VAL A 9 10.380 11.103 -7.489 1.00 0.00 C ATOM 112 C VAL A 9 11.227 12.340 -7.088 1.00 0.00 C ATOM 113 O VAL A 9 10.680 13.428 -6.969 1.00 0.00 O ATOM 114 CB VAL A 9 9.714 10.459 -6.211 1.00 0.00 C ATOM 115 CG1 VAL A 9 8.808 11.459 -5.477 1.00 0.00 C ATOM 116 CG2 VAL A 9 8.926 9.172 -6.557 1.00 0.00 C ATOM 0 H VAL A 9 11.386 9.276 -7.665 1.00 0.00 H new ATOM 0 HA VAL A 9 9.590 11.435 -8.163 1.00 0.00 H new ATOM 0 HB VAL A 9 10.530 10.185 -5.542 1.00 0.00 H new ATOM 0 HG11 VAL A 9 8.368 10.978 -4.603 1.00 0.00 H new ATOM 0 HG12 VAL A 9 9.398 12.319 -5.160 1.00 0.00 H new ATOM 0 HG13 VAL A 9 8.014 11.790 -6.147 1.00 0.00 H new ATOM 0 HG21 VAL A 9 8.484 8.761 -5.649 1.00 0.00 H new ATOM 0 HG22 VAL A 9 8.136 9.409 -7.270 1.00 0.00 H new ATOM 0 HG23 VAL A 9 9.602 8.438 -6.996 1.00 0.00 H new ATOM 126 N GLU A 10 12.564 12.162 -6.920 1.00 0.00 N ATOM 127 CA GLU A 10 13.474 13.232 -6.416 1.00 0.00 C ATOM 128 C GLU A 10 13.450 14.496 -7.303 1.00 0.00 C ATOM 129 O GLU A 10 13.438 15.620 -6.784 1.00 0.00 O ATOM 130 CB GLU A 10 14.934 12.722 -6.285 1.00 0.00 C ATOM 131 CG GLU A 10 15.923 13.762 -5.698 1.00 0.00 C ATOM 132 CD GLU A 10 17.371 13.260 -5.610 1.00 0.00 C ATOM 133 OE1 GLU A 10 17.704 12.543 -4.640 1.00 0.00 O ATOM 134 OE2 GLU A 10 18.178 13.563 -6.515 1.00 0.00 O ATOM 0 H GLU A 10 13.040 11.284 -7.127 1.00 0.00 H new ATOM 0 HA GLU A 10 13.098 13.503 -5.429 1.00 0.00 H new ATOM 0 HB2 GLU A 10 14.941 11.834 -5.653 1.00 0.00 H new ATOM 0 HB3 GLU A 10 15.289 12.415 -7.269 1.00 0.00 H new ATOM 0 HG2 GLU A 10 15.897 14.661 -6.313 1.00 0.00 H new ATOM 0 HG3 GLU A 10 15.586 14.047 -4.701 1.00 0.00 H new ATOM 141 N SER A 11 13.449 14.291 -8.633 1.00 0.00 N ATOM 142 CA SER A 11 13.385 15.389 -9.619 1.00 0.00 C ATOM 143 C SER A 11 12.102 16.216 -9.434 1.00 0.00 C ATOM 144 O SER A 11 12.121 17.456 -9.479 1.00 0.00 O ATOM 145 CB SER A 11 13.434 14.811 -11.046 1.00 0.00 C ATOM 146 OG SER A 11 14.587 14.010 -11.238 1.00 0.00 O ATOM 0 H SER A 11 13.492 13.363 -9.055 1.00 0.00 H new ATOM 0 HA SER A 11 14.242 16.044 -9.463 1.00 0.00 H new ATOM 0 HB2 SER A 11 12.540 14.215 -11.230 1.00 0.00 H new ATOM 0 HB3 SER A 11 13.429 15.625 -11.771 1.00 0.00 H new ATOM 0 HG SER A 11 14.591 13.655 -12.152 1.00 0.00 H new ATOM 152 N TYR A 12 10.995 15.497 -9.196 1.00 0.00 N ATOM 153 CA TYR A 12 9.681 16.101 -8.972 1.00 0.00 C ATOM 154 C TYR A 12 9.635 16.795 -7.604 1.00 0.00 C ATOM 155 O TYR A 12 9.092 17.877 -7.484 1.00 0.00 O ATOM 156 CB TYR A 12 8.571 15.031 -9.097 1.00 0.00 C ATOM 157 CG TYR A 12 8.540 14.352 -10.473 1.00 0.00 C ATOM 158 CD1 TYR A 12 8.504 15.118 -11.643 1.00 0.00 C ATOM 159 CD2 TYR A 12 8.555 12.959 -10.608 1.00 0.00 C ATOM 160 CE1 TYR A 12 8.484 14.526 -12.884 1.00 0.00 C ATOM 161 CE2 TYR A 12 8.533 12.365 -11.855 1.00 0.00 C ATOM 162 CZ TYR A 12 8.497 13.152 -12.988 1.00 0.00 C ATOM 163 OH TYR A 12 8.473 12.558 -14.231 1.00 0.00 O ATOM 0 H TYR A 12 10.990 14.478 -9.154 1.00 0.00 H new ATOM 0 HA TYR A 12 9.506 16.859 -9.736 1.00 0.00 H new ATOM 0 HB2 TYR A 12 8.718 14.273 -8.328 1.00 0.00 H new ATOM 0 HB3 TYR A 12 7.604 15.496 -8.906 1.00 0.00 H new ATOM 0 HD1 TYR A 12 8.492 16.195 -11.570 1.00 0.00 H new ATOM 0 HD2 TYR A 12 8.584 12.339 -9.724 1.00 0.00 H new ATOM 0 HE1 TYR A 12 8.458 15.136 -13.775 1.00 0.00 H new ATOM 0 HE2 TYR A 12 8.544 11.289 -11.943 1.00 0.00 H new ATOM 0 HH TYR A 12 8.488 11.584 -14.128 1.00 0.00 H new ATOM 173 N GLU A 13 10.271 16.173 -6.605 1.00 0.00 N ATOM 174 CA GLU A 13 10.300 16.644 -5.221 1.00 0.00 C ATOM 175 C GLU A 13 10.891 18.069 -5.157 1.00 0.00 C ATOM 176 O GLU A 13 10.235 19.002 -4.688 1.00 0.00 O ATOM 177 CB GLU A 13 11.133 15.619 -4.388 1.00 0.00 C ATOM 178 CG GLU A 13 10.837 15.565 -2.881 1.00 0.00 C ATOM 179 CD GLU A 13 11.284 16.801 -2.090 1.00 0.00 C ATOM 180 OE1 GLU A 13 12.501 17.047 -2.021 1.00 0.00 O ATOM 181 OE2 GLU A 13 10.434 17.506 -1.506 1.00 0.00 O ATOM 0 H GLU A 13 10.792 15.307 -6.743 1.00 0.00 H new ATOM 0 HA GLU A 13 9.295 16.706 -4.804 1.00 0.00 H new ATOM 0 HB2 GLU A 13 10.968 14.625 -4.805 1.00 0.00 H new ATOM 0 HB3 GLU A 13 12.190 15.849 -4.521 1.00 0.00 H new ATOM 0 HG2 GLU A 13 9.764 15.430 -2.741 1.00 0.00 H new ATOM 0 HG3 GLU A 13 11.326 14.686 -2.461 1.00 0.00 H new ATOM 188 N LYS A 14 12.107 18.215 -5.715 1.00 0.00 N ATOM 189 CA LYS A 14 12.864 19.479 -5.693 1.00 0.00 C ATOM 190 C LYS A 14 12.177 20.586 -6.529 1.00 0.00 C ATOM 191 O LYS A 14 12.110 21.743 -6.089 1.00 0.00 O ATOM 192 CB LYS A 14 14.325 19.255 -6.181 1.00 0.00 C ATOM 193 CG LYS A 14 14.457 18.690 -7.610 1.00 0.00 C ATOM 194 CD LYS A 14 15.918 18.550 -8.107 1.00 0.00 C ATOM 195 CE LYS A 14 16.578 19.881 -8.533 1.00 0.00 C ATOM 196 NZ LYS A 14 16.778 20.833 -7.406 1.00 0.00 N ATOM 0 H LYS A 14 12.593 17.457 -6.195 1.00 0.00 H new ATOM 0 HA LYS A 14 12.887 19.821 -4.658 1.00 0.00 H new ATOM 0 HB2 LYS A 14 14.858 20.205 -6.132 1.00 0.00 H new ATOM 0 HB3 LYS A 14 14.822 18.574 -5.490 1.00 0.00 H new ATOM 0 HG2 LYS A 14 13.977 17.712 -7.647 1.00 0.00 H new ATOM 0 HG3 LYS A 14 13.912 19.338 -8.296 1.00 0.00 H new ATOM 0 HD2 LYS A 14 16.516 18.099 -7.316 1.00 0.00 H new ATOM 0 HD3 LYS A 14 15.937 17.862 -8.952 1.00 0.00 H new ATOM 0 HE2 LYS A 14 17.543 19.668 -8.993 1.00 0.00 H new ATOM 0 HE3 LYS A 14 15.960 20.357 -9.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 17.642 21.388 -7.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 15.961 21.474 -7.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 16.871 20.303 -6.516 1.00 0.00 H new ATOM 210 N ILE A 15 11.646 20.226 -7.726 1.00 0.00 N ATOM 211 CA ILE A 15 11.013 21.216 -8.634 1.00 0.00 C ATOM 212 C ILE A 15 9.702 21.748 -8.017 1.00 0.00 C ATOM 213 O ILE A 15 9.331 22.901 -8.233 1.00 0.00 O ATOM 214 CB ILE A 15 10.765 20.638 -10.091 1.00 0.00 C ATOM 215 CG1 ILE A 15 10.507 21.782 -11.133 1.00 0.00 C ATOM 216 CG2 ILE A 15 9.598 19.620 -10.121 1.00 0.00 C ATOM 217 CD1 ILE A 15 10.433 21.305 -12.582 1.00 0.00 C ATOM 0 H ILE A 15 11.643 19.270 -8.081 1.00 0.00 H new ATOM 0 HA ILE A 15 11.712 22.044 -8.746 1.00 0.00 H new ATOM 0 HB ILE A 15 11.679 20.115 -10.372 1.00 0.00 H new ATOM 0 HG12 ILE A 15 9.574 22.285 -10.880 1.00 0.00 H new ATOM 0 HG13 ILE A 15 11.302 22.523 -11.046 1.00 0.00 H new ATOM 0 HG21 ILE A 15 9.464 19.250 -11.138 1.00 0.00 H new ATOM 0 HG22 ILE A 15 9.826 18.785 -9.458 1.00 0.00 H new ATOM 0 HG23 ILE A 15 8.682 20.107 -9.788 1.00 0.00 H new ATOM 0 HD11 ILE A 15 10.252 22.157 -13.237 1.00 0.00 H new ATOM 0 HD12 ILE A 15 11.374 20.829 -12.857 1.00 0.00 H new ATOM 0 HD13 ILE A 15 9.619 20.587 -12.688 1.00 0.00 H new ATOM 229 N LEU A 16 9.040 20.891 -7.210 1.00 0.00 N ATOM 230 CA LEU A 16 7.808 21.241 -6.482 1.00 0.00 C ATOM 231 C LEU A 16 8.108 22.174 -5.302 1.00 0.00 C ATOM 232 O LEU A 16 7.284 23.030 -4.971 1.00 0.00 O ATOM 233 CB LEU A 16 7.078 19.962 -5.994 1.00 0.00 C ATOM 234 CG LEU A 16 6.376 19.122 -7.103 1.00 0.00 C ATOM 235 CD1 LEU A 16 5.823 17.792 -6.543 1.00 0.00 C ATOM 236 CD2 LEU A 16 5.282 19.945 -7.804 1.00 0.00 C ATOM 0 H LEU A 16 9.349 19.933 -7.047 1.00 0.00 H new ATOM 0 HA LEU A 16 7.152 21.772 -7.172 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.801 19.325 -5.484 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.331 20.251 -5.255 1.00 0.00 H new ATOM 0 HG LEU A 16 7.125 18.863 -7.852 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.340 17.233 -7.344 1.00 0.00 H new ATOM 0 HD12 LEU A 16 6.642 17.202 -6.131 1.00 0.00 H new ATOM 0 HD13 LEU A 16 5.096 18.002 -5.758 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.807 19.337 -8.574 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.535 20.254 -7.073 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.728 20.827 -8.263 1.00 0.00 H new ATOM 248 N ARG A 17 9.290 22.004 -4.673 1.00 0.00 N ATOM 249 CA ARG A 17 9.737 22.903 -3.593 1.00 0.00 C ATOM 250 C ARG A 17 9.951 24.323 -4.145 1.00 0.00 C ATOM 251 O ARG A 17 9.604 25.302 -3.489 1.00 0.00 O ATOM 252 CB ARG A 17 11.038 22.400 -2.912 1.00 0.00 C ATOM 253 CG ARG A 17 10.939 20.984 -2.306 1.00 0.00 C ATOM 254 CD ARG A 17 12.189 20.571 -1.505 1.00 0.00 C ATOM 255 NE ARG A 17 13.451 20.788 -2.246 1.00 0.00 N ATOM 256 CZ ARG A 17 14.557 20.030 -2.143 1.00 0.00 C ATOM 257 NH1 ARG A 17 14.539 18.882 -1.490 1.00 0.00 N ATOM 258 NH2 ARG A 17 15.673 20.417 -2.734 1.00 0.00 N ATOM 0 H ARG A 17 9.947 21.256 -4.894 1.00 0.00 H new ATOM 0 HA ARG A 17 8.954 22.915 -2.835 1.00 0.00 H new ATOM 0 HB2 ARG A 17 11.844 22.412 -3.645 1.00 0.00 H new ATOM 0 HB3 ARG A 17 11.314 23.100 -2.123 1.00 0.00 H new ATOM 0 HG2 ARG A 17 10.067 20.936 -1.654 1.00 0.00 H new