USER MOD reduce.3.24.130724 H: found=0, std=0, add=488, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 488 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 22 TYR OH : rot 150:sc= 0.17 USER MOD Set 1.2: A 51 TYR OH : rot -100:sc= 0.188 USER MOD Single : A 1 ARG N :NH3+ -118:sc= -0.317 (180deg=-1.62) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= -1.26! C(o=-1.3!,f=-7.1!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=-0.004) USER MOD Single : A 23 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00325) USER MOD Single : A 24 MET CE :methyl -138:sc= -0.984 (180deg=-3.69!) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.133 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -0.736 K(o=-0.74,f=-4.4!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -1.91! K(o=-1.9!,f=-1.3) USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.365 USER MOD Single : A 60 ASN : amide:sc= -12.7! C(o=-13!,f=-20!) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -10.128 -8.078 5.900 1.00 0.00 N ATOM 2 CA ARG A 1 -10.688 -6.699 5.808 1.00 0.00 C ATOM 3 C ARG A 1 -10.292 -6.078 4.467 1.00 0.00 C ATOM 4 O ARG A 1 -10.108 -6.768 3.484 1.00 0.00 O ATOM 5 CB ARG A 1 -10.134 -5.848 6.954 1.00 0.00 C ATOM 6 CG ARG A 1 -11.274 -5.063 7.606 1.00 0.00 C ATOM 7 CD ARG A 1 -11.446 -5.519 9.056 1.00 0.00 C ATOM 8 NE ARG A 1 -10.375 -4.915 9.897 1.00 0.00 N ATOM 9 CZ ARG A 1 -10.608 -4.647 11.153 1.00 0.00 C ATOM 10 NH1 ARG A 1 -11.625 -3.898 11.483 1.00 0.00 N ATOM 11 NH2 ARG A 1 -9.823 -5.125 12.080 1.00 0.00 N ATOM 0 H1 ARG A 1 -10.906 -8.764 5.979 1.00 0.00 H new ATOM 0 H2 ARG A 1 -9.571 -8.284 5.047 1.00 0.00 H new ATOM 0 H3 ARG A 1 -9.517 -8.149 6.738 1.00 0.00 H new ATOM 0 HA ARG A 1 -11.775 -6.739 5.880 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -9.649 -6.486 7.693 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -9.375 -5.162 6.577 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -11.059 -3.995 7.573 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -12.200 -5.219 7.053 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -12.426 -5.222 9.428 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -11.399 -6.606 9.114 1.00 0.00 H new ATOM 0 HE ARG A 1 -9.461 -4.711 9.492 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -12.238 -3.522 10.759 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -11.807 -3.689 12.465 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -9.027 -5.708 11.823 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -10.006 -4.915 13.061 1.00 0.00 H new ATOM 27 N LYS A 2 -10.159 -4.781 4.417 1.00 0.00 N ATOM 28 CA LYS A 2 -9.776 -4.120 3.135 1.00 0.00 C ATOM 29 C LYS A 2 -8.787 -2.988 3.422 1.00 0.00 C ATOM 30 O LYS A 2 -8.344 -2.810 4.540 1.00 0.00 O ATOM 31 CB LYS A 2 -11.024 -3.544 2.459 1.00 0.00 C ATOM 32 CG LYS A 2 -12.069 -3.184 3.518 1.00 0.00 C ATOM 33 CD LYS A 2 -13.042 -4.352 3.689 1.00 0.00 C ATOM 34 CE LYS A 2 -13.989 -4.062 4.854 1.00 0.00 C ATOM 35 NZ LYS A 2 -15.397 -4.085 4.365 1.00 0.00 N ATOM 0 H LYS A 2 -10.298 -4.150 5.206 1.00 0.00 H new ATOM 0 HA LYS A 2 -9.313 -4.853 2.475 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -10.759 -2.659 1.881 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -11.438 -4.270 1.759 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -11.580 -2.962 4.466 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -12.610 -2.286 3.220 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -13.612 -4.501 2.772 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -12.491 -5.274 3.875 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -13.853 -4.804 5.641 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -13.760 -3.090 5.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -16.043 -3.888 5.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -15.521 -3.361 3.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -15.612 -5.022 3.968 1.00 0.00 H new ATOM 49 N CYS A 3 -8.441 -2.218 2.426 1.00 0.00 N ATOM 50 CA CYS A 3 -7.488 -1.097 2.650 1.00 0.00 C ATOM 51 C CYS A 3 -8.166 0.208 2.239 1.00 0.00 C ATOM 52 O CYS A 3 -8.465 0.421 1.084 1.00 0.00 O ATOM 53 CB CYS A 3 -6.228 -1.309 1.803 1.00 0.00 C ATOM 54 SG CYS A 3 -6.044 -3.066 1.404 1.00 0.00 S ATOM 0 H CYS A 3 -8.777 -2.318 1.468 1.00 0.00 H new ATOM 0 HA CYS A 3 -7.204 -1.057 3.702 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -6.293 -0.723 0.886 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -5.351 -0.956 2.345 1.00 0.00 H new ATOM 59 N ASN A 4 -8.423 1.081 3.172 1.00 0.00 N ATOM 60 CA ASN A 4 -9.091 2.362 2.817 1.00 0.00 C ATOM 61 C ASN A 4 -8.036 3.405 2.442 1.00 0.00 C ATOM 62 O ASN A 4 -8.258 4.594 2.557 1.00 0.00 O ATOM 63 CB ASN A 4 -9.901 2.863 4.015 1.00 0.00 C ATOM 64 CG ASN A 4 -10.842 1.755 4.492 1.00 0.00 C ATOM 65 OD1 ASN A 4 -10.635 0.596 4.193 1.00 0.00 O ATOM 66 ND2 ASN A 4 -11.874 2.066 5.227 1.00 0.00 N ATOM 0 H ASN A 4 -8.200 0.963 4.160 1.00 0.00 H new ATOM 0 HA ASN A 4 -9.756 2.200 1.969 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -9.231 3.159 4.822 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -10.474 3.747 3.736 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -12.508 1.336 5.551 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -12.047 3.040 5.478 1.00 0.00 H new ATOM 73 N LYS A 5 -6.886 2.970 2.002 1.00 0.00 N ATOM 74 CA LYS A 5 -5.817 3.940 1.631 1.00 0.00 C ATOM 75 C LYS A 5 -5.012 3.394 0.450 1.00 0.00 C ATOM 76 O LYS A 5 -4.880 2.199 0.274 1.00 0.00 O ATOM 77 CB LYS A 5 -4.883 4.146 2.825 1.00 0.00 C ATOM 78 CG LYS A 5 -5.697 4.143 4.121 1.00 0.00 C ATOM 79 CD LYS A 5 -6.405 5.490 4.284 1.00 0.00 C ATOM 80 CE LYS A 5 -5.431 6.510 4.873 1.00 0.00 C ATOM 81 NZ LYS A 5 -6.183 7.503 5.692 1.00 0.00 N ATOM 0 H LYS A 5 -6.641 1.987 1.884 1.00 0.00 H new ATOM 0 HA LYS A 5 -6.273 4.890 1.351 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -4.133 3.356 2.853 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -4.348 5.090 2.722 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -6.429 3.336 4.101 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -5.043 3.959 4.973 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -6.773 5.838 3.319 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -7.272 5.381 4.936 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -4.687 6.004 5.489 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -4.891 7.017 4.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -5.519 8.197 6.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -6.877 7.994 5.