USER MOD reduce.3.24.130724 H: found=0, std=0, add=384, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 387 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 8 GLN : amide:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot -124:sc= 0.00613 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -149:sc= -0.0652 (180deg=-0.635) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0.32) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 82:sc= 0.458 USER MOD Single : A 39 HIS :FLIP no HD1:sc= -0.644 F(o=-1.9!,f=-0.64) USER MOD Single : A 47 HIS :FLIP no HD1:sc= -0.156 F(o=-1.3,f=-0.16) USER MOD Single : A 60 GLN :FLIP amide:sc= -0.117 F(o=-0.76,f=-0.12) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot -81:sc= 0.0189 USER MOD Single : A 66 ASN : amide:sc= 0.0642 K(o=0.064,f=-0.87) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N GLN A 8 8.954 -2.843 -4.785 1.00 0.00 N ATOM 67 CA GLN A 8 8.961 -1.787 -3.780 1.00 0.00 C ATOM 68 C GLN A 8 8.164 -2.203 -2.548 1.00 0.00 C ATOM 69 O GLN A 8 6.933 -2.210 -2.567 1.00 0.00 O ATOM 70 CB GLN A 8 8.385 -0.495 -4.363 1.00 0.00 C ATOM 71 CG GLN A 8 9.318 0.199 -5.342 1.00 0.00 C ATOM 72 CD GLN A 8 8.724 1.472 -5.912 1.00 0.00 C ATOM 73 OE1 GLN A 8 8.747 2.523 -5.270 1.00 0.00 O ATOM 74 NE2 GLN A 8 8.187 1.385 -7.123 1.00 0.00 N ATOM 0 HA GLN A 8 9.994 -1.612 -3.480 1.00 0.00 H new ATOM 0 HB2 GLN A 8 7.445 -0.721 -4.867 1.00 0.00 H new ATOM 0 HB3 GLN A 8 8.153 0.190 -3.548 1.00 0.00 H new ATOM 0 HG2 GLN A 8 10.256 0.434 -4.840 1.00 0.00 H new ATOM 0 HG3 GLN A 8 9.555 -0.484 -6.158 1.00 0.00 H new ATOM 0 HE21 GLN A 8 8.190 0.494 -7.619 1.00 0.00 H new ATOM 0 HE22 GLN A 8 7.772 2.209 -7.557 1.00 0.00 H new ATOM 83 N TYR A 9 8.873 -2.549 -1.480 1.00 0.00 N ATOM 84 CA TYR A 9 8.231 -2.969 -0.240 1.00 0.00 C ATOM 85 C TYR A 9 8.335 -1.880 0.824 1.00 0.00 C ATOM 86 O TYR A 9 9.414 -1.340 1.073 1.00 0.00 O ATOM 87 CB TYR A 9 8.866 -4.262 0.275 1.00 0.00 C ATOM 88 CG TYR A 9 9.123 -5.284 -0.810 1.00 0.00 C ATOM 89 CD1 TYR A 9 8.071 -5.893 -1.481 1.00 0.00 C ATOM 90 CD2 TYR A 9 10.419 -5.638 -1.163 1.00 0.00 C ATOM 91 CE1 TYR A 9 8.302 -6.828 -2.472 1.00 0.00 C ATOM 92 CE2 TYR A 9 10.660 -6.571 -2.154 1.00 0.00 C ATOM 93 CZ TYR A 9 9.598 -7.163 -2.805 1.00 0.00 C ATOM 94 OH TYR A 9 9.832 -8.092 -3.793 1.00 0.00 O ATOM 0 H TYR A 9 9.892 -2.547 -1.448 1.00 0.00 H new ATOM 0 HA TYR A 9 7.176 -3.148 -0.450 1.00 0.00 H new ATOM 0 HB2 TYR A 9 9.808 -4.023 0.768 1.00 0.00 H new ATOM 0 HB3 TYR A 9 8.214 -4.702 1.030 1.00 0.00 H new ATOM 0 HD1 TYR A 9 7.055 -5.632 -1.224 1.00 0.00 H new ATOM 0 HD2 TYR A 9 11.253 -5.176 -0.655 1.00 0.00 H new ATOM 0 HE1 TYR A 9 7.472 -7.294 -2.983 1.00 0.00 H new ATOM 0 HE2 TYR A 9 11.674 -6.835 -2.417 1.00 0.00 H new ATOM 0 HH TYR A 9 10.798 -8.213 -3.906 1.00 0.00 H new ATOM 104 N PHE A 10 7.206 -1.562 1.448 1.00 0.00 N ATOM 105 CA PHE A 10 7.168 -0.537 2.485 1.00 0.00 C ATOM 106 C PHE A 10 6.520 -1.075 3.757 1.00 0.00 C ATOM 107 O PHE A 10 5.930 -2.155 3.758 1.00 0.00 O ATOM 108 CB PHE A 10 6.403 0.692 1.989 1.00 0.00 C ATOM 109 CG PHE A 10 7.193 1.547 1.040 1.00 0.00 C ATOM 110 CD1 PHE A 10 7.352 1.172 -0.284 1.00 0.00 C ATOM 111 CD2 PHE A 10 7.778 2.727 1.473 1.00 0.00 C ATOM 112 CE1 PHE A 10 8.078 1.957 -1.160 1.00 0.00 C ATOM 113 CE2 PHE A 10 8.505 3.516 0.602 1.00 0.00 C ATOM 114 CZ PHE A 10 8.656 3.130 -0.716 1.00 0.00 C ATOM 0 H PHE A 10 6.305 -1.999 1.254 1.00 0.00 H new ATOM 0 HA PHE A 10 8.194 -0.249 2.715 1.00 0.00 H new ATOM 0 HB2 PHE A 10 5.488 0.366 1.495 1.00 0.00 H new ATOM 0 HB3 PHE A 10 6.105 1.295 2.847 1.00 0.00 H new ATOM 0 HD1 PHE A 10 6.903 0.255 -0.636 1.00 0.00 H new ATOM 0 HD2 PHE A 10 7.664 3.033 2.502 1.00 0.00 H new ATOM 0 HE1 PHE A 10 8.193 1.653 -2.190 1.00 0.00 H new ATOM 0 HE2 PHE A 10 8.955 4.434 0.951 1.00 0.00 H new ATOM 0 HZ PHE A 10 9.225 3.745 -1.398 1.00 0.00 H new ATOM 124 N VAL A 11 6.636 -0.313 4.840 1.00 0.00 N ATOM 125 CA VAL A 11 6.061 -0.711 6.120 1.00 0.00 C ATOM 126 C VAL A 11 5.271 0.432 6.747 1.00 0.00 C ATOM 127 O VAL A 11 5.735 1.571 6.790 1.00 0.00 O ATOM 128 CB VAL A 11 7.152 -1.168 7.107 1.00 0.00 C ATOM 129 CG1 VAL A 11 7.855 0.033 7.720 1.00 0.00 C ATOM 130 CG2 VAL A 11 6.554 -2.055 8.188 1.00 0.00 C ATOM 0 H VAL A 11 7.123 0.583 4.857 1.00 0.00 H new ATOM 0 HA VAL A 11 5.389 -1.546 5.919 1.00 0.00 H new ATOM 0 HB VAL A 11 7.892 -1.751 6.559 1.00 0.00 H new ATOM 0 HG11 VAL A 11 8.622 -0.310 8.414 1.00 0.00 H new ATOM 0 HG12 VAL A 11 8.318 0.625 6.931 1.00 0.00 H new ATOM 0 HG13 VAL A 11 7.129 0.646 8.255 1.00 0.00 H new ATOM 0 HG21 VAL A 11 7.339 -2.369 8.876 1.00 0.00 H new ATOM 0 HG22 VAL A 11 5.792 -1.499 8.735 1.00 0.00 H new ATOM 0 HG23 VAL A 11 6.102 -2.934 7.729 1.00 0.00 H new ATOM 140 N ALA A 12 4.074 0.120 7.233 1.00 0.00 N ATOM 141 CA ALA A 12 3.220 1.120 7.861 1.00 0.00 C ATOM 142 C ALA A 12 3.758 1.521 9.230 1.00 0.00 C ATOM 143 O ALA A 12 3.950 0.676 10.105 1.00 0.00 O ATOM 144 CB ALA A 12 1.797 0.597 7.984 1.00 0.00 C ATOM 0 H ALA A 12 3.674 -0.818 7.204 1.00 0.00 H new ATOM 0 HA ALA A 12 3.216 2.007 7.227 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.170 1.354 8.455 1.00 0.00 H new ATOM 0 HB2 ALA A 12 1.406 0.368 6.992 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.793 -0.307 8.593 1.00 0.00 H new ATOM 150 N LEU A 13 4.001 2.815 9.409 1.00 0.00 N ATOM 151 CA LEU A 13 4.519 3.328 10.673 1.00 0.00 C ATOM 152 C LEU A 13 3.382 3.633 11.643 1.00 0.00 C ATOM 153 O LEU A 13 3.558 3.574 12.860 1.00 0.00 O ATOM 154 CB LEU A 13 5.350 4.590 10.431 1.00 0.00 C ATOM 155 CG LEU A 13 6.473 4.466 9.401 1.00 0.00 C ATOM 156 CD1 LEU A 13 6.776 5.819 8.777 1.00 0.00 C ATOM 157 CD2 LEU A 13 7.723 3.881 10.042 1.00 0.00 C ATOM 0 H LEU A 13 3.848 3.528 8.696 1.00 0.00 H new ATOM 0 HA LEU A 13 5.154 2.561 11.116 1.00 0.00 H new ATOM 0 HB2 LEU A 13 4.679 5.388 10.113 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.787 