ATOM 0 HG3 ARG A 17 10.777 20.264 -3.108 1.00 0.00 H new ATOM 0 HD2 ARG A 17 12.220 21.137 -0.574 1.00 0.00 H new ATOM 0 HD3 ARG A 17 12.109 19.518 -1.236 1.00 0.00 H new ATOM 0 HE ARG A 17 13.485 21.579 -2.889 1.00 0.00 H new ATOM 0 HH11 ARG A 17 13.676 18.557 -1.053 1.00 0.00 H new ATOM 0 HH12 ARG A 17 15.388 18.320 -1.422 1.00 0.00 H new ATOM 0 HH21 ARG A 17 15.693 21.287 -3.266 1.00 0.00 H new ATOM 0 HH22 ARG A 17 16.515 19.846 -2.659 1.00 0.00 H new ATOM 272 N ASP A 18 10.475 24.414 -5.387 1.00 0.00 N ATOM 273 CA ASP A 18 10.770 25.707 -6.045 1.00 0.00 C ATOM 274 C ASP A 18 9.511 26.282 -6.681 1.00 0.00 C ATOM 275 O ASP A 18 9.392 27.504 -6.858 1.00 0.00 O ATOM 276 CB ASP A 18 11.895 25.551 -7.097 1.00 0.00 C ATOM 277 CG ASP A 18 13.266 25.375 -6.440 1.00 0.00 C ATOM 278 OD1 ASP A 18 13.945 26.391 -6.181 1.00 0.00 O ATOM 279 OD2 ASP A 18 13.656 24.230 -6.144 1.00 0.00 O ATOM 0 H ASP A 18 10.704 23.601 -5.958 1.00 0.00 H new ATOM 0 HA ASP A 18 11.119 26.404 -5.283 1.00 0.00 H new ATOM 0 HB2 ASP A 18 11.683 24.691 -7.732 1.00 0.00 H new ATOM 0 HB3 ASP A 18 11.912 26.428 -7.744 1.00 0.00 H new ATOM 284 N ARG A 19 8.570 25.385 -7.000 1.00 0.00 N ATOM 285 CA ARG A 19 7.293 25.750 -7.604 1.00 0.00 C ATOM 286 C ARG A 19 6.398 26.411 -6.549 1.00 0.00 C ATOM 287 O ARG A 19 5.764 27.423 -6.812 1.00 0.00 O ATOM 288 CB ARG A 19 6.593 24.508 -8.228 1.00 0.00 C ATOM 289 CG ARG A 19 5.593 24.850 -9.349 1.00 0.00 C ATOM 290 CD ARG A 19 6.287 25.555 -10.520 1.00 0.00 C ATOM 291 NE ARG A 19 5.324 25.951 -11.561 1.00 0.00 N ATOM 292 CZ ARG A 19 5.552 26.841 -12.539 1.00 0.00 C ATOM 293 NH1 ARG A 19 6.719 27.468 -12.651 1.00 0.00 N ATOM 294 NH2 ARG A 19 4.598 27.111 -13.407 1.00 0.00 N ATOM 0 H ARG A 19 8.678 24.383 -6.844 1.00 0.00 H new ATOM 0 HA ARG A 19 7.475 26.460 -8.411 1.00 0.00 H new ATOM 0 HB2 ARG A 19 7.354 23.837 -8.626 1.00 0.00 H new ATOM 0 HB3 ARG A 19 6.069 23.965 -7.441 1.00 0.00 H new ATOM 0 HG2 ARG A 19 5.115 23.937 -9.704 1.00 0.00 H new ATOM 0 HG3 ARG A 19 4.804 25.490 -8.953 1.00 0.00 H new ATOM 0 HD2 ARG A 19 6.812 26.437 -10.155 1.00 0.00 H new ATOM 0 HD3 ARG A 19 7.038 24.893 -10.951 1.00 0.00 H new ATOM 0 HE ARG A 19 4.404 25.511 -11.537 1.00 0.00 H new ATOM 0 HH11 ARG A 19 7.467 27.277 -11.984 1.00 0.00 H new ATOM 0 HH12 ARG A 19 6.867 28.140 -13.404 1.00 0.00 H new ATOM 0 HH21 ARG A 19 3.694 26.645 -13.333 1.00 0.00 H new ATOM 0 HH22 ARG A 19 4.764 27.786 -14.153 1.00 0.00 H new ATOM 308 N GLN A 20 6.371 25.831 -5.339 1.00 0.00 N ATOM 309 CA GLN A 20 5.613 26.406 -4.211 1.00 0.00 C ATOM 310 C GLN A 20 6.335 27.655 -3.673 1.00 0.00 C ATOM 311 O GLN A 20 5.676 28.549 -3.175 1.00 0.00 O ATOM 312 CB GLN A 20 5.360 25.364 -3.085 1.00 0.00 C ATOM 313 CG GLN A 20 6.559 25.083 -2.164 1.00 0.00 C ATOM 314 CD GLN A 20 6.293 24.048 -1.064 1.00 0.00 C ATOM 315 OE1 GLN A 20 7.209 23.347 -0.643 1.00 0.00 O ATOM 316 NE2 GLN A 20 5.054 23.958 -0.576 1.00 0.00 N ATOM 0 H GLN A 20 6.863 24.966 -5.114 1.00 0.00 H new ATOM 0 HA GLN A 20 4.632 26.704 -4.581 1.00 0.00 H new ATOM 0 HB2 GLN A 20 4.527 25.711 -2.473 1.00 0.00 H new ATOM 0 HB3 GLN A 20 5.049 24.426 -3.545 1.00 0.00 H new ATOM 0 HG2 GLN A 20 7.395 24.739 -2.773 1.00 0.00 H new ATOM 0 HG3 GLN A 20 6.868 26.018 -1.697 1.00 0.00 H new ATOM 0 HE21 GLN A 20 4.315 24.555 -0.947 1.00 0.00 H new ATOM 0 HE22 GLN A 20 4.846 23.292 0.168 1.00 0.00 H new ATOM 325 N ARG A 21 7.695 27.709 -3.792 1.00 0.00 N ATOM 326 CA ARG A 21 8.487 28.924 -3.451 1.00 0.00 C ATOM 327 C ARG A 21 7.957 30.128 -4.243 1.00 0.00 C ATOM 328 O ARG A 21 7.516 31.129 -3.658 1.00 0.00 O ATOM 329 CB ARG A 21 10.014 28.754 -3.763 1.00 0.00 C ATOM 330 CG ARG A 21 10.856 28.047 -2.681 1.00 0.00 C ATOM 331 CD ARG A 21 12.320 27.863 -3.130 1.00 0.00 C ATOM 332 NE ARG A 21 13.170 27.294 -2.071 1.00 0.00 N ATOM 333 CZ ARG A 21 14.380 26.737 -2.262 1.00 0.00 C ATOM 334 NH1 ARG A 21 14.893 26.592 -3.475 1.00 0.00 N ATOM 335 NH2 ARG A 21 15.067 26.301 -1.229 1.00 0.00 N ATOM 0 H ARG A 21 8.261 26.926 -4.121 1.00 0.00 H new ATOM 0 HA ARG A 21 8.376 29.083 -2.378 1.00 0.00 H new ATOM 0 HB2 ARG A 21 10.113 28.195 -4.694 1.00 0.00 H new ATOM 0 HB3 ARG A 21 10.440 29.742 -3.937 1.00 0.00 H new ATOM 0 HG2 ARG A 21 10.828 28.629 -1.760 1.00 0.00 H new ATOM 0 HG3 ARG A 21 10.419 27.074 -2.457 1.00 0.00 H new ATOM 0 HD2 ARG A 21 12.349 27.211 -4.003 1.00 0.00 H new ATOM 0 HD3 ARG A 21 12.726 28.827 -3.438 1.00 0.00 H new ATOM 0 HE ARG A 21 12.813 27.324 -1.116 1.00 0.00 H new ATOM 0 HH11 ARG A 21 14.368 26.906 -4.291 1.00 0.00 H new ATOM 0 HH12 ARG A 21 15.813 26.166 -3.592 1.00 0.00 H new ATOM 0 HH21 ARG A 21 14.682 26.386 -0.288 1.00 0.00 H new ATOM 0 HH22 ARG A 21 15.985 25.878 -1.369 1.00 0.00 H new ATOM 349 N GLU A 22 7.980 29.985 -5.587 1.00 0.00 N ATOM 350 CA GLU A 22 7.613 31.060 -6.513 1.00 0.00 C ATOM 351 C GLU A 22 6.143 31.448 -6.351 1.00 0.00 C ATOM 352 O GLU A 22 5.821 32.629 -6.413 1.00 0.00 O ATOM 353 CB GLU A 22 7.924 30.687 -7.992 1.00 0.00 C ATOM 354 CG GLU A 22 7.145 29.501 -8.569 1.00 0.00 C ATOM 355 CD GLU A 22 7.432 29.270 -10.057 1.00 0.00 C ATOM 356 OE1 GLU A 22 6.782 29.934 -10.899 1.00 0.00 O ATOM 357 OE2 GLU A 22 8.315 28.449 -10.395 1.00 0.00 O ATOM 0 H GLU A 22 8.254 29.119 -6.052 1.00 0.00 H new ATOM 0 HA GLU A 22 8.227 31.924 -6.258 1.00 0.00 H new ATOM 0 HB2 GLU A 22 7.728 31.560 -8.614 1.00 0.00 H new ATOM 0 HB3 GLU A 22 8.989 30.470 -8.074 1.00 0.00 H new ATOM 0 HG2 GLU A 22 7.398 28.600 -8.011 1.00 0.00 H new ATOM 0 HG3 GLU A 22 6.077 29.672 -8.432 1.00 0.00 H new ATOM 364 N LEU A 23 5.273 30.442 -6.120 1.00 0.00 N ATOM 365 CA LEU A 23 3.840 30.674 -5.901 1.00 0.00 C ATOM 366 C LEU A 23 3.604 31.455 -4.609 1.00 0.00 C ATOM 367 O LEU A 23 2.936 32.470 -4.654 1.00 0.00 O ATOM 368 CB LEU A 23 3.036 29.357 -5.865 1.00 0.00 C ATOM 369 CG LEU A 23 2.916 28.566 -7.198 1.00 0.00 C ATOM 370 CD1 LEU A 23 2.176 27.241 -6.963 1.00 0.00 C ATOM 371 CD2 LEU A 23 2.234 29.400 -8.306 1.00 0.00 C ATOM 0 H LEU A 23 5.545 29.460 -6.081 1.00 0.00 H new ATOM 0 HA LEU A 23 3.486 31.262 -6.748 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.492 28.702 -5.122 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.029 29.584 -5.514 1.00 0.00 H new ATOM 0 HG LEU A 23 3.924 28.345 -7.548 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.098 26.696 -7.904 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.727 26.640 -6.240 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.177 27.446 -6.578 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.171 28.809 -9.220 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.231 29.680 -7.985 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.819 30.300 -8.496 1.00 0.00 H new ATOM 383 N TYR A 24 4.179 30.970 -3.481 1.00 0.00 N ATOM 384 CA TYR A 24 4.030 31.584 -2.132 1.00 0.00 C ATOM 385 C TYR A 24 4.277 33.105 -2.180 1.00 0.00 C ATOM 386 O TYR A 24 3.423 33.872 -1.764 1.00 0.00 O ATOM 387 CB TYR A 24 4.983 30.909 -1.075 1.00 0.00 C ATOM 388 CG TYR A 24 4.347 29.795 -0.211 1.00 0.00 C ATOM 389 CD1 TYR A 24 3.322 30.087 0.694 1.00 0.00 C ATOM 390 CD2 TYR A 24 4.773 28.460 -0.291 1.00 0.00 C ATOM 391 CE1 TYR A 24 2.750 29.096 1.476 1.00 0.00 C ATOM 392 CE2 TYR A 24 4.202 27.471 0.489 1.00 0.00 C ATOM 393 CZ TYR A 24 3.193 27.792 1.368 1.00 0.00 C ATOM 394 OH TYR A 24 2.630 26.804 2.148 1.00 0.00 O ATOM 0 H TYR A 24 4.765 30.135 -3.479 1.00 0.00 H new ATOM 0 HA TYR A 24 3.001 31.411 -1.816 1.00 0.00 H new ATOM 0 HB2 TYR A 24 5.840 30.490 -1.602 1.00 0.00 H new ATOM 0 HB3 TYR A 24 5.365 31.684 -0.411 1.00 0.00 H new ATOM 0 HD1 TYR A 24 2.969 31.104 0.785 1.00 0.00 H new ATOM 0 HD2 TYR A 24 5.565 28.199 -0.977 1.00 0.00 H new ATOM 0 HE1 TYR A 24 1.959 29.343 2.169 1.00 0.00 H new ATOM 0 HE2 TYR A 24 4.547 26.451 0.409 1.00 0.00 H new ATOM 0 HH TYR A 24 3.056 25.945 1.946 1.00 0.00 H new ATOM 404 N ARG A 25 5.430 33.520 -2.729 1.00 0.00 N ATOM 405 CA ARG A 25 5.811 34.955 -2.816 1.00 0.00 C ATOM 406 C ARG A 25 5.025 35.717 -3.916 1.00 0.00 C ATOM 407 O ARG A 25 4.841 36.936 -3.814 1.00 0.00 O ATOM 408 CB ARG A 25 7.346 35.096 -2.991 1.00 0.00 C ATOM 409 CG ARG A 25 7.979 34.280 -4.145 1.00 0.00 C ATOM 410 CD ARG A 25 9.514 34.258 -4.039 1.00 0.00 C ATOM 411 NE ARG A 25 10.177 33.337 -4.976 1.00 0.00 N ATOM 412 CZ ARG A 25 11.509 33.094 -4.989 1.00 0.00 C ATOM 413 NH1 ARG A 25 12.326 33.721 -4.145 1.00 0.00 N ATOM 414 NH2 ARG A 25 12.023 32.245 -5.871 1.00 0.00 N ATOM 0 H ARG A 25 6.124 32.885 -3.124 1.00 0.00 H new ATOM 0 HA ARG A 25 5.531 35.428 -1.874 1.00 0.00 H new ATOM 0 HB2 ARG A 25 7.578 36.149 -3.149 1.00 0.00 