USER MOD reduce.3.24.130724 H: found=0, std=0, add=403, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 404 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 Single : A 11 TYR OH : rot 180:sc= -0.0241 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot -174:sc= 0.356 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.399 X(o=-0.4,f=-0.27) USER MOD Single : A 21 ASN : amide:sc= -0.612 K(o=-0.61,f=-1.5!) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 149:sc= -0.0692 (180deg=-0.85) USER MOD ----------------------------------------------------------------- ATOM 93 N GLU A 10 2.176 8.415 -1.226 1.00 0.00 N ATOM 94 CA GLU A 10 1.670 7.517 -2.257 1.00 0.00 C ATOM 95 C GLU A 10 1.989 6.064 -1.918 1.00 0.00 C ATOM 96 O GLU A 10 3.031 5.766 -1.332 1.00 0.00 O ATOM 97 CB GLU A 10 2.270 7.878 -3.618 1.00 0.00 C ATOM 98 CG GLU A 10 1.510 8.973 -4.347 1.00 0.00 C ATOM 99 CD GLU A 10 2.279 9.528 -5.530 1.00 0.00 C ATOM 100 OE1 GLU A 10 2.506 8.772 -6.498 1.00 0.00 O ATOM 101 OE2 GLU A 10 2.652 10.719 -5.488 1.00 0.00 O ATOM 0 HA GLU A 10 0.587 7.632 -2.303 1.00 0.00 H new ATOM 0 HB2 GLU A 10 3.303 8.196 -3.477 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.294 6.986 -4.243 1.00 0.00 H new ATOM 0 HG2 GLU A 10 0.554 8.579 -4.692 1.00 0.00 H new ATOM 0 HG3 GLU A 10 1.288 9.782 -3.651 1.00 0.00 H new ATOM 108 N TYR A 11 1.086 5.164 -2.289 1.00 0.00 N ATOM 109 CA TYR A 11 1.268 3.742 -2.021 1.00 0.00 C ATOM 110 C TYR A 11 1.193 2.931 -3.311 1.00 0.00 C ATOM 111 O TYR A 11 0.214 3.014 -4.053 1.00 0.00 O ATOM 112 CB TYR A 11 0.211 3.248 -1.032 1.00 0.00 C ATOM 113 CG TYR A 11 0.379 3.807 0.363 1.00 0.00 C ATOM 114 CD1 TYR A 11 0.213 5.163 0.614 1.00 0.00 C ATOM 115 CD2 TYR A 11 0.703 2.978 1.430 1.00 0.00 C ATOM 116 CE1 TYR A 11 0.366 5.678 1.887 1.00 0.00 C ATOM 117 CE2 TYR A 11 0.856 3.484 2.706 1.00 0.00 C ATOM 118 CZ TYR A 11 0.688 4.834 2.929 1.00 0.00 C ATOM 119 OH TYR A 11 0.840 5.343 4.199 1.00 0.00 O ATOM 0 H TYR A 11 0.220 5.394 -2.777 1.00 0.00 H new ATOM 0 HA TYR A 11 2.257 3.604 -1.584 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -0.777 3.516 -1.405 1.00 0.00 H new ATOM 0 HB3 TYR A 11 0.250 2.160 -0.985 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -0.040 5.826 -0.200 1.00 0.00 H new ATOM 0 HD2 TYR A 11 0.837 1.920 1.259 1.00 0.00 H new ATOM 0 HE1 TYR A 11 0.234 6.735 2.065 1.00 0.00 H new ATOM 0 HE2 TYR A 11 1.106 2.826 3.525 1.00 0.00 H new ATOM 0 HH TYR A 11 1.065 4.617 4.818 1.00 0.00 H new ATOM 129 N ARG A 12 2.233 2.146 -3.571 1.00 0.00 N ATOM 130 CA ARG A 12 2.286 1.319 -4.771 1.00 0.00 C ATOM 131 C ARG A 12 1.882 -0.118 -4.458 1.00 0.00 C ATOM 132 O ARG A 12 2.466 -0.762 -3.587 1.00 0.00 O ATOM 133 CB ARG A 12 3.692 1.346 -5.372 1.00 0.00 C ATOM 134 CG ARG A 12 3.799 0.619 -6.703 1.00 0.00 C ATOM 135 CD ARG A 12 5.224 0.638 -7.235 1.00 0.00 C ATOM 136 NE ARG A 12 6.156 -0.023 -6.326 1.00 0.00 N ATOM 137 CZ ARG A 12 7.463 -0.108 -6.548 1.00 0.00 C ATOM 138 NH1 ARG A 12 7.989 0.424 -7.643 1.00 0.00 N ATOM 139 NH2 ARG A 12 8.247 -0.727 -5.674 1.00 0.00 N ATOM 0 H ARG A 12 3.051 2.065 -2.967 1.00 0.00 H new ATOM 0 HA ARG A 12 1.581 1.727 -5.495 1.00 0.00 H new ATOM 0 HB2 ARG A 12 4.000 2.383 -5.508 1.00 0.00 H new ATOM 0 HB3 ARG A 12 4.389 0.896 -4.665 1.00 0.00 H new ATOM 0 HG2 ARG A 12 3.468 -0.413 -6.583 1.00 0.00 H new ATOM 0 HG3 ARG A 12 3.132 1.085 -7.428 1.00 0.00 H new ATOM 0 HD2 ARG A 12 5.255 0.146 -8.207 1.00 0.00 H new ATOM 0 HD3 ARG A 12 5.539 1.670 -7.390 1.00 0.00 H new ATOM 0 HE ARG A 12 5.783 -0.442 -5.474 1.00 0.00 H new ATOM 0 HH11 ARG A 12 7.390 0.900 -8.317 1.00 0.00 H new ATOM 0 HH12 ARG A 12 8.993 0.357 -7.811 1.00 0.00 H new ATOM 0 HH21 ARG A 12 7.846 -1.138 -4.831 1.00 0.00 H new ATOM 0 HH22 ARG A 12 9.250 -0.792 -5.845 1.00 0.00 H new ATOM 153 N ALA A 13 0.880 -0.615 -5.176 1.00 0.00 N ATOM 154 CA ALA A 13 0.399 -1.977 -4.977 1.00 0.00 C ATOM 155 C ALA A 13 1.561 -2.954 -4.836 1.00 0.00 C ATOM 156 O ALA A 13 2.651 -2.719 -5.360 1.00 0.00 O ATOM 157 CB ALA A 13 -0.505 -2.391 -6.129 1.00 0.00 C ATOM 0 H ALA A 13 0.386 -0.095 -5.901 1.00 0.00 H new ATOM 0 HA ALA A 13 -0.176 -2.002 -4.052 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.857 -3.410 -5.967 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.359 -1.716 -6.182 1.00 0.00 H new ATOM 0 HB3 ALA A 13 0.053 -2.344 -7.064 1.00 0.00 H new ATOM 163 N LEU A 14 1.323 -4.050 -4.124 1.00 0.00 N ATOM 164 CA LEU A 14 2.351 -5.064 -3.913 1.00 0.00 C ATOM 165 C LEU A 14 1.985 -6.365 -4.620 1.00 0.00 C ATOM 166 O LEU A 14 2.851 -7.053 -5.161 1.00 0.00 O ATOM 167 CB LEU A 14 2.543 -5.320 -2.417 1.00 0.00 C ATOM 168 CG LEU A 14 3.303 -4.242 -1.644 1.00 0.00 C ATOM 169 CD1 LEU A 14 2.953 -4.299 -0.165 1.00 0.00 C ATOM 170 CD2 LEU A 14 4.803 -4.400 -1.845 1.00 0.00 C ATOM 0 H LEU A 14 0.427 -4.259 -3.683 1.00 0.00 H new ATOM 0 HA LEU A 14 3.285 -4.693 -4.335 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.561 -5.442 -1.961 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.070 -6.266 -2.295 1.00 0.00 H new ATOM 0 HG LEU A 14 3.005 -3.267 -2.030 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.503 -3.525 0.369 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.883 -4.137 -0.038 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.222 -5.277 0.235 1.00 0.00 H new ATOM 0 HD21 LEU A 14 5.328 -3.624 -1.288 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.117 -5.380 -1.486 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.040 -4.309 -2.905 1.00 0.00 H new ATOM 182 N TYR A 15 0.699 -6.694 -4.615 1.00 0.00 N ATOM 183 CA TYR A 15 0.219 -7.912 -5.256 1.00 0.00 C ATOM 184 C TYR A 15 -1.178 -7.709 -5.836 1.00 0.00 C ATOM 185 O TYR A 15 -2.024 -7.050 -5.232 1.00 0.00 O ATOM 186 CB TYR A 15 0.203 -9.068 -4.255 1.00 0.00 C ATOM 187 CG TYR A 15 1.473 -9.182 -3.442 1.00 0.00 C ATOM 188 CD1 TYR A 15 2.545 -9.943 -3.893 1.00 0.00 C ATOM 189 CD2 TYR A 15 1.601 -8.528 -2.222 1.00 0.00 C ATOM 190 CE1 TYR A 15 3.706 -10.050 -3.153 1.00 0.00 C ATOM 191 CE2 TYR A 15 2.760 -8.629 -1.476 1.00 0.00 C ATOM 192 CZ TYR A 15 3.809 -9.391 -1.946 1.00 0.00 C ATOM 193 OH TYR A 15 4.965 -9.495 -1.206 1.00 0.00 O ATOM 0 H TYR A 15 -0.031 -6.134 -4.174 1.00 0.00 H new ATOM 0 HA TYR A 15 0.900 -8.155 -6.072 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -0.642 -8.940 -3.578 1.00 0.00 H new ATOM 0 HB3 TYR A 15 0.041 -10.002 -4.793 1.00 0.00 H new ATOM 0 HD1 TYR A 15 2.469 -10.460 -4.838 1.00 0.00 H new ATOM 0 HD2 TYR A 15 0.781 -7.931 -1.851 1.00 0.00 H new ATOM 0 HE1 TYR A 15 4.529 -10.647 -3.518 1.00 0.00 H new ATOM 0 HE2 TYR A 15 2.844 -8.114 -0.530 1.00 0.00 H new ATOM 0 HH TYR A 15 4.875 -8.970 -0.383 1.00 0.00 H new ATOM 203 N ASP A 16 -1.411 -8.280 -7.013 1.00 0.00 N ATOM 204 CA ASP A 16 -2.704 -8.164 -7.676 1.00 0.00 C ATOM 205 C ASP A 16 -3.818 -8.725 -6.797 1.00 0.00 C ATOM 206 O ASP A 16 -3.784 -9.891 -6.404 1.00 0.00 O ATOM 207 CB ASP A 16 -2.680 -8.895 -9.019 1.00 0.00 C ATOM 208 CG ASP A 16 -4.042 -9.435 -9.409 1.00 0.00 C ATOM 209 OD1 ASP A 16 -4.364 -10.575 -9.012 1.00 0.00 O ATOM 210 OD2 ASP A 16 -4.786 -8.719 -10.111 1.00 0.00 O ATOM 0 H ASP A 16 -0.721 -8.828 -7.527 1.00 0.00 H new ATOM 0 HA ASP A 16 -2.901 -7.106 -7.851 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -2.327 -8.214 -9.794 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.967 -9.718 -8.969 1.00 0.00 H new ATOM 215 N TYR A 17 -4.803 -7.887 -6.493 1.00 0.00 N ATOM 216 CA TYR A 17 -5.925 -8.298 -5.657 1.00 0.00 C ATOM 217 C TYR A 17 -7.228 -8.281 -6.449 1.00 0.00 C ATOM 218 O TYR A 17 -7.555 -7.295 -7.111 1.00 0.00 O ATOM 219 CB TYR A 17 -6.043 -7.381 -4.439 1.00 0.00 C ATOM 220 CG TYR A 17 -7.307 -7.599 -3.638 1.00 0.00 C ATOM 221 CD1 TYR A 17 -7.393 -8.623 -2.703 1.00 0.00 C ATOM 222 CD2 TYR A 17 -8.415 -6.779 -3.815 1.00 0.00 C ATOM 223 CE1 TYR A 17 -8.546 -8.826 -1.970 1.00 0.00 C ATOM 224 CE2 TYR A 17 -9.571 -6.974 -3.084 1.00 0.00 C ATOM 225 CZ TYR A 17 -9.632 -7.999 -2.164 1.00 0.00 C ATOM 226 OH TYR A 17 -10.782 -8.197 -1.434 1.00 0.00 O ATOM 0 H TYR A 17 -4.847 -6.919 -6.813 1.00 0.00 H new ATOM 0 HA TYR A 17 -5.740 -9.317 -5.319 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -5.181 -7.538 -3.791 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -6.007 -6.343 -4.771 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -6.544 -9.272 -2.547 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -8.372 -5.976 -4.536 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -8.597 -9.628 -1.249 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -10.423 -6.327 -3.233 1.00 0.00 H new ATOM 0 HH TYR A 17 -11.481 -7.589 -1.754 1.00 0.00 H new ATOM 236 N THR A 18 -7.972 -9.381 -6.376 1.00 0.00 N ATOM 237 CA THR A 18 -9.240 -9.495 -7.085 1.00 0.00 C ATOM 238 C THR A 18 -10.408 -9.099 -6.190 1.00 0.00 C ATOM 239 O THR A 18 -10.892 -9.903 -5.394 1.00 0.00 O ATOM 240 CB THR A 18 -9.467 -10.927 -7.604 1.00 0.00 C ATOM 241 OG1 THR A 18 -8.365 -11.333 -8.423 1.00 0.00 O ATOM 242 CG2 THR A 18 -10.759 -11.015 -8.402 1.00 0.00 C ATOM 0 H THR A 18 -7.717 -10.206 -5.832 1.00 0.00 H new ATOM 0 HA THR A 18 -9.190 -8.813 -7.934 1.00 0.00 H new ATOM 0 HB THR A 18 -9.544 -11.593 -6.744 1.00 0.00 H new ATOM 0 HG1 THR A 18 -8.517 -12.245 -8.747 1.00 0.00 H new ATOM 0 HG21 THR A 18 -10.898 -12.036 -8.758 1.00 0.00 H new ATOM 0 HG22 THR A 18 -11.599 -10.735 -7.766 1.00 0.00 H new ATOM 0 HG23 THR A 18 -10.707 -10.337 -9.254 1.00 0.00 H new ATOM 250 N ALA A 19 -10.858 -7.856 -6.326 1.00 0.00 N ATOM 251 CA ALA A 19 -11.972 -7.355 -5.531 1.00 0.00 C ATOM 252 C ALA A 19 -13.252 -8.126 -5.832 1.00 0.00 C ATOM 253 O ALA A 19 -13.736 -8.124 -6.964 1.00 0.00 O ATOM 254 CB ALA A 19 -12.176 -5.869 -5.785 1.00 0.00 C ATOM 0 H ALA A 19 -10.468 -7.177 -6.980 1.00 0.00 H new ATOM 0 HA ALA A 19 -11.730 -7.502 -4.479 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -13.011 -5.509 -5.185 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -11.271 -5.326 -5.512 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -12.392 -5.707 -6.841 1.00 0.00 H new ATOM 260 N GLN A 20 -13.795 -8.785 -4.813 1.00 0.00 N ATOM 261 CA GLN A 20 -15.019 -9.561 -4.972 1.00 0.00 C ATOM 262 C GLN A 20 -16.247 -8.659 -4.915 1.00 0.00 C ATOM 263 O GLN A 20 -17.152 -8.774 -5.741 1.00 0.00 O ATOM 264 CB GLN A 20 -15.110 -10.636 -3.887 1.00 0.00 C ATOM 265 CG GLN A 20 -14.065 -11.731 -4.026 1.00 0.00 C ATOM 266 CD GLN A 20 -14.086 -12.388 -5.392 1.00 0.00 C ATOM 267 OE1 GLN A 20 -15.001 -13.146 -5.715 1.00 0.00 O ATOM 268 NE2 GLN A 20 -13.075 -12.098 -6.203 1.00 0.00 N ATOM 0 H GLN A 20 -13.407 -8.797 -3.870 1.00 0.00 H new ATOM 0 HA GLN A 20 -14.990 -10.042 -5.950 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -15.002 -10.164 -2.910 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -16.102 -11.086 -3.916 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -13.076 -11.309 -3.845 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -14.234 -12.488 -3.260 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -12.338 -11.464 -5.893 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -13.035 -12.509 -7.136 1.00 0.00 H new ATOM 277 N ASN A 21 -16.272 -7.762 -3.935 1.00 0.00 N ATOM 278 CA ASN A 21 -17.390 -6.841 -3.770 1.00 0.00 C ATOM 279 C ASN A 21 -17.287 -5.679 -4.753 1.00 0.00 C ATOM 280 O ASN A 21 -16.198 -5.245 -5.128 1.00 0.00 O ATOM 281 CB ASN A 21 -17.432 -6.308 -2.336 1.00 0.00 C ATOM 282 CG ASN A 21 -16.906 -7.313 -1.330 1.00 0.00 C ATOM 283 OD1 ASN A 21 -17.045 -8.523 -1.513 1.00 0.00 O ATOM 284 ND2 ASN A 21 -16.297 -6.816 -0.260 1.00 0.00 N ATOM 0 H ASN A 21 -15.531 -7.653 -3.243 1.00 0.00 H new ATOM 0 HA ASN A 21 -18.311 -7.387 -3.975 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -16.842 -5.393 -2.274 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -18.458 -6.044 -2.079 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -15.922 -7.444 0.451 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -16.204 -5.806 -0.149 1.00 0.00 H new ATOM 291 N PRO A 22 -18.448 -5.161 -5.181 1.00 0.00 N ATOM 292 CA PRO A 22 -18.516 -4.042 -6.125 1.00 0.00 C ATOM 293 C PRO A 22 -18.047 -2.731 -5.504 1.00 0.00 C ATOM 294 O PRO A 22 -18.047 -1.688 -6.159 1.00 0.00 O ATOM 295 CB PRO A 22 -20.003 -3.965 -6.479 1.00 0.00 C ATOM 296 CG PRO A 22 -20.702 -4.562 -5.307 1.00 0.00 C ATOM 297 CD PRO A 22 -19.785 -5.628 -4.776 1.00 0.00 C ATOM 0 HA PRO A 22 -17.867 -4.196 -6.987 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -20.318 -2.935 -6.645 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -20.221 -4.516 -7.393 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -20.904 -3.807 -4.547 