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+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot -36:sc= 0.773 USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 GLN : amide:sc= -6.2! C(o=-6.2!,f=-15!) USER MOD Single : A 16 LYS NZ :NH3+ -153:sc= 1.18 (180deg=0.92) USER MOD Single : A 23 TYR OH : rot -156:sc= -0.041 USER MOD Single : A 25 HIS : no HD1:sc= -8.78! C(o=-8.8!,f=-6.2!) USER MOD Single : A 27 THR OG1 : rot 150:sc= -0.868 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -9! C(o=-9!,f=-20!) USER MOD Single : A 33 ASN : amide:sc= -0.0453 X(o=-0.045,f=0) 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= -1.57! K(o=-1.6!,f=0) USER MOD Single : A 57 CYS SG : rot 37:sc= 0.0688 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 11.194 -16.118 16.690 1.00 0.00 N ATOM 2 CA GLU A 1 10.245 -15.879 15.616 1.00 0.00 C ATOM 3 C GLU A 1 9.224 -14.819 16.036 1.00 0.00 C ATOM 4 O GLU A 1 8.504 -15.000 17.017 1.00 0.00 O ATOM 5 CB GLU A 1 9.549 -17.176 15.201 1.00 0.00 C ATOM 6 CG GLU A 1 10.419 -17.979 14.231 1.00 0.00 C ATOM 7 CD GLU A 1 9.868 -19.394 14.042 1.00 0.00 C ATOM 8 OE1 GLU A 1 8.626 -19.529 14.084 1.00 0.00 O ATOM 9 OE2 GLU A 1 10.700 -20.308 13.860 1.00 0.00 O ATOM 0 H1 GLU A 1 11.881 -16.839 16.392 1.00 0.00 H new ATOM 0 H2 GLU A 1 11.695 -15.234 16.914 1.00 0.00 H new ATOM 0 H3 GLU A 1 10.686 -16.452 17.534 1.00 0.00 H new ATOM 0 HA GLU A 1 10.792 -15.506 14.750 1.00 0.00 H new ATOM 0 HB2 GLU A 1 9.334 -17.777 16.085 1.00 0.00 H new ATOM 0 HB3 GLU A 1 8.592 -16.946 14.732 1.00 0.00 H new ATOM 0 HG2 GLU A 1 10.461 -17.470 13.268 1.00 0.00 H new ATOM 0 HG3 GLU A 1 11.440 -18.030 14.610 1.00 0.00 H new ATOM 16 N GLU A 2 9.195 -13.737 15.273 1.00 0.00 N ATOM 17 CA GLU A 2 8.274 -12.648 15.553 1.00 0.00 C ATOM 18 C GLU A 2 7.768 -12.032 14.248 1.00 0.00 C ATOM 19 O GLU A 2 8.430 -11.176 13.663 1.00 0.00 O ATOM 20 CB GLU A 2 8.931 -11.589 16.441 1.00 0.00 C ATOM 21 CG GLU A 2 8.118 -11.363 17.717 1.00 0.00 C ATOM 22 CD GLU A 2 7.260 -10.101 17.604 1.00 0.00 C ATOM 23 OE1 GLU A 2 7.860 -9.022 17.409 1.00 0.00 O ATOM 24 OE2 GLU A 2 6.023 -10.244 17.714 1.00 0.00 O ATOM 0 H GLU A 2 9.794 -13.591 14.461 1.00 0.00 H new ATOM 0 HA GLU A 2 7.420 -13.051 16.097 1.00 0.00 H new ATOM 0 HB2 GLU A 2 9.942 -11.903 16.700 1.00 0.00 H new ATOM 0 HB3 GLU A 2 9.020 -10.652 15.891 1.00 0.00 H new ATOM 0 HG2 GLU A 2 7.479 -12.226 17.903 1.00 0.00 H new ATOM 0 HG3 GLU A 2 8.791 -11.275 18.570 1.00 0.00 H new ATOM 31 N TYR A 3 6.598 -12.491 13.829 1.00 0.00 N ATOM 32 CA TYR A 3 5.995 -11.995 12.603 1.00 0.00 C ATOM 33 C TYR A 3 5.386 -10.607 12.814 1.00 0.00 C ATOM 34 O TYR A 3 5.007 -10.254 13.929 1.00 0.00 O ATOM 35 CB TYR A 3 4.878 -12.980 12.254 1.00 0.00 C ATOM 36 CG TYR A 3 4.610 -13.111 10.753 1.00 0.00 C ATOM 37 CD1 TYR A 3 5.468 -13.848 9.961 1.00 0.00 C ATOM 38 CD2 TYR A 3 3.511 -12.494 10.192 1.00 0.00 C ATOM 39 CE1 TYR A 3 5.216 -13.971 8.549 1.00 0.00 C ATOM 40 CE2 TYR A 3 3.259 -12.617 8.779 1.00 0.00 C ATOM 41 CZ TYR A 3 4.124 -13.350 8.028 1.00 0.00 C ATOM 42 OH TYR A 3 3.886 -13.466 6.694 1.00 0.00 O ATOM 0 H TYR A 3 6.051 -13.201 14.316 1.00 0.00 H new ATOM 0 HA TYR A 3 6.742 -11.913 11.814 1.00 0.00 H new ATOM 0 HB2 TYR A 3 5.135 -13.961 12.654 1.00 0.00 H new ATOM 0 HB3 TYR A 3 3.960 -12.664 12.750 1.00 0.00 H new ATOM 0 HD1 TYR A 3 6.328 -14.332 10.401 1.00 0.00 H new ATOM 0 HD2 TYR A 3 2.840 -11.919 10.812 1.00 0.00 H new ATOM 0 HE1 TYR A 3 5.879 -14.544 7.918 1.00 0.00 H new ATOM 0 HE2 TYR A 3 2.403 -12.138 8.327 1.00 0.00 H new ATOM 0 HH TYR A 3 3.072 -12.972 6.463 1.00 0.00 H new ATOM 52 N VAL A 4 5.313 -9.857 11.724 1.00 0.00 N ATOM 53 CA VAL A 4 4.757 -8.515 11.775 1.00 0.00 C ATOM 54 C VAL A 4 4.120 -8.180 10.425 1.00 0.00 C ATOM 55 O VAL A 4 4.463 -8.778 9.407 1.00 0.00 O ATOM 56 CB VAL A 4 5.839 -7.516 12.190 1.00 0.00 C ATOM 57 CG1 VAL A 4 6.719 -7.134 10.998 1.00 0.00 C ATOM 58 CG2 VAL A 4 5.220 -6.274 12.835 1.00 0.00 C ATOM 0 H VAL A 4 5.629 -10.153 10.801 1.00 0.00 H new ATOM 0 HA VAL A 4 3.972 -8.455 12.529 1.00 0.00 H new ATOM 0 HB VAL A 4 6.473 -7.999 12.933 1.00 0.00 H new ATOM 0 HG11 VAL A 4 7.480 -6.423 11.320 1.00 0.00 H new ATOM 0 HG12 VAL A 4 7.202 -8.027 10.601 1.00 0.00 H new ATOM 0 HG13 VAL A 4 6.103 -6.679 10.222 1.00 0.00 H new ATOM 0 HG21 VAL A 4 6.011 -5.580 13.121 1.00 0.00 H new ATOM 0 HG22 VAL A 4 4.551 -5.789 12.123 1.00 0.00 H new ATOM 0 HG23 VAL A 4 4.656 -6.567 13.721 1.00 0.00 H new ATOM 68 N GLY A 5 3.202 -7.224 10.461 1.00 0.00 N ATOM 69 CA GLY A 5 2.514 -6.802 9.253 1.00 0.00 C ATOM 70 C GLY A 5 1.985 -5.374 9.395 1.00 0.00 C ATOM 71 O GLY A 5 2.752 -4.415 9.332 1.00 0.00 O ATOM 0 H GLY A 5 2.919 -6.730 11.308 1.00 0.00 H new ATOM 0 HA2 GLY A 5 3.195 -6.859 8.404 1.00 0.00 H new ATOM 0 HA3 GLY A 5 1.687 -7.481 9.045 1.00 0.00 H new ATOM 75 N LEU A 6 0.677 -5.277 9.582 1.00 0.00 N ATOM 76 CA LEU A 6 0.036 -3.981 9.733 1.00 0.00 C ATOM 77 C LEU A 6 0.931 -3.070 10.575 1.00 0.00 C ATOM 78 O LEU A 6 1.606 -3.533 11.493 1.00 0.00 O ATOM 79 CB LEU A 6 -1.378 -4.145 10.294 1.00 0.00 C ATOM 80 CG LEU A 6 -1.528 -5.129 11.457 1.00 0.00 C ATOM 81 CD1 LEU A 6 -1.793 -6.546 10.944 1.00 0.00 C ATOM 82 CD2 LEU A 6 -0.312 -5.072 12.384 1.00 0.00 C ATOM 0 H LEU A 6 0.043 -6.075 9.632 1.00 0.00 H new ATOM 0 HA LEU A 6 -0.086 -3.500 8.763 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.733 -3.168 10.622 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.034 -4.467 9.485 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.395 -4.832 12.047 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.896 -7.226 11.790 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -2.712 -6.555 10.358 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -0.960 -6.868 10.319 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -0.444 -5.781 13.202 1.00 0.00 H new ATOM 0 HD22 LEU A 6 0.586 -5.329 11.822 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -0.210 -4.065 12.789 1.00 0.00 H new ATOM 94 N SER A 7 0.907 -1.790 10.232 1.00 0.00 N ATOM 95 CA SER A 7 1.707 -0.809 10.945 1.00 0.00 C ATOM 96 C SER A 7 3.106 -0.729 10.331 1.00 0.00 C ATOM 97 O SER A 7 3.979 -1.531 10.659 1.00 0.00 O ATOM 98 CB SER A 7 1.800 -1.151 12.434 1.00 0.00 C ATOM 99 OG SER A 7 2.942 -1.951 12.728 1.00 0.00 O ATOM 0 H SER A 7 