4.901 11.380 1.00 0.00 H new ATOM 0 HG LEU A 13 6.143 3.790 8.612 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.578 5.711 8.046 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.883 6.200 8.282 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.085 6.517 9.555 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.512 3.800 9.294 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.056 4.531 10.851 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.498 2.892 10.441 1.00 0.00 H new ATOM 169 N PHE A 14 2.215 3.957 11.096 1.00 0.00 N ATOM 170 CA PHE A 14 1.049 4.269 11.914 1.00 0.00 C ATOM 171 C PHE A 14 -0.227 3.737 11.267 1.00 0.00 C ATOM 172 O PHE A 14 -0.258 3.457 10.068 1.00 0.00 O ATOM 173 CB PHE A 14 0.936 5.781 12.123 1.00 0.00 C ATOM 174 CG PHE A 14 2.258 6.454 12.354 1.00 0.00 C ATOM 175 CD1 PHE A 14 3.000 6.938 11.288 1.00 0.00 C ATOM 176 CD2 PHE A 14 2.759 6.604 13.637 1.00 0.00 C ATOM 177 CE1 PHE A 14 4.217 7.557 11.498 1.00 0.00 C ATOM 178 CE2 PHE A 14 3.976 7.223 13.853 1.00 0.00 C ATOM 179 CZ PHE A 14 4.705 7.701 12.783 1.00 0.00 C ATOM 0 H PHE A 14 2.052 4.010 10.091 1.00 0.00 H new ATOM 0 HA PHE A 14 1.175 3.784 12.882 1.00 0.00 H new ATOM 0 HB2 PHE A 14 0.458 6.226 11.250 1.00 0.00 H new ATOM 0 HB3 PHE A 14 0.285 5.974 12.976 1.00 0.00 H new ATOM 0 HD1 PHE A 14 2.622 6.830 10.282 1.00 0.00 H new ATOM 0 HD2 PHE A 14 2.192 6.233 14.478 1.00 0.00 H new ATOM 0 HE1 PHE A 14 4.787 7.928 10.659 1.00 0.00 H new ATOM 0 HE2 PHE A 14 4.356 7.332 14.858 1.00 0.00 H new ATOM 0 HZ PHE A 14 5.655 8.187 12.950 1.00 0.00 H new ATOM 189 N ASP A 15 -1.277 3.599 12.069 1.00 0.00 N ATOM 190 CA ASP A 15 -2.556 3.101 11.576 1.00 0.00 C ATOM 191 C ASP A 15 -3.306 4.190 10.816 1.00 0.00 C ATOM 192 O ASP A 15 -3.338 5.347 11.238 1.00 0.00 O ATOM 193 CB ASP A 15 -3.410 2.591 12.737 1.00 0.00 C ATOM 194 CG ASP A 15 -3.301 3.471 13.967 1.00 0.00 C ATOM 195 OD1 ASP A 15 -3.578 4.683 13.855 1.00 0.00 O ATOM 196 OD2 ASP A 15 -2.937 2.947 15.041 1.00 0.00 O ATOM 0 H ASP A 15 -1.268 3.825 13.064 1.00 0.00 H new ATOM 0 HA ASP A 15 -2.358 2.276 10.891 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -4.452 2.539 12.422 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -3.103 1.576 12.991 1.00 0.00 H new ATOM 201 N TYR A 16 -3.909 3.813 9.694 1.00 0.00 N ATOM 202 CA TYR A 16 -4.656 4.758 8.873 1.00 0.00 C ATOM 203 C TYR A 16 -6.000 4.171 8.452 1.00 0.00 C ATOM 204 O TYR A 16 -6.104 2.980 8.161 1.00 0.00 O ATOM 205 CB TYR A 16 -3.845 5.143 7.634 1.00 0.00 C ATOM 206 CG TYR A 16 -4.689 5.678 6.500 1.00 0.00 C ATOM 207 CD1 TYR A 16 -5.241 4.822 5.555 1.00 0.00 C ATOM 208 CD2 TYR A 16 -4.934 7.040 6.372 1.00 0.00 C ATOM 209 CE1 TYR A 16 -6.012 5.307 4.516 1.00 0.00 C ATOM 210 CE2 TYR A 16 -5.706 7.533 5.338 1.00 0.00 C ATOM 211 CZ TYR A 16 -6.242 6.663 4.412 1.00 0.00 C ATOM 212 OH TYR A 16 -7.010 7.150 3.380 1.00 0.00 O ATOM 0 H TYR A 16 -3.895 2.859 9.332 1.00 0.00 H new ATOM 0 HA TYR A 16 -4.841 5.651 9.470 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -3.107 5.895 7.913 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -3.294 4.270 7.285 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -5.064 3.759 5.634 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -4.514 7.725 7.093 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -6.432 4.628 3.789 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -5.889 8.594 5.255 1.00 0.00 H new ATOM 0 HH TYR A 16 -6.497 7.816 2.876 1.00 0.00 H new ATOM 222 N GLN A 17 -7.025 5.016 8.422 1.00 0.00 N ATOM 223 CA GLN A 17 -8.362 4.582 8.038 1.00 0.00 C ATOM 224 C GLN A 17 -8.802 5.257 6.743 1.00 0.00 C ATOM 225 O GLN A 17 -8.781 6.482 6.632 1.00 0.00 O ATOM 226 CB GLN A 17 -9.362 4.890 9.153 1.00 0.00 C ATOM 227 CG GLN A 17 -10.784 4.458 8.833 1.00 0.00 C ATOM 228 CD GLN A 17 -11.825 5.331 9.504 1.00 0.00 C ATOM 229 OE1 GLN A 17 -12.229 6.362 8.965 1.00 0.00 O ATOM 230 NE2 GLN A 17 -12.266 4.923 10.688 1.00 0.00 N ATOM 0 H GLN A 17 -6.955 6.006 8.659 1.00 0.00 H new ATOM 0 HA GLN A 17 -8.333 3.505 7.874 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -9.038 4.394 10.068 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -9.353 5.962 9.352 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -10.934 4.486 7.754 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -10.925 3.424 9.148 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -11.904 4.062 11.098 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -12.967 5.470 11.187 1.00 0.00 H new ATOM 312 N ASP A 23 -9.494 4.724 -1.537 1.00 0.00 N ATOM 313 CA ASP A 23 -8.351 4.721 -0.631 1.00 0.00 C ATOM 314 C ASP A 23 -8.236 3.384 0.094 1.00 0.00 C ATOM 315 O ASP A 23 -9.234 2.826 0.552 1.00 0.00 O ATOM 316 CB ASP A 23 -8.476 5.857 0.386 1.00 0.00 C ATOM 317 CG ASP A 23 -7.891 7.159 -0.127 1.00 0.00 C ATOM 318 OD1 ASP A 23 -6.823 7.116 -0.772 1.00 0.00 O ATOM 319 OD2 ASP A 23 -8.502 8.221 0.118 1.00 0.00 O ATOM 0 HA ASP A 23 -7.449 4.872 -1.224 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.527 6.006 0.633 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -7.970 5.573 1.308 1.00 0.00 H new ATOM 324 N LEU A 24 -7.013 2.874 0.193 1.00 0.00 N ATOM 325 CA LEU A 24 -6.767 1.601 0.862 1.00 0.00 C ATOM 326 C LEU A 24 -6.379 1.818 2.321 1.00 0.00 C ATOM 327 O LEU A 24 -5.568 2.689 2.635 1.00 0.00 O ATOM 328 CB LEU A 24 -5.664 0.827 0.138 1.00 0.00 C ATOM 329 CG LEU A 24 -5.497 -0.639 0.540 1.00 0.00 C ATOM 330 CD1 LEU A 24 -6.636 -1.478 -0.017 1.00 0.00 C ATOM 331 CD2 LEU A 24 -4.155 -1.174 0.062 1.00 0.00 C ATOM 0 H LEU A 24 -6.177 3.322 -0.181 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.689 1.020 0.834 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.862 0.869 -0.933 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.717 1.339 0.308 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.524 -0.703 1.628 