USER MOD reduce.3.24.130724 H: found=0, std=0, add=516, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 516 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 38 THR OG1 : rot 172:sc= 0.123 USER MOD Set 1.2: A 63 SER OG : rot -120:sc= -0.193 USER MOD Single : A 1 ASN :FLIP amide:sc= -0.0817 F(o=-1,f=-0.082) USER MOD Single : A 1 ASN N :NH3+ 146:sc= 0.0296 (180deg=-0.0969) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 156:sc= -0.0438 (180deg=-0.361) USER MOD Single : A 13 GLN : amide:sc=-0.00159 K(o=-0.0016,f=-0.79) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 104:sc= 0.0782 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.0536 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -150:sc= 1.27 (180deg=-0.209) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= -0.649 K(o=-0.65,f=-1.6) USER MOD Single : A 53 GLN : amide:sc= -0.282 K(o=-0.28,f=-3.5!) USER MOD Single : A 55 LYS NZ :NH3+ 163:sc=-0.00806 (180deg=-0.17) USER MOD Single : A 58 GLN : amide:sc= -1.13 K(o=-1.1,f=-5.2!) USER MOD Single : A 61 SER OG : rot 180:sc= -0.0997 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 69 LYS NZ :NH3+ -131:sc= -0.55 (180deg=-1.26!) USER MOD Single : A 75 HIS : no HD1:sc= -0.718 K(o=-0.72,f=-2.1) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -15.432 -1.469 12.723 1.00 0.00 N ATOM 2 CA ASN A 1 -14.676 -1.499 11.452 1.00 0.00 C ATOM 3 C ASN A 1 -13.813 -2.742 11.404 1.00 0.00 C ATOM 4 O ASN A 1 -13.240 -3.110 12.422 1.00 0.00 O ATOM 5 CB ASN A 1 -13.744 -0.279 11.266 1.00 0.00 C ATOM 6 CG ASN A 1 -13.023 0.112 12.548 1.00 0.00 C ATOM 7 OD1 ASN A 1 -12.082 -0.657 13.043 1.00 0.00 O flip ATOM 8 ND2 ASN A 1 -13.386 1.081 13.176 1.00 0.00 N flip ATOM 0 H1 ASN A 1 -15.543 -0.484 13.038 1.00 0.00 H new ATOM 0 H2 ASN A 1 -16.370 -1.895 12.579 1.00 0.00 H new ATOM 0 H3 ASN A 1 -14.915 -2.007 13.447 1.00 0.00 H new ATOM 0 HA ASN A 1 -15.421 -1.486 10.656 1.00 0.00 H new ATOM 0 HB2 ASN A 1 -13.008 -0.504 10.494 1.00 0.00 H new ATOM 0 HB3 ASN A 1 -14.329 0.569 10.910 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -14.117 1.687 12.802 1.00 0.00 H new ATOM 0 HD22 ASN A 1 -12.961 1.292 14.079 1.00 0.00 H new ATOM 17 N GLU A 2 -13.572 -3.253 10.198 1.00 0.00 N ATOM 18 CA GLU A 2 -12.809 -4.492 9.977 1.00 0.00 C ATOM 19 C GLU A 2 -11.608 -4.291 9.035 1.00 0.00 C ATOM 20 O GLU A 2 -10.619 -5.007 9.131 1.00 0.00 O ATOM 21 CB GLU A 2 -13.714 -5.583 9.376 1.00 0.00 C ATOM 22 CG GLU A 2 -15.186 -5.587 9.814 1.00 0.00 C ATOM 23 CD GLU A 2 -15.352 -5.997 11.272 1.00 0.00 C ATOM 24 OE1 GLU A 2 -15.030 -7.167 11.574 1.00 0.00 O ATOM 25 OE2 GLU A 2 -15.713 -5.091 12.065 1.00 0.00 O ATOM 0 H GLU A 2 -13.901 -2.819 9.336 1.00 0.00 H new ATOM 0 HA GLU A 2 -12.435 -4.795 10.955 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -13.684 -5.488 8.291 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -13.284 -6.554 9.623 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -15.610 -4.593 9.667 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -15.750 -6.271 9.180 1.00 0.00 H new ATOM 32 N CYS A 3 -11.658 -3.278 8.159 1.00 0.00 N ATOM 33 CA CYS A 3 -10.579 -2.927 7.219 1.00 0.00 C ATOM 34 C CYS A 3 -9.236 -2.792 7.977 1.00 0.00 C ATOM 35 O CYS A 3 -8.312 -3.587 7.791 1.00 0.00 O ATOM 36 CB CYS A 3 -10.990 -1.684 6.384 1.00 0.00 C ATOM 37 SG CYS A 3 -12.528 -2.074 5.511 1.00 0.00 S ATOM 0 H CYS A 3 -12.469 -2.664 8.081 