USER MOD reduce.3.24.130724 H: found=0, std=0, add=394, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 337 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 17 THR OG1 : rot 180:sc= 0.0139 USER MOD Set 1.2: A 33 ASN : amide:sc= -1.62 K(o=-1.6,f=-3.6!) USER MOD Single : A 1 LEU N :NH3+ 163:sc= 0.0203 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 158:sc= -3.35! USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -1.51 X(o=-1.5,f=-1.7!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 140:sc= 0 USER MOD Single : A 31 TYR OH : rot 175:sc= -3.43! USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -0.0988 X(o=-0.099,f=0) USER MOD Single : A 39 ASN : amide:sc= -0.351 X(o=-0.35,f=-0.069) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.317 K(o=-0.32,f=-2.3!) USER MOD Single : A 47 THR OG1 : rot -98:sc= 1.07 USER MOD Single : A 49 THR OG1 : rot 180:sc=-0.000135 USER MOD Single : A 51 SER OG : rot 180:sc= -0.53 USER MOD Single : A 52 HIS : no HE2:sc= -0.0939 K(o=-0.094,f=-1.5!) USER MOD Single : A 55 LYS NZ :NH3+ -159:sc= -0.063 (180deg=-0.62) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -16.667 10.249 3.587 1.00 0.00 N ATOM 2 CA LEU A 1 -17.086 8.939 3.120 1.00 0.00 C ATOM 3 C LEU A 1 -16.106 8.445 2.053 1.00 0.00 C ATOM 4 O LEU A 1 -15.338 9.230 1.500 1.00 0.00 O ATOM 5 CB LEU A 1 -18.541 8.979 2.647 1.00 0.00 C ATOM 6 CG LEU A 1 -19.504 8.027 3.359 1.00 0.00 C ATOM 7 CD1 LEU A 1 -20.115 8.689 4.597 1.00 0.00 C ATOM 8 CD2 LEU A 1 -20.576 7.510 2.398 1.00 0.00 C ATOM 0 H1 LEU A 1 -17.457 10.710 4.082 1.00 0.00 H new ATOM 0 H2 LEU A 1 -15.864 10.144 4.239 1.00 0.00 H new ATOM 0 H3 LEU A 1 -16.380 10.832 2.775 1.00 0.00 H new ATOM 0 HA LEU A 1 -17.060 8.217 3.936 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -18.913 9.997 2.766 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -18.562 8.755 1.581 1.00 0.00 H new ATOM 0 HG LEU A 1 -18.936 7.162 3.703 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -20.796 7.991 5.084 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -19.321 8.966 5.291 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -20.664 9.582 4.298 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -21.247 6.836 2.930 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -21.146 8.351 2.002 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -20.100 6.975 1.576 1.00 0.00 H new ATOM 19 N ALA A 2 -16.165 7.147 1.796 1.00 0.00 N ATOM 20 CA ALA A 2 -15.293 6.539 0.806 1.00 0.00 C ATOM 21 C ALA A 2 -13.841 6.647 1.276 1.00 0.00 C ATOM 22 O ALA A 2 -13.568 7.218 2.330 1.00 0.00 O ATOM 23 CB ALA A 2 -15.518 7.209 -0.552 1.00 0.00 C ATOM 0 H ALA A 2 -16.804 6.499 2.257 1.00 0.00 H new ATOM 0 HA ALA A 2 -15.524 5.480 0.690 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -14.864 6.753 -1.295 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -16.557 7.079 -0.854 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -15.293 8.273 -0.475 1.00 0.00 H new ATOM 29 N ALA A 3 -12.949 6.089 0.472 1.00 0.00 N ATOM 30 CA ALA A 3 -11.533 6.115 0.793 1.00 0.00 C ATOM 31 C ALA A 3 -11.280 5.263 2.038 1.00 0.00 C ATOM 32 O ALA A 3 -12.085 5.264 2.968 1.00 0.00 O ATOM 33 CB ALA A 3 -11.076 7.564 0.975 1.00 0.00 C ATOM 0 H ALA A 3 -13.180 5.616 -0.402 1.00 0.00 H new ATOM 0 HA ALA A 3 -10.948 5.689 -0.022 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -10.013 7.583 1.216 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -11.249 8.119 0.053 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -11.640 8.024 1.786 1.00 0.00 H new ATOM 39 N VAL A 4 -10.160 4.556 2.016 1.00 0.00 N ATOM 40 CA VAL A 4 -9.792 3.702 3.133 1.00 0.00 C ATOM 41 C VAL A 4 -8.308 3.898 3.451 1.00 0.00 C ATOM 42 O VAL A 4 -7.595 4.574 2.713 1.00 0.00 O ATOM 43 CB VAL A 4 -10.149 2.248 2.818 1.00 0.00 C ATOM 44 CG1 VAL A 4 -9.271 1.699 1.691 1.00 0.00 C ATOM 45 CG2 VAL A 4 -10.043 1.374 4.070 1.00 0.00 C ATOM 0 H VAL A 4 -9.495 4.557 1.243 1.00 0.00 H new ATOM 0 HA VAL A 4 -10.355 3.975 4.026 1.00 0.00 H new ATOM 0 HB VAL A 4 -11.184 2.224 2.478 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -9.546 0.664 1.487 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -9.417 2.297 0.792 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -8.224 1.744 1.991 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -10.302 0.345 3.819 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -9.023 1.408 4.452 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -10.729 1.745 4.832 1.00 0.00 H new ATOM 55 N SER A 5 -7.889 3.294 4.554 1.00 0.00 N ATOM 56 CA SER A 5 -6.502 3.393 4.980 1.00 0.00 C ATOM 57 C SER A 5 -5.933 1.997 5.239 1.00 0.00 C ATOM 58 O SER A 5 -6.574 1.173 5.888 1.00 0.00 O ATOM 59 CB SER A 5 -6.373 4.260 6.233 1.00 0.00 C ATOM 60 OG SER A 5 -5.116 4.928 6.293 1.00 0.00 O ATOM 0 H SER A 5 -8.484 2.735 5.165 1.00 0.00 H new ATOM 0 HA SER A 5 -5.931 3.868 4.182 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.176 4.997 6.248 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.495 3.637 7.119 1.00 0.00 H new ATOM 0 HG SER A 5 -5.073 5.473 7.107 1.00 0.00 H new ATOM 65 N VAL A 6 -4.736 1.775 4.718 1.00 0.00 N ATOM 66 CA VAL A 6 -4.072 0.493 4.884 1.00 0.00 C ATOM 67 C VAL A 6 -3.087 0.582 6.051 1.00 0.00 C ATOM 68 O VAL A 6 -2.461 1.619 6.262 1.00 0.00 O ATOM 69 CB VAL A 6 -3.409 0.073 3.571 1.00 0.00 C ATOM 70 CG1 VAL A 6 -2.551 -1.179 3.767 1.00 0.00 C ATOM 71 CG2 VAL A 6 -4.453 -0.145 2.474 1.00 0.00 C ATOM 0 H VAL A 6 -4.208 2.462 4.180 1.00 0.00 H new ATOM 0 HA VAL A 6 -4.796 -0.284 5.129 1.00 0.00 H new ATOM 0 HB VAL A 6 -2.753 0.883 3.253 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -2.091 -1.457 2.819 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -1.773 -0.975 4.502 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -3.178 -1.998 4.120 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -3.955 -0.443 1.551 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -5.146 -0.928 2.781 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -5.003 0.781 2.306 1.00 0.00 H new ATOM 81 N ASP A 7 -2.978 -0.521 6.777 1.00 0.00 N ATOM 82 CA ASP A 7 -2.079 -0.581 7.917 1.00 0.00 C ATOM 83 C ASP A 7 -0.634 -0.474 7.427 1.00 0.00 C ATOM 84 O ASP A 7 -0.171 -1.316 6.657 1.00 0.00 O ATOM 85 CB ASP A 7 -2.227 -1.906 8.666 1.00 0.00 C ATOM 86 CG ASP A 7 -1.251 -2.106 9.828 1.00 0.00 C ATOM 87 OD1 ASP A 7 -0.473 -1.203 10.170 1.00 0.00 O ATOM 88 OD2 ASP A 7 -1.311 -3.261 10.399 1.00 0.00 O ATOM 0 H ASP A 7 -3.497 -1.380 6.598 1.00 0.00 H new ATOM 0 HA ASP A 7 -2.329 0.242 8.587 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -3.245 -1.977 9.050 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -2.096 -2.723 7.957 1.00 0.00 H new ATOM 93 N CYS A 8 0.040 0.567 7.892 1.00 0.00 N ATOM 94 CA CYS A 8 1.423 0.796 7.511 1.00 0.00 C ATOM 95 C CYS A 8 2.089 1.639 8.599 1.00 0.00 C ATOM 96 O CYS A 8 2.938 2.480 8.306 1.00 0.00 O ATOM 97 CB CYS A 8 1.529 1.454 6.134 1.00 0.00 C ATOM 98 SG CYS A 8 0.504 0.680 4.831 1.00 0.00 S ATOM 0 H CYS A 8 -0.347 1.262 8.530 1.00 0.00 H new ATOM 0 HA CYS A 8 1.941 -0.159 7.426 1.00 0.00 H new ATOM 0 HB2 CYS A 8 1.245 2.502 6.225 1.00 0.00 H new ATOM 0 HB3 CYS A 8 2.572 1.433 5.816 1.00 0.00 H new ATOM 102 N SER A 9 1.680 1.385 9.834 1.00 0.00 N ATOM 103 CA SER A 9 2.225 2.110 10.968 1.00 0.00 C ATOM 104 C SER A 9 3.262 1.247 11.691 1.00 0.00 C ATOM 105 O SER A 9 3.304 1.221 12.920 1.00 0.00 O ATOM 106 CB SER A 9 1.119 2.534 11.936 1.00 0.00 C ATOM 107 OG SER A 9 0.365 1.419 12.405 1.00 0.00 O ATOM 0 H SER A 9 0.977 0.686 10.073 1.00 0.00 H new ATOM 0 HA SER A 9 2.709 3.013 10.595 1.00 0.00 H new ATOM 0 HB2 SER A 9 1.560 3.056 12.785 1.00 0.00 H new ATOM 0 HB3 SER A 9 0.453 3.239 11.439 1.00 0.00 H new ATOM 0 HG SER A 9 -0.330 1.730 13.022 1.00 0.00 H new ATOM 112 N GLU A 10 4.072 0.562 10.898 1.00 0.00 N ATOM 113 CA GLU A 10 5.105 -0.300 11.447 1.00 0.00 C ATOM 114 C GLU A 10 6.171 -0.592 10.389 1.00 0.00 C ATOM 115 O GLU A 10 6.831 -1.629 10.436 1.00 0.00 O ATOM 116 CB GLU A 10 4.504 -1.596 11.992 1.00 0.00 C ATOM 117 CG GLU A 10 3.769 -2.365 10.892 1.00 0.00 C ATOM 118 CD GLU A 10 2.483 -1.642 10.483 1.00 0.00 C ATOM 119 OE1 GLU A 10 2.406 -1.097 9.373 1.00 0.00 O ATOM 120 OE2 GLU A 10 1.544 -1.660 11.367 1.00 0.00 O ATOM 0 H GLU A 10 4.034 0.586 9.879 1.00 0.00 H new ATOM 0 HA GLU A 10 5.580 0.220 12.279 1.00 0.00 H new ATOM 0 HB2 GLU A 10 5.294 -2.219 12.411 1.00 0.00 H new ATOM 0 HB3 GLU A 10 3.814 -1.368 12.804 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.419 -2.477 10.024 1.00 0.00 H new ATOM 0 HG3 GLU A 10 3.530 -3.369 11.243 1.00 0.00 H new ATOM 126 N TYR A 11 6.307 0.342 9.459 1.00 0.00 N ATOM 127 CA TYR A 11 7.281 0.199 8.390 1.00 0.00 C ATOM 128 C TYR A 11 8.479 1.124 8.612 1.00 0.00 C ATOM 129 O TYR A 11 8.385 2.099 9.356 1.00 0.00 O ATOM 130 CB TYR A 11 6.563 0.613 7.105 1.00 0.00 C ATOM 131 CG TYR A 11 6.403 -0.519 6.088 1.00 0.00 C ATOM 132 CD1 TYR A 11 5.466 -1.510 6.300 1.00 0.00 C ATOM 133 CD2 TYR A 11 7.197 -0.549 4.959 1.00 0.00 C ATOM 134 CE1 TYR A 11 5.316 -2.575 5.343 1.00 0.00 C ATOM 135 CE2 TYR A 11 7.045 -1.614 4.002 1.00 0.00 C ATOM 136 CZ TYR A 11 6.113 -2.574 4.241 1.00 0.00 C ATOM 137 OH TYR A 11 5.972 -3.581 3.337 1.00 0.00 O ATOM 0 H TYR A 11 5.759 1.201 9.424 1.00 0.00 H new ATOM 0 HA TYR A 11 7.656 -0.824 8.348 1.00 0.00 H new ATOM 0 HB2 TYR A 11 5.577 1.000 7.361 1.00 0.00 H new ATOM 0 HB3 TYR A 11 7.115 1.430 6.640 1.00 0.00 H new ATOM 0 HD1 TYR A 11 4.845 -1.487 7.184 1.00 0.00 H new ATOM 0 HD2 TYR A 11 7.931 0.226 4.794 1.00 0.00 H new ATOM 0 HE1 TYR A 11 4.587 -3.357 5.497 1.00 0.00 H new ATOM 0 HE2 TYR A 11 7.658 -1.649 3.114 1.00 0.00 H new ATOM 0 HH TYR A 11 6.321 -3.292 2.468 1.00 0.00 H new ATOM 146 N PRO A 12 9.607 0.776 7.937 1.00 0.00 N ATOM 147 CA PRO A 12 9.633 -0.395 7.077 1.00 0.00 C ATOM 148 C PRO A 12 9.692 -1.681 7.903 1.00 0.00 C ATOM 149 O PRO A 12 10.246 -1.693 9.002 1.00 0.00 O ATOM 150 CB PRO A 12 10.853 -0.204 6.189 1.00 0.00 C ATOM 151 CG PRO A 12 11.723 0.826 6.892 1.00 0.00 C ATOM 152 CD PRO A 12 10.882 1.487 7.973 1.00 0.00 C ATOM 0 HA PRO A 12 8.730 -0.495 6.475 1.00 0.00 H new ATOM 0 HB2 PRO A 12 11.390 -1.143 6.056 1.00 0.00 H new ATOM 0 HB3 PRO A 12 10.564 0.141 5.196 1.00 0.00 H new ATOM 0 HG2 PRO A 12 12.601 0.350 7.329 1.00 0.00 H new ATOM 0 HG3 PRO A 12 12.084 1.569 6.181 1.00 0.00 H new ATOM 0 HD2 PRO A 12 11.356 1.401 8.951 1.00 0.00 H new ATOM 0 HD3 PRO A 12 10.748 2.551 7.776 1.00 0.00 H new ATOM 157 N LYS A 13 9.111 -2.732 7.345 1.00 0.00 N ATOM 158 CA LYS A 13 9.088 -4.021 8.016 1.00 0.00 C ATOM 159 C LYS A 13 9.824 -5.051 7.157 1.00 0.00 C ATOM 160 O LYS A 13 9.810 -4.965 5.930 1.00 0.00 O ATOM 161 CB LYS A 13 7.653 -4.420 8.362 1.00 0.00 C ATOM 162 CG LYS A 13 6.865 -4.779 7.100 1.00 0.00 C ATOM 163 CD LYS A 13 5.386 -4.999 7.422 1.00 0.00 C ATOM 164 CE LYS A 13 4.715 -5.865 6.354 1.00 0.00 C ATOM 165 NZ LYS A 13 3.314 -6.160 6.730 1.00 0.00 N ATOM 0 H LYS A 13 8.652 -2.718 6.434 1.00 0.00 H new ATOM 0 HA LYS A 13 9.616 -3.964 8.968 1.00 0.00 H new ATOM 0 HB2 LYS A 13 7.662 -5.271 9.044 1.00 0.00 H new ATOM 0 HB3 LYS A 13 7.159 -3.600 8.883 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.966 -3.981 6.364 1.00 0.00 H new ATOM 0 HG3 LYS A 13 7.281 -5.681 6.651 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.290 -5.478 8.397 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.877 -4.037 7.488 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.739 -5.351 5.393 1.00 0.00 H new ATOM 0 HE3 LYS A 13 5.269 -6.796 6.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 2.874 -6.749 5.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.298 -6.669 7.