USER MOD reduce.3.24.130724 H: found=0, std=0, add=424, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 421 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLU N :NH3+ -168:sc= 0 (180deg=-0.133) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot -4:sc= 1.92 USER MOD Single : A 9 ASN : amide:sc= -2.44 X(o=-2.4,f=-2.2) USER MOD Single : A 10 GLN : amide:sc= -2.36 K(o=-2.4,f=-15!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot -156:sc= 0.0454 USER MOD Single : A 25 HIS : no HD1:sc= -9.06! C(o=-9.1!,f=-6.8!) USER MOD Single : A 27 THR OG1 : rot 140:sc= -0.839 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -2.29! K(o=-2.3!,f=-1.7) USER MOD Single : A 33 ASN : amide:sc= -1.77! C(o=-1.8!,f=-2.4!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -1.23 K(o=-1.2,f=-0.2) USER MOD Single : A 57 CYS SG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.0339 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 4.681 -14.829 19.119 1.00 0.00 N ATOM 2 CA GLU A 1 5.859 -14.699 19.961 1.00 0.00 C ATOM 3 C GLU A 1 6.587 -13.388 19.655 1.00 0.00 C ATOM 4 O GLU A 1 7.001 -12.676 20.569 1.00 0.00 O ATOM 5 CB GLU A 1 6.793 -15.898 19.787 1.00 0.00 C ATOM 6 CG GLU A 1 6.525 -16.961 20.854 1.00 0.00 C ATOM 7 CD GLU A 1 7.469 -16.791 22.047 1.00 0.00 C ATOM 8 OE1 GLU A 1 7.815 -15.625 22.334 1.00 0.00 O ATOM 9 OE2 GLU A 1 7.823 -17.830 22.643 1.00 0.00 O ATOM 0 H1 GLU A 1 4.089 -15.609 19.469 1.00 0.00 H new ATOM 0 H2 GLU A 1 4.137 -13.943 19.144 1.00 0.00 H new ATOM 0 H3 GLU A 1 4.974 -15.028 18.141 1.00 0.00 H new ATOM 0 HA GLU A 1 5.537 -14.680 21.002 1.00 0.00 H new ATOM 0 HB2 GLU A 1 6.655 -16.330 18.796 1.00 0.00 H new ATOM 0 HB3 GLU A 1 7.830 -15.568 19.850 1.00 0.00 H new ATOM 0 HG2 GLU A 1 5.491 -16.890 21.191 1.00 0.00 H new ATOM 0 HG3 GLU A 1 6.653 -17.954 20.423 1.00 0.00 H new ATOM 16 N GLU A 2 6.720 -13.108 18.367 1.00 0.00 N ATOM 17 CA GLU A 2 7.390 -11.896 17.929 1.00 0.00 C ATOM 18 C GLU A 2 7.233 -11.718 16.418 1.00 0.00 C ATOM 19 O GLU A 2 7.974 -12.317 15.639 1.00 0.00 O ATOM 20 CB GLU A 2 8.867 -11.911 18.329 1.00 0.00 C ATOM 21 CG GLU A 2 9.368 -10.497 18.630 1.00 0.00 C ATOM 22 CD GLU A 2 10.168 -9.937 17.452 1.00 0.00 C ATOM 23 OE1 GLU A 2 9.516 -9.515 16.473 1.00 0.00 O ATOM 24 OE2 GLU A 2 11.414 -9.943 17.558 1.00 0.00 O ATOM 0 H GLU A 2 6.375 -13.701 17.612 1.00 0.00 H new ATOM 0 HA GLU A 2 6.921 -11.046 18.425 1.00 0.00 H new ATOM 0 HB2 GLU A 2 9.003 -12.543 19.206 1.00 0.00 H new ATOM 0 HB3 GLU A 2 9.461 -12.348 17.526 1.00 0.00 H new ATOM 0 HG2 GLU A 2 8.521 -9.845 18.842 1.00 0.00 H new ATOM 0 HG3 GLU A 2 9.991 -10.511 19.524 1.00 0.00 H new ATOM 31 N TYR A 3 6.264 -10.893 16.049 1.00 0.00 N ATOM 32 CA TYR A 3 6.001 -10.629 14.644 1.00 0.00 C ATOM 33 C TYR A 3 5.485 -9.203 14.442 1.00 0.00 C ATOM 34 O TYR A 3 4.674 -8.715 15.228 1.00 0.00 O ATOM 35 CB TYR A 3 4.911 -11.618 14.227 1.00 0.00 C ATOM 36 CG TYR A 3 4.893 -11.930 12.729 1.00 0.00 C ATOM 37 CD1 TYR A 3 6.026 -12.424 12.114 1.00 0.00 C ATOM 38 CD2 TYR A 3 3.746 -11.716 11.993 1.00 0.00 C ATOM 39 CE1 TYR A 3 6.010 -12.718 10.704 1.00 0.00 C ATOM 40 CE2 TYR A 3 3.730 -12.009 10.583 1.00 0.00 C ATOM 41 CZ TYR A 3 4.863 -12.496 10.008 1.00 0.00 C ATOM 42 OH TYR A 3 4.847 -12.773 8.677 1.00 0.00 O ATOM 0 H TYR A 3 5.652 -10.399 16.698 1.00 0.00 H new ATOM 0 HA TYR A 3 6.912 -10.738 14.055 1.00 0.00 H new ATOM 0 HB2 TYR A 3 5.048 -12.548 14.780 1.00 0.00 H new ATOM 0 HB3 TYR A 3 3.940 -11.215 14.515 1.00 0.00 H new ATOM 0 HD1 TYR A 3 6.924 -12.590 12.690 1.00 0.00 H new ATOM 0 HD2 TYR A 3 2.860 -11.329 12.474 1.00 0.00 H new ATOM 0 HE1 TYR A 3 6.889 -13.106 10.211 1.00 0.00 H new ATOM 0 HE2 TYR A 3 2.839 -11.846 9.995 1.00 0.00 H new ATOM 0 HH TYR A 3 3.962 -12.567 8.311 1.00 0.00 H new ATOM 52 N VAL A 4 5.975 -8.575 13.383 1.00 0.00 N ATOM 53 CA VAL A 4 5.574 -7.215 13.068 1.00 0.00 C ATOM 54 C VAL A 4 6.016 -6.875 11.643 1.00 0.00 C ATOM 55 O VAL A 4 7.053 -6.242 11.446 1.00 0.00 O ATOM 56 CB VAL A 4 6.132 -6.248 14.114 1.00 0.00 C ATOM 57 CG1 VAL A 4 7.654 -6.366 14.213 1.00 0.00 C ATOM 58 CG2 VAL A 4 5.711 -4.809 13.810 1.00 0.00 C ATOM 0 H VAL A 4 6.646 -8.983 12.732 1.00 0.00 H new ATOM 0 HA VAL A 4 4.489 -7.119 13.104 1.00 0.00 H new ATOM 0 HB VAL A 4 5.712 -6.522 15.082 1.00 0.00 H new ATOM 0 HG11 VAL A 4 8.025 -5.668 14.963 1.00 0.00 H new ATOM 0 HG12 VAL A 4 7.922 -7.383 14.499 1.00 0.00 H new ATOM 0 HG13 VAL A 4 8.101 -6.131 13.247 1.00 0.00 H new ATOM 0 HG21 VAL A 4 6.121 -4.142 14.569 1.00 0.00 H new ATOM 0 HG22 VAL A 4 6.089 -4.519 12.829 1.00 0.00 H new ATOM 0 HG23 VAL A 4 4.623 -4.739 13.815 1.00 0.00 H new ATOM 68 N GLY A 5 5.209 -7.309 10.687 1.00 0.00 N ATOM 69 CA GLY A 5 5.505 -7.059 9.287 1.00 0.00 C ATOM 70 C GLY A 5 4.328 -6.369 8.593 1.00 0.00 C ATOM 71 O GLY A 5 4.408 -6.035 7.411 1.00 0.00 O ATOM 0 H GLY A 5 4.350 -7.833 10.854 1.00 0.00 H new ATOM 0 HA2 GLY A 5 6.396 -6.436 9.205 1.00 0.00 H new ATOM 0 HA3 GLY A 5 5.727 -8.001 8.785 1.00 0.00 H new ATOM 75 N LEU A 6 3.263 -6.176 9.356 1.00 0.00 N ATOM 76 CA LEU A 6 2.071 -5.532 8.830 1.00 0.00 C ATOM 77 C LEU A 6 1.872 -4.187 9.531 1.00 0.00 C ATOM 78 O LEU A 6 2.395 -3.968 10.622 1.00 0.00 O ATOM 79 CB LEU A 6 0.865 -6.467 8.938 1.00 0.00 C ATOM 80 CG LEU A 6 1.171 -7.914 9.328 1.00 0.00 C ATOM 81 CD1 LEU A 6 2.271 -8.500 8.440 1.00 0.00 C ATOM 82 CD2 LEU A 6 1.516 -8.021 10.814 1.00 0.00 C ATOM 0 H LEU A 6 3.200 -6.454 10.335 1.00 0.00 H new ATOM 0 HA LEU A 6 2.188 -5.323 7.767 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.174 -6.052 9.672 1.00 0.00 H new ATOM 0 HB3 LEU A 6 0.347 -6.472 7.979 1.00 0.00 H new ATOM 0 HG LEU A 6 0.273 -8.509 9.163 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.469 -9.529 8.738 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.948 -8.480 7.399 1.00 0.00 H new ATOM 0 HD13 LEU A 6 3.180 -7.909 8.549 1.00 0.00 H new ATOM 0 HD21 LEU A 6 1.729 -9.060 11.064 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.392 -7.409 11.029 1.00 0.00 H new ATOM 0 HD23 LEU A 6 0.673 -7.670 11.409 1.00 0.00 H new ATOM 94 N SER A 7 1.115 -3.320 8.874 1.00 0.00 N ATOM 95 CA SER A 7 0.840 -2.002 9.420 1.00 0.00 C ATOM 96 C SER A 7 2.147 -1.229 9.606 1.00 0.00 C ATOM 97 O SER A 7 2.883 -1.467 10.563 1.00 0.00 O ATOM 98 CB SER A 7 0.090 -2.102 10.750 1.00 