0.346 -1.410 9.470 1.00 0.00 H new ATOM 0 HA SER A 7 1.220 0.162 10.852 1.00 0.00 H new ATOM 0 HB2 SER A 7 1.843 -0.230 13.015 1.00 0.00 H new ATOM 0 HB3 SER A 7 0.898 -1.680 12.741 1.00 0.00 H new ATOM 0 HG SER A 7 3.108 -2.570 11.986 1.00 0.00 H new ATOM 105 N ALA A 8 3.276 0.246 9.450 1.00 0.00 N ATOM 106 CA ALA A 8 4.554 0.441 8.787 1.00 0.00 C ATOM 107 C ALA A 8 5.159 -0.921 8.443 1.00 0.00 C ATOM 108 O ALA A 8 4.432 -1.888 8.219 1.00 0.00 O ATOM 109 CB ALA A 8 5.471 1.277 9.682 1.00 0.00 C ATOM 0 H ALA A 8 2.550 0.909 9.180 1.00 0.00 H new ATOM 0 HA ALA A 8 4.422 0.988 7.853 1.00 0.00 H new ATOM 0 HB1 ALA A 8 6.430 1.423 9.185 1.00 0.00 H new ATOM 0 HB2 ALA A 8 5.009 2.246 9.872 1.00 0.00 H new ATOM 0 HB3 ALA A 8 5.628 0.758 10.628 1.00 0.00 H new ATOM 115 N ASN A 9 6.483 -0.955 8.413 1.00 0.00 N ATOM 116 CA ASN A 9 7.194 -2.183 8.100 1.00 0.00 C ATOM 117 C ASN A 9 6.850 -2.617 6.674 1.00 0.00 C ATOM 118 O ASN A 9 7.655 -2.449 5.759 1.00 0.00 O ATOM 119 CB ASN A 9 6.786 -3.312 9.049 1.00 0.00 C ATOM 120 CG ASN A 9 7.987 -3.810 9.856 1.00 0.00 C ATOM 121 OD1 ASN A 9 8.944 -4.350 9.324 1.00 0.00 O ATOM 122 ND2 ASN A 9 7.884 -3.601 11.165 1.00 0.00 N ATOM 0 H ASN A 9 7.082 -0.151 8.600 1.00 0.00 H new ATOM 0 HA ASN A 9 8.262 -1.991 8.205 1.00 0.00 H new ATOM 0 HB2 ASN A 9 6.009 -2.959 9.727 1.00 0.00 H new ATOM 0 HB3 ASN A 9 6.360 -4.137 8.477 1.00 0.00 H new ATOM 0 HD21 ASN A 9 8.634 -3.898 11.789 1.00 0.00 H new ATOM 0 HD22 ASN A 9 7.055 -3.143 11.545 1.00 0.00 H new ATOM 129 N GLN A 10 5.653 -3.166 6.529 1.00 0.00 N ATOM 130 CA GLN A 10 5.194 -3.626 5.229 1.00 0.00 C ATOM 131 C GLN A 10 5.014 -2.439 4.280 1.00 0.00 C ATOM 132 O GLN A 10 5.327 -2.535 3.094 1.00 0.00 O ATOM 133 CB GLN A 10 3.896 -4.426 5.358 1.00 0.00 C ATOM 134 CG GLN A 10 2.896 -3.707 6.266 1.00 0.00 C ATOM 135 CD GLN A 10 1.510 -4.347 6.171 1.00 0.00 C ATOM 136 OE1 GLN A 10 0.886 -4.688 7.162 1.00 0.00 O ATOM 137 NE2 GLN A 10 1.065 -4.492 4.926 1.00 0.00 N ATOM 0 H GLN A 10 4.987 -3.303 7.290 1.00 0.00 H new ATOM 0 HA GLN A 10 5.951 -4.289 4.811 1.00 0.00 H new ATOM 0 HB2 GLN A 10 3.456 -4.573 4.372 1.00 0.00 H new ATOM 0 HB3 GLN A 10 4.113 -5.415 5.761 1.00 0.00 H new ATOM 0 HG2 GLN A 10 3.246 -3.741 7.298 1.00 0.00 H new ATOM 0 HG3 GLN A 10 2.835 -2.656 5.985 1.00 0.00 H new ATOM 0 HE21 GLN A 10 1.639 -4.185 4.140 1.00 0.00 H new ATOM 0 HE22 GLN A 10 0.150 -4.910 4.757 1.00 0.00 H new ATOM 146 N CYS A 11 4.510 -1.348 4.837 1.00 0.00 N ATOM 147 CA CYS A 11 4.285 -0.144 4.055 1.00 0.00 C ATOM 148 C CYS A 11 5.240 0.940 4.556 1.00 0.00 C ATOM 149 O CYS A 11 4.841 2.091 4.732 1.00 0.00 O ATOM 150 CB CYS A 11 2.824 0.307 4.119 1.00 0.00 C ATOM 151 SG CYS A 11 1.621 -1.030 4.456 1.00 0.00 S ATOM 0 H CYS A 11 4.251 -1.272 5.821 1.00 0.00 H new ATOM 0 HA CYS A 11 4.488 -0.347 3.003 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.727 1.067 4.894 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.563 0.781 3.173 1.00 0.00 H new ATOM 156 N ALA A 12 6.483 0.536 4.772 1.00 0.00 N ATOM 157 CA ALA A 12 7.498 1.459 5.250 1.00 0.00 C ATOM 158 C ALA A 12 8.530 1.692 4.145 1.00 0.00 C ATOM 159 O ALA A 12 9.731 1.714 4.406 1.00 0.00 O ATOM 160 CB ALA A 12 8.130 0.905 6.529 1.00 0.00 C ATOM 0 H ALA A 12 6.810 -0.419 4.625 1.00 0.00 H new ATOM 0 HA ALA A 12 7.054 2.424 5.496 1.00 0.00 H new ATOM 0 HB1 ALA A 12 8.892 1.597 6.888 1.00 0.00 H new ATOM 0 HB2 ALA A 12 7.361 0.784 7.292 1.00 0.00 H new ATOM 0 HB3 ALA A 12 8.588 -0.062 6.319 1.00 0.00 H new ATOM 166 N VAL A 13 8.023 1.862 2.932 1.00 0.00 N ATOM 167 CA VAL A 13 8.885 2.093 1.786 1.00 0.00 C ATOM 168 C VAL A 13 9.272 3.573 1.735 1.00 0.00 C ATOM 169 O VAL A 13 8.492 4.436 2.132 1.00 0.00 O ATOM 170 CB VAL A 13 8.196 1.611 0.508 1.00 0.00 C ATOM 171 CG1 VAL A 13 9.206 0.984 -0.456 1.00 0.00 C ATOM 172 CG2 VAL A 13 7.065 0.633 0.829 1.00 0.00 C ATOM 0 H VAL A 13 7.026 1.844 2.719 1.00 0.00 H new ATOM 0 HA VAL A 13 9.807 1.519 1.879 1.00 0.00 H new ATOM 0 HB VAL A 13 7.757 2.479 0.017 1.00 0.00 H new ATOM 0 HG11 VAL A 13 8.690 0.650 -1.356 1.00 0.00 H new ATOM 0 HG12 VAL A 13 9.961 1.723 -0.724 1.00 0.00 H new ATOM 0 HG13 VAL A 13 9.687 0.132 0.024 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.593 0.306 -0.097 1.00 0.00 H new ATOM 0 HG22 VAL A 13 7.470 -0.232 1.354 1.00 0.00 H new ATOM 0 HG23 VAL A 13 6.325 1.127 1.459 1.00 0.00 H new ATOM 182 N PRO A 14 10.510 3.826 1.230 1.00 0.00 N ATOM 183 CA PRO A 14 11.010 5.186 1.122 1.00 0.00 C ATOM 184 C PRO A 14 10.346 5.923 -0.042 1.00 0.00 C ATOM 185 O PRO A 14 10.674 7.076 -0.319 1.00 0.00 O ATOM 186 CB PRO A 14 12.513 5.039 0.953 1.00 0.00 C ATOM 187 CG PRO A 14 12.745 3.604 0.507 1.00 0.00 C ATOM 188 CD PRO A 14 11.461 2.828 0.751 1.00 0.00 C ATOM 0 HA PRO A 14 10.778 5.791 1.999 1.00 0.00 H new ATOM 0 HB2 PRO A 14 12.894 5.744 0.214 1.00 0.00 H new ATOM 0 HB3 PRO A 14 13.033 5.246 1.888 1.00 0.00 H new ATOM 0 HG2 PRO A 14 13.016 3.571 -0.548 1.00 0.00 H new ATOM 0 HG3 PRO A 14 13.571 3.160 1.063 1.00 0.00 H new ATOM 0 HD2 PRO A 14 11.107 2.350 -0.163 1.00 0.00 H new ATOM 0 HD3 PRO A 14 11.610 2.038 1.487 1.00 0.00 H new ATOM 196 N ALA A 15 9.425 5.228 -0.693 1.00 0.00 N ATOM 197 CA ALA A 15 8.712 5.803 -1.821 1.00 0.00 C ATOM 198 C ALA A 15 9.499 5.536 -3.106 1.00 0.00 C ATOM 199 O ALA A 15 8.948 5.614 -4.203 1.00 0.00 O ATOM 200 CB ALA A 15 8.487 7.296 -1.575 1.00 0.00 C ATOM 0 H ALA A 15 9.156 4.272 -0.461 1.00 0.00 H new ATOM 0 HA ALA A 15 7.732 5.339 -1.932 1.00 0.00 H new ATOM 0 HB1 ALA A 15 7.952 7.728 -2.421 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.899 7.431 -0.667 1.00 0.00 H new ATOM 0 HB3 ALA A 15 9.449 7.795 -1.461 1.00 0.00 H new ATOM 206 N LYS A 16 10.774 5.225 -2.927 1.00 0.00 N ATOM 207 CA LYS A 16 11.642 4.945 -4.058 1.00 0.00 C ATOM 208 C LYS A 16 11.676 3.436 -4.308 1.00 0.00 C ATOM 209 O LYS A 16 12.499 2.950 -5.083 1.00 0.00 O ATOM 210 CB LYS A 16 13.024 5.564 -3.839 1.00 0.00 C ATOM 211 CG LYS A 16 13.685 4.998 -2.580 1.00 0.00 C ATOM 212 CD LYS A 16 13.980 3.505 -2.740 1.00 0.00 C ATOM 213 CE LYS A 16 15.161 3.083 -1.864 1.00 0.00 C ATOM 214 NZ LYS A 16 15.344 1.615 -1.913 1.00 0.00 N ATOM 0 H LYS A 16 11.227 5.161 -2.015 1.00 0.00 H new ATOM 0 HA LYS A 16 11.250 5.409 -4.963 1.00 0.00 H new ATOM 0 HB2 LYS A 16 13.656 5.368 -4.705 1.00 0.00 H new ATOM 0 HB3 LYS A 16 12.932 6.646 -3.750 1.00 0.00 H new ATOM 0 HG2 LYS A 16 14.611 5.536 -2.378 1.00 0.00 H new ATOM 0 HG3 LYS A 16 13.032 5.153 -1.721 1.00 0.00 H new ATOM 0 HD2 LYS A 16 13.097 2.925 -2.471 1.00 0.00 H new ATOM 0 HD3 LYS A 16 14.200 3.284 -3.784 1.00 0.00 H new ATOM 0 HE2 LYS A 16 16.069 3.580 -2.204 1.00 0.00 H new ATOM 0 HE3 LYS A 16 14.990 3.400 -0.