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 2.785 -5.270 6.824 1.00 0.00 H new ATOM 175 N ASP A 14 10.449 -6.002 7.836 1.00 0.00 N ATOM 176 CA ASP A 14 11.188 -7.048 7.150 1.00 0.00 C ATOM 177 C ASP A 14 10.208 -8.097 6.620 1.00 0.00 C ATOM 178 O ASP A 14 10.145 -8.340 5.416 1.00 0.00 O ATOM 179 CB ASP A 14 12.161 -7.749 8.101 1.00 0.00 C ATOM 180 CG ASP A 14 13.003 -6.812 8.970 1.00 0.00 C ATOM 181 OD1 ASP A 14 13.416 -5.730 8.528 1.00 0.00 O ATOM 182 OD2 ASP A 14 13.237 -7.240 10.165 1.00 0.00 O ATOM 0 H ASP A 14 10.459 -6.070 8.854 1.00 0.00 H new ATOM 0 HA ASP A 14 11.747 -6.587 6.336 1.00 0.00 H new ATOM 0 HB2 ASP A 14 11.593 -8.413 8.753 1.00 0.00 H new ATOM 0 HB3 ASP A 14 12.832 -8.376 7.513 1.00 0.00 H new ATOM 187 N ALA A 15 9.467 -8.688 7.546 1.00 0.00 N ATOM 188 CA ALA A 15 8.493 -9.705 7.186 1.00 0.00 C ATOM 189 C ALA A 15 7.400 -9.075 6.320 1.00 0.00 C ATOM 190 O ALA A 15 7.279 -7.852 6.260 1.00 0.00 O ATOM 191 CB ALA A 15 7.931 -10.346 8.458 1.00 0.00 C ATOM 0 H ALA A 15 9.521 -8.483 8.544 1.00 0.00 H new ATOM 0 HA ALA A 15 8.962 -10.496 6.601 1.00 0.00 H new ATOM 0 HB1 ALA A 15 7.200 -11.109 8.189 1.00 0.00 H new ATOM 0 HB2 ALA A 15 8.742 -10.804 9.024 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.450 -9.582 9.068 1.00 0.00 H new ATOM 197 N CYS A 16 6.634 -9.938 5.669 1.00 0.00 N ATOM 198 CA CYS A 16 5.556 -9.481 4.808 1.00 0.00 C ATOM 199 C CYS A 16 4.718 -10.695 4.402 1.00 0.00 C ATOM 200 O CYS A 16 5.048 -11.827 4.754 1.00 0.00 O ATOM 201 CB CYS A 16 6.088 -8.721 3.592 1.00 0.00 C ATOM 202 SG CYS A 16 6.174 -6.905 3.799 1.00 0.00 S ATOM 0 H CYS A 16 6.738 -10.951 5.720 1.00 0.00 H new ATOM 0 HA CYS A 16 4.929 -8.773 5.350 1.00 0.00 H new ATOM 0 HB2 CYS A 16 7.085 -9.093 3.356 1.00 0.00 H new ATOM 0 HB3 CYS A 16 5.453 -8.945 2.735 1.00 0.00 H new ATOM 206 N THR A 17 3.651 -10.418 3.668 1.00 0.00 N ATOM 207 CA THR A 17 2.764 -11.474 3.209 1.00 0.00 C ATOM 208 C THR A 17 3.096 -11.861 1.768 1.00 0.00 C ATOM 209 O THR A 17 3.790 -11.126 1.067 1.00 0.00 O ATOM 210 CB THR A 17 1.323 -10.994 3.394 1.00 0.00 C ATOM 211 OG1 THR A 17 1.263 -9.782 2.645 1.00 0.00 O ATOM 212 CG2 THR A 17 1.030 -10.559 4.830 1.00 0.00 C ATOM 0 H THR A 17 3.380 -9.478 3.379 1.00 0.00 H new ATOM 0 HA THR A 17 2.896 -12.384 3.794 1.00 0.00 H new ATOM 0 HB THR A 17 0.636 -11.791 3.109 1.00 0.00 H new ATOM 0 HG1 THR A 17 0.362 -9.403 2.708 1.00 0.00 H new ATOM 0 HG21 THR A 17 -0.006 -10.228 4.906 1.00 0.00 H new ATOM 0 HG22 THR A 17 1.193 -11.399 5.505 1.00 0.00 H new ATOM 0 HG23 THR A 17 1.694 -9.739 5.105 1.00 0.00 H new ATOM 220 N LEU A 18 2.584 -13.016 1.366 1.00 0.00 N ATOM 221 CA LEU A 18 2.817 -13.510 0.019 1.00 0.00 C ATOM 222 C LEU A 18 1.582 -13.237 -0.841 1.00 0.00 C ATOM 223 O LEU A 18 1.684 -13.122 -2.061 1.00 0.00 O ATOM 224 CB LEU A 18 3.231 -14.983 0.053 1.00 0.00 C ATOM 225 CG LEU A 18 4.679 -15.283 -0.338 1.00 0.00 C ATOM 226 CD1 LEU A 18 5.460 -15.851 0.849 1.00 0.00 C ATOM 227 CD2 LEU A 18 4.738 -16.205 -1.557 1.00 0.00 C ATOM 0 H LEU A 18 2.009 -13.624 1.950 1.00 0.00 H new ATOM 0 HA LEU A 18 3.650 -12.980 -0.443 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.061 -15.364 1.060 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.573 -15.540 -0.614 1.00 0.00 H new ATOM 0 HG LEU A 18 5.158 -14.346 -0.620 1.00 0.00 H new ATOM 0 HD11 LEU A 18 6.486 -16.056 0.545 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.461 -15.127 1.664 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.990 -16.775 1.185 1.00 0.00 H new ATOM 0 HD21 LEU A 18 5.779 -16.402 -1.814 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.237 -17.145 -1.327 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.241 -15.726 -2.400 1.00 0.00 H new ATOM 238 N GLU A 19 0.443 -13.140 -0.171 1.00 0.00 N ATOM 239 CA GLU A 19 -0.810 -12.883 -0.858 1.00 0.00 C ATOM 240 C GLU A 19 -0.679 -11.653 -1.759 1.00 0.00 C ATOM 241 O GLU A 19 -0.168 -10.618 -1.332 1.00 0.00 O ATOM 242 CB GLU A 19 -1.958 -12.712 0.139 1.00 0.00 C ATOM 243 CG GLU A 19 -2.871 -13.940 0.141 1.00 0.00 C ATOM 244 CD GLU A 19 -2.102 -15.193 0.567 1.00 0.00 C ATOM 245 OE1 GLU A 19 -0.968 -15.088 1.055 1.00 0.00 O ATOM 246 OE2 GLU A 19 -2.726 -16.306 0.376 1.00 0.00 O ATOM 0 H GLU A 19 0.362 -13.235 0.841 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.041 -13.745 -1.484 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -1.555 -12.553 1.139 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -2.537 -11.825 -0.116 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -3.708 -13.774 0.819 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.291 -14.087 -0.854 1.00 0.00 H new ATOM 252 N TYR A 20 -1.149 -11.805 -2.988 1.00 0.00 N ATOM 253 CA TYR A 20 -1.090 -10.719 -3.952 1.00 0.00 C ATOM 254 C TYR A 20 -2.341 -9.842 -3.866 1.00 0.00 C ATOM 255 O TYR A 20 -3.460 -10.337 -3.987 1.00 0.00 O ATOM 256 CB TYR A 20 -1.039 -11.381 -5.330 1.00 0.00 C ATOM 257 CG TYR A 20 -0.385 -10.519 -6.411 1.00 0.00 C ATOM 258 CD1 TYR A 20 -0.771 -9.204 -6.572 1.00 0.00 C ATOM 259 CD2 TYR A 20 0.591 -11.056 -7.226 1.00 0.00 C ATOM 260 CE1 TYR A 20 -0.156 -8.392 -7.589 1.00 0.00 C ATOM 261 CE2 TYR A 20 1.207 -10.244 -8.243 1.00 0.00 C ATOM 262 CZ TYR A 20 0.803 -8.952 -8.375 1.00 0.00 C ATOM 263 OH TYR A 20 1.385 -8.185 -9.336 1.00 0.00 O ATOM 0 H TYR A 20 -1.573 -12.664 -3.339 1.00 0.00 H new ATOM 0 HA TYR A 20 -0.226 -10.083 -3.762 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -0.493 -12.321 -5.250 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -2.054 -11.627 -5.641 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -1.535 -8.784 -5.935 1.00 0.00 H new ATOM 0 HD2 TYR A 20 0.893 -12.085 -7.101 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -0.449 -7.362 -7.725 1.00 0.00 H new ATOM 0 HE2 TYR A 20 1.973 -10.652 -8.887 1.00 0.00 H new ATOM 0 HH TYR A 20 2.052 -8.716 -9.819 1.00 0.00 H new ATOM 272 N ARG A 21 -2.108 -8.554 -3.659 1.00 0.00 N ATOM 273 CA ARG A 21 -3.202 -7.604 -3.556 1.00 0.00 C ATOM 274 C ARG A 21 -2.821 -6.281 -4.223 1.00 0.00 C ATOM 275 O ARG A 21 -2.163 -5.441 -3.613 1.00 0.00 O ATOM 276 CB ARG A 21 -3.568 -7.342 -2.093 1.00 0.00 