0.00 C ATOM 99 OG SER A 7 0.960 -2.426 11.831 1.00 0.00 O ATOM 0 H SER A 7 0.684 -3.505 7.968 1.00 0.00 H new ATOM 0 HA SER A 7 0.205 -1.466 8.715 1.00 0.00 H new ATOM 0 HB2 SER A 7 -0.408 -1.155 10.957 1.00 0.00 H new ATOM 0 HB3 SER A 7 -0.688 -2.861 10.671 1.00 0.00 H new ATOM 0 HG SER A 7 1.866 -2.576 11.488 1.00 0.00 H new ATOM 105 N ALA A 8 2.397 -0.320 8.675 1.00 0.00 N ATOM 106 CA ALA A 8 3.603 0.489 8.723 1.00 0.00 C ATOM 107 C ALA A 8 4.763 -0.295 8.106 1.00 0.00 C ATOM 108 O ALA A 8 5.285 0.083 7.058 1.00 0.00 O ATOM 109 CB ALA A 8 3.883 0.903 10.169 1.00 0.00 C ATOM 0 H ALA A 8 1.785 -0.126 7.883 1.00 0.00 H new ATOM 0 HA ALA A 8 3.476 1.402 8.141 1.00 0.00 H new ATOM 0 HB1 ALA A 8 4.788 1.510 10.205 1.00 0.00 H new ATOM 0 HB2 ALA A 8 3.042 1.482 10.551 1.00 0.00 H new ATOM 0 HB3 ALA A 8 4.019 0.012 10.783 1.00 0.00 H new ATOM 115 N ASN A 9 5.133 -1.372 8.783 1.00 0.00 N ATOM 116 CA ASN A 9 6.222 -2.213 8.315 1.00 0.00 C ATOM 117 C ASN A 9 6.029 -2.508 6.826 1.00 0.00 C ATOM 118 O ASN A 9 6.794 -2.030 5.990 1.00 0.00 O ATOM 119 CB ASN A 9 6.249 -3.547 9.062 1.00 0.00 C ATOM 120 CG ASN A 9 6.257 -3.328 10.576 1.00 0.00 C ATOM 121 OD1 ASN A 9 7.295 -3.253 11.213 1.00 0.00 O ATOM 122 ND2 ASN A 9 5.046 -3.229 11.116 1.00 0.00 N ATOM 0 H ASN A 9 4.698 -1.682 9.652 1.00 0.00 H new ATOM 0 HA ASN A 9 7.157 -1.682 8.492 1.00 0.00 H new ATOM 0 HB2 ASN A 9 5.380 -4.142 8.782 1.00 0.00 H new ATOM 0 HB3 ASN A 9 7.132 -4.114 8.768 1.00 0.00 H new ATOM 0 HD21 ASN A 9 4.946 -3.081 12.120 1.00 0.00 H new ATOM 0 HD22 ASN A 9 4.217 -3.301 10.526 1.00 0.00 H new ATOM 129 N GLN A 10 5.002 -3.295 6.540 1.00 0.00 N ATOM 130 CA GLN A 10 4.698 -3.660 5.167 1.00 0.00 C ATOM 131 C GLN A 10 4.749 -2.425 4.266 1.00 0.00 C ATOM 132 O GLN A 10 5.271 -2.485 3.154 1.00 0.00 O ATOM 133 CB GLN A 10 3.337 -4.352 5.072 1.00 0.00 C ATOM 134 CG GLN A 10 2.286 -3.611 5.901 1.00 0.00 C ATOM 135 CD GLN A 10 0.924 -4.304 5.806 1.00 0.00 C ATOM 136 OE1 GLN A 10 0.264 -4.569 6.797 1.00 0.00 O ATOM 137 NE2 GLN A 10 0.544 -4.580 4.562 1.00 0.00 N ATOM 0 H GLN A 10 4.370 -3.690 7.236 1.00 0.00 H new ATOM 0 HA GLN A 10 5.453 -4.367 4.824 1.00 0.00 H new ATOM 0 HB2 GLN A 10 3.019 -4.396 4.030 1.00 0.00 H new ATOM 0 HB3 GLN A 10 3.423 -5.381 5.422 1.00 0.00 H new ATOM 0 HG2 GLN A 10 2.604 -3.567 6.943 1.00 0.00 H new ATOM 0 HG3 GLN A 10 2.200 -2.582 5.550 1.00 0.00 H new ATOM 0 HE21 GLN A 10 1.146 -4.330 3.778 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -0.350 -5.042 4.392 1.00 0.00 H new ATOM 146 N CYS A 11 4.200 -1.334 4.780 1.00 0.00 N ATOM 147 CA CYS A 11 4.177 -0.086 4.035 1.00 0.00 C ATOM 148 C CYS A 11 5.255 0.835 4.608 1.00 0.00 C ATOM 149 O CYS A 11 5.018 2.027 4.804 1.00 0.00 O ATOM 150 CB CYS A 11 2.793 0.565 4.067 1.00 0.00 C ATOM 151 SG CYS A 11 1.401 -0.600 4.296 1.00 0.00 S ATOM 0 H CYS A 11 3.768 -1.288 5.703 1.00 0.00 H new ATOM 0 HA CYS A 11 4.390 -0.282 2.984 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.771 1.298 4.873 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.642 1.111 3.135 1.00 0.00 H new ATOM 156 N ALA A 12 6.416 0.249 4.861 1.00 0.00 N ATOM 157 CA ALA A 12 7.531 1.003 5.408 1.00 0.00 C ATOM 158 C ALA A 12 8.499 1.366 4.279 1.00 0.00 C ATOM 159 O ALA A 12 9.714 1.343 4.467 1.00 0.00 O ATOM 160 CB ALA A 12 8.205 0.189 6.514 1.00 0.00 C ATOM 0 H ALA A 12 6.609 -0.739 4.697 1.00 0.00 H new ATOM 0 HA ALA A 12 7.182 1.934 5.855 1.00 0.00 H new ATOM 0 HB1 ALA A 12 9.041 0.755 6.924 1.00 0.00 H new ATOM 0 HB2 ALA A 12 7.484 -0.017 7.305 1.00 0.00 H new ATOM 0 HB3 ALA A 12 8.571 -0.752 6.102 1.00 0.00 H new ATOM 166 N VAL A 13 7.923 1.691 3.131 1.00 0.00 N ATOM 167 CA VAL A 13 8.718 2.058 1.972 1.00 0.00 C ATOM 168 C VAL A 13 8.911 3.576 1.950 1.00 0.00 C ATOM 169 O VAL A 13 8.061 4.320 2.437 1.00 0.00 O ATOM 170 CB VAL A 13 8.066 1.519 0.697 1.00 0.00 C ATOM 171 CG1 VAL A 13 9.112 0.913 -0.241 1.00 0.00 C ATOM 172 CG2 VAL A 13 6.972 0.502 1.029 1.00 0.00 C ATOM 0 H VAL A 13 6.915 1.708 2.979 1.00 0.00 H new ATOM 0 HA VAL A 13 9.708 1.606 2.030 1.00 0.00 H new ATOM 0 HB VAL A 13 7.599 2.357 0.180 1.00 0.00 H new ATOM 0 HG11 VAL A 13 8.621 0.538 -1.139 1.00 0.00 H new ATOM 0 HG12 VAL A 13 9.839 1.677 -0.517 1.00 0.00 H new ATOM 0 HG13 VAL A 13 9.622 0.092 0.264 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.525 0.134 0.106 1.00 0.00 H new ATOM 0 HG22 VAL A 13 7.406 -0.333 1.579 1.00 0.00 H new ATOM 0 HG23 VAL A 13 6.205 0.979 1.639 1.00 0.00 H new ATOM 182 N PRO A 14 10.062 4.001 1.364 1.00 0.00 N ATOM 183 CA PRO A 14 10.377 5.416 1.272 1.00 0.00 C ATOM 184 C PRO A 14 9.535 6.096 0.191 1.00 0.00 C ATOM 185 O PRO A 14 8.832 7.068 0.465 1.00 0.00 O ATOM 186 CB PRO A 14 11.868 5.470 0.985 1.00 0.00 C ATOM 187 CG PRO A 14 12.243 4.091 0.468 1.00 0.00 C ATOM 188 CD PRO A 14 11.091 3.148 0.776 1.00 0.00 C ATOM 0 HA PRO A 14 10.142 5.959 2.187 1.00 0.00 H new ATOM 0 HB2 PRO A 14 12.096 6.239 0.247 1.00 0.00 H new ATOM 0 HB3 PRO A 14 12.430 5.716 1.886 1.00 0.00 H new ATOM 0 HG2 PRO A 14 12.433 4.124 -0.605 1.00 0.00 H new ATOM 0 HG3 PRO A 14 13.160 3.742 0.943 1.00 0.00 H new ATOM 0 HD2 PRO A 14 10.729 2.656 -0.127 1.00 0.00 H new ATOM 0 HD3 PRO A 14 11.396 2.362 1.467 1.00 0.00 H new ATOM 196 N ALA A 15 9.633 5.558 -1.016 1.00 0.00 N ATOM 197 CA ALA A 15 8.890 6.100 -2.140 1.00 0.00 C ATOM 198 C ALA A 15 9.572 5.685 -3.445 1.00 0.00 C ATOM 199 O ALA A 15 8.942 5.670 -4.502 1.00 0.00 O ATOM 200 CB ALA A 15 8.783 7.620 -1.997 1.00 0.00 C ATOM 0 H ALA A 15 10.216 4.752 -1.240 1.00 0.00 H new ATOM 0 HA ALA A 15 7.876 5.701 -2.156 1.00 0.00 H new ATOM 0 HB1 ALA A 15 8.225 8.026 -2.841 1.00 0.00 H new ATOM 0 HB2 ALA A 15 8.265 7.863 -1.069 1.00 0.00 H new ATOM 0 HB3 ALA A 15 9.782 8.055 -1.979 1.00 0.00 H new ATOM 206 N LYS A 16 10.850 5.357 -3.329 1.00 0.00 N ATOM 207 CA LYS A 16 11.624 4.942 -4.487 1.00 0.00 C ATOM 208 C LYS A 16 11.604 3.416 -4.588 1.00 0.00 C ATOM 209 O LYS A 16 12.237 2.841 -5.473 1.00 0.00 O ATOM 210 CB LYS A 16 13.033 5.537 -4.430 1.00 0.00 C ATOM 211 CG LYS A 16 13.828 4.951 -3.261 1.00 0.00 C ATOM 212 CD LYS A 16 14.595 3.699 -3.692 1.00 0.00 C ATOM 213 CE LYS A 16 16.098 3.872 -3.468 1.00 0.00 C ATOM 214 NZ LYS A 16 16.789 2.566 -3.556 1.00 0.00 N ATOM 0 H LYS A 16 11.369 5.370 -2.451 1.00 0.00 H new ATOM 0 HA LYS A 16 11.177 5.328 -5.403 1.00 0.00 H new ATOM 0 HB2 LYS A 16 13.554 5.337 -5.366 1.00 0.00 H new ATOM 0 HB3 LYS A 16 12.970 6.620 -4.325 1.00 0.00 H new ATOM 0 HG2 LYS A 16 14.526 5.697 -2.881 1.00 0.00 H new ATOM 0 HG3 LYS A 16 13.151 4.703 -2.444 1.00 0.00 H new ATOM 0 HD2 LYS A 16 14.237 2.837 -3.129 1.00 0.00 H new ATOM 0 HD3 LYS A 16 14.402 3.495 -4.745 1.00 0.00 H new ATOM 0 HE2 LYS A 16 16.506 4.557 -4.211 1.00 0.00 H new ATOM 0 HE3 LYS A 16 16.277 4.320 -2.