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 15.792 1.291 -1.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 14.418 1.153 -2.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 15.950 1.368 -2.721 1.00 0.00 H new ATOM 228 N ASP A 17 10.773 2.736 -3.637 1.00 0.00 N ATOM 229 CA ASP A 17 10.689 1.293 -3.777 1.00 0.00 C ATOM 230 C ASP A 17 9.223 0.883 -3.931 1.00 0.00 C ATOM 231 O ASP A 17 8.879 -0.284 -3.749 1.00 0.00 O ATOM 232 CB ASP A 17 11.250 0.586 -2.541 1.00 0.00 C ATOM 233 CG ASP A 17 12.514 -0.240 -2.787 1.00 0.00 C ATOM 234 OD1 ASP A 17 12.520 -0.984 -3.792 1.00 0.00 O ATOM 235 OD2 ASP A 17 13.447 -0.109 -1.964 1.00 0.00 O ATOM 0 H ASP A 17 10.093 3.142 -2.994 1.00 0.00 H new ATOM 0 HA ASP A 17 11.271 1.006 -4.653 1.00 0.00 H new ATOM 0 HB2 ASP A 17 11.466 1.335 -1.779 1.00 0.00 H new ATOM 0 HB3 ASP A 17 10.479 -0.069 -2.134 1.00 0.00 H new ATOM 240 N ARG A 18 8.399 1.866 -4.264 1.00 0.00 N ATOM 241 CA ARG A 18 6.978 1.623 -4.444 1.00 0.00 C ATOM 242 C ARG A 18 6.725 0.925 -5.782 1.00 0.00 C ATOM 243 O ARG A 18 7.037 1.470 -6.840 1.00 0.00 O ATOM 244 CB ARG A 18 6.186 2.930 -4.401 1.00 0.00 C ATOM 245 CG ARG A 18 6.656 3.818 -3.247 1.00 0.00 C ATOM 246 CD ARG A 18 6.346 3.171 -1.895 1.00 0.00 C ATOM 247 NE ARG A 18 6.360 4.196 -0.828 1.00 0.00 N ATOM 248 CZ ARG A 18 5.504 5.225 -0.764 1.00 0.00 C ATOM 249 NH1 ARG A 18 4.562 5.373 -1.706 1.00 0.00 N ATOM 250 NH2 ARG A 18 5.590 6.107 0.241 1.00 0.00 N ATOM 0 H ARG A 18 8.689 2.832 -4.414 1.00 0.00 H new ATOM 0 HA ARG A 18 6.645 0.983 -3.627 1.00 0.00 H new ATOM 0 HB2 ARG A 18 6.304 3.462 -5.345 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.124 2.712 -4.288 1.00 0.00 H new ATOM 0 HG2 ARG A 18 7.728 3.994 -3.332 1.00 0.00 H new ATOM 0 HG3 ARG A 18 6.167 4.790 -3.309 1.00 0.00 H new ATOM 0 HD2 ARG A 18 5.371 2.685 -1.930 1.00 0.00 H new ATOM 0 HD3 ARG A 18 7.081 2.396 -1.676 1.00 0.00 H new ATOM 0 HE ARG A 18 7.065 4.114 -0.096 1.00 0.00 H new ATOM 0 HH11 ARG A 18 4.497 4.702 -2.472 1.00 0.00 H new ATOM 0 HH12 ARG A 18 3.911 6.156 -1.657 1.00 0.00 H new ATOM 0 HH21 ARG A 18 6.307 5.995 0.958 1.00 0.00 H new ATOM 0 HH22 ARG A 18 4.938 6.890 0.289 1.00 0.00 H new ATOM 264 N VAL A 19 6.161 -0.271 -5.692 1.00 0.00 N ATOM 265 CA VAL A 19 5.862 -1.049 -6.883 1.00 0.00 C ATOM 266 C VAL A 19 4.529 -0.582 -7.470 1.00 0.00 C ATOM 267 O VAL A 19 4.148 -0.999 -8.563 1.00 0.00 O ATOM 268 CB VAL A 19 5.879 -2.542 -6.550 1.00 0.00 C ATOM 269 CG1 VAL A 19 5.616 -3.385 -7.799 1.00 0.00 C ATOM 270 CG2 VAL A 19 7.199 -2.941 -5.887 1.00 0.00 C ATOM 0 H VAL A 19 5.903 -0.720 -4.813 1.00 0.00 H new ATOM 0 HA VAL A 19 6.625 -0.891 -7.645 1.00 0.00 H new ATOM 0 HB VAL A 19 5.075 -2.736 -5.840 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.633 -4.442 -7.535 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.640 -3.130 -8.211 1.00 0.00 H new ATOM 0 HG13 VAL A 19 6.387 -3.184 -8.543 1.00 0.00 H new ATOM 0 HG21 VAL A 19 7.185 -4.007 -5.661 1.00 0.00 H new ATOM 0 HG22 VAL A 19 8.026 -2.725 -6.563 1.00 0.00 H new ATOM 0 HG23 VAL A 19 7.328 -2.376 -4.964 1.00 0.00 H new ATOM 280 N ASP A 20 3.856 0.276 -6.718 1.00 0.00 N ATOM 281 CA ASP A 20 2.573 0.804 -7.150 1.00 0.00 C ATOM 282 C ASP A 20 1.608 -0.356 -7.404 1.00 0.00 C ATOM 283 O ASP A 20 1.799 -1.133 -8.339 1.00 0.00 O ATOM 284 CB ASP A 20 2.713 1.596 -8.452 1.00 0.00 C ATOM 285 CG ASP A 20 1.401 1.858 -9.194 1.00 0.00 C ATOM 286 OD1 ASP A 20 0.362 1.925 -8.502 1.00 0.00 O ATOM 287 OD2 ASP A 20 1.467 1.987 -10.435 1.00 0.00 O ATOM 0 H ASP A 20 4.175 0.619 -5.812 1.00 0.00 H new ATOM 0 HA ASP A 20 2.198 1.462 -6.366 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.184 2.553 -8.228 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.388 1.057 -9.117 1.00 0.00 H new ATOM 292 N CYS A 21 0.594 -0.438 -6.556 1.00 0.00 N ATOM 293 CA CYS A 21 -0.400 -1.490 -6.676 1.00 0.00 C ATOM 294 C CYS A 21 -1.405 -1.080 -7.755 1.00 0.00 C ATOM 295 O CYS A 21 -2.091 -1.928 -8.324 1.00 0.00 O ATOM 296 CB CYS A 21 -1.085 -1.778 -5.339 1.00 0.00 C ATOM 297 SG CYS A 21 -1.325 -3.553 -4.965 1.00 0.00 S ATOM 0 H CYS A 21 0.439 0.208 -5.782 1.00 0.00 H new ATOM 0 HA CYS A 21 0.086 -2.421 -6.967 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -0.494 -1.330 -4.540 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -2.057 -1.285 -5.331 1.00 0.00 H new ATOM 302 N GLY A 22 -1.459 0.220 -8.005 1.00 0.00 N ATOM 303 CA GLY A 22 -2.369 0.752 -9.005 1.00 0.00 C ATOM 304 C GLY A 22 -3.824 0.616 -8.551 1.00 0.00 C ATOM 305 O GLY A 22 -4.453 -0.416 -8.776 1.00 0.00 O ATOM 0 H GLY A 22 -0.887 0.920 -7.532 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -2.139 1.801 -9.190 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.228 0.224 -9.948 1.00 0.00 H new ATOM 309 N TYR A 23 -4.315 1.673 -7.922 1.00 0.00 N ATOM 310 CA TYR A 23 -5.684 1.685 -7.435 1.00 0.00 C ATOM 311 C TYR A 23 -6.350 3.036 -7.702 1.00 0.00 C ATOM 312 O TYR A 23 -5.690 4.074 -7.674 1.00 0.00 O ATOM 313 CB TYR A 23 -5.596 1.463 -5.924 1.00 0.00 C ATOM 314 CG TYR A 23 -5.639 -0.008 -5.507 1.00 0.00 C ATOM 315 CD1 TYR A 23 -6.821 -0.715 -5.592 1.00 0.00 C ATOM 316 CD2 TYR A 23 -4.495 -0.628 -5.045 1.00 0.00 C ATOM 317 CE1 TYR A 23 -6.861 -2.100 -5.200 1.00 0.00 C ATOM 318 CE2 TYR A 23 -4.535 -2.013 -4.653 1.00 0.00 C ATOM 319 CZ TYR A 23 -5.716 -2.681 -4.750 1.00 0.00 C ATOM 320 OH TYR A 23 -5.754 -3.989 -4.379 1.00 0.00 O ATOM 0 H TYR A 23 -3.789 2.528 -7.738 1.00 0.00 H new ATOM 0 HA TYR A 23 -6.276 0.919 -7.937 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -4.672 1.908 -5.555 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -6.418 1.991 -5.441 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -7.716 -0.230 -5.952 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -3.570 -0.074 -4.978 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -7.779 -2.665 -5.262 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -3.648 -2.510 -4.290 1.00 0.00 H new ATOM 0 HH TYR A 23 -5.033 -4.169 -3.741 1.00 0.00 H new ATOM 330 N PRO A 24 -7.683 2.978 -7.963 1.00 0.00 N ATOM 331 CA PRO A 24 -8.446 4.185 -8.235 1.00 0.00 C ATOM 332 C PRO A 24 -8.696 4.977 -6.950 1.00 0.00 C ATOM 333 O PRO A 24 -8.025 5.976 -6.692 1.00 0.00 O ATOM 334 CB PRO A 24 -9.727 3.700 -8.893 1.00 0.00 C ATOM 335 CG PRO A 24 -9.843 2.225 -8.545 1.00 0.00 C ATOM 336 CD PRO A 24 -8.498 1.767 -8.004 1.00 0.00 C ATOM 0 HA PRO A 24 -7.917 4.879 -8.888 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -10.589 4.257 -8.526 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -9.690 3.845 -9.973 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -10.626 2.068 -7.803 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -10.118 1.645 -9.426 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -8.600 1.324 -7.013 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -8.050 1.010 -8.647 1.00 0.00 H new ATOM 344 N HIS A 25 -9.662 4.502 -6.179 1.00 0.00 N ATOM 345 CA HIS A 25 -10.009 5.154 -4.927 1.00 0.00 C ATOM 346 C HIS A 25 -9.098 4.639 -3.811 1.00 0.00 C ATOM 347 O HIS A 25 -9.486 3.758 -3.045 1.00 0.00 O ATOM 348 CB HIS A 25 -11.495 4.969 -4.612 1.00 0.00 C ATOM 349 CG HIS A 25 -11.845 3.599 -4.083 1.00 0.00 C ATOM 350 ND1 HIS A 25 -12.977 3.355 -3.324 1.00 0.00 N ATOM 351 CD2 HIS A 25 -11.203 2.403 -4.213 1.00 0.00 C ATOM 352 CE1 HIS A 25 -13.003 2.067 -3.016 1.00 0.00 C ATOM 353 NE2 HIS A 25 -11.903 1.478 -3.567 1.00 0.00 N ATOM 0 H HIS A 25 -10.216 3.673 -6.396 1.00 0.00 H new ATOM 0 HA HIS A 25 -9.847 6.228 -5.015 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -11.797 5.718 -3.880 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -12.074 5.157 -5.516 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -10.281 2.236 -4.750 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -13.763 1.570 -2.431 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -11.659 0.490 -3.495 1.00 0.00 H new ATOM 362 N VAL A 26 -7.905 5.211 -3.754 1.00 0.00 N ATOM 363 CA VAL A 26 -6.935 4.822 -2.744 1.00 0.00 C ATOM 364 C VAL A 26 -7.117 5.699 -1.504 1.00 0.00 C ATOM 365 O VAL A 26 -7.355 6.900 -1.618 1.00 0.00 O ATOM 366 CB VAL A 26 -5.521 4.890 -3.323 1.00 0.00 C ATOM 367 CG1 VAL A 26 -5.317 3.821 -4.399 1.00 0.00 C ATOM 368 CG2 VAL A 26 -5.219 6.285 -3.872 1.00 0.00 C ATOM 0 H VAL A 26 -7.587 5.941 -4.391 1.00 0.00 H new ATOM 0 HA VAL A 26 -7.096 3.789 -2.437 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.818 4.690 -2.514 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -4.304 3.891 -4.794 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -5.469 2.833 -3.964 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -6.033 3.976 -5.206 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -4.207 6.305 -4.277 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -5.931 6.528 -4.661 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.303 7.018 -3.070 1.00 0.00 H new ATOM 378 N THR A 27 -6.996 5.064 -0.347 1.00 0.00 N ATOM 379 CA THR A 27 -7.144 5.772 0.914 1.00 0.00 C ATOM 380 C THR A 27 -6.338 5.078 2.013 1.00 0.00 C ATOM 381 O THR A 27 -5.787 3.999 1.797 1.00 0.00 O ATOM 382 CB THR A 27 -8.638 5.873 1.227 1.00 0.00 C ATOM 383 OG1 THR A 27 -8.957 4.610 1.807 1.00 0.00 O ATOM 384 CG2 THR A 27 -9.499 5.931 -0.036 1.00 0.00 C ATOM 0 H THR A 27 -6.797 4.068 -0.256 1.00 0.00 H new ATOM 0 HA THR A 27 -6.742 6.783 0.850 1.00 0.00 H new ATOM 0 HB THR A 27 -8.823 6.760 1.832 1.00 0.00 H new ATOM 0 HG1 THR A 27 -9.691 4.720 2.447 1.00 0.00 H new ATOM 0 HG21 THR A 27 -10.550 6.002 0.243 1.00 0.00 H new ATOM 0 HG22 THR A 27 -9.221 6.804 -0.626 1.00 0.00 H new ATOM 0 HG23 THR A 27 -9.341 5.028 -0.626 1.00 0.00 H new ATOM 392 N PRO A 28 -6.292 5.742 3.199 1.00 0.00 N ATOM 393 CA PRO A 28 -5.562 5.200 4.332 1.00 0.00 C ATOM 394 C PRO A 28 -6.326 4.039 4.972 1.00 0.00 C ATOM 395 O PRO A 28 -6.318 3.883 6.192 1.00 0.00 O ATOM 396 CB PRO A 28 -5.370 6.376 5.275 1.00 0.00 C ATOM 397 CG PRO A 28 -6.395 7.417 4.857 1.00 0.00 C ATOM 398 CD PRO A 28 -6.931 7.021 3.491 1.00 0.00 C ATOM 0 HA PRO A 28 -4.600 4.773 4.048 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -5.520 6.074 6.311 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -4.358 6.774 5.202 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -7.205 7.469 5.585 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -5.939 8.406 4.816 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -8.017 6.927 3.504 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -6.684 7.768 2.737 1.00 0.00 H new ATOM 406 N LYS A 29 -6.968 3.254 4.120 1.00 0.00 N ATOM 407 CA LYS A 29 -7.736 2.112 4.587 1.00 0.00 C ATOM 408 C LYS A 29 -8.315 1.366 3.383 1.00 0.00 C ATOM 409 O LYS A 29 -8.122 0.159 3.245 1.00 0.00 O ATOM 410 CB LYS A 29 -8.791 2.555 5.602 1.00 0.00 C ATOM 411 CG LYS A 29 -9.113 1.428 6.586 1.00 0.00 C ATOM 412 CD LYS A 29 -10.157 0.473 6.005 1.00 0.00 C ATOM 413 CE LYS A 29 -11.140 0.013 7.083 1.00 0.00 C ATOM 414 NZ LYS A 29 -10.687 -1.260 7.687 1.00 0.00 N ATOM 0 H LYS A 29 -6.972 3.386 3.109 1.00 0.00 H new ATOM 0 HA LYS A 29 -7.092 1.411 5.117 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -8.432 3.427 6.148 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.699 2.857 5.080 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.203 0.877 6.823 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.482 1.851 7.520 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.700 0.968 5.200 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.660 -0.393 5.568 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -11.227 0.778 7.855 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -12.131 -0.116 6.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -11.365 -1.559 8.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -10.627 -1.992 6.