H new ATOM 0 HB3 ARG A 25 7.826 34.800 -2.058 1.00 0.00 H new ATOM 0 HG2 ARG A 25 7.596 33.260 -4.124 1.00 0.00 H new ATOM 0 HG3 ARG A 25 7.685 34.711 -5.102 1.00 0.00 H new ATOM 0 HD2 ARG A 25 9.892 35.266 -4.211 1.00 0.00 H new ATOM 0 HD3 ARG A 25 9.791 33.983 -3.021 1.00 0.00 H new ATOM 0 HE ARG A 25 9.596 32.851 -5.659 1.00 0.00 H new ATOM 0 HH11 ARG A 25 11.951 34.394 -3.477 1.00 0.00 H new ATOM 0 HH12 ARG A 25 13.327 33.528 -4.166 1.00 0.00 H new ATOM 0 HH21 ARG A 25 11.414 31.774 -6.541 1.00 0.00 H new ATOM 0 HH22 ARG A 25 13.027 32.063 -5.879 1.00 0.00 H new ATOM 428 N ARG A 26 4.567 34.987 -4.950 1.00 0.00 N ATOM 429 CA ARG A 26 3.717 35.537 -6.040 1.00 0.00 C ATOM 430 C ARG A 26 2.332 35.956 -5.507 1.00 0.00 C ATOM 431 O ARG A 26 1.863 37.068 -5.770 1.00 0.00 O ATOM 432 CB ARG A 26 3.576 34.470 -7.160 1.00 0.00 C ATOM 433 CG ARG A 26 2.519 34.737 -8.252 1.00 0.00 C ATOM 434 CD ARG A 26 2.562 33.679 -9.375 1.00 0.00 C ATOM 435 NE ARG A 26 3.863 33.694 -10.089 1.00 0.00 N ATOM 436 CZ ARG A 26 4.685 32.642 -10.265 1.00 0.00 C ATOM 437 NH1 ARG A 26 4.430 31.469 -9.698 1.00 0.00 N ATOM 438 NH2 ARG A 26 5.787 32.780 -10.988 1.00 0.00 N ATOM 0 H ARG A 26 4.773 33.994 -5.060 1.00 0.00 H new ATOM 0 HA ARG A 26 4.192 36.430 -6.446 1.00 0.00 H new ATOM 0 HB2 ARG A 26 4.545 34.359 -7.646 1.00 0.00 H new ATOM 0 HB3 ARG A 26 3.344 33.514 -6.690 1.00 0.00 H new ATOM 0 HG2 ARG A 26 1.527 34.745 -7.801 1.00 0.00 H new ATOM 0 HG3 ARG A 26 2.683 35.726 -8.680 1.00 0.00 H new ATOM 0 HD2 ARG A 26 2.390 32.690 -8.951 1.00 0.00 H new ATOM 0 HD3 ARG A 26 1.755 33.866 -10.083 1.00 0.00 H new ATOM 0 HE ARG A 26 4.163 34.585 -10.484 1.00 0.00 H new ATOM 0 HH11 ARG A 26 3.599 31.353 -9.117 1.00 0.00 H new ATOM 0 HH12 ARG A 26 5.065 30.684 -9.843 1.00 0.00 H new ATOM 0 HH21 ARG A 26 6.011 33.681 -11.410 1.00 0.00 H new ATOM 0 HH22 ARG A 26 6.411 31.985 -11.123 1.00 0.00 H new ATOM 452 N LEU A 27 1.693 35.049 -4.746 1.00 0.00 N ATOM 453 CA LEU A 27 0.348 35.266 -4.187 1.00 0.00 C ATOM 454 C LEU A 27 0.420 36.132 -2.923 1.00 0.00 C ATOM 455 O LEU A 27 -0.534 36.845 -2.607 1.00 0.00 O ATOM 456 CB LEU A 27 -0.393 33.905 -3.977 1.00 0.00 C ATOM 457 CG LEU A 27 0.322 32.785 -3.136 1.00 0.00 C ATOM 458 CD1 LEU A 27 0.171 32.962 -1.620 1.00 0.00 C ATOM 459 CD2 LEU A 27 -0.138 31.383 -3.564 1.00 0.00 C ATOM 0 H LEU A 27 2.096 34.144 -4.502 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.254 35.826 -4.903 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.350 34.118 -3.500 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.613 33.492 -4.961 1.00 0.00 H new ATOM 0 HG LEU A 27 1.385 32.891 -3.354 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.690 32.153 -1.106 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.602 33.917 -1.321 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.886 32.942 -1.355 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.375 30.632 -2.963 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.214 31.292 -3.416 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.098 31.228 -4.617 1.00 0.00 H new ATOM 471 N HIS A 28 1.593 36.120 -2.243 1.00 0.00 N ATOM 472 CA HIS A 28 1.882 37.029 -1.108 1.00 0.00 C ATOM 473 C HIS A 28 2.320 38.428 -1.608 1.00 0.00 C ATOM 474 O HIS A 28 2.924 39.165 -0.855 1.00 0.00 O ATOM 475 CB HIS A 28 2.985 36.452 -0.160 1.00 0.00 C ATOM 476 CG HIS A 28 2.561 35.321 0.745 1.00 0.00 C ATOM 477 ND1 HIS A 28 1.346 34.813 1.037 1.00 0.00 N flip ATOM 478 CD2 HIS A 28 3.458 34.604 1.512 1.00 0.00 C flip ATOM 479 CE1 HIS A 28 1.521 33.813 1.961 1.00 0.00 C flip ATOM 480 NE2 HIS A 28 2.807 33.706 2.224 1.00 0.00 N flip ATOM 0 H HIS A 28 2.360 35.485 -2.464 1.00 0.00 H new ATOM 0 HA HIS A 28 0.954 37.121 -0.543 1.00 0.00 H new ATOM 0 HB2 HIS A 28 3.817 36.106 -0.773 1.00 0.00 H new ATOM 0 HB3 HIS A 28 3.362 37.265 0.461 1.00 0.00 H new ATOM 0 HD2 HIS A 28 4.527 34.756 1.526 1.00 0.00 H new ATOM 0 HE1 HIS A 28 0.736 33.214 2.399 1.00 0.00 H new ATOM 0 HE2 HIS A 28 3.229 33.039 2.871 1.00 0.00 H new ATOM 932 N LEU A 58 -4.719 36.545 -2.281 1.00 0.00 N ATOM 933 CA LEU A 58 -3.748 35.589 -2.835 1.00 0.00 C ATOM 934 C LEU A 58 -4.276 35.124 -4.205 1.00 0.00 C ATOM 935 O LEU A 58 -5.473 34.855 -4.330 1.00 0.00 O ATOM 936 CB LEU A 58 -3.559 34.353 -1.902 1.00 0.00 C ATOM 937 CG LEU A 58 -3.292 34.618 -0.385 1.00 0.00 C ATOM 938 CD1 LEU A 58 -3.041 33.295 0.377 1.00 0.00 C ATOM 939 CD2 LEU A 58 -2.136 35.605 -0.169 1.00 0.00 C ATOM 0 HA LEU A 58 -2.778 36.078 -2.929 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -4.453 33.734 -1.981 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.728 33.764 -2.290 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.191 35.079 0.023 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.858 33.510 1.430 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.915 32.651 0.285 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.172 32.791 -0.046 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.985 35.760 0.899 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.225 35.200 -0.609 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.376 36.556 -0.643 1.00 0.00 H new ATOM 951 N GLY A 59 -3.388 35.041 -5.215 1.00 0.00 N ATOM 952 CA GLY A 59 -3.761 34.545 -6.551 1.00 0.00 C ATOM 953 C GLY A 59 -4.319 33.117 -6.504 1.00 0.00 C ATOM 954 O GLY A 59 -3.696 32.249 -5.895 1.00 0.00 O ATOM 0 H GLY A 59 -2.408 35.311 -5.129 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -4.506 35.210 -6.989 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.888 34.571 -7.203 1.00 0.00 H new ATOM 958 N GLN A 60 -5.492 32.883 -7.141 1.00 0.00 N ATOM 959 CA GLN A 60 -6.239 31.605 -7.030 1.00 0.00 C ATOM 960 C GLN A 60 -5.486 30.428 -7.683 1.00 0.00 C ATOM 961 O GLN A 60 -5.444 29.331 -7.119 1.00 0.00 O ATOM 962 CB GLN A 60 -7.655 31.746 -7.643 1.00 0.00 C ATOM 963 CG GLN A 60 -8.558 30.505 -7.463 1.00 0.00 C ATOM 964 CD GLN A 60 -9.946 30.669 -8.076 1.00 0.00 C ATOM 965 OE1 GLN A 60 -10.170 30.323 -9.239 1.00 0.00 O ATOM 966 NE2 GLN A 60 -10.884 31.195 -7.298 1.00 0.00 N ATOM 0 H GLN A 60 -5.945 33.570 -7.743 1.00 0.00 H new ATOM 0 HA GLN A 60 -6.331 31.381 -5.967 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -8.148 32.607 -7.192 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -7.557 31.957 -8.708 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -8.070 29.641 -7.915 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -8.662 30.292 -6.399 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -10.659 31.468 -6.341 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -11.830 31.326 -7.657 1.00 0.00 H new ATOM 975 N VAL A 61 -4.894 30.671 -8.872 1.00 0.00 N ATOM 976 CA VAL A 61 -4.014 29.684 -9.554 1.00 0.00 C ATOM 977 C VAL A 61 -2.813 29.349 -8.653 1.00 0.00 C ATOM 978 O VAL A 61 -2.327 28.218 -8.651 1.00 0.00 O ATOM 979 CB VAL A 61 -3.524 30.210 -10.962 1.00 0.00 C ATOM 980 CG1 VAL A 61 -2.741 31.545 -10.847 1.00 0.00 C ATOM 981 CG2 VAL A 61 -2.694 29.137 -11.722 1.00 0.00 C ATOM 0 H VAL A 61 -5.007 31.545 -9.385 1.00 0.00 H new ATOM 0 HA VAL A 61 -4.595 28.779 -9.732 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.421 30.410 -11.548 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -2.424 31.868 -11.839 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.384 32.307 -10.405 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.864 31.399 -10.216 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.376 29.537 -12.685 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.817 28.871 -11.132 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.306 28.250 -11.883 1.00 0.00 H new ATOM 991 N GLY A 62 -2.389 30.351 -7.867 1.00 0.00 N ATOM 992 CA GLY A 62 -1.348 30.182 -6.876 1.00 0.00 C ATOM 993 C GLY A 62 -1.775 29.226 -5.772 1.00 0.00 C ATOM 994 O GLY A 62 -1.124 28.221 -5.570 1.00 0.00 O ATOM 0 H GLY A 62 -2.767 31.297 -7.911 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -0.446 29.804 -7.356 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -1.097 31.150 -6.443 1.00 0.00 H new ATOM 998 N GLN A 63 -2.914 29.551 -5.108 1.00 0.00 N ATOM 999 CA GLN A 63 -3.476 28.801 -3.950 1.00 0.00 C ATOM 1000 C GLN A 63 -3.779 27.333 -4.307 1.00 0.00 C ATOM 1001 O GLN A 63 -3.504 26.419 -3.527 1.00 0.00 O ATOM 1002 CB GLN A 63 -4.802 29.462 -3.485 1.00 0.00 C ATOM 1003 CG GLN A 63 -4.696 30.881 -2.893 1.00 0.00 C ATOM 1004 CD GLN A 63 -6.074 31.524 -2.652 1.00 0.00 C ATOM 1005 OE1 GLN A 63 -7.027 31.272 -3.391 1.00 0.00 O ATOM 1006 NE2 GLN A 63 -6.200 32.327 -1.613 1.00 0.00 N ATOM 0 H GLN A 63 -3.481 