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -6.678 7.012 6.464 1.00 0.00 H new ATOM 95 N LEU A 6 -4.469 4.263 -0.356 1.00 0.00 N ATOM 96 CA LEU A 6 -3.665 3.804 -1.523 1.00 0.00 C ATOM 97 C LEU A 6 -2.761 4.946 -1.994 1.00 0.00 C ATOM 98 O LEU A 6 -1.602 4.745 -2.295 1.00 0.00 O ATOM 99 CB LEU A 6 -4.598 3.380 -2.658 1.00 0.00 C ATOM 100 CG LEU A 6 -5.015 1.922 -2.456 1.00 0.00 C ATOM 101 CD1 LEU A 6 -6.499 1.862 -2.096 1.00 0.00 C ATOM 102 CD2 LEU A 6 -4.771 1.136 -3.747 1.00 0.00 C ATOM 0 H LEU A 6 -4.548 5.275 -0.256 1.00 0.00 H new ATOM 0 HA LEU A 6 -3.051 2.952 -1.231 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -5.479 4.022 -2.679 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -4.096 3.496 -3.619 1.00 0.00 H new ATOM 0 HG LEU A 6 -4.427 1.485 -1.649 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -6.797 0.823 -1.952 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -6.673 2.420 -1.176 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.087 2.299 -2.903 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -5.068 0.097 -3.602 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -5.358 1.572 -4.555 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.713 1.178 -4.004 1.00 0.00 H new ATOM 114 N VAL A 7 -3.277 6.146 -2.050 1.00 0.00 N ATOM 115 CA VAL A 7 -2.430 7.290 -2.490 1.00 0.00 C ATOM 116 C VAL A 7 -2.889 8.585 -1.758 1.00 0.00 C ATOM 117 O VAL A 7 -2.457 8.779 -0.639 1.00 0.00 O ATOM 118 CB VAL A 7 -2.455 7.379 -4.018 1.00 0.00 C ATOM 119 CG1 VAL A 7 -1.316 6.528 -4.570 1.00 0.00 C ATOM 120 CG2 VAL A 7 -3.781 6.831 -4.561 1.00 0.00 C ATOM 0 H VAL A 7 -4.241 6.381 -1.812 1.00 0.00 H new ATOM 0 HA VAL A 7 -1.386 7.145 -2.214 1.00 0.00 H new ATOM 0 HB VAL A 7 -2.347 8.421 -4.320 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -1.318 6.579 -5.659 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -0.365 6.903 -4.191 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -1.450 5.493 -4.255 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -3.785 6.900 -5.649 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -3.893 5.788 -4.263 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -4.608 7.414 -4.157 1.00 0.00 H new ATOM 130 N PRO A 8 -3.751 9.440 -2.316 1.00 0.00 N ATOM 131 CA PRO A 8 -4.186 10.632 -1.567 1.00 0.00 C ATOM 132 C PRO A 8 -5.301 10.207 -0.615 1.00 0.00 C ATOM 133 O PRO A 8 -5.085 9.948 0.552 1.00 0.00 O ATOM 134 CB PRO A 8 -4.732 11.574 -2.640 1.00 0.00 C ATOM 135 CG PRO A 8 -5.123 10.681 -3.838 1.00 0.00 C ATOM 136 CD PRO A 8 -4.369 9.350 -3.665 1.00 0.00 C ATOM 0 HA PRO A 8 -3.396 11.102 -0.982 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -5.594 12.128 -2.269 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -3.982 12.309 -2.931 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -6.200 10.515 -3.861 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -4.854 11.158 -4.780 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -5.047 8.499 -3.734 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -3.613 9.219 -4.439 1.00 0.00 H new ATOM 144 N LEU A 9 -6.493 10.108 -1.130 1.00 0.00 N ATOM 145 CA LEU A 9 -7.642 9.672 -0.306 1.00 0.00 C ATOM 146 C LEU A 9 -8.237 8.412 -0.944 1.00 0.00 C ATOM 147 O LEU A 9 -9.434 8.203 -0.932 1.00 0.00 O ATOM 148 CB LEU A 9 -8.678 10.801 -0.273 1.00 0.00 C ATOM 149 CG LEU A 9 -9.525 10.787 -1.551 1.00 0.00 C ATOM 150 CD1 LEU A 9 -10.940 10.308 -1.224 1.00 0.00 C ATOM 151 CD2 LEU A 9 -9.590 12.202 -2.132 1.00 0.00 C ATOM 0 H LEU A 9 -6.719 10.315 -2.103 1.00 0.00 H new ATOM 0 HA LEU A 9 -7.333 9.448 0.715 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -9.322 10.687 0.599 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -8.174 11.763 -0.173 1.00 0.00 H new ATOM 0 HG LEU A 9 -9.073 10.112 -2.278 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -11.540 10.299 -2.134 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -10.896 9.302 -0.808 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -11.393 10.982 -0.497 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -10.192 12.195 -3.041 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -10.042 12.874 -1.403 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -8.583 12.546 -2.367 1.00 0.00 H new ATOM 163 N PHE A 10 -7.406 7.578 -1.522 1.00 0.00 N ATOM 164 CA PHE A 10 -7.925 6.348 -2.181 1.00 0.00 C ATOM 165 C PHE A 10 -8.243 5.286 -1.125 1.00 0.00 C ATOM 166 O PHE A 10 -7.743 5.319 -0.021 1.00 0.00 O ATOM 167 CB PHE A 10 -6.862 5.803 -3.139 1.00 0.00 C ATOM 168 CG PHE A 10 -6.837 6.618 -4.413 1.00 0.00 C ATOM 169 CD1 PHE A 10 -7.363 7.917 -4.433 1.00 0.00 C ATOM 170 CD2 PHE A 10 -6.284 6.071 -5.579 1.00 0.00 C ATOM 171 CE1 PHE A 10 -7.337 8.666 -5.616 1.00 0.00 C ATOM 172 CE2 PHE A 10 -6.258 6.821 -6.761 1.00 0.00 C ATOM 173 CZ PHE A 10 -6.784 8.117 -6.780 1.00 0.00 C ATOM 0 H PHE A 10 -6.394 7.699 -1.564 1.00 0.00 H new ATOM 0 HA PHE A 10 -8.833 6.591 -2.732 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -5.883 5.832 -2.661 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -7.073 4.759 -3.371 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -7.789 8.341 -3.535 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -5.878 5.070 -5.566 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -7.743 9.667 -5.631 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -5.831 6.399 -7.659 1.00 0.00 H new ATOM 0 HZ PHE A 10 -6.764 8.695 -7.692 1.00 0.00 H new ATOM 183 N TYR A 11 -9.080 4.346 -1.466 1.00 0.00 N ATOM 184 CA TYR A 11 -9.451 3.269 -0.503 1.00 0.00 C ATOM 185 C TYR A 11 -10.023 2.089 -1.298 1.00 0.00 C ATOM 186 O TYR A 11 -11.093 2.182 -1.865 1.00 0.00 O ATOM 187 CB TYR A 11 -10.518 3.798 0.459 1.00 0.00 C ATOM 188 CG TYR A 11 -11.499 4.658 -0.300 1.00 0.00 C ATOM 189 CD1 TYR A 11 -11.216 6.010 -0.529 1.00 0.00 C ATOM 190 CD2 TYR A 11 -12.694 4.104 -0.775 1.00 0.00 C ATOM 191 CE1 TYR A 11 -12.127 6.807 -1.233 1.00 0.00 C ATOM 192 CE2 TYR A 11 -13.605 4.900 -1.478 1.00 0.00 C ATOM 193 CZ TYR A 11 -13.322 6.252 -1.707 1.00 0.00 C ATOM 194 OH TYR A 11 -14.220 7.037 -2.401 1.00 0.00 O ATOM 0 H TYR A 11 -9.528 4.277 -2.380 1.00 0.00 H new ATOM 0 HA TYR A 11 -8.578 2.952 0.067 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -11.039 2.967 0.934 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -10.050 4.377 1.255 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -10.295 6.438 -0.163 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -12.913 3.061 -0.599 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -11.908 7.850 -1.410 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -14.526 4.472 -1.844 1.00 0.00 H new ATOM 0 HH TYR A 11 -14.996 6.496 -2.659 1.00 0.00 H new ATOM 204 N LYS A 12 -9.326 0.985 -1.362 1.00 0.00 N ATOM 205 CA LYS A 12 -9.854 -0.171 -2.142 1.00 0.00 C ATOM 206 C LYS A 12 -10.145 -1.342 -1.206 1.00 0.00 C ATOM 207 O LYS A 12 -9.890 -1.283 -0.019 1.00 0.00 O ATOM 208 CB LYS A 12 -8.818 -0.597 -3.185 1.00 0.00 C ATOM 209 CG LYS A 12 -9.446 -0.541 -4.579 1.00 0.00 C ATOM 210 CD LYS A 12 -8.527 0.236 -5.524 1.00 0.00 C ATOM 211 CE LYS A 12 -9.311 0.651 -6.770 1.00 0.00 C ATOM 212 NZ LYS A 12 -8.524 1.656 -7.541 1.00 0.00 N ATOM 0 H LYS A 12 -8.423 0.835 -0.912 1.00 0.00 H new ATOM 0 HA LYS A 12 -10.777 0.125 -2.641 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -7.949 0.059 -3.139 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -8.467 -1.607 -2.973 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -9.605 -1.550 -4.958 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -10.424 -0.061 -4.530 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -8.131 1.118 -5.020 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -7.673 -0.380 -5.807 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -9.515 -0.221 -7.391 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -10.275 1.071 -6.