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -9.751 -1.125 8.119 1.00 0.00 H new ATOM 428 N GLU A 30 -9.013 2.115 2.543 1.00 0.00 N ATOM 429 CA GLU A 30 -9.622 1.540 1.355 1.00 0.00 C ATOM 430 C GLU A 30 -8.545 0.969 0.430 1.00 0.00 C ATOM 431 O GLU A 30 -8.769 -0.035 -0.244 1.00 0.00 O ATOM 432 CB GLU A 30 -10.481 2.573 0.624 1.00 0.00 C ATOM 433 CG GLU A 30 -11.417 1.896 -0.379 1.00 0.00 C ATOM 434 CD GLU A 30 -12.873 2.294 -0.126 1.00 0.00 C ATOM 435 OE1 GLU A 30 -13.180 3.487 -0.334 1.00 0.00 O ATOM 436 OE2 GLU A 30 -13.645 1.395 0.271 1.00 0.00 O ATOM 0 H GLU A 30 -9.171 3.116 2.661 1.00 0.00 H new ATOM 0 HA GLU A 30 -10.277 0.726 1.664 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -11.066 3.142 1.347 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -9.838 3.284 0.105 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -11.131 2.174 -1.393 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -11.314 0.813 -0.304 1.00 0.00 H new ATOM 443 N CYS A 31 -7.398 1.633 0.429 1.00 0.00 N ATOM 444 CA CYS A 31 -6.286 1.205 -0.402 1.00 0.00 C ATOM 445 C CYS A 31 -5.613 0.009 0.275 1.00 0.00 C ATOM 446 O CYS A 31 -5.186 -0.929 -0.395 1.00 0.00 O ATOM 447 CB CYS A 31 -5.299 2.345 -0.659 1.00 0.00 C ATOM 448 SG CYS A 31 -3.596 1.811 -1.063 1.00 0.00 S ATOM 0 H CYS A 31 -7.215 2.464 0.991 1.00 0.00 H new ATOM 0 HA CYS A 31 -6.656 0.906 -1.383 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -5.677 2.956 -1.479 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -5.265 2.983 0.224 1.00 0.00 H new ATOM 453 N ASN A 32 -5.540 0.083 1.596 1.00 0.00 N ATOM 454 CA ASN A 32 -4.926 -0.982 2.372 1.00 0.00 C ATOM 455 C ASN A 32 -5.987 -2.026 2.726 1.00 0.00 C ATOM 456 O ASN A 32 -5.713 -2.966 3.470 1.00 0.00 O ATOM 457 CB ASN A 32 -4.338 -0.443 3.678 1.00 0.00 C ATOM 458 CG ASN A 32 -5.430 -0.250 4.732 1.00 0.00 C ATOM 459 OD1 ASN A 32 -6.523 -0.783 4.635 1.00 0.00 O ATOM 460 ND2 ASN A 32 -5.074 0.540 5.741 1.00 0.00 N ATOM 0 H ASN A 32 -5.896 0.863 2.149 1.00 0.00 H new ATOM 0 HA ASN A 32 -4.129 -1.421 1.772 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -3.583 -1.134 4.054 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -3.836 0.506 3.491 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -5.733 0.732 6.496 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -4.142 0.954 5.760 1.00 0.00 H new ATOM 467 N ASN A 33 -7.176 -1.825 2.177 1.00 0.00 N ATOM 468 CA ASN A 33 -8.279 -2.737 2.425 1.00 0.00 C ATOM 469 C ASN A 33 -8.548 -3.561 1.164 1.00 0.00 C ATOM 470 O ASN A 33 -8.854 -4.749 1.249 1.00 0.00 O ATOM 471 CB ASN A 33 -9.558 -1.973 2.772 1.00 0.00 C ATOM 472 CG ASN A 33 -10.751 -2.924 2.883 1.00 0.00 C ATOM 473 OD1 ASN A 33 -10.958 -3.588 3.886 1.00 0.00 O ATOM 474 ND2 ASN A 33 -11.523 -2.952 1.801 1.00 0.00 N ATOM 0 H ASN A 33 -7.399 -1.043 1.561 1.00 0.00 H new ATOM 0 HA ASN A 33 -8.004 -3.379 3.262 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -9.424 -1.441 3.714 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -9.757 -1.222 2.007 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -12.345 -3.555 1.777 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -11.293 -2.371 0.995 1.00 0.00 H new ATOM 481 N ARG A 34 -8.422 -2.897 0.025 1.00 0.00 N ATOM 482 CA ARG A 34 -8.648 -3.554 -1.252 1.00 0.00 C ATOM 483 C ARG A 34 -7.677 -4.723 -1.427 1.00 0.00 C ATOM 484 O ARG A 34 -7.980 -5.687 -2.128 1.00 0.00 O ATOM 485 CB ARG A 34 -8.471 -2.574 -2.414 1.00 0.00 C ATOM 486 CG ARG A 34 -9.466 -2.870 -3.538 1.00 0.00 C ATOM 487 CD ARG A 34 -9.191 -4.238 -4.167 1.00 0.00 C ATOM 488 NE ARG A 34 -9.680 -4.260 -5.563 1.00 0.00 N ATOM 489 CZ ARG A 34 -9.598 -5.326 -6.371 1.00 0.00 C ATOM 490 NH1 ARG A 34 -9.046 -6.463 -5.926 1.00 0.00 N ATOM 491 NH2 ARG A 34 -10.067 -5.255 -7.624 1.00 0.00 N ATOM 0 H ARG A 34 -8.167 -1.912 -0.041 1.00 0.00 H new ATOM 0 HA ARG A 34 -9.673 -3.925 -1.257 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -8.612 -1.553 -2.058 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -7.453 -2.640 -2.798 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -10.482 -2.844 -3.145 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -9.399 -2.095 -4.301 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -8.122 -4.450 -4.144 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -9.683 -5.019 -3.588 1.00 0.00 H new ATOM 0 HE ARG A 34 -10.106 -3.411 -5.934 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -8.688 -6.517 -4.972 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -8.984 -7.274 -6.541 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -10.487 -4.389 -7.963 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -10.004 -6.067 -8.239 1.00 0.00 H new ATOM 505 N GLY A 35 -6.529 -4.599 -0.777 1.00 0.00 N ATOM 506 CA GLY A 35 -5.511 -5.633 -0.852 1.00 0.00 C ATOM 507 C GLY A 35 -4.161 -5.046 -1.269 1.00 0.00 C ATOM 508 O GLY A 35 -3.708 -5.258 -2.393 1.00 0.00 O ATOM 0 H GLY A 35 -6.281 -3.798 -0.196 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -5.414 -6.124 0.116 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.816 -6.397 -1.567 1.00 0.00 H new ATOM 512 N CYS A 36 -3.557 -4.318 -0.342 1.00 0.00 N ATOM 513 CA CYS A 36 -2.268 -3.698 -0.599 1.00 0.00 C ATOM 514 C CYS A 36 -1.972 -2.716 0.537 1.00 0.00 C ATOM 515 O CYS A 36 -2.521 -2.843 1.630 1.00 0.00 O ATOM 516 CB CYS A 36 -2.233 -3.014 -1.967 1.00 0.00 C ATOM 517 SG CYS A 36 -0.906 -3.600 -3.084 1.00 0.00 S ATOM 0 H CYS A 36 -3.936 -4.143 0.589 1.00 0.00 H new ATOM 0 HA CYS A 36 -1.493 -4.463 -0.628 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -3.195 -3.165 -2.458 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -2.116 -1.941 -1.818 1.00 0.00 H new ATOM 522 N CYS A 37 -1.105 -1.760 0.239 1.00 0.00 N ATOM 523 CA CYS A 37 -0.729 -0.758 1.222 1.00 0.00 C ATOM 524 C CYS A 37 -1.052 0.623 0.648 1.00 0.00 C ATOM 525 O CYS A 37 -1.105 0.796 -0.569 1.00 0.00 O ATOM 526 CB CYS A 37 0.744 -0.881 1.620 1.00 0.00 C ATOM 527 SG CYS A 37 1.078 -2.078 2.963 1.00 0.00 S ATOM 0 H CYS A 37 -0.652 -1.658 -0.669 1.00 0.00 H new ATOM 0 HA CYS A 37 -1.299 -0.912 2.138 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.320 -1.172 0.742 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.106 0.100 1.928 1.00 0.00 H new ATOM 532 N PHE A 38 -1.258 1.570 1.550 1.00 0.00 N ATOM 533 CA PHE A 38 -1.574 2.930 1.149 1.00 0.00 C ATOM 534 C PHE A 38 -0.526 3.914 1.672 1.00 0.00 C ATOM 535 O PHE A 38 0.370 3.531 2.422 1.00 0.00 O ATOM 536 CB PHE A 38 -2.932 3.274 1.764 1.00 0.00 C ATOM 537 CG PHE A 38 -3.337 4.740 1.598 1.00 0.00 C ATOM 538 CD1 PHE A 38 -3.954 5.151 0.457 1.00 0.00 C ATOM 539 CD2 PHE A 38 -3.081 5.633 2.591 1.00 0.00 C ATOM 540 CE1 PHE A 38 -4.330 6.511 0.303 1.00 0.00 C ATOM 