1.00 0.00 H new ATOM 0 HA CYS A 3 -10.420 -3.725 6.494 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -11.130 -0.819 7.033 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -10.204 -1.426 5.674 1.00 0.00 H new ATOM 42 N VAL A 4 -9.178 -1.864 8.941 1.00 0.00 N ATOM 43 CA VAL A 4 -8.018 -1.665 9.828 1.00 0.00 C ATOM 44 C VAL A 4 -7.626 -2.917 10.625 1.00 0.00 C ATOM 45 O VAL A 4 -6.444 -3.162 10.816 1.00 0.00 O ATOM 46 CB VAL A 4 -8.265 -0.467 10.768 1.00 0.00 C ATOM 47 CG1 VAL A 4 -9.035 -0.836 12.046 1.00 0.00 C ATOM 48 CG2 VAL A 4 -6.940 0.201 11.129 1.00 0.00 C ATOM 0 H VAL A 4 -9.945 -1.220 9.132 1.00 0.00 H new ATOM 0 HA VAL A 4 -7.168 -1.451 9.181 1.00 0.00 H new ATOM 0 HB VAL A 4 -8.898 0.229 10.217 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -9.172 0.055 12.658 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -10.009 -1.246 11.778 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -8.471 -1.580 12.609 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -7.127 1.045 11.793 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -6.294 -0.519 11.631 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -6.452 0.555 10.221 1.00 0.00 H new ATOM 58 N SER A 5 -8.603 -3.748 11.016 1.00 0.00 N ATOM 59 CA SER A 5 -8.398 -4.998 11.771 1.00 0.00 C ATOM 60 C SER A 5 -7.611 -6.031 10.958 1.00 0.00 C ATOM 61 O SER A 5 -6.923 -6.897 11.498 1.00 0.00 O ATOM 62 CB SER A 5 -9.754 -5.608 12.155 1.00 0.00 C ATOM 63 OG SER A 5 -9.580 -6.646 13.093 1.00 0.00 O ATOM 0 H SER A 5 -9.586 -3.566 10.811 1.00 0.00 H new ATOM 0 HA SER A 5 -7.825 -4.746 12.664 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.401 -4.837 12.573 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.251 -5.994 11.265 1.00 0.00 H new ATOM 0 HG SER A 5 -10.453 -7.024 13.329 1.00 0.00 H new ATOM 69 N LYS A 6 -7.705 -5.947 9.624 1.00 0.00 N ATOM 70 CA LYS A 6 -6.923 -6.772 8.702 1.00 0.00 C ATOM 71 C LYS A 6 -5.688 -6.062 8.146 1.00 0.00 C ATOM 72 O LYS A 6 -4.862 -6.731 7.537 1.00 0.00 O ATOM 73 CB LYS A 6 -7.853 -7.214 7.575 1.00 0.00 C ATOM 74 CG LYS A 6 -8.736 -8.411 7.944 1.00 0.00 C ATOM 75 CD LYS A 6 -8.101 -9.763 7.566 1.00 0.00 C ATOM 76 CE LYS A 6 -7.250 -10.336 8.703 1.00 0.00 C ATOM 77 NZ LYS A 6 -8.103 -10.726 9.855 1.00 0.00 N ATOM 0 H LYS A 6 -8.334 -5.296 9.153 1.00 0.00 H new ATOM 0 HA LYS A 6 -6.533 -7.630 9.250 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -8.490 -6.376 7.291 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -7.255 -7.470 6.701 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -8.932 -8.395 9.016 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -9.699 -8.314 7.442 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -8.887 -10.473 7.308 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -7.482 -9.637 6.678 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -6.694 -11.203 8.346 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -6.516 -9.596 9.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -7.615 -11.452 10.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -8.286 -9.892 10.