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 17.808 2.702 -3.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 16.411 1.924 -2.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 16.633 2.154 -4.498 1.00 0.00 H new ATOM 228 N ASP A 17 10.871 2.803 -3.670 1.00 0.00 N ATOM 229 CA ASP A 17 10.761 1.355 -3.645 1.00 0.00 C ATOM 230 C ASP A 17 9.293 0.957 -3.812 1.00 0.00 C ATOM 231 O ASP A 17 8.933 -0.202 -3.609 1.00 0.00 O ATOM 232 CB ASP A 17 11.256 0.788 -2.313 1.00 0.00 C ATOM 233 CG ASP A 17 12.596 0.054 -2.381 1.00 0.00 C ATOM 234 OD1 ASP A 17 12.915 -0.446 -3.482 1.00 0.00 O ATOM 235 OD2 ASP A 17 13.272 0.008 -1.331 1.00 0.00 O ATOM 0 H ASP A 17 10.348 3.283 -2.938 1.00 0.00 H new ATOM 0 HA ASP A 17 11.371 0.956 -4.456 1.00 0.00 H new ATOM 0 HB2 ASP A 17 11.343 1.605 -1.597 1.00 0.00 H new ATOM 0 HB3 ASP A 17 10.503 0.103 -1.925 1.00 0.00 H new ATOM 240 N ARG A 18 8.485 1.940 -4.181 1.00 0.00 N ATOM 241 CA ARG A 18 7.064 1.707 -4.378 1.00 0.00 C ATOM 242 C ARG A 18 6.823 0.988 -5.706 1.00 0.00 C ATOM 243 O ARG A 18 7.131 1.523 -6.770 1.00 0.00 O ATOM 244 CB ARG A 18 6.283 3.023 -4.368 1.00 0.00 C ATOM 245 CG ARG A 18 6.785 3.950 -3.259 1.00 0.00 C ATOM 246 CD ARG A 18 6.568 3.322 -1.881 1.00 0.00 C ATOM 247 NE ARG A 18 6.796 4.332 -0.823 1.00 0.00 N ATOM 248 CZ ARG A 18 6.035 5.421 -0.649 1.00 0.00 C ATOM 249 NH1 ARG A 18 4.993 5.648 -1.461 1.00 0.00 N ATOM 250 NH2 ARG A 18 6.316 6.284 0.337 1.00 0.00 N ATOM 0 H ARG A 18 8.787 2.900 -4.349 1.00 0.00 H new ATOM 0 HA ARG A 18 6.713 1.084 -3.555 1.00 0.00 H new ATOM 0 HB2 ARG A 18 6.384 3.518 -5.334 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.222 2.819 -4.224 1.00 0.00 H new ATOM 0 HG2 ARG A 18 7.845 4.158 -3.405 1.00 0.00 H new ATOM 0 HG3 ARG A 18 6.263 4.905 -3.314 1.00 0.00 H new ATOM 0 HD2 ARG A 18 5.554 2.928 -1.807 1.00 0.00 H new ATOM 0 HD3 ARG A 18 7.247 2.481 -1.745 1.00 0.00 H new ATOM 0 HE ARG A 18 7.581 4.190 -0.187 1.00 0.00 H new ATOM 0 HH11 ARG A 18 4.779 4.992 -2.212 1.00 0.00 H new ATOM 0 HH12 ARG A 18 4.414 6.477 -1.328 1.00 0.00 H new ATOM 0 HH21 ARG A 18 7.109 6.112 0.955 1.00 0.00 H new ATOM 0 HH22 ARG A 18 5.737 7.113 0.470 1.00 0.00 H new ATOM 264 N VAL A 19 6.275 -0.214 -5.602 1.00 0.00 N ATOM 265 CA VAL A 19 5.989 -1.011 -6.782 1.00 0.00 C ATOM 266 C VAL A 19 4.664 -0.553 -7.394 1.00 0.00 C ATOM 267 O VAL A 19 4.307 -0.969 -8.495 1.00 0.00 O ATOM 268 CB VAL A 19 5.999 -2.499 -6.424 1.00 0.00 C ATOM 269 CG1 VAL A 19 6.273 -3.359 -7.659 1.00 0.00 C ATOM 270 CG2 VAL A 19 7.015 -2.789 -5.317 1.00 0.00 C ATOM 0 H VAL A 19 6.022 -0.655 -4.718 1.00 0.00 H new ATOM 0 HA VAL A 19 6.762 -0.866 -7.536 1.00 0.00 H new ATOM 0 HB VAL A 19 5.010 -2.760 -6.048 1.00 0.00 H new ATOM 0 HG11 VAL A 19 6.275 -4.412 -7.376 1.00 0.00 H new ATOM 0 HG12 VAL A 19 5.496 -3.184 -8.404 1.00 0.00 H new ATOM 0 HG13 VAL A 19 7.244 -3.095 -8.078 1.00 0.00 H new ATOM 0 HG21 VAL A 19 7.002 -3.853 -5.081 1.00 0.00 H new ATOM 0 HG22 VAL A 19 8.012 -2.504 -5.654 1.00 0.00 H new ATOM 0 HG23 VAL A 19 6.756 -2.217 -4.426 1.00 0.00 H new ATOM 280 N ASP A 20 3.970 0.299 -6.653 1.00 0.00 N ATOM 281 CA ASP A 20 2.692 0.819 -7.109 1.00 0.00 C ATOM 282 C ASP A 20 1.733 -0.346 -7.360 1.00 0.00 C ATOM 283 O ASP A 20 1.969 -1.170 -8.243 1.00 0.00 O ATOM 284 CB ASP A 20 2.848 1.594 -8.419 1.00 0.00 C ATOM 285 CG ASP A 20 1.584 2.304 -8.905 1.00 0.00 C ATOM 286 OD1 ASP A 20 0.655 2.439 -8.078 1.00 0.00 O ATOM 287 OD2 ASP A 20 1.573 2.697 -10.091 1.00 0.00 O ATOM 0 H ASP A 20 4.269 0.642 -5.740 1.00 0.00 H new ATOM 0 HA ASP A 20 2.306 1.487 -6.339 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.637 2.335 -8.293 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.180 0.904 -9.195 1.00 0.00 H new ATOM 292 N CYS A 21 0.671 -0.378 -6.568 1.00 0.00 N ATOM 293 CA CYS A 21 -0.325 -1.429 -6.693 1.00 0.00 C ATOM 294 C CYS A 21 -1.319 -1.020 -7.782 1.00 0.00 C ATOM 295 O CYS A 21 -1.967 -1.873 -8.387 1.00 0.00 O ATOM 296 CB CYS A 21 -1.021 -1.710 -5.360 1.00 0.00 C ATOM 297 SG CYS A 21 -1.288 -3.482 -4.992 1.00 0.00 S ATOM 0 H CYS A 21 0.479 0.307 -5.837 1.00 0.00 H new ATOM 0 HA CYS A 21 0.160 -2.363 -6.977 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -0.428 -1.272 -4.557 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -1.986 -1.203 -5.356 1.00 0.00 H new ATOM 302 N GLY A 22 -1.408 0.284 -7.999 1.00 0.00 N ATOM 303 CA GLY A 22 -2.312 0.815 -9.004 1.00 0.00 C ATOM 304 C GLY A 22 -3.771 0.646 -8.574 1.00 0.00 C ATOM 305 O GLY A 22 -4.386 -0.385 -8.845 1.00 0.00 O ATOM 0 H GLY A 22 -0.869 0.988 -7.496 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -2.098 1.871 -9.169 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.147 0.304 -9.953 1.00 0.00 H new ATOM 309 N TYR A 23 -4.282 1.673 -7.911 1.00 0.00 N ATOM 310 CA TYR A 23 -5.657 1.650 -7.441 1.00 0.00 C ATOM 311 C TYR A 23 -6.343 2.995 -7.689 1.00 0.00 C ATOM 312 O TYR A 23 -5.695 4.041 -7.663 1.00 0.00 O ATOM 313 CB TYR A 23 -5.583 1.399 -5.934 1.00 0.00 C ATOM 314 CG TYR A 23 -5.623 -0.081 -5.547 1.00 0.00 C ATOM 315 CD1 TYR A 23 -6.790 -0.803 -5.698 1.00 0.00 C ATOM 316 CD2 TYR A 23 -4.493 -0.694 -5.047 1.00 0.00 C ATOM 317 CE1 TYR A 23 -6.828 -2.195 -5.334 1.00 0.00 C ATOM 318 CE2 TYR A 23 -4.530 -2.087 -4.683 1.00 0.00 C ATOM 319 CZ TYR A 23 -5.696 -2.769 -4.845 1.00 0.00 C ATOM 320 OH TYR A 23 -5.731 -4.084 -4.501 1.00 0.00 O ATOM 0 H TYR A 23 -3.769 2.526 -7.688 1.00 0.00 H new ATOM 0 HA TYR A 23 -6.229 0.884 -7.965 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -4.665 1.840 -5.547 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -6.413 1.913 -5.449 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -7.675 -0.323 -6.089 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -3.580 -0.129 -4.928 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -7.735 -2.771 -5.447 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -3.652 -2.579 -4.290 1.00 0.00 H new ATOM 0 HH TYR A 23 -5.035 -4.267 -3.835 1.00 0.00 H new ATOM 330 N PRO A 24 -7.680 2.923 -7.929 1.00 0.00 N ATOM 331 CA PRO A 24 -8.461 4.122 -8.182 1.00 0.00 C ATOM 332 C PRO A 24 -8.701 4.902 -6.888 1.00 0.00 C ATOM 333 O PRO A 24 -8.097 5.952 -6.670 1.00 0.00 O ATOM 334 CB PRO A 24 -9.746 3.626 -8.824 1.00 0.00 C ATOM 335 CG PRO A 24 -9.838 2.147 -8.485 1.00 0.00 C ATOM 336 CD PRO A 24 -8.480 1.702 -7.968 1.00 0.00 C ATOM 0 HA PRO A 24 -7.950 4.827 -8.838 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -10.609 4.169 -8.440 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -9.728 3.779 -9.903 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -10.608 1.975 -7.733 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -10.119 1.570 -9.366 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -8.561 1.250 -6.979 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -8.032 0.956 -8.624 1.00 0.00 H new ATOM 344 N HIS A 25 -9.583 4.359 -6.062 1.00 0.00 N ATOM 345 CA HIS A 25 -9.911 4.991 -4.795 1.00 0.00 C ATOM 346 C HIS A 25 -8.982 4.459 -3.701 1.00 0.00 C ATOM 347 O HIS A 25 -9.330 3.518 -2.990 1.00 0.00 O ATOM 348 CB HIS A 25 -11.391 4.801 -4.460 1.00 0.00 C ATOM 349 CG HIS A 25 -11.744 3.405 -4.006 1.00 0.00 C ATOM 350 ND1 HIS A 25 -12.860 3.126 -3.237 1.00 0.00 N ATOM 351 CD2 HIS A 25 -11.118 2.213 -4.222 1.00 0.00 C ATOM 352 CE1 HIS A 25 -12.894 1.822 -3.005 1.00 0.00 C ATOM 353 NE2 HIS A 25 -11.813 1.258 -3.616 1.00 0.00 N ATOM 0 H HIS A 25 -10.081 3.488 -6.245 1.00 0.00 H new ATOM 0 HA HIS A 25 -9.751 6.067 -4.869 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -11.669 5.507 -3.678 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -11.986 5.047 -5.339 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -10.211 2.070 -4.790 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -13.645 1.298 -2.433 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -11.577 0.266 -3.609 1.00 0.00 H new ATOM 362 N VAL A 26 -7.819 5.086 -3.601 1.00 0.00 N ATOM 363 CA VAL A 26 -6.838 4.688 -2.606 1.00 0.00 C ATOM 364 C VAL A 26 -6.970 5.589 -1.377 1.00 0.00 C ATOM 365 O VAL A 26 -7.157 6.798 -1.506 1.00 0.00 O ATOM 366 CB VAL A 26 -5.435 4.711 -3.216 1.00 0.00 C ATOM 367 CG1 VAL A 26 -5.299 3.658 -4.318 1.00 0.00 C ATOM 368 CG2 VAL A 26 -5.090 6.105 -3.744 1.00 0.00 C ATOM 0 H VAL A 26 -7.534 5.867 -4.193 1.00 0.00 H new ATOM 0 HA VAL A 26 -7.019 3.664 -2.279 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.723 4.465 -2.428 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -4.293 3.695 -4.735 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -5.482 2.668 -3.900 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -6.025 3.859 -5.105 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -4.088 6.094 -4.172 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -5.809 6.392 -4.511 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.127 6.824 -2.925 1.00 0.00 H new ATOM 378 N THR A 27 -6.869 4.965 -0.212 1.00 0.00 N ATOM 379 CA THR A 27 -6.975 5.696 1.040 1.00 0.00 C ATOM 380 C THR A 27 -6.196 4.979 2.143 1.00 0.00 C ATOM 381 O THR A 27 -5.743 3.851 1.956 1.00 0.00 O ATOM 382 CB THR A 27 -8.461 5.871 1.360 1.00 0.00 C ATOM 383 OG1 THR A 27 -8.822 4.655 2.009 1.00 0.00 O ATOM 384 CG2 THR A 27 -9.332 5.896 0.103 1.00 0.00 C ATOM 0 H THR A 27 -6.715 3.962 -0.109 1.00 0.00 H new ATOM 0 HA THR A 27 -6.526 6.686 0.960 1.00 0.00 H new ATOM 0 HB THR A 27 -8.605 6.795 1.919 1.00 0.00 H new ATOM 0 HG1 THR A 27 -9.426 4.850 2.756 1.00 0.00 H new ATOM 0 HG21 THR A 27 -10.377 6.022 0.387 1.00 0.00 H new ATOM 0 HG22 THR A 27 -9.027 6.725 -0.535 1.00 0.00 H new ATOM 0 HG23 THR A 27 -9.214 4.958 -0.440 1.00 0.00 H new ATOM 392 N PRO A 28 -6.059 5.681 3.300 1.00 0.00 N ATOM 393 CA PRO A 28 -5.343 5.123 4.434 1.00 0.00 C ATOM 394 C PRO A 28 -6.180 4.055 5.141 1.00 0.00 C ATOM 395 O PRO A 28 -6.191 3.981 6.369 1.00 0.00 O ATOM 396 CB PRO A 28 -5.026 6.314 5.324 1.00 0.00 C ATOM 397 CG PRO A 28 -5.975 7.421 4.892 1.00 0.00 C ATOM 398 CD PRO A 28 -6.583 7.019 3.558 1.00 0.00 C ATOM 0 HA PRO A 28 -4.429 4.607 4.141 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -5.169 6.065 6.375 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -3.987 6.623 5.208 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -6.756 7.568 5.639 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -5.441 8.367 4.799 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -7.672 7.016 3.604 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -6.300 7.714 2.768 1.00 0.00 H new ATOM 406 N LYS A 29 -6.861 3.253 4.335 1.00 0.00 N ATOM 407 CA LYS A 29 -7.699 2.193 4.867 1.00 0.00 C ATOM 408 C LYS A 29 -8.322 1.411 3.709 1.00 0.00 C ATOM 409 O LYS A 29 -8.342 0.181 3.725 1.00 0.00 O ATOM 410 CB LYS A 29 -8.725 2.762 5.848 1.00 0.00 C ATOM 411 CG LYS A 29 -9.101 1.728 6.911 1.00 0.00 C ATOM 412 CD LYS A 29 -10.378 0.980 6.522 1.00 0.00 C ATOM 413 CE LYS A 29 -10.898 0.140 7.690 1.00 0.00 C ATOM 414 NZ LYS A 29 -11.226 -1.230 7.238 1.00 0.00 N ATOM 0 H LYS A 29 -6.849 3.317 3.317 1.00 0.00 H new ATOM 0 HA LYS A 29 -7.100 1.487 5.443 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -8.319 3.652 6.329 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.618 3.072 5.306 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.284 1.018 7.038 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.244 2.224 7.871 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -11.142 1.694 6.214 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -10.180 0.335 5.666 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.147 0.099 8.479 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -11.784 0.610 8.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -11.577 -1.786 8.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -11.959 -1.186 6.