C ATOM 277 CG ARG A 21 -4.069 -8.619 -1.416 1.00 0.00 C ATOM 278 CD ARG A 21 -5.540 -8.876 -1.748 1.00 0.00 C ATOM 279 NE ARG A 21 -5.734 -10.295 -2.120 1.00 0.00 N ATOM 280 CZ ARG A 21 -6.917 -10.924 -2.092 1.00 0.00 C ATOM 281 NH1 ARG A 21 -8.019 -10.263 -1.712 1.00 0.00 N ATOM 282 NH2 ARG A 21 -6.999 -12.214 -2.447 1.00 0.00 N ATOM 0 H ARG A 21 -1.178 -8.147 -3.560 1.00 0.00 H new ATOM 0 HA ARG A 21 -4.065 -8.036 -4.063 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -2.697 -6.961 -1.559 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -4.337 -6.572 -2.039 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -3.466 -9.467 -1.740 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -3.946 -8.535 -0.336 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -6.164 -8.628 -0.889 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -5.855 -8.230 -2.568 1.00 0.00 H new ATOM 0 HE ARG A 21 -4.916 -10.828 -2.416 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -7.958 -9.281 -1.444 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -8.919 -10.742 -1.691 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -6.161 -12.717 -2.738 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -7.899 -12.693 -2.426 1.00 0.00 H new ATOM 293 N PRO A 22 -3.262 -6.135 -5.502 1.00 0.00 N ATOM 294 CA PRO A 22 -2.973 -4.928 -6.260 1.00 0.00 C ATOM 295 C PRO A 22 -3.847 -3.764 -5.788 1.00 0.00 C ATOM 296 O PRO A 22 -5.061 -3.905 -5.662 1.00 0.00 O ATOM 297 CB PRO A 22 -3.220 -5.308 -7.710 1.00 0.00 C ATOM 298 CG PRO A 22 -4.080 -6.561 -7.673 1.00 0.00 C ATOM 299 CD PRO A 22 -4.043 -7.110 -6.257 1.00 0.00 C ATOM 0 HA PRO A 22 -1.950 -4.578 -6.123 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -3.725 -4.503 -8.244 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -2.280 -5.495 -8.230 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -5.104 -6.330 -7.966 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -3.706 -7.302 -8.380 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -5.047 -7.216 -5.847 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -3.581 -8.097 -6.227 1.00 0.00 H new ATOM 304 N LEU A 23 -3.192 -2.638 -5.543 1.00 0.00 N ATOM 305 CA LEU A 23 -3.893 -1.449 -5.089 1.00 0.00 C ATOM 306 C LEU A 23 -3.273 -0.214 -5.746 1.00 0.00 C ATOM 307 O LEU A 23 -2.187 -0.291 -6.320 1.00 0.00 O ATOM 308 CB LEU A 23 -3.911 -1.388 -3.561 1.00 0.00 C ATOM 309 CG LEU A 23 -3.082 -2.452 -2.837 1.00 0.00 C ATOM 310 CD1 LEU A 23 -1.589 -2.264 -3.112 1.00 0.00 C ATOM 311 CD2 LEU A 23 -3.393 -2.465 -1.339 1.00 0.00 C ATOM 0 H LEU A 23 -2.184 -2.524 -5.650 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.938 -1.483 -5.396 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.554 -0.405 -3.252 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.945 -1.471 -3.226 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.361 -3.429 -3.231 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.023 -3.033 -2.586 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.403 -2.345 -4.183 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.276 -1.280 -2.763 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.791 -3.230 -0.849 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.160 -1.490 -0.911 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.450 -2.684 -1.189 1.00 0.00 H new ATOM 322 N CYS A 24 -3.989 0.895 -5.640 1.00 0.00 N ATOM 323 CA CYS A 24 -3.522 2.145 -6.218 1.00 0.00 C ATOM 324 C CYS A 24 -3.406 3.178 -5.096 1.00 0.00 C ATOM 325 O CYS A 24 -4.254 3.232 -4.205 1.00 0.00 O ATOM 326 CB CYS A 24 -4.441 2.625 -7.343 1.00 0.00 C ATOM 327 SG CYS A 24 -3.952 4.216 -8.106 1.00 0.00 S ATOM 0 H CYS A 24 -4.889 0.955 -5.163 1.00 0.00 H new ATOM 0 HA CYS A 24 -2.544 1.995 -6.675 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -4.472 1.860 -8.119 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -5.453 2.722 -6.950 1.00 0.00 H new ATOM 331 N GLY A 25 -2.348 3.973 -5.174 1.00 0.00 N ATOM 332 CA GLY A 25 -2.110 5.001 -4.176 1.00 0.00 C ATOM 333 C GLY A 25 -2.728 6.334 -4.603 1.00 0.00 C ATOM 334 O GLY A 25 -3.337 6.426 -5.667 1.00 0.00 O ATOM 0 H GLY A 25 -1.647 3.925 -5.913 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -2.532 4.690 -3.221 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -1.038 5.125 -4.025 1.00 0.00 H new ATOM 338 N SER A 26 -2.550 7.333 -3.750 1.00 0.00 N ATOM 339 CA SER A 26 -3.083 8.656 -4.026 1.00 0.00 C ATOM 340 C SER A 26 -2.238 9.347 -5.099 1.00 0.00 C ATOM 341 O SER A 26 -2.723 10.235 -5.798 1.00 0.00 O ATOM 342 CB SER A 26 -3.128 9.507 -2.756 1.00 0.00 C ATOM 343 OG SER A 26 -3.053 10.900 -3.044 1.00 0.00 O ATOM 0 H SER A 26 -2.044 7.252 -2.868 1.00 0.00 H new ATOM 0 HA SER A 26 -4.104 8.544 -4.392 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.049 9.298 -2.212 1.00 0.00 H new ATOM 0 HB3 SER A 26 -2.302 9.227 -2.102 1.00 0.00 H new ATOM 0 HG SER A 26 -3.086 11.409 -2.207 1.00 0.00 H new ATOM 348 N ASP A 27 -0.989 8.913 -5.193 1.00 0.00 N ATOM 349 CA ASP A 27 -0.073 9.480 -6.169 1.00 0.00 C ATOM 350 C ASP A 27 -0.181 8.696 -7.478 1.00 0.00 C ATOM 351 O ASP A 27 0.683 8.810 -8.345 1.00 0.00 O ATOM 352 CB ASP A 27 1.374 9.390 -5.681 1.00 0.00 C ATOM 353 CG ASP A 27 1.834 7.987 -5.276 1.00 0.00 C ATOM 354 OD1 ASP A 27 1.131 7.269 -4.550 1.00 0.00 O ATOM 355 OD2 ASP A 27 2.983 7.634 -5.745 1.00 0.00 O ATOM 0 H ASP A 27 -0.590 8.177 -4.610 1.00 0.00 H new ATOM 0 HA ASP A 27 -0.340 10.527 -6.316 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.031 9.758 -6.469 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.496 10.057 -4.827 1.00 0.00 H new ATOM 360 N ASN A 28 -1.248 7.918 -7.579 1.00 0.00 N ATOM 361 CA ASN A 28 -1.480 7.116 -8.768 1.00 0.00 C ATOM 362 C ASN A 28 -0.372 6.069 -8.896 1.00 0.00 C ATOM 363 O ASN A 28 0.111 5.802 -9.994 1.00 0.00 O ATOM 364 CB ASN A 28 -1.458 7.982 -10.029 1.00 0.00 C ATOM 365 CG ASN A 28 -2.048 7.227 -11.223 1.00 0.00 C ATOM 366 OD1 