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -21.663 -4.985 -5.600 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -19.866 -5.725 -3.693 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -20.015 -6.605 -5.201 1.00 0.00 H new ATOM 305 N ASP A 23 -17.648 -2.790 -4.239 1.00 0.00 N ATOM 306 CA ASP A 23 -17.175 -1.607 -3.530 1.00 0.00 C ATOM 307 C ASP A 23 -15.651 -1.576 -3.480 1.00 0.00 C ATOM 308 O ASP A 23 -15.042 -0.506 -3.478 1.00 0.00 O ATOM 309 CB ASP A 23 -17.745 -1.575 -2.111 1.00 0.00 C ATOM 310 CG ASP A 23 -17.890 -0.163 -1.577 1.00 0.00 C ATOM 311 OD1 ASP A 23 -16.994 0.665 -1.841 1.00 0.00 O ATOM 312 OD2 ASP A 23 -18.899 0.113 -0.895 1.00 0.00 O ATOM 0 H ASP A 23 -17.643 -3.645 -3.683 1.00 0.00 H new ATOM 0 HA ASP A 23 -17.520 -0.727 -4.072 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -18.718 -2.065 -2.102 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -17.095 -2.146 -1.448 1.00 0.00 H new ATOM 317 N GLU A 24 -15.041 -2.757 -3.438 1.00 0.00 N ATOM 318 CA GLU A 24 -13.588 -2.864 -3.386 1.00 0.00 C ATOM 319 C GLU A 24 -12.977 -2.652 -4.768 1.00 0.00 C ATOM 320 O GLU A 24 -13.612 -2.921 -5.788 1.00 0.00 O ATOM 321 CB GLU A 24 -13.174 -4.231 -2.837 1.00 0.00 C ATOM 322 CG GLU A 24 -13.500 -4.419 -1.365 1.00 0.00 C ATOM 323 CD GLU A 24 -13.316 -5.853 -0.906 1.00 0.00 C ATOM 324 OE1 GLU A 24 -13.387 -6.763 -1.757 1.00 0.00 O ATOM 325 OE2 GLU A 24 -13.100 -6.064 0.306 1.00 0.00 O ATOM 0 H GLU A 24 -15.530 -3.652 -3.439 1.00 0.00 H new ATOM 0 HA GLU A 24 -13.216 -2.086 -2.720 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -13.672 -5.011 -3.413 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -12.102 -4.362 -2.983 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -12.862 -3.766 -0.769 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -14.530 -4.112 -1.183 1.00 0.00 H new ATOM 332 N LEU A 25 -11.740 -2.169 -4.794 1.00 0.00 N ATOM 333 CA LEU A 25 -11.041 -1.920 -6.050 1.00 0.00 C ATOM 334 C LEU A 25 -10.040 -3.032 -6.346 1.00 0.00 C ATOM 335 O LEU A 25 -9.613 -3.753 -5.444 1.00 0.00 O ATOM 336 CB LEU A 25 -10.322 -0.571 -5.998 1.00 0.00 C ATOM 337 CG LEU A 25 -11.152 0.648 -6.402 1.00 0.00 C ATOM 338 CD1 LEU A 25 -10.375 1.931 -6.147 1.00 0.00 C ATOM 339 CD2 LEU A 25 -11.562 0.553 -7.864 1.00 0.00 C ATOM 0 H LEU A 25 -11.200 -1.942 -3.959 1.00 0.00 H new ATOM 0 HA LEU A 25 -11.780 -1.900 -6.851 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -9.956 -0.416 -4.983 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -9.448 -0.622 -6.648 1.00 0.00 H new ATOM 0 HG LEU A 25 -12.055 0.667 -5.792 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -10.981 2.788 -6.440 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -10.132 2.004 -5.087 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -9.454 1.921 -6.731 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -12.152 1.429 -8.134 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -10.671 0.509 -8.490 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -12.158 -0.347 -8.017 1.00 0.00 H new ATOM 351 N ASP A 26 -9.669 -3.164 -7.615 1.00 0.00 N ATOM 352 CA ASP A 26 -8.715 -4.187 -8.029 1.00 0.00 C ATOM 353 C ASP A 26 -7.302 -3.616 -8.098 1.00 0.00 C ATOM 354 O ASP A 26 -6.994 -2.795 -8.963 1.00 0.00 O ATOM 355 CB ASP A 26 -9.112 -4.763 -9.389 1.00 0.00 C ATOM 356 CG ASP A 26 -9.647 -3.704 -10.333 1.00 0.00 C ATOM 357 OD1 ASP A 26 -9.182 -2.548 -10.252 1.00 0.00 O ATOM 358 OD2 ASP A 26 -10.531 -4.031 -11.153 1.00 0.00 O ATOM 0 H ASP A 26 -10.014 -2.576 -8.374 1.00 0.00 H new ATOM 0 HA ASP A 26 -8.729 -4.985 -7.286 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -8.246 -5.246 -9.842 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -9.869 -5.534 -9.247 1.00 0.00 H new ATOM 363 N LEU A 27 -6.448 -4.054 -7.180 1.00 0.00 N ATOM 364 CA LEU A 27 -5.067 -3.586 -7.135 1.00 0.00 C ATOM 365 C LEU A 27 -4.185 -4.399 -8.078 1.00 0.00 C ATOM 366 O LEU A 27 -4.602 -5.436 -8.594 1.00 0.00 O ATOM 367 CB LEU A 27 -4.524 -3.674 -5.708 1.00 0.00 C ATOM 368 CG LEU A 27 -5.120 -2.690 -4.701 1.00 0.00 C ATOM 369 CD1 LEU A 27 -4.558 -2.942 -3.311 1.00 0.00 C ATOM 370 CD2 LEU A 27 -4.853 -1.256 -5.134 1.00 0.00 C ATOM 0 H LEU A 27 -6.687 -4.732 -6.457 1.00 0.00 H new ATOM 0 HA LEU A 27 -5.052 -2.546 -7.460 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.691 -4.686 -5.339 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -3.445 -3.520 -5.741 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.199 -2.844 -4.668 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -4.994 -2.232 -2.608 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.801 -3.958 -2.999 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.475 -2.817 -3.328 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.284 -0.570 -4.405 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -3.778 -1.089 -5.197 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.305 -1.080 -6.110 1.00 0.00 H new ATOM 382 N SER A 28 -2.963 -3.923 -8.296 1.00 0.00 N ATOM 383 CA SER A 28 -2.023 -4.605 -9.177 1.00 0.00 C ATOM 384 C SER A 28 -0.596 -4.133 -8.918 1.00 0.00 C ATOM 385 O SER A 28 -0.314 -2.935 -8.930 1.00 0.00 O ATOM 386 CB SER A 28 -2.395 -4.361 -10.641 1.00 0.00 C ATOM 387 OG SER A 28 -1.881 -5.385 -11.475 1.00 0.00 O ATOM 0 H SER A 28 -2.601 -3.068 -7.874 1.00 0.00 H new ATOM 0 HA SER A 28 -2.077 -5.674 -8.969 1.00 0.00 H new ATOM 0 HB2 SER A 28 -3.479 -4.316 -10.741 1.00 0.00 H new ATOM 0 HB3 SER A 28 -2.005 -3.395 -10.963 1.00 0.00 H new ATOM 0 HG SER A 28 -2.134 -5.207 -12.405 1.00 0.00 H new ATOM 393 N ALA A 29 0.302 -5.084 -8.683 1.00 0.00 N ATOM 394 CA ALA A 29 1.701 -4.768 -8.423 1.00 0.00 C ATOM 395 C ALA A 29 2.263 -3.843 -9.497 1.00 0.00 C ATOM 396 O ALA A 29 2.562 -4.276 -10.609 1.00 0.00 O ATOM 397 CB ALA A 29 2.524 -6.044 -8.339 1.00 0.00 C ATOM 0 H ALA A 29 0.085 -6.081 -8.667 1.00 0.00 H new ATOM 0 HA ALA A 29 1.759 -4.249 -7.466 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.567 -5.792 -8.145 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.145 -6.669 -7.531 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.451 -6.586 -9.282 1.00 0.00 H new ATOM 403 N GLY A 30 2.405 -2.565 -9.157 1.00 0.00 N ATOM 404 CA GLY A 30 2.930 -1.599 -10.104 1.00 0.00 C ATOM 405 C GLY A 30 1.979 -0.442 -10.340 1.00 0.00 C ATOM 406 O GLY