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -9.057 1.938 -8.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -8.351 2.492 -6.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -7.615 1.240 -7.827 1.00 0.00 H new ATOM 226 N THR A 13 -10.681 -2.409 -1.733 1.00 0.00 N ATOM 227 CA THR A 13 -10.993 -3.587 -0.879 1.00 0.00 C ATOM 228 C THR A 13 -10.101 -4.761 -1.288 1.00 0.00 C ATOM 229 O THR A 13 -9.048 -4.579 -1.866 1.00 0.00 O ATOM 230 CB THR A 13 -12.464 -3.970 -1.056 1.00 0.00 C ATOM 231 OG1 THR A 13 -12.688 -4.379 -2.398 1.00 0.00 O ATOM 232 CG2 THR A 13 -13.350 -2.766 -0.734 1.00 0.00 C ATOM 0 H THR A 13 -10.916 -2.515 -2.720 1.00 0.00 H new ATOM 0 HA THR A 13 -10.809 -3.340 0.167 1.00 0.00 H new ATOM 0 HB THR A 13 -12.709 -4.789 -0.380 1.00 0.00 H new ATOM 0 HG1 THR A 13 -13.629 -4.626 -2.512 1.00 0.00 H new ATOM 0 HG21 THR A 13 -14.397 -3.041 -0.861 1.00 0.00 H new ATOM 0 HG22 THR A 13 -13.179 -2.453 0.296 1.00 0.00 H new ATOM 0 HG23 THR A 13 -13.106 -1.944 -1.408 1.00 0.00 H new ATOM 240 N CYS A 14 -10.510 -5.964 -0.991 1.00 0.00 N ATOM 241 CA CYS A 14 -9.680 -7.144 -1.365 1.00 0.00 C ATOM 242 C CYS A 14 -10.452 -8.432 -1.065 1.00 0.00 C ATOM 243 O CYS A 14 -11.296 -8.459 -0.192 1.00 0.00 O ATOM 244 CB CYS A 14 -8.382 -7.128 -0.553 1.00 0.00 C ATOM 245 SG CYS A 14 -6.973 -6.939 -1.673 1.00 0.00 S ATOM 0 H CYS A 14 -11.381 -6.181 -0.507 1.00 0.00 H new ATOM 0 HA CYS A 14 -9.448 -7.102 -2.429 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -8.401 -6.310 0.167 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -8.286 -8.052 0.017 1.00 0.00 H new ATOM 250 N PRO A 15 -10.136 -9.465 -1.805 1.00 0.00 N ATOM 251 CA PRO A 15 -10.779 -10.782 -1.649 1.00 0.00 C ATOM 252 C PRO A 15 -10.208 -11.515 -0.433 1.00 0.00 C ATOM 253 O PRO A 15 -9.603 -10.919 0.436 1.00 0.00 O ATOM 254 CB PRO A 15 -10.416 -11.512 -2.947 1.00 0.00 C ATOM 255 CG PRO A 15 -9.150 -10.816 -3.500 1.00 0.00 C ATOM 256 CD PRO A 15 -9.106 -9.415 -2.863 1.00 0.00 C ATOM 0 HA PRO A 15 -11.855 -10.719 -1.486 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -10.227 -12.569 -2.758 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -11.234 -11.458 -3.665 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -8.254 -11.384 -3.249 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -9.189 -10.747 -4.587 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -8.121 -9.196 -2.450 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -9.325 -8.638 -3.595 1.00 0.00 H new ATOM 264 N ALA A 16 -10.395 -12.805 -0.364 1.00 0.00 N ATOM 265 CA ALA A 16 -9.863 -13.574 0.796 1.00 0.00 C ATOM 266 C ALA A 16 -8.641 -14.381 0.356 1.00 0.00 C ATOM 267 O ALA A 16 -8.400 -15.471 0.835 1.00 0.00 O ATOM 268 CB ALA A 16 -10.943 -14.526 1.315 1.00 0.00 C ATOM 0 H ALA A 16 -10.893 -13.359 -1.061 1.00 0.00 H new ATOM 0 HA ALA A 16 -9.576 -12.883 1.589 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -10.554 -15.089 2.164 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -11.814 -13.951 1.629 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -11.231 -15.217 0.522 1.00 0.00 H new ATOM 274 N GLY A 17 -7.866 -13.855 -0.552 1.00 0.00 N ATOM 275 CA GLY A 17 -6.659 -14.593 -1.021 1.00 0.00 C ATOM 276 C GLY A 17 -5.408 -13.982 -0.388 1.00 0.00 C ATOM 277 O GLY A 17 -4.383 -14.623 -0.272 1.00 0.00 O ATOM 0 H GLY A 17 -8.016 -12.946 -0.990 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -6.737 -15.647 -0.753 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -6.590 -14.545 -2.108 1.00 0.00 H new ATOM 281 N LYS A 18 -5.486 -12.746 0.023 1.00 0.00 N ATOM 282 CA LYS A 18 -4.303 -12.093 0.649 1.00 0.00 C ATOM 283 C LYS A 18 -4.662 -11.644 2.067 1.00 0.00 C ATOM 284 O LYS A 18 -5.793 -11.308 2.354 1.00 0.00 O ATOM 285 CB LYS A 18 -3.892 -10.877 -0.184 1.00 0.00 C ATOM 286 CG LYS A 18 -3.034 -11.334 -1.367 1.00 0.00 C ATOM 287 CD LYS A 18 -3.847 -11.227 -2.659 1.00 0.00 C ATOM 288 CE LYS A 18 -3.446 -12.356 -3.610 1.00 0.00 C ATOM 289 NZ LYS A 18 -3.962 -12.061 -4.976 1.00 0.00 N ATOM 0 H LYS A 18 -6.318 -12.160 -0.048 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.475 -12.801 0.690 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -4.778 -10.354 -0.544 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -3.334 -10.172 0.433 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.136 -10.720 -1.438 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -2.705 -12.362 -1.216 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -4.912 -11.286 -2.437 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -3.673 -10.260 -3.132 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -2.361 -12.458 -3.634 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -3.848 -13.305 -3.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -3.690 -12.828 -5.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -4.999 -11.985 -4.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -3.558 -11.164 -5.313 1.00 0.00 H new ATOM 303 N ASN A 19 -3.708 -11.640 2.958 1.00 0.00 N ATOM 304 CA ASN A 19 -3.999 -11.218 4.357 1.00 0.00 C ATOM 305 C ASN A 19 -3.246 -9.924 4.673 1.00 0.00 C ATOM 306 O ASN A 19 -3.124 -9.532 5.816 1.00 0.00 O ATOM 307 CB ASN A 19 -3.553 -12.314 5.326 1.00 0.00 C ATOM 308 CG ASN A 19 -4.469 -13.530 5.182 1.00 0.00 C ATOM 309 OD1 ASN A 19 -5.646 -13.456 5.472 1.00 0.00 O ATOM 310 ND2 ASN A 19 -3.975 -14.655 4.742 1.00 0.00 N ATOM 0 H ASN A 19 -2.741 -11.910 2.778 1.00 0.00 H new ATOM 0 HA ASN A 19 -5.070 -11.049 4.465 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -2.521 -12.597 5.120 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -3.583 -11.942 6.350 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -4.577 -15.472 4.642 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -2.986 -14.717 4.498 1.00 0.00 H new ATOM 317 N LEU A 20 -2.739 -9.255 3.673 1.00 0.00 N ATOM 318 CA LEU A 20 -1.997 -7.990 3.932 1.00 0.00 C ATOM 319 C LEU A 20 -2.354 -6.942 2.876 1.00 0.00 C ATOM 320 O LEU A 20 -3.137 -7.175 1.977 1.00 0.00 O ATOM 321 CB LEU A 20 -0.493 -8.255 3.886 1.00 0.00 C ATOM 322 CG LEU A 20 0.067 -8.280 5.308 1.00 0.00 C ATOM 323 CD1 LEU A 20 1.124 -9.379 5.419 1.00 0.00 C ATOM 324 CD2 LEU A 20 0.708 -6.928 5.626 1.00 0.00 C ATOM 0 H LEU A 20 -2.806 -9.529 2.693 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.276 -7.618 4.918 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.296 -9.205 3.390 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.005 -7.481 3.302 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.740 -8.477 6.013 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.524 -9.398 6.433 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.671 -10.344 5.190 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.931 -9.180 4.714 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.108 -6.944 6.640 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.516 -6.733 4.920 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.042 -6.141 5.545 1.00 0.00 H new ATOM 336 N CYS A 21 -1.762 -5.790 2.988 1.00 0.00 N ATOM 337 CA CYS A 21 -2.027 -4.693 2.015 1.00 0.00 C ATOM 338 C CYS A 21 -0.860 -3.716 2.114 1.00 0.00 C ATOM 339 O CYS A 21 -0.540 -3.240 3.185 1.00 0.00 O ATOM 340 CB CYS A 21 -3.335 -3.988 2.386 1.00 0.00 C ATOM 341 SG CYS A 21 -4.094 -3.270 0.907 1.00 0.00 S ATOM 0 H CYS A 21 -1.095 -5.556 3.723 1.00 0.00 H new ATOM 0 HA CYS A 21 -2.121 -5.079 1.000 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -4.021 -4.697 2.849 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -3.141 -3.207 3.121 1.00 0.00 H new ATOM 346 N TYR A 22 -0.196 -3.430 1.029 1.00 0.00 N ATOM 347 CA TYR A 22 0.966 -2.508 1.127 1.00 0.00 C ATOM 348 C TYR A 22 0.893 -1.413 0.076 1.00 0.00 C ATOM 349 O TYR A 22 0.550 -1.643 -1.066 1.00 0.00 O ATOM 350 CB TYR A 22 2.263 -3.301 0.937 1.00 0.00 C ATOM 351 CG TYR A 22 2.436 -3.646 -0.527 1.00 0.00 C ATOM 352 CD1 TYR A 22 1.559 -4.545 -1.145 1.00 0.00 C ATOM 353 CD2 TYR A 22 3.469 -3.057 -1.266 1.00 0.00 C ATOM 354 CE1 TYR A 22 1.716 -4.857 -2.501 1.00 0.00 C ATOM 355 CE2 TYR A 22 3.626 -3.369 -2.621 1.00 0.00 C ATOM 356 CZ TYR A 22 2.750 -4.269 -3.239 1.00 0.00 C ATOM 357 OH TYR A 22 2.903 -4.575 -4.577 1.00 0.00 O ATOM 0 H TYR A 22 -0.403 -3.787 0.096 1.00 0.00 H new ATOM 0 HA TYR A 22 0.947 -2.042 2.112 1.00 0.00 H new ATOM 0 HB2 TYR A 22 3.114 -2.716 1.286 1.00 0.00 H new ATOM 0 HB3 TYR A 22 2.235 -4.212 1.535 1.00 0.00 H new ATOM 0 HD1 TYR A 22 0.761 -4.998 -0.576 1.00 0.00 H new ATOM 0 HD2 TYR A 22 4.145 -2.362 -0.790 1.00 0.00 H new ATOM 0 HE1 TYR A 22 1.039 -5.551 -2.977 1.00 0.00 H new ATOM 0 HE2 TYR A 22 4.424 -2.915 -3.190 1.00 0.00 H new ATOM 0 HH TYR A 22 3.290 -3.807 -5.046 1.00 0.00 H new ATOM 367 N LYS A 23 1.250 -0.222 0.456 1.00 0.00 N ATOM 368 CA LYS A 23 1.242 0.898 -0.516 1.00 0.00 C ATOM 369 C LYS A 23 2.630 0.988 -1.150 1.00 0.00 C ATOM 370 O LYS A 23 3.612 1.277 -0.486 1.00 0.00 O ATOM 371 CB LYS A 23 0.914 2.218 0.193 1.00 0.00 C ATOM 372 CG LYS A 23 0.159 1.943 1.496 1.00 0.00 C ATOM 373 CD LYS A 23 -0.309 3.266 2.105 1.00 0.00 C ATOM 374 CE LYS A 23 -1.439 3.849 1.255 1.00 0.00 C ATOM 375 NZ LYS A 23 -1.653 5.278 1.621 1.00 0.00 N ATOM 0 H LYS A 23 1.548 0.024 1.400 1.00 0.00 H new ATOM 0 HA LYS A 23 0.483 0.720 -1.278 1.00 0.00 H new ATOM 0 HB2 LYS A 23 1.833 2.764 0.405 1.00 0.00 H new ATOM 0 HB3 LYS A 23 0.311 2.850 -0.459 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -0.697 1.297 1.303 1.00 0.00 H new ATOM 0 HG3 LYS A 23 0.805 1.416 2.198 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -0.654 3.106 3.127 1.00 0.00 H new ATOM 0 HD3 LYS A 23 0.522 3.969 2.155 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -1.191 3.767 0.197 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -2.356 3.281 1.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -2.386 5.687 1.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -1.957 5.340 2.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -0.765 5.805 1.497 1.00 0.00 H new ATOM 389 N MET A 24 2.723 0.730 -2.426 1.00 0.00 N ATOM 390 CA MET A 24 4.043 0.795 -3.109 1.00 0.00 C ATOM 391 C MET A 24 4.348 2.250 -3.462 1.00 0.00 C ATOM 392 O MET A 24 3.768 2.809 -4.373 1.00 0.00 O ATOM 393 CB MET A 24 3.999 -0.042 -4.390 1.00 0.00 C ATOM 394 CG MET A 24 5.382 -0.048 -5.043 1.00 0.00 C ATOM 395 SD MET A 24 5.254 0.589 -6.733 1.00 0.00 S ATOM 396 CE MET A 24 6.800 1.529 -6.739 1.00 0.00 C ATOM 0 H MET A 24 1.938 0.476 -3.026 1.00 0.00 H new ATOM 0 HA MET A 24 4.818 0.404 -2.450 1.00 0.00 H new ATOM 0 HB2 MET A 24 3.689 -1.061 -4.160 1.00 0.00 H new ATOM 0 HB3 MET A 24 3.261 0.368 -5.080 1.00 0.00 H new ATOM 0 HG2 MET A 24 6.072 0.565 -4.463 1.00 0.00 H new ATOM 0 HG3 MET A 24 5.786 -1.060 -5.054 1.00 0.00 H new ATOM 0 HE1 MET A 24 6.639 2.492 -7.224 1.00 0.00 H new ATOM 0 HE2 MET A 24 7.131 1.691 -5.713 1.00 0.00 H new ATOM 0 HE3 MET A 24 7.563 0.972 -7.283 1.00 0.00 H new ATOM 406 N PHE A 25 5.249 2.866 -2.746 1.00 0.00 N ATOM 407 CA PHE A 25 5.593 4.287 -3.032 1.00 0.00 C ATOM 408 C PHE A 25 7.032 4.368 -3.548 1.00 0.00 C ATOM 409 O PHE A 25 7.591 3.393 -4.012 1.00 0.00 O ATOM 410 CB PHE A 25 5.466 5.114 -1.746 1.00 0.00 C ATOM 411 CG PHE A 25 4.047 5.053 -1.218 1.00 0.00 C ATOM 412 CD1 PHE A 25 3.000 4.607 -2.036 1.00 0.00 C ATOM 413 CD2 PHE A 25 3.782 5.448 0.099 1.00 0.00 C ATOM 414 CE1 PHE A 25 1.693 4.557 -1.536 1.00 0.00 C ATOM 415 CE2 PHE A 25 2.475 5.398 0.598 1.00 0.00 C ATOM 416 CZ PHE A 25 1.430 4.952 -0.220 1.00 0.00 C ATOM 0 H PHE A 25 5.763 2.444 -1.973 1.00 0.00 H new ATOM 0 HA PHE A 25 4.912 4.681 -3.786 1.00 0.00 H new ATOM 0 HB2 PHE A 25 6.158 4.736 -0.993 1.00 0.00 H new ATOM 0 HB3 PHE A 25 5.744 6.150 -1.943 1.00 0.00 H new ATOM 0 HD1 PHE A 25 3.201 4.302 -3.052 1.00 0.00 H new ATOM 0 HD2 PHE A 25 4.587 5.792 0.731 1.00 0.00 H new ATOM 0 HE1 PHE A 25 0.887 4.213 -2.167 1.00 0.00 H new ATOM 0 HE2 PHE A 25 2.273 5.703 1.614 1.00 0.00 H new ATOM 0 HZ PHE A 25 0.422 4.913 0.165 1.00 0.00 H new ATOM 426 N MET A 26 7.640 5.522 -3.472 1.00 0.00 N ATOM 427 CA MET A 26 9.041 5.661 -3.956 1.00 0.00 C ATOM 428 C MET A 26 9.782 6.679 -3.085 1.00 0.00 C ATOM 429 O MET A 26 9.183 7.545 -2.480 1.00 0.00 O ATOM 430 CB MET A 26 9.037 6.142 -5.409 1.00 0.00 C ATOM 431 CG MET A 26 8.562 5.007 -6.319 1.00 0.00 C ATOM 432 SD MET A 26 8.732 5.511 -8.049 1.00 0.00 S ATOM 433 CE MET A 26 10.267 4.617 -8.394 1.00 0.00 C ATOM 0 H MET A 26 7.225 6.374 -3.095 1.00 0.00 H new ATOM 0 HA MET A 26 9.542 4.695 -3.896 1.00 0.00 H new ATOM 0 HB2 MET A 26 8.382 7.007 -5.516 1.00 0.00 H new ATOM 0 HB3 MET A 26 10.037 6.462 -5.700 1.00 0.00 H new ATOM 0 HG2 MET A 26 9.148 4.107 -6.132 1.00 0.00 H new ATOM 0 HG3 MET A 26 7.523 4.762 -6.101 1.00 0.00 H new ATOM 0 HE1 MET A 26 10.564 4.789 -9.429 1.00 0.00 H new ATOM 0 HE2 MET A 26 11.053 4.972 -7.727 1.00 0.00 H new ATOM 0 HE3 MET A 26 10.111 3.550 -8.234 1.00 0.00 H new ATOM 443 N VAL A 27 11.082 6.582 -3.017 1.00 0.00 N ATOM 444 CA VAL A 27 11.860 7.542 -2.184 1.00 0.00 C ATOM 445 C VAL A 27 12.904 8.244 -3.054 1.00 0.00 C ATOM 446 O VAL A 27 14.065 8.321 -2.706 1.00 0.00 O ATOM 447 CB VAL A 27 12.565 6.782 -1.059 1.00 0.00 C ATOM 448 CG1 VAL A 27 13.238 7.778 -0.111 1.00 0.00 C ATOM 449 CG2 VAL A 27 11.537 5.955 -0.283 1.00 0.00 C ATOM 0 H VAL A 27 11.639 5.879 -3.503 1.00 0.00 H new ATOM 0 HA VAL A 27 11.185 8.284 -1.757 1.00 0.00 H new ATOM 0 HB VAL A 27 13.320 6.121 -1.485 1.00 0.00 H new ATOM 0 HG11 VAL A 27 13.740 7.236 0.690 1.00 0.00 H new ATOM 0 HG12 VAL A 27 13.969 8.369 -0.663 1.00 0.00 H new ATOM 0 HG13 VAL A 27 12.485 8.440 0.316 1.00 0.00 H new ATOM 0 HG21 VAL A 27 12.037 5.413 0.519 1.00 0.00 H new ATOM 0 HG22 VAL A 27 10.783 6.618 0.142 1.00 0.00 H new ATOM 0 HG23 VAL A 27 11.058 5.245 -0.957 1.00 0.00 H new ATOM 459 N SER A 28 12.502 8.756 -4.185 