ASN A 28 -1.854 6.035 -11.394 1.00 0.00 O ATOM 367 ND2 ASN A 28 -2.777 7.986 -12.037 1.00 0.00 N ATOM 0 H ASN A 28 -1.962 7.826 -6.856 1.00 0.00 H new ATOM 0 HA ASN A 28 -2.458 6.644 -8.671 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -2.025 8.897 -9.856 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -0.433 8.279 -10.252 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -3.213 7.576 -12.863 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -2.900 8.978 -11.835 1.00 0.00 H new ATOM 373 N LYS A 29 -0.002 5.504 -7.755 1.00 0.00 N ATOM 374 CA LYS A 29 1.040 4.491 -7.726 1.00 0.00 C ATOM 375 C LYS A 29 0.411 3.126 -7.439 1.00 0.00 C ATOM 376 O LYS A 29 -0.031 2.865 -6.321 1.00 0.00 O ATOM 377 CB LYS A 29 2.138 4.883 -6.735 1.00 0.00 C ATOM 378 CG LYS A 29 3.479 5.066 -7.449 1.00 0.00 C ATOM 379 CD LYS A 29 4.647 4.745 -6.512 1.00 0.00 C ATOM 380 CE LYS A 29 5.979 5.172 -7.131 1.00 0.00 C ATOM 381 NZ LYS A 29 6.872 4.004 -7.296 1.00 0.00 N ATOM 0 H LYS A 29 -0.405 5.728 -6.845 1.00 0.00 H new ATOM 0 HA LYS A 29 1.529 4.418 -8.697 1.00 0.00 H new ATOM 0 HB2 LYS A 29 1.862 5.808 -6.228 1.00 0.00 H new ATOM 0 HB3 LYS A 29 2.232 4.115 -5.968 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.521 4.417 -8.324 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.567 6.091 -7.808 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.504 5.255 -5.559 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.666 3.676 -6.301 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.803 5.642 -8.099 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.459 5.917 -6.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.772 4.312 -7.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.054 3.572 -6.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.419 3.306 -7.919 1.00 0.00 H new ATOM 391 N THR A 30 0.390 2.292 -8.468 1.00 0.00 N ATOM 392 CA THR A 30 -0.177 0.961 -8.341 1.00 0.00 C ATOM 393 C THR A 30 0.862 -0.011 -7.780 1.00 0.00 C ATOM 394 O THR A 30 1.960 -0.133 -8.323 1.00 0.00 O ATOM 395 CB THR A 30 -0.721 0.545 -9.709 1.00 0.00 C ATOM 396 OG1 THR A 30 -1.853 1.388 -9.904 1.00 0.00 O ATOM 397 CG2 THR A 30 -1.305 -0.868 -9.703 1.00 0.00 C ATOM 0 H THR A 30 0.757 2.513 -9.394 1.00 0.00 H new ATOM 0 HA THR A 30 -1.003 0.951 -7.630 1.00 0.00 H new ATOM 0 HB THR A 30 0.077 0.604 -10.449 1.00 0.00 H new ATOM 0 HG1 THR A 30 -1.883 1.684 -10.838 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.677 -1.112 -10.698 1.00 0.00 H new ATOM 0 HG22 THR A 30 -0.530 -1.581 -9.420 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.125 -0.920 -8.987 1.00 0.00 H new ATOM 405 N TYR A 31 0.481 -0.678 -6.700 1.00 0.00 N ATOM 406 CA TYR A 31 1.367 -1.634 -6.060 1.00 0.00 C ATOM 407 C TYR A 31 0.791 -3.050 -6.134 1.00 0.00 C ATOM 408 O TYR A 31 -0.384 -3.230 -6.449 1.00 0.00 O ATOM 409 CB TYR A 31 1.457 -1.210 -4.593 1.00 0.00 C ATOM 410 CG TYR A 31 2.174 0.124 -4.373 1.00 0.00 C ATOM 411 CD1 TYR A 31 3.549 0.159 -4.270 1.00 0.00 C ATOM 412 CD2 TYR A 31 1.445 1.292 -4.278 1.00 0.00 C ATOM 413 CE1 TYR A 31 4.224 1.414 -4.065 1.00 0.00 C ATOM 414 CE2 TYR A 31 2.120 2.547 -4.072 1.00 0.00 C ATOM 415 CZ TYR A 31 3.476 2.546 -3.976 1.00 0.00 C ATOM 416 OH TYR A 31 4.114 3.732 -3.781 1.00 0.00 O ATOM 0 H TYR A 31 -0.430 -0.575 -6.252 1.00 0.00 H new ATOM 0 HA TYR A 31 2.339 -1.645 -6.553 1.00 0.00 H new ATOM 0 HB2 TYR A 31 0.449 -1.141 -4.183 1.00 0.00 H new ATOM 0 HB3 TYR A 31 1.977 -1.987 -4.032 1.00 0.00 H new ATOM 0 HD1 TYR A 31 4.119 -0.755 -4.343 1.00 0.00 H new ATOM 0 HD2 TYR A 31 0.368 1.265 -4.358 1.00 0.00 H new ATOM 0 HE1 TYR A 31 5.300 1.455 -3.984 1.00 0.00 H new ATOM 0 HE2 TYR A 31 1.562 3.468 -3.995 1.00 0.00 H new ATOM 0 HH TYR A 31 3.463 4.464 -3.818 1.00 0.00 H new ATOM 425 N GLY A 32 1.646 -4.018 -5.838 1.00 0.00 N ATOM 426 CA GLY A 32 1.236 -5.412 -5.867 1.00 0.00 C ATOM 427 C GLY A 32 0.699 -5.855 -4.505 1.00 0.00 C ATOM 428 O GLY A 32 -0.259 -6.623 -4.431 1.00 0.00 O ATOM 0 H GLY A 32 2.620 -3.865 -5.577 1.00 0.00 H new ATOM 0 HA2 GLY A 32 0.468 -5.553 -6.628 1.00 0.00 H new ATOM 0 HA3 GLY A 32 2.083 -6.038 -6.149 1.00 0.00 H new ATOM 432 N ASN A 33 1.340 -5.351 -3.460 1.00 0.00 N ATOM 433 CA ASN A 33 0.938 -5.685 -2.105 1.00 0.00 C ATOM 434 C ASN A 33 1.061 -4.443 -1.220 1.00 0.00 C ATOM 435 O ASN A 33 1.771 -3.499 -1.564 1.00 0.00 O ATOM 436 CB ASN A 33 1.838 -6.774 -1.516 1.00 0.00 C ATOM 437 CG ASN A 33 1.025 -8.016 -1.146 1.00 0.00 C ATOM 438 OD1 ASN A 33 -0.152 -8.131 -1.446 1.00 0.00 O ATOM 439 ND2 ASN A 33 1.717 -8.937 -0.480 1.00 0.00 N ATOM 0 H ASN A 33 2.134 -4.714 -3.525 1.00 0.00 H new ATOM 0 HA ASN A 33 -0.091 -6.044 -2.138 1.00 0.00 H new ATOM 0 HB2 ASN A 33 2.610 -7.042 -2.237 1.00 0.00 H new ATOM 0 HB3 ASN A 33 2.347 -6.391 -0.631 1.00 0.00 H new ATOM 0 HD21 ASN A 33 1.264 -9.803 -0.188 1.00 0.00 H new ATOM 0 HD22 ASN A 33 2.700 -8.777 -0.261 1.00 0.00 H new ATOM 445 N LYS A 34 0.357 -4.483 -0.098 1.00 0.00 N ATOM 446 CA LYS A 34 0.377 -3.371 0.838 1.00 0.00 C ATOM 447 C LYS A 34 1.793 -3.205 1.395 1.00 0.00 C ATOM 448 O LYS A 34 2.128 -2.158 1.946 1.00 0.00 O ATOM 449 CB LYS A 34 -0.690 -3.560 1.917 1.00 0.00 C ATOM 450 CG LYS A 34 -0.078 -3.464 3.316 1.00 0.00 C ATOM 451 CD LYS A 34 -1.037 -4.016 4.373 1.00 0.00 C ATOM 452 CE LYS A 34 -0.280 -4.435 5.635 1.00 0.00 C ATOM 453 NZ LYS A 34 -0.599 -5.837 5.989 1.00 0.00 N ATOM 0 H LYS A 34 -0.231 -5.268 0.184 1.00 0.00 H new ATOM 0 HA LYS A 34 0.122 -2.441 0.330 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -1.466 -2.803 1.803 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -1.171 -4.530 1.792 1.00 0.00 H new ATOM 0 HG2 LYS A 34 0.860 -4.019 3.345 1.00 0.00 H new ATOM 0 HG3 LYS A 34 0.159 -2.425 3.542 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -1.781 -3.260 4.625 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -1.577 -4.872 3.968 1.00 0.00 H new ATOM 0 HE2 LYS A 34 0.793 -4.329 5.475 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -0.545 -3.776 6.