USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 470 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 60 ASN : amide:sc= -0.495 K(o=-0.49,f=-1.3) USER MOD Set 1.2: A 63 THR OG1 : rot 180:sc= 0.00629 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 GLN :FLIP amide:sc= 0 F(o=-0.68,f=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 78:sc= -0.129 USER MOD Single : A 15 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.11) USER MOD Single : A 16 LYS NZ :NH3+ -112:sc= 0.0383 (180deg=0) USER MOD Single : A 25 HIS : no HD1:sc= -1.59 K(o=-1.6,f=-4.2!) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -0.374 X(o=-0.37,f=-0.12) USER MOD Single : A 49 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0302) USER MOD Single : A 57 ASN :FLIP amide:sc= -0.454 F(o=-4.3!,f=-0.45) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 112:sc= 0.0563 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 50:sc= -0.69 USER MOD ----------------------------------------------------------------- ATOM 81 N TYR A 6 5.042 -5.135 -13.793 1.00 0.00 N ATOM 82 CA TYR A 6 3.719 -4.892 -14.463 1.00 0.00 C ATOM 83 C TYR A 6 3.319 -3.418 -14.270 1.00 0.00 C ATOM 84 O TYR A 6 3.286 -2.934 -13.153 1.00 0.00 O ATOM 85 CB TYR A 6 2.605 -5.821 -13.846 1.00 0.00 C ATOM 86 CG TYR A 6 3.144 -6.947 -12.932 1.00 0.00 C ATOM 87 CD1 TYR A 6 4.088 -7.845 -13.394 1.00 0.00 C ATOM 88 CD2 TYR A 6 2.687 -7.077 -11.630 1.00 0.00 C ATOM 89 CE1 TYR A 6 4.557 -8.850 -12.578 1.00 0.00 C ATOM 90 CE2 TYR A 6 3.159 -8.084 -10.815 1.00 0.00 C ATOM 91 CZ TYR A 6 4.100 -8.979 -11.283 1.00 0.00 C ATOM 92 OH TYR A 6 4.574 -9.990 -10.469 1.00 0.00 O ATOM 0 HA TYR A 6 3.814 -5.120 -15.525 1.00 0.00 H new ATOM 0 HB2 TYR A 6 1.912 -5.205 -13.273 1.00 0.00 H new ATOM 0 HB3 TYR A 6 2.034 -6.271 -14.658 1.00 0.00 H new ATOM 0 HD1 TYR A 6 4.461 -7.758 -14.404 1.00 0.00 H new ATOM 0 HD2 TYR A 6 1.953 -6.382 -11.250 1.00 0.00 H new ATOM 0 HE1 TYR A 6 5.291 -9.546 -12.956 1.00 0.00 H new ATOM 0 HE2 TYR A 6 2.790 -8.173 -9.804 1.00 0.00 H new ATOM 0 HH TYR A 6 4.145 -9.931 -9.590 1.00 0.00 H new ATOM 102 N GLN A 7 3.027 -2.751 -15.364 1.00 0.00 N ATOM 103 CA GLN A 7 2.742 -1.281 -15.319 1.00 0.00 C ATOM 104 C GLN A 7 1.231 -1.016 -15.356 1.00 0.00 C ATOM 105 O GLN A 7 0.451 -1.837 -15.806 1.00 0.00 O ATOM 106 CB GLN A 7 3.399 -0.586 -16.525 1.00 0.00 C ATOM 107 CG GLN A 7 4.827 -0.133 -16.159 1.00 0.00 C ATOM 108 CD GLN A 7 5.582 0.403 -17.393 1.00 0.00 C ATOM 109 OE1 GLN A 7 5.018 0.412 -18.573 1.00 0.00 O flip ATOM 110 NE2 GLN A 7 6.714 0.828 -17.290 1.00 0.00 N flip ATOM 0 H GLN A 7 2.974 -3.167 -16.294 1.00 0.00 H new ATOM 0 HA GLN A 7 3.150 -0.885 -14.389 1.00 0.00 H new ATOM 0 HB2 GLN A 7 3.431 -1.268 -17.375 1.00 0.00 H new ATOM 0 HB3 GLN A 7 2.802 0.274 -16.829 1.00 0.00 H new ATOM 0 HG2 GLN A 7 4.779 0.643 -15.395 1.00 0.00 H new ATOM 0 HG3 GLN A 7 5.377 -0.970 -15.730 1.00 0.00 H new ATOM 0 HE21 GLN A 7 7.176 0.832 -16.381 1.00 0.00 H new ATOM 0 HE22 GLN A 7 7.203 1.181 -18.113 1.00 0.00 H new ATOM 119 N TYR A 8 0.887 0.148 -14.867 1.00 0.00 N ATOM 120 CA TYR A 8 -0.539 0.567 -14.736 1.00 0.00 C ATOM 121 C TYR A 8 -0.587 2.073 -15.031 1.00 0.00 C ATOM 122 O TYR A 8 0.118 2.847 -14.408 1.00 0.00 O ATOM 123 CB TYR A 8 -1.036 0.290 -13.293 1.00 0.00 C ATOM 124 CG TYR A 8 -0.985 -1.220 -12.985 1.00 0.00 C ATOM 125 CD1 TYR A 8 0.214 -1.810 -12.640 1.00 0.00 C ATOM 126 CD2 TYR A 8 -2.121 -2.004 -13.056 1.00 0.00 C ATOM 127 CE1 TYR A 8 0.279 -3.159 -12.366 1.00 0.00 C ATOM 128 CE2 TYR A 8 -2.053 -3.359 -12.782 1.00 0.00 C ATOM 129 CZ TYR A 8 -0.849 -3.944 -12.437 1.00 0.00 C ATOM 130 OH TYR A 8 -0.773 -5.297 -12.169 1.00 0.00 O ATOM 0 H TYR A 8 1.558 0.845 -14.544 1.00 0.00 H new ATOM 0 HA TYR A 8 -1.179 0.015 -15.425 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -0.418 0.834 -12.579 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -2.056 0.657 -13.177 1.00 0.00 H new ATOM 0 HD1 TYR A 8 1.110 -1.209 -12.584 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -3.066 -1.557 -13.327 1.00 0.00 H new ATOM 0 HE1 TYR A 8 1.224 -3.604 -12.093 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -2.946 -3.963 -12.838 1.00 0.00 H new ATOM 0 HH TYR A 8 -1.661 -5.700 -12.264 1.00 0.00 H new ATOM 140 N ARG A 9 -1.416 2.429 -15.976 1.00 0.00 N ATOM 141 CA ARG A 9 -1.652 3.867 -16.310 1.00 0.00 C ATOM 142 C ARG A 9 -2.826 4.354 -15.449 1.00 0.00 C ATOM 143 O ARG A 9 -3.912 3.812 -15.532 1.00 0.00 O ATOM 144 CB ARG A 9 -1.966 3.947 -17.821 1.00 0.00 C ATOM 145 CG ARG A 9 -2.307 5.388 -18.275 1.00 0.00 C ATOM 146 CD ARG A 9 -2.109 5.499 -19.804 1.00 0.00 C ATOM 147 NE ARG A 9 -2.632 6.835 -20.242 1.00 0.00 N ATOM 148 CZ ARG A 9 -2.808 7.110 -21.510 1.00 0.00 C ATOM 149 NH1 ARG A 9 -3.863 6.652 -22.129 1.00 0.00 N ATOM 150 NH2 ARG A 9 -1.925 7.846 -22.127 1.00 0.00 N ATOM 0 H ARG A 9 -1.951 1.771 -16.543 1.00 0.00 H new ATOM 0 HA ARG A 9 -0.788 4.499 -16.104 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -1.109 3.583 -18.388 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -2.803 3.288 -18.051 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -3.336 5.631 -18.011 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -1.668 6.105 -17.760 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -1.054 5.400 -20.060 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -2.638 4.696 -20.316 1.00 0.00 H new ATOM 0 HE ARG A 9 -2.854 7.541 -19.540 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -4.544 6.084 -21.625 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -4.006 6.862 -23.117 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -1.112 8.198 -21.622 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -2.048 8.069 -23.115 1.00 0.00 H new ATOM 164 N ALA A 10 -2.569 5.361 -14.650 1.00 0.00 N ATOM 165 CA ALA A 10 -3.683 6.092 -13.965 1.00 0.00 C ATOM 166 C ALA A 10 -4.743 6.553 -14.985 1.00 0.00 C ATOM 167 O ALA A 10 -4.437 7.288 -15.903 1.00 0.00 O ATOM 168 CB ALA A 10 -3.099 7.312 -13.221 1.00 0.00 C ATOM 0 H ALA A 10 -1.633 5.710 -14.442 1.00 0.00 H new ATOM 0 HA ALA A 10 -4.167 5.422 -13.255 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -3.903 7.851 -12.719 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -2.372 6.974 -12.483 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.609 7.974 -13.936 1.00 0.00 H new ATOM 174 N LEU A 11 -5.955 6.098 -14.783 1.00 0.00 N ATOM 175 CA LEU A 11 -7.099 6.525 -15.648 1.00 0.00 C ATOM 176 C LEU A 11 -7.503 7.964 -15.293 1.00 0.00 C ATOM 177 O LEU A 11 -7.697 8.782 -16.171 1.00 0.00 O ATOM 178 CB LEU A 11 -8.284 5.544 -15.416 1.00 0.00 C ATOM 179 CG LEU A 11 -9.072 5.241 -16.732 1.00 0.00 C ATOM 180 CD1 LEU A 11 -9.709 6.535 -17.311 1.00 0.00 C ATOM 181 CD2 LEU A 11 -8.167 4.542 -17.794 1.00 0.00 C ATOM 0 H LEU A 11 -6.204 5.439 -14.045 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.813 6.502 -16.700 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -7.904 4.611 -15.000 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -8.964 5.968 -14.678 1.00 0.00 H new ATOM 0 HG LEU A 11 -9.877 4.550 -16.480 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -10.251 6.296 -18.226 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -10.399 6.959 -16.581 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -8.925 7.259 -17.533 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -8.748 