30.359 -5.367 1.00 0.00 H new ATOM 0 HA GLN A 63 -2.726 28.827 -3.160 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -5.481 29.498 -4.337 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -5.261 28.815 -2.738 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -4.149 30.838 -1.951 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -4.118 31.511 -3.569 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -5.395 32.519 -1.017 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -7.102 32.755 -1.406 1.00 0.00 H new ATOM 1015 N ASP A 64 -4.378 27.152 -5.488 1.00 0.00 N ATOM 1016 CA ASP A 64 -4.840 25.841 -5.983 1.00 0.00 C ATOM 1017 C ASP A 64 -3.645 24.934 -6.261 1.00 0.00 C ATOM 1018 O ASP A 64 -3.603 23.778 -5.822 1.00 0.00 O ATOM 1019 CB ASP A 64 -5.682 26.017 -7.272 1.00 0.00 C ATOM 1020 CG ASP A 64 -6.105 24.675 -7.910 1.00 0.00 C ATOM 1021 OD1 ASP A 64 -6.978 23.987 -7.345 1.00 0.00 O ATOM 1022 OD2 ASP A 64 -5.537 24.287 -8.955 1.00 0.00 O ATOM 0 H ASP A 64 -4.560 27.917 -6.138 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.464 25.381 -5.217 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -6.574 26.598 -7.039 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -5.107 26.592 -7.998 1.00 0.00 H new ATOM 1027 N GLU A 65 -2.676 25.496 -6.996 1.00 0.00 N ATOM 1028 CA GLU A 65 -1.444 24.796 -7.358 1.00 0.00 C ATOM 1029 C GLU A 65 -0.558 24.599 -6.114 1.00 0.00 C ATOM 1030 O GLU A 65 0.160 23.620 -6.025 1.00 0.00 O ATOM 1031 CB GLU A 65 -0.701 25.576 -8.471 1.00 0.00 C ATOM 1032 CG GLU A 65 0.451 24.803 -9.140 1.00 0.00 C ATOM 1033 CD GLU A 65 1.131 25.559 -10.301 1.00 0.00 C ATOM 1034 OE1 GLU A 65 0.479 25.749 -11.352 1.00 0.00 O ATOM 1035 OE2 GLU A 65 2.325 25.925 -10.192 1.00 0.00 O ATOM 0 H GLU A 65 -2.728 26.449 -7.355 1.00 0.00 H new ATOM 0 HA GLU A 65 -1.690 23.808 -7.747 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -1.421 25.863 -9.237 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -0.303 26.498 -8.046 1.00 0.00 H new ATOM 0 HG2 GLU A 65 1.202 24.568 -8.386 1.00 0.00 H new ATOM 0 HG3 GLU A 65 0.067 23.854 -9.515 1.00 0.00 H new ATOM 1042 N LEU A 66 -0.681 25.525 -5.144 1.00 0.00 N ATOM 1043 CA LEU A 66 0.063 25.499 -3.866 1.00 0.00 C ATOM 1044 C LEU A 66 -0.351 24.261 -3.055 1.00 0.00 C ATOM 1045 O LEU A 66 0.492 23.554 -2.501 1.00 0.00 O ATOM 1046 CB LEU A 66 -0.256 26.787 -3.046 1.00 0.00 C ATOM 1047 CG LEU A 66 0.827 27.308 -2.057 1.00 0.00 C ATOM 1048 CD1 LEU A 66 2.106 27.723 -2.804 1.00 0.00 C ATOM 1049 CD2 LEU A 66 0.262 28.478 -1.217 1.00 0.00 C ATOM 0 H LEU A 66 -1.309 26.325 -5.225 1.00 0.00 H new ATOM 0 HA LEU A 66 1.132 25.458 -4.073 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -0.476 27.587 -3.753 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -1.168 26.604 -2.477 1.00 0.00 H new ATOM 0 HG LEU A 66 1.096 26.498 -1.379 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.845 28.083 -2.088 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.509 26.864 -3.341 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.872 28.517 -3.513 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.028 28.835 -0.528 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.037 29.290 -1.879 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.603 28.134 -0.650 1.00 0.00 H new ATOM 1061 N ARG A 67 -1.680 24.030 -3.016 1.00 0.00 N ATOM 1062 CA ARG A 67 -2.293 22.909 -2.285 1.00 0.00 C ATOM 1063 C ARG A 67 -2.073 21.587 -3.042 1.00 0.00 C ATOM 1064 O ARG A 67 -1.992 20.523 -2.426 1.00 0.00 O ATOM 1065 CB ARG A 67 -3.807 23.167 -2.056 1.00 0.00 C ATOM 1066 CG ARG A 67 -4.480 22.154 -1.103 1.00 0.00 C ATOM 1067 CD ARG A 67 -5.966 22.438 -0.869 1.00 0.00 C ATOM 1068 NE ARG A 67 -6.534 21.547 0.157 1.00 0.00 N ATOM 1069 CZ ARG A 67 -7.710 21.726 0.771 1.00 0.00 C ATOM 1070 NH1 ARG A 67 -8.510 22.736 0.427 1.00 0.00 N ATOM 1071 NH2 ARG A 67 -8.093 20.872 1.710 1.00 0.00 N ATOM 0 H ARG A 67 -2.359 24.622 -3.495 1.00 0.00 H new ATOM 0 HA ARG A 67 -1.811 22.829 -1.310 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -3.937 24.171 -1.653 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -4.319 23.141 -3.018 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -4.369 21.150 -1.514 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -3.960 22.166 -0.145 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -6.095 23.476 -0.562 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -6.513 22.312 -1.804 1.00 0.00 H new ATOM 0 HE ARG A 67 -5.987 20.727 0.421 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -8.228 23.382 -0.311 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -9.404 22.863 0.902 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -7.493 20.086 1.960 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -8.988 21.001 2.183 1.00 0.00 H new ATOM 1085 N ALA A 68 -1.973 21.682 -4.382 1.00 0.00 N ATOM 1086 CA ALA A 68 -1.650 20.538 -5.256 1.00 0.00 C ATOM 1087 C ALA A 68 -0.212 20.059 -4.996 1.00 0.00 C ATOM 1088 O ALA A 68 0.051 18.855 -4.934 1.00 0.00 O ATOM 1089 CB ALA A 68 -1.841 20.930 -6.727 1.00 0.00 C ATOM 0 H ALA A 68 -2.114 22.556 -4.889 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.327 19.714 -5.030 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.600 20.079 -7.364 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -2.877 21.226 -6.893 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.182 21.763 -6.970 1.00 0.00 H new ATOM 1095 N ILE A 69 0.702 21.032 -4.827 1.00 0.00 N ATOM 1096 CA ILE A 69 2.113 20.783 -4.482 1.00 0.00 C ATOM 1097 C ILE A 69 2.216 20.286 -3.035 1.00 0.00 C ATOM 1098 O ILE A 69 3.020 19.417 -2.733 1.00 0.00 O ATOM 1099 CB ILE A 69 2.970 22.089 -4.670 1.00 0.00 C ATOM 1100 CG1 ILE A 69 2.994 22.521 -6.169 1.00 0.00 C ATOM 1101 CG2 ILE A 69 4.409 21.915 -4.129 1.00 0.00 C ATOM 1102 CD1 ILE A 69 3.535 23.911 -6.417 1.00 0.00 C ATOM 0 H ILE A 69 0.479 22.022 -4.927 1.00 0.00 H new ATOM 0 HA ILE A 69 2.505 20.017 -5.151 1.00 0.00 H new ATOM 0 HB ILE A 69 2.495 22.878 -4.087 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.596 21.806 -6.730 1.00 0.00 H new ATOM 0 HG13 ILE A 69 1.980 22.464 -6.566 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.968 22.839 -4.278 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.372 21.681 -3.065 1.00 0.00 H new ATOM 0 HG23 ILE A 69 4.903 21.103 -4.662 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.514 24.124 -7.486 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.921 24.640 -5.889 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.561 23.972 -6.055 1.00 0.00 H new ATOM 1114 N ASP A 70 1.379 20.847 -2.158 1.00 0.00 N ATOM 1115 CA ASP A 70 1.293 20.436 -0.747 1.00 0.00 C ATOM 1116 C ASP A 70 0.820 18.972 -0.645 1.00 0.00 C ATOM 1117 O ASP A 70 1.287 18.222 0.209 1.00 0.00 O ATOM 1118 CB ASP A 70 0.329 21.387 0.009 1.00 0.00 C ATOM 1119 CG ASP A 70 0.113 21.020 1.490 1.00 0.00 C ATOM 1120 OD1 ASP A 70 1.083 21.083 2.275 1.00 0.00 O ATOM 1121 OD2 ASP A 70 -1.032 20.686 1.881 1.00 0.00 O ATOM 0 H ASP A 70 0.738 21.602 -2.404 1.00 0.00 H new ATOM 0 HA ASP A 70 2.279 20.501 -0.288 1.00 0.00 H new ATOM 0 HB2 ASP A 70 0.719 22.403 -0.049 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -0.636 21.387 -0.498 1.00 0.00 H new ATOM 1126 N ALA A 71 -0.094 18.586 -1.556 1.00 0.00 N ATOM 1127 CA ALA A 71 -0.628 17.214 -1.656 1.00 0.00 C ATOM 1128 C ALA A 71 0.394 16.268 -2.308 1.00 0.00 C ATOM 1129 O ALA A 71 0.471 15.089 -1.962 1.00 0.00 O ATOM 1130 CB ALA A 71 -1.937 17.213 -2.459 1.00 0.00 C ATOM 0 H ALA A 71 -0.486 19.223 -2.249 1.00 0.00 H new ATOM 0 HA ALA A 71 -0.828 16.854 -0.647 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.322 16.195 -2.526 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -2.671 17.846 -1.960 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -1.749 17.597 -3.462 1.00 0.00 H new ATOM 1136 N ALA A 72 1.173 16.808 -3.257 1.00 0.00 N ATOM 1137 CA ALA A 72 2.194 16.051 -3.994 1.00 0.00 C ATOM 1138 C ALA A 72 3.368 15.690 -3.078 1.00 0.00 C ATOM 1139 O ALA A 72 3.714 14.517 -2.954 1.00 0.00 O ATOM 1140 CB ALA A 72 2.667 16.853 -5.208 1.00 0.00 C ATOM 0 H ALA A 72 1.112 17.787 -3.536 1.00 0.00 H new ATOM 0 HA ALA A 72 1.753 15.119 -4.349 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.424 16.284 -5.748 1.00 0.00 H new ATOM 0 HB2 ALA A 72 1.821 17.048 -5.867 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.094 17.799 -4.875 1.00 0.00 H new ATOM 1146 N LEU A 73 3.939 16.720 -2.425 1.00 0.00 N ATOM 1147 CA LEU A 73 5.037 16.583 -1.443 1.00 0.00 C ATOM 1148 C LEU A 73 4.600 15.738 -0.231 1.00 0.00 C ATOM 1149 O LEU A 73 5.425 15.040 0.370 1.00 0.00 O ATOM 1150 CB LEU A 73 5.525 17.982 -0.971 1.00 0.00 C ATOM 1151 CG LEU A 73 6.164 18.900 -2.065 1.00 0.00 C ATOM 1152 CD1 LEU A 73 6.559 20.271 -1.482 1.00 0.00 C ATOM 1153 CD2 LEU A 73 7.372 18.222 -2.745 1.00 0.00 C ATOM 0 H LEU A 73 3.647 17.687 -2.566 1.00 0.00 H new ATOM 0 HA LEU A 73 5.862 16.069 -1.937 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.678 18.510 -0.534 1.00 0.00 H new ATOM 0 HB3 LEU A 73 6.256 17.839 -0.175 1.00 0.00 H new ATOM 0 HG LEU A 73 5.406 19.064 -2.831 1.00 0.00 H new ATOM 0 HD11 LEU A 73 7.000 20.886 -2.266 1.00 0.00 H new ATOM 0 HD12 LEU A 73 5.673 20.767 -1.087 1.00 0.00 H new ATOM 0 HD13 LEU A 73 7.284 20.130 -0.680 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.788 18.891 -3.498 1.00 0.00 H new ATOM 0 HD22 LEU A 73 8.133 18.000 -1.997 1.00 0.00 H new ATOM 0 HD23 LEU A 73 7.049 17.296 -3.221 1.00 0.00 H new ATOM 1165 N ALA A 74 3.296 15.825 0.119 1.00 0.00 N ATOM 1166 CA ALA A 74 2.683 14.965 1.151 1.00 0.00 C ATOM 1167 C ALA A 74 2.794 13.494 0.746 1.00 0.00 C ATOM 1168 O ALA A 74 3.264 12.671 1.521 1.00 0.00 O ATOM 1169 CB ALA A 74 1.211 15.334 1.386 1.00 0.00 C ATOM 0 H ALA A 74 2.646 16.488 -0.303 1.00 0.00 H new ATOM 0 HA ALA A 74 3.225 15.125 2.083 1.00 0.00 H new ATOM 0 HB1 ALA A 74 0.790 14.682 2.151 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.144 16.371 1.716 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.653 15.212 0.458 1.00 0.00 H new ATOM 1175 N ARG A 75 2.388 13.205 -0.508 1.00 0.00 N ATOM 1176 CA ARG A 75 2.448 11.852 -1.096 1.00 0.00 C ATOM 1177 C ARG A 75 3.899 11.344 -1.220 1.00 0.00 C ATOM 1178 O ARG A 75 4.127 10.149 -1.133 1.00 0.00 O ATOM 1179 CB ARG A 75 1.757 11.821 -2.488 1.00 0.00 C ATOM 1180 CG ARG A 75 0.220 11.956 -2.460 1.00 0.00 C ATOM 1181 CD ARG A 75 -0.396 12.002 -3.875 1.00 0.00 C ATOM 1182 NE ARG A 75 0.113 13.147 -4.662 1.00 0.00 N ATOM 1183 CZ ARG A 75 -0.071 13.328 -5.984 1.00 0.00 C ATOM 1184 NH1 ARG A 75 -0.761 12.446 -6.707 1.00 0.00 N ATOM 1185 NH2 ARG A 75 0.422 14.408 -6.578 1.00 0.00 N ATOM 0 H ARG A 75 2.008 13.907 -1.143 1.00 0.00 H new ATOM 0 HA ARG A 75 1.913 11.187 -0.418 1.00 0.00 H new ATOM 0 HB2 ARG A 75 2.166 12.627 -3.097 1.00 0.00 H new ATOM 0 HB3 ARG A 75 2.015 10.885 -2.983 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -0.205 11.117 -1.909 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -0.052 12.863 -1.919 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -0.171 11.073 -4.399 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -1.481 12.069 -3.796 1.00 0.00 H new ATOM 0 HE ARG A 75 0.647 13.858 -4.162 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -1.158 11.620 -6.260 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -0.892 12.597 -7.707 1.00 0.00 H new ATOM 0 HH21 ARG A 75 0.939 15.098 -6.033 1.00 0.00 H new ATOM 0 HH22 ARG A 75 0.284 14.547 -7.579 1.00 0.00 H new ATOM 1199 N ILE A 76 4.870 12.252 -1.424 1.00 0.00 N ATOM 1200 CA ILE A 76 6.305 11.870 -1.492 1.00 0.00 C ATOM 1201 C ILE A 76 6.791 11.426 -0.100 1.00 0.00 C ATOM 1202 O ILE A 76 7.466 10.400 0.043 1.00 0.00 O ATOM 1203 CB ILE A 76 7.202 13.041 -2.035 1.00 0.00 C ATOM 1204 CG1 ILE A 76 6.673 13.500 -3.424 1.00 0.00 C ATOM 1205 CG2 ILE A 76 8.695 12.613 -2.114 1.00 0.00 C ATOM 1206 CD1 ILE A 76 7.351 14.706 -4.035 1.00 0.00 C ATOM 0 H ILE A 76 4.696 13.250 -1.545 1.00 0.00 H new ATOM 0 HA ILE A 76 6.397 11.041 -2.194 1.00 0.00 H new ATOM 0 HB ILE A 76 7.145 13.881 -1.342 1.00 0.00 H new ATOM 0 HG12 ILE A 76 6.768 12.666 -4.119 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.609 13.717 -3.330 1.00 0.00 H new ATOM 0 HG21 ILE A 76 9.292 13.443 -2.493 1.00 0.00 H new ATOM 0 HG22 ILE A 76 9.047 12.337 -1.120 1.00 0.00 H new ATOM 0 HG23 ILE A 76 8.794 11.759 -2.784 1.00 0.00 H new ATOM 0 HD11 ILE A 76 6.896 14.929 -5.000 1.00 0.00 H new ATOM 0 HD12 ILE A 76 7.235 15.564 -3.372 1.00 0.00 H new ATOM 0 HD13 ILE A 76 8.412 14.496 -4.173 1.00 0.00 H new ATOM 1218 N ALA A 77 6.384 12.198 0.921 1.00 0.00 N ATOM 1219 CA ALA A 77 6.669 11.900 2.337 1.00 0.00 C ATOM 1220 C ALA A 77 5.894 10.644 2.805 1.00 0.00 C ATOM 1221 O ALA A 77 6.312 9.958 3.740 1.00 0.00 O ATOM 1222 CB ALA A 77 6.325 13.125 3.206 1.00 0.00 C ATOM 0 H ALA A 77 5.844 13.053 0.787 1.00 0.00 H new ATOM 0 HA ALA A 77 7.732 11.685 2.446 1.00 0.00 H new ATOM 0 HB1 ALA A 77 6.537 12.901 4.251 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.926 13.977 2.888 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.268 13.365 3.094 1.00 0.00 H new ATOM 1228 N SER A 78 4.767 10.362 2.126 1.00 0.00 N ATOM 1229 CA SER A 78 3.905 9.198 2.391 1.00 0.00 C ATOM 1230 C SER A 78 4.293 7.971 1.532 1.00 0.00 C ATOM 1231 O SER A 78 3.747 6.880 1.732 1.00 0.00 O ATOM 1232 CB SER A 78 2.442 9.608 2.125 1.00 0.00 C ATOM 1233 OG SER A 78 2.026 10.650 3.001 1.00 0.00 O ATOM 0 H SER A 78 4.425 10.948 1.364 1.00 0.00 H new ATOM 0 HA SER A 78 4.034 8.896 3.431 1.00 0.00 H new ATOM 0 HB2 SER A 78 2.337 9.937 1.091 1.00 0.00 H new ATOM 0 HB3 SER A 78 1.791 8.743 2.252 1.00 0.00 H new ATOM 0 HG SER A 78 2.362 11.509 2.670 1.00 0.00 H new ATOM 1239 N GLY A 79 5.225 8.165 0.575 1.00 0.00 N ATOM 1240 CA GLY A 79 5.718 7.080 -0.292 1.00 0.00 C ATOM 1241 C GLY A 79 4.679 6.570 -1.293 1.00 0.00 C ATOM 1242 O GLY A 79 4.755 5.423 -1.750 1.00 0.00 O ATOM 0 H GLY A 79 5.652 9.071 0.384 1.00 0.00 H new ATOM 0 HA2 GLY A 79 6.593 7.433 -0.838 1.00 0.00 H new ATOM 0 HA3 GLY A 79 6.046 6.249 0.332 1.00 0.00 H new ATOM 1246 N THR A 80 3.697 7.426 -1.604 1.00 0.00 N ATOM 1247 CA THR A 80 2.599 7.133 -2.535 1.00 0.00 C ATOM 1248 C THR A 80 2.456 8.272 -3.581 1.00 0.00 C ATOM 1249 O THR A 80 1.356 8.538 -4.090 1.00 0.00 O ATOM 1250 CB THR A 80 1.269 6.923 -1.726 1.00 0.00 C ATOM 1251 OG1 THR A 80 0.193 6.544 -2.604 1.00 0.00 O ATOM 1252 CG2 THR A 80 0.861 8.175 -0.919 1.00 0.00 C ATOM 0 H THR A 80 3.642 8.364 -1.206 1.00 0.00 H new ATOM 0 HA THR A 80 2.819 6.215 -3.081 1.00 0.00 H new ATOM 0 HB THR A 80 1.464 6.120 -1.015 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.230 7.086 -3.420 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.064 7.974 -0.379 1.00 0.00 H new ATOM 0 HG22 THR A 80 1.649 8.422 -0.208 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.710 9.013 -1.599 1.00 0.00 H new ATOM 1260 N PHE A 81 3.579 8.954 -3.906 1.00 0.00 N ATOM 1261 CA PHE A 81 3.611 9.930 -5.013 1.00 0.00 C ATOM 1262 C PHE A 81 3.347 9.226 -6.350 1.00 0.00 C ATOM 1263 O PHE A 81 3.719 8.059 -6.540 1.00 0.00 O ATOM 1264 CB PHE A 81 4.951 10.705 -5.067 1.00 0.00 C ATOM 1265 CG PHE A 81 5.016 11.756 -6.191 1.00 0.00 C ATOM 1266 CD1 PHE A 81 4.357 12.981 -6.059 1.00 0.00 C ATOM 1267 CD2 PHE A 81 5.703 11.504 -7.387 1.00 0.00 C ATOM 1268 CE1 PHE A 81 4.391 13.918 -7.072 1.00 0.00 C ATOM 1269 CE2 PHE A 81 5.727 12.443 -8.399 1.00 0.00 C ATOM 1270 CZ PHE A 81 5.075 13.647 -8.242 1.00 0.00 C ATOM 0 H PHE A 81 4.468 8.845 -3.419 1.00 0.00 H new ATOM 0 HA PHE A 81 2.822 10.659 -4.829 1.00 0.00 H new ATOM 0 HB2 PHE A 81 5.113 11.200 -4.109 1.00 0.00 H new ATOM 0 HB3 PHE A 81 5.766 9.994 -5.200 1.00 0.00 H new ATOM 0 HD1 PHE A 81 3.813 13.198 -5.151 1.00 0.00 H new ATOM 0 HD2 PHE A 81 6.219 10.565 -7.518 1.00 0.00 H new ATOM 0 HE1 PHE A 81 3.883 14.863 -6.950 1.00 0.00 H new ATOM 0 HE2 PHE A 81 6.258 12.233 -9.316 1.00 0.00 H new ATOM 0 HZ PHE A 81 5.099 14.380 -9.035 1.00 0.00 H new ATOM 1280 N GLY A 82 2.719 9.970 -7.273 1.00 0.00 N ATOM 1281 CA GLY A 82 2.304 9.432 -8.550 1.00 0.00 C ATOM 1282 C GLY A 82 1.155 8.459 -8.398 1.00 0.00 C ATOM 1283 O GLY A 82 1.104 7.444 -9.074 1.00 0.00 O ATOM 0 H GLY A 82 2.491 10.956 -7.143 1.00 0.00 H new ATOM 0 HA2 GLY A 82 2.006 10.247 -9.209 1.00 0.00 H new ATOM 0 HA3 GLY A 82 3.147 8.929 -9.025 1.00 0.00 H new ATOM 1287 N THR A 83 0.238 8.775 -7.474 1.00 0.00 N ATOM 1288 CA THR A 83 -0.988 8.003 -7.251 1.00 0.00 C ATOM 1289 C THR A 83 -2.202 8.955 -7.253 1.00 0.00 C ATOM 1290 O THR A 83 -2.220 9.948 -6.511 1.00 0.00 O ATOM 1291 CB THR A 83 -0.918 7.219 -5.899 1.00 0.00 C ATOM 1292 OG1 THR A 83 0.229 6.349 -5.895 1.00 0.00 O ATOM 1293 CG2 THR A 83 -2.190 6.392 -5.621 1.00 0.00 C ATOM 0 H THR A 83 0.329 9.581 -6.856 1.00 0.00 H new ATOM 0 HA THR A 83 -1.095 7.276 -8.056 1.00 0.00 H new ATOM 0 HB THR A 83 -0.833 7.963 -5.107 1.00 0.00 H new ATOM 0 HG1 THR A 83 0.931 6.736 -5.331 1.00 0.00 H new ATOM 0 HG21 THR A 83 -2.084 5.870 -4.670 1.00 0.00 H new ATOM 0 HG22 THR A 83 -3.053 7.056 -5.576 1.00 0.00 H new ATOM 0 HG23 THR A 83 -2.333 5.665 -6.420 1.00 