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -10.373 -1.682 6.851 1.00 0.00 H new ATOM 428 N GLU A 30 -8.816 2.157 2.732 1.00 0.00 N ATOM 429 CA GLU A 30 -9.438 1.550 1.568 1.00 0.00 C ATOM 430 C GLU A 30 -8.376 0.908 0.672 1.00 0.00 C ATOM 431 O GLU A 30 -8.575 -0.192 0.158 1.00 0.00 O ATOM 432 CB GLU A 30 -10.264 2.575 0.789 1.00 0.00 C ATOM 433 CG GLU A 30 -10.978 1.920 -0.395 1.00 0.00 C ATOM 434 CD GLU A 30 -12.490 2.139 -0.313 1.00 0.00 C ATOM 435 OE1 GLU A 30 -12.908 3.298 -0.524 1.00 0.00 O ATOM 436 OE2 GLU A 30 -13.194 1.142 -0.040 1.00 0.00 O ATOM 0 H GLU A 30 -8.798 3.177 2.723 1.00 0.00 H new ATOM 0 HA GLU A 30 -10.117 0.770 1.910 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -10.998 3.035 1.451 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -9.614 3.373 0.430 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -10.597 2.334 -1.328 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -10.762 0.852 -0.409 1.00 0.00 H new ATOM 443 N CYS A 31 -7.271 1.622 0.514 1.00 0.00 N ATOM 444 CA CYS A 31 -6.178 1.135 -0.311 1.00 0.00 C ATOM 445 C CYS A 31 -5.556 -0.078 0.383 1.00 0.00 C ATOM 446 O CYS A 31 -5.152 -1.035 -0.276 1.00 0.00 O ATOM 447 CB CYS A 31 -5.144 2.230 -0.582 1.00 0.00 C ATOM 448 SG CYS A 31 -3.454 1.620 -0.932 1.00 0.00 S ATOM 0 H CYS A 31 -7.109 2.533 0.943 1.00 0.00 H new ATOM 0 HA CYS A 31 -6.560 0.837 -1.287 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -5.482 2.828 -1.428 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -5.104 2.894 0.281 1.00 0.00 H new ATOM 453 N ASN A 32 -5.499 0.001 1.705 1.00 0.00 N ATOM 454 CA ASN A 32 -4.933 -1.079 2.495 1.00 0.00 C ATOM 455 C ASN A 32 -6.002 -2.150 2.726 1.00 0.00 C ATOM 456 O ASN A 32 -5.717 -3.205 3.292 1.00 0.00 O ATOM 457 CB ASN A 32 -4.466 -0.575 3.862 1.00 0.00 C ATOM 458 CG ASN A 32 -5.227 -1.270 4.992 1.00 0.00 C ATOM 459 OD1 ASN A 32 -4.686 -2.063 5.745 1.00 0.00 O ATOM 460 ND2 ASN A 32 -6.511 -0.928 5.070 1.00 0.00 N ATOM 0 H ASN A 32 -5.835 0.796 2.248 1.00 0.00 H new ATOM 0 HA ASN A 32 -4.081 -1.485 1.950 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -3.397 -0.755 3.974 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -4.616 0.503 3.927 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -7.105 -1.336 5.792 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -6.901 -0.258 4.408 1.00 0.00 H new ATOM 467 N ASN A 33 -7.210 -1.842 2.278 1.00 0.00 N ATOM 468 CA ASN A 33 -8.322 -2.764 2.429 1.00 0.00 C ATOM 469 C ASN A 33 -8.513 -3.544 1.126 1.00 0.00 C ATOM 470 O ASN A 33 -8.795 -4.741 1.150 1.00 0.00 O ATOM 471 CB ASN A 33 -9.622 -2.015 2.726 1.00 0.00 C ATOM 472 CG ASN A 33 -10.827 -2.955 2.646 1.00 0.00 C ATOM 473 OD1 ASN A 33 -10.698 -4.164 2.543 1.00 0.00 O ATOM 474 ND2 ASN A 33 -12.002 -2.334 2.700 1.00 0.00 N ATOM 0 H ASN A 33 -7.443 -0.966 1.810 1.00 0.00 H new ATOM 0 HA ASN A 33 -8.094 -3.434 3.258 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -9.570 -1.568 3.719 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -9.746 -1.198 2.015 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -12.866 -2.873 2.655 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -12.039 -1.318 2.786 1.00 0.00 H new ATOM 481 N ARG A 34 -8.352 -2.833 0.019 1.00 0.00 N ATOM 482 CA ARG A 34 -8.503 -3.443 -1.291 1.00 0.00 C ATOM 483 C ARG A 34 -7.534 -4.617 -1.445 1.00 0.00 C ATOM 484 O ARG A 34 -7.787 -5.539 -2.218 1.00 0.00 O ATOM 485 CB ARG A 34 -8.244 -2.427 -2.405 1.00 0.00 C ATOM 486 CG ARG A 34 -9.194 -2.650 -3.582 1.00 0.00 C ATOM 487 CD ARG A 34 -10.651 -2.679 -3.114 1.00 0.00 C ATOM 488 NE ARG A 34 -11.125 -4.077 -3.019 1.00 0.00 N ATOM 489 CZ ARG A 34 -12.140 -4.476 -2.240 1.00 0.00 C ATOM 490 NH1 ARG A 34 -12.793 -3.584 -1.483 1.00 0.00 N ATOM 491 NH2 ARG A 34 -12.501 -5.766 -2.218 1.00 0.00 N ATOM 0 H ARG A 34 -8.118 -1.840 0.003 1.00 0.00 H new ATOM 0 HA ARG A 34 -9.529 -3.801 -1.373 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -8.371 -1.416 -2.017 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -7.212 -2.510 -2.745 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -9.060 -1.856 -4.317 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -8.949 -3.589 -4.079 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -10.740 -2.190 -2.144 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -11.276 -2.121 -3.811 1.00 0.00 H new ATOM 0 HE ARG A 34 -10.649 -4.782 -3.582 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -12.518 -2.602 -1.500 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -13.566 -3.887 -0.890 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -12.003 -6.445 -2.794 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -13.273 -6.069 -1.625 1.00 0.00 H new ATOM 505 N GLY A 35 -6.443 -4.545 -0.695 1.00 0.00 N ATOM 506 CA GLY A 35 -5.435 -5.590 -0.739 1.00 0.00 C ATOM 507 C GLY A 35 -4.087 -5.032 -1.201 1.00 0.00 C ATOM 508 O GLY A 35 -3.659 -5.287 -2.326 1.00 0.00 O ATOM 0 H GLY A 35 -6.236 -3.779 -0.054 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -5.328 -6.039 0.249 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.756 -6.382 -1.416 1.00 0.00 H new ATOM 512 N CYS A 36 -3.456 -4.282 -0.310 1.00 0.00 N ATOM 513 CA CYS A 36 -2.166 -3.686 -0.613 1.00 0.00 C ATOM 514 C CYS A 36 -1.810 -2.714 0.513 1.00 0.00 C ATOM 515 O CYS A 36 -2.315 -2.837 1.628 1.00 0.00 O ATOM 516 CB CYS A 36 -2.166 -3.001 -1.981 1.00 0.00 C ATOM 517 SG CYS A 36 -0.832 -3.542 -3.111 1.00 0.00 S ATOM 0 H CYS A 36 -3.814 -4.073 0.622 1.00 0.00 H new ATOM 0 HA CYS A 36 -1.407 -4.466 -0.672 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -3.127 -3.183 -2.463 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -2.083 -1.924 -1.832 1.00 0.00 H new ATOM 522 N CYS A 37 -0.942 -1.768 0.183 1.00 0.00 N ATOM 523 CA CYS A 37 -0.512 -0.775 1.152 1.00 0.00 C ATOM 524 C CYS A 37 -0.859 0.611 0.606 1.00 0.00 C ATOM 525 O CYS A 37 -0.902 0.811 -0.607 1.00 0.00 O ATOM 526 CB CYS A 37 0.978 -0.905 1.473 1.00 0.00 C ATOM 527 SG CYS A 37 1.365 -1.994 2.893 1.00 0.00 S ATOM 0 H CYS A 37 -0.525 -1.669 -0.743 1.00 0.00 H new ATOM 0 HA CYS A 37 -1.035 -0.934 2.095 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.494 -1.285 0.591 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.380 0.088 1.674 1.00 0.00 H new ATOM 532 N PHE A 38 -1.098 1.533 1.527 1.00 0.00 N ATOM 533 CA PHE A 38 -1.440 2.894 1.153 1.00 0.00 C ATOM 534 C PHE A 38 -0.373 3.880 1.633 1.00 0.00 C ATOM 535 O PHE A 38 0.553 3.498 2.348 1.00 0.00 O ATOM 536 CB PHE A 38 -2.768 3.226 1.836 1.00 0.00 C ATOM 537 CG PHE A 38 -3.197 4.687 1.686 1.00 0.00 C ATOM 538 CD1 PHE A 38 -3.839 5.095 0.558 1.00 0.00 C ATOM 539 CD2 PHE A 38 -2.937 5.578 