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -0.077 -6.106 6.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -1.620 -5.928 6.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -0.324 -6.464 5.206 1.00 0.00 H new ATOM 463 N CYS A 35 2.585 -4.255 1.232 1.00 0.00 N ATOM 464 CA CYS A 35 3.957 -4.239 1.712 1.00 0.00 C ATOM 465 C CYS A 35 4.760 -3.274 0.837 1.00 0.00 C ATOM 466 O CYS A 35 5.437 -2.383 1.350 1.00 0.00 O ATOM 467 CB CYS A 35 4.568 -5.641 1.724 1.00 0.00 C ATOM 468 SG CYS A 35 4.178 -6.635 3.210 1.00 0.00 S ATOM 0 H CYS A 35 2.303 -5.122 0.775 1.00 0.00 H new ATOM 0 HA CYS A 35 3.980 -3.895 2.746 1.00 0.00 H new ATOM 0 HB2 CYS A 35 4.222 -6.180 0.842 1.00 0.00 H new ATOM 0 HB3 CYS A 35 5.651 -5.551 1.638 1.00 0.00 H new ATOM 472 N ASN A 36 4.659 -3.483 -0.467 1.00 0.00 N ATOM 473 CA ASN A 36 5.368 -2.643 -1.417 1.00 0.00 C ATOM 474 C ASN A 36 4.866 -1.203 -1.292 1.00 0.00 C ATOM 475 O ASN A 36 5.643 -0.258 -1.417 1.00 0.00 O ATOM 476 CB ASN A 36 5.121 -3.106 -2.853 1.00 0.00 C ATOM 477 CG ASN A 36 6.151 -4.155 -3.277 1.00 0.00 C ATOM 478 OD1 ASN A 36 6.937 -3.958 -4.189 1.00 0.00 O ATOM 479 ND2 ASN A 36 6.104 -5.277 -2.565 1.00 0.00 N ATOM 0 H ASN A 36 4.097 -4.222 -0.888 1.00 0.00 H new ATOM 0 HA ASN A 36 6.433 -2.708 -1.195 1.00 0.00 H new ATOM 0 HB2 ASN A 36 4.117 -3.522 -2.937 1.00 0.00 H new ATOM 0 HB3 ASN A 36 5.169 -2.251 -3.528 1.00 0.00 H new ATOM 0 HD21 ASN A 36 6.751 -6.038 -2.769 1.00 0.00 H new ATOM 0 HD22 ASN A 36 5.421 -5.376 -1.814 1.00 0.00 H new ATOM 485 N PHE A 37 3.570 -1.082 -1.045 1.00 0.00 N ATOM 486 CA PHE A 37 2.955 0.227 -0.901 1.00 0.00 C ATOM 487 C PHE A 37 3.408 0.907 0.392 1.00 0.00 C ATOM 488 O PHE A 37 3.677 2.107 0.405 1.00 0.00 O ATOM 489 CB PHE A 37 1.442 0.006 -0.845 1.00 0.00 C ATOM 490 CG PHE A 37 0.619 1.282 -1.042 1.00 0.00 C ATOM 491 CD1 PHE A 37 0.789 2.337 -0.202 1.00 0.00 C ATOM 492 CD2 PHE A 37 -0.282 1.358 -2.058 1.00 0.00 C ATOM 493 CE1 PHE A 37 0.026 3.520 -0.385 1.00 0.00 C ATOM 494 CE2 PHE A 37 -1.045 2.541 -2.241 1.00 0.00 C ATOM 495 CZ PHE A 37 -0.876 3.597 -1.401 1.00 0.00 C ATOM 0 H PHE A 37 2.929 -1.868 -0.941 1.00 0.00 H new ATOM 0 HA PHE A 37 3.242 0.867 -1.735 1.00 0.00 H new ATOM 0 HB2 PHE A 37 1.162 -0.717 -1.611 1.00 0.00 H new ATOM 0 HB3 PHE A 37 1.185 -0.435 0.118 1.00 0.00 H new ATOM 0 HD1 PHE A 37 1.505 2.275 0.605 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -0.417 0.519 -2.725 1.00 0.00 H new ATOM 0 HE1 PHE A 37 0.161 4.359 0.282 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -1.760 2.602 -3.048 1.00 0.00 H new ATOM 0 HZ PHE A 37 -1.457 4.496 -1.540 1.00 0.00 H new ATOM 504 N CYS A 38 3.478 0.110 1.448 1.00 0.00 N ATOM 505 CA CYS A 38 3.895 0.620 2.744 1.00 0.00 C ATOM 506 C CYS A 38 5.336 1.122 2.622 1.00 0.00 C ATOM 507 O CYS A 38 5.642 2.242 3.027 1.00 0.00 O ATOM 508 CB CYS A 38 3.750 -0.436 3.841 1.00 0.00 C ATOM 509 SG CYS A 38 2.038 -0.699 4.431 1.00 0.00 S ATOM 0 H CYS A 38 3.253 -0.885 1.433 1.00 0.00 H new ATOM 0 HA CYS A 38 3.247 1.446 3.038 1.00 0.00 H new ATOM 0 HB2 CYS A 38 4.140 -1.383 3.468 1.00 0.00 H new ATOM 0 HB3 CYS A 38 4.371 -0.147 4.689 1.00 0.00 H new ATOM 513 N ASN A 39 6.181 0.269 2.062 1.00 0.00 N ATOM 514 CA ASN A 39 7.581 0.612 1.882 1.00 0.00 C ATOM 515 C ASN A 39 7.685 1.907 1.075 1.00 0.00 C ATOM 516 O ASN A 39 8.643 2.664 1.227 1.00 0.00 O ATOM 517 CB ASN A 39 8.323 -0.485 1.115 1.00 0.00 C ATOM 518 CG ASN A 39 9.689 -0.766 1.743 1.00 0.00 C ATOM 519 OD1 ASN A 39 10.571 0.077 1.777 1.00 0.00 O ATOM 520 ND2 ASN A 39 9.815 -1.994 2.237 1.00 0.00 N ATOM 0 H ASN A 39 5.923 -0.659 1.727 1.00 0.00 H new ATOM 0 HA ASN A 39 8.029 0.728 2.869 1.00 0.00 H new ATOM 0 HB2 ASN A 39 7.727 -1.397 1.110 1.00 0.00 H new ATOM 0 HB3 ASN A 39 8.452 -0.183 0.076 1.00 0.00 H new ATOM 0 HD21 ASN A 39 10.690 -2.279 2.677 1.00 0.00 H new ATOM 0 HD22 ASN A 39 9.037 -2.651 2.176 1.00 0.00 H new ATOM 526 N ALA A 40 6.685 2.123 0.233 1.00 0.00 N ATOM 527 CA ALA A 40 6.652 3.315 -0.600 1.00 0.00 C ATOM 528 C ALA A 40 6.155 4.499 0.232 1.00 0.00 C ATOM 529 O ALA A 40 6.615 5.625 0.052 1.00 0.00 O ATOM 530 CB ALA A 40 5.775 3.055 -1.826 1.00 0.00 C ATOM 0 H ALA A 40 5.892 1.494 0.109 1.00 0.00 H new ATOM 0 HA ALA A 40 7.651 3.561 -0.959 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.749 3.948 -2.451 1.00 0.00 H new ATOM 0 HB2 ALA A 40 6.186 2.223 -2.398 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.763 2.809 -1.504 1.00 0.00 H new ATOM 536 N VAL A 41 5.222 4.204 1.125 1.00 0.00 N ATOM 537 CA VAL A 41 4.658 5.230 1.985 1.00 0.00 C ATOM 538 C VAL A 41 5.759 5.798 2.884 1.00 0.00 C ATOM 539 O VAL A 41 5.992 7.006 2.897 1.00 0.00 O ATOM 540 CB VAL A 41 3.476 4.661 2.774 1.00 0.00 C ATOM 541 CG1 VAL A 41 3.006 5.648 3.845 1.00 0.00 C ATOM 542 CG2 VAL A 41 2.329 4.277 1.840 1.00 0.00 C ATOM 0 H VAL A 41 4.842 3.269 1.272 1.00 0.00 H new ATOM 0 HA VAL A 41 4.267 6.055 1.389 1.00 0.00 H new ATOM 0 HB VAL A 41 3.814 3.756 3.279 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.166 5.219 4.391 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.823 5.850 4.537 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.694 6.578 3.371 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.502 3.876 2.425 1.00 0.00 H new ATOM 0 HG22 VAL A 41 1.993 5.159 1.295 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.673 3.522 1.133 1.00 0.00 H new ATOM 552 N VAL A 42 6.405 4.900 3.612 1.00 0.00 N ATOM 553 CA VAL A 42 7.476 5.297 4.511 1.00 0.00 C ATOM 554 C VAL A 42 8.524 6.092 3.730 1.00 0.00 C ATOM 555 O VAL A 42 9.066 7.074 4.234 1.00 0.00 O ATOM 556 CB VAL A 42 8.057 4.065 5.208 1.00 0.00 C ATOM 557 CG1 VAL A 42 7.340 3.794 6.532 1.00 0.00 C ATOM 558 CG2 VAL A 42 8.002 2.840 4.293 1.00 0.00 C ATOM 0 H VAL A 42 6.208 3.899 3.598 1.00 0.00 H new ATOM 0 HA VAL A 42 7.093 5.949 5.297 1.00 0.00 H new ATOM 0 HB VAL A 42 9.104 4.269 5.431 1.00 0.00 H new ATOM 