1.00 0.00 N ATOM 460 CA SER A 28 13.476 9.449 -5.075 1.00 0.00 C ATOM 461 C SER A 28 12.986 10.869 -5.370 1.00 0.00 C ATOM 462 O SER A 28 13.767 11.764 -5.622 1.00 0.00 O ATOM 463 CB SER A 28 13.609 8.673 -6.386 1.00 0.00 C ATOM 464 OG SER A 28 13.306 7.304 -6.152 1.00 0.00 O ATOM 0 H SER A 28 11.543 8.725 -4.531 1.00 0.00 H new ATOM 0 HA SER A 28 14.446 9.498 -4.580 1.00 0.00 H new ATOM 0 HB2 SER A 28 12.933 9.084 -7.136 1.00 0.00 H new ATOM 0 HB3 SER A 28 14.621 8.772 -6.780 1.00 0.00 H new ATOM 0 HG SER A 28 13.388 6.803 -6.990 1.00 0.00 H new ATOM 470 N ASN A 29 11.699 11.084 -5.342 1.00 0.00 N ATOM 471 CA ASN A 29 11.166 12.448 -5.625 1.00 0.00 C ATOM 472 C ASN A 29 10.115 12.818 -4.575 1.00 0.00 C ATOM 473 O ASN A 29 9.994 12.177 -3.551 1.00 0.00 O ATOM 474 CB ASN A 29 10.526 12.466 -7.014 1.00 0.00 C ATOM 475 CG ASN A 29 11.232 13.504 -7.890 1.00 0.00 C ATOM 476 OD1 ASN A 29 10.906 14.673 -7.847 1.00 0.00 O ATOM 477 ND2 ASN A 29 12.192 13.123 -8.687 1.00 0.00 N ATOM 0 H ASN A 29 10.994 10.376 -5.136 1.00 0.00 H new ATOM 0 HA ASN A 29 11.982 13.170 -5.589 1.00 0.00 H new ATOM 0 HB2 ASN A 29 10.598 11.479 -7.472 1.00 0.00 H new ATOM 0 HB3 ASN A 29 9.465 12.704 -6.934 1.00 0.00 H new ATOM 0 HD21 ASN A 29 12.669 13.807 -9.274 1.00 0.00 H new ATOM 0 HD22 ASN A 29 12.466 12.141 -8.723 1.00 0.00 H new ATOM 484 N LEU A 30 9.353 13.850 -4.825 1.00 0.00 N ATOM 485 CA LEU A 30 8.309 14.260 -3.844 1.00 0.00 C ATOM 486 C LEU A 30 6.978 13.600 -4.212 1.00 0.00 C ATOM 487 O LEU A 30 6.148 14.184 -4.879 1.00 0.00 O ATOM 488 CB LEU A 30 8.149 15.783 -3.877 1.00 0.00 C ATOM 489 CG LEU A 30 9.526 16.444 -3.803 1.00 0.00 C ATOM 490 CD1 LEU A 30 9.379 17.956 -3.990 1.00 0.00 C ATOM 491 CD2 LEU A 30 10.157 16.159 -2.438 1.00 0.00 C ATOM 0 H LEU A 30 9.409 14.425 -5.665 1.00 0.00 H new ATOM 0 HA LEU A 30 8.606 13.947 -2.843 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.638 16.086 -4.791 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.531 16.112 -3.042 1.00 0.00 H new ATOM 0 HG LEU A 30 10.163 16.041 -4.590 1.00 0.00 H new ATOM 0 HD11 LEU A 30 10.361 18.426 -3.937 1.00 0.00 H new ATOM 0 HD12 LEU A 30 8.931 18.160 -4.962 1.00 0.00 H new ATOM 0 HD13 LEU A 30 8.741 18.359 -3.204 1.00 0.00 H new ATOM 0 HD21 LEU A 30 11.138 16.630 -2.385 1.00 0.00 H new ATOM 0 HD22 LEU A 30 9.519 16.561 -1.651 1.00 0.00 H new ATOM 0 HD23 LEU A 30 10.264 15.083 -2.304 1.00 0.00 H new ATOM 503 N THR A 31 6.770 12.387 -3.781 1.00 0.00 N ATOM 504 CA THR A 31 5.495 11.688 -4.105 1.00 0.00 C ATOM 505 C THR A 31 5.281 10.541 -3.116 1.00 0.00 C ATOM 506 O THR A 31 5.167 9.392 -3.497 1.00 0.00 O ATOM 507 CB THR A 31 5.558 11.127 -5.530 1.00 0.00 C ATOM 508 OG1 THR A 31 6.834 11.402 -6.094 1.00 0.00 O ATOM 509 CG2 THR A 31 4.470 11.778 -6.384 1.00 0.00 C ATOM 0 H THR A 31 7.429 11.849 -3.218 1.00 0.00 H new ATOM 0 HA THR A 31 4.668 12.394 -4.033 1.00 0.00 H new ATOM 0 HB THR A 31 5.400 10.049 -5.502 1.00 0.00 H new ATOM 0 HG1 THR A 31 6.874 11.042 -7.004 1.00 0.00 H new ATOM 0 HG21 THR A 31 4.515 11.379 -7.397 1.00 0.00 H new ATOM 0 HG22 THR A 31 3.492 11.564 -5.953 1.00 0.00 H new ATOM 0 HG23 THR A 31 4.626 12.856 -6.412 1.00 0.00 H new ATOM 517 N VAL A 32 5.231 10.842 -1.847 1.00 0.00 N ATOM 518 CA VAL A 32 5.033 9.770 -0.836 1.00 0.00 C ATOM 519 C VAL A 32 3.921 8.813 -1.299 1.00 0.00 C ATOM 520 O VAL A 32 4.109 7.614 -1.283 1.00 0.00 O ATOM 521 CB VAL A 32 4.685 10.397 0.524 1.00 0.00 C ATOM 522 CG1 VAL A 32 3.960 9.377 1.408 1.00 0.00 C ATOM 523 CG2 VAL A 32 5.977 10.832 1.219 1.00 0.00 C ATOM 0 H VAL A 32 5.319 11.785 -1.468 1.00 0.00 H new ATOM 0 HA VAL A 32 5.954 9.198 -0.727 1.00 0.00 H new ATOM 0 HB VAL A 32 4.034 11.257 0.364 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.719 9.834 2.368 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.041 9.058 0.917 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.604 8.512 1.569 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.738 11.278 2.185 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.619 9.964 1.369 1.00 0.00 H new ATOM 0 HG23 VAL A 32 6.495 11.564 0.599 1.00 0.00 H new ATOM 533 N PRO A 33 2.797 9.360 -1.702 1.00 0.00 N ATOM 534 CA PRO A 33 1.659 8.548 -2.173 1.00 0.00 C ATOM 535 C PRO A 33 1.909 8.073 -3.608 1.00 0.00 C ATOM 536 O PRO A 33 2.272 8.847 -4.472 1.00 0.00 O ATOM 537 CB PRO A 33 0.476 9.518 -2.116 1.00 0.00 C ATOM 538 CG PRO A 33 1.077 10.942 -2.168 1.00 0.00 C ATOM 539 CD PRO A 33 2.547 10.818 -1.728 1.00 0.00 C ATOM 0 HA PRO A 33 1.493 7.650 -1.577 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -0.203 9.352 -2.952 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -0.102 9.373 -1.203 1.00 0.00 H new ATOM 0 HG2 PRO A 33 1.008 11.355 -3.174 1.00 0.00 H new ATOM 0 HG3 PRO A 33 0.531 11.617 -1.509 1.00 0.00 H new ATOM 0 HD2 PRO A 33 3.215 11.324 -2.425 1.00 0.00 H new ATOM 0 HD3 PRO A 33 2.709 11.267 -0.748 1.00 0.00 H new ATOM 547 N VAL A 34 1.720 6.808 -3.872 1.00 0.00 N ATOM 548 CA VAL A 34 1.955 6.302 -5.254 1.00 0.00 C ATOM 549 C VAL A 34 0.934 5.213 -5.600 1.00 0.00 C ATOM 550 O VAL A 34 0.066 5.410 -6.429 1.00 0.00 O ATOM 551 CB VAL A 34 3.367 5.730 -5.359 1.00 0.00 C ATOM 552 CG1 VAL A 34 3.711 5.487 -6.830 1.00 0.00 C ATOM 553 CG2 VAL A 34 4.365 6.723 -4.760 1.00 0.00 C ATOM 0 H VAL A 34 1.415 6.108 -3.196 1.00 0.00 H new ATOM 0 HA VAL A 34 1.843 7.129 -5.955 1.00 0.00 H new ATOM 0 HB VAL A 34 3.419 4.788 -4.813 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.719 5.079 -6.905 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.000 4.780 -7.258 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.659 6.429 -7.376 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.373 6.315 -4.835 1.00 0.00 H new ATOM 0 HG22 VAL A 34 4.313 7.665 -5.306 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.121 6.897 -3.712 1.00 0.00 H new ATOM 563 N LYS A 35 1.026 4.063 -4.983 1.00 0.00 N ATOM 564 CA LYS A 35 0.052 2.975 -5.300 1.00 0.00 C ATOM 565 C LYS A 35 -0.046 1.994 -4.127 1.00 0.00 C ATOM 566 O LYS A 35 0.654 2.117 -3.142 1.00 0.00 O ATOM 567 CB LYS A 35 0.519 2.227 -6.550 1.00 0.00 C ATOM 568 CG LYS A 35 -0.003 2.941 -7.799 1.00 0.00 C ATOM 569 CD LYS A 35 1.163 3.607 -8.533 1.00 0.00 C ATOM 570 CE LYS A 35 0.803 3.786 -10.008 1.00 0.00 C ATOM 571 NZ LYS A 35 2.030 4.132 -10.781 1.00 0.00 N ATOM 0 H LYS A 35 1.727 3.831 -4.279 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.929 3.416 -5.476 1.00 0.00 H new ATOM 0 HB2 LYS A 35 1.608 2.181 -6.573 1.00 0.00 H new ATOM 0 HB3 LYS A 35 0.157 1.199 -6.528 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -0.501 2.228 -8.457 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.745 3.689 -7.520 1.00 0.00 H new ATOM 0 HD2 LYS A 35 1.385 4.574 -8.082 1.00 0.00 H new ATOM 0 HD3 LYS A 35 2.062 2.997 -8.439 1.00 0.00 H new ATOM 0 HE2 LYS A 35 0.360 2.870 -10.399 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.057 4.573 -10.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 1.785 4.254 -11.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 2.434 5.017 -10.