A 30 2.158 0.336 -11.278 1.00 0.00 O ATOM 0 H GLY A 30 2.166 -2.182 -8.242 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.881 -1.214 -9.736 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.133 -2.097 -11.052 1.00 0.00 H new ATOM 410 N ASP A 31 0.966 -0.329 -9.489 1.00 0.00 N ATOM 411 CA ASP A 31 -0.018 0.741 -9.610 1.00 0.00 C ATOM 412 C ASP A 31 0.313 1.892 -8.665 1.00 0.00 C ATOM 413 O ASP A 31 1.051 1.719 -7.694 1.00 0.00 O ATOM 414 CB ASP A 31 -1.421 0.209 -9.314 1.00 0.00 C ATOM 415 CG ASP A 31 -1.821 -0.918 -10.245 1.00 0.00 C ATOM 416 OD1 ASP A 31 -1.172 -1.076 -11.300 1.00 0.00 O ATOM 417 OD2 ASP A 31 -2.783 -1.644 -9.917 1.00 0.00 O ATOM 0 H ASP A 31 0.804 -0.965 -8.708 1.00 0.00 H new ATOM 0 HA ASP A 31 0.011 1.114 -10.634 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -1.463 -0.143 -8.283 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -2.141 1.022 -9.403 1.00 0.00 H new ATOM 422 N ILE A 32 -0.235 3.067 -8.957 1.00 0.00 N ATOM 423 CA ILE A 32 0.002 4.246 -8.134 1.00 0.00 C ATOM 424 C ILE A 32 -1.307 4.811 -7.593 1.00 0.00 C ATOM 425 O ILE A 32 -2.090 5.408 -8.332 1.00 0.00 O ATOM 426 CB ILE A 32 0.736 5.346 -8.924 1.00 0.00 C ATOM 427 CG1 ILE A 32 2.081 4.826 -9.435 1.00 0.00 C ATOM 428 CG2 ILE A 32 0.934 6.579 -8.055 1.00 0.00 C ATOM 429 CD1 ILE A 32 3.031 4.420 -8.330 1.00 0.00 C ATOM 0 H ILE A 32 -0.846 3.227 -9.758 1.00 0.00 H new ATOM 0 HA ILE A 32 0.629 3.929 -7.301 1.00 0.00 H new ATOM 0 HB ILE A 32 0.126 5.625 -9.783 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.907 3.969 -10.086 1.00 0.00 H new ATOM 0 HG13 ILE A 32 2.553 5.598 -10.043 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.454 7.348 -8.627 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -0.037 6.959 -7.736 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.527 6.315 -7.179 1.00 0.00 H new ATOM 0 HD11 ILE A 32 3.964 4.062 -8.765 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.235 5.280 -7.692 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.579 3.626 -7.735 1.00 0.00 H new ATOM 441 N LEU A 33 -1.536 4.621 -6.298 1.00 0.00 N ATOM 442 CA LEU A 33 -2.750 5.114 -5.656 1.00 0.00 C ATOM 443 C LEU A 33 -2.417 5.897 -4.391 1.00 0.00 C ATOM 444 O LEU A 33 -1.375 5.681 -3.772 1.00 0.00 O ATOM 445 CB LEU A 33 -3.681 3.948 -5.318 1.00 0.00 C ATOM 446 CG LEU A 33 -4.029 3.010 -6.474 1.00 0.00 C ATOM 447 CD1 LEU A 33 -2.916 1.997 -6.694 1.00 0.00 C ATOM 448 CD2 LEU A 33 -5.351 2.304 -6.209 1.00 0.00 C ATOM 0 H LEU A 33 -0.898 4.130 -5.672 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.254 5.783 -6.353 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.220 3.359 -4.525 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.608 4.355 -4.915 1.00 0.00 H new ATOM 0 HG LEU A 33 -4.134 3.606 -7.381 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.182 1.338 -7.521 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.989 2.520 -6.930 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.778 1.406 -5.789 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.583 1.641 -7.042 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.275 1.721 -5.291 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.144 3.044 -6.103 1.00 0.00 H new ATOM 460 N GLU A 34 -3.310 6.805 -4.011 1.00 0.00 N ATOM 461 CA GLU A 34 -3.111 7.620 -2.818 1.00 0.00 C ATOM 462 C GLU A 34 -4.114 7.246 -1.730 1.00 0.00 C ATOM 463 O GLU A 34 -5.325 7.289 -1.946 1.00 0.00 O ATOM 464 CB GLU A 34 -3.242 9.105 -3.159 1.00 0.00 C ATOM 465 CG GLU A 34 -2.547 10.022 -2.166 1.00 0.00 C ATOM 466 CD GLU A 34 -3.108 11.431 -2.181 1.00 0.00 C ATOM 467 OE1 GLU A 34 -3.261 11.997 -3.284 1.00 0.00 O ATOM 468 OE2 GLU A 34 -3.393 11.967 -1.090 1.00 0.00 O ATOM 0 H GLU A 34 -4.178 6.995 -4.512 1.00 0.00 H new ATOM 0 HA GLU A 34 -2.106 7.429 -2.443 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.828 9.279 -4.152 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.299 9.367 -3.204 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -2.645 9.606 -1.163 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -1.482 10.057 -2.393 1.00 0.00 H new ATOM 475 N VAL A 35 -3.600 6.879 -0.560 1.00 0.00 N ATOM 476 CA VAL A 35 -4.450 6.498 0.562 1.00 0.00 C ATOM 477 C VAL A 35 -5.109 7.720 1.191 1.00 0.00 C ATOM 478 O VAL A 35 -4.437 8.694 1.532 1.00 0.00 O ATOM 479 CB VAL A 35 -3.649 5.747 1.642 1.00 0.00 C ATOM 480 CG1 VAL A 35 -2.500 6.604 2.148 1.00 0.00 C ATOM 481 CG2 VAL A 35 -4.560 5.331 2.787 1.00 0.00 C ATOM 0 H VAL A 35 -2.600 6.838 -0.365 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.221 5.837 0.166 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.228 4.846 1.197 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.946 6.056 2.910 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -1.834 6.846 1.319 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.895 7.525 2.578 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -3.978 4.802 3.541 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.012 6.217 3.233 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -5.344 4.676 2.408 1.00 0.00 H new ATOM 491 N ILE A 36 -6.428 7.661 1.344 1.00 0.00 N ATOM 492 CA ILE A 36 -7.178 8.762 1.934 1.00 0.00 C ATOM 493 C ILE A 36 -7.326 8.581 3.441 1.00 0.00 C ATOM 494 O ILE A 36 -7.168 9.531 4.210 1.00 0.00 O ATOM 495 CB ILE A 36 -8.578 8.891 1.305 1.00 0.00 C ATOM 496 CG1 ILE A 36 -8.466 9.042 -0.214 1.00 0.00 C ATOM 497 CG2 ILE A 36 -9.322 10.074 1.907 1.00 0.00 C ATOM 498 CD1 ILE A 36 -7.863 10.360 -0.647 1.00 0.00 C ATOM 0 H ILE A 36 -6.999 6.862 1.067 1.00 0.00 H new ATOM 0 HA ILE A 36 -6.613 9.672 1.733 1.00 0.00 H new ATOM 0 HB ILE A 36 -9.143 7.984 1.521 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -7.859 8.227 -0.608 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -9.458 8.943 -0.655 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -10.310 10.152 1.452 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -9.428 9.928 2.982 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -8.762 10.990 1.718 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -7.814 10.398 -1.735 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -8.482 11.180 -0.283 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -6.858 10.453 -0.235 1.00 0.00 H new ATOM 510 N LEU A 37 -7.627 7.357 3.858 1.00 0.00 