0 HG11 VAL A 42 7.773 2.913 7.006 1.00 0.00 H new ATOM 0 HG12 VAL A 42 7.455 4.655 7.191 1.00 0.00 H new ATOM 0 HG13 VAL A 42 6.281 3.621 6.343 1.00 0.00 H new ATOM 0 HG21 VAL A 42 8.421 1.978 4.813 1.00 0.00 H new ATOM 0 HG22 VAL A 42 6.966 2.633 4.024 1.00 0.00 H new ATOM 0 HG23 VAL A 42 8.580 3.035 3.389 1.00 0.00 H new ATOM 568 N GLU A 43 8.779 5.637 2.512 1.00 0.00 N ATOM 569 CA GLU A 43 9.752 6.293 1.656 1.00 0.00 C ATOM 570 C GLU A 43 9.293 7.715 1.323 1.00 0.00 C ATOM 571 O GLU A 43 10.114 8.621 1.194 1.00 0.00 O ATOM 572 CB GLU A 43 9.997 5.483 0.382 1.00 0.00 C ATOM 573 CG GLU A 43 11.495 5.336 0.104 1.00 0.00 C ATOM 574 CD GLU A 43 11.846 5.849 -1.294 1.00 0.00 C ATOM 575 OE1 GLU A 43 11.675 5.120 -2.283 1.00 0.00 O ATOM 576 OE2 GLU A 43 12.312 7.051 -1.332 1.00 0.00 O ATOM 0 H GLU A 43 8.328 4.821 2.098 1.00 0.00 H new ATOM 0 HA GLU A 43 10.698 6.354 2.195 1.00 0.00 H new ATOM 0 HB2 GLU A 43 9.544 4.497 0.481 1.00 0.00 H new ATOM 0 HB3 GLU A 43 9.513 5.973 -0.463 1.00 0.00 H new ATOM 0 HG2 GLU A 43 12.063 5.889 0.852 1.00 0.00 H new ATOM 0 HG3 GLU A 43 11.784 4.289 0.194 1.00 0.00 H new ATOM 582 N SER A 44 7.983 7.862 1.190 1.00 0.00 N ATOM 583 CA SER A 44 7.404 9.158 0.874 1.00 0.00 C ATOM 584 C SER A 44 7.087 9.918 2.164 1.00 0.00 C ATOM 585 O SER A 44 6.072 10.608 2.246 1.00 0.00 O ATOM 586 CB SER A 44 6.142 9.004 0.023 1.00 0.00 C ATOM 587 OG SER A 44 6.119 9.922 -1.066 1.00 0.00 O ATOM 0 H SER A 44 7.306 7.106 1.295 1.00 0.00 H new ATOM 0 HA SER A 44 8.132 9.727 0.295 1.00 0.00 H new ATOM 0 HB2 SER A 44 6.085 7.985 -0.360 1.00 0.00 H new ATOM 0 HB3 SER A 44 5.262 9.160 0.647 1.00 0.00 H new ATOM 0 HG SER A 44 5.299 9.792 -1.586 1.00 0.00 H new ATOM 592 N ASN A 45 7.972 9.764 3.137 1.00 0.00 N ATOM 593 CA ASN A 45 7.798 10.427 4.417 1.00 0.00 C ATOM 594 C ASN A 45 6.470 9.988 5.039 1.00 0.00 C ATOM 595 O ASN A 45 5.968 10.632 5.959 1.00 0.00 O ATOM 596 CB ASN A 45 7.761 11.948 4.250 1.00 0.00 C ATOM 597 CG ASN A 45 8.853 12.618 5.085 1.00 0.00 C ATOM 598 OD1 ASN A 45 9.823 12.002 5.497 1.00 0.00 O ATOM 599 ND2 ASN A 45 8.644 13.912 5.312 1.00 0.00 N ATOM 0 H ASN A 45 8.812 9.190 3.065 1.00 0.00 H new ATOM 0 HA ASN A 45 8.639 10.154 5.054 1.00 0.00 H new ATOM 0 HB2 ASN A 45 7.893 12.205 3.199 1.00 0.00 H new ATOM 0 HB3 ASN A 45 6.784 12.327 4.551 1.00 0.00 H new ATOM 0 HD21 ASN A 45 9.316 14.449 5.860 1.00 0.00 H new ATOM 0 HD22 ASN A 45 7.811 14.367 4.938 1.00 0.00 H new ATOM 605 N GLY A 46 5.941 8.894 4.511 1.00 0.00 N ATOM 606 CA GLY A 46 4.682 8.361 5.003 1.00 0.00 C ATOM 607 C GLY A 46 3.513 9.270 4.616 1.00 0.00 C ATOM 608 O GLY A 46 2.520 9.350 5.339 1.00 0.00 O ATOM 0 H GLY A 46 6.361 8.363 3.748 1.00 0.00 H new ATOM 0 HA2 GLY A 46 4.522 7.363 4.596 1.00 0.00 H new ATOM 0 HA3 GLY A 46 4.725 8.260 6.087 1.00 0.00 H new ATOM 612 N THR A 47 3.671 9.932 3.480 1.00 0.00 N ATOM 613 CA THR A 47 2.641 10.833 2.990 1.00 0.00 C ATOM 614 C THR A 47 1.706 10.099 2.026 1.00 0.00 C ATOM 615 O THR A 47 0.508 10.376 1.987 1.00 0.00 O ATOM 616 CB THR A 47 3.333 12.044 2.361 1.00 0.00 C ATOM 617 OG1 THR A 47 4.040 11.502 1.250 1.00 0.00 O ATOM 618 CG2 THR A 47 4.431 12.621 3.257 1.00 0.00 C ATOM 0 H THR A 47 4.496 9.863 2.884 1.00 0.00 H new ATOM 0 HA THR A 47 2.007 11.188 3.802 1.00 0.00 H new ATOM 0 HB THR A 47 2.593 12.816 2.151 1.00 0.00 H new ATOM 0 HG1 THR A 47 4.975 11.348 1.501 1.00 0.00 H new ATOM 0 HG21 THR A 47 4.890 13.478 2.764 1.00 0.00 H new ATOM 0 HG22 THR A 47 3.998 12.937 4.206 1.00 0.00 H new ATOM 0 HG23 THR A 47 5.189 11.859 3.440 1.00 0.00 H new ATOM 626 N LEU A 48 2.289 9.179 1.272 1.00 0.00 N ATOM 627 CA LEU A 48 1.522 8.404 0.311 1.00 0.00 C ATOM 628 C LEU A 48 0.360 7.716 1.029 1.00 0.00 C ATOM 629 O LEU A 48 0.556 7.063 2.053 1.00 0.00 O ATOM 630 CB LEU A 48 2.435 7.438 -0.447 1.00 0.00 C ATOM 631 CG LEU A 48 2.043 7.142 -1.896 1.00 0.00 C ATOM 632 CD1 LEU A 48 3.282 6.935 -2.769 1.00 0.00 C ATOM 633 CD2 LEU A 48 1.082 5.954 -1.972 1.00 0.00 C ATOM 0 H LEU A 48 3.283 8.953 1.307 1.00 0.00 H new ATOM 0 HA LEU A 48 1.088 9.057 -0.446 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.446 7.845 -0.441 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.467 6.495 0.100 1.00 0.00 H new ATOM 0 HG LEU A 48 1.514 8.010 -2.291 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.974 6.726 -3.794 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.895 7.836 -2.751 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.861 6.095 -2.386 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.819 5.765 -3.013 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.562 5.070 -1.552 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.179 6.180 -1.405 1.00 0.00 H new ATOM 644 N THR A 49 -0.827 7.886 0.463 1.00 0.00 N ATOM 645 CA THR A 49 -2.021 7.290 1.036 1.00 0.00 C ATOM 646 C THR A 49 -2.675 6.336 0.035 1.00 0.00 C ATOM 647 O THR A 49 -2.548 6.518 -1.176 1.00 0.00 O ATOM 648 CB THR A 49 -2.945 8.422 1.489 1.00 0.00 C ATOM 649 OG1 THR A 49 -3.061 9.256 0.338 1.00 0.00 O ATOM 650 CG2 THR A 49 -2.295 9.325 2.539 1.00 0.00 C ATOM 0 H THR A 49 -0.986 8.428 -0.386 1.00 0.00 H new ATOM 0 HA THR A 49 -1.779 6.681 1.907 1.00 0.00 H new ATOM 0 HB THR A 49 -3.865 8.000 1.894 1.00 0.00 H new ATOM 0 HG1 THR A 49 -3.645 10.016 0.542 1.00 0.00 H new ATOM 0 HG21 THR A 49 -2.994 10.111 2.825 1.00 0.00 H new ATOM 0 HG22 THR A 49 -2.035 8.733 3.417 1.00 0.00 H new ATOM 0 HG23 THR A 49 -1.393 9.775 2.124 1.00 0.00 H new ATOM 658 N LEU A 50 -3.359 5.339 0.575 1.00 0.00 N ATOM 659 CA LEU A 50 -4.033 4.356 -0.256 1.00 0.00 C ATOM 660 C LEU A 50 -5.271 4.993 -0.890 1.00 0.00 C ATOM 661 O LEU A 50 -6.158 5.471 -0.184 1.00 0.00 O ATOM 662 CB LEU A 50 -4.335 3.090 0.548 1.00 0.00 C ATOM 663 CG LEU A 50 -4.581 1.819 -0.268 1.00 0.00 C ATOM 664 CD1 LEU A 50 -5.488 2.105 -1.467 1.00 0.00 C ATOM 665 CD2 LEU A 50 -3.259 1.175 -0.690 1.00 0.00 C ATOM 0 H LEU A 50 -3.461 5.190 1.579 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.384 