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -9.005 -11.107 9.506 1.00 0.00 H new ATOM 91 N GLY A 7 -5.552 -4.752 8.354 1.00 0.00 N ATOM 92 CA GLY A 7 -4.451 -3.943 7.829 1.00 0.00 C ATOM 93 C GLY A 7 -4.696 -3.417 6.406 1.00 0.00 C ATOM 94 O GLY A 7 -3.749 -3.250 5.644 1.00 0.00 O ATOM 0 H GLY A 7 -6.219 -4.211 8.905 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.283 -3.097 8.496 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.539 -4.539 7.835 1.00 0.00 H new ATOM 98 N PHE A 8 -5.956 -3.162 6.033 1.00 0.00 N ATOM 99 CA PHE A 8 -6.320 -2.551 4.751 1.00 0.00 C ATOM 100 C PHE A 8 -6.201 -1.020 4.767 1.00 0.00 C ATOM 101 O PHE A 8 -6.181 -0.388 5.821 1.00 0.00 O ATOM 102 CB PHE A 8 -7.752 -2.962 4.377 1.00 0.00 C ATOM 103 CG PHE A 8 -7.846 -4.399 3.920 1.00 0.00 C ATOM 104 CD1 PHE A 8 -7.287 -4.757 2.683 1.00 0.00 C ATOM 105 CD2 PHE A 8 -8.427 -5.389 4.729 1.00 0.00 C ATOM 106 CE1 PHE A 8 -7.330 -6.093 2.252 1.00 0.00 C ATOM 107 CE2 PHE A 8 -8.420 -6.728 4.309 1.00 0.00 C ATOM 108 CZ PHE A 8 -7.906 -7.079 3.057 1.00 0.00 C ATOM 0 H PHE A 8 -6.761 -3.377 6.621 1.00 0.00 H new ATOM 0 HA PHE A 8 -5.614 -2.915 4.004 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -8.404 -2.816 5.238 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -8.118 -2.309 3.585 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -6.824 -4.004 2.062 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -8.878 -5.120 5.673 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -6.915 -6.360 1.291 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -8.815 -7.495 4.959 1.00 0.00 H new ATOM 0 HZ PHE A 8 -7.954 -8.102 2.715 1.00 0.00 H new ATOM 118 N GLY A 9 -6.217 -0.419 3.574 1.00 0.00 N ATOM 119 CA GLY A 9 -6.148 1.026 3.372 1.00 0.00 C ATOM 120 C GLY A 9 -7.472 1.589 2.863 1.00 0.00 C ATOM 121 O GLY A 9 -8.015 1.152 1.849 1.00 0.00 O ATOM 0 H GLY A 9 -6.280 -0.941 2.700 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -5.883 1.512 4.311 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -5.356 1.256 2.659 1.00 0.00 H new ATOM 125 N CYS A 10 -8.028 2.551 3.592 1.00 0.00 N ATOM 126 CA CYS A 10 -9.202 3.292 3.151 1.00 0.00 C ATOM 127 C CYS A 10 -8.871 4.263 2.041 1.00 0.00 C ATOM 128 O CYS A 10 -7.950 5.058 2.199 1.00 0.00 O ATOM 129 CB CYS A 10 -9.755 4.106 4.318 1.00 0.00 C ATOM 130 SG CYS A 10 -10.150 3.104 5.752 1.00 0.00 S ATOM 0 H CYS A 10 -7.676 2.838 4.505 1.00 0.00 H new ATOM 0 HA CYS A 10 -9.926 2.563 2.787 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -9.025 4.864 4.602 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -10.652 4.633 3.993 1.00 0.00 H new ATOM 135 N LEU A 11 -9.666 4.246 0.971 1.00 0.00 N ATOM 136 CA LEU A 11 -9.501 5.177 -0.143 1.00 0.00 C ATOM 137 C LEU A 11 -10.861 5.644 -0.679 1.00 0.00 C ATOM 138 O LEU A 11 -11.888 5.025 -0.386 1.00 0.00 O ATOM 139 CB LEU A 11 -8.612 4.517 -1.223 1.00 0.00 C ATOM 140 CG LEU A 11 -7.109 4.479 -0.868 1.00 0.00 C ATOM 141 CD1 LEU A 11 -6.325 3.785 -1.982 1.00 0.00 C ATOM 142 CD2 LEU A 11 -6.535 5.885 -0.654 1.00 0.00 C ATOM 0 H LEU A 11 -10.438 3.590 0.853 1.00 0.00 H new ATOM 0 HA LEU A 11 -8.996 6.081 0.196 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -8.960 3.498 -1.391 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -8.739 5.056 -2.162 1.00 0.00 H new ATOM 0 HG LEU A 11 -7.011 3.924 0.065 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -5.267 3.763 -1.723 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -6.690 2.765 -2.103 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -6.459 4.331 -2.916 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.476 5.812 -0.406 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -6.655 6.470 -1.566 