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.500 -2.518 0.279 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.584 -1.110 0.375 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.641 -1.408 -1.105 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.054 -2.218 0.357 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.098 -1.096 -1.024 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.350 -0.591 0.510 1.00 0.00 H new ATOM 343 N SER A 25 -6.962 1.018 3.208 1.00 0.00 N ATOM 344 CA SER A 25 -6.678 1.123 4.635 1.00 0.00 C ATOM 345 C SER A 25 -5.614 0.113 5.053 1.00 0.00 C ATOM 346 O SER A 25 -5.413 -0.904 4.390 1.00 0.00 O ATOM 347 CB SER A 25 -7.955 0.903 5.448 1.00 0.00 C ATOM 348 OG SER A 25 -8.395 -0.441 5.352 1.00 0.00 O ATOM 0 H SER A 25 -7.634 0.290 2.964 1.00 0.00 H new ATOM 0 HA SER A 25 -6.299 2.126 4.832 1.00 0.00 H new ATOM 0 HB2 SER A 25 -7.773 1.156 6.493 1.00 0.00 H new ATOM 0 HB3 SER A 25 -8.738 1.572 5.090 1.00 0.00 H new ATOM 0 HG SER A 25 -9.212 -0.557 5.881 1.00 0.00 H new ATOM 354 N PHE A 26 -4.935 0.402 6.159 1.00 0.00 N ATOM 355 CA PHE A 26 -3.891 -0.480 6.667 1.00 0.00 C ATOM 356 C PHE A 26 -3.603 -0.190 8.137 1.00 0.00 C ATOM 357 O PHE A 26 -4.053 0.817 8.682 1.00 0.00 O ATOM 358 CB PHE A 26 -2.612 -0.317 5.843 1.00 0.00 C ATOM 359 CG PHE A 26 -2.171 1.111 5.696 1.00 0.00 C ATOM 360 CD1 PHE A 26 -2.635 1.890 4.648 1.00 0.00 C ATOM 361 CD2 PHE A 26 -1.291 1.675 6.606 1.00 0.00 C ATOM 362 CE1 PHE A 26 -2.231 3.204 4.511 1.00 0.00 C ATOM 363 CE2 PHE A 26 -0.884 2.990 6.474 1.00 0.00 C ATOM 364 CZ PHE A 26 -1.354 3.755 5.424 1.00 0.00 C ATOM 0 H PHE A 26 -5.089 1.240 6.720 1.00 0.00 H new ATOM 0 HA PHE A 26 -4.243 -1.508 6.580 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -1.812 -0.889 6.312 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -2.771 -0.744 4.853 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -3.321 1.465 3.930 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -0.919 1.081 7.428 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -2.601 3.800 3.690 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.199 3.419 7.191 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.036 4.782 5.318 1.00 0.00 H new ATOM 374 N ARG A 27 -2.849 -1.082 8.772 1.00 0.00 N ATOM 375 CA ARG A 27 -2.502 -0.924 10.179 1.00 0.00 C ATOM 376 C ARG A 27 -0.988 -0.866 10.363 1.00 0.00 C ATOM 377 O ARG A 27 -0.230 -1.198 9.452 1.00 0.00 O ATOM 378 CB ARG A 27 -3.082 -2.077 11.002 1.00 0.00 C ATOM 379 CG ARG A 27 -4.595 -2.187 10.914 1.00 0.00 C ATOM 380 CD ARG A 27 -5.174 -2.895 12.128 1.00 0.00 C ATOM 381 NE ARG A 27 -5.128 -4.348 11.989 1.00 0.00 N ATOM 382 CZ ARG A 27 -5.738 -5.186 12.819 1.00 0.00 C ATOM 383 NH1 ARG A 27 -6.438 -4.718 13.843 1.00 0.00 N ATOM 384 NH2 ARG A 27 -5.649 -6.496 12.626 1.00 0.00 N ATOM 0 H ARG A 27 -2.467 -1.921 8.335 1.00 0.00 H new ATOM 0 HA ARG A 27 -2.930 0.015 10.529 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -2.638 -3.013 10.664 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -2.796 -1.947 12.046 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -5.029 -1.191 10.831 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -4.869 -2.730 10.010 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -4.620 -2.599 13.019 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -6.206 -2.578 12.274 1.00 0.00 H new ATOM 0 HE ARG A 27 -4.598 -4.741 11.211 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -6.509 -3.712 13.995 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -6.906 -5.364 14.479 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -5.112 -6.860 11.839 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -6.118 -7.139 13.264 1.00 0.00 H new ATOM 398 N ALA A 28 -0.556 -0.441 11.546 1.00 0.00 N ATOM 399 CA ALA A 28 0.866 -0.340 11.849 1.00 0.00 C ATOM 400 C ALA A 28 1.549 -1.699 11.735 1.00 0.00 C ATOM 401 O ALA A 28 1.265 -2.614 12.506 1.00 0.00 O ATOM 402 CB ALA A 28 1.069 0.240 13.240 1.00 0.00 C ATOM 0 H ALA A 28 -1.171 -0.161 12.310 1.00 0.00 H new ATOM 0 HA ALA A 28 1.322 0.329 11.119 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.136 0.310 13.453 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.624 1.234 13.288 1.00 0.00 H new ATOM 0 HB3 ALA A 28 0.593 -0.407 13.977 1.00 0.00 H new ATOM 408 N GLY A 29 2.451 -1.823 10.766 1.00 0.00 N ATOM 409 CA GLY A 29 3.160 -3.074 10.569 1.00 0.00 C ATOM 410 C GLY A 29 2.513 -3.946 9.511 1.00 0.00 C ATOM 411 O GLY A 29 2.523 -5.173 9.617 1.00 0.00 O ATOM 0 H GLY A 29 2.703 -1.080 10.114 1.00 0.00 H new ATOM 0 HA2 GLY A 29 4.190 -2.863 10.282 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.197 -3.619 11.512 1.00 0.00 H new ATOM 415 N ASP A 30 1.948 -3.313 8.489 1.00 0.00 N ATOM 416 CA ASP A 30 1.292 -4.040 7.408 1.00 0.00 C ATOM 417 C ASP A 30 2.101 -3.941 6.118 1.00 0.00 C ATOM 418 O ASP A 30 2.321 -2.850 5.592 1.00 0.00 O ATOM 419 CB ASP A 30 -0.119 -3.496 7.182 1.00 0.00 C ATOM 420 CG ASP A 30 -1.045 -3.784 8.348 1.00 0.00 C ATOM 421 OD1 ASP A 30 -0.582 -3.708 9.505 1.00 0.00 O ATOM 422 OD2 ASP A 30 -2.231 -4.088 8.103 1.00 0.00 O ATOM 0 H ASP A 30 1.931 -2.298 8.386 1.00 0.00 H new ATOM 0 HA ASP A 30 1.227 -5.089 7.696 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -0.068 -2.419 7.020 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.534 -3.936 6.275 1.00 0.00 H new ATOM 427 N LYS A 31 2.543 -5.088 5.614 1.00 0.00 N ATOM 428 CA LYS A 31 3.328 -5.133 4.386 1.00 0.00 C ATOM 429 C LYS A 31 2.495 -4.679 3.191 1.00 0.00 C ATOM 430 O LYS A 31 1.409 -5.205 2.942 1.00 0.00 O ATOM 431 CB LYS A 31 3.855 -6.549 4.145 1.00 0.00 C ATOM 432 CG LYS A 31 4.714 -7.080 5.279 1.00 0.00 C ATOM 433 CD LYS A 31 6.133 -6.540 5.204 1.00 0.00 C ATOM 434 CE LYS A 31 6.867 -6.718 6.524 1.00 0.00 C ATOM 435 NZ LYS A 31 6.289 -5.866 7.600 1.00 0.00 N ATOM 0 H LYS A 31 2.371 -6.000 6.037 1.00 0.00 H new ATOM 0 HA LYS A 31 4.172 -4.452 4.498 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.010 -7.221 3.995 1.00 0.00 H new ATOM 0 HB3 LYS A 31 4.438 -6.559 3.224 1.00 0.00 H new ATOM 0 HG2 LYS A 31 4.268 -6.803 6.234 1.00 0.00 H new ATOM 0 HG3 LYS A 31 4.736 -8.169 5.241 1.00 0.00 H new ATOM 0 HD2 LYS A 31 6.677 -7.053 4.412 1.00 0.00 H new ATOM 0 HD3 LYS A 31 6.108 -5.483 4.940 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.822 -7.764 6.826 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.920 -6.470 6.