541 CE2 PHE A 38 -3.457 6.994 2.437 1.00 0.00 C ATOM 542 CZ PHE A 38 -4.073 7.404 1.297 1.00 0.00 C ATOM 0 H PHE A 38 -1.212 1.423 2.558 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.590 3.003 0.062 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -3.696 2.643 1.309 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.910 3.032 2.827 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -4.158 4.442 -0.332 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -2.592 5.307 3.497 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -4.820 6.837 -0.603 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -3.253 7.703 3.226 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.359 8.439 1.180 1.00 0.00 H new ATOM 552 N ASP A 39 -0.674 5.164 1.257 1.00 0.00 N ATOM 553 CA ASP A 39 0.248 6.206 1.675 1.00 0.00 C ATOM 554 C ASP A 39 -0.196 7.543 1.079 1.00 0.00 C ATOM 555 O ASP A 39 -0.713 7.589 -0.036 1.00 0.00 O ATOM 556 CB ASP A 39 1.667 5.916 1.180 1.00 0.00 C ATOM 557 CG ASP A 39 2.632 7.101 1.253 1.00 0.00 C ATOM 558 OD1 ASP A 39 3.246 7.268 2.329 1.00 0.00 O ATOM 559 OD2 ASP A 39 2.733 7.814 0.231 1.00 0.00 O ATOM 0 H ASP A 39 -1.419 5.478 0.635 1.00 0.00 H new ATOM 0 HA ASP A 39 0.246 6.242 2.764 1.00 0.00 H new ATOM 0 HB2 ASP A 39 2.079 5.094 1.766 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.612 5.574 0.146 1.00 0.00 H new ATOM 564 N SER A 40 0.022 8.599 1.850 1.00 0.00 N ATOM 565 CA SER A 40 -0.350 9.934 1.412 1.00 0.00 C ATOM 566 C SER A 40 0.788 10.915 1.701 1.00 0.00 C ATOM 567 O SER A 40 0.602 12.128 1.620 1.00 0.00 O ATOM 568 CB SER A 40 -1.637 10.399 2.095 1.00 0.00 C ATOM 569 OG SER A 40 -1.472 10.544 3.503 1.00 0.00 O ATOM 0 H SER A 40 0.451 8.557 2.774 1.00 0.00 H new ATOM 0 HA SER A 40 -0.531 9.903 0.338 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.951 11.351 1.667 1.00 0.00 H new ATOM 0 HB3 SER A 40 -2.433 9.682 1.895 1.00 0.00 H new ATOM 0 HG SER A 40 -2.315 10.844 3.902 1.00 0.00 H new ATOM 575 N ARG A 41 1.942 10.353 2.031 1.00 0.00 N ATOM 576 CA ARG A 41 3.110 11.163 2.332 1.00 0.00 C ATOM 577 C ARG A 41 3.434 12.085 1.155 1.00 0.00 C ATOM 578 O ARG A 41 3.587 13.293 1.332 1.00 0.00 O ATOM 579 CB ARG A 41 4.326 10.285 2.633 1.00 0.00 C ATOM 580 CG ARG A 41 5.166 10.880 3.765 1.00 0.00 C ATOM 581 CD ARG A 41 6.660 10.700 3.493 1.00 0.00 C ATOM 582 NE ARG A 41 7.395 11.929 3.867 1.00 0.00 N ATOM 583 CZ ARG A 41 8.722 12.076 3.750 1.00 0.00 C ATOM 584 NH1 ARG A 41 9.468 11.071 3.269 1.00 0.00 N ATOM 585 NH2 ARG A 41 9.303 13.227 4.115 1.00 0.00 N ATOM 0 H ARG A 41 2.093 9.346 2.096 1.00 0.00 H new ATOM 0 HA ARG A 41 2.881 11.761 3.214 1.00 0.00 H new ATOM 0 HB2 ARG A 41 3.996 9.283 2.908 1.00 0.00 H new ATOM 0 HB3 ARG A 41 4.937 10.184 1.736 1.00 0.00 H new ATOM 0 HG2 ARG A 41 4.938 11.940 3.873 1.00 0.00 H new ATOM 0 HG3 ARG A 41 4.904 10.400 4.708 1.00 0.00 H new ATOM 0 HD2 ARG A 41 7.042 9.851 4.061 1.00 0.00 H new ATOM 0 HD3 ARG A 41 6.822 10.477 2.438 1.00 0.00 H new ATOM 0 HE ARG A 41 6.858 12.713 4.237 1.00 0.00 H new ATOM 0 HH11 ARG A 41 9.026 10.195 2.992 1.00 0.00 H new ATOM 0 HH12 ARG A 41 10.478 11.183 3.180 1.00 0.00 H new ATOM 0 HH21 ARG A 41 8.735 13.991 4.482 1.00 0.00 H new ATOM 0 HH22 ARG A 41 10.313 13.339 4.026 1.00 0.00 H new ATOM 599 N ILE A 42 3.528 11.481 -0.020 1.00 0.00 N ATOM 600 CA ILE A 42 3.831 12.233 -1.226 1.00 0.00 C ATOM 601 C ILE A 42 3.071 11.624 -2.406 1.00 0.00 C ATOM 602 O ILE A 42 3.011 10.404 -2.548 1.00 0.00 O ATOM 603 CB ILE A 42 5.343 12.311 -1.443 1.00 0.00 C ATOM 604 CG1 ILE A 42 6.060 11.167 -0.724 1.00 0.00 C ATOM 605 CG2 ILE A 42 5.887 13.679 -1.028 1.00 0.00 C ATOM 606 CD1 ILE A 42 5.591 9.809 -1.250 1.00 0.00 C ATOM 0 H ILE A 42 3.400 10.479 -0.163 1.00 0.00 H new ATOM 0 HA ILE A 42 3.493 13.264 -1.127 1.00 0.00 H new ATOM 0 HB ILE A 42 5.541 12.196 -2.509 1.00 0.00 H new ATOM 0 HG12 ILE A 42 7.137 11.263 -0.864 1.00 0.00 H new ATOM 0 HG13 ILE A 42 5.871 11.231 0.348 1.00 0.00 H new ATOM 0 HG21 ILE A 42 6.964 13.707 -1.193 1.00 0.00 H new ATOM 0 HG22 ILE A 42 5.408 14.457 -1.623 1.00 0.00 H new ATOM 0 HG23 ILE A 42 5.677 13.849 0.028 1.00 0.00 H new ATOM 0 HD11 ILE A 42 6.116 9.013 -0.722 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.518 9.706 -1.087 1.00 0.00 H new ATOM 0 HD13 ILE A 42 5.804 9.739 -2.317 1.00 0.00 H new ATOM 618 N PRO A 43 2.493 12.526 -3.244 1.00 0.00 N ATOM 619 CA PRO A 43 1.739 12.091 -4.408 1.00 0.00 C ATOM 620 C PRO A 43 2.674 11.606 -5.517 1.00 0.00 C ATOM 621 O PRO A 43 2.353 10.661 -6.236 1.00 0.00 O ATOM 622 CB PRO A 43 0.911 13.298 -4.814 1.00 0.00 C ATOM 623 CG PRO A 43 1.572 14.498 -4.156 1.00 0.00 C ATOM 624 CD PRO A 43 2.542 13.979 -3.108 1.00 0.00 C ATOM 0 HA PRO A 43 1.096 11.237 -4.197 1.00 0.00 H new ATOM 0 HB2 PRO A 43 0.889 13.410 -5.898 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -0.122 13.192 -4.484 1.00 0.00 H new ATOM 0 HG2 PRO A 43 2.097 15.099 -4.898 1.00 0.00 H new ATOM 0 HG3 PRO A 43 0.823 15.142 -3.697 1.00 0.00 H new ATOM 0 HD2 PRO A 43 3.549 14.359 -3.278 1.00 0.00 H new ATOM 0 HD3 PRO A 43 2.248 14.293 -2.106 1.00 0.00 H new ATOM 632 N GLY A 44 3.813 12.276 -5.622 1.00 0.00 N ATOM 633 CA GLY A 44 4.797 11.925 -6.632 1.00 0.00 C ATOM 634 C GLY A 44 4.887 10.408 -6.806 1.00 0.00 C ATOM 635 O GLY A 44 4.958 9.911 -7.929 1.00 0.00 O ATOM 0 H GLY A 44 4.076 13.060 -5.024 1.00 0.00 H new ATOM 0 HA2 GLY A 44 4.530 12.388 -7.582 1.00 0.00 H new ATOM 0 HA3 GLY A 44 5.772 12.320 -6.348 1.00 0.00 H new ATOM 639 N VAL A 45 4.882 9.714 -5.677 1.00 0.00 N ATOM 640 CA VAL A 45 4.963 8.263 -5.691 1.00 0.00 C ATOM 641 C VAL A 45 3.549 7.678 -5.692 1.00 0.00 C ATOM 642 O VAL A 45 2.574 8.401 -5.498 1.00 0.00 O ATOM 643 CB VAL A 45 5.811 7.775 -4.514 1.00 0.00 C ATOM 644 CG1 VAL A 45 6.904 8.788 -4.169 1.00 0.00 C ATOM 645 CG2 VAL A 45 4.936 7.477 -3.295 1.00 0.00 C ATOM 0 H VAL A 45 4.823 10.129 -4.747 1.00 0.00 H new ATOM 0 HA VAL A 45 5.459 7.917 -6.598 1.00 0.00 H new ATOM 0 HB VAL A 45 6.297 6.846 -4.813 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.492 8.417 -3.330 1.00 0.00 H new ATOM 0 HG12 VAL A 45 7.554 8.930 -5.032 1.00 0.00 H new ATOM 0 HG13 VAL A 45 6.446 9.740 -3.899 1.00 0.00 H new ATOM 0 HG21 VAL A 45 5.563 7.132 -2.473 1.00 0.00 H new ATOM 0 HG22 VAL A 45 4.410 8.383 -2.995 1.00 0.00 