4.347 -18.695 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -7.325 5.190 -18.038 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -7.794 3.600 -17.391 1.00 0.00 H new ATOM 193 N TYR A 12 -7.617 8.213 -14.013 1.00 0.00 N ATOM 194 CA TYR A 12 -8.044 9.556 -13.508 1.00 0.00 C ATOM 195 C TYR A 12 -7.131 10.004 -12.365 1.00 0.00 C ATOM 196 O TYR A 12 -6.267 9.273 -11.918 1.00 0.00 O ATOM 197 CB TYR A 12 -9.513 9.460 -13.015 1.00 0.00 C ATOM 198 CG TYR A 12 -10.390 10.458 -13.790 1.00 0.00 C ATOM 199 CD1 TYR A 12 -10.981 10.093 -14.983 1.00 0.00 C ATOM 200 CD2 TYR A 12 -10.600 11.733 -13.300 1.00 0.00 C ATOM 201 CE1 TYR A 12 -11.767 10.988 -15.677 1.00 0.00 C ATOM 202 CE2 TYR A 12 -11.386 12.629 -13.994 1.00 0.00 C ATOM 203 CZ TYR A 12 -11.974 12.262 -15.186 1.00 0.00 C ATOM 204 OH TYR A 12 -12.761 13.159 -15.881 1.00 0.00 O ATOM 0 H TYR A 12 -7.428 7.528 -13.281 1.00 0.00 H new ATOM 0 HA TYR A 12 -7.973 10.291 -14.310 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -9.888 8.446 -13.156 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -9.562 9.672 -11.947 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -10.826 9.099 -15.376 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -10.145 12.030 -12.367 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -12.223 10.691 -16.610 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -11.542 13.623 -13.602 1.00 0.00 H new ATOM 0 HH TYR A 12 -12.800 14.007 -15.392 1.00 0.00 H new ATOM 214 N ASP A 13 -7.369 11.216 -11.939 1.00 0.00 N ATOM 215 CA ASP A 13 -6.640 11.834 -10.814 1.00 0.00 C ATOM 216 C ASP A 13 -7.217 11.341 -9.476 1.00 0.00 C ATOM 217 O ASP A 13 -8.421 11.328 -9.299 1.00 0.00 O ATOM 218 CB ASP A 13 -6.790 13.350 -10.960 1.00 0.00 C ATOM 219 CG ASP A 13 -6.706 13.814 -12.434 1.00 0.00 C ATOM 220 OD1 ASP A 13 -7.751 13.862 -13.063 1.00 0.00 O ATOM 221 OD2 ASP A 13 -5.593 14.098 -12.845 1.00 0.00 O ATOM 0 H ASP A 13 -8.076 11.824 -12.353 1.00 0.00 H new ATOM 0 HA ASP A 13 -5.585 11.560 -10.827 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -7.747 13.660 -10.539 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.011 13.846 -10.381 1.00 0.00 H new ATOM 226 N TYR A 14 -6.348 10.957 -8.572 1.00 0.00 N ATOM 227 CA TYR A 14 -6.755 10.669 -7.153 1.00 0.00 C ATOM 228 C TYR A 14 -5.965 11.604 -6.231 1.00 0.00 C ATOM 229 O TYR A 14 -4.773 11.452 -6.043 1.00 0.00 O ATOM 230 CB TYR A 14 -6.452 9.169 -6.879 1.00 0.00 C ATOM 231 CG TYR A 14 -6.306 8.799 -5.382 1.00 0.00 C ATOM 232 CD1 TYR A 14 -7.416 8.448 -4.640 1.00 0.00 C ATOM 233 CD2 TYR A 14 -5.066 8.798 -4.761 1.00 0.00 C ATOM 234 CE1 TYR A 14 -7.289 8.098 -3.310 1.00 0.00 C ATOM 235 CE2 TYR A 14 -4.943 8.448 -3.432 1.00 0.00 C ATOM 236 CZ TYR A 14 -6.056 8.096 -2.699 1.00 0.00 C ATOM 237 OH TYR A 14 -5.938 7.739 -1.369 1.00 0.00 O ATOM 0 H TYR A 14 -5.354 10.828 -8.758 1.00 0.00 H new ATOM 0 HA TYR A 14 -7.816 10.845 -6.974 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -7.251 8.567 -7.311 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -5.532 8.898 -7.397 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -8.392 8.447 -5.103 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -4.187 9.074 -5.324 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -8.167 7.823 -2.744 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -3.970 8.450 -2.964 1.00 0.00 H new ATOM 0 HH TYR A 14 -5.982 6.763 -1.287 1.00 0.00 H new ATOM 247 N LYS A 15 -6.682 12.552 -5.686 1.00 0.00 N ATOM 248 CA LYS A 15 -6.060 13.653 -4.912 1.00 0.00 C ATOM 249 C LYS A 15 -6.188 13.313 -3.419 1.00 0.00 C ATOM 250 O LYS A 15 -7.053 13.827 -2.735 1.00 0.00 O ATOM 251 CB LYS A 15 -6.814 14.938 -5.304 1.00 0.00 C ATOM 252 CG LYS A 15 -6.018 16.173 -4.876 1.00 0.00 C ATOM 253 CD LYS A 15 -5.242 16.791 -6.079 1.00 0.00 C ATOM 254 CE LYS A 15 -5.988 18.016 -6.650 1.00 0.00 C ATOM 255 NZ LYS A 15 -7.384 17.661 -7.029 1.00 0.00 N ATOM 0 H LYS A 15 -7.699 12.605 -5.750 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.999 13.792 -5.121 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -6.977 14.958 -6.382 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -7.797 14.949 -4.833 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -6.695 16.917 -4.456 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.315 15.901 -4.088 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -4.243 17.086 -5.758 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -5.117 16.041 -6.860 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -6.000 18.816 -5.910 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -5.456 18.396 -7.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -7.821 18.459 -7.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -7.374 16.825 -7.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -7.934 17.451 -6.172 1.00 0.00 H new ATOM 269 N LYS A 16 -5.316 12.449 -2.956 1.00 0.00 N ATOM 270 CA LYS A 16 -5.203 12.188 -1.484 1.00 0.00 C ATOM 271 C LYS A 16 -3.743 11.972 -1.063 1.00 0.00 C ATOM 272 O LYS A 16 -2.843 11.843 -1.870 1.00 0.00 O ATOM 273 CB LYS A 16 -5.990 10.918 -1.070 1.00 0.00 C ATOM 274 CG LYS A 16 -7.464 10.902 -1.551 1.00 0.00 C ATOM 275 CD LYS A 16 -8.362 11.739 -0.612 1.00 0.00 C ATOM 276 CE LYS A 16 -9.829 11.639 -1.078 1.00 0.00 C ATOM 277 NZ LYS A 16 -10.102 12.660 -2.128 1.00 0.00 N ATOM 0 H LYS A 16 -4.674 11.910 -3.537 1.00 0.00 H new ATOM 0 HA LYS A 16 -5.615 13.068 -0.991 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.479 10.041 -1.468 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.973 10.831 0.016 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -7.524 11.297 -2.565 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -7.827 9.875 -1.587 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -8.270 11.379 0.413 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -8.039 12.780 -0.615 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -10.027 10.641 -1.469 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -10.499 11.788 -0.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -10.757 13.376 -1.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -9.211 13.118 -2.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -10.529 12.200 -2.957 1.00 0.00 H new ATOM 291 N GLU A 17 -3.596 11.936 0.233 1.00 0.00 N ATOM 292 CA GLU A 17 -2.258 12.022 0.897 1.00 0.00 C ATOM 293 C GLU A 17 -2.320 11.267 2.239 1.00 0.00 C ATOM 294 O GLU A 17 -2.119 11.845 3.291 1.00 0.00 O ATOM 295 CB GLU A 17 -1.887 13.523 1.109 1.00 0.00 C ATOM 296 CG GLU A 17 -0.361 13.635 1.372 1.00 0.00 C ATOM 297 CD GLU A 17 0.103 15.083 1.141 1.00 0.00 C ATOM 298 OE1 GLU A 17 -0.200 15.890 2.005 1.00 0.00 O ATOM 299 OE2 GLU A 17 0.734 15.303 0.119 1.00 0.00 O ATOM 0 H GLU A 17 -4.376 11.847 0.884 1.00 0.00 H new ATOM 0 HA GLU A 17 -1.488 11.564 0.275 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.161 14.106 0.230 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -2.445 13.933 1.951 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.136 13.330 2.394 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.182 12.960 0.711 1.00 0.00 H new ATOM 306 N ARG A 18 -2.600 9.989 2.163 1.00 0.00 N ATOM 307 CA ARG A 18 -2.601 9.137 3.394 1.00 0.00 C ATOM 308 C ARG A 18 -1.196 8.569 3.599 1.00 0.00 C ATOM 309 O ARG A 18 -0.424 8.513 2.664 1.00 0.00 O ATOM 310 CB ARG A 18 -3.623 7.991 3.207 1.00 