N ATOM 511 CA LEU A 37 -7.794 7.049 5.274 1.00 0.00 C ATOM 512 C LEU A 37 -7.256 5.659 5.597 1.00 0.00 C ATOM 513 O LEU A 37 -7.608 4.680 4.941 1.00 0.00 O ATOM 514 CB LEU A 37 -9.270 7.141 5.665 1.00 0.00 C ATOM 515 CG LEU A 37 -9.558 7.529 7.116 1.00 0.00 C ATOM 516 CD1 LEU A 37 -9.329 6.343 8.041 1.00 0.00 C ATOM 517 CD2 LEU A 37 -8.692 8.708 7.534 1.00 0.00 C ATOM 0 H LEU A 37 -7.761 6.560 3.235 1.00 0.00 H new ATOM 0 HA LEU A 37 -7.226 7.780 5.849 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -9.753 7.869 5.013 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -9.738 6.176 5.468 1.00 0.00 H new ATOM 0 HG LEU A 37 -10.604 7.827 7.192 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -9.539 6.638 9.069 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -9.991 5.526 7.755 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -8.293 6.015 7.962 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.910 8.971 8.569 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -7.640 8.437 7.442 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -8.905 9.562 6.891 1.00 0.00 H new ATOM 529 N GLU A 38 -6.402 5.582 6.613 1.00 0.00 N ATOM 530 CA GLU A 38 -5.817 4.312 7.024 1.00 0.00 C ATOM 531 C GLU A 38 -6.696 3.617 8.060 1.00 0.00 C ATOM 532 O GLU A 38 -7.015 4.188 9.102 1.00 0.00 O ATOM 533 CB GLU A 38 -4.414 4.531 7.594 1.00 0.00 C ATOM 534 CG GLU A 38 -3.417 5.053 6.572 1.00 0.00 C ATOM 535 CD GLU A 38 -3.383 6.567 6.511 1.00 0.00 C ATOM 536 OE1 GLU A 38 -3.378 7.205 7.584 1.00 0.00 O ATOM 537 OE2 GLU A 38 -3.360 7.114 5.388 1.00 0.00 O ATOM 0 H GLU A 38 -6.100 6.384 7.166 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.748 3.672 6.144 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.474 5.235 8.424 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -4.045 3.590 8.001 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.422 4.681 6.817 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.671 4.659 5.588 1.00 0.00 H new ATOM 544 N GLY A 39 -7.083 2.380 7.765 1.00 0.00 N ATOM 545 CA GLY A 39 -7.922 1.627 8.680 1.00 0.00 C ATOM 546 C GLY A 39 -7.115 0.849 9.700 1.00 0.00 C ATOM 547 O GLY A 39 -6.056 0.309 9.381 1.00 0.00 O ATOM 0 H GLY A 39 -6.831 1.886 6.909 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -8.594 2.311 9.198 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -8.546 0.937 8.112 1.00 0.00 H new ATOM 551 N GLU A 40 -7.615 0.794 10.930 1.00 0.00 N ATOM 552 CA GLU A 40 -6.930 0.078 12.001 1.00 0.00 C ATOM 553 C GLU A 40 -7.046 -1.431 11.807 1.00 0.00 C ATOM 554 O GLU A 40 -6.081 -2.169 12.007 1.00 0.00 O ATOM 555 CB GLU A 40 -7.509 0.474 13.361 1.00 0.00 C ATOM 556 CG GLU A 40 -6.541 0.277 14.515 1.00 0.00 C ATOM 557 CD GLU A 40 -7.067 0.842 15.820 1.00 0.00 C ATOM 558 OE1 GLU A 40 -8.126 0.373 16.287 1.00 0.00 O ATOM 559 OE2 GLU A 40 -6.417 1.753 16.375 1.00 0.00 O ATOM 0 H GLU A 40 -8.491 1.236 11.210 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.875 0.351 11.970 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -7.812 1.520 13.327 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -8.409 -0.112 13.548 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -6.341 -0.787 14.639 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -5.591 0.754 14.273 1.00 0.00 H new ATOM 566 N ASP A 41 -8.233 -1.882 11.417 1.00 0.00 N ATOM 567 CA ASP A 41 -8.476 -3.303 11.195 1.00 0.00 C ATOM 568 C ASP A 41 -7.629 -3.825 10.038 1.00 0.00 C ATOM 569 O ASP A 41 -7.104 -4.936 10.092 1.00 0.00 O ATOM 570 CB ASP A 41 -9.958 -3.550 10.910 1.00 0.00 C ATOM 571 CG ASP A 41 -10.800 -3.531 12.171 1.00 0.00 C ATOM 572 OD1 ASP A 41 -10.895 -4.583 12.837 1.00 0.00 O ATOM 573 OD2 ASP A 41 -11.366 -2.464 12.491 1.00 0.00 O ATOM 0 H ASP A 41 -9.042 -1.284 11.248 1.00 0.00 H new ATOM 0 HA ASP A 41 -8.193 -3.841 12.100 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -10.324 -2.790 10.220 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -10.074 -4.513 10.413 1.00 0.00 H new ATOM 578 N GLY A 42 -7.502 -3.014 8.992 1.00 0.00 N ATOM 579 CA GLY A 42 -6.719 -3.412 7.836 1.00 0.00 C ATOM 580 C GLY A 42 -7.249 -2.821 6.545 1.00 0.00 C ATOM 581 O GLY A 42 -6.509 -2.673 5.573 1.00 0.00 O ATOM 0 H GLY A 42 -7.927 -2.089 8.924 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -5.684 -3.100 7.977 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -6.716 -4.499 7.760 1.00 0.00 H new ATOM 585 N TRP A 43 -8.533 -2.484 6.534 1.00 0.00 N ATOM 586 CA TRP A 43 -9.162 -1.907 5.352 1.00 0.00 C ATOM 587 C TRP A 43 -8.690 -0.475 5.128 1.00 0.00 C ATOM 588 O TRP A 43 -9.124 0.447 5.819 1.00 0.00 O ATOM 589 CB TRP A 43 -10.685 -1.939 5.492 1.00 0.00 C ATOM 590 CG TRP A 43 -11.265 -3.315 5.363 1.00 0.00 C ATOM 591 CD1 TRP A 43 -11.935 -4.015 6.325 1.00 0.00 C ATOM 592 CD2 TRP A 43 -11.224 -4.157 4.205 1.00 0.00 C ATOM 593 NE1 TRP A 43 -12.313 -5.242 5.835 1.00 0.00 N ATOM 594 CE2 TRP A 43 -11.890 -5.353 4.537 1.00 0.00 C ATOM 595 CE3 TRP A 43 -10.692 -4.016 2.921 1.00 0.00 C ATOM 596 CZ2 TRP A 43 -12.035 -6.400 3.631 1.00 0.00 C ATOM 597 CZ3 TRP A 43 -10.836 -5.056 2.023 1.00 0.00 C ATOM 598 CH2 TRP A 43 -11.504 -6.235 2.380 1.00 0.00 C ATOM 0 H TRP A 43 -9.159 -2.600 7.331 1.00 0.00 H new ATOM 0 HA TRP A 43 -8.871 -2.505 4.488 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -10.962 -1.525 6.462 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -11.126 -1.294 4.732 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -12.138 -3.657 7.324 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -12.826 -5.955 6.354 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -10.177 -3.110 2.635 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -12.548 -7.310 3.905 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -10.427 -4.959 1.028 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -11.602 -7.029 1.654 1.00 0.00 H new ATOM 609 N TRP A 44 -7.799 -0.295 4.159 1.00 0.00 N ATOM 610 CA TRP A 44 -7.268 1.026 3.845 1.00 0.00 C ATOM 611 C TRP A 44 -8.002 1.640 2.658 1.00 0.00 C ATOM 612 O TRP A 44 -8.339 0.946 1.698 1.00 0.00 O ATOM 613 CB TRP A 44 -5.771 0.939 3.545 1.00 0.00 C ATOM 614 CG TRP A 44 -4.924 0.818 4.777 1.00 0.00 C ATOM 615 CD1 TRP A 44 -5.199 0.077 5.890 1.00 0.00 C ATOM 616 CD2 TRP A 44 -3.667 1.460 5.019 1.00 0.00 C ATOM 617 NE1 TRP A 44 -4.188 0.219 6.810 