2.680 1.00 0.00 C ATOM 540 CE1 PHE A 38 -4.237 6.451 0.419 1.00 0.00 C ATOM 541 CE2 PHE A 38 -3.335 6.934 2.541 1.00 0.00 C ATOM 542 CZ PHE A 38 -3.977 7.342 1.413 1.00 0.00 C ATOM 0 H PHE A 38 -1.061 1.364 2.532 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.509 2.975 0.068 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -3.547 2.585 1.423 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.689 2.988 2.897 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -4.046 4.388 -0.232 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -2.428 5.254 3.576 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -4.746 6.775 -0.477 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -3.128 7.641 3.331 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.280 8.373 1.307 1.00 0.00 H new ATOM 552 N ASP A 39 -0.537 5.128 1.222 1.00 0.00 N ATOM 553 CA ASP A 39 0.400 6.171 1.602 1.00 0.00 C ATOM 554 C ASP A 39 -0.023 7.492 0.955 1.00 0.00 C ATOM 555 O ASP A 39 -0.487 7.509 -0.184 1.00 0.00 O ATOM 556 CB ASP A 39 1.815 5.842 1.121 1.00 0.00 C ATOM 557 CG ASP A 39 2.860 6.924 1.397 1.00 0.00 C ATOM 558 OD1 ASP A 39 2.994 7.818 0.533 1.00 0.00 O ATOM 559 OD2 ASP A 39 3.503 6.833 2.466 1.00 0.00 O ATOM 0 H ASP A 39 -1.306 5.441 0.629 1.00 0.00 H new ATOM 0 HA ASP A 39 0.396 6.247 2.689 1.00 0.00 H new ATOM 0 HB2 ASP A 39 2.138 4.916 1.597 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.783 5.654 0.048 1.00 0.00 H new ATOM 564 N SER A 40 0.152 8.566 1.710 1.00 0.00 N ATOM 565 CA SER A 40 -0.206 9.888 1.225 1.00 0.00 C ATOM 566 C SER A 40 0.907 10.885 1.554 1.00 0.00 C ATOM 567 O SER A 40 0.697 12.096 1.498 1.00 0.00 O ATOM 568 CB SER A 40 -1.532 10.356 1.828 1.00 0.00 C ATOM 569 OG SER A 40 -1.446 10.528 3.240 1.00 0.00 O ATOM 0 H SER A 40 0.537 8.548 2.654 1.00 0.00 H new ATOM 0 HA SER A 40 -0.329 9.833 0.143 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.828 11.298 1.366 1.00 0.00 H new ATOM 0 HB3 SER A 40 -2.311 9.629 1.598 1.00 0.00 H new ATOM 0 HG SER A 40 -2.312 10.829 3.586 1.00 0.00 H new ATOM 575 N ARG A 41 2.067 10.340 1.889 1.00 0.00 N ATOM 576 CA ARG A 41 3.213 11.166 2.227 1.00 0.00 C ATOM 577 C ARG A 41 3.589 12.061 1.044 1.00 0.00 C ATOM 578 O ARG A 41 3.904 13.236 1.226 1.00 0.00 O ATOM 579 CB ARG A 41 4.419 10.306 2.610 1.00 0.00 C ATOM 580 CG ARG A 41 5.231 10.965 3.727 1.00 0.00 C ATOM 581 CD ARG A 41 6.389 10.067 4.166 1.00 0.00 C ATOM 582 NE ARG A 41 7.049 10.640 5.361 1.00 0.00 N ATOM 583 CZ ARG A 41 8.016 10.024 6.053 1.00 0.00 C ATOM 584 NH1 ARG A 41 8.443 8.812 5.674 1.00 0.00 N ATOM 585 NH2 ARG A 41 8.557 10.620 7.124 1.00 0.00 N ATOM 0 H ARG A 41 2.238 9.335 1.934 1.00 0.00 H new ATOM 0 HA ARG A 41 2.936 11.783 3.081 1.00 0.00 H new ATOM 0 HB2 ARG A 41 4.080 9.322 2.934 1.00 0.00 H new ATOM 0 HB3 ARG A 41 5.053 10.153 1.737 1.00 0.00 H new ATOM 0 HG2 ARG A 41 5.620 11.923 3.382 1.00 0.00 H new ATOM 0 HG3 ARG A 41 4.583 11.172 4.579 1.00 0.00 H new ATOM 0 HD2 ARG A 41 6.019 9.066 4.389 1.00 0.00 H new ATOM 0 HD3 ARG A 41 7.110 9.967 3.355 1.00 0.00 H new ATOM 0 HE ARG A 41 6.748 11.562 5.677 1.00 0.00 H new ATOM 0 HH11 ARG A 41 8.032 8.358 4.858 1.00 0.00 H new ATOM 0 HH12 ARG A 41 9.180 8.343 6.201 1.00 0.00 H new ATOM 0 HH21 ARG A 41 8.232 11.543 7.412 1.00 0.00 H new ATOM 0 HH22 ARG A 41 9.294 10.151 7.651 1.00 0.00 H new ATOM 599 N ILE A 42 3.543 11.471 -0.141 1.00 0.00 N ATOM 600 CA ILE A 42 3.875 12.200 -1.354 1.00 0.00 C ATOM 601 C ILE A 42 3.109 11.597 -2.532 1.00 0.00 C ATOM 602 O ILE A 42 3.067 10.378 -2.692 1.00 0.00 O ATOM 603 CB ILE A 42 5.391 12.236 -1.559 1.00 0.00 C ATOM 604 CG1 ILE A 42 6.068 11.057 -0.857 1.00 0.00 C ATOM 605 CG2 ILE A 42 5.973 13.579 -1.115 1.00 0.00 C ATOM 606 CD1 ILE A 42 5.567 9.725 -1.417 1.00 0.00 C ATOM 0 H ILE A 42 3.281 10.496 -0.288 1.00 0.00 H new ATOM 0 HA ILE A 42 3.563 13.241 -1.271 1.00 0.00 H new ATOM 0 HB ILE A 42 5.594 12.135 -2.625 1.00 0.00 H new ATOM 0 HG12 ILE A 42 7.148 11.125 -0.984 1.00 0.00 H new ATOM 0 HG13 ILE A 42 5.869 11.103 0.214 1.00 0.00 H new ATOM 0 HG21 ILE A 42 7.052 13.578 -1.271 1.00 0.00 H new ATOM 0 HG22 ILE A 42 5.523 14.382 -1.699 1.00 0.00 H new ATOM 0 HG23 ILE A 42 5.760 13.736 -0.058 1.00 0.00 H new ATOM 0 HD11 ILE A 42 6.064 8.903 -0.901 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.490 9.649 -1.267 1.00 0.00 H new ATOM 0 HD13 ILE A 42 5.790 9.672 -2.483 1.00 0.00 H new ATOM 618 N PRO A 43 2.505 12.501 -3.349 1.00 0.00 N ATOM 619 CA PRO A 43 1.742 12.071 -4.508 1.00 0.00 C ATOM 620 C PRO A 43 2.670 11.619 -5.638 1.00 0.00 C ATOM 621 O PRO A 43 2.346 10.690 -6.377 1.00 0.00 O ATOM 622 CB PRO A 43 0.889 13.271 -4.885 1.00 0.00 C ATOM 623 CG PRO A 43 1.540 14.472 -4.218 1.00 0.00 C ATOM 624 CD PRO A 43 2.533 13.953 -3.191 1.00 0.00 C ATOM 0 HA PRO A 43 1.116 11.203 -4.301 1.00 0.00 H new ATOM 0 HB2 PRO A 43 0.851 13.398 -5.967 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -0.138 13.143 -4.543 1.00 0.00 H new ATOM 0 HG2 PRO A 43 2.045 15.092 -4.958 1.00 0.00 H new ATOM 0 HG3 PRO A 43 0.787 15.097 -3.739 1.00 0.00 H new ATOM 0 HD2 PRO A 43 3.532 14.352 -3.369 1.00 0.00 H new ATOM 0 HD3 PRO A 43 2.248 14.247 -2.181 1.00 0.00 H new ATOM 632 N GLY A 44 3.804 12.296 -5.736 1.00 0.00 N ATOM 633 CA GLY A 44 4.781 11.975 -6.763 1.00 0.00 C ATOM 634 C GLY A 44 4.931 10.461 -6.923 1.00 0.00 C ATOM 635 O GLY A 44 5.169 9.970 -8.026 1.00 0.00 O ATOM 0 H GLY A 44 4.069 13.066 -5.121 1.00 0.00 H new ATOM 0 HA2 GLY A 44 4.475 12.416 -7.712 1.00 0.00 H new ATOM 0 HA3 GLY A 44 5.744 12.414 -6.503 1.00 0.00 H new ATOM 639 N VAL A 45 4.785 9.762 -5.807 1.00 0.00 N ATOM 640 CA VAL A 45 4.900 8.314 -5.809 1.00 0.00 C ATOM 641 C VAL A 45 3.502 7.694 -5.784 1.00 0.00 C ATOM 642 O VAL A 45 2.510 8.399 -5.600 1.00 0.00 O ATOM 643 CB VAL A 45 5.778 7.857 -4.643 1.00 0.00 C ATOM 644 CG1 VAL A 45 6.878 8.879 -4.351 1.00 0.00 C ATOM 645 CG2 VAL A 45 4.935 7.587 -3.395 1.00 0.00 C ATOM 0 H VAL A 45 4.588 10.172 -4.894 1.00 0.00 H new ATOM 0 HA VAL A 45 5.390 7.972 -6.721 1.00 0.00 H new ATOM 0 HB VAL A 45 6.258 6.922 -4.932 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.488 8.529 -3.518 1.00 0.00 H new ATOM 0 HG12 VAL A 45 7.506 9.000 -5.234 1.00 0.00 H new ATOM 0 HG13 VAL A 45 6.426 9.837 -4.093 1.00 0.00 H new ATOM 0 HG21 VAL A 45 5.584 7.264 -2.581 1.00 0.00 H new ATOM 0 HG22 VAL A 45 4.414 8.499 -3.103 1.00 0.00 H new ATOM 0 HG23 VAL A 45 4.206 6.806 -3.610 1.00 0.00 H new ATOM 655 N PRO A 46 3.465 6.348 -5.975 1.00 0.00 N ATOM 656 CA PRO A 46 2.205 5.626 -5.976 1.00 0.00 C ATOM 657 C PRO A 46 1.660 5.473 -4.554 1.00 0.00 C ATOM 658 O PRO A 46 1.968 4.499 -3.869 1.00 0.00 O ATOM 659 CB PRO A 46 2.514 4.294 -6.639 1.00 0.00 C ATOM 660 CG PRO A 46 4.024 4.133 -6.565 1.00 0.00 C ATOM 661 CD PRO A 46 4.619 5.482 -6.195 1.00 0.00 C ATOM 0 HA PRO A 46 1.420 6.153 -6.518 1.00 0.00 H new ATOM 0 HB2 PRO A 46 2.008 3.476 -6.126 1.00 0.00 H new ATOM 0 HB3 PRO A 46 2.170 4.283 -7.673 1.00 0.00 H new ATOM 0 HG2 PRO A 46 4.292 3.381 -5.823 1.00 0.00 H new ATOM 0 HG3 PRO A 46 4.419 3.791 -7.522 1.00 0.00 H new ATOM 0 HD2 PRO A 46 5.237 5.410 -5.300 1.00 0.00 H new ATOM 0 HD3 PRO A 46 5.256 5.866 -6.992 1.00 0.00 H new ATOM 669 N TRP A 47 0.860 6.450 -4.153 1.00 0.00 N ATOM 670 CA TRP A 47 0.269 6.437 -2.826 1.00 0.00 C ATOM 671 C TRP A 47 0.049 4.978 -2.421 1.00 0.00 C ATOM 672 O TRP A 47 0.541 4.537 -1.383 1.00 0.00 O ATOM 673 CB TRP A 47 -1.015 7.268 -2.788 1.00 0.00 C ATOM 674 CG TRP A 47 -0.790 8.747 -2.467 1.00 0.00 C ATOM 675 CD1 TRP A 47 0.298 9.488 -2.713 1.00 0.00 C ATOM 676 CD2 TRP A 47 -1.726 9.639 -1.827 1.00 0.00 C ATOM 677 NE1 TRP A 47 0.134 10.788 -2.280 1.00 0.00 N ATOM 678 CE2 TRP A 47 -1.137 10.883 -1.724 1.00 0.00 C ATOM 679 CE3 TRP A 47 -3.028 9.404 -1.350 1.00 0.00 C ATOM 680 CZ2 TRP A 47 -1.774 11.988 -1.148 1.00 0.00 C ATOM 681 CZ3 TRP A 47 -3.651 10.518 -0.777 1.00 0.00 C ATOM 682 CH2 TRP A 47 -3.072 11.777 -0.666 1.00 0.00 C ATOM 0 H TRP A 47 0.607 7.256 -4.724 1.00 0.00 H new ATOM 0 HA TRP A 47 0.938 6.903 -2.102 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -1.516 7.188 -3.753 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -1.688 6.844 -2.043 1.00 0.00 H new ATOM 0 HD1 TRP A 47 1.192 9.115 -3.191 1.00 0.00 H new ATOM 0 HE1 TRP A 47 0.819 11.540 -2.354 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -3.509 8.440 -1.420 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -1.291 12.951 -1.079 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -4.653 10.391 -0.394 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -3.620 12.588 -0.210 1.00 0.00 H new ATOM 693 N CYS A 48 -0.691 4.269 -3.261 1.00 0.00 N ATOM 694 CA CYS A 48 -0.982 2.869 -3.004 1.00 0.00 C ATOM 695 C CYS A 48 0.087 2.021 -3.697 1.00 0.00 C ATOM 696 O CYS A 48 0.118 1.937 -4.924 1.00 0.00 O ATOM 697 CB CYS A 48 -2.393 2.492 -3.459 1.00 0.00 C ATOM 698 SG CYS A 48 -3.088 1.003 -2.653 1.00 0.00 S ATOM 0 H CYS A 48 -1.098 4.638 -4.120 1.00 0.00 H new ATOM 0 HA CYS A 48 -0.955 2.680 -1.931 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -3.058 3.334 -3.269 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -2.381 2.332 -4.537 1.00 0.00 H new ATOM 703 N PHE A 49 0.935 1.414 -2.881 1.00 0.00 N ATOM 704 CA PHE A 49 2.002 0.575 -3.400 1.00 0.00 C ATOM 705 C PHE A 49 2.025 -0.783 -2.695 1.00 0.00 C ATOM 706 O PHE A 49 1.396 -0.955 -1.652 1.00 0.00 O ATOM 707 CB PHE A 49 3.319 1.303 -3.121 1.00 0.00 C ATOM 708 CG PHE A 49 3.433 1.862 -1.702 1.00 0.00 C ATOM 709 CD1 PHE A 49 3.564 1.015 -0.646 1.00 0.00 C ATOM 710 CD2 PHE A 49 3.402 3.206 -1.496 1.00 0.00 C ATOM 711 CE1 PHE A 49 3.670 1.535 0.672 1.00 0.00 C ATOM 712 CE2 PHE A 49 3.507 3.725 -0.178 1.00 0.00 C ATOM 713 CZ PHE A 49 3.639 2.879 0.878 1.00 0.00 C ATOM 0 H PHE A 49 0.905 1.486 -1.864 1.00 0.00 H new ATOM 0 HA PHE A 49 1.852 0.399 -4.465 1.00 0.00 H new ATOM 0 HB2 PHE A 49 4.146 0.616 -3.297 1.00 0.00 H new ATOM 0 HB3 PHE A 49 3.428 2.121 -3.833 1.00 0.00 H new ATOM 0 HD1 PHE A 49 3.587 -0.052 -0.809 1.00 0.00 H new ATOM 0 HD2 PHE A 49 3.298 3.879 -2.335 1.00 0.00 H new ATOM 0 HE1 PHE A 49 3.775 0.863 1.511 1.00 0.00 H new ATOM 0 HE2 PHE A 49 3.482 4.792 -0.015 1.00 0.00 H new ATOM 0 HZ PHE A 49 3.719 3.274 1.880 1.00 0.00 H new ATOM 723 N LYS A 50 2.757 -1.712 -3.293 1.00 0.00 N ATOM 724 CA LYS A 50 2.869 -3.049 -2.735 1.00 0.00 C ATOM 725 C LYS A 50 3.620 -2.980 -1.404 1.00 0.00 C ATOM 726 O LYS A 50 4.276 -1.982 -1.108 1.00 0.00 O ATOM 727 CB LYS A 50 3.504 -4.001 -3.751 1.00 0.00 C ATOM 728 CG LYS A 50 2.808 -3.897 -5.109 1.00 0.00 C ATOM 729 CD LYS A 50 3.214 -5.055 -6.023 1.00 0.00 C ATOM 730 CE LYS A 50 2.380 -6.304 -5.730 1.00 0.00 C ATOM 731 NZ LYS A 50 2.274 -7.152 -6.938 1.00 0.00 N ATOM 0 H LYS A 50 3.278 -1.565 -4.158 1.00 0.00 H new ATOM 0 HA LYS A 50 1.881 -3.458 -2.523 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.563 -3.767 -3.862 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.441 -5.025 -3.384 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.727 -3.901 -4.969 1.00 0.00 H new ATOM 0 HG3 LYS A 50 3.064 -2.949 -5.582 1.00 0.00 H new ATOM 0 HD2 LYS A 50 3.084 -4.763 -7.065 1.00 0.00 H new ATOM 0 HD3 LYS A 50 4.272 -5.279 -5.884 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.837 -6.871 -4.919 1.00 0.00 H new ATOM 0 HE3 LYS A 50 1.385 -6.013 -5.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.705 -7.995 -6.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 1.818 -6.613 -7.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 3.225 -7.445 -7.241 1.00 0.00 H new ATOM 745 N PRO A 51 3.496 -4.082 -0.616 1.00 0.00 N ATOM 746 CA PRO A 51 4.155 -4.156 0.677 1.00 0.00 C ATOM 747 C PRO A 51 5.656 -4.399 0.514 1.00 0.00 C ATOM 748 O PRO A 51 6.066 -5.347 -0.155 1.00 0.00 O ATOM 749 CB PRO A 51 3.448 -5.280 1.415 1.00 0.00 C ATOM 750 CG PRO A 51 2.738 -6.098 0.348 1.00 0.00 C ATOM 751 CD PRO A 51 2.728 -5.282 -0.934 1.00 0.00 C ATOM 0 HA PRO A 51 4.086 -3.224 1.238 1.00 0.00 H new ATOM 0 HB2 PRO A 51 4.160 -5.893 1.967 1.00 0.00 H new ATOM 0 HB3 PRO A 51 2.738 -4.884 2.141 1.00 0.00 H new ATOM 0 HG2 PRO A 51 3.249 -7.048 0.192 1.00 0.00 H new ATOM 0 HG3 PRO A 51 1.720 -6.331 0.660 1.00 0.00 H new ATOM 0 HD2 PRO A 51 3.179 -5.834 -1.758 1.00 0.00 H new ATOM 0 HD3 PRO A 51 1.711 -5.033 -1.237 1.00 0.00 H new ATOM 759 N LEU A 52 6.436 -3.527 1.136 1.00 0.00 N ATOM 760 CA LEU A 52 7.883 -3.635 1.068 1.00 0.00 C ATOM 761 C LEU A 52 8.281 -5.113 1.070 1.00 0.00 C ATOM 762 O LEU A 52 7.791 -5.890 1.888 1.00 0.00 O ATOM 763 CB LEU A 52 8.535 -2.822 2.189 1.00 0.00 C ATOM 764 CG LEU A 52 9.992 -3.164 2.506 