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 2.728 3.367 -10.685 1.00 0.00 H new ATOM 585 N ARG A 36 -0.916 1.020 -4.229 1.00 0.00 N ATOM 586 CA ARG A 36 -1.068 0.023 -3.127 1.00 0.00 C ATOM 587 C ARG A 36 -1.761 -1.232 -3.664 1.00 0.00 C ATOM 588 O ARG A 36 -2.408 -1.202 -4.692 1.00 0.00 O ATOM 589 CB ARG A 36 -1.909 0.633 -2.002 1.00 0.00 C ATOM 590 CG ARG A 36 -2.306 -0.460 -1.006 1.00 0.00 C ATOM 591 CD ARG A 36 -2.910 0.186 0.244 1.00 0.00 C ATOM 592 NE ARG A 36 -2.199 -0.314 1.455 1.00 0.00 N ATOM 593 CZ ARG A 36 -2.429 0.229 2.622 1.00 0.00 C ATOM 594 NH1 ARG A 36 -3.242 1.246 2.724 1.00 0.00 N ATOM 595 NH2 ARG A 36 -1.843 -0.246 3.687 1.00 0.00 N ATOM 0 H ARG A 36 -1.529 0.873 -5.031 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.085 -0.246 -2.741 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -1.343 1.414 -1.494 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.801 1.104 -2.415 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -3.027 -1.139 -1.462 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.434 -1.055 -0.736 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -2.826 1.271 0.182 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -3.972 -0.048 0.310 1.00 0.00 H new ATOM 0 HE ARG A 36 -1.532 -1.081 1.373 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -3.699 1.619 1.892 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -3.420 1.668 3.636 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -1.207 -1.039 3.608 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -2.021 0.176 4.598 1.00 0.00 H new ATOM 609 N GLY A 37 -1.631 -2.337 -2.978 1.00 0.00 N ATOM 610 CA GLY A 37 -2.284 -3.592 -3.452 1.00 0.00 C ATOM 611 C GLY A 37 -2.408 -4.582 -2.289 1.00 0.00 C ATOM 612 O GLY A 37 -2.111 -4.263 -1.154 1.00 0.00 O ATOM 0 H GLY A 37 -1.101 -2.424 -2.111 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.270 -3.369 -3.859 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.700 -4.035 -4.258 1.00 0.00 H new ATOM 616 N CYS A 38 -2.842 -5.784 -2.566 1.00 0.00 N ATOM 617 CA CYS A 38 -2.983 -6.800 -1.483 1.00 0.00 C ATOM 618 C CYS A 38 -1.656 -7.541 -1.304 1.00 0.00 C ATOM 619 O CYS A 38 -0.724 -7.346 -2.058 1.00 0.00 O ATOM 620 CB CYS A 38 -4.078 -7.799 -1.859 1.00 0.00 C ATOM 621 SG CYS A 38 -5.417 -7.714 -0.645 1.00 0.00 S ATOM 0 H CYS A 38 -3.105 -6.106 -3.498 1.00 0.00 H new ATOM 0 HA CYS A 38 -3.251 -6.302 -0.551 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -4.461 -7.577 -2.855 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -3.668 -8.808 -1.893 1.00 0.00 H new ATOM 626 N ILE A 39 -1.559 -8.388 -0.312 1.00 0.00 N ATOM 627 CA ILE A 39 -0.282 -9.130 -0.095 1.00 0.00 C ATOM 628 C ILE A 39 -0.551 -10.410 0.705 1.00 0.00 C ATOM 629 O ILE A 39 -1.513 -10.514 1.437 1.00 0.00 O ATOM 630 CB ILE A 39 0.699 -8.222 0.670 1.00 0.00 C ATOM 631 CG1 ILE A 39 1.562 -7.451 -0.326 1.00 0.00 C ATOM 632 CG2 ILE A 39 1.623 -9.043 1.582 1.00 0.00 C ATOM 633 CD1 ILE A 39 2.585 -6.619 0.445 1.00 0.00 C ATOM 0 H ILE A 39 -2.304 -8.597 0.353 1.00 0.00 H new ATOM 0 HA ILE A 39 0.152 -9.407 -1.056 1.00 0.00 H new ATOM 0 HB ILE A 39 0.113 -7.538 1.284 1.00 0.00 H new ATOM 0 HG12 ILE A 39 2.069 -8.142 -0.999 1.00 0.00 H new ATOM 0 HG13 ILE A 39 0.938 -6.804 -0.943 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.303 -8.373 2.108 1.00 0.00 H new ATOM 0 HG22 ILE A 39 1.023 -9.594 2.307 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.199 -9.745 0.979 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.207 -6.064 -0.258 1.00 0.00 H new ATOM 0 HD12 ILE A 39 2.066 -5.920 1.100 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.214 -7.278 1.043 1.00 0.00 H new ATOM 645 N ASP A 40 0.320 -11.369 0.581 1.00 0.00 N ATOM 646 CA ASP A 40 0.162 -12.641 1.342 1.00 0.00 C ATOM 647 C ASP A 40 1.334 -12.761 2.318 1.00 0.00 C ATOM 648 O ASP A 40 1.232 -13.374 3.363 1.00 0.00 O ATOM 649 CB ASP A 40 0.169 -13.826 0.373 1.00 0.00 C ATOM 650 CG ASP A 40 -0.724 -14.944 0.920 1.00 0.00 C ATOM 651 OD1 ASP A 40 -1.115 -14.855 2.073 1.00 0.00 O ATOM 652 OD2 ASP A 40 -1.002 -15.870 0.176 1.00 0.00 O ATOM 0 H ASP A 40 1.143 -11.328 -0.020 1.00 0.00 H new ATOM 0 HA ASP A 40 -0.782 -12.642 1.887 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -0.187 -13.509 -0.607 1.00 0.00 H new ATOM 0 HB3 ASP A 40 1.187 -14.193 0.239 1.00 0.00 H new ATOM 657 N VAL A 41 2.443 -12.162 1.981 1.00 0.00 N ATOM 658 CA VAL A 41 3.636 -12.207 2.871 1.00 0.00 C ATOM 659 C VAL A 41 4.398 -10.887 2.722 1.00 0.00 C ATOM 660 O VAL A 41 4.652 -10.434 1.623 1.00 0.00 O ATOM 661 CB VAL A 41 4.541 -13.372 2.465 1.00 0.00 C ATOM 662 CG1 VAL A 41 4.083 -14.647 3.176 1.00 0.00 C ATOM 663 CG2 VAL A 41 4.458 -13.578 0.951 1.00 0.00 C ATOM 0 H VAL A 41 2.574 -11.637 1.116 1.00 0.00 H new ATOM 0 HA VAL A 41 3.326 -12.348 3.906 1.00 0.00 H new ATOM 0 HB VAL A 41 5.570 -13.147 2.747 1.00 0.00 H new ATOM 0 HG11 VAL A 41 4.728 -15.477 2.887 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.140 -14.502 4.255 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.054 -14.871 2.894 1.00 0.00 H new ATOM 0 HG21 VAL A 41 5.102 -14.408 0.661 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.429 -13.802 0.670 1.00 0.00 H new ATOM 0 HG23 VAL A 41 4.783 -12.671 0.442 1.00 0.00 H new ATOM 673 N CYS A 42 4.747 -10.256 3.808 1.00 0.00 N ATOM 674 CA CYS A 42 5.474 -8.957 3.705 1.00 0.00 C ATOM 675 C CYS A 42 6.925 -9.123 4.169 1.00 0.00 C ATOM 676 O CYS A 42 7.206 -9.060 5.350 1.00 0.00 O ATOM 677 CB CYS A 42 4.779 -7.917 4.585 1.00 0.00 C ATOM 678 SG CYS A 42 5.624 -6.326 4.414 1.00 0.00 S ATOM 0 H CYS A 42 4.563 -10.580 4.758 1.00 0.00 H new ATOM 0 HA CYS A 42 5.468 -8.629 2.666 1.00 0.00 H new ATOM 0 HB2 CYS A 42 3.733 -7.819 4.295 1.00 0.00 H new ATOM 0 HB3 CYS A 42 4.792 -8.238 5.626 1.00 0.00 H new ATOM 683 N PRO A 43 7.808 -9.315 3.221 1.00 0.00 N ATOM 684 CA PRO A 43 9.245 -9.478 3.498 1.00 0.00 C ATOM 685 C PRO A 43 9.888 -8.110 3.754 1.00 0.00 C ATOM 686 O PRO A 43 9.219 -7.156 4.098 1.00 0.00 O ATOM 687 CB PRO A 43 9.789 -10.105 2.210 1.00 0.00 C ATOM 688 CG PRO A 43 8.783 -9.745 1.091 1.00 0.00 C ATOM 689 CD PRO A 43 7.456 -9.393 1.789 1.00 0.00 C ATOM 0 HA PRO A 43 9.451 -10.085 4.379 1.00 0.00 H new ATOM 0 HB2 PRO A 43 10.782 -9.719 1.979 1.00 0.00 H new ATOM 0 HB3 PRO A 43 9.884 -11.186 2.314 1.00 0.00 H new ATOM 0 HG2 PRO A 43 9.145 -8.904 0.500 1.00 0.00 H new ATOM 0 HG3 PRO A 43 8.650 -10.582 0.405 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.054 -8.447 1.426 1.00 0.00 H new ATOM 0 HD3 PRO A 43 6.696 -10.153 1.607 1.00 0.00 H new ATOM 697 N LYS A 44 11.177 -8.005 3.586 1.00 0.00 N ATOM 698 CA LYS A 44 11.852 -6.696 3.817 1.00 0.00 C ATOM 699 C LYS A 44 11.397 -5.694 2.753 1.00 0.00 C ATOM 700 O LYS A 44 10.482 -5.953 1.997 1.00 0.00 O ATOM 701 CB LYS A 44 13.368 -6.880 3.731 1.00 0.00 C ATOM 702 CG LYS A 44 13.801 -8.001 4.676 1.00 0.00 C ATOM 703 CD LYS A 44 13.182 -7.772 6.057 1.00 0.00 C ATOM 704 CE LYS A 44 14.155 -8.243 7.138 1.00 0.00 C ATOM 705 NZ LYS A 44 14.151 -7.271 8.268 1.00 0.00 N ATOM 0 H LYS A 44 11.792 -8.767 3.299 1.00 0.00 H new ATOM 0 HA LYS A 44 11.589 -6.321 4.806 1.00 0.00 H new ATOM 0 HB2 LYS A 44 13.658 -7.120 2.708 1.00 0.00 H new ATOM 0 HB3 LYS A 44 13.873 -5.951 3.996 1.00 0.00 H new ATOM 0 HG2 LYS A 44 13.486 -8.967 4.280 1.00 0.00 H new ATOM 0 HG3 LYS A 44 14.888 -8.027 4.753 1.00 0.00 H new ATOM 0 HD2 LYS A 44 12.954 -6.715 6.194 1.00 0.00 H new ATOM 0 HD3 LYS A 44 12.240 -8.315 6.139 1.00 0.00 H new ATOM 0 HE2 LYS A 44 13.868 -9.232 7.494 1.00 0.00 H new ATOM 0 HE3 LYS A 44 15.160 -8.332 6.