1.00 0.00 N ATOM 618 CE2 TRP A 44 -3.236 1.062 6.299 1.00 0.00 C ATOM 619 CE3 TRP A 44 -2.863 2.330 4.278 1.00 0.00 C ATOM 620 CZ2 TRP A 44 -2.038 1.506 6.853 1.00 0.00 C ATOM 621 CZ3 TRP A 44 -1.674 2.770 4.828 1.00 0.00 C ATOM 622 CH2 TRP A 44 -1.271 2.357 6.105 1.00 0.00 C ATOM 0 H TRP A 44 -7.429 -1.047 3.578 1.00 0.00 H new ATOM 0 HA TRP A 44 -7.420 1.667 4.713 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -5.586 0.080 2.900 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -5.467 1.826 2.989 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -6.081 -0.531 6.027 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -4.152 -0.230 7.725 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -3.165 2.653 3.293 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -1.726 1.190 7.837 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -1.045 3.443 4.264 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -0.336 2.718 6.507 1.00 0.00 H new ATOM 633 N THR A 45 -8.246 2.944 2.728 1.00 0.00 N ATOM 634 CA THR A 45 -8.941 3.651 1.659 1.00 0.00 C ATOM 635 C THR A 45 -7.954 4.341 0.725 1.00 0.00 C ATOM 636 O THR A 45 -7.051 5.048 1.171 1.00 0.00 O ATOM 637 CB THR A 45 -9.918 4.700 2.222 1.00 0.00 C ATOM 638 OG1 THR A 45 -10.754 4.106 3.221 1.00 0.00 O ATOM 639 CG2 THR A 45 -10.781 5.285 1.114 1.00 0.00 C ATOM 0 H THR A 45 -7.973 3.533 3.514 1.00 0.00 H new ATOM 0 HA THR A 45 -9.505 2.904 1.100 1.00 0.00 H new ATOM 0 HB THR A 45 -9.334 5.504 2.670 1.00 0.00 H new ATOM 0 HG1 THR A 45 -11.371 4.780 3.575 1.00 0.00 H new ATOM 0 HG21 THR A 45 -11.463 6.023 1.536 1.00 0.00 H new ATOM 0 HG22 THR A 45 -10.143 5.763 0.370 1.00 0.00 H new ATOM 0 HG23 THR A 45 -11.356 4.488 0.641 1.00 0.00 H new ATOM 647 N VAL A 46 -8.133 4.132 -0.576 1.00 0.00 N ATOM 648 CA VAL A 46 -7.260 4.736 -1.575 1.00 0.00 C ATOM 649 C VAL A 46 -8.057 5.226 -2.778 1.00 0.00 C ATOM 650 O VAL A 46 -9.182 4.785 -3.010 1.00 0.00 O ATOM 651 CB VAL A 46 -6.184 3.743 -2.054 1.00 0.00 C ATOM 652 CG1 VAL A 46 -5.238 3.391 -0.917 1.00 0.00 C ATOM 653 CG2 VAL A 46 -6.833 2.492 -2.626 1.00 0.00 C ATOM 0 H VAL A 46 -8.875 3.549 -0.962 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.772 5.585 -1.097 1.00 0.00 H new ATOM 0 HB VAL A 46 -5.602 4.217 -2.844 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.485 2.689 -1.274 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -4.748 4.296 -0.558 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.801 2.936 -0.103 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.059 1.801 -2.960 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -7.440 2.013 -1.858 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.465 2.764 -3.471 1.00 0.00 H new ATOM 663 N GLU A 47 -7.465 6.139 -3.542 1.00 0.00 N ATOM 664 CA GLU A 47 -8.121 6.689 -4.722 1.00 0.00 C ATOM 665 C GLU A 47 -7.278 6.454 -5.972 1.00 0.00 C ATOM 666 O GLU A 47 -6.049 6.428 -5.909 1.00 0.00 O ATOM 667 CB GLU A 47 -8.377 8.186 -4.540 1.00 0.00 C ATOM 668 CG GLU A 47 -9.452 8.737 -5.462 1.00 0.00 C ATOM 669 CD GLU A 47 -10.845 8.602 -4.879 1.00 0.00 C ATOM 670 OE1 GLU A 47 -10.958 8.316 -3.669 1.00 0.00 O ATOM 671 OE2 GLU A 47 -11.824 8.782 -5.634 1.00 0.00 O ATOM 0 H GLU A 47 -6.533 6.513 -3.365 1.00 0.00 H new ATOM 0 HA GLU A 47 -9.075 6.178 -4.847 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -8.666 8.373 -3.506 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -7.448 8.729 -4.714 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -9.247 9.788 -5.665 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.410 8.214 -6.417 1.00 0.00 H new ATOM 678 N ARG A 48 -7.948 6.282 -7.107 1.00 0.00 N ATOM 679 CA ARG A 48 -7.261 6.048 -8.371 1.00 0.00 C ATOM 680 C ARG A 48 -8.042 6.652 -9.535 1.00 0.00 C ATOM 681 O ARG A 48 -9.124 6.179 -9.881 1.00 0.00 O ATOM 682 CB ARG A 48 -7.065 4.548 -8.599 1.00 0.00 C ATOM 683 CG ARG A 48 -6.047 4.223 -9.680 1.00 0.00 C ATOM 684 CD ARG A 48 -5.792 2.727 -9.774 1.00 0.00 C ATOM 685 NE ARG A 48 -5.301 2.337 -11.093 1.00 0.00 N ATOM 686 CZ ARG A 48 -4.107 2.678 -11.564 1.00 0.00 C ATOM 687 NH1 ARG A 48 -3.285 3.412 -10.826 1.00 0.00 N ATOM 688 NH2 ARG A 48 -3.732 2.285 -12.774 1.00 0.00 N ATOM 0 H ARG A 48 -8.965 6.300 -7.177 1.00 0.00 H new ATOM 0 HA ARG A 48 -6.286 6.532 -8.320 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -6.749 4.085 -7.664 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -8.023 4.102 -8.868 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -6.404 4.593 -10.641 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -5.111 4.740 -9.467 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -5.065 2.435 -9.016 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -6.714 2.188 -9.556 1.00 0.00 H new ATOM 0 HE ARG A 48 -5.909 1.771 -11.685 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -3.569 3.716 -9.895 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -2.368 3.673 -11.190 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -4.361 1.720 -13.344 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -2.815 2.548 -13.134 1.00 0.00 H new ATOM 702 N ASN A 49 -7.486 7.700 -10.133 1.00 0.00 N ATOM 703 CA ASN A 49 -8.131 8.370 -11.256 1.00 0.00 C ATOM 704 C ASN A 49 -9.584 8.701 -10.931 1.00 0.00 C ATOM 705 O ASN A 49 -10.458 8.622 -11.793 1.00 0.00 O ATOM 706 CB ASN A 49 -8.064 7.492 -12.507 1.00 0.00 C ATOM 707 CG ASN A 49 -6.766 7.670 -13.270 1.00 0.00 C ATOM 708 OD1 ASN A 49 -5.695 7.297 -12.791 1.00 0.00 O ATOM 709 ND2 ASN A 49 -6.856 8.243 -14.465 1.00 0.00 N ATOM 0 H ASN A 49 -6.590 8.104 -9.859 1.00 0.00 H new ATOM 0 HA ASN A 49 -7.598 9.302 -11.445 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -8.173 6.446 -12.220 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -8.902 7.732 -13.161 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -6.016 8.389 -15.025 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -7.765 8.537 -14.823 1.00 0.00 H new ATOM 716 N GLY A 50 -9.835 9.074 -9.679 1.00 0.00 N ATOM 717 CA GLY A 50 -11.183 9.412 -9.262 1.00 0.00 C ATOM 718 C GLY A 50 -11.914 8.233 -8.652 1.00 0.00 C ATOM 719 O GLY A 50 -12.789 8.408 -7.804 1.00 0.00 O ATOM 0 H GLY A 50 -9.129 9.148 -8.947 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -11.143 10.225 -8.537 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -11.745 9.779 -10.121 1.00 0.00 H new ATOM 723 N GLN A 51 -11.556 7.028 -9.086 1.00 0.00 N ATOM 724 CA GLN A 51 -12.187 5.816 -8.578 1.00 0.00 C ATOM 725 C GLN A 51 -11.764 5.544 -7.139 1.00 0.00 C ATOM 726 O GLN A 51 -10.576 5.416 -6.844 1.00 0.00 O ATOM 727 CB GLN A 51 -11.828 4.620 -9.463 1.00 0.00 C ATOM 728 CG GLN A 51 -12.799 4.399 -10.611 1.00 0.00 C ATOM 729 CD GLN A 51 -12.694 3.009 -11.205 1.00 0.00 C ATOM 730 OE1 GLN A 51 -11.615 2.415 -11.238 1.00 0.00 O ATOM 731 NE2 GLN A 51 -13.815 2.481 -11.680 1.00 0.00 N ATOM 0 H GLN A 51 -10.833 6.866 -9.787 1.00 0.00 H new ATOM 0 HA GLN A 51 -13.267 5.963 -8.598 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -10.827 4.766 -9.868 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -11.795 3.721 -8.848 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -13.817 4.563 -10.257 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -12.609 5.138 -11.390 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -14.687 3.008 -11.632 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -13.805 1.548 -12.093 1.00 0.00 H new ATOM 740 N ARG A 52 -12.745 5.456 -6.246 1.00 0.00 N ATOM 741 CA ARG A 52 -12.473 5.201 -4.836 1.00 0.00 C ATOM 742 C ARG A 52 -12.906 3.791 -4.446 1.00 0.00 C ATOM 743 O ARG A 52 -13.898 3.271 -4.956 1.00 0.00 O ATOM 744 CB ARG A 52 -13.196 6.228 -3.962 1.00 0.00 C ATOM 745 CG ARG A 52 -12.758 6.204 -2.506 1.00 0.00 C ATOM 746 CD ARG A 52 -13.668 7.057 -1.637 1.00 0.00 C ATOM 747 NE ARG A 52 -13.733 6.564 -0.264 1.00 0.00 N ATOM 748 CZ ARG A 52 -14.614 6.996 0.632 1.00 0.00 C ATOM 749 NH1 ARG A 52 -15.499 7.926 0.300 1.00 0.00 N ATOM 750 NH2 ARG A 52 -14.610 6.498 1.862 1.00 0.00 N ATOM 0 H ARG A 52 -13.734 5.557 -6.474 1.00 0.00 H new ATOM 0 HA ARG A 52 -11.398 5.290 -4.676 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -13.023 7.225 -4.368 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -14.269 6.045 -4.013 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -12.762 5.177 -2.141 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -11.733 6.567 -2.427 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -13.308 8.086 -1.636 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -14.670 7.070 -2.065 1.00 0.00 H new ATOM 0 HE ARG A 52 -13.065 5.848 0.023 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -15.504 8.311 -0.645 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -16.175 8.256 0.989 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -13.930 5.783 2.120 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -15.287 6.830 2.549 1.00 0.00 H new ATOM 764 N GLY A 53 -12.153 3.176 -3.538 1.00 0.00 N ATOM 765 CA GLY A 53 -12.474 1.832 -3.096 1.00 0.00 C ATOM 766 C GLY A 53 -11.817 1.483 -1.775 1.00 0.00 C ATOM 767 O GLY A 53 -11.120 2.308 -1.184 1.00 0.00 O ATOM 0 H GLY A 53 -11.327 3.585 -3.101 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -13.555 1.734 -2.998 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -12.157 1.118 -3.856 1.00 0.00 H new ATOM 771 N PHE A 54 -12.040 0.259 -1.310 1.00 0.00 N ATOM 772 CA PHE A 54 -11.467 -0.196 -0.048 1.00 0.00 C ATOM 773 C PHE A 54 -10.597 -1.431 -0.261 1.00 0.00 C ATOM 774 O PHE A 54 -11.056 -2.445 -0.786 1.00 0.00 O ATOM 775 CB PHE A 54 -12.577 -0.506 0.958 1.00 0.00 C ATOM 776 CG PHE A 54 -13.606 0.582 1.071 1.00 0.00 C ATOM 777 CD1 PHE A 54 -13.287 1.798 1.653 1.00 0.00 C ATOM 778 CD2 PHE A 54 -14.892 0.389 0.593 1.00 0.00 C ATOM 779 CE1 PHE A 54 -14.233 2.800 1.758 1.00 0.00 C ATOM 780 CE2 PHE A 54 -15.842 1.388 0.695 1.00 0.00 C ATOM 781 CZ PHE A 54 -15.511 2.595 1.278 1.00 0.00 C ATOM 0 H PHE A 54 -12.613 -0.436 -1.788 1.00 0.00 H new ATOM 0 HA PHE A 54 -10.841 0.604 0.348 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -13.071 -1.433 0.667 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -12.131 -0.676 1.938 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -12.288 1.965 2.029 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -15.155 -0.553 0.135 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -13.973 3.743 2.215 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -16.841 1.225 0.319 1.00 0.00 H new ATOM 0 HZ PHE A 54 -16.251 3.378 1.358 1.00 0.00 H new ATOM 791 N VAL A 55 -9.336 -1.338 0.151 1.00 0.00 N ATOM 792 CA VAL A 55 -8.401 -2.447 0.007 1.00 0.00 C ATOM 793 C VAL A 55 -7.510 -2.577 1.238 1.00 0.00 C ATOM 794 O VAL A 55 -7.219 -1.602 1.930 1.00 0.00 O ATOM 795 CB VAL A 55 -7.513 -2.274 -1.240 1.00 0.00 C ATOM 796 CG1 VAL A 55 -8.368 -2.034 -2.475 1.00 0.00 C ATOM 797 CG2 VAL A 55 -6.525 -1.136 -1.036 1.00 0.00 C ATOM 0 H VAL A 55 -8.939 -0.506 0.587 1.00 0.00 H new ATOM 0 HA VAL A 55 -8.998 -3.352 -0.104 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.947 -3.193 -1.392 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.724 -1.914 -3.346 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -9.032 -2.885 -2.629 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -8.962 -1.131 -2.336 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -5.906 -1.028 -1.926 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.070 -0.209 -0.858 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.890 -1.355 -0.177 1.00 0.00 H new ATOM 807 N PRO A 56 -7.065 -3.811 1.518 1.00 0.00 N ATOM 808 CA PRO A 56 -6.200 -4.099 2.665 1.00 0.00 C ATOM 809 C PRO A 56 -4.797 -3.527 2.491 1.00 0.00 C ATOM 810 O PRO A 56 -4.202 -3.630 1.419 1.00 0.00 O ATOM 811 CB PRO A 56 -6.153 -5.629 2.699 1.00 0.00 C ATOM 812 CG PRO A 56 -6.428 -6.047 1.296 1.00 0.00 C ATOM 813 CD PRO A 56 -7.372 -5.020 0.735 1.00 0.00 C ATOM 0 HA PRO A 56 -6.578 -3.650 3.583 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -5.180 -5.988 3.036 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -6.897 -6.033 3.386 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -5.507 -6.090 0.714 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -6.871 -7.042 1.265 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -7.206 -4.861 -0.331 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -8.412 -5.323 0.854 1.00 0.00 H new ATOM 821 N GLY A 57 -4.273 -2.923 3.554 1.00 0.00 N ATOM 822 CA GLY A 57 -2.944 -2.344 3.497 1.00 0.00 C ATOM 823 C GLY A 57 -1.879 -3.368 3.159 1.00 0.00 C ATOM 824 O GLY A 57 -0.894 -3.052 2.491 1.00 0.00 O ATOM 0 H GLY A 57 -4.745 -2.825 4.453 