1.00 0.00 C ATOM 765 CD1 LEU A 52 10.640 -2.068 3.355 1.00 0.00 C ATOM 766 CD2 LEU A 52 10.101 -4.540 3.165 1.00 0.00 C ATOM 0 H LEU A 52 6.093 -2.742 1.690 1.00 0.00 H new ATOM 0 HA LEU A 52 8.253 -3.205 0.137 1.00 0.00 H new ATOM 0 HB2 LEU A 52 8.480 -1.766 1.924 1.00 0.00 H new ATOM 0 HB3 LEU A 52 7.946 -2.954 3.097 1.00 0.00 H new ATOM 0 HG LEU A 52 10.544 -3.212 1.567 1.00 0.00 H new ATOM 0 HD11 LEU A 52 11.675 -2.336 3.566 1.00 0.00 H new ATOM 0 HD12 LEU A 52 10.613 -1.123 2.812 1.00 0.00 H new ATOM 0 HD13 LEU A 52 10.094 -1.963 4.292 1.00 0.00 H new ATOM 0 HD21 LEU A 52 11.147 -4.759 3.380 1.00 0.00 H new ATOM 0 HD22 LEU A 52 9.531 -4.545 4.094 1.00 0.00 H new ATOM 0 HD23 LEU A 52 9.703 -5.299 2.491 1.00 0.00 H new ATOM 778 N GLN A 53 9.164 -5.456 0.144 1.00 0.00 N ATOM 779 CA GLN A 53 9.633 -6.826 0.028 1.00 0.00 C ATOM 780 C GLN A 53 10.414 -7.228 1.281 1.00 0.00 C ATOM 781 O GLN A 53 11.642 -7.300 1.254 1.00 0.00 O ATOM 782 CB GLN A 53 10.482 -7.011 -1.231 1.00 0.00 C ATOM 783 CG GLN A 53 9.665 -7.653 -2.354 1.00 0.00 C ATOM 784 CD GLN A 53 8.368 -6.880 -2.599 1.00 0.00 C ATOM 785 OE1 GLN A 53 7.295 -7.445 -2.738 1.00 0.00 O ATOM 786 NE2 GLN A 53 8.525 -5.560 -2.645 1.00 0.00 N ATOM 0 H GLN A 53 9.567 -4.808 -0.533 1.00 0.00 H new ATOM 0 HA GLN A 53 8.765 -7.480 -0.060 1.00 0.00 H new ATOM 0 HB2 GLN A 53 10.864 -6.045 -1.561 1.00 0.00 H new ATOM 0 HB3 GLN A 53 11.346 -7.635 -1.003 1.00 0.00 H new ATOM 0 HG2 GLN A 53 10.256 -7.678 -3.270 1.00 0.00 H new ATOM 0 HG3 GLN A 53 9.433 -8.686 -2.095 1.00 0.00 H new ATOM 0 HE21 GLN A 53 9.452 -5.152 -2.521 1.00 0.00 H new ATOM 0 HE22 GLN A 53 7.719 -4.956 -2.805 1.00 0.00 H new ATOM 795 N GLU A 54 9.671 -7.478 2.349 1.00 0.00 N ATOM 796 CA GLU A 54 10.279 -7.870 3.609 1.00 0.00 C ATOM 797 C GLU A 54 11.367 -8.919 3.370 1.00 0.00 C ATOM 798 O GLU A 54 11.084 -10.010 2.878 1.00 0.00 O ATOM 799 CB GLU A 54 9.225 -8.387 4.589 1.00 0.00 C ATOM 800 CG GLU A 54 8.931 -9.868 4.347 1.00 0.00 C ATOM 801 CD GLU A 54 7.658 -10.301 5.077 1.00 0.00 C ATOM 802 OE1 GLU A 54 6.746 -9.453 5.180 1.00 0.00 O ATOM 803 OE2 GLU A 54 7.626 -11.471 5.517 1.00 0.00 O ATOM 0 H GLU A 54 8.653 -7.417 2.368 1.00 0.00 H new ATOM 0 HA GLU A 54 10.742 -6.990 4.056 1.00 0.00 H new ATOM 0 HB2 GLU A 54 9.573 -8.244 5.612 1.00 0.00 H new ATOM 0 HB3 GLU A 54 8.308 -7.808 4.481 1.00 0.00 H new ATOM 0 HG2 GLU A 54 8.821 -10.051 3.278 1.00 0.00 H new ATOM 0 HG3 GLU A 54 9.773 -10.470 4.689 1.00 0.00 H new ATOM 810 N ALA A 55 12.588 -8.551 3.729 1.00 0.00 N ATOM 811 CA ALA A 55 13.719 -9.447 3.560 1.00 0.00 C ATOM 812 C ALA A 55 14.872 -8.981 4.452 1.00 0.00 C ATOM 813 O ALA A 55 15.211 -9.645 5.430 1.00 0.00 O ATOM 814 CB ALA A 55 14.111 -9.501 2.082 1.00 0.00 C ATOM 0 H ALA A 55 12.819 -7.645 4.136 1.00 0.00 H new ATOM 0 HA ALA A 55 13.455 -10.460 3.865 1.00 0.00 H new ATOM 0 HB1 ALA A 55 14.960 -10.173 1.955 1.00 0.00 H new ATOM 0 HB2 ALA A 55 13.268 -9.866 1.495 1.00 0.00 H new ATOM 0 HB3 ALA A 55 14.385 -8.502 1.742 1.00 0.00 H new ATOM 820 N GLU A 56 15.441 -7.844 4.082 1.00 0.00 N ATOM 821 CA GLU A 56 16.548 -7.281 4.837 1.00 0.00 C ATOM 822 C GLU A 56 16.236 -7.304 6.334 1.00 0.00 C ATOM 823 O GLU A 56 17.009 -7.843 7.125 1.00 0.00 O ATOM 824 CB GLU A 56 16.868 -5.861 4.365 1.00 0.00 C ATOM 825 CG GLU A 56 15.617 -4.980 4.392 1.00 0.00 C ATOM 826 CD GLU A 56 15.698 -3.880 3.331 1.00 0.00 C ATOM 827 OE1 GLU A 56 15.314 -4.173 2.179 1.00 0.00 O ATOM 828 OE2 GLU A 56 16.144 -2.771 3.697 1.00 0.00 O ATOM 0 H GLU A 56 15.157 -7.297 3.269 1.00 0.00 H new ATOM 0 HA GLU A 56 17.431 -7.895 4.661 1.00 0.00 H new ATOM 0 HB2 GLU A 56 17.637 -5.426 5.003 1.00 0.00 H new ATOM 0 HB3 GLU A 56 17.273 -5.893 3.354 1.00 0.00 H new ATOM 0 HG2 GLU A 56 14.732 -5.593 4.219 1.00 0.00 H new ATOM 0 HG3 GLU A 56 15.505 -4.531 5.379 1.00 0.00 H new ATOM 835 N CYS A 57 15.101 -6.714 6.679 1.00 0.00 N ATOM 836 CA CYS A 57 14.677 -6.660 8.068 1.00 0.00 C ATOM 837 C CYS A 57 13.391 -5.834 8.146 1.00 0.00 C ATOM 838 O CYS A 57 12.979 -5.226 7.159 1.00 0.00 O ATOM 839 CB CYS A 57 15.774 -6.095 8.973 1.00 0.00 C ATOM 840 SG CYS A 57 16.170 -7.125 10.432 1.00 0.00 S ATOM 0 H CYS A 57 14.462 -6.269 6.020 1.00 0.00 H new ATOM 0 HA CYS A 57 14.482 -7.669 8.431 1.00 0.00 H new ATOM 0 HB2 CYS A 57 16.680 -5.963 8.382 1.00 0.00 H new ATOM 0 HB3 CYS A 57 15.469 -5.106 9.316 1.00 0.00 H new ATOM 0 HG CYS A 57 17.111 -6.554 11.124 1.00 0.00 H new ATOM 845 N THR A 58 12.794 -5.840 9.328 1.00 0.00 N ATOM 846 CA THR A 58 11.563 -5.099 9.548 1.00 0.00 C ATOM 847 C THR A 58 11.867 -3.728 10.156 1.00 0.00 C ATOM 848 O THR A 58 13.019 -3.423 10.465 1.00 0.00 O ATOM 849 CB THR A 58 10.643 -5.958 10.417 1.00 0.00 C ATOM 850 OG1 THR A 58 11.449 -6.304 11.540 1.00 0.00 O ATOM 851 CG2 THR A 58 10.312 -7.303 9.768 1.00 0.00 C ATOM 0 H THR A 58 13.139 -6.346 10.144 1.00 0.00 H new ATOM 0 HA THR A 58 11.050 -4.896 8.608 1.00 0.00 H new ATOM 0 HB THR A 58 9.720 -5.414 10.615 1.00 0.00 H new ATOM 0 HG1 THR A 58 10.929 -6.861 12.157 1.00 0.00 H new ATOM 0 HG21 THR A 58 9.656 -7.873 10.426 1.00 0.00 H new ATOM 0 HG22 THR A 58 9.811 -7.134 8.815 1.00 0.00 H new ATOM 0 HG23 THR A 58 11.232 -7.862 9.600 1.00 0.00 H new ATOM 859 N PHE A 59 10.815 -2.937 10.309 1.00 0.00 N ATOM 860 CA PHE A 59 10.955 -1.606 10.874 1.00 0.00 C ATOM 861 C PHE A 59 11.720 -1.650 12.199 1.00 0.00 C ATOM 862 O PHE A 59 11.557 -2.584 12.983 1.00 0.00 O ATOM 863 CB PHE A 59 9.543 -1.078 11.132 1.00 0.00 C ATOM 864 CG PHE A 59 9.476 0.431 11.374 1.00 0.00 C ATOM 865 CD1 PHE A 59 9.774 0.937 12.601 1.00 0.00 C ATOM 866 CD2 PHE A 59 9.120 1.267 10.362 1.00 0.00 C ATOM 867 CE1 PHE A 59 9.713 2.337 12.825 1.00 0.00 C ATOM 868 CE2 PHE A 59 9.059 2.668 10.587 1.00 0.00 C ATOM 869 CZ PHE A 59 9.357 3.173 11.813 1.00 0.00 C ATOM 0 H PHE A 59 9.862 -3.193 10.051 1.00 0.00 H new ATOM 0 HA PHE A 59 11.509 -0.967 10.186 1.00 0.00 H new ATOM 0 HB2 PHE A 59 8.912 -1.327 10.279 1.00 0.00 H new ATOM 0 HB3 PHE A 59 9.126 -1.593 11.998 1.00 0.00 H new ATOM 0 HD1 PHE A 59 10.057 0.273 13.405 1.00 0.00 H new ATOM 0 HD2 PHE A 59 8.884 0.866 9.388 1.00 0.00 H new ATOM 0 HE1 PHE A 59 9.949 2.739 13.799 1.00 0.00 H new ATOM 0 HE2 PHE A 59 8.776 3.332 9.784 1.00 0.00 H new ATOM 0 HZ PHE A 59 9.311 4.238 11.984 1.00 0.00 H new TER 879 PHE A 59