H new ATOM 0 HG23 VAL A 45 4.211 6.703 -3.548 1.00 0.00 H new ATOM 655 N PRO A 46 3.482 6.338 -5.919 1.00 0.00 N ATOM 656 CA PRO A 46 2.204 5.648 -5.948 1.00 0.00 C ATOM 657 C PRO A 46 1.644 5.471 -4.535 1.00 0.00 C ATOM 658 O PRO A 46 1.924 4.474 -3.872 1.00 0.00 O ATOM 659 CB PRO A 46 2.487 4.326 -6.644 1.00 0.00 C ATOM 660 CG PRO A 46 3.991 4.126 -6.563 1.00 0.00 C ATOM 661 CD PRO A 46 4.616 5.450 -6.153 1.00 0.00 C ATOM 0 HA PRO A 46 1.436 6.208 -6.481 1.00 0.00 H new ATOM 0 HB2 PRO A 46 1.957 3.507 -6.157 1.00 0.00 H new ATOM 0 HB3 PRO A 46 2.152 4.351 -7.681 1.00 0.00 H new ATOM 0 HG2 PRO A 46 4.234 3.349 -5.839 1.00 0.00 H new ATOM 0 HG3 PRO A 46 4.385 3.800 -7.525 1.00 0.00 H new ATOM 0 HD2 PRO A 46 5.224 5.340 -5.255 1.00 0.00 H new ATOM 0 HD3 PRO A 46 5.269 5.839 -6.935 1.00 0.00 H new ATOM 669 N TRP A 47 0.861 6.455 -4.116 1.00 0.00 N ATOM 670 CA TRP A 47 0.259 6.421 -2.795 1.00 0.00 C ATOM 671 C TRP A 47 0.042 4.956 -2.411 1.00 0.00 C ATOM 672 O TRP A 47 0.528 4.503 -1.377 1.00 0.00 O ATOM 673 CB TRP A 47 -1.029 7.246 -2.758 1.00 0.00 C ATOM 674 CG TRP A 47 -0.816 8.717 -2.394 1.00 0.00 C ATOM 675 CD1 TRP A 47 0.291 9.455 -2.556 1.00 0.00 C ATOM 676 CD2 TRP A 47 -1.785 9.604 -1.796 1.00 0.00 C ATOM 677 NE1 TRP A 47 0.107 10.748 -2.108 1.00 0.00 N ATOM 678 CE2 TRP A 47 -1.196 10.841 -1.631 1.00 0.00 C ATOM 679 CE3 TRP A 47 -3.115 9.369 -1.407 1.00 0.00 C ATOM 680 CZ2 TRP A 47 -1.862 11.940 -1.075 1.00 0.00 C ATOM 681 CZ3 TRP A 47 -3.767 10.477 -0.853 1.00 0.00 C ATOM 682 CH2 TRP A 47 -3.188 11.729 -0.680 1.00 0.00 C ATOM 0 H TRP A 47 0.630 7.281 -4.669 1.00 0.00 H new ATOM 0 HA TRP A 47 0.919 6.879 -2.059 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -1.512 7.190 -3.733 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -1.714 6.799 -2.037 1.00 0.00 H new ATOM 0 HD1 TRP A 47 1.211 9.085 -2.983 1.00 0.00 H new ATOM 0 HE1 TRP A 47 0.799 11.497 -2.124 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -3.596 8.409 -1.526 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -1.379 12.899 -0.957 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -4.792 10.350 -0.538 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -3.759 12.535 -0.243 1.00 0.00 H new ATOM 693 N CYS A 48 -0.690 4.256 -3.266 1.00 0.00 N ATOM 694 CA CYS A 48 -0.977 2.852 -3.030 1.00 0.00 C ATOM 695 C CYS A 48 0.133 2.019 -3.675 1.00 0.00 C ATOM 696 O CYS A 48 0.328 2.073 -4.888 1.00 0.00 O ATOM 697 CB CYS A 48 -2.361 2.462 -3.554 1.00 0.00 C ATOM 698 SG CYS A 48 -3.144 1.056 -2.682 1.00 0.00 S ATOM 0 H CYS A 48 -1.093 4.636 -4.123 1.00 0.00 H new ATOM 0 HA CYS A 48 -0.999 2.658 -1.958 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -3.019 3.328 -3.481 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -2.277 2.214 -4.612 1.00 0.00 H new ATOM 703 N PHE A 49 0.830 1.269 -2.835 1.00 0.00 N ATOM 704 CA PHE A 49 1.915 0.426 -3.308 1.00 0.00 C ATOM 705 C PHE A 49 1.938 -0.909 -2.561 1.00 0.00 C ATOM 706 O PHE A 49 1.276 -1.062 -1.535 1.00 0.00 O ATOM 707 CB PHE A 49 3.219 1.176 -3.028 1.00 0.00 C ATOM 708 CG PHE A 49 3.318 1.744 -1.610 1.00 0.00 C ATOM 709 CD1 PHE A 49 3.509 0.908 -0.555 1.00 0.00 C ATOM 710 CD2 PHE A 49 3.215 3.085 -1.406 1.00 0.00 C ATOM 711 CE1 PHE A 49 3.601 1.435 0.761 1.00 0.00 C ATOM 712 CE2 PHE A 49 3.307 3.611 -0.091 1.00 0.00 C ATOM 713 CZ PHE A 49 3.499 2.776 0.965 1.00 0.00 C ATOM 0 H PHE A 49 0.665 1.227 -1.829 1.00 0.00 H new ATOM 0 HA PHE A 49 1.787 0.215 -4.370 1.00 0.00 H new ATOM 0 HB2 PHE A 49 4.058 0.501 -3.197 1.00 0.00 H new ATOM 0 HB3 PHE A 49 3.317 1.993 -3.743 1.00 0.00 H new ATOM 0 HD1 PHE A 49 3.591 -0.157 -0.717 1.00 0.00 H new ATOM 0 HD2 PHE A 49 3.063 3.749 -2.244 1.00 0.00 H new ATOM 0 HE1 PHE A 49 3.752 0.771 1.599 1.00 0.00 H new ATOM 0 HE2 PHE A 49 3.224 4.676 0.071 1.00 0.00 H new ATOM 0 HZ PHE A 49 3.570 3.177 1.965 1.00 0.00 H new ATOM 723 N LYS A 50 2.707 -1.841 -3.103 1.00 0.00 N ATOM 724 CA LYS A 50 2.825 -3.158 -2.501 1.00 0.00 C ATOM 725 C LYS A 50 3.640 -3.053 -1.210 1.00 0.00 C ATOM 726 O LYS A 50 4.319 -2.053 -0.980 1.00 0.00 O ATOM 727 CB LYS A 50 3.396 -4.159 -3.508 1.00 0.00 C ATOM 728 CG LYS A 50 2.491 -4.277 -4.736 1.00 0.00 C ATOM 729 CD LYS A 50 2.542 -5.690 -5.321 1.00 0.00 C ATOM 730 CE LYS A 50 2.826 -5.652 -6.824 1.00 0.00 C ATOM 731 NZ LYS A 50 1.968 -6.622 -7.539 1.00 0.00 N ATOM 0 H LYS A 50 3.255 -1.710 -3.953 1.00 0.00 H new ATOM 0 HA LYS A 50 1.842 -3.541 -2.228 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.393 -3.843 -3.815 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.503 -5.135 -3.035 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.465 -4.030 -4.461 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.801 -3.555 -5.492 1.00 0.00 H new ATOM 0 HD2 LYS A 50 3.315 -6.269 -4.816 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.594 -6.197 -5.139 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.648 -4.648 -7.208 1.00 0.00 H new ATOM 0 HE3 LYS A 50 3.876 -5.882 -7.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 2.174 -6.583 -8.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 2.158 -7.581 -7.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.968 -6.385 -7.379 1.00 0.00 H new ATOM 745 N PRO A 51 3.543 -4.126 -0.380 1.00 0.00 N ATOM 746 CA PRO A 51 4.262 -4.163 0.882 1.00 0.00 C ATOM 747 C PRO A 51 5.752 -4.429 0.656 1.00 0.00 C ATOM 748 O PRO A 51 6.121 -5.420 0.027 1.00 0.00 O ATOM 749 CB PRO A 51 3.580 -5.254 1.691 1.00 0.00 C ATOM 750 CG PRO A 51 2.812 -6.099 0.688 1.00 0.00 C ATOM 751 CD PRO A 51 2.748 -5.327 -0.620 1.00 0.00 C ATOM 0 HA PRO A 51 4.229 -3.212 1.413 1.00 0.00 H new ATOM 0 HB2 PRO A 51 4.312 -5.856 2.229 1.00 0.00 H new ATOM 0 HB3 PRO A 51 2.909 -4.826 2.436 1.00 0.00 H new ATOM 0 HG2 PRO A 51 3.306 -7.059 0.541 1.00 0.00 H new ATOM 0 HG3 PRO A 51 1.808 -6.310 1.056 1.00 0.00 H new ATOM 0 HD2 PRO A 51 3.153 -5.912 -1.445 1.00 0.00 H new ATOM 0 HD3 PRO A 51 1.720 -5.076 -0.882 1.00 0.00 H new ATOM 759 N LEU A 52 6.568 -3.527 1.181 1.00 0.00 N ATOM 760 CA LEU A 52 8.009 -3.651 1.045 1.00 0.00 C ATOM 761 C LEU A 52 8.390 -5.133 1.035 1.00 0.00 C ATOM 762 O LEU A 52 7.813 -5.931 1.773 1.00 0.00 O ATOM 763 CB LEU A 52 8.722 -2.840 2.128 1.00 0.00 C ATOM 764 CG LEU A 52 10.239 -3.022 2.214 1.00 0.00 C ATOM 765 CD1 LEU A 52 10.864 -1.984 