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.039 -5.593 8.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 5.872 -5.011 7.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 5.552 -6.398 8.106 1.00 0.00 H new ATOM 449 N LEU A 32 3.010 -3.701 2.454 1.00 0.00 N ATOM 450 CA LEU A 32 2.314 -3.177 1.284 1.00 0.00 C ATOM 451 C LEU A 32 3.299 -2.858 0.163 1.00 0.00 C ATOM 452 O LEU A 32 4.263 -2.120 0.363 1.00 0.00 O ATOM 453 CB LEU A 32 1.523 -1.922 1.656 1.00 0.00 C ATOM 454 CG LEU A 32 0.402 -2.113 2.677 1.00 0.00 C ATOM 455 CD1 LEU A 32 0.108 -0.807 3.399 1.00 0.00 C ATOM 456 CD2 LEU A 32 -0.853 -2.644 1.999 1.00 0.00 C ATOM 0 H LEU A 32 3.907 -3.255 2.646 1.00 0.00 H new ATOM 0 HA LEU A 32 1.623 -3.942 0.929 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.220 -1.180 2.046 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.091 -1.506 0.746 1.00 0.00 H new ATOM 0 HG LEU A 32 0.730 -2.846 3.414 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.693 -0.963 4.122 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.005 -0.469 3.918 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.199 -0.052 2.675 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.640 -2.774 2.741 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.184 -1.936 1.239 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.635 -3.603 1.530 1.00 0.00 H new ATOM 468 N GLN A 33 3.047 -3.418 -1.016 1.00 0.00 N ATOM 469 CA GLN A 33 3.910 -3.192 -2.169 1.00 0.00 C ATOM 470 C GLN A 33 3.382 -2.049 -3.028 1.00 0.00 C ATOM 471 O GLN A 33 2.268 -2.114 -3.550 1.00 0.00 O ATOM 472 CB GLN A 33 4.022 -4.467 -3.007 1.00 0.00 C ATOM 473 CG GLN A 33 5.101 -4.399 -4.076 1.00 0.00 C ATOM 474 CD GLN A 33 5.191 -5.672 -4.895 1.00 0.00 C ATOM 475 OE1 GLN A 33 6.232 -6.328 -4.931 1.00 0.00 O ATOM 476 NE2 GLN A 33 4.097 -6.028 -5.558 1.00 0.00 N ATOM 0 H GLN A 33 2.252 -4.031 -1.198 1.00 0.00 H new ATOM 0 HA GLN A 33 4.900 -2.919 -1.802 1.00 0.00 H new ATOM 0 HB2 GLN A 33 4.229 -5.309 -2.347 1.00 0.00 H new ATOM 0 HB3 GLN A 33 3.062 -4.664 -3.484 1.00 0.00 H new ATOM 0 HG2 GLN A 33 4.898 -3.558 -4.739 1.00 0.00 H new ATOM 0 HG3 GLN A 33 6.064 -4.207 -3.603 1.00 0.00 H new ATOM 0 HE21 GLN A 33 3.256 -5.454 -5.500 1.00 0.00 H new ATOM 0 HE22 GLN A 33 4.098 -6.875 -6.126 1.00 0.00 H new ATOM 485 N VAL A 34 4.187 -1.001 -3.172 1.00 0.00 N ATOM 486 CA VAL A 34 3.801 0.157 -3.969 1.00 0.00 C ATOM 487 C VAL A 34 3.875 -0.153 -5.460 1.00 0.00 C ATOM 488 O VAL A 34 4.890 -0.648 -5.953 1.00 0.00 O ATOM 489 CB VAL A 34 4.696 1.372 -3.664 1.00 0.00 C ATOM 490 CG1 VAL A 34 4.481 2.468 -4.697 1.00 0.00 C ATOM 491 CG2 VAL A 34 4.427 1.892 -2.260 1.00 0.00 C ATOM 0 H VAL A 34 5.111 -0.930 -2.747 1.00 0.00 H new ATOM 0 HA VAL A 34 2.772 0.397 -3.701 1.00 0.00 H new ATOM 0 HB VAL A 34 5.738 1.056 -3.717 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.122 3.318 -4.464 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.728 2.087 -5.688 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.438 2.785 -4.680 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.068 2.751 -2.061 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.382 2.192 -2.177 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.637 1.106 -1.534 1.00 0.00 H new ATOM 501 N LEU A 35 2.794 0.141 -6.174 1.00 0.00 N ATOM 502 CA LEU A 35 2.736 -0.106 -7.611 1.00 0.00 C ATOM 503 C LEU A 35 2.930 1.189 -8.394 1.00 0.00 C ATOM 504 O LEU A 35 3.800 1.277 -9.261 1.00 0.00 O ATOM 505 CB LEU A 35 1.398 -0.745 -7.985 1.00 0.00 C ATOM 506 CG LEU A 35 0.999 -1.985 -7.184 1.00 0.00 C ATOM 507 CD1 LEU A 35 -0.484 -2.276 -7.353 1.00 0.00 C ATOM 508 CD2 LEU A 35 1.832 -3.185 -7.610 1.00 0.00 C ATOM 0 H LEU A 35 1.946 0.550 -5.782 1.00 0.00 H new ATOM 0 HA LEU A 35 3.544 -0.791 -7.870 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.615 0.005 -7.870 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.429 -1.014 -9.041 1.00 0.00 H new ATOM 0 HG LEU A 35 1.191 -1.790 -6.129 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.749 -3.162 -6.776 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.065 -1.424 -6.998 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.703 -2.451 -8.406 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.535 -4.059 -7.030 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.671 -3.382 -8.670 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.887 -2.976 -7.436 1.00 0.00 H new ATOM 520 N ASP A 36 2.117 2.191 -8.081 1.00 0.00 N ATOM 521 CA ASP A 36 2.201 3.483 -8.752 1.00 0.00 C ATOM 522 C ASP A 36 2.716 4.558 -7.800 1.00 0.00 C ATOM 523 O ASP A 36 2.267 4.659 -6.658 1.00 0.00 O ATOM 524 CB ASP A 36 0.833 3.885 -9.304 1.00 0.00 C ATOM 525 CG ASP A 36 0.934 4.920 -10.407 1.00 0.00 C ATOM 526 OD1 ASP A 36 1.708 5.887 -10.244 1.00 0.00 O ATOM 527 OD2 ASP A 36 0.240 4.765 -11.433 1.00 0.00 O ATOM 0 H ASP A 36 1.392 2.134 -7.366 1.00 0.00 H new ATOM 0 HA ASP A 36 2.904 3.390 -9.579 1.00 0.00 H new ATOM 0 HB2 ASP A 36 0.324 3.000 -9.686 1.00 0.00 H new ATOM 0 HB3 ASP A 36 0.220 4.280 -8.494 1.00 0.00 H new ATOM 532 N THR A 37 3.662 5.361 -8.277 1.00 0.00 N ATOM 533 CA THR A 37 4.240 6.427 -7.469 1.00 0.00 C ATOM 534 C THR A 37 4.281 7.741 -8.240 1.00 0.00 C ATOM 535 O THR A 37 5.265 8.479 -8.176 1.00 0.00 O ATOM 536 CB THR A 37 5.665 6.071 -7.005 1.00 0.00 C ATOM 537 OG1 THR A 37 6.493 5.789 -8.139 1.00 0.00 O ATOM 