0.00 H new ATOM 1301 N CYS A 84 -3.186 8.671 -8.133 1.00 0.00 N ATOM 1302 CA CYS A 84 -4.496 9.334 -8.127 1.00 0.00 C ATOM 1303 C CYS A 84 -5.233 8.906 -6.864 1.00 0.00 C ATOM 1304 O CYS A 84 -5.602 7.738 -6.746 1.00 0.00 O ATOM 1305 CB CYS A 84 -5.325 8.952 -9.390 1.00 0.00 C ATOM 1306 SG CYS A 84 -6.883 9.889 -9.618 1.00 0.00 S ATOM 0 H CYS A 84 -3.088 7.971 -8.869 1.00 0.00 H new ATOM 0 HA CYS A 84 -4.359 10.415 -8.143 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -4.701 9.097 -10.272 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -5.563 7.890 -9.340 1.00 0.00 H new ATOM 0 HG CYS A 84 -7.849 9.064 -9.896 1.00 0.00 H new ATOM 1311 N VAL A 85 -5.367 9.841 -5.905 1.00 0.00 N ATOM 1312 CA VAL A 85 -6.113 9.627 -4.644 1.00 0.00 C ATOM 1313 C VAL A 85 -7.609 9.343 -4.921 1.00 0.00 C ATOM 1314 O VAL A 85 -8.277 8.621 -4.176 1.00 0.00 O ATOM 1315 CB VAL A 85 -5.959 10.874 -3.684 1.00 0.00 C ATOM 1316 CG1 VAL A 85 -4.481 11.073 -3.259 1.00 0.00 C ATOM 1317 CG2 VAL A 85 -6.524 12.168 -4.333 1.00 0.00 C ATOM 0 H VAL A 85 -4.959 10.773 -5.981 1.00 0.00 H new ATOM 0 HA VAL A 85 -5.687 8.753 -4.150 1.00 0.00 H new ATOM 0 HB VAL A 85 -6.546 10.668 -2.789 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -4.405 11.937 -2.599 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -4.131 10.184 -2.734 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -3.867 11.237 -4.144 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -6.401 13.004 -3.644 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -5.985 12.377 -5.257 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -7.583 12.032 -4.553 1.00 0.00 H new ATOM 1327 N LYS A 86 -8.091 9.898 -6.045 1.00 0.00 N ATOM 1328 CA LYS A 86 -9.494 9.804 -6.488 1.00 0.00 C ATOM 1329 C LYS A 86 -9.781 8.456 -7.199 1.00 0.00 C ATOM 1330 O LYS A 86 -10.926 8.151 -7.532 1.00 0.00 O ATOM 1331 CB LYS A 86 -9.784 11.004 -7.433 1.00 0.00 C ATOM 1332 CG LYS A 86 -11.251 11.479 -7.469 1.00 0.00 C ATOM 1333 CD LYS A 86 -11.447 12.685 -8.422 1.00 0.00 C ATOM 1334 CE LYS A 86 -12.815 13.376 -8.258 1.00 0.00 C ATOM 1335 NZ LYS A 86 -13.957 12.450 -8.488 1.00 0.00 N ATOM 0 H LYS A 86 -7.506 10.435 -6.685 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.152 9.842 -5.620 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -9.156 11.842 -7.131 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -9.484 10.729 -8.444 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -11.891 10.656 -7.789 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -11.567 11.756 -6.463 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -10.656 13.413 -8.242 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -11.340 12.346 -9.452 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -12.888 13.794 -7.254 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -12.882 14.210 -8.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -14.852 12.965 -8.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -13.906 12.070 -9.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -13.912 11.667 -7.805 1.00 0.00 H new ATOM 1349 N CYS A 87 -8.715 7.680 -7.450 1.00 0.00 N ATOM 1350 CA CYS A 87 -8.800 6.325 -8.058 1.00 0.00 C ATOM 1351 C CYS A 87 -8.172 5.251 -7.147 1.00 0.00 C ATOM 1352 O CYS A 87 -8.534 4.075 -7.237 1.00 0.00 O ATOM 1353 CB CYS A 87 -8.099 6.304 -9.437 1.00 0.00 C ATOM 1354 SG CYS A 87 -9.003 7.129 -10.768 1.00 0.00 S ATOM 0 H CYS A 87 -7.760 7.969 -7.239 1.00 0.00 H new ATOM 0 HA CYS A 87 -9.858 6.093 -8.183 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -7.121 6.774 -9.337 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -7.927 5.267 -9.724 1.00 0.00 H new ATOM 0 HG CYS A 87 -8.171 7.807 -11.502 1.00 0.00 H new ATOM 1359 N GLY A 88 -7.247 5.678 -6.269 1.00 0.00 N ATOM 1360 CA GLY A 88 -6.389 4.763 -5.509 1.00 0.00 C ATOM 1361 C GLY A 88 -5.465 3.919 -6.401 1.00 0.00 C ATOM 1362 O GLY A 88 -5.363 2.704 -6.208 1.00 0.00 O ATOM 0 H GLY A 88 -7.077 6.664 -6.070 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -5.782 5.340 -4.811 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -7.015 4.098 -4.914 1.00 0.00 H new ATOM 1366 N LYS A 89 -4.789 4.570 -7.385 1.00 0.00 N ATOM 1367 CA LYS A 89 -3.872 3.864 -8.336 1.00 0.00 C ATOM 1368 C LYS A 89 -2.865 4.823 -9.014 1.00 0.00 C ATOM 1369 O LYS A 89 -3.001 6.036 -8.929 1.00 0.00 O ATOM 1370 CB LYS A 89 -4.666 3.088 -9.430 1.00 0.00 C ATOM 1371 CG LYS A 89 -5.563 3.954 -10.341 1.00 0.00 C ATOM 1372 CD LYS A 89 -5.900 3.315 -11.721 1.00 0.00 C ATOM 1373 CE LYS A 89 -6.450 1.868 -11.653 1.00 0.00 C ATOM 1374 NZ LYS A 89 -5.376 0.848 -11.487 1.00 0.00 N ATOM 0 H LYS A 89 -4.857 5.575 -7.544 1.00 0.00 H new ATOM 0 HA LYS A 89 -3.308 3.154 -7.731 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -3.955 2.549 -10.056 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -5.290 2.341 -8.940 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -6.495 4.164 -9.816 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -5.069 4.911 -10.510 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -6.633 3.943 -12.227 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -5.000 3.318 -12.336 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -7.151 1.789 -10.822 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -7.010 1.654 -12.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -5.657 -0.032 -11.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -4.493 1.203 -11.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -5.228 0.661 -10.475 1.00 0.00 H new ATOM 1388 N ARG A 90 -1.895 4.219 -9.737 1.00 0.00 N ATOM 1389 CA ARG A 90 -0.730 4.900 -10.346 1.00 0.00 C ATOM 1390 C ARG A 90 -1.124 5.916 -11.446 1.00 0.00 C ATOM 1391 O ARG A 90 -2.070 5.691 -12.208 1.00 0.00 O ATOM 1392 CB ARG A 90 0.219 3.822 -10.947 1.00 0.00 C ATOM 1393 CG ARG A 90 1.512 4.350 -11.611 1.00 0.00 C ATOM 1394 CD ARG A 90 2.474 5.017 -10.617 1.00 0.00 C ATOM 1395 NE ARG A 90 2.924 4.077 -9.581 1.00 0.00 N ATOM 1396 CZ ARG A 90 3.104 4.364 -8.285 1.00 0.00 C ATOM 1397 NH1 ARG A 90 2.872 5.577 -7.803 1.00 0.00 N ATOM 1398 NH2 ARG A 90 3.517 3.415 -7.471 1.00 0.00 N ATOM 0 H ARG A 90 -1.901 3.215 -9.918 1.00 0.00 H new ATOM 0 HA ARG A 90 -0.234 5.469 -9.560 1.00 0.00 H new ATOM 0 HB2 ARG A 90 0.499 3.130 -10.153 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -0.338 3.249 -11.688 1.00 0.00 H new ATOM 0 HG2 ARG A 90 2.024 3.523 -12.103 1.00 0.00 H new ATOM 0 HG3 ARG A 90 1.247 5.068 -12.387 1.00 0.00 H new ATOM 0 HD2 ARG A 90 3.338 5.408 -11.154 1.00 0.00 H new ATOM 0 HD3 ARG A 90 1.980 5.867 -10.147 1.00 0.00 H new ATOM 0 HE ARG A 90 3.117 3.120 -9.875 1.00 0.00 H new ATOM 0 HH11 ARG A 90 2.548 6.319 -8.423 1.00 0.00 H new ATOM 0 HH12 ARG A 90 3.017 5.768 -6.812 1.00 0.00 H new ATOM 0 HH21 ARG A 90 3.695 2.477 -7.830 1.00 0.00 H new ATOM 0 HH22 ARG A 90 3.659 3.618 -6.481 1.00 0.00 H new ATOM 1412 N ILE A 91 -0.362 7.023 -11.502 1.00 0.00 N ATOM 1413 CA ILE A 91 -0.432 8.052 -12.560 1.00 0.00 C ATOM 1414 C ILE A 91 0.577 7.694 -13.671 1.00 0.00 C ATOM 1415 O ILE A 91 1.630 7.107 -13.385 1.00 0.00 O ATOM 1416 CB ILE A 91 -0.061 9.491 -12.001 1.00 0.00 C ATOM 1417 CG1 ILE A 91 -0.902 9.861 -10.750 1.00 0.00 C ATOM 1418 CG2 ILE A 91 -0.214 10.587 -13.079 1.00 0.00 C ATOM 1419 CD1 ILE A 91 -2.362 10.062 -11.019 1.00 0.00 C ATOM 0 H ILE A 91 0.340 7.234 -10.793 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.453 8.076 -12.940 1.00 0.00 H new ATOM 0 HB ILE A 91 0.988 9.441 -11.709 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -0.788 9.073 -10.005 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.497 10.774 -10.313 1.00 0.00 H new ATOM 0 HG21 ILE A 91 0.050 11.555 -12.654 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.446 10.367 -13.918 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -1.247 10.613 -13.427 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -2.871 10.317 -10.090 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -2.492 10.871 -11.738 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -2.787 9.144 -11.425 1.00 0.00 H new ATOM 1431 N SER A 92 0.265 8.075 -14.919 1.00 0.00 N ATOM 1432 CA SER A 92 1.189 7.905 -16.053 1.00 0.00 C ATOM 1433 C SER A 92 2.404 8.836 -15.863 1.00 0.00 C ATOM 1434 O SER A 92 2.244 9.977 -15.409 1.00 0.00 O ATOM 1435 CB SER A 92 0.471 8.211 -17.386 1.00 0.00 C ATOM 1436 OG SER A 92 -0.697 7.417 -17.539 1.00 0.00 O ATOM 0 H SER A 92 -0.625 8.505 -15.170 1.00 0.00 H new ATOM 0 HA SER A 92 1.532 6.871 -16.087 1.00 0.00 H new ATOM 0 HB2 SER A 92 0.203 9.267 -17.423 1.00 0.00 H new ATOM 