3.147 1.00 0.00 C ATOM 766 CD2 LEU A 52 10.597 -4.452 2.625 1.00 0.00 C ATOM 0 H LEU A 52 6.258 -2.707 1.702 1.00 0.00 H new ATOM 0 HA LEU A 52 8.339 -3.230 0.096 1.00 0.00 H new ATOM 0 HB2 LEU A 52 8.512 -1.784 1.960 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.289 -3.102 3.094 1.00 0.00 H new ATOM 0 HG LEU A 52 10.660 -2.857 1.222 1.00 0.00 H new ATOM 0 HD11 LEU A 52 11.942 -2.136 3.190 1.00 0.00 H new ATOM 0 HD12 LEU A 52 10.653 -0.983 2.771 1.00 0.00 H new ATOM 0 HD13 LEU A 52 10.442 -2.092 4.146 1.00 0.00 H new ATOM 0 HD21 LEU A 52 11.681 -4.555 2.679 1.00 0.00 H new ATOM 0 HD22 LEU A 52 10.163 -4.669 3.601 1.00 0.00 H new ATOM 0 HD23 LEU A 52 10.202 -5.152 1.888 1.00 0.00 H new ATOM 778 N GLN A 53 9.359 -5.457 0.192 1.00 0.00 N ATOM 779 CA GLN A 53 9.824 -6.829 0.078 1.00 0.00 C ATOM 780 C GLN A 53 10.468 -7.283 1.389 1.00 0.00 C ATOM 781 O GLN A 53 11.689 -7.411 1.474 1.00 0.00 O ATOM 782 CB GLN A 53 10.797 -6.982 -1.093 1.00 0.00 C ATOM 783 CG GLN A 53 10.097 -7.584 -2.313 1.00 0.00 C ATOM 784 CD GLN A 53 9.777 -6.504 -3.349 1.00 0.00 C ATOM 785 OE1 GLN A 53 10.125 -6.603 -4.514 1.00 0.00 O ATOM 786 NE2 GLN A 53 9.096 -5.471 -2.862 1.00 0.00 N ATOM 0 H GLN A 53 9.835 -4.793 -0.419 1.00 0.00 H new ATOM 0 HA GLN A 53 8.964 -7.468 -0.121 1.00 0.00 H new ATOM 0 HB2 GLN A 53 11.215 -6.009 -1.352 1.00 0.00 H new ATOM 0 HB3 GLN A 53 11.631 -7.619 -0.797 1.00 0.00 H new ATOM 0 HG2 GLN A 53 10.733 -8.347 -2.762 1.00 0.00 H new ATOM 0 HG3 GLN A 53 9.177 -8.079 -2.002 1.00 0.00 H new ATOM 0 HE21 GLN A 53 8.836 -5.451 -1.876 1.00 0.00 H new ATOM 0 HE22 GLN A 53 8.834 -4.699 -3.474 1.00 0.00 H new ATOM 795 N GLU A 54 9.619 -7.513 2.380 1.00 0.00 N ATOM 796 CA GLU A 54 10.090 -7.950 3.683 1.00 0.00 C ATOM 797 C GLU A 54 11.219 -8.970 3.525 1.00 0.00 C ATOM 798 O GLU A 54 11.047 -9.995 2.866 1.00 0.00 O ATOM 799 CB GLU A 54 8.944 -8.526 4.516 1.00 0.00 C ATOM 800 CG GLU A 54 8.723 -10.005 4.196 1.00 0.00 C ATOM 801 CD GLU A 54 9.702 -10.887 4.974 1.00 0.00 C ATOM 802 OE1 GLU A 54 9.904 -10.590 6.171 1.00 0.00 O ATOM 803 OE2 GLU A 54 10.225 -11.838 4.354 1.00 0.00 O ATOM 0 H GLU A 54 8.607 -7.405 2.307 1.00 0.00 H new ATOM 0 HA GLU A 54 10.482 -7.083 4.215 1.00 0.00 H new ATOM 0 HB2 GLU A 54 9.166 -8.409 5.577 1.00 0.00 H new ATOM 0 HB3 GLU A 54 8.029 -7.967 4.318 1.00 0.00 H new ATOM 0 HG2 GLU A 54 7.699 -10.285 4.444 1.00 0.00 H new ATOM 0 HG3 GLU A 54 8.849 -10.172 3.126 1.00 0.00 H new ATOM 810 N ALA A 55 12.350 -8.655 4.140 1.00 0.00 N ATOM 811 CA ALA A 55 13.507 -9.532 4.076 1.00 0.00 C ATOM 812 C ALA A 55 14.493 -9.149 5.181 1.00 0.00 C ATOM 813 O ALA A 55 15.649 -8.832 4.903 1.00 0.00 O ATOM 814 CB ALA A 55 14.132 -9.450 2.682 1.00 0.00 C ATOM 0 H ALA A 55 12.490 -7.804 4.685 1.00 0.00 H new ATOM 0 HA ALA A 55 13.213 -10.569 4.241 1.00 0.00 H new ATOM 0 HB1 ALA A 55 15.000 -10.108 2.633 1.00 0.00 H new ATOM 0 HB2 ALA A 55 13.400 -9.760 1.936 1.00 0.00 H new ATOM 0 HB3 ALA A 55 14.442 -8.424 2.482 1.00 0.00 H new ATOM 820 N GLU A 56 14.001 -9.190 6.410 1.00 0.00 N ATOM 821 CA GLU A 56 14.825 -8.852 7.558 1.00 0.00 C ATOM 822 C GLU A 56 15.722 -7.656 7.233 1.00 0.00 C ATOM 823 O GLU A 56 16.873 -7.829 6.835 1.00 0.00 O ATOM 824 CB GLU A 56 15.656 -10.054 8.010 1.00 0.00 C ATOM 825 CG GLU A 56 15.824 -10.064 9.531 1.00 0.00 C ATOM 826 CD GLU A 56 16.138 -11.473 10.038 1.00 0.00 C ATOM 827 OE1 GLU A 56 16.963 -12.143 9.381 1.00 0.00 O ATOM 828 OE2 GLU A 56 15.544 -11.849 11.072 1.00 0.00 O ATOM 0 H GLU A 56 13.042 -9.452 6.636 1.00 0.00 H new ATOM 0 HA GLU A 56 14.169 -8.576 8.383 1.00 0.00 H new ATOM 0 HB2 GLU A 56 15.173 -10.976 7.688 1.00 0.00 H new ATOM 0 HB3 GLU A 56 16.635 -10.024 7.533 1.00 0.00 H new ATOM 0 HG2 GLU A 56 16.626 -9.384 9.816 1.00 0.00 H new ATOM 0 HG3 GLU A 56 14.913 -9.698 10.004 1.00 0.00 H new ATOM 835 N CYS A 57 15.161 -6.469 7.416 1.00 0.00 N ATOM 836 CA CYS A 57 15.896 -5.245 7.147 1.00 0.00 C ATOM 837 C CYS A 57 17.209 -5.291 7.932 1.00 0.00 C ATOM 838 O CYS A 57 17.222 -5.656 9.106 1.00 0.00 O ATOM 839 CB CYS A 57 15.070 -4.003 7.488 1.00 0.00 C ATOM 840 SG CYS A 57 14.081 -4.136 9.022 1.00 0.00 S ATOM 0 H CYS A 57 14.206 -6.329 7.747 1.00 0.00 H new ATOM 0 HA CYS A 57 16.113 -5.175 6.081 1.00 0.00 H new ATOM 0 HB2 CYS A 57 15.743 -3.150 7.579 1.00 0.00 H new ATOM 0 HB3 CYS A 57 14.398 -3.791 6.656 1.00 0.00 H new ATOM 0 HG CYS A 57 14.750 -4.805 9.913 1.00 0.00 H new ATOM 845 N THR A 58 18.282 -4.915 7.251 1.00 0.00 N ATOM 846 CA THR A 58 19.596 -4.908 7.869 1.00 0.00 C ATOM 847 C THR A 58 19.502 -4.422 9.317 1.00 0.00 C ATOM 848 O THR A 58 18.707 -3.536 9.628 1.00 0.00 O ATOM 849 CB THR A 58 20.523 -4.055 7.001 1.00 0.00 C ATOM 850 OG1 THR A 58 21.809 -4.231 7.590 1.00 0.00 O ATOM 851 CG2 THR A 58 20.248 -2.557 7.147 1.00 0.00 C ATOM 0 H THR A 58 18.267 -4.613 6.277 1.00 0.00 H new ATOM 0 HA THR A 58 20.012 -5.914 7.923 1.00 0.00 H new ATOM 0 HB THR A 58 20.410 -4.344 5.956 1.00 0.00 H new ATOM 0 HG1 THR A 58 22.472 -3.713 7.088 1.00 0.00 H new ATOM 0 HG21 THR A 58 20.933 -1.998 6.510 1.00 0.00 H new ATOM 0 HG22 THR A 58 19.221 -2.345 6.850 1.00 0.00 H new ATOM 0 HG23 THR A 58 20.394 -2.260 8.186 1.00 0.00 H new ATOM 859 N PHE A 59 20.325 -5.023 10.164 1.00 0.00 N ATOM 860 CA PHE A 59 20.344 -4.662 11.572 1.00 0.00 C ATOM 861 C PHE A 59 20.182 -3.151 11.753 1.00 0.00 C ATOM 862 O PHE A 59 19.062 -2.648 11.830 1.00 0.00 O ATOM 863 CB PHE A 59 21.707 -5.086 12.123 1.00 0.00 C ATOM 864 CG PHE A 59 21.627 -6.099 13.267 1.00 0.00 C ATOM 865 CD1 PHE A 59 21.379 -5.676 14.535 1.00 0.00 C ATOM 866 CD2 PHE A 59 21.805 -7.424 13.015 1.00 0.00 C ATOM 867 CE1 PHE A 59 21.304 -6.616 15.596 1.00 0.00 C ATOM 868 CE2 PHE A 59 21.731 -8.365 14.076 1.00 0.00 C ATOM 869 CZ PHE A 59 21.482 -7.941 15.344 1.00 0.00 C ATOM 0 H PHE A 59 20.983 -5.757 9.903 1.00 0.00 H new ATOM 0 HA PHE A 59 19.523 -5.153 12.094 1.00 0.00 H new ATOM 0 HB2 PHE A 59 22.298 -5.514 11.313 1.00 0.00 H new ATOM 0 HB3 PHE A 59 22.238 -4.200 12.472 1.00 0.00 H new ATOM 0 HD1 PHE A 59 21.239 -4.624 14.735 1.00 0.00 H new ATOM 0 HD2 PHE A 59 22.003 -7.760 12.008 1.00 0.00 H new ATOM 0 HE1 PHE A 59 21.106 -6.279 16.603 1.00 0.00 H new ATOM 0 HE2 PHE A 59 21.872 -9.417 13.876 1.00 0.00 H new ATOM 0 HZ PHE A 59 21.426 -8.656 16.151 1.00 0.00 H new TER 879 PHE A 59