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 14.813 -7.591 9.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 14.444 -6.335 7.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 13.193 -7.208 8.668 1.00 0.00 H new ATOM 719 N ASN A 45 12.026 -4.553 2.688 1.00 0.00 N ATOM 720 CA ASN A 45 11.625 -3.539 1.672 1.00 0.00 C ATOM 721 C ASN A 45 12.821 -3.214 0.773 1.00 0.00 C ATOM 722 O ASN A 45 13.937 -3.613 1.042 1.00 0.00 O ATOM 723 CB ASN A 45 11.161 -2.264 2.381 1.00 0.00 C ATOM 724 CG ASN A 45 9.910 -2.566 3.208 1.00 0.00 C ATOM 725 OD1 ASN A 45 9.432 -3.683 3.221 1.00 0.00 O ATOM 726 ND2 ASN A 45 9.357 -1.610 3.904 1.00 0.00 N ATOM 0 H ASN A 45 12.800 -4.279 3.294 1.00 0.00 H new ATOM 0 HA ASN A 45 10.812 -3.936 1.065 1.00 0.00 H new ATOM 0 HB2 ASN A 45 11.954 -1.885 3.026 1.00 0.00 H new ATOM 0 HB3 ASN A 45 10.947 -1.486 1.649 1.00 0.00 H new ATOM 0 HD21 ASN A 45 8.523 -1.800 4.459 1.00 0.00 H new ATOM 0 HD22 ASN A 45 9.759 -0.673 3.892 1.00 0.00 H new ATOM 733 N SER A 46 12.597 -2.493 -0.292 1.00 0.00 N ATOM 734 CA SER A 46 13.723 -2.145 -1.204 1.00 0.00 C ATOM 735 C SER A 46 14.109 -0.679 -0.997 1.00 0.00 C ATOM 736 O SER A 46 13.373 0.089 -0.411 1.00 0.00 O ATOM 737 CB SER A 46 13.290 -2.356 -2.655 1.00 0.00 C ATOM 738 OG SER A 46 12.533 -3.555 -2.750 1.00 0.00 O ATOM 0 H SER A 46 11.685 -2.131 -0.569 1.00 0.00 H new ATOM 0 HA SER A 46 14.579 -2.783 -0.984 1.00 0.00 H new ATOM 0 HB2 SER A 46 12.695 -1.509 -2.996 1.00 0.00 H new ATOM 0 HB3 SER A 46 14.165 -2.412 -3.303 1.00 0.00 H new ATOM 0 HG SER A 46 12.253 -3.692 -3.679 1.00 0.00 H new ATOM 744 N ALA A 47 15.258 -0.286 -1.473 1.00 0.00 N ATOM 745 CA ALA A 47 15.690 1.129 -1.302 1.00 0.00 C ATOM 746 C ALA A 47 15.185 1.962 -2.482 1.00 0.00 C ATOM 747 O ALA A 47 15.719 3.010 -2.787 1.00 0.00 O ATOM 748 CB ALA A 47 17.217 1.193 -1.249 1.00 0.00 C ATOM 0 H ALA A 47 15.916 -0.884 -1.973 1.00 0.00 H new ATOM 0 HA ALA A 47 15.278 1.526 -0.374 1.00 0.00 H new ATOM 0 HB1 ALA A 47 17.534 2.228 -1.124 1.00 0.00 H new ATOM 0 HB2 ALA A 47 17.577 0.599 -0.409 1.00 0.00 H new ATOM 0 HB3 ALA A 47 17.630 0.797 -2.177 1.00 0.00 H new ATOM 754 N LEU A 48 14.161 1.506 -3.149 1.00 0.00 N ATOM 755 CA LEU A 48 13.629 2.274 -4.309 1.00 0.00 C ATOM 756 C LEU A 48 12.111 2.427 -4.175 1.00 0.00 C ATOM 757 O LEU A 48 11.546 3.437 -4.546 1.00 0.00 O ATOM 758 CB LEU A 48 13.953 1.529 -5.604 1.00 0.00 C ATOM 759 CG LEU A 48 15.103 2.235 -6.321 1.00 0.00 C ATOM 760 CD1 LEU A 48 15.883 1.220 -7.158 1.00 0.00 C ATOM 761 CD2 LEU A 48 14.538 3.325 -7.233 1.00 0.00 C ATOM 0 H LEU A 48 13.670 0.636 -2.941 1.00 0.00 H new ATOM 0 HA LEU A 48 14.090 3.261 -4.330 1.00 0.00 H new ATOM 0 HB2 LEU A 48 14.226 0.497 -5.384 1.00 0.00 H new ATOM 0 HB3 LEU A 48 13.074 1.496 -6.248 1.00 0.00 H new ATOM 0 HG LEU A 48 15.770 2.685 -5.586 1.00 0.00 H new ATOM 0 HD11 LEU A 48 16.703 1.724 -7.669 1.00 0.00 H new ATOM 0 HD12 LEU A 48 16.284 0.443 -6.507 1.00 0.00 H new ATOM 0 HD13 LEU A 48 15.219 0.769 -7.895 1.00 0.00 H new ATOM 0 HD21 LEU A 48 15.356 3.830 -7.746 1.00 0.00 H new ATOM 0 HD22 LEU A 48 13.872 2.875 -7.969 1.00 0.00 H new ATOM 0 HD23 LEU A 48 13.983 4.048 -6.635 1.00 0.00 H new ATOM 773 N VAL A 49 11.446 1.437 -3.647 1.00 0.00 N ATOM 774 CA VAL A 49 9.966 1.537 -3.494 1.00 0.00 C ATOM 775 C VAL A 49 9.598 1.451 -2.015 1.00 0.00 C ATOM 776 O VAL A 49 10.030 0.561 -1.309 1.00 0.00 O ATOM 777 CB VAL A 49 9.291 0.390 -4.249 1.00 0.00 C ATOM 778 CG1 VAL A 49 9.756 0.393 -5.704 1.00 0.00 C ATOM 779 CG2 VAL A 49 9.667 -0.942 -3.594 1.00 0.00 C ATOM 0 H VAL A 49 11.861 0.566 -3.316 1.00 0.00 H new ATOM 0 HA VAL A 49 9.627 2.490 -3.901 1.00 0.00 H new ATOM 0 HB VAL A 49 8.209 0.519 -4.215 1.00 0.00 H new ATOM 0 HG11 VAL A 49 9.275 -0.424 -6.241 1.00 0.00 H new ATOM 0 HG12 VAL A 49 9.488 1.341 -6.170 1.00 0.00 H new ATOM 0 HG13 VAL A 49 10.838 0.264 -5.741 1.00 0.00 H new ATOM 0 HG21 VAL A 49 9.187 -1.760 -4.131 1.00 0.00 H new ATOM 0 HG22 VAL A 49 10.749 -1.072 -3.628 1.00 0.00 H new ATOM 0 HG23 VAL A 49 9.334 -0.944 -2.556 1.00 0.00 H new ATOM 789 N LYS A 50 8.798 2.364 -1.539 1.00 0.00 N ATOM 790 CA LYS A 50 8.400 2.322 -0.106 1.00 0.00 C ATOM 791 C LYS A 50 7.285 1.296 0.070 1.00 0.00 C ATOM 792 O LYS A 50 6.123 1.578 -0.144 1.00 0.00 O ATOM 793 CB LYS A 50 7.894 3.692 0.332 1.00 0.00 C ATOM 794 CG LYS A 50 8.753 4.211 1.488 1.00 0.00 C ATOM 795 CD LYS A 50 8.905 3.112 2.543 1.00 0.00 C ATOM 796 CE LYS A 50 9.167 3.747 3.910 1.00 0.00 C ATOM 797 NZ LYS A 50 8.691 2.829 4.982 1.00 0.00 N ATOM 0 H LYS A 50 8.404 3.135 -2.079 1.00 0.00 H new ATOM 0 HA LYS A 50 9.262 2.047 0.502 1.00 0.00 H new ATOM 0 HB2 LYS A 50 7.932 4.390 -0.505 1.00 0.00 H new ATOM 0 HB3 LYS A 50 6.851 3.624 0.642 1.00 0.00 H new ATOM 0 HG2 LYS A 50 9.733 4.514 1.120 1.00 0.00 H new ATOM 0 HG3 LYS A 50 8.291 5.094 1.931 1.00 0.00 H new ATOM 0 HD2 LYS A 50 8.002 2.502 2.581 1.00 0.00 H new ATOM 0 HD3 LYS A 50 9.727 2.448 2.275 1.00 0.00 H new ATOM 0 HE2 LYS A 50 10.232 3.946 4.033 1.00 0.00 H new ATOM 0 HE3 LYS A 50 8.653 4.706 3.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 8.869 3.260 5.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 7.671 2.661 4.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 9.201 1.925 4.916 1.00 0.00 H new ATOM 811 N TYR A 51 7.636 0.108 0.457 1.00 0.00 N ATOM 812 CA TYR A 51 6.609 -0.951 0.651 1.00 0.00 C ATOM 813 C TYR A 51 5.949 -0.768 2.016 1.00 0.00 C ATOM 814 O TYR A 51 6.483 -1.173 3.029 1.00 0.00 O ATOM 815 CB TYR A 51 7.284 -2.324 0.594 1.00 0.00 C ATOM 816 CG TYR A 51 6.948 -3.003 -0.710 1.00 0.00 C ATOM 817 CD1 TYR A 51 7.169 -2.341 -1.925 1.00 0.00 C ATOM 818 CD2 TYR A 51 6.417 -4.299 -0.705 1.00 0.00 C ATOM 819 CE1 TYR A 51 6.857 -2.977 -3.134 1.00 0.00 C ATOM 820 CE2 TYR A 51 6.106 -4.934 -1.913 1.00 0.00 C ATOM 821 CZ TYR A 51 6.326 -4.273 -3.128 1.00 0.00 C ATOM 822 OH TYR A 51 6.021 -4.899 -4.319 1.00 0.00 O ATOM 0 H TYR A 51 8.595 -0.180 0.649 1.00 0.00 H new ATOM 0 HA TYR A 51 5.855 -0.881 -0.133 1.00 0.00 H new ATOM 0 HB2 TYR A 51 8.364 -2.213 0.689 1.00 0.00 H new ATOM 0 HB3 TYR A 51 6.952 -2.938 1.431 1.00 0.00 H new ATOM 0 HD1 TYR A 51 7.579 -1.342 -1.930 1.00 0.00 H new ATOM 0 HD2 TYR A 51 6.247 -4.809 0.232 1.00 0.00 H new ATOM 0 HE1 TYR A 51 7.026 -2.467 -4.071 1.00 0.00 H new ATOM 0 HE2 TYR A 51 5.697 -5.933 -1.908 1.00 0.00 H new ATOM 0 HH TYR A 51 5.057 -4.836 -4.484 1.00 0.00 H new ATOM 832 N VAL A 52 4.789 -0.168 2.061 1.00 0.00 N ATOM 833 CA VAL A 52 4.117 0.021 3.381 1.00 0.00 C ATOM 834 C VAL