0.00 C ATOM 311 CG ARG A 18 -4.217 7.597 4.576 1.00 0.00 C ATOM 312 CD ARG A 18 -5.274 6.491 4.395 1.00 0.00 C ATOM 313 NE ARG A 18 -5.675 6.015 5.757 1.00 0.00 N ATOM 314 CZ ARG A 18 -6.310 4.882 5.928 1.00 0.00 C ATOM 315 NH1 ARG A 18 -6.967 4.339 4.939 1.00 0.00 N ATOM 316 NH2 ARG A 18 -6.268 4.323 7.106 1.00 0.00 N ATOM 0 H ARG A 18 -2.829 9.497 1.299 1.00 0.00 H new ATOM 0 HA ARG A 18 -2.881 9.724 4.269 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -4.418 8.306 2.532 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -3.138 7.129 2.748 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.425 7.249 5.238 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -4.669 8.469 5.050 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -6.139 6.874 3.854 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -4.869 5.668 3.806 1.00 0.00 H new ATOM 0 HE ARG A 18 -5.448 6.587 6.571 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -6.988 4.797 4.028 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -7.460 3.457 5.077 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -5.750 4.768 7.864 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -6.753 3.441 7.269 1.00 0.00 H new ATOM 330 N GLU A 19 -0.894 8.160 4.808 1.00 0.00 N ATOM 331 CA GLU A 19 0.488 7.659 5.122 1.00 0.00 C ATOM 332 C GLU A 19 0.838 6.429 4.272 1.00 0.00 C ATOM 333 O GLU A 19 1.990 6.064 4.139 1.00 0.00 O ATOM 334 CB GLU A 19 0.574 7.282 6.618 1.00 0.00 C ATOM 335 CG GLU A 19 0.123 8.478 7.478 1.00 0.00 C ATOM 336 CD GLU A 19 0.837 8.448 8.841 1.00 0.00 C ATOM 337 OE1 GLU A 19 1.943 8.961 8.887 1.00 0.00 O ATOM 338 OE2 GLU A 19 0.240 7.914 9.761 1.00 0.00 O ATOM 0 H GLU A 19 -1.544 8.150 5.594 1.00 0.00 H new ATOM 0 HA GLU A 19 1.198 8.454 4.892 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.056 6.416 6.822 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.595 7.001 6.875 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.347 9.412 6.962 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -0.957 8.445 7.623 1.00 0.00 H new ATOM 345 N GLU A 20 -0.196 5.847 3.725 1.00 0.00 N ATOM 346 CA GLU A 20 -0.057 4.676 2.812 1.00 0.00 C ATOM 347 C GLU A 20 -0.288 5.100 1.350 1.00 0.00 C ATOM 348 O GLU A 20 0.270 4.499 0.455 1.00 0.00 O ATOM 349 CB GLU A 20 -1.081 3.606 3.233 1.00 0.00 C ATOM 350 CG GLU A 20 -0.913 3.290 4.743 1.00 0.00 C ATOM 351 CD GLU A 20 -1.101 1.781 4.989 1.00 0.00 C ATOM 352 OE1 GLU A 20 -2.237 1.348 4.867 1.00 0.00 O ATOM 353 OE2 GLU A 20 -0.103 1.144 5.286 1.00 0.00 O ATOM 0 H GLU A 20 -1.159 6.145 3.879 1.00 0.00 H new ATOM 0 HA GLU A 20 0.952 4.270 2.883 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -2.093 3.959 3.035 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.939 2.700 2.644 1.00 0.00 H new ATOM 0 HG2 GLU A 20 0.076 3.602 5.080 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -1.641 3.855 5.325 1.00 0.00 H new ATOM 360 N ASP A 21 -1.097 6.115 1.151 1.00 0.00 N ATOM 361 CA ASP A 21 -1.460 6.558 -0.237 1.00 0.00 C ATOM 362 C ASP A 21 -0.636 7.775 -0.666 1.00 0.00 C ATOM 363 O ASP A 21 -0.006 8.423 0.145 1.00 0.00 O ATOM 364 CB ASP A 21 -2.961 6.915 -0.280 1.00 0.00 C ATOM 365 CG ASP A 21 -3.846 5.667 -0.064 1.00 0.00 C ATOM 366 OD1 ASP A 21 -3.470 4.614 -0.557 1.00 0.00 O ATOM 367 OD2 ASP A 21 -4.862 5.841 0.590 1.00 0.00 O ATOM 0 H ASP A 21 -1.526 6.661 1.898 1.00 0.00 H new ATOM 0 HA ASP A 21 -1.245 5.741 -0.926 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -3.182 7.656 0.488 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -3.200 7.370 -1.241 1.00 0.00 H new ATOM 372 N ILE A 22 -0.670 8.042 -1.946 1.00 0.00 N ATOM 373 CA ILE A 22 0.084 9.203 -2.524 1.00 0.00 C ATOM 374 C ILE A 22 -0.752 9.933 -3.576 1.00 0.00 C ATOM 375 O ILE A 22 -1.825 9.498 -3.946 1.00 0.00 O ATOM 376 CB ILE A 22 1.402 8.703 -3.183 1.00 0.00 C ATOM 377 CG1 ILE A 22 1.129 7.432 -4.057 1.00 0.00 C ATOM 378 CG2 ILE A 22 2.452 8.395 -2.087 1.00 0.00 C ATOM 379 CD1 ILE A 22 2.060 7.400 -5.286 1.00 0.00 C ATOM 0 H ILE A 22 -1.196 7.497 -2.629 1.00 0.00 H new ATOM 0 HA ILE A 22 0.310 9.894 -1.712 1.00 0.00 H new ATOM 0 HB ILE A 22 1.792 9.485 -3.834 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.280 6.534 -3.458 1.00 0.00 H new ATOM 0 HG13 ILE A 22 0.089 7.426 -4.383 1.00 0.00 H new ATOM 0 HG21 ILE A 22 3.373 8.045 -2.553 1.00 0.00 H new ATOM 0 HG22 ILE A 22 2.656 9.300 -1.514 1.00 0.00 H new ATOM 0 HG23 ILE A 22 2.067 7.623 -1.421 1.00 0.00 H new ATOM 0 HD11 ILE A 22 1.852 6.508 -5.877 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.889 8.288 -5.895 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.098 7.381 -4.955 1.00 0.00 H new ATOM 391 N ASP A 23 -0.205 11.036 -4.020 1.00 0.00 N ATOM 392 CA ASP A 23 -0.928 11.921 -4.977 1.00 0.00 C ATOM 393 C ASP A 23 -0.827 11.356 -6.395 1.00 0.00 C ATOM 394 O ASP A 23 0.247 11.008 -6.852 1.00 0.00 O ATOM 395 CB ASP A 23 -0.306 13.313 -4.908 1.00 0.00 C ATOM 396 CG ASP A 23 -0.678 13.931 -3.546 1.00 0.00 C ATOM 397 OD1 ASP A 23 -1.776 14.465 -3.481 1.00 0.00 O ATOM 398 OD2 ASP A 23 0.145 13.836 -2.649 1.00 0.00 O ATOM 0 H ASP A 23 0.724 11.363 -3.755 1.00 0.00 H new ATOM 0 HA ASP A 23 -1.984 11.977 -4.713 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.777 13.253 -5.017 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -0.674 13.936 -5.723 1.00 0.00 H new ATOM 403 N LEU A 24 -1.964 11.292 -7.035 1.00 0.00 N ATOM 404 CA LEU A 24 -2.066 10.672 -8.387 1.00 0.00 C ATOM 405 C LEU A 24 -2.778 11.637 -9.337 1.00 0.00 C ATOM 406 O LEU A 24 -3.761 12.252 -8.970 1.00 0.00 O ATOM 407 CB LEU A 24 -2.857 9.370 -8.268 1.00 0.00 C ATOM 408 CG LEU A 24 -1.987 8.255 -7.613 1.00 0.00 C ATOM 409 CD1 LEU A 24 -2.908 7.171 -6.975 1.00 0.00 C ATOM 410 CD2 LEU A 24 -1.050 7.617 -8.677 1.00 0.00 C ATOM 0 H LEU A 24 -2.845 11.652 -6.668 1.00 0.00 H new ATOM 0 HA LEU A 24 -1.072 10.461 -8.782 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.754 9.537 -7.671 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.187 9.048 -9.256 1.00 0.00 H new ATOM 0 HG LEU A 24 -1.371 8.695 -6.829 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.294 6.394 -6.519 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.537 7.631 -6.213 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.538 6.729 -7.747 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.446 6.839 -8.210 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.650 7.180 -9.475 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.396 8.384 -9.093 1.00 0.00 H new ATOM 422 N HIS A 25 -2.251 11.734 -10.528 1.00 0.00 N ATOM 423 CA HIS A 25 -2.814 12.653 -11.561 1.00 0.00 C ATOM 424 C HIS A 25 -2.941 11.859 -12.873 1.00 0.00 C ATOM 425 O HIS A 25 -2.615 10.688 -12.927 1.00 0.00 O ATOM 426 CB HIS A 25 -1.872 13.895 -11.763 1.00 0.00 C ATOM 427 CG HIS A 25 -0.699 13.943 -10.777 1.00 0.00 C ATOM 428 ND1 HIS A 25 -0.745 13.773 -9.492 1.00 0.00 N ATOM 429 CD2 HIS A 25 0.632 14.184 -11.039 1.00 0.00 C ATOM 430 CE1 HIS A 25 0.448 13.884 -8.998 1.00 0.00 C ATOM 431 NE2 HIS A 25 1.336 14.142 -9.923 1.00 0.00 N ATOM 0 H HIS A 25 -1.436 11.203 -10.835 1.00 0.00 H new ATOM 0 HA HIS A 25 -3.789 13.025 -11.246 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -1.480 13.882 -12.780 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -2.460 14.807 -11.660 1.00 0.00 H new ATOM 0 HD2 HIS A 25 1.042 14.380 -12.019 1.00 