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -7.066 6.374 0.163 1.00 0.00 H new ATOM 154 N PRO A 12 -10.921 6.753 -1.433 1.00 0.00 N ATOM 155 CA PRO A 12 -12.144 7.174 -2.106 1.00 0.00 C ATOM 156 C PRO A 12 -12.505 6.214 -3.243 1.00 0.00 C ATOM 157 O PRO A 12 -11.632 5.765 -3.968 1.00 0.00 O ATOM 158 CB PRO A 12 -11.872 8.614 -2.566 1.00 0.00 C ATOM 159 CG PRO A 12 -10.353 8.674 -2.716 1.00 0.00 C ATOM 160 CD PRO A 12 -9.836 7.696 -1.667 1.00 0.00 C ATOM 0 HA PRO A 12 -13.018 7.150 -1.456 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -12.375 8.834 -3.508 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -12.230 9.340 -1.836 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -10.040 8.385 -3.719 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -9.975 9.681 -2.542 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -8.941 7.183 -2.019 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -9.565 8.216 -0.748 1.00 0.00 H new ATOM 168 N GLN A 13 -13.797 5.928 -3.455 1.00 0.00 N ATOM 169 CA GLN A 13 -14.285 5.090 -4.578 1.00 0.00 C ATOM 170 C GLN A 13 -13.835 5.550 -5.973 1.00 0.00 C ATOM 171 O GLN A 13 -13.938 4.784 -6.930 1.00 0.00 O ATOM 172 CB GLN A 13 -15.812 5.131 -4.627 1.00 0.00 C ATOM 173 CG GLN A 13 -16.482 4.418 -3.458 1.00 0.00 C ATOM 174 CD GLN A 13 -17.980 4.244 -3.648 1.00 0.00 C ATOM 175 OE1 GLN A 13 -18.465 4.034 -4.747 1.00 0.00 O ATOM 176 NE2 GLN A 13 -18.747 4.241 -2.582 1.00 0.00 N ATOM 0 H GLN A 13 -14.545 6.271 -2.852 1.00 0.00 H new ATOM 0 HA GLN A 13 -13.867 4.104 -4.375 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -16.138 6.171 -4.642 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -16.149 4.678 -5.559 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -16.022 3.439 -3.325 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -16.300 4.982 -2.543 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -18.343 4.416 -1.662 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -19.747 4.063 -2.674 1.00 0.00 H new ATOM 185 N SER A 14 -13.441 6.819 -6.086 1.00 0.00 N ATOM 186 CA SER A 14 -12.797 7.395 -7.262 1.00 0.00 C ATOM 187 C SER A 14 -11.365 6.875 -7.463 1.00 0.00 C ATOM 188 O SER A 14 -11.031 6.503 -8.579 1.00 0.00 O ATOM 189 CB SER A 14 -12.797 8.919 -7.147 1.00 0.00 C ATOM 190 OG SER A 14 -12.518 9.468 -8.412 1.00 0.00 O ATOM 0 H SER A 14 -13.567 7.496 -5.333 1.00 0.00 H new ATOM 0 HA SER A 14 -13.369 7.087 -8.137 1.00 0.00 H new ATOM 0 HB2 SER A 14 -13.764 9.271 -6.788 1.00 0.00 H new ATOM 0 HB3 SER A 14 -12.051 9.243 -6.422 1.00 0.00 H new ATOM 0 HG SER A 14 -12.517 10.446 -8.351 1.00 0.00 H new ATOM 196 N ASP A 15 -10.535 6.842 -6.413 1.00 0.00 N ATOM 197 CA ASP A 15 -9.160 6.306 -6.455 1.00 0.00 C ATOM 198 C ASP A 15 -9.165 4.764 -6.434 1.00 0.00 C ATOM 199 O ASP A 15 -8.426 4.102 -7.154 1.00 0.00 O ATOM 200 CB ASP A 15 -8.390 6.876 -5.248 1.00 0.00 C ATOM 201 CG ASP A 15 -6.872 6.689 -5.278 1.00 0.00 C ATOM 202 OD1 ASP A 15 -6.287 6.862 -6.368 1.00 0.00 O ATOM 203 OD2 ASP A 15 -6.329 6.493 -4.167 1.00 0.00 O ATOM 0 H ASP A 15 -10.800 7.192 -5.492 1.00 0.00 H new ATOM 0 HA ASP A 15 -8.671 6.606 -7.382 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -8.604 7.942 -5.175 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -8.777 6.410 -4.342 1.00 0.00 H new ATOM 208 N CYS A 16 -10.062 4.161 -5.644 1.00 0.00 N ATOM 209 CA CYS A 16 -10.150 2.711 -5.508 1.00 