A 52 3.031 -1.046 3.551 1.00 0.00 C ATOM 835 O VAL A 52 1.856 -0.775 3.411 1.00 0.00 O ATOM 836 CB VAL A 52 3.491 1.422 3.471 1.00 0.00 C ATOM 837 CG1 VAL A 52 4.433 2.354 4.234 1.00 0.00 C ATOM 838 CG2 VAL A 52 3.259 1.992 2.071 1.00 0.00 C ATOM 0 H VAL A 52 4.283 0.195 1.253 1.00 0.00 H new ATOM 0 HA VAL A 52 4.857 -0.077 4.175 1.00 0.00 H new ATOM 0 HB VAL A 52 2.536 1.344 3.991 1.00 0.00 H new ATOM 0 HG11 VAL A 52 3.989 3.347 4.298 1.00 0.00 H new ATOM 0 HG12 VAL A 52 4.596 1.964 5.239 1.00 0.00 H new ATOM 0 HG13 VAL A 52 5.387 2.416 3.710 1.00 0.00 H new ATOM 0 HG21 VAL A 52 2.815 2.984 2.151 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.211 2.061 1.544 1.00 0.00 H new ATOM 0 HG23 VAL A 52 2.585 1.337 1.518 1.00 0.00 H new ATOM 848 N CYS A 53 3.427 -2.260 3.849 1.00 0.00 N ATOM 849 CA CYS A 53 2.437 -3.366 4.026 1.00 0.00 C ATOM 850 C CYS A 53 1.843 -3.323 5.436 1.00 0.00 C ATOM 851 O CYS A 53 2.448 -2.819 6.361 1.00 0.00 O ATOM 852 CB CYS A 53 3.138 -4.709 3.819 1.00 0.00 C ATOM 853 SG CYS A 53 4.314 -4.986 5.166 1.00 0.00 S ATOM 0 H CYS A 53 4.401 -2.533 3.978 1.00 0.00 H new ATOM 0 HA CYS A 53 1.636 -3.245 3.296 1.00 0.00 H new ATOM 0 HB2 CYS A 53 2.404 -5.514 3.791 1.00 0.00 H new ATOM 0 HB3 CYS A 53 3.657 -4.717 2.861 1.00 0.00 H new ATOM 858 N CYS A 54 0.663 -3.862 5.608 1.00 0.00 N ATOM 859 CA CYS A 54 0.034 -3.863 6.958 1.00 0.00 C ATOM 860 C CYS A 54 -1.086 -4.900 7.006 1.00 0.00 C ATOM 861 O CYS A 54 -1.415 -5.532 6.018 1.00 0.00 O ATOM 862 CB CYS A 54 -0.567 -2.492 7.259 1.00 0.00 C ATOM 863 SG CYS A 54 -1.830 -2.113 6.023 1.00 0.00 S ATOM 0 H CYS A 54 0.110 -4.300 4.871 1.00 0.00 H new ATOM 0 HA CYS A 54 0.800 -4.102 7.695 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -1.004 -2.485 8.257 1.00 0.00 H new ATOM 0 HB3 CYS A 54 0.212 -1.729 7.246 1.00 0.00 H new ATOM 868 N ASN A 55 -1.689 -5.052 8.150 1.00 0.00 N ATOM 869 CA ASN A 55 -2.811 -6.015 8.290 1.00 0.00 C ATOM 870 C ASN A 55 -3.909 -5.361 9.145 1.00 0.00 C ATOM 871 O ASN A 55 -4.855 -6.001 9.558 1.00 0.00 O ATOM 872 CB ASN A 55 -2.278 -7.318 8.932 1.00 0.00 C ATOM 873 CG ASN A 55 -3.027 -7.658 10.229 1.00 0.00 C ATOM 874 OD1 ASN A 55 -2.553 -7.372 11.311 1.00 0.00 O ATOM 875 ND2 ASN A 55 -4.183 -8.259 10.160 1.00 0.00 N ATOM 0 H ASN A 55 -1.449 -4.545 9.002 1.00 0.00 H new ATOM 0 HA ASN A 55 -3.238 -6.271 7.320 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -2.382 -8.141 8.225 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -1.214 -7.211 9.143 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -4.690 -8.489 11.015 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -4.580 -8.499 9.251 1.00 0.00 H new ATOM 882 N THR A 56 -3.782 -4.085 9.419 1.00 0.00 N ATOM 883 CA THR A 56 -4.809 -3.393 10.253 1.00 0.00 C ATOM 884 C THR A 56 -6.049 -3.063 9.411 1.00 0.00 C ATOM 885 O THR A 56 -6.392 -3.772 8.486 1.00 0.00 O ATOM 886 CB THR A 56 -4.215 -2.098 10.811 1.00 0.00 C ATOM 887 OG1 THR A 56 -4.281 -1.084 9.818 1.00 0.00 O ATOM 888 CG2 THR A 56 -2.757 -2.332 11.208 1.00 0.00 C ATOM 0 H THR A 56 -3.013 -3.496 9.101 1.00 0.00 H new ATOM 0 HA THR A 56 -5.104 -4.051 11.070 1.00 0.00 H new ATOM 0 HB THR A 56 -4.781 -1.786 11.689 1.00 0.00 H new ATOM 0 HG1 THR A 56 -3.902 -0.253 10.173 1.00 0.00 H new ATOM 0 HG21 THR A 56 -2.335 -1.409 11.605 1.00 0.00 H new ATOM 0 HG22 THR A 56 -2.708 -3.110 11.969 1.00 0.00 H new ATOM 0 HG23 THR A 56 -2.187 -2.644 10.333 1.00 0.00 H new ATOM 896 N ASP A 57 -6.734 -1.998 9.744 1.00 0.00 N ATOM 897 CA ASP A 57 -7.968 -1.622 8.988 1.00 0.00 C ATOM 898 C ASP A 57 -7.624 -1.230 7.548 1.00 0.00 C ATOM 899 O ASP A 57 -8.419 -1.402 6.646 1.00 0.00 O ATOM 900 CB ASP A 57 -8.649 -0.441 9.682 1.00 0.00 C ATOM 901 CG ASP A 57 -9.690 -0.963 10.675 1.00 0.00 C ATOM 902 OD1 ASP A 57 -9.395 -1.933 11.355 1.00 0.00 O ATOM 903 OD2 ASP A 57 -10.762 -0.385 10.740 1.00 0.00 O ATOM 0 H ASP A 57 -6.491 -1.370 10.510 1.00 0.00 H new ATOM 0 HA ASP A 57 -8.638 -2.482 8.967 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -7.908 0.166 10.202 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -9.126 0.203 8.943 1.00 0.00 H new ATOM 908 N ARG A 58 -6.454 -0.700 7.317 1.00 0.00 N ATOM 909 CA ARG A 58 -6.083 -0.300 5.928 1.00 0.00 C ATOM 910 C ARG A 58 -5.479 -1.499 5.190 1.00 0.00 C ATOM 911 O ARG A 58 -4.664 -1.348 4.302 1.00 0.00 O ATOM 912 CB ARG A 58 -5.056 0.834 5.981 1.00 0.00 C ATOM 913 CG ARG A 58 -5.627 2.000 6.791 1.00 0.00 C ATOM 914 CD ARG A 58 -4.484 2.886 7.287 1.00 0.00 C ATOM 915 NE ARG A 58 -3.760 2.192 8.391 1.00 0.00 N ATOM 916 CZ ARG A 58 -2.916 2.854 9.134 1.00 0.00 C ATOM 917 NH1 ARG A 58 -1.660 2.926 8.789 1.00 0.00 N ATOM 918 NH2 ARG A 58 -3.329 3.444 10.223 1.00 0.00 N ATOM 0 H ARG A 58 -5.741 -0.527 8.026 1.00 0.00 H new ATOM 0 HA ARG A 58 -6.974 0.038 5.400 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.130 0.480 6.435 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -4.810 1.164 4.972 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -6.312 2.583 6.175 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -6.201 1.622 7.637 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -3.798 3.105 6.469 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -4.876 3.841 7.638 1.00 0.00 H new ATOM 0 HE ARG A 58 -3.925 1.201 8.565 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -1.338 2.465 7.938 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -1.000 3.444 9.370 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -4.311 3.387 10.493 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -2.670 3.962 10.804 1.00 0.00 H new ATOM 932 N CYS A 59 -5.868 -2.690 5.556 1.00 0.00 N ATOM 933 CA CYS A 59 -5.316 -3.902 4.889 1.00 0.00 C ATOM 934 C CYS A 59 -6.262 -5.076 5.145 1.00 0.00 C ATOM 935 O CYS A 59 -7.078 -5.425 4.314 1.00 0.00 O ATOM 936 CB CYS A 59 -3.930 -4.232 5.465 1.00 0.00 C ATOM 937 SG CYS A 59 -3.482 -3.025 6.740 1.00 0.00 S ATOM 0 H CYS A 59 -6.548 -2.876 6.293 1.00 0.00 H new ATOM 0 HA CYS A 59 -5.222 -3.720 3.819 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -3.934 -5.236 5.889 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -3.186 -4.225 4.669 1.00 0.00 H new ATOM 942 N ASN A 60 -6.163 -5.677 6.298 1.00 0.00 N ATOM 943 CA ASN A 60 -7.059 -6.826 6.630 1.00 0.00 C ATOM 944 C ASN A 60 -7.135 -6.981 8.150 1.00 0.00 C ATOM 945 O ASN A 60 -7.113 -5.970 8.832 1.00 0.00 O ATOM 946 CB ASN A 60 -6.527 -8.130 6.018 1.00 0.00 C ATOM 947 CG ASN A 60 -5.250 -7.864 5.219 1.00 0.00 C ATOM 948 OD1 ASN A 60 -4.247 -7.456 5.770 1.00 0.00 O ATOM 949 ND2 ASN A 60 -5.247 -8.080 3.934 1.00 0.00 N ATOM 950 OXT ASN A 60 -7.212 -8.110 8.607 1.00 0.00 O ATOM 0 H ASN A 60 -5.498 -5.423 7.029 1.00 0.00 H new ATOM 0 HA ASN A 60 -8.048 -6.626 6.218 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -6.325 -8.854 6.808 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -7.284 -8.570 5.369 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -4.402 -7.907 3.390 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -6.090 -8.423 3.472 1.00 0.00 H new TER 957 ASN A 60