0.00 H new ATOM 0 HE1 HIS A 25 0.681 13.776 -7.949 1.00 0.00 H new ATOM 0 HE2 HIS A 25 2.340 14.279 -9.809 1.00 0.00 H new ATOM 439 N LEU A 26 -3.415 12.516 -13.899 1.00 0.00 N ATOM 440 CA LEU A 26 -3.394 11.907 -15.265 1.00 0.00 C ATOM 441 C LEU A 26 -1.949 11.665 -15.726 1.00 0.00 C ATOM 442 O LEU A 26 -1.038 12.364 -15.324 1.00 0.00 O ATOM 443 CB LEU A 26 -4.135 12.870 -16.225 1.00 0.00 C ATOM 444 CG LEU A 26 -5.676 12.784 -15.962 1.00 0.00 C ATOM 445 CD1 LEU A 26 -6.377 14.127 -16.318 1.00 0.00 C ATOM 446 CD2 LEU A 26 -6.292 11.623 -16.783 1.00 0.00 C ATOM 0 H LEU A 26 -3.818 13.452 -13.851 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.893 10.938 -15.257 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.786 13.891 -16.074 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.917 12.608 -17.260 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.832 12.591 -14.901 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -7.447 14.041 -16.126 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.962 14.928 -15.706 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -6.214 14.354 -17.372 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -7.364 11.572 -16.593 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.120 11.797 -17.845 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.826 10.682 -16.489 1.00 0.00 H new ATOM 458 N GLY A 27 -1.789 10.666 -16.554 1.00 0.00 N ATOM 459 CA GLY A 27 -0.447 10.344 -17.132 1.00 0.00 C ATOM 460 C GLY A 27 0.515 9.696 -16.128 1.00 0.00 C ATOM 461 O GLY A 27 1.563 9.215 -16.518 1.00 0.00 O ATOM 0 H GLY A 27 -2.542 10.049 -16.860 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -0.578 9.674 -17.981 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.003 11.260 -17.515 1.00 0.00 H new ATOM 465 N ASP A 28 0.138 9.703 -14.875 1.00 0.00 N ATOM 466 CA ASP A 28 0.983 9.039 -13.828 1.00 0.00 C ATOM 467 C ASP A 28 1.116 7.538 -14.129 1.00 0.00 C ATOM 468 O ASP A 28 0.134 6.823 -14.119 1.00 0.00 O ATOM 469 CB ASP A 28 0.331 9.231 -12.439 1.00 0.00 C ATOM 470 CG ASP A 28 0.491 10.688 -11.947 1.00 0.00 C ATOM 471 OD1 ASP A 28 0.235 11.586 -12.734 1.00 0.00 O ATOM 472 OD2 ASP A 28 0.861 10.824 -10.791 1.00 0.00 O ATOM 0 H ASP A 28 -0.717 10.138 -14.529 1.00 0.00 H new ATOM 0 HA ASP A 28 1.975 9.492 -13.833 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -0.727 8.976 -12.492 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.788 8.549 -11.722 1.00 0.00 H new ATOM 477 N ILE A 29 2.323 7.100 -14.389 1.00 0.00 N ATOM 478 CA ILE A 29 2.571 5.634 -14.582 1.00 0.00 C ATOM 479 C ILE A 29 3.093 5.027 -13.270 1.00 0.00 C ATOM 480 O ILE A 29 3.829 5.653 -12.531 1.00 0.00 O ATOM 481 CB ILE A 29 3.590 5.503 -15.803 1.00 0.00 C ATOM 482 CG1 ILE A 29 2.923 4.678 -16.941 1.00 0.00 C ATOM 483 CG2 ILE A 29 4.995 4.882 -15.488 1.00 0.00 C ATOM 484 CD1 ILE A 29 1.826 5.509 -17.637 1.00 0.00 C ATOM 0 H ILE A 29 3.148 7.693 -14.476 1.00 0.00 H new ATOM 0 HA ILE A 29 1.666 5.077 -14.824 1.00 0.00 H new ATOM 0 HB ILE A 29 3.799 6.534 -16.089 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.676 4.376 -17.669 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.491 3.765 -16.531 1.00 0.00 H new ATOM 0 HG21 ILE A 29 5.591 4.849 -16.400 1.00 0.00 H new ATOM 0 HG22 ILE A 29 5.505 5.494 -14.744 1.00 0.00 H new ATOM 0 HG23 ILE A 29 4.867 3.871 -15.101 1.00 0.00 H new ATOM 0 HD11 ILE A 29 1.370 4.917 -18.430 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.064 5.789 -16.909 1.00 0.00 H new ATOM 0 HD13 ILE A 29 2.268 6.409 -18.064 1.00 0.00 H new ATOM 496 N LEU A 30 2.672 3.811 -13.035 1.00 0.00 N ATOM 497 CA LEU A 30 3.062 3.055 -11.802 1.00 0.00 C ATOM 498 C LEU A 30 3.678 1.719 -12.238 1.00 0.00 C ATOM 499 O LEU A 30 3.358 1.229 -13.305 1.00 0.00 O ATOM 500 CB LEU A 30 1.803 2.807 -10.941 1.00 0.00 C ATOM 501 CG LEU A 30 1.495 4.024 -10.011 1.00 0.00 C ATOM 502 CD1 LEU A 30 0.971 5.229 -10.832 1.00 0.00 C ATOM 503 CD2 LEU A 30 0.413 3.605 -8.993 1.00 0.00 C ATOM 0 H LEU A 30 2.057 3.295 -13.664 1.00 0.00 H new ATOM 0 HA LEU A 30 3.784 3.619 -11.212 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.948 2.619 -11.591 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.946 1.912 -10.335 1.00 0.00 H new ATOM 0 HG LEU A 30 2.413 4.321 -9.504 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.764 6.063 -10.162 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.724 5.528 -11.561 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.056 4.945 -11.351 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.187 4.445 -8.336 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.491 3.307 -9.525 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.778 2.767 -8.399 1.00 0.00 H new ATOM 515 N THR A 31 4.534 1.170 -11.412 1.00 0.00 N ATOM 516 CA THR A 31 5.197 -0.140 -11.740 1.00 0.00 C ATOM 517 C THR A 31 5.198 -1.007 -10.470 1.00 0.00 C ATOM 518 O THR A 31 5.559 -0.533 -9.408 1.00 0.00 O ATOM 519 CB THR A 31 6.652 0.123 -12.203 1.00 0.00 C ATOM 520 OG1 THR A 31 6.554 1.112 -13.221 1.00 0.00 O ATOM 521 CG2 THR A 31 7.280 -1.106 -12.918 1.00 0.00 C ATOM 0 H THR A 31 4.807 1.573 -10.516 1.00 0.00 H new ATOM 0 HA THR A 31 4.661 -0.652 -12.540 1.00 0.00 H new ATOM 0 HB THR A 31 7.252 0.387 -11.332 1.00 0.00 H new ATOM 0 HG1 THR A 31 7.449 1.325 -13.557 1.00 0.00 H new ATOM 0 HG21 THR A 31 8.299 -0.868 -13.222 1.00 0.00 H new ATOM 0 HG22 THR A 31 7.294 -1.956 -12.236 1.00 0.00 H new ATOM 0 HG23 THR A 31 6.688 -1.357 -13.798 1.00 0.00 H new ATOM 529 N VAL A 32 4.796 -2.244 -10.616 1.00 0.00 N ATOM 530 CA VAL A 32 4.766 -3.202 -9.460 1.00 0.00 C ATOM 531 C VAL A 32 5.927 -4.187 -9.622 1.00 0.00 C ATOM 532 O VAL A 32 6.548 -4.236 -10.666 1.00 0.00 O ATOM 533 CB VAL A 32 3.390 -3.930 -9.459 1.00 0.00 C ATOM 534 CG1 VAL A 32 3.304 -4.962 -8.301 1.00 0.00 C ATOM 535 CG2 VAL A 32 2.261 -2.896 -9.267 1.00 0.00 C ATOM 0 H VAL A 32 4.481 -2.641 -11.501 1.00 0.00 H new ATOM 0 HA VAL A 32 4.881 -2.687 -8.507 1.00 0.00 H new ATOM 0 HB VAL A 32 3.284 -4.449 -10.412 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.332 -5.455 -8.325 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.092 -5.706 -8.418 1.00 0.00 H new ATOM 0 HG13 VAL A 32 3.428 -4.449 -7.347 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.297 -3.405 -9.266 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.399 -2.379 -8.317 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.288 -2.172 -10.082 1.00 0.00 H new ATOM 545 N ASN A 33 6.182 -4.943 -8.585 1.00 0.00 N ATOM 546 CA ASN A 33 7.226 -6.008 -8.613 1.00 0.00 C ATOM 547 C ASN A 33 6.983 -7.052 -9.709 1.00 0.00 C ATOM 548 O ASN A 33 5.958 -7.052 -10.357 1.00 0.00 O ATOM 549 CB ASN A 33 7.252 -6.693 -7.211 1.00 0.00 C ATOM 550 CG ASN A 33 7.363 -5.637 -6.098 1.00 0.00 C ATOM 551 OD1 ASN A 33 6.817 -5.800 -5.026 1.00 0.00 O ATOM 552 ND2 ASN A 33 8.054 -4.546 -6.298 1.00 0.00 N ATOM 0 H ASN A 33 5.693 -4.862 -7.693 1.00 0.00 H new ATOM 0 HA ASN A 33 8.186 -5.545 -8.844 1.00 0.00 H new ATOM 0 HB2 ASN A 33 6.347 -7.283 -7.071 1.00 0.00 H new ATOM 0 HB3 ASN A 33 8.094 -7.382 -7.152 1.00 0.00 H new ATOM 0 HD21 ASN A 33 8.128 -3.847 -5.559 1.00 0.00 H new ATOM 0 HD22 ASN A 33 8.519 -4.394 -7.193 1.00 0.00 H new ATOM 737 N GLU A 47 -3.313 -10.755 -12.425 1.00 0.00 N ATOM 738 CA GLU A 47 -2.426 -9.547 -12.299 1.00 0.00 C ATOM 739 C GLU A 47 -2.558 -8.623 -13.527 