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -2.929 -1.549 2.751 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -2.710 -1.884 4.457 1.00 0.00 H new ATOM 828 N SER A 58 -2.074 -4.598 3.622 1.00 0.00 N ATOM 829 CA SER A 58 -1.120 -5.671 3.369 1.00 0.00 C ATOM 830 C SER A 58 -0.672 -5.667 1.911 1.00 0.00 C ATOM 831 O SER A 58 0.442 -6.085 1.591 1.00 0.00 O ATOM 832 CB SER A 58 -1.738 -7.026 3.721 1.00 0.00 C ATOM 833 OG SER A 58 -0.735 -8.003 3.939 1.00 0.00 O ATOM 0 H SER A 58 -2.885 -4.877 4.175 1.00 0.00 H new ATOM 0 HA SER A 58 -0.247 -5.503 4.000 1.00 0.00 H new ATOM 0 HB2 SER A 58 -2.354 -6.927 4.615 1.00 0.00 H new ATOM 0 HB3 SER A 58 -2.396 -7.350 2.915 1.00 0.00 H new ATOM 0 HG SER A 58 -1.156 -8.859 4.164 1.00 0.00 H new ATOM 839 N TYR A 59 -1.546 -5.192 1.031 1.00 0.00 N ATOM 840 CA TYR A 59 -1.243 -5.135 -0.394 1.00 0.00 C ATOM 841 C TYR A 59 -0.857 -3.719 -0.812 1.00 0.00 C ATOM 842 O TYR A 59 -1.148 -3.288 -1.929 1.00 0.00 O ATOM 843 CB TYR A 59 -2.444 -5.611 -1.212 1.00 0.00 C ATOM 844 CG TYR A 59 -2.752 -7.081 -1.036 1.00 0.00 C ATOM 845 CD1 TYR A 59 -3.293 -7.560 0.151 1.00 0.00 C ATOM 846 CD2 TYR A 59 -2.503 -7.990 -2.056 1.00 0.00 C ATOM 847 CE1 TYR A 59 -3.576 -8.902 0.316 1.00 0.00 C ATOM 848 CE2 TYR A 59 -2.784 -9.334 -1.900 1.00 0.00 C ATOM 849 CZ TYR A 59 -3.319 -9.785 -0.712 1.00 0.00 C ATOM 850 OH TYR A 59 -3.601 -11.123 -0.552 1.00 0.00 O ATOM 0 H TYR A 59 -2.471 -4.841 1.280 1.00 0.00 H new ATOM 0 HA TYR A 59 -0.397 -5.795 -0.587 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -3.320 -5.028 -0.928 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -2.257 -5.411 -2.267 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -3.496 -6.872 0.958 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -2.082 -7.640 -2.987 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -3.996 -9.258 1.245 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -2.586 -10.027 -2.704 1.00 0.00 H new ATOM 0 HH TYR A 59 -3.362 -11.608 -1.370 1.00 0.00 H new ATOM 860 N LEU A 60 -0.200 -3.001 0.091 1.00 0.00 N ATOM 861 CA LEU A 60 0.227 -1.633 -0.183 1.00 0.00 C ATOM 862 C LEU A 60 1.616 -1.371 0.391 1.00 0.00 C ATOM 863 O LEU A 60 1.927 -1.793 1.505 1.00 0.00 O ATOM 864 CB LEU A 60 -0.775 -0.637 0.404 1.00 0.00 C ATOM 865 CG LEU A 60 -2.138 -0.571 -0.287 1.00 0.00 C ATOM 866 CD1 LEU A 60 -3.099 0.296 0.511 1.00 0.00 C ATOM 867 CD2 LEU A 60 -1.991 -0.043 -1.706 1.00 0.00 C ATOM 0 H LEU A 60 0.049 -3.343 1.019 1.00 0.00 H new ATOM 0 HA LEU A 60 0.269 -1.502 -1.264 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.933 -0.887 1.453 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.328 0.357 0.377 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.548 -1.580 -0.337 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.063 0.331 0.004 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.228 -0.126 1.508 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.695 1.305 0.594 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.970 -0.003 -2.183 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.559 0.957 -1.679 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.338 -0.705 -2.275 1.00 0.00 H new ATOM 879 N GLU A 61 2.446 -0.671 -0.376 1.00 0.00 N ATOM 880 CA GLU A 61 3.801 -0.353 0.058 1.00 0.00 C ATOM 881 C GLU A 61 4.011 1.158 0.120 1.00 0.00 C ATOM 882 O GLU A 61 4.106 1.826 -0.909 1.00 0.00 O ATOM 883 CB GLU A 61 4.825 -0.982 -0.889 1.00 0.00 C ATOM 884 CG GLU A 61 6.250 -0.518 -0.640 1.00 0.00 C ATOM 885 CD GLU A 61 6.764 -0.920 0.729 1.00 0.00 C ATOM 886 OE1 GLU A 61 6.328 -1.972 1.241 1.00 0.00 O ATOM 887 OE2 GLU A 61 7.602 -0.182 1.288 1.00 0.00 O ATOM 0 H GLU A 61 2.204 -0.314 -1.300 1.00 0.00 H new ATOM 0 HA GLU A 61 3.941 -0.764 1.058 1.00 0.00 H new ATOM 0 HB2 GLU A 61 4.782 -2.066 -0.788 1.00 0.00 H new ATOM 0 HB3 GLU A 61 4.549 -0.746 -1.917 1.00 0.00 H new ATOM 0 HG2 GLU A 61 6.903 -0.936 -1.406 1.00 0.00 H new ATOM 0 HG3 GLU A 61 6.297 0.567 -0.738 1.00 0.00 H new ATOM 894 N LYS A 62 4.083 1.689 1.336 1.00 0.00 N ATOM 895 CA LYS A 62 4.282 3.119 1.536 1.00 0.00 C ATOM 896 C LYS A 62 5.620 3.568 0.956 1.00 0.00 C ATOM 897 O LYS A 62 6.682 3.183 1.446 1.00 0.00 O ATOM 898 CB LYS A 62 4.221 3.460 3.027 1.00 0.00 C ATOM 899 CG LYS A 62 4.462 4.930 3.325 1.00 0.00 C ATOM 900 CD LYS A 62 5.037 5.130 4.717 1.00 0.00 C ATOM 901 CE LYS A 62 3.964 5.002 5.787 1.00 0.00 C ATOM 902 NZ LYS A 62 3.715 3.581 6.156 1.00 0.00 N ATOM 0 H LYS A 62 4.006 1.150 2.198 1.00 0.00 H new ATOM 0 HA LYS A 62 3.484 3.648 1.015 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.244 3.174 3.417 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.963 2.864 3.558 1.00 0.00 H new ATOM 0 HG2 LYS A 62 5.146 5.345 2.585 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.524 5.479 3.235 1.00 0.00 H new ATOM 0 HD2 LYS A 62 5.821 4.395 4.897 1.00 0.00 H new ATOM 0 HD3 LYS A 62 5.502 6.114 4.782 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.267 5.560 6.673 1.00 0.00 H new ATOM 0 HE3 LYS A 62 3.038 5.452 5.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.428 3.527 7.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.958 3.194 5.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 4.585 3.028 6.015 1.00 0.00 H new ATOM 916 N LEU A 63 5.561 4.386 -0.090 1.00 0.00 N ATOM 917 CA LEU A 63 6.768 4.889 -0.736 1.00 0.00 C ATOM 918 C LEU A 63 7.399 6.008 0.085 1.00 0.00 C ATOM 919 O LEU A 63 7.132 7.188 -0.145 1.00 0.00 O ATOM 920 CB LEU A 63 6.444 5.394 -2.143 1.00 0.00 C ATOM 921 CG LEU A 63 5.924 4.348 -3.129 1.00 0.00 C ATOM 922 CD1 LEU A 63 5.098 5.007 -4.222 1.00 0.00 C ATOM 923 CD2 LEU A 63 7.080 3.562 -3.732 1.00 0.00 C ATOM 0 H LEU A 63 4.691 4.715 -0.508 1.00 0.00 H new ATOM 0 HA LEU A 63 7.482 4.068 -0.806 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.701 6.187 -2.060 1.00 0.00 H new ATOM 0 HB3 LEU A 63 7.344 5.843 -2.562 1.00 0.00 H new ATOM 0 HG LEU A 63 5.282 3.654 -2.587 1.00 0.00 H new ATOM 0 HD11 LEU A 63 4.737 4.246 -4.914 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.249 5.523 -3.775 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.716 5.725 -4.762 1.00 0.00 H new ATOM 0 HD21 LEU A 63 6.691 2.822 -4.431 1.00 0.00 H new ATOM 0 HD22 LEU A 63 7.748 4.244 -4.259 1.00 0.00 H new ATOM 0 HD23 LEU A 63 7.630 3.057 -2.938 1.00 0.00 H new