538 CG2 THR A 37 5.647 4.869 -6.073 1.00 0.00 C ATOM 0 H THR A 37 4.044 5.293 -9.220 1.00 0.00 H new ATOM 0 HA THR A 37 3.600 6.543 -6.594 1.00 0.00 H new ATOM 0 HB THR A 37 6.070 6.925 -6.462 1.00 0.00 H new ATOM 0 HG1 THR A 37 7.398 5.565 -7.836 1.00 0.00 H new ATOM 0 HG21 THR A 37 6.665 4.637 -5.759 1.00 0.00 H new ATOM 0 HG22 THR A 37 5.040 5.097 -5.197 1.00 0.00 H new ATOM 0 HG23 THR A 37 5.224 4.011 -6.594 1.00 0.00 H new ATOM 546 N SER A 38 3.207 8.029 -8.968 1.00 0.00 N ATOM 547 CA SER A 38 3.122 9.254 -9.754 1.00 0.00 C ATOM 548 C SER A 38 2.587 10.406 -8.910 1.00 0.00 C ATOM 549 O SER A 38 3.333 11.305 -8.520 1.00 0.00 O ATOM 550 CB SER A 38 2.224 9.040 -10.975 1.00 0.00 C ATOM 551 OG SER A 38 2.784 8.085 -11.859 1.00 0.00 O ATOM 0 H SER A 38 2.383 7.430 -9.030 1.00 0.00 H new ATOM 0 HA SER A 38 4.126 9.511 -10.091 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.238 8.706 -10.651 1.00 0.00 H new ATOM 0 HB3 SER A 38 2.084 9.986 -11.498 1.00 0.00 H new ATOM 0 HG SER A 38 2.570 7.182 -11.544 1.00 0.00 H new ATOM 557 N HIS A 39 1.288 10.372 -8.630 1.00 0.00 N ATOM 558 CA HIS A 39 0.651 11.413 -7.831 1.00 0.00 C ATOM 559 C HIS A 39 1.424 11.655 -6.538 1.00 0.00 C ATOM 560 O HIS A 39 1.272 10.916 -5.566 1.00 0.00 O ATOM 561 CB HIS A 39 -0.793 11.026 -7.510 1.00 0.00 C ATOM 562 CG HIS A 39 -1.549 12.091 -6.775 1.00 0.00 C ATOM 563 ND1 HIS A 39 -1.141 12.983 -5.843 1.00 0.00 N flip ATOM 564 CD2 HIS A 39 -2.894 12.327 -6.966 1.00 0.00 C flip ATOM 565 CE1 HIS A 39 -2.235 13.735 -5.493 1.00 0.00 C flip ATOM 566 NE2 HIS A 39 -3.280 13.320 -6.185 1.00 0.00 N flip ATOM 0 H HIS A 39 0.656 9.635 -8.944 1.00 0.00 H new ATOM 0 HA HIS A 39 0.652 12.335 -8.412 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -1.314 10.797 -8.439 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -0.792 10.114 -6.912 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -3.532 11.785 -7.648 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -2.240 14.536 -4.769 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -4.224 13.701 -6.127 1.00 0.00 H new ATOM 575 N GLU A 40 2.254 12.694 -6.536 1.00 0.00 N ATOM 576 CA GLU A 40 3.051 13.031 -5.363 1.00 0.00 C ATOM 577 C GLU A 40 2.188 13.052 -4.105 1.00 0.00 C ATOM 578 O GLU A 40 1.328 13.917 -3.943 1.00 0.00 O ATOM 579 CB GLU A 40 3.728 14.390 -5.552 1.00 0.00 C ATOM 580 CG GLU A 40 5.059 14.311 -6.281 1.00 0.00 C ATOM 581 CD GLU A 40 6.106 13.538 -5.502 1.00 0.00 C ATOM 582 OE1 GLU A 40 6.270 13.815 -4.295 1.00 0.00 O ATOM 583 OE2 GLU A 40 6.760 12.657 -6.098 1.00 0.00 O ATOM 0 H GLU A 40 2.391 13.316 -7.333 1.00 0.00 H new ATOM 0 HA GLU A 40 3.817 12.264 -5.244 1.00 0.00 H new ATOM 0 HB2 GLU A 40 3.058 15.046 -6.107 1.00 0.00 H new ATOM 0 HB3 GLU A 40 3.885 14.847 -4.575 1.00 0.00 H new ATOM 0 HG2 GLU A 40 4.910 13.837 -7.251 1.00 0.00 H new ATOM 0 HG3 GLU A 40 5.425 15.320 -6.472 1.00 0.00 H new ATOM 590 N GLY A 41 2.422 12.091 -3.217 1.00 0.00 N ATOM 591 CA GLY A 41 1.658 12.016 -1.985 1.00 0.00 C ATOM 592 C GLY A 41 0.928 10.696 -1.835 1.00 0.00 C ATOM 593 O GLY A 41 1.230 9.912 -0.936 1.00 0.00 O ATOM 0 H GLY A 41 3.127 11.363 -3.329 1.00 0.00 H new ATOM 0 HA2 GLY A 41 2.328 12.156 -1.137 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.936 12.832 -1.959 1.00 0.00 H new ATOM 597 N TRP A 42 -0.035 10.451 -2.716 1.00 0.00 N ATOM 598 CA TRP A 42 -0.811 9.217 -2.676 1.00 0.00 C ATOM 599 C TRP A 42 -0.263 8.197 -3.668 1.00 0.00 C ATOM 600 O TRP A 42 -0.106 8.491 -4.853 1.00 0.00 O ATOM 601 CB TRP A 42 -2.282 9.505 -2.983 1.00 0.00 C ATOM 602 CG TRP A 42 -2.947 10.362 -1.949 1.00 0.00 C ATOM 603 CD1 TRP A 42 -3.006 11.726 -1.928 1.00 0.00 C ATOM 604 CD2 TRP A 42 -3.647 9.911 -0.784 1.00 0.00 C ATOM 605 NE1 TRP A 42 -3.700 12.150 -0.821 1.00 0.00 N ATOM 606 CE2 TRP A 42 -4.104 11.056 -0.103 1.00 0.00 C ATOM 607 CE3 TRP A 42 -3.934 8.651 -0.251 1.00 0.00 C ATOM 608 CZ2 TRP A 42 -4.830 10.976 1.082 1.00 0.00 C ATOM 609 CZ3 TRP A 42 -4.654 8.574 0.926 1.00 0.00 C ATOM 610 CH2 TRP A 42 -5.097 9.731 1.582 1.00 0.00 C ATOM 0 H TRP A 42 -0.297 11.090 -3.466 1.00 0.00 H new ATOM 0 HA TRP A 42 -0.731 8.800 -1.672 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -2.354 9.997 -3.953 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -2.821 8.561 -3.063 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -2.571 12.376 -2.673 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -3.885 13.122 -0.574 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -3.599 7.754 -0.750 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -5.171 11.866 1.589 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -4.879 7.606 1.348 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -5.660 9.638 2.499 1.00 0.00 H new ATOM 621 N TRP A 43 0.027 6.998 -3.176 1.00 0.00 N ATOM 622 CA TRP A 43 0.558 5.934 -4.020 1.00 0.00 C ATOM 623 C TRP A 43 -0.430 4.777 -4.124 1.00 0.00 C ATOM 624 O TRP A 43 -1.260 4.575 -3.237 1.00 0.00 O ATOM 625 CB TRP A 43 1.893 5.432 -3.466 1.00 0.00 C ATOM 626 CG TRP A 43 2.970 6.474 -3.478 1.00 0.00 C ATOM 627 CD1 TRP A 43 3.005 7.608 -4.239 1.00 0.00 C ATOM 628 CD2 TRP A 43 4.168 6.477 -2.695 1.00 0.00 C ATOM 629 NE1 TRP A 43 4.153 8.315 -3.975 1.00 0.00 N ATOM 630 CE2 TRP A 43 4.883 7.643 -3.032 1.00 0.00 C ATOM 631 CE3 TRP A 43 4.706 5.609 -1.741 1.00 0.00 C ATOM 632 CZ2 TRP A 43 6.107 7.960 -2.448 1.00 0.00 C ATOM 633 CZ3 TRP A 43 5.921 5.925 -1.163 1.00 0.00 C ATOM 634 CH2 TRP A 43 6.610 7.092 -1.517 1.00 0.00 C ATOM 0 H TRP A 43 -0.097 6.738 -2.197 1.00 0.00 H new ATOM 0 HA TRP A 43 0.718 6.342 -5.018 1.00 0.00 H new ATOM 0 HB2 TRP A 43 1.746 5.083 -2.444 1.00 0.00 H new ATOM 0 HB3 TRP A 43 2.221 4.573 -4.052 1.00 0.00 H new ATOM 0 HD1 TRP A 43 2.243 7.905 -4.944 1.00 0.00 H new ATOM 0 HE1 TRP A 43 4.418 9.198 -4.411 1.00 0.00 H new ATOM 0 HE3 TRP A 43 4.182 4.707 -1.460 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 