0.00 C ATOM 210 C CYS A 16 -11.050 2.080 -6.596 1.00 0.00 C ATOM 211 O CYS A 16 -12.280 2.246 -6.528 1.00 0.00 O ATOM 212 CB CYS A 16 -10.661 2.345 -4.115 1.00 0.00 C ATOM 213 SG CYS A 16 -10.465 0.583 -3.789 1.00 0.00 S ATOM 0 H CYS A 16 -10.745 4.669 -5.083 1.00 0.00 H new ATOM 0 HA CYS A 16 -9.147 2.305 -5.642 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -10.118 2.919 -3.364 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -11.712 2.619 -4.027 1.00 0.00 H new ATOM 218 N PRO A 17 -10.496 1.312 -7.561 1.00 0.00 N ATOM 219 CA PRO A 17 -11.276 0.704 -8.638 1.00 0.00 C ATOM 220 C PRO A 17 -12.318 -0.259 -8.065 1.00 0.00 C ATOM 221 O PRO A 17 -12.064 -0.917 -7.056 1.00 0.00 O ATOM 222 CB PRO A 17 -10.268 -0.056 -9.513 1.00 0.00 C ATOM 223 CG PRO A 17 -9.116 -0.367 -8.561 1.00 0.00 C ATOM 224 CD PRO A 17 -9.128 0.806 -7.578 1.00 0.00 C ATOM 0 HA PRO A 17 -11.816 1.456 -9.213 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -10.703 -0.967 -9.924 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -9.936 0.548 -10.357 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -9.265 -1.318 -8.050 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -8.166 -0.435 -9.091 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -8.821 0.483 -6.583 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -8.430 1.583 -7.891 1.00 0.00 H new ATOM 232 N GLN A 18 -13.453 -0.422 -8.757 1.00 0.00 N ATOM 233 CA GLN A 18 -14.525 -1.369 -8.388 1.00 0.00 C ATOM 234 C GLN A 18 -14.045 -2.804 -8.101 1.00 0.00 C ATOM 235 O GLN A 18 -14.697 -3.510 -7.348 1.00 0.00 O ATOM 236 CB GLN A 18 -15.648 -1.375 -9.436 1.00 0.00 C ATOM 237 CG GLN A 18 -15.228 -1.970 -10.792 1.00 0.00 C ATOM 238 CD GLN A 18 -16.435 -2.480 -11.563 1.00 0.00 C ATOM 239 OE1 GLN A 18 -16.779 -3.642 -11.534 1.00 0.00 O ATOM 240 NE2 GLN A 18 -17.153 -1.642 -12.273 1.00 0.00 N ATOM 0 H GLN A 18 -13.660 0.107 -9.604 1.00 0.00 H new ATOM 0 HA GLN A 18 -14.914 -0.995 -7.441 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -16.493 -1.943 -9.046 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -15.995 -0.353 -9.590 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -14.710 -1.212 -11.380 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -14.523 -2.786 -10.632 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -16.891 -0.657 -12.318 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -17.973 -1.975 -12.779 1.00 0.00 H new ATOM 249 N GLU A 19 -12.891 -3.186 -8.651 1.00 0.00 N ATOM 250 CA GLU A 19 -12.212 -4.464 -8.446 1.00 0.00 C ATOM 251 C GLU A 19 -11.584 -4.559 -7.047 1.00 0.00 C ATOM 252 O GLU A 19 -11.639 -5.594 -6.381 1.00 0.00 O ATOM 253 CB GLU A 19 -11.114 -4.555 -9.526 1.00 0.00 C ATOM 254 CG GLU A 19 -10.248 -5.823 -9.445 1.00 0.00 C ATOM 255 CD GLU A 19 -10.921 -7.067 -10.032 1.00 0.00 C ATOM 256 OE1 GLU A 19 -12.156 -7.034 -10.216 1.00 0.00 O ATOM 257 OE2 GLU A 19 -10.183 -8.057 -10.219 1.00 0.00 O ATOM 0 H GLU A 19 -12.377 -2.576 -9.287 1.00 0.00 H new ATOM 0 HA GLU A 19 -12.926 -5.284 -8.522 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -11.583 -4.512 -10.509 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -10.467 -3.682 -9.444 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -9.310 -5.646 -9.971 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -9.997 -6.015 -8.402 1.00 0.00 H new ATOM 264 N ALA A 20 -10.948 -3.478 -6.586 1.00 0.00 N ATOM 