1.00 0.00 C ATOM 740 O GLU A 47 -1.593 -8.048 -13.998 1.00 0.00 O ATOM 741 CB GLU A 47 -0.942 -10.017 -12.127 1.00 0.00 C ATOM 742 CG GLU A 47 -0.792 -11.187 -11.109 1.00 0.00 C ATOM 743 CD GLU A 47 -1.541 -10.895 -9.792 1.00 0.00 C ATOM 744 OE1 GLU A 47 -1.000 -10.123 -9.017 1.00 0.00 O ATOM 745 OE2 GLU A 47 -2.612 -11.462 -9.636 1.00 0.00 O ATOM 0 HA GLU A 47 -2.735 -8.974 -11.425 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.551 -10.331 -13.095 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.335 -9.174 -11.797 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.177 -12.106 -11.551 1.00 0.00 H new ATOM 0 HG3 GLU A 47 0.264 -11.353 -10.898 1.00 0.00 H new ATOM 752 N ALA A 48 -3.770 -8.513 -14.006 1.00 0.00 N ATOM 753 CA ALA A 48 -4.051 -7.777 -15.280 1.00 0.00 C ATOM 754 C ALA A 48 -5.475 -7.211 -15.270 1.00 0.00 C ATOM 755 O ALA A 48 -5.856 -6.502 -16.179 1.00 0.00 O ATOM 756 CB ALA A 48 -3.878 -8.741 -16.480 1.00 0.00 C ATOM 0 H ALA A 48 -4.596 -8.911 -13.559 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.349 -6.948 -15.372 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -4.082 -8.207 -17.408 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.857 -9.121 -16.497 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -4.573 -9.574 -16.380 1.00 0.00 H new ATOM 762 N LYS A 49 -6.207 -7.549 -14.235 1.00 0.00 N ATOM 763 CA LYS A 49 -7.611 -7.065 -14.063 1.00 0.00 C ATOM 764 C LYS A 49 -7.708 -6.238 -12.749 1.00 0.00 C ATOM 765 O LYS A 49 -8.065 -6.777 -11.718 1.00 0.00 O ATOM 766 CB LYS A 49 -8.546 -8.305 -14.020 1.00 0.00 C ATOM 767 CG LYS A 49 -8.933 -8.793 -15.445 1.00 0.00 C ATOM 768 CD LYS A 49 -7.711 -9.382 -16.208 1.00 0.00 C ATOM 769 CE LYS A 49 -8.105 -10.630 -17.032 1.00 0.00 C ATOM 770 NZ LYS A 49 -9.187 -10.321 -18.013 1.00 0.00 N ATOM 0 H LYS A 49 -5.879 -8.156 -13.484 1.00 0.00 H new ATOM 0 HA LYS A 49 -7.911 -6.421 -14.889 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -8.051 -9.114 -13.482 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -9.450 -8.058 -13.463 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -9.714 -9.550 -15.370 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -9.349 -7.961 -16.013 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -7.295 -8.624 -16.871 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -6.929 -9.647 -15.496 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -7.230 -11.008 -17.561 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -8.438 -11.421 -16.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -9.344 -11.145 -18.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -10.065 -10.098 -17.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -8.907 -9.505 -18.593 1.00 0.00 H new ATOM 784 N PRO A 50 -7.390 -4.961 -12.808 1.00 0.00 N ATOM 785 CA PRO A 50 -7.648 -4.002 -11.691 1.00 0.00 C ATOM 786 C PRO A 50 -9.144 -3.779 -11.400 1.00 0.00 C ATOM 787 O PRO A 50 -9.493 -3.049 -10.488 1.00 0.00 O ATOM 788 CB PRO A 50 -6.955 -2.696 -12.088 1.00 0.00 C ATOM 789 CG PRO A 50 -6.404 -2.887 -13.526 1.00 0.00 C ATOM 790 CD PRO A 50 -6.739 -4.319 -13.980 1.00 0.00 C ATOM 0 HA PRO A 50 -7.254 -4.408 -10.759 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -7.656 -1.862 -12.052 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -6.147 -2.463 -11.394 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -6.849 -2.159 -14.204 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -5.326 -2.724 -13.546 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -7.404 -4.312 -14.844 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -5.839 -4.859 -14.274 1.00 0.00 H new ATOM 798 N GLU A 51 -9.979 -4.410 -12.184 1.00 0.00 N ATOM 799 CA GLU A 51 -11.458 -4.298 -11.995 1.00 0.00 C ATOM 800 C GLU A 51 -11.941 -5.084 -10.764 1.00 0.00 C ATOM 801 O GLU A 51 -13.046 -4.870 -10.300 1.00 0.00 O ATOM 802 CB GLU A 51 -12.157 -4.831 -13.267 1.00 0.00 C ATOM 803 CG GLU A 51 -11.585 -4.158 -14.543 1.00 0.00 C ATOM 804 CD GLU A 51 -11.748 -2.627 -14.470 1.00 0.00 C ATOM 805 OE1 GLU A 51 -12.827 -2.179 -14.821 1.00 0.00 O ATOM 806 OE2 GLU A 51 -10.786 -1.991 -14.066 1.00 0.00 O ATOM 0 H GLU A 51 -9.695 -5.008 -12.960 1.00 0.00 H new ATOM 0 HA GLU A 51 -11.709 -3.251 -11.827 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -12.026 -5.911 -13.332 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -13.229 -4.643 -13.202 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -10.531 -4.412 -14.653 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -12.099 -4.542 -15.424 1.00 0.00 H new ATOM 813 N GLU A 52 -11.106 -5.964 -10.271 1.00 0.00 N ATOM 814 CA GLU A 52 -11.488 -6.863 -9.133 1.00 0.00 C ATOM 815 C GLU A 52 -10.493 -6.742 -7.973 1.00 0.00 C ATOM 816 O GLU A 52 -10.874 -6.848 -6.824 1.00 0.00 O ATOM 817 CB GLU A 52 -11.530 -8.322 -9.643 1.00 0.00 C ATOM 818 CG GLU A 52 -10.397 -8.571 -10.661 1.00 0.00 C ATOM 819 CD GLU A 52 -10.200 -10.077 -10.883 1.00 0.00 C ATOM 820 OE1 GLU A 52 -10.872 -10.589 -11.763 1.00 0.00 O ATOM 821 OE2 GLU A 52 -9.389 -10.630 -10.158 1.00 0.00 O ATOM 0 H GLU A 52 -10.156 -6.101 -10.615 1.00 0.00 H new ATOM 0 HA GLU A 52 -12.469 -6.566 -8.762 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -11.430 -9.010 -8.803 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -12.495 -8.524 -10.108 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -10.636 -8.086 -11.607 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -9.470 -8.126 -10.300 1.00 0.00 H new ATOM 828 N ILE A 53 -9.246 -6.520 -8.313 1.00 0.00 N ATOM 829 CA ILE A 53 -8.192 -6.277 -7.275 1.00 0.00 C ATOM 830 C ILE A 53 -8.563 -5.058 -6.406 1.00 0.00 C ATOM 831 O ILE A 53 -9.160 -4.114 -6.890 1.00 0.00 O ATOM 832 CB ILE A 53 -6.842 -6.025 -7.990 1.00 0.00 C ATOM 833 CG1 ILE A 53 -6.480 -7.256 -8.874 1.00 0.00 C ATOM 834 CG2 ILE A 53 -5.721 -5.797 -6.935 1.00 0.00 C ATOM 835 CD1 ILE A 53 -5.296 -6.917 -9.808 1.00 0.00 C ATOM 0 H ILE A 53 -8.909 -6.496 -9.275 1.00 0.00 H new ATOM 0 HA ILE A 53 -8.113 -7.148 -6.624 1.00 0.00 H new ATOM 0 HB ILE A 53 -6.931 -5.139 -8.619 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -6.220 -8.104 -8.240 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -7.345 -7.554 -9.466 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -4.773 -5.620 -7.444 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -5.970 -4.932 -6.321 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -5.633 -6.679 -6.301 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -5.054 -7.786 -10.419 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -5.570 -6.083 -10.455 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.428 -6.642 -9.209 1.00 0.00 H new ATOM 847 N GLY A 54 -8.193 -5.124 -5.150 1.00 0.00 N ATOM 848 CA GLY A 54 -8.514 -4.023 -4.196 1.00 0.00 C ATOM 849 C GLY A 54 -7.396 -2.985 -4.209 1.00 0.00 C ATOM 850 O GLY A 54 -7.384 -2.089 -5.031 1.00 0.00 O ATOM 0 H GLY A 54 -7.676 -5.904 -4.743 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -9.460 -3.556 -4.471 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -8.637 -4.425 -3.190 1.00 0.00 H new ATOM 854 N TRP A 55 -6.495 -3.156 -3.283 1.00 0.00 N ATOM 855 CA TRP A 55 -5.316 -2.247 -3.163 1.00 0.00 C ATOM 856 C TRP A 55 -4.107 -2.836 -3.890 1.00 0.00 C ATOM 857 O TRP A 55 -3.830 -4.016 -3.786 1.00 0.00 O ATOM 858 CB TRP A 55 -5.030 -2.054 -1.671 1.00 0.00 C ATOM 