0 HB3 SER A 92 1.150 8.026 -18.218 1.00 0.00 H new ATOM 0 HG SER A 92 -1.131 7.634 -18.391 1.00 0.00 H new ATOM 1442 N GLU A 93 3.607 8.343 -16.205 1.00 0.00 N ATOM 1443 CA GLU A 93 4.862 9.110 -16.051 1.00 0.00 C ATOM 1444 C GLU A 93 4.817 10.424 -16.862 1.00 0.00 C ATOM 1445 O GLU A 93 5.330 11.455 -16.417 1.00 0.00 O ATOM 1446 CB GLU A 93 6.072 8.254 -16.499 1.00 0.00 C ATOM 1447 CG GLU A 93 7.438 8.959 -16.341 1.00 0.00 C ATOM 1448 CD GLU A 93 8.610 8.135 -16.887 1.00 0.00 C ATOM 1449 OE1 GLU A 93 9.103 7.237 -16.174 1.00 0.00 O ATOM 1450 OE2 GLU A 93 9.044 8.385 -18.040 1.00 0.00 O ATOM 0 H GLU A 93 3.740 7.409 -16.593 1.00 0.00 H new ATOM 0 HA GLU A 93 4.973 9.364 -14.997 1.00 0.00 H new ATOM 0 HB2 GLU A 93 6.083 7.330 -15.921 1.00 0.00 H new ATOM 0 HB3 GLU A 93 5.938 7.975 -17.544 1.00 0.00 H new ATOM 0 HG2 GLU A 93 7.406 9.919 -16.857 1.00 0.00 H new ATOM 0 HG3 GLU A 93 7.611 9.170 -15.286 1.00 0.00 H new ATOM 1457 N ASP A 94 4.180 10.358 -18.050 1.00 0.00 N ATOM 1458 CA ASP A 94 4.028 11.509 -18.962 1.00 0.00 C ATOM 1459 C ASP A 94 3.180 12.613 -18.326 1.00 0.00 C ATOM 1460 O ASP A 94 3.445 13.808 -18.518 1.00 0.00 O ATOM 1461 CB ASP A 94 3.414 11.073 -20.313 1.00 0.00 C ATOM 1462 CG ASP A 94 4.226 9.970 -21.007 1.00 0.00 C ATOM 1463 OD1 ASP A 94 5.451 10.148 -21.196 1.00 0.00 O ATOM 1464 OD2 ASP A 94 3.644 8.932 -21.377 1.00 0.00 O ATOM 0 H ASP A 94 3.755 9.501 -18.404 1.00 0.00 H new ATOM 0 HA ASP A 94 5.025 11.909 -19.150 1.00 0.00 H new ATOM 0 HB2 ASP A 94 2.396 10.719 -20.147 1.00 0.00 H new ATOM 0 HB3 ASP A 94 3.347 11.938 -20.973 1.00 0.00 H new ATOM 1469 N ARG A 95 2.171 12.193 -17.554 1.00 0.00 N ATOM 1470 CA ARG A 95 1.326 13.111 -16.796 1.00 0.00 C ATOM 1471 C ARG A 95 2.153 13.819 -15.706 1.00 0.00 C ATOM 1472 O ARG A 95 2.015 15.013 -15.516 1.00 0.00 O ATOM 1473 CB ARG A 95 0.120 12.363 -16.162 1.00 0.00 C ATOM 1474 CG ARG A 95 -0.930 13.281 -15.462 1.00 0.00 C ATOM 1475 CD ARG A 95 -1.968 13.885 -16.429 1.00 0.00 C ATOM 1476 NE ARG A 95 -1.351 14.593 -17.574 1.00 0.00 N ATOM 1477 CZ ARG A 95 -1.605 15.853 -17.951 1.00 0.00 C ATOM 1478 NH1 ARG A 95 -2.517 16.580 -17.327 1.00 0.00 N ATOM 1479 NH2 ARG A 95 -0.950 16.372 -18.980 1.00 0.00 N ATOM 0 H ARG A 95 1.921 11.211 -17.440 1.00 0.00 H new ATOM 0 HA ARG A 95 0.934 13.861 -17.483 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -0.383 11.789 -16.941 1.00 0.00 H new ATOM 0 HB3 ARG A 95 0.498 11.647 -15.432 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -1.451 12.705 -14.697 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -0.409 14.090 -14.951 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -2.611 13.090 -16.805 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -2.606 14.579 -15.881 1.00 0.00 H new ATOM 0 HE ARG A 95 -0.669 14.073 -18.127 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -3.039 16.183 -16.546 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -2.698 17.538 -17.627 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -0.258 15.813 -19.479 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -1.138 17.331 -19.273 1.00 0.00 H new ATOM 1493 N LEU A 96 3.048 13.063 -15.041 1.00 0.00 N ATOM 1494 CA LEU A 96 3.861 13.578 -13.915 1.00 0.00 C ATOM 1495 C LEU A 96 5.005 14.494 -14.382 1.00 0.00 C ATOM 1496 O LEU A 96 5.396 15.409 -13.662 1.00 0.00 O ATOM 1497 CB LEU A 96 4.421 12.406 -13.077 1.00 0.00 C ATOM 1498 CG LEU A 96 3.344 11.521 -12.388 1.00 0.00 C ATOM 1499 CD1 LEU A 96 3.970 10.296 -11.706 1.00 0.00 C ATOM 1500 CD2 LEU A 96 2.492 12.346 -11.388 1.00 0.00 C ATOM 0 H LEU A 96 3.229 12.085 -15.265 1.00 0.00 H new ATOM 0 HA LEU A 96 3.200 14.184 -13.296 1.00 0.00 H new ATOM 0 HB2 LEU A 96 5.030 11.774 -13.724 1.00 0.00 H new ATOM 0 HB3 LEU A 96 5.083 12.810 -12.311 1.00 0.00 H new ATOM 0 HG LEU A 96 2.678 11.154 -13.169 1.00 0.00 H new ATOM 0 HD11 LEU A 96 3.187 9.702 -11.236 1.00 0.00 H new ATOM 0 HD12 LEU A 96 4.488 9.690 -12.450 1.00 0.00 H new ATOM 0 HD13 LEU A 96 4.681 10.625 -10.948 1.00 0.00 H new ATOM 0 HD21 LEU A 96 1.748 11.699 -10.923 1.00 0.00 H new ATOM 0 HD22 LEU A 96 3.140 12.766 -10.618 1.00 0.00 H new ATOM 0 HD23 LEU A 96 1.989 13.154 -11.919 1.00 0.00 H new ATOM 1512 N LYS A 97 5.557 14.237 -15.578 1.00 0.00 N ATOM 1513 CA LYS A 97 6.645 15.072 -16.134 1.00 0.00 C ATOM 1514 C LYS A 97 6.065 16.404 -16.665 1.00 0.00 C ATOM 1515 O LYS A 97 6.751 17.429 -16.668 1.00 0.00 O ATOM 1516 CB LYS A 97 7.449 14.294 -17.224 1.00 0.00 C ATOM 1517 CG LYS A 97 6.716 14.093 -18.570 1.00 0.00 C ATOM 1518 CD LYS A 97 7.454 13.136 -19.547 1.00 0.00 C ATOM 1519 CE LYS A 97 7.714 11.741 -18.941 1.00 0.00 C ATOM 1520 NZ LYS A 97 8.129 10.740 -19.959 1.00 0.00 N ATOM 0 H LYS A 97 5.273 13.463 -16.179 1.00 0.00 H new ATOM 0 HA LYS A 97 7.354 15.312 -15.342 1.00 0.00 H new ATOM 0 HB2 LYS A 97 8.381 14.826 -17.413 1.00 0.00 H new ATOM 0 HB3 LYS A 97 7.716 13.315 -16.825 1.00 0.00 H new ATOM 0 HG2 LYS A 97 5.718 13.700 -18.375 1.00 0.00 H new ATOM 0 HG3 LYS A 97 6.588 15.062 -19.052 1.00 0.00 H new ATOM 0 HD2 LYS A 97 6.863 13.027 -20.456 1.00 0.00 H new ATOM 0 HD3 LYS A 97 8.405 13.583 -19.837 1.00 0.00 H new ATOM 0 HE2 LYS A 97 8.489 11.820 -18.178 1.00 0.00 H new ATOM 0 HE3 LYS A 97 6.810 11.392 -18.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 8.531 9.907 -19.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 7.302 10.452 -20.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 8.845 11.159 -20.587 1.00 0.00 H new ATOM 1534 N ALA A 98 4.783 16.365 -17.088 1.00 0.00 N ATOM 1535 CA ALA A 98 4.038 17.553 -17.557 1.00 0.00 C ATOM 1536 C ALA A 98 3.438 18.344 -16.372 1.00 0.00 C ATOM 1537 O ALA A 98 3.368 19.578 -16.403 1.00 0.00 O ATOM 1538 CB ALA A 98 2.928 17.114 -18.530 1.00 0.00 C ATOM 0 H ALA A 98 4.234 15.506 -17.114 1.00 0.00 H new ATOM 0 HA ALA A 98 4.732 18.215 -18.075 1.00 0.00 H new ATOM 0 HB1 ALA A 98 2.379 17.990 -18.875 1.00 0.00 H new ATOM 0 HB2 ALA A 98 3.374 16.605 -19.385 1.00 0.00 H new ATOM 0 HB3 ALA A 98 2.244 16.436 -18.020 1.00 0.00 H new ATOM 1544 N VAL A 99 3.013 17.606 -15.333 1.00 0.00 N ATOM 1545 CA VAL A 99 2.356 18.154 -14.131 1.00 0.00 C ATOM 1546 C VAL A 99 2.504 17.136 -12.962 1.00 0.00 C ATOM 1547 O VAL A 99 1.715 16.197 -12.836 1.00 0.00 O ATOM 1548 CB VAL A 99 0.832 18.549 -14.405 1.00 0.00 C ATOM 1549 CG1 VAL A 99 0.041 17.440 -15.140 1.00 0.00 C ATOM 1550 CG2 VAL A 99 0.106 18.961 -13.106 1.00 0.00 C ATOM 0 H VAL A 99 3.118 16.592 -15.303 1.00 0.00 H new ATOM 0 HA VAL A 99 2.850 19.084 -13.850 1.00 0.00 H new ATOM 0 HB VAL A 99 0.866 19.411 -15.071 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -0.986 17.769 -15.297 1.00 0.00 H new ATOM 0 HG12 VAL A 99 0.508 17.238 -16.104 1.00 0.00 H new ATOM 0 HG13 VAL A 99 0.043 16.531 -14.538 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -0.927 19.222 -13.334 1.00 0.00 H new ATOM 0 HG22 VAL A 99 0.123 18.130 -12.400 1.00 0.00 H new ATOM 0 HG23 VAL A 99 0.609 19.822 -12.665 1.00 0.00 H new ATOM 1560 N PRO A 100 3.586 17.261 -12.119 1.00 0.00 N ATOM 1561 CA PRO A 100 3.835 16.325 -10.987 1.00 0.00 C ATOM 1562 C PRO A 100 2.882 16.543 -9.793 1.00 0.00 C ATOM 1563 O PRO A 100 2.565 15.599 -9.059 1.00 0.00 O ATOM 1564 CB PRO A 100 5.311 16.625 -10.601 1.00 0.00 C ATOM 1565 CG PRO A 100 5.543 18.046 -11.018 1.00 0.00 C ATOM 1566 CD PRO A 100 4.670 18.286 -12.235 1.00 0.00 C ATOM 0 HA PRO A 100 3.658 15.287 -11.270 1.00 0.00 H new ATOM 0 HB2 PRO A 100 5.472 16.497 -9.531 1.00 0.00 H new ATOM 0 HB3 PRO A 100 5.997 15.948 -11.110 1.00 0.00 H new ATOM 0 HG2 PRO A 100 5.284 18.734 -10.213 1.00 0.00 H new ATOM 0 HG3 PRO A 100 6.594 18.214 -11.255 1.00 0.00 H new ATOM 0 HD2 PRO A 100 4.263 19.297 -12.240 1.00 0.00 H new ATOM 0 HD3 PRO A 100 5.234 18.165 -13.160 1.00 0.00 H new ATOM 1574 N TYR A 101 2.408 17.788 -9.630 1.00 0.00 N ATOM 1575 CA TYR A 101 1.603 18.200 -8.465 1.00 0.00 C ATOM 1576 C TYR A 101 0.139 17.744 -8.553 1.00 0.00 C ATOM 1577 O TYR A 101 -0.617 17.971 -7.608 1.00 0.00 O ATOM 1578 CB TYR A 101 1.698 19.735 -8.243 1.00 0.00 C ATOM 1579 CG TYR A 101 1.430 20.601 -9.484 1.00 0.00 C ATOM 1580 CD1 TYR A 101 0.133 20.970 -9.847 1.00 0.00 C ATOM 1581 CD2 TYR A 101 2.481 21.059 -10.290 1.00 0.00 C ATOM 1582 CE1 TYR A 101 -0.105 21.752 -10.955 1.00 0.00 C ATOM 1583 CE2 TYR A 101 2.241 21.841 -11.401 1.00 0.00 C ATOM 1584 CZ TYR A 101 0.947 22.186 -11.727 1.00 0.00 C ATOM 1585 OH TYR A 101 0.703 22.969 -12.829 1.00 0.00 O ATOM 0 H TYR A 101 2.571 18.539 -10.301 1.00 0.00 H new ATOM 0 HA TYR A 101 2.029 17.694 -7.599 1.00 0.00 H new ATOM 0 HB2 TYR A 101 0.988 20.017 -7.465 