6.640 8.859 -2.720 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 6.347 5.261 -0.426 1.00 0.00 H new ATOM 0 HH2 TRP A 43 7.557 7.311 -1.046 1.00 0.00 H new ATOM 645 N LEU A 44 -0.336 4.020 -5.212 1.00 0.00 N ATOM 646 CA LEU A 44 -1.222 2.882 -5.432 1.00 0.00 C ATOM 647 C LEU A 44 -0.534 1.575 -5.052 1.00 0.00 C ATOM 648 O LEU A 44 0.255 1.030 -5.824 1.00 0.00 O ATOM 649 CB LEU A 44 -1.667 2.832 -6.895 1.00 0.00 C ATOM 650 CG LEU A 44 -2.547 1.645 -7.288 1.00 0.00 C ATOM 651 CD1 LEU A 44 -3.924 1.769 -6.654 1.00 0.00 C ATOM 652 CD2 LEU A 44 -2.663 1.545 -8.802 1.00 0.00 C ATOM 0 H LEU A 44 0.345 4.174 -5.956 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.099 3.007 -4.797 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -2.208 3.751 -7.121 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.777 2.823 -7.525 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.079 0.733 -6.918 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.537 0.916 -6.945 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.824 1.791 -5.569 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.399 2.689 -6.994 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.293 0.695 -9.063 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -3.107 2.460 -9.194 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.672 1.409 -9.235 1.00 0.00 H new ATOM 664 N ALA A 45 -0.840 1.076 -3.859 1.00 0.00 N ATOM 665 CA ALA A 45 -0.255 -0.169 -3.379 1.00 0.00 C ATOM 666 C ALA A 45 -1.325 -1.238 -3.179 1.00 0.00 C ATOM 667 O ALA A 45 -2.519 -0.938 -3.161 1.00 0.00 O ATOM 668 CB ALA A 45 0.503 0.070 -2.081 1.00 0.00 C ATOM 0 H ALA A 45 -1.490 1.515 -3.207 1.00 0.00 H new ATOM 0 HA ALA A 45 0.444 -0.528 -4.135 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.935 -0.869 -1.734 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.299 0.794 -2.253 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.182 0.456 -1.326 1.00 0.00 H new ATOM 674 N ARG A 46 -0.889 -2.484 -3.031 1.00 0.00 N ATOM 675 CA ARG A 46 -1.810 -3.597 -2.834 1.00 0.00 C ATOM 676 C ARG A 46 -1.463 -4.373 -1.567 1.00 0.00 C ATOM 677 O ARG A 46 -0.309 -4.399 -1.138 1.00 0.00 O ATOM 678 CB ARG A 46 -1.777 -4.534 -4.044 1.00 0.00 C ATOM 679 CG ARG A 46 -0.523 -5.390 -4.117 1.00 0.00 C ATOM 680 CD ARG A 46 -0.508 -6.249 -5.371 1.00 0.00 C ATOM 681 NE ARG A 46 -1.144 -7.546 -5.154 1.00 0.00 N ATOM 682 CZ ARG A 46 -0.668 -8.468 -4.325 1.00 0.00 C ATOM 683 NH1 ARG A 46 0.443 -8.239 -3.640 1.00 0.00 N ATOM 684 NH2 ARG A 46 -1.305 -9.624 -4.181 1.00 0.00 N ATOM 0 H ARG A 46 0.096 -2.749 -3.044 1.00 0.00 H new ATOM 0 HA ARG A 46 -2.815 -3.189 -2.725 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -2.650 -5.186 -4.012 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -1.855 -3.940 -4.955 1.00 0.00 H new ATOM 0 HG2 ARG A 46 0.358 -4.749 -4.103 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -0.466 -6.029 -3.236 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -1.022 -5.724 -6.176 1.00 0.00 H new ATOM 0 HD3 ARG A 46 0.522 -6.400 -5.695 1.00 0.00 H new ATOM 0 HE ARG A 46 -2.000 -7.755 -5.667 1.00 0.00 H new ATOM 0 HH11 ARG A 46 0.935 -7.352 -3.749 1.00 0.00 H new ATOM 0 HH12 ARG A 46 0.806 -8.949 -3.004 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -2.160 -9.804 -4.707 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -0.939 -10.332 -3.544 1.00 0.00 H new ATOM 698 N HIS A 47 -2.470 -5.005 -0.972 1.00 0.00 N ATOM 699 CA HIS A 47 -2.271 -5.782 0.246 1.00 0.00 C ATOM 700 C HIS A 47 -1.451 -7.037 -0.037 1.00 0.00 C ATOM 701 O HIS A 47 -1.743 -7.784 -0.972 1.00 0.00 O ATOM 702 CB HIS A 47 -3.619 -6.166 0.857 1.00 0.00 C ATOM 703 CG HIS A 47 -4.161 -5.142 1.806 1.00 0.00 C ATOM 704 ND1 HIS A 47 -5.197 -4.281 1.681 1.00 0.00 N flip ATOM 705 CD2 HIS A 47 -3.624 -4.915 3.055 1.00 0.00 C flip ATOM 706 CE1 HIS A 47 -5.268 -3.557 2.846 1.00 0.00 C flip ATOM 707 NE2 HIS A 47 -4.307 -3.959 3.659 1.00 0.00 N flip ATOM 0 H HIS A 47 -3.431 -4.994 -1.313 1.00 0.00 H new ATOM 0 HA HIS A 47 -1.722 -5.164 0.956 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -4.340 -6.324 0.055 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -3.513 -7.115 1.382 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -2.777 -5.437 3.474 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -5.991 -2.785 3.062 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -4.124 -3.594 4.593 1.00 0.00 H new ATOM 716 N LEU A 48 -0.425 -7.263 0.775 1.00 0.00 N ATOM 717 CA LEU A 48 0.438 -8.428 0.611 1.00 0.00 C ATOM 718 C LEU A 48 -0.023 -9.577 1.502 1.00 0.00 C ATOM 719 O LEU A 48 0.031 -10.741 1.106 1.00 0.00 O ATOM 720 CB LEU A 48 1.887 -8.064 0.939 1.00 0.00 C ATOM 721 CG LEU A 48 2.518 -6.974 0.072 1.00 0.00 C ATOM 722 CD1 LEU A 48 3.807 -6.470 0.702 1.00 0.00 C ATOM 723 CD2 LEU A 48 2.778 -7.495 -1.334 1.00 0.00 C ATOM 0 H LEU A 48 -0.170 -6.655 1.554 1.00 0.00 H new ATOM 0 HA LEU A 48 0.377 -8.751 -0.428 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.934 -7.745 1.980 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.495 -8.965 0.855 1.00 0.00 H new ATOM 0 HG LEU A 48 1.820 -6.140 0.006 1.00 0.00 H new ATOM 0 HD11 LEU A 48 4.242 -5.695 0.071 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.593 -6.057 1.688 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.512 -7.296 0.799 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.227 -6.706 -1.937 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.457 -8.347 -1.287 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.837 -7.806 -1.787 1.00 0.00 H new ATOM 735 N GLU A 49 -0.479 -9.241 2.704 1.00 0.00 N ATOM 736 CA GLU A 49 -0.952 -10.246 3.650 1.00 0.00 C ATOM 737 C GLU A 49 -2.012 -11.139 3.010 1.00 0.00 C ATOM 738 O GLU A 49 -2.946 -10.654 2.372 1.00 0.00 O ATOM 739 CB GLU A 49 -1.523 -9.573 4.900 1.00 0.00 C ATOM 740 CG GLU A 49 -0.475 -9.264 5.956 1.00 0.00 C