859 CG TRP A 55 -6.003 -0.985 -1.162 1.00 0.00 C ATOM 860 CD1 TRP A 55 -7.138 -1.232 -0.455 1.00 0.00 C ATOM 861 CD2 TRP A 55 -5.879 0.349 -1.350 1.00 0.00 C ATOM 862 NE1 TRP A 55 -7.631 -0.023 -0.266 1.00 0.00 N ATOM 863 CE2 TRP A 55 -6.945 0.993 -0.761 1.00 0.00 C ATOM 864 CE3 TRP A 55 -4.903 1.085 -1.995 1.00 0.00 C ATOM 865 CZ2 TRP A 55 -7.045 2.367 -0.819 1.00 0.00 C ATOM 866 CZ3 TRP A 55 -5.008 2.456 -2.050 1.00 0.00 C ATOM 867 CH2 TRP A 55 -6.074 3.099 -1.464 1.00 0.00 C ATOM 0 H TRP A 55 -6.525 -3.903 -2.589 1.00 0.00 H new ATOM 0 HA TRP A 55 -5.525 -1.283 -3.628 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -5.167 -2.989 -1.128 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -3.998 -1.742 -1.514 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -7.537 -2.181 -0.129 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -8.504 0.122 0.241 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -4.062 0.586 -2.454 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -7.884 2.868 -0.359 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -4.248 3.032 -2.557 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -6.149 4.175 -1.510 1.00 0.00 H new ATOM 878 N LEU A 56 -3.432 -1.979 -4.612 1.00 0.00 N ATOM 879 CA LEU A 56 -2.147 -2.349 -5.284 1.00 0.00 C ATOM 880 C LEU A 56 -1.031 -1.508 -4.674 1.00 0.00 C ATOM 881 O LEU A 56 -1.218 -0.331 -4.441 1.00 0.00 O ATOM 882 CB LEU A 56 -2.235 -2.048 -6.779 1.00 0.00 C ATOM 883 CG LEU A 56 -3.423 -2.814 -7.438 1.00 0.00 C ATOM 884 CD1 LEU A 56 -4.631 -1.859 -7.652 1.00 0.00 C ATOM 885 CD2 LEU A 56 -2.997 -3.460 -8.785 1.00 0.00 C ATOM 0 H LEU A 56 -3.724 -1.014 -4.768 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.950 -3.412 -5.146 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -2.361 -0.976 -6.930 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.302 -2.331 -7.265 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.724 -3.615 -6.762 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.452 -2.408 -8.113 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -4.955 -1.461 -6.690 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.334 -1.037 -8.303 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -3.846 -3.987 -9.220 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.662 -2.683 -9.471 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.184 -4.165 -8.610 1.00 0.00 H new ATOM 897 N ASN A 57 0.092 -2.133 -4.435 1.00 0.00 N ATOM 898 CA ASN A 57 1.282 -1.391 -3.919 1.00 0.00 C ATOM 899 C ASN A 57 2.320 -1.287 -5.048 1.00 0.00 C ATOM 900 O ASN A 57 2.794 -2.298 -5.531 1.00 0.00 O ATOM 901 CB ASN A 57 1.853 -2.164 -2.725 1.00 0.00 C ATOM 902 CG ASN A 57 0.955 -2.004 -1.489 1.00 0.00 C ATOM 903 OD1 ASN A 57 -0.219 -1.449 -1.612 1.00 0.00 O flip ATOM 904 ND2 ASN A 57 1.319 -2.385 -0.395 1.00 0.00 N flip ATOM 0 H ASN A 57 0.237 -3.133 -4.576 1.00 0.00 H new ATOM 0 HA ASN A 57 1.011 -0.386 -3.595 1.00 0.00 H new ATOM 0 HB2 ASN A 57 1.943 -3.220 -2.980 1.00 0.00 H new ATOM 0 HB3 ASN A 57 2.857 -1.804 -2.500 1.00 0.00 H new ATOM 0 HD21 ASN A 57 2.235 -2.821 -0.285 1.00 0.00 H new ATOM 0 HD22 ASN A 57 0.709 -2.269 0.414 1.00 0.00 H new ATOM 911 N GLY A 58 2.642 -0.077 -5.438 1.00 0.00 N ATOM 912 CA GLY A 58 3.591 0.126 -6.578 1.00 0.00 C ATOM 913 C GLY A 58 4.371 1.440 -6.432 1.00 0.00 C ATOM 914 O GLY A 58 4.012 2.290 -5.637 1.00 0.00 O ATOM 0 H GLY A 58 2.288 0.781 -5.015 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.289 -0.710 -6.625 1.00 0.00 H new ATOM 0 HA3 GLY A 58 3.038 0.132 -7.517 1.00 0.00 H new ATOM 918 N TYR A 59 5.415 1.562 -7.215 1.00 0.00 N ATOM 919 CA TYR A 59 6.225 2.822 -7.243 1.00 0.00 C ATOM 920 C TYR A 59 5.653 3.798 -8.287 1.00 0.00 C ATOM 921 O TYR A 59 5.197 3.389 -9.337 1.00 0.00 O ATOM 922 CB TYR A 59 7.682 2.459 -7.604 1.00 0.00 C ATOM 923 CG TYR A 59 8.647 3.091 -6.601 1.00 0.00 C ATOM 924 CD1 TYR A 59 8.965 4.432 -6.692 1.00 0.00 C ATOM 925 CD2 TYR A 59 9.208 2.330 -5.596 1.00 0.00 C ATOM 926 CE1 TYR A 59 9.835 5.003 -5.790 1.00 0.00 C ATOM 927 CE2 TYR A 59 10.078 2.900 -4.696 1.00 0.00 C ATOM 928 CZ TYR A 59 10.397 4.241 -4.785 1.00 0.00 C ATOM 929 OH TYR A 59 11.268 4.812 -3.880 1.00 0.00 O ATOM 0 H TYR A 59 5.746 0.831 -7.845 1.00 0.00 H new ATOM 0 HA TYR A 59 6.191 3.305 -6.267 1.00 0.00 H new ATOM 0 HB2 TYR A 59 7.805 1.376 -7.605 1.00 0.00 H new ATOM 0 HB3 TYR A 59 7.913 2.807 -8.611 1.00 0.00 H new ATOM 0 HD1 TYR A 59 8.529 5.036 -7.474 1.00 0.00 H new ATOM 0 HD2 TYR A 59 8.963 1.281 -5.516 1.00 0.00 H new ATOM 0 HE1 TYR A 59 10.079 6.052 -5.869 1.00 0.00 H new ATOM 0 HE2 TYR A 59 10.514 2.295 -3.915 1.00 0.00 H new ATOM 0 HH TYR A 59 11.568 4.132 -3.241 1.00 0.00 H new ATOM 939 N ASN A 60 5.703 5.064 -7.947 1.00 0.00 N ATOM 940 CA ASN A 60 5.330 6.158 -8.897 1.00 0.00 C ATOM 941 C ASN A 60 6.571 7.025 -9.181 1.00 0.00 C ATOM 942 O ASN A 60 6.653 8.174 -8.785 1.00 0.00 O ATOM 943 CB ASN A 60 4.192 6.953 -8.225 1.00 0.00 C ATOM 944 CG ASN A 60 3.463 7.896 -9.196 1.00 0.00 C ATOM 945 OD1 ASN A 60 3.630 7.870 -10.400 1.00 0.00 O ATOM 946 ND2 ASN A 60 2.629 8.757 -8.680 1.00 0.00 N ATOM 0 H ASN A 60 5.995 5.392 -7.026 1.00 0.00 H new ATOM 0 HA ASN A 60 4.985 5.781 -9.860 1.00 0.00 H new ATOM 0 HB2 ASN A 60 3.473 6.255 -7.796 1.00 0.00 H new ATOM 0 HB3 ASN A 60 4.601 7.536 -7.400 1.00 0.00 H new ATOM 0 HD21 ASN A 60 2.122 9.402 -9.286 1.00 0.00 H new ATOM 0 HD22 ASN A 60 2.484 8.785 -7.671 1.00 0.00 H new ATOM 953 N GLU A 61 7.503 6.416 -9.872 1.00 0.00 N ATOM 954 CA GLU A 61 8.716 7.127 -10.399 1.00 0.00 C ATOM 955 C GLU A 61 8.407 8.455 -11.103 1.00 0.00 C ATOM 956 O GLU A 61 9.207 9.371 -11.068 1.00 0.00 O ATOM 957 CB GLU A 61 9.420 6.196 -11.369 1.00 0.00 C ATOM 958 CG GLU A 61 10.365 5.306 -10.562 1.00 0.00 C ATOM 959 CD GLU A 61 11.785 5.901 -10.533 1.00 0.00 C ATOM 960 OE1 GLU A 61 12.502 5.645 -11.488 1.00 0.00 O ATOM 961 OE2 GLU A 61 12.069 6.576 -9.556 1.00 0.00 O ATOM 0 H GLU A 61 7.474 5.422 -10.101 1.00 0.00 H new ATOM 0 HA GLU A 61 9.341 7.381 -9.543 1.00 0.00 H new ATOM 0 HB2 GLU A 61 8.694 5.590 -11.911 1.00 0.00 H new ATOM 0 HB3 GLU A 61 9.976 6.768 -12.112 1.00 0.00 H new ATOM 0 HG2 GLU A 61 9.990 5.198 -9.544 1.00 0.00 H new ATOM 0 HG3 GLU A 61 10.393 4.308 -10.999 1.00 0.00 H new ATOM 968 N THR A 62 7.251 8.501 -11.720 1.00 0.00 N ATOM 969 CA THR A 62 6.750 9.754 -12.370 1.00 0.00 C ATOM 970 C THR A 62 6.831 10.948 -11.409 1.00 0.00 C ATOM 971 O THR A 62 7.339 11.992 -11.772 1.00 0.00 O ATOM 972 CB THR A 62 5.277 9.538 -12.817 1.00 0.00 C ATOM 973 OG1 THR A 62 5.300 8.338 -13.583 1.00 0.00 O ATOM 974 CG2 THR A 62 4.803 10.636 -13.804 1.00 0.00 C ATOM 0 H THR A 62 6.619 7.704 -11.802 1.00 0.00 H new ATOM 0 HA THR A 62 7.377 9.975 -13.234 1.00 0.00 H new ATOM 0 HB THR A 62 4.628 9.534 -11.942 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.821 7.632 -13.100 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.769 10.446 -14.090 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.873 11.612 -13.324 1.00 0.00 H new ATOM 0 HG23 THR A 62 5.434 10.623 -14.693 1.00 0.00 H new ATOM 982 N THR A 63 6.331 10.748 -10.217 1.00 0.00 N ATOM 983 CA THR A 63 6.346 11.836 -9.187 1.00 0.00 C ATOM 984 C THR A 63 7.533 11.654 -8.227 1.00 0.00 C ATOM 985 O THR A 63 7.747 12.466 -7.347 1.00 0.00 O ATOM 986 CB THR A 63 5.025 11.804 -8.397 1.00 0.00 C ATOM 987 OG1 THR A 63 4.917 10.486 -7.872 1.00 0.00 O ATOM 988 CG2 THR A 63 3.790 11.998 -9.311 1.00 0.00 C ATOM 0 H THR A 63 5.909 9.872 -9.909 1.00 0.00 H new ATOM 0 HA THR A 63 6.453 12.798 -9.688 1.00 0.00 H new ATOM 0 HB THR A 63 5.041 12.598 -7.650 1.00 0.00 H new ATOM 0 HG1 THR A 63 4.089 10.407 -7.354 1.00 0.00 H new ATOM 0 HG21 THR A 63 2.883 11.968 -8.708 1.00 0.00 H new ATOM 0 HG22 THR A 63 3.858 12.962 -9.815 1.00 0.00 H new ATOM 0 HG23 THR A 63 3.758 11.201 -10.054 1.00 0.00 H new ATOM 996 N GLY A 64 8.266 10.587 -8.431 1.00 0.00 N ATOM 997 CA GLY A 64 9.412 10.252 -7.531 1.00 0.00 C ATOM 998 C GLY A 64 8.902 9.896 -6.133 1.00 0.00 C ATOM 999 O GLY A 64 9.565 10.154 -5.147 1.00 0.00 O ATOM 0 H GLY A 64 8.116 9.926 -9.193 1.00 0.00 H new ATOM 0 HA2 GLY A 64 9.975 9.415 -7.944 1.00 0.00 H new ATOM 0 HA3 GLY A 64 10.096 11.098 -7.471 1.00 0.00 H new ATOM 1003 N GLU A 65 7.730 9.312 -6.106 1.00 0.00 N ATOM 1004 CA GLU A 65 7.112 8.848 -4.825 1.00 0.00 C ATOM 1005 C GLU A 65 6.812 7.347 -4.923 1.00 0.00 C ATOM 1006 O GLU A 65 7.018 6.744 -5.959 1.00 0.00 O ATOM 1007 CB GLU A 65 5.817 9.642 -4.592 1.00 0.00 C ATOM 1008 CG GLU A 65 6.155 11.116 -4.294 1.00 0.00 C ATOM 1009 CD GLU A 65 4.840 11.907 -4.167 1.00 0.00 C ATOM 1010 OE1 GLU A 65 4.257 12.161 -5.209 1.00 0.00 O ATOM 1011 OE2 GLU A 65 4.487 12.214 -3.040 1.00 0.00 O ATOM 0 H GLU A 65 7.164 9.134 -6.935 1.00 0.00 H new ATOM 0 HA GLU A 65 7.792 9.013 -3.989 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.176 9.577 -5.471 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.260 9.211 -3.760 1.00 0.00 H new ATOM 0 HG2 GLU A 65 6.733 11.193 -3.373 1.00 0.00 H new ATOM 0 HG3 GLU A 65 6.771 11.531 -5.092 1.00 0.00 H new ATOM 1018 N ARG A 66 6.334 6.794 -3.835 1.00 0.00 N ATOM 1019 CA ARG A 66 5.881 5.367 -3.818 1.00 0.00 C ATOM 1020 C ARG A 66 4.688 5.231 -2.868 1.00 0.00 C ATOM 1021 O ARG A 66 4.631 5.908 -1.859 1.00 0.00 O ATOM 1022 CB ARG A 66 7.060 4.473 -3.345 1.00 0.00 C ATOM 1023 CG ARG A 66 7.398 4.686 -1.836 1.00 0.00 C ATOM 1024 CD ARG A 66 8.863 4.264 -1.565 1.00 0.00 C ATOM 1025 NE ARG A 66 8.958 3.629 -0.213 1.00 0.00 N ATOM 1026 CZ ARG A 66 9.784 2.637 0.003 1.00 0.00 C ATOM 1027 NH1 ARG A 66 11.005 2.690 -0.456 1.00 0.00 N ATOM 1028 NH2 ARG A 66 9.359 1.604 0.676 1.00 0.00 N ATOM 0 H ARG A 66 6.237 7.279 -2.943 1.00 0.00 H new ATOM 0 HA ARG A 66 5.573 5.052 -4.815 1.00 0.00 H new ATOM 0 HB2 ARG A 66 6.809 3.426 -3.514 1.00 0.00 H new ATOM 0 HB3 ARG A 66 7.942 4.691 -3.947 1.00 0.00 H new ATOM 0 HG2 ARG A 66 7.255 5.732 -1.565 1.00 0.00 H new ATOM 0 HG3 ARG A 66 6.720 4.100 -1.215 1.00 0.00 H new ATOM 0 HD2 ARG A 66 9.199 3.565 -2.331 1.00 0.00 H new ATOM 0 HD3 ARG A 66 9.519 5.133 -1.617 1.00 0.00 H new ATOM 0 HE ARG A 66 8.373 3.973 0.548 1.00 0.00 H new ATOM 0 HH11 ARG A 66 11.316 3.505 -0.984 1.00 0.00 H new ATOM 0 HH12 ARG A 66 11.647 1.916 -0.287 1.00 0.00 H new ATOM 0 HH21 ARG A 66 8.400 1.580 1.022 1.00 0.00 H new ATOM 0 HH22 ARG A 66 9.986 0.820 0.856 1.00 0.00 H new ATOM 1042 N GLY A 67 3.769 4.364 -3.206 1.00 0.00 N ATOM 1043 CA GLY A 67 2.732 3.980 -2.204 1.00 0.00 C ATOM 1044 C GLY A 67 1.649 3.071 -2.776 1.00 0.00 C ATOM 1045 O GLY A 67 1.854 2.378 -3.757 1.00 0.00 O ATOM 0 H GLY A 67 3.692 3.912 -4.117 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.215 3.476 -1.367 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.267 4.883 -1.808 1.00 0.00 H new ATOM 1049 N ASP A 68 0.522 3.120 -2.118 1.00 0.00 N ATOM 1050 CA ASP A 68 -0.614 2.204 -2.440 1.00 0.00 C ATOM 1051 C ASP A 68 -1.629 3.009 -3.261 1.00 0.00 C ATOM 1052 O ASP A 68 -1.694 4.220 -3.141 1.00 0.00 O ATOM 1053 CB ASP A 68 -1.271 1.701 -1.130 1.00 0.00 C ATOM 1054 CG ASP A 68 -0.267 1.046 -0.140 1.00 0.00 C ATOM 1055 OD1 ASP A 68 0.927 1.007 -0.401 1.00 0.00 O ATOM 1056 OD2 ASP A 68 -0.783 0.595 0.869 1.00 0.00 O ATOM 0 H ASP A 68 0.336 3.770 -1.354 1.00 0.00 H new ATOM 0 HA ASP A 68 -0.267 1.336 -3.001 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -1.762 2.539 -0.635 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.048 0.978 -1.378 1.00 0.00 H new ATOM 1061 N PHE A 69 -2.394 2.319 -4.067 1.00 0.00 N ATOM 1062 CA PHE A 69 -3.400 3.003 -4.938 1.00 0.00 C ATOM 1063 C PHE A 69 -4.537 2.021 -5.288 1.00 0.00 C ATOM 1064 O PHE A 69 -4.262 0.856 -5.507 1.00 0.00 O ATOM 1065 CB PHE A 69 -2.690 3.499 -6.214 1.00 0.00 C ATOM 1066 CG PHE A 69 -2.049 2.343 -7.000 1.00 0.00 C ATOM 1067 CD1 PHE A 69 -0.824 1.822 -6.619 1.00 0.00 C ATOM 1068 CD2 PHE A 69 -2.694 1.816 -8.103 1.00 0.00 C ATOM 1069 CE1 PHE A 69 -0.251 0.795 -7.338 1.00 0.00 C ATOM 1070 CE2 PHE A 69 -2.122 0.789 -8.823 1.00 0.00 C ATOM 1071 CZ PHE A 69 -0.899 0.276 -8.440 1.00 0.00 C ATOM 0 H PHE A 69 -2.366 1.304 -4.161 1.00 0.00 H new ATOM 0 HA PHE A 69 -3.837 3.855 -4.417 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -3.407 4.017 -6.851 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -1.922 4.224 -5.944 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -0.315 2.222 -5.755 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -3.653 2.212 -8.403 1.00 0.00 H new ATOM 0 HE1 PHE A 69 0.707 0.396 -7.038 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -2.630 0.386 -9.686 1.00 0.00 H new ATOM 0 HZ PHE A 69 -0.450 -0.530 -9.002 1.00 0.00 H new ATOM 1081 N PRO A 70 -5.770 2.486 -5.331 1.00 0.00 N ATOM 1082 CA PRO A 70 -6.916 1.630 -5.727 1.00 0.00 C ATOM 1083 C PRO A 70 -6.804 1.202 -7.200 1.00 0.00 C ATOM 1084 O PRO A 70 -6.385 1.977 -8.040 1.00 0.00 O ATOM 1085 CB PRO A 70 -8.178 2.456 -5.466 1.00 0.00 C ATOM 1086 CG PRO A 70 -7.713 3.868 -5.006 1.00 0.00 C ATOM 1087 CD PRO A 70 -6.169 3.881 -4.996 1.00 0.00 C ATOM 0 HA PRO A 70 -6.939 0.704 -5.152 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -8.786 2.526 -6.368 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -8.795 1.985 -4.701 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -8.096 4.634 -5.680 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -8.103 4.093 -4.013 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -5.776 4.590 -5.725 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -5.783 4.179 -4.021 1.00 0.00 H new ATOM 1095 N GLY A 71 -7.188 -0.023 -7.460 1.00 0.00 N ATOM 1096 CA GLY A 71 -7.202 -0.540 -8.866 1.00 0.00 C ATOM 1097 C GLY A 71 -8.344 0.069 -9.687 1.00 0.00 C ATOM 1098 O GLY A 71 -8.281 0.111 -10.901 1.00 0.00 O ATOM 0 H GLY A 71 -7.495 -0.693 -6.754 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -6.250 -0.314 -9.345 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.303 -1.625 -8.853 1.00 0.00 H new ATOM 1102 N THR A 72 -9.359 0.531 -9.004 1.00 0.00 N ATOM 1103 CA THR A 72 -10.549 1.110 -9.670 1.00 0.00 C ATOM 1104 C THR A 72 -10.227 2.492 -10.275 1.00 0.00 C ATOM 1105 O THR A 72 -11.051 3.066 -10.961 1.00 0.00 O ATOM 1106 CB THR A 72 -11.650 1.194 -8.596 1.00 0.00 C ATOM 1107 OG1 THR A 72 -11.305 2.273 -7.736 1.00 0.00 O ATOM 1108 CG2 THR A 72 -11.703 -0.055 -7.661 1.00 0.00 C ATOM 0 H THR A 72 -9.407 0.528 -7.985 1.00 0.00 H new ATOM 0 HA THR A 72 -10.878 0.491 -10.505 1.00 0.00 H new ATOM 0 HB THR A 72 -12.602 1.293 -9.118 1.00 0.00 H new ATOM 0 HG1 THR A 72 -11.984 2.363 -7.035 1.00 0.00 H new ATOM 0 HG21 THR A 72 -12.501 0.072 -6.929 1.00 0.00 H new ATOM 0 HG22 THR A 72 -11.895 -0.947 -8.257 1.00 0.00 H new ATOM 0 HG23 THR A 72 -10.750 -0.163 -7.143 1.00 0.00 H new ATOM 1116 N TYR A 73 -9.040 