4.039 -1.072 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.501 2.907 1.226 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.213 3.277 1.166 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.101 1.101 0.365 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -5.647 1.186 -2.030 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -6.447 2.486 -1.115 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.017 2.848 -2.111 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.462 0.274 -1.268 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.690 1.877 -1.300 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.682 0.915 0.197 1.00 0.00 H new ATOM 676 N SER A 51 -5.292 4.981 -2.215 1.00 0.00 N ATOM 677 CA SER A 51 -6.408 5.551 -2.952 1.00 0.00 C ATOM 678 C SER A 51 -7.591 4.582 -2.941 1.00 0.00 C ATOM 679 O SER A 51 -8.718 4.976 -2.645 1.00 0.00 O ATOM 680 CB SER A 51 -6.005 5.883 -4.389 1.00 0.00 C ATOM 681 OG SER A 51 -6.039 7.286 -4.642 1.00 0.00 O ATOM 0 H SER A 51 -4.554 4.586 -2.798 1.00 0.00 H new ATOM 0 HA SER A 51 -6.704 6.479 -2.463 1.00 0.00 H new ATOM 0 HB2 SER A 51 -5.001 5.504 -4.581 1.00 0.00 H new ATOM 0 HB3 SER A 51 -6.676 5.373 -5.081 1.00 0.00 H new ATOM 0 HG SER A 51 -5.774 7.458 -5.570 1.00 0.00 H new ATOM 686 N HIS A 52 -7.295 3.333 -3.270 1.00 0.00 N ATOM 687 CA HIS A 52 -8.320 2.304 -3.304 1.00 0.00 C ATOM 688 C HIS A 52 -7.675 0.943 -3.576 1.00 0.00 C ATOM 689 O HIS A 52 -6.511 0.873 -3.968 1.00 0.00 O ATOM 690 CB HIS A 52 -9.411 2.657 -4.317 1.00 0.00 C ATOM 691 CG HIS A 52 -8.910 2.794 -5.735 1.00 0.00 C ATOM 692 ND1 HIS A 52 -8.847 1.727 -6.614 1.00 0.00 N ATOM 693 CD2 HIS A 52 -8.451 3.882 -6.417 1.00 0.00 C ATOM 694 CE1 HIS A 52 -8.369 2.165 -7.770 1.00 0.00 C ATOM 695 NE2 HIS A 52 -8.123 3.500 -7.646 1.00 0.00 N ATOM 0 H HIS A 52 -6.359 3.010 -3.516 1.00 0.00 H new ATOM 0 HA HIS A 52 -8.812 2.245 -2.333 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -10.183 1.888 -4.288 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -9.882 3.593 -4.017 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -9.122 0.767 -6.407 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -8.368 4.885 -6.024 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -8.203 1.569 -8.655 1.00 0.00 H new ATOM 703 N PHE A 53 -8.459 -0.101 -3.358 1.00 0.00 N ATOM 704 CA PHE A 53 -7.979 -1.455 -3.576 1.00 0.00 C ATOM 705 C PHE A 53 -8.075 -1.841 -5.054 1.00 0.00 C ATOM 706 O PHE A 53 -8.715 -1.145 -5.840 1.00 0.00 O ATOM 707 CB PHE A 53 -8.878 -2.385 -2.759 1.00 0.00 C ATOM 708 CG PHE A 53 -8.446 -2.543 -1.299 1.00 0.00 C ATOM 709 CD1 PHE A 53 -8.130 -1.446 -0.562 1.00 0.00 C ATOM 710 CD2 PHE A 53 -8.379 -3.781 -0.740 1.00 0.00 C ATOM 711 CE1 PHE A 53 -7.729 -1.592 0.793 1.00 0.00 C ATOM 712 CE2 PHE A 53 -7.979 -3.927 0.615 1.00 0.00 C ATOM 713 CZ PHE A 53 -7.663 -2.830 1.353 1.00 0.00 C ATOM 0 H PHE A 53 -9.424 -0.037 -3.033 1.00 0.00 H new ATOM 0 HA PHE A 53 -6.934 -1.531 -3.276 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -9.899 -2.003 -2.786 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -8.892 -3.367 -3.231 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -8.184 -0.463 -1.006 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -8.630 -4.653 -1.326 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -7.477 -0.720 1.378 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -7.926 -4.910 1.059 1.00 0.00 H new ATOM 0 HZ PHE A 53 -7.360 -2.941 2.384 1.00 0.00 H new ATOM 722 N GLY A 54 -7.430 -2.950 -5.386 1.00 0.00 N ATOM 723 CA GLY A 54 -7.435 -3.436 -6.755 1.00 0.00 C ATOM 724 C GLY A 54 -6.695 -2.472 -7.683 1.00 0.00 C ATOM 725 O GLY A 54 -6.581 -1.283 -7.385 1.00 0.00 O ATOM 0 H GLY A 54 -6.901 -3.525 -4.731 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -6.966 -4.419 -6.797 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -8.463 -3.559 -7.097 1.00 0.00 H new ATOM 729 N LYS A 55 -6.210 -3.018 -8.788 1.00 0.00 N ATOM 730 CA LYS A 55 -5.483 -2.220 -9.761 1.00 0.00 C ATOM 731 C LYS A 55 -6.187 -0.873 -9.937 1.00 0.00 C ATOM 732 O LYS A 55 -7.394 -0.767 -9.731 1.00 0.00 O ATOM 733 CB LYS A 55 -5.307 -2.997 -11.068 1.00 0.00 C ATOM 734 CG LYS A 55 -3.827 -3.213 -11.382 1.00 0.00 C ATOM 735 CD LYS A 55 -3.597 -4.579 -12.033 1.00 0.00 C ATOM 736 CE LYS A 55 -3.914 -4.533 -13.529 1.00 0.00 C ATOM 737 NZ LYS A 55 -5.369 -4.689 -13.756 1.00 0.00 N ATOM 0 H LYS A 55 -6.306 -4.004 -9.032 1.00 0.00 H new ATOM 0 HA LYS A 55 -4.475 -2.010 -9.404 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -5.811 -3.961 -10.993 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -5.780 -2.453 -11.885 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -3.474 -2.425 -12.048 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -3.243 -3.141 -10.465 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -2.562 -4.886 -11.886 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -4.223 -5.327 -11.548 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -3.574 -3.587 -13.950 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -3.372 -5.325 -14.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -5.536 -5.009 -14.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -5.751 -5.392 -13.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -5.844 -3.776 -13.605 1.00 0.00 H new ATOM 747 N CYS A 56 -5.399 0.124 -10.315 1.00 0.00 N ATOM 748 CA CYS A 56 -5.931 1.460 -10.521 1.00 0.00 C ATOM 749 C CYS A 56 -7.186 1.350 -11.390 1.00 0.00 C ATOM 750 O CYS A 56 -7.390 2.155 -12.298 1.00 0.00 O ATOM 751 CB CYS A 56 -4.890 2.395 -11.139 1.00 0.00 C ATOM 752 SG CYS A 56 -4.436 3.832 -10.101 1.00 0.00 S ATOM 0 H CYS A 56 -4.397 0.033 -10.484 1.00 0.00 H new ATOM 0 HA CYS A 56 -6.194 1.901 -9.559 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -3.989 1.821 -11.354 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -5.271 2.760 -12.093 1.00 0.00 H new TER 756 CYS A 56