ATOM 741 CD GLU A 49 -0.888 -8.127 6.872 1.00 0.00 C ATOM 742 OE1 GLU A 49 -1.140 -7.016 6.362 1.00 0.00 O ATOM 743 OE2 GLU A 49 -0.959 -8.350 8.098 1.00 0.00 O ATOM 0 H GLU A 49 -0.531 -8.282 3.046 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.103 -10.867 3.936 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.019 -8.647 4.610 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.285 -10.220 5.335 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.291 -10.158 6.552 1.00 0.00 H new ATOM 0 HG3 GLU A 49 0.465 -9.008 5.466 1.00 0.00 H new ATOM 882 N LEU A 59 -8.426 -4.308 -2.158 1.00 0.00 N ATOM 883 CA LEU A 59 -7.054 -4.759 -1.953 1.00 0.00 C ATOM 884 C LEU A 59 -6.059 -3.736 -2.491 1.00 0.00 C ATOM 885 O LEU A 59 -4.921 -3.662 -2.029 1.00 0.00 O ATOM 886 CB LEU A 59 -6.833 -6.110 -2.635 1.00 0.00 C ATOM 887 CG LEU A 59 -6.819 -6.096 -4.164 1.00 0.00 C ATOM 888 CD1 LEU A 59 -5.953 -7.225 -4.700 1.00 0.00 C ATOM 889 CD2 LEU A 59 -8.236 -6.202 -4.711 1.00 0.00 C ATOM 0 HA LEU A 59 -6.890 -4.869 -0.881 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.885 -6.519 -2.287 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.616 -6.793 -2.305 1.00 0.00 H new ATOM 0 HG LEU A 59 -6.392 -5.150 -4.496 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.955 -7.199 -5.790 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.933 -7.105 -4.336 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -6.350 -8.181 -4.359 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -8.207 -6.191 -5.801 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -8.689 -7.133 -4.370 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -8.828 -5.359 -4.355 1.00 0.00 H new ATOM 901 N GLN A 60 -6.497 -2.949 -3.468 1.00 0.00 N ATOM 902 CA GLN A 60 -5.644 -1.929 -4.067 1.00 0.00 C ATOM 903 C GLN A 60 -6.310 -0.558 -4.008 1.00 0.00 C ATOM 904 O GLN A 60 -7.512 -0.431 -4.236 1.00 0.00 O ATOM 905 CB GLN A 60 -5.323 -2.291 -5.518 1.00 0.00 C ATOM 906 CG GLN A 60 -4.065 -3.131 -5.671 1.00 0.00 C ATOM 907 CD GLN A 60 -3.828 -3.571 -7.103 1.00 0.00 C ATOM 908 OE1 GLN A 60 -3.397 -2.639 -7.945 1.00 0.00 O flip ATOM 909 NE2 GLN A 60 -4.030 -4.735 -7.448 1.00 0.00 N flip ATOM 0 H GLN A 60 -7.437 -2.998 -3.862 1.00 0.00 H new ATOM 0 HA GLN A 60 -4.716 -1.886 -3.496 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -6.167 -2.834 -5.943 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -5.210 -1.374 -6.096 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -3.205 -2.558 -5.324 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -4.140 -4.011 -5.032 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -4.361 -5.419 -6.767 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -3.866 -5.016 -8.415 1.00 0.00 H new ATOM 918 N GLY A 61 -5.521 0.466 -3.699 1.00 0.00 N ATOM 919 CA GLY A 61 -6.052 1.813 -3.615 1.00 0.00 C ATOM 920 C GLY A 61 -4.982 2.840 -3.303 1.00 0.00 C ATOM 921 O GLY A 61 -3.802 2.504 -3.192 1.00 0.00 O ATOM 0 H GLY A 61 -4.523 0.386 -3.505 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -6.533 2.070 -4.559 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -6.822 1.849 -2.844 1.00 0.00 H new ATOM 925 N TYR A 62 -5.392 4.096 -3.162 1.00 0.00 N ATOM 926 CA TYR A 62 -4.459 5.176 -2.866 1.00 0.00 C ATOM 927 C TYR A 62 -4.150 5.235 -1.373 1.00 0.00 C ATOM 928 O TYR A 62 -5.057 5.216 -0.539 1.00 0.00 O ATOM 929 CB TYR A 62 -5.031 6.516 -3.333 1.00 0.00 C ATOM 930 CG TYR A 62 -5.079 6.663 -4.837 1.00 0.00 C ATOM 931 CD1 TYR A 62 -3.941 6.466 -5.610 1.00 0.00 C ATOM 932 CD2 TYR A 62 -6.261 6.997 -5.485 1.00 0.00 C ATOM 933 CE1 TYR A 62 -3.980 6.600 -6.984 1.00 0.00 C ATOM 934 CE2 TYR A 62 -6.310 7.132 -6.859 1.00 0.00 C ATOM 935 CZ TYR A 62 -5.166 6.933 -7.604 1.00 0.00 C ATOM 936 OH TYR A 62 -5.209 7.066 -8.973 1.00 0.00 O ATOM 0 H TYR A 62 -6.365 4.391 -3.248 1.00 0.00 H new ATOM 0 HA TYR A 62 -3.532 4.978 -3.403 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -6.038 6.631 -2.933 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -4.429 7.323 -2.917 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -3.011 6.204 -5.128 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -7.158 7.154 -4.904 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -3.086 6.445 -7.570 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -7.238 7.392 -7.347 1.00 0.00 H new ATOM 0 HH TYR A 62 -6.119 7.302 -9.250 1.00 0.00 H new ATOM 946 N ILE A 63 -2.865 5.307 -1.043 1.00 0.00 N ATOM 947 CA ILE A 63 -2.436 5.371 0.348 1.00 0.00 C ATOM 948 C ILE A 63 -1.357 6.430 0.543 1.00 0.00 C ATOM 949 O ILE A 63 -0.524 6.672 -0.331 1.00 0.00 O ATOM 950 CB ILE A 63 -1.899 4.012 0.834 1.00 0.00 C ATOM 951 CG1 ILE A 63 -0.682 3.594 0.005 1.00 0.00 C ATOM 952 CG2 ILE A 63 -2.988 2.953 0.757 1.00 0.00 C ATOM 953 CD1 ILE A 63 0.154 2.516 0.660 1.00 0.00 C ATOM 0 H ILE A 63 -2.103 5.322 -1.721 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.314 5.638 0.937 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.590 4.112 1.875 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -1.020 3.239 -0.968 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.057 4.469 -0.174 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.592 1.998 1.104 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.828 3.248 1.386 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.326 2.853 -0.275 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.999 2.270 0.017 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.522 2.875 1.621 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.456 1.626 0.815 1.00 0.00 H new ATOM 965 N PRO A 64 -1.369 7.078 1.718 1.00 0.00 N ATOM 966 CA PRO A 64 -0.397 8.121 2.056 1.00 0.00 C ATOM 967 C PRO A 64 1.005 7.560 2.269 1.00 0.00 C ATOM 968 O PRO A 64 1.194 6.606 3.023 1.00 0.00 O ATOM 969 CB PRO A 64 -0.943 8.705 3.362 1.00 0.00 C ATOM 970 CG PRO A 64 -1.747 7.604 3.962 1.00 0.00 