2.974 -9.999 1.00 0.00 N ATOM 1117 CA TYR A 73 -8.627 4.332 -10.472 1.00 0.00 C ATOM 1118 C TYR A 73 -7.561 4.252 -11.569 1.00 0.00 C ATOM 1119 O TYR A 73 -7.208 5.263 -12.146 1.00 0.00 O ATOM 1120 CB TYR A 73 -8.089 5.122 -9.261 1.00 0.00 C ATOM 1121 CG TYR A 73 -9.248 5.941 -8.686 1.00 0.00 C ATOM 1122 CD1 TYR A 73 -10.089 5.385 -7.745 1.00 0.00 C ATOM 1123 CD2 TYR A 73 -9.466 7.239 -9.103 1.00 0.00 C ATOM 1124 CE1 TYR A 73 -11.138 6.112 -7.230 1.00 0.00 C ATOM 1125 CE2 TYR A 73 -10.515 7.969 -8.587 1.00 0.00 C ATOM 1126 CZ TYR A 73 -11.357 7.410 -7.646 1.00 0.00 C ATOM 1127 OH TYR A 73 -12.408 8.137 -7.126 1.00 0.00 O ATOM 0 H TYR A 73 -8.331 2.478 -9.459 1.00 0.00 H new ATOM 0 HA TYR A 73 -9.491 4.836 -10.905 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -7.691 4.442 -8.508 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -7.272 5.777 -9.564 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -9.923 4.372 -7.410 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -8.811 7.685 -9.837 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -11.793 5.665 -6.497 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -10.679 8.983 -8.920 1.00 0.00 H new ATOM 0 HH TYR A 73 -12.417 9.031 -7.526 1.00 0.00 H new ATOM 1137 N VAL A 74 -7.088 3.059 -11.829 1.00 0.00 N ATOM 1138 CA VAL A 74 -5.989 2.869 -12.827 1.00 0.00 C ATOM 1139 C VAL A 74 -6.428 1.833 -13.860 1.00 0.00 C ATOM 1140 O VAL A 74 -7.542 1.346 -13.815 1.00 0.00 O ATOM 1141 CB VAL A 74 -4.705 2.402 -12.085 1.00 0.00 C ATOM 1142 CG1 VAL A 74 -4.284 3.474 -11.042 1.00 0.00 C ATOM 1143 CG2 VAL A 74 -4.926 1.031 -11.388 1.00 0.00 C ATOM 0 H VAL A 74 -7.419 2.200 -11.389 1.00 0.00 H new ATOM 0 HA VAL A 74 -5.774 3.806 -13.341 1.00 0.00 H new ATOM 0 HB VAL A 74 -3.909 2.279 -12.819 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.384 3.144 -10.524 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -4.085 4.417 -11.550 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.088 3.614 -10.319 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.011 0.731 -10.878 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.735 1.118 -10.662 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -5.188 0.281 -12.135 1.00 0.00 H new ATOM 1153 N GLU A 75 -5.528 1.534 -14.760 1.00 0.00 N ATOM 1154 CA GLU A 75 -5.799 0.465 -15.761 1.00 0.00 C ATOM 1155 C GLU A 75 -4.492 -0.247 -16.091 1.00 0.00 C ATOM 1156 O GLU A 75 -3.538 0.378 -16.510 1.00 0.00 O ATOM 1157 CB GLU A 75 -6.394 1.107 -17.032 1.00 0.00 C ATOM 1158 CG GLU A 75 -7.498 0.204 -17.620 1.00 0.00 C ATOM 1159 CD GLU A 75 -6.902 -1.138 -18.084 1.00 0.00 C ATOM 1160 OE1 GLU A 75 -6.479 -1.175 -19.229 1.00 0.00 O ATOM 1161 OE2 GLU A 75 -6.900 -2.051 -17.272 1.00 0.00 O ATOM 0 H GLU A 75 -4.617 1.985 -14.844 1.00 0.00 H new ATOM 0 HA GLU A 75 -6.509 -0.259 -15.361 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -6.805 2.088 -16.794 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.608 1.262 -17.772 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -8.270 0.027 -16.871 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -7.978 0.706 -18.460 1.00 0.00 H new ATOM 1168 N TYR A 76 -4.497 -1.538 -15.890 1.00 0.00 N ATOM 1169 CA TYR A 76 -3.340 -2.379 -16.307 1.00 0.00 C ATOM 1170 C TYR A 76 -3.074 -2.181 -17.807 1.00 0.00 C ATOM 1171 O TYR A 76 -3.975 -2.325 -18.608 1.00 0.00 O ATOM 1172 CB TYR A 76 -3.690 -3.840 -15.990 1.00 0.00 C ATOM 1173 CG TYR A 76 -2.674 -4.775 -16.651 1.00 0.00 C ATOM 1174 CD1 TYR A 76 -2.892 -5.215 -17.941 1.00 0.00 C ATOM 1175 CD2 TYR A 76 -1.547 -5.188 -15.977 1.00 0.00 C ATOM 1176 CE1 TYR A 76 -1.991 -6.052 -18.553 1.00 0.00 C ATOM 1177 CE2 TYR A 76 -0.644 -6.026 -16.588 1.00 0.00 C ATOM 1178 CZ TYR A 76 -0.864 -6.464 -17.879 1.00 0.00 C ATOM 1179 OH TYR A 76 0.029 -7.305 -18.504 1.00 0.00 O ATOM 0 H TYR A 76 -5.262 -2.050 -15.450 1.00 0.00 H new ATOM 0 HA TYR A 76 -2.433 -2.097 -15.772 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -3.693 -3.996 -14.911 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -4.694 -4.068 -16.348 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -3.777 -4.899 -18.473 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -1.372 -4.853 -14.965 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -2.167 -6.387 -19.564 1.00 0.00 H new ATOM 0 HE2 TYR A 76 0.241 -6.343 -16.056 1.00 0.00 H new ATOM 0 HH TYR A 76 0.253 -6.946 -19.388 1.00 0.00 H new ATOM 1189 N ILE A 77 -1.849 -1.859 -18.137 1.00 0.00 N ATOM 1190 CA ILE A 77 -1.491 -1.598 -19.568 1.00 0.00 C ATOM 1191 C ILE A 77 -0.575 -2.690 -20.107 1.00 0.00 C ATOM 1192 O ILE A 77 -0.884 -3.300 -21.113 1.00 0.00 O ATOM 1193 CB ILE A 77 -0.783 -0.203 -19.702 1.00 0.00 C ATOM 1194 CG1 ILE A 77 0.088 0.163 -18.463 1.00 0.00 C ATOM 1195 CG2 ILE A 77 -1.864 0.883 -19.886 1.00 0.00 C ATOM 1196 CD1 ILE A 77 1.088 1.282 -18.822 1.00 0.00 C ATOM 0 H ILE A 77 -1.078 -1.765 -17.476 1.00 0.00 H new ATOM 0 HA ILE A 77 -2.411 -1.595 -20.152 1.00 0.00 H new ATOM 0 HB ILE A 77 -0.115 -0.260 -20.561 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -0.553 0.488 -17.643 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.627 -0.718 -18.116 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.387 1.859 -19.981 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -2.442 0.673 -20.786 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -2.528 0.886 -19.021 1.00 0.00 H new ATOM 0 HD11 ILE A 77 1.689 1.527 -17.947 1.00 0.00 H new ATOM 0 HD12 ILE A 77 1.740 0.943 -19.627 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.542 2.168 -19.146 1.00 0.00 H new ATOM 1208 N GLY A 78 0.521 -2.904 -19.427 1.00 0.00 N ATOM 1209 CA GLY A 78 1.638 -3.689 -20.026 1.00 0.00 C ATOM 1210 C GLY A 78 2.309 -4.445 -18.896 1.00 0.00 C ATOM 1211 O GLY A 78 2.145 -4.099 -17.743 1.00 0.00 O ATOM 0 H GLY A 78 0.690 -2.567 -18.479 1.00 0.00 H new ATOM 0 HA2 GLY A 78 1.262 -4.379 -20.781 1.00 0.00 H new ATOM 0 HA3 GLY A 78 2.349 -3.029 -20.523 1.00 0.00 H new ATOM 1215 N ARG A 79 3.046 -5.461 -19.250 1.00 0.00 N ATOM 1216 CA ARG A 79 3.924 -6.115 -18.233 1.00 0.00 C ATOM 1217 C ARG A 79 5.067 -6.894 -18.872 1.00 0.00 C ATOM 1218 O ARG A 79 5.248 -6.881 -20.072 1.00 0.00 O ATOM 1219 CB ARG A 79 3.030 -7.053 -17.340 1.00 0.00 C ATOM 1220 CG ARG A 79 2.844 -8.518 -17.855 1.00 0.00 C ATOM 1221 CD ARG A 79 2.510 -8.619 -19.366 1.00 0.00 C ATOM 1222 NE ARG A 79 1.334 -9.528 -19.522 1.00 0.00 N ATOM 1223 CZ ARG A 79 0.895 -9.845 -20.711 1.00 0.00 C ATOM 1224 NH1 ARG A 79 1.678 -10.480 -21.540 1.00 0.00 N ATOM 1225 NH2 ARG A 79 -0.324 -9.512 -21.031 1.00 0.00 N ATOM 0 H ARG A 79 3.081 -5.864 -20.186 1.00 0.00 H new ATOM 0 HA ARG A 79 4.391 -5.344 -17.620 1.00 0.00 H new ATOM 0 HB2 ARG A 79 3.465 -7.093 -16.341 1.00 0.00 H new ATOM 0 HB3 ARG A 79 2.045 -6.596 -17.241 1.00 0.00 H new ATOM 0 HG2 ARG A 79 3.757 -9.080 -17.657 1.00 0.00 H new ATOM 0 HG3 ARG A 79 2.046 -8.994 -17.285 1.00 0.00 H new ATOM 0 HD2 ARG A 79 2.286 -7.633 -19.773 1.00 0.00 H new ATOM 0 HD3 ARG A 79 3.366 -9.005 -19.920 1.00 0.00 H new ATOM 0 HE ARG A 79 0.871 -9.904 -18.694 1.00 0.00 H new ATOM 0 HH11 ARG A 79 2.627 -10.726 -21.258 1.00 0.00 H new ATOM 0 HH12 ARG A 79 1.341 -10.730 -22.470 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -0.910 -9.016 -20.360 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -0.692 -9.747 -21.953 1.00 0.00 H new