1.00 0.00 H new ATOM 0 HB3 TYR A 101 2.694 19.969 -7.866 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -0.700 20.635 -9.247 1.00 0.00 H new ATOM 0 HD2 TYR A 101 3.497 20.795 -10.037 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -1.117 22.024 -11.217 1.00 0.00 H new ATOM 0 HE2 TYR A 101 3.063 22.181 -12.013 1.00 0.00 H new ATOM 0 HH TYR A 101 0.585 23.901 -12.549 1.00 0.00 H new ATOM 1595 N THR A 102 -0.252 17.089 -9.667 1.00 0.00 N ATOM 1596 CA THR A 102 -1.636 16.623 -9.859 1.00 0.00 C ATOM 1597 C THR A 102 -1.995 15.513 -8.819 1.00 0.00 C ATOM 1598 O THR A 102 -1.349 14.453 -8.787 1.00 0.00 O ATOM 1599 CB THR A 102 -1.891 16.130 -11.332 1.00 0.00 C ATOM 1600 OG1 THR A 102 -3.274 15.763 -11.495 1.00 0.00 O ATOM 1601 CG2 THR A 102 -0.988 14.947 -11.756 1.00 0.00 C ATOM 0 H THR A 102 0.372 16.873 -10.444 1.00 0.00 H new ATOM 0 HA THR A 102 -2.296 17.474 -9.690 1.00 0.00 H new ATOM 0 HB THR A 102 -1.636 16.967 -11.982 1.00 0.00 H new ATOM 0 HG1 THR A 102 -3.375 14.798 -11.359 1.00 0.00 H new ATOM 0 HG21 THR A 102 -1.220 14.662 -12.782 1.00 0.00 H new ATOM 0 HG22 THR A 102 0.058 15.246 -11.690 1.00 0.00 H new ATOM 0 HG23 THR A 102 -1.165 14.099 -11.095 1.00 0.00 H new ATOM 1609 N PRO A 103 -2.998 15.758 -7.902 1.00 0.00 N ATOM 1610 CA PRO A 103 -3.470 14.727 -6.940 1.00 0.00 C ATOM 1611 C PRO A 103 -4.320 13.644 -7.643 1.00 0.00 C ATOM 1612 O PRO A 103 -4.553 12.557 -7.100 1.00 0.00 O ATOM 1613 CB PRO A 103 -4.312 15.549 -5.923 1.00 0.00 C ATOM 1614 CG PRO A 103 -4.825 16.715 -6.714 1.00 0.00 C ATOM 1615 CD PRO A 103 -3.737 17.049 -7.722 1.00 0.00 C ATOM 0 HA PRO A 103 -2.655 14.178 -6.468 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -5.130 14.956 -5.515 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -3.705 15.878 -5.080 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -5.759 16.465 -7.217 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -5.030 17.566 -6.065 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -4.160 17.401 -8.663 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -3.080 17.837 -7.353 1.00 0.00 H new ATOM 1623 N PHE A 104 -4.776 13.974 -8.864 1.00 0.00 N ATOM 1624 CA PHE A 104 -5.664 13.131 -9.674 1.00 0.00 C ATOM 1625 C PHE A 104 -4.927 12.633 -10.931 1.00 0.00 C ATOM 1626 O PHE A 104 -3.784 13.015 -11.184 1.00 0.00 O ATOM 1627 CB PHE A 104 -6.927 13.944 -10.074 1.00 0.00 C ATOM 1628 CG PHE A 104 -7.624 14.667 -8.913 1.00 0.00 C ATOM 1629 CD1 PHE A 104 -7.855 14.023 -7.694 1.00 0.00 C ATOM 1630 CD2 PHE A 104 -8.046 15.992 -9.042 1.00 0.00 C ATOM 1631 CE1 PHE A 104 -8.479 14.679 -6.649 1.00 0.00 C ATOM 1632 CE2 PHE A 104 -8.670 16.646 -7.994 1.00 0.00 C ATOM 1633 CZ PHE A 104 -8.887 15.990 -6.799 1.00 0.00 C ATOM 0 H PHE A 104 -4.531 14.852 -9.322 1.00 0.00 H new ATOM 0 HA PHE A 104 -5.968 12.263 -9.089 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -6.644 14.682 -10.825 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -7.642 13.269 -10.544 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -7.541 12.997 -7.567 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -7.883 16.514 -9.973 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -8.648 14.165 -5.714 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -8.988 17.672 -8.111 1.00 0.00 H new ATOM 0 HZ PHE A 104 -9.375 16.501 -5.982 1.00 0.00 H new ATOM 1643 N CYS A 105 -5.591 11.763 -11.707 1.00 0.00 N ATOM 1644 CA CYS A 105 -5.063 11.259 -12.995 1.00 0.00 C ATOM 1645 C CYS A 105 -5.672 12.053 -14.151 1.00 0.00 C ATOM 1646 O CYS A 105 -6.565 12.864 -13.917 1.00 0.00 O ATOM 1647 CB CYS A 105 -5.364 9.754 -13.140 1.00 0.00 C ATOM 1648 SG CYS A 105 -7.125 9.337 -13.263 1.00 0.00 S ATOM 0 H CYS A 105 -6.508 11.387 -11.465 1.00 0.00 H new ATOM 0 HA CYS A 105 -3.981 11.392 -13.018 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -4.854 9.380 -14.028 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -4.940 9.229 -12.284 1.00 0.00 H new ATOM 0 HG CYS A 105 -7.795 10.019 -12.382 1.00 0.00 H new ATOM 1653 N GLN A 106 -5.197 11.799 -15.390 1.00 0.00 N ATOM 1654 CA GLN A 106 -5.641 12.531 -16.602 1.00 0.00 C ATOM 1655 C GLN A 106 -7.166 12.450 -16.809 1.00 0.00 C ATOM 1656 O GLN A 106 -7.795 13.437 -17.193 1.00 0.00 O ATOM 1657 CB GLN A 106 -4.899 11.984 -17.852 1.00 0.00 C ATOM 1658 CG GLN A 106 -5.214 12.686 -19.200 1.00 0.00 C ATOM 1659 CD GLN A 106 -4.771 14.162 -19.292 1.00 0.00 C ATOM 1660 OE1 GLN A 106 -4.751 14.904 -18.311 1.00 0.00 O ATOM 1661 NE2 GLN A 106 -4.407 14.599 -20.487 1.00 0.00 N ATOM 0 H GLN A 106 -4.496 11.083 -15.580 1.00 0.00 H new ATOM 0 HA GLN A 106 -5.392 13.582 -16.459 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -3.826 12.055 -17.672 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -5.136 10.925 -17.954 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -4.732 12.128 -20.003 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -6.288 12.634 -19.376 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -4.430 13.969 -21.289 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -4.103 15.565 -20.606 1.00 0.00 H new ATOM 1670 N GLU A 107 -7.741 11.269 -16.525 1.00 0.00 N ATOM 1671 CA GLU A 107 -9.191 11.026 -16.651 1.00 0.00 C ATOM 1672 C GLU A 107 -9.995 11.898 -15.667 1.00 0.00 C ATOM 1673 O GLU A 107 -10.954 12.562 -16.063 1.00 0.00 O ATOM 1674 CB GLU A 107 -9.495 9.524 -16.428 1.00 0.00 C ATOM 1675 CG GLU A 107 -8.766 8.578 -17.399 1.00 0.00 C ATOM 1676 CD GLU A 107 -9.080 8.872 -18.876 1.00 0.00 C ATOM 1677 OE1 GLU A 107 -10.147 8.440 -19.371 1.00 0.00 O ATOM 1678 OE2 GLU A 107 -8.265 9.533 -19.553 1.00 0.00 O ATOM 0 H GLU A 107 -7.216 10.456 -16.202 1.00 0.00 H new ATOM 0 HA GLU A 107 -9.498 11.304 -17.659 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -9.222 9.258 -15.407 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -10.569 9.365 -16.522 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -7.691 8.660 -17.239 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -9.044 7.549 -17.172 1.00 0.00 H new ATOM 1685 N CYS A 108 -9.567 11.900 -14.385 1.00 0.00 N ATOM 1686 CA CYS A 108 -10.179 12.742 -13.330 1.00 0.00 C ATOM 1687 C CYS A 108 -9.965 14.243 -13.629 1.00 0.00 C ATOM 1688 O CYS A 108 -10.858 15.048 -13.398 1.00 0.00 O ATOM 1689 CB CYS A 108 -9.618 12.388 -11.931 1.00 0.00 C ATOM 1690 SG CYS A 108 -10.038 10.722 -11.335 1.00 0.00 S ATOM 0 H CYS A 108 -8.794 11.323 -14.053 1.00 0.00 H new ATOM 0 HA CYS A 108 -11.250 12.538 -13.328 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -8.533 12.486 -11.956 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -9.988 13.119 -11.212 1.00 0.00 H new ATOM 0 HG CYS A 108 -9.061 10.261 -10.611 1.00 0.00 H new ATOM 1695 N ALA A 109 -8.789 14.583 -14.194 1.00 0.00 N ATOM 1696 CA ALA A 109 -8.413 15.973 -14.543 1.00 0.00 C ATOM 1697 C ALA A 109 -9.292 16.502 -15.688 1.00 0.00 C ATOM 1698 O ALA A 109 -9.652 17.683 -15.716 1.00 0.00 O ATOM 1699 CB ALA A 109 -6.922 16.043 -14.916 1.00 0.00 C ATOM 0 H ALA A 109 -8.068 13.899 -14.423 1.00 0.00 H new ATOM 0 HA ALA A 109 -8.579 16.608 -13.673 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -6.658 17.070 -15.170 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -6.319 15.713 -14.070 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -6.730 15.396 -15.772 1.00 0.00 H new ATOM 1705 N ALA A 110 -9.640 15.592 -16.611 1.00 0.00 N ATOM 1706 CA ALA A 110 -10.548 15.871 -17.733 1.00 0.00 C ATOM 1707 C ALA A 110 -12.015 15.895 -17.257 1.00 0.00 C ATOM 1708 O ALA A 110 -12.866 16.536 -17.881 1.00 0.00 O ATOM 1709 CB ALA A 110 -10.344 14.820 -18.839 1.00 0.00 C ATOM 0 H ALA A 110 -9.295 14.632 -16.599 1.00 0.00 H new ATOM 0 HA ALA A 110 -10.317 16.856 -18.139 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -11.019 15.030 -19.669 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -9.313 14.857 -19.191 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -10.556 13.827 -18.441 1.00 0.00 H new ATOM 1715 N ALA A 111 -12.292 15.180 -16.147 1.00 0.00 N ATOM 1716 CA ALA A 111 -13.638 15.084 -15.548 1.00 0.00 C ATOM 1717 C ALA A 111 -13.884 16.184 -14.493 1.00 0.00 C ATOM 1718 O ALA A 111 -14.997 16.283 -13.961 1.00 0.00 O ATOM 1719 CB ALA A 111 -13.842 13.687 -14.938 1.00 0.00 C ATOM 0 H ALA A 111 -11.584 14.650 -15.639 1.00 0.00 H new ATOM 0 HA ALA A 111 -14.368 15.238 -16.342 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -14.837 13.624 -14.498 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -13.741 12.931 -15.717 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -13.092 13.514 -14.166 1.00 0.00 H new