C ATOM 971 CD PRO A 64 -2.333 6.842 2.806 1.00 0.00 C ATOM 0 HA PRO A 64 -0.291 8.854 1.256 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -0.135 9.013 4.026 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -1.556 9.587 3.176 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -1.124 6.957 4.580 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -2.532 8.000 4.606 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -2.431 5.780 3.033 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.327 7.206 2.548 1.00 0.00 H new ATOM 979 N SER A 65 1.985 8.159 1.600 1.00 0.00 N ATOM 980 CA SER A 65 3.370 7.716 1.713 1.00 0.00 C ATOM 981 C SER A 65 3.971 8.149 3.047 1.00 0.00 C ATOM 982 O SER A 65 4.681 7.384 3.697 1.00 0.00 O ATOM 983 CB SER A 65 4.203 8.277 0.559 1.00 0.00 C ATOM 984 OG SER A 65 4.146 9.693 0.530 1.00 0.00 O ATOM 0 H SER A 65 1.846 8.952 0.974 1.00 0.00 H new ATOM 0 HA SER A 65 3.383 6.627 1.665 1.00 0.00 H new ATOM 0 HB2 SER A 65 5.239 7.954 0.663 1.00 0.00 H new ATOM 0 HB3 SER A 65 3.837 7.876 -0.386 1.00 0.00 H new ATOM 0 HG SER A 65 3.316 9.978 0.093 1.00 0.00 H new ATOM 990 N ASN A 66 3.680 9.383 3.447 1.00 0.00 N ATOM 991 CA ASN A 66 4.192 9.920 4.703 1.00 0.00 C ATOM 992 C ASN A 66 3.787 9.035 5.878 1.00 0.00 C ATOM 993 O ASN A 66 4.307 9.178 6.984 1.00 0.00 O ATOM 994 CB ASN A 66 3.677 11.344 4.920 1.00 0.00 C ATOM 995 CG ASN A 66 3.996 12.259 3.754 1.00 0.00 C ATOM 996 OD1 ASN A 66 3.295 12.262 2.742 1.00 0.00 O ATOM 997 ND2 ASN A 66 5.060 13.042 3.891 1.00 0.00 N ATOM 0 H ASN A 66 3.093 10.029 2.920 1.00 0.00 H new ATOM 0 HA ASN A 66 5.280 9.940 4.645 1.00 0.00 H new ATOM 0 HB2 ASN A 66 2.598 11.318 5.073 1.00 0.00 H new ATOM 0 HB3 ASN A 66 4.118 11.752 5.830 1.00 0.00 H new ATOM 0 HD21 ASN A 66 5.325 13.679 3.140 1.00 0.00 H new ATOM 0 HD22 ASN A 66 5.612 13.006 4.748 1.00 0.00 H new ATOM 1004 N TYR A 67 2.855 8.121 5.629 1.00 0.00 N ATOM 1005 CA TYR A 67 2.378 7.214 6.667 1.00 0.00 C ATOM 1006 C TYR A 67 3.212 5.937 6.698 1.00 0.00 C ATOM 1007 O TYR A 67 3.353 5.299 7.742 1.00 0.00 O ATOM 1008 CB TYR A 67 0.906 6.871 6.436 1.00 0.00 C ATOM 1009 CG TYR A 67 -0.052 7.852 7.071 1.00 0.00 C ATOM 1010 CD1 TYR A 67 0.026 9.211 6.789 1.00 0.00 C ATOM 1011 CD2 TYR A 67 -1.034 7.422 7.955 1.00 0.00 C ATOM 1012 CE1 TYR A 67 -0.847 10.112 7.368 1.00 0.00 C ATOM 1013 CE2 TYR A 67 -1.912 8.316 8.537 1.00 0.00 C ATOM 1014 CZ TYR A 67 -1.814 9.659 8.241 1.00 0.00 C ATOM 1015 OH TYR A 67 -2.686 10.553 8.820 1.00 0.00 O ATOM 0 H TYR A 67 2.415 7.989 4.718 1.00 0.00 H new ATOM 0 HA TYR A 67 2.480 7.716 7.629 1.00 0.00 H new ATOM 0 HB2 TYR A 67 0.715 6.832 5.364 1.00 0.00 H new ATOM 0 HB3 TYR A 67 0.708 5.875 6.831 1.00 0.00 H new ATOM 0 HD1 TYR A 67 0.782 9.569 6.106 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.112 6.371 8.191 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -0.773 11.165 7.138 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -2.671 7.965 9.220 1.00 0.00 H new ATOM 0 HH TYR A 67 -3.305 10.072 9.408 1.00 0.00 H new ATOM 1025 N VAL A 68 3.763 5.569 5.546 1.00 0.00 N ATOM 1026 CA VAL A 68 4.585 4.369 5.440 1.00 0.00 C ATOM 1027 C VAL A 68 6.052 4.724 5.232 1.00 0.00 C ATOM 1028 O VAL A 68 6.416 5.899 5.182 1.00 0.00 O ATOM 1029 CB VAL A 68 4.116 3.468 4.282 1.00 0.00 C ATOM 1030 CG1 VAL A 68 2.647 3.109 4.445 1.00 0.00 C ATOM 1031 CG2 VAL A 68 4.361 4.151 2.945 1.00 0.00 C ATOM 0 H VAL A 68 3.655 6.085 4.673 1.00 0.00 H new ATOM 0 HA VAL A 68 4.476 3.827 6.379 1.00 0.00 H new ATOM 0 HB VAL A 68 4.695 2.545 4.305 1.00 0.00 H new ATOM 0 HG11 VAL A 68 2.334 2.472 3.618 1.00 0.00 H new ATOM 0 HG12 VAL A 68 2.505 2.577 5.386 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.048 4.020 4.449 1.00 0.00 H new ATOM 0 HG21 VAL A 68 4.024 3.501 2.137 1.00 0.00 H new ATOM 0 HG22 VAL A 68 3.809 5.090 2.910 1.00 0.00 H new ATOM 0 HG23 VAL A 68 5.426 4.352 2.829 1.00 0.00 H new ATOM 1041 N ALA A 69 6.891 3.701 5.109 1.00 0.00 N ATOM 1042 CA ALA A 69 8.320 3.905 4.903 1.00 0.00 C ATOM 1043 C ALA A 69 8.991 2.627 4.411 1.00 0.00 C ATOM 1044 O ALA A 69 8.625 1.526 4.819 1.00 0.00 O ATOM 1045 CB ALA A 69 8.975 4.386 6.189 1.00 0.00 C ATOM 0 H ALA A 69 6.606 2.722 5.148 1.00 0.00 H new ATOM 0 HA ALA A 69 8.446 4.669 4.136 1.00 0.00 H new ATOM 0 HB1 ALA A 69 10.042 4.534 6.021 1.00 0.00 H new ATOM 0 HB2 ALA A 69 8.522 5.328 6.498 1.00 0.00 H new ATOM 0 HB3 ALA A 69 8.831 3.641 6.971 1.00 0.00 H new ATOM 1051 N GLU A 70 9.976 2.783 3.531 1.00 0.00 N ATOM 1052 CA GLU A 70 10.697 1.640 2.982 1.00 0.00 C ATOM 1053 C GLU A 70 11.386 0.849 4.090 1.00 0.00 C ATOM 1054 O GLU A 70 12.149 1.404 4.881 1.00 0.00 O ATOM 1055 CB GLU A 70 11.730 2.106 1.955 1.00 0.00 C ATOM 1056 CG GLU A 70 12.919 2.824 2.570 1.00 0.00 C ATOM 1057 CD GLU A 70 13.786 3.511 1.532 1.00 0.00 C ATOM 1058 OE1 GLU A 70 13.490 4.674 1.187 1.00 0.00 O ATOM 1059 OE2 GLU A 70 14.761 2.885 1.066 1.00 0.00 O ATOM 0 H GLU A 70 10.292 3.688 3.184 1.00 0.00 H new ATOM 0 HA GLU A 70 9.974 0.989 2.490 1.00 0.00 H new ATOM 0 HB2 GLU A 70 12.088 1.242 1.395 1.00 0.00 H new ATOM 0 HB3 GLU A 70 11.245 2.771 1.240 1.00 0.00 H new ATOM 0 HG2 GLU A 70 12.561 3.564 3.286 1.00 0.00 H new ATOM 0 HG3 GLU A 70 13.523 2.108 3.126 1.00 0.00 H new ATOM 1066 N ASP A 71 11.112 -0.450 4.141 1.00 0.00 N ATOM 1067 CA ASP A 71 11.705 -1.318 5.151 1.00 0.00 C ATOM 1068 C ASP A 71 12.980 -1.971 4.625 1.00 0.00 C ATOM 1069 O ASP A 71 13.138 -2.165 3.420 1.00 0.00 O ATOM 1070 CB ASP A 71 10.706 -2.394 5.580 1.00 0.00 C ATOM 1071 CG ASP A 71 11.179 -3.172 6.792 1.00 0.00 C ATOM 1072 OD1 ASP A 71 12.251 -3.808 6.708 1.00 0.00 O ATOM 1073 OD2 ASP A 71 10.478 -3.145 7.825 1.00 0.00 O ATOM 0 H ASP A 71 10.483 -0.925 3.494 1.00 0.00 H new ATOM 0 HA ASP A 71 11.961 -0.706 6.016 1.00 0.00 H new ATOM 0 HB2 ASP A 71 9.747 -1.927 5.803 1.00 0.00 H new ATOM 0 HB3 ASP A 71 10.540 -3.083 4.752 1.00 0.00 H new