265 CA ALA A 20 -10.356 -3.403 -5.257 1.00 0.00 C ATOM 266 C ALA A 20 -11.362 -3.011 -4.175 1.00 0.00 C ATOM 267 O ALA A 20 -11.074 -3.280 -3.015 1.00 0.00 O ATOM 268 CB ALA A 20 -9.195 -2.409 -5.242 1.00 0.00 C ATOM 0 H ALA A 20 -10.831 -2.625 -7.134 1.00 0.00 H new ATOM 0 HA ALA A 20 -9.998 -4.407 -5.029 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -8.765 -2.366 -4.241 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -8.432 -2.730 -5.951 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -9.559 -1.421 -5.523 1.00 0.00 H new ATOM 274 N ARG A 21 -12.503 -2.386 -4.506 1.00 0.00 N ATOM 275 CA ARG A 21 -13.560 -2.019 -3.542 1.00 0.00 C ATOM 276 C ARG A 21 -13.990 -3.212 -2.690 1.00 0.00 C ATOM 277 O ARG A 21 -14.680 -4.107 -3.168 1.00 0.00 O ATOM 278 CB ARG A 21 -14.788 -1.452 -4.258 1.00 0.00 C ATOM 279 CG ARG A 21 -14.522 -0.098 -4.916 1.00 0.00 C ATOM 280 CD ARG A 21 -15.840 0.516 -5.366 1.00 0.00 C ATOM 281 NE ARG A 21 -15.601 1.692 -6.220 1.00 0.00 N ATOM 282 CZ ARG A 21 -16.495 2.254 -7.011 1.00 0.00 C ATOM 283 NH1 ARG A 21 -17.711 1.794 -7.093 1.00 0.00 N ATOM 284 NH2 ARG A 21 -16.179 3.288 -7.730 1.00 0.00 N ATOM 0 H ARG A 21 -12.723 -2.116 -5.465 1.00 0.00 H new ATOM 0 HA ARG A 21 -13.134 -1.256 -2.890 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -15.118 -2.160 -5.018 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -15.604 -1.348 -3.542 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -14.020 0.567 -4.213 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -13.856 -0.221 -5.770 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -16.424 -0.224 -5.913 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -16.428 0.806 -4.495 1.00 0.00 H new ATOM 0 HE ARG A 21 -14.669 2.105 -6.198 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -17.988 0.984 -6.539 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -18.386 2.244 -7.711 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -15.235 3.671 -7.685 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -16.875 3.717 -8.339 1.00 0.00 H new ATOM 298 N LEU A 22 -13.582 -3.218 -1.424 1.00 0.00 N ATOM 299 CA LEU A 22 -13.906 -4.295 -0.503 1.00 0.00 C ATOM 300 C LEU A 22 -15.226 -4.014 0.244 1.00 0.00 C ATOM 301 O LEU A 22 -15.752 -2.900 0.237 1.00 0.00 O ATOM 302 CB LEU A 22 -12.740 -4.489 0.480 1.00 0.00 C ATOM 303 CG LEU A 22 -11.316 -4.588 -0.086 1.00 0.00 C ATOM 304 CD1 LEU A 22 -10.297 -4.433 1.044 1.00 0.00 C ATOM 305 CD2 LEU A 22 -11.153 -5.903 -0.870 1.00 0.00 C ATOM 0 H LEU A 22 -13.018 -2.475 -1.011 1.00 0.00 H new ATOM 0 HA LEU A 22 -14.051 -5.215 -1.069 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -12.760 -3.659 1.186 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -12.934 -5.397 1.050 1.00 0.00 H new ATOM 0 HG LEU A 22 -11.133 -3.777 -0.791 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -9.288 -4.504 0.637 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -10.428 -3.462 1.521 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -10.447 -5.222 1.780 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -10.140 -5.966 -1.268 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -11.335 -6.748 -0.205 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -11.868 -5.928 -1.692 1.00 0.00 H new ATOM 317 N SER A 23 -15.697 -5.003 1.002 1.00 0.00 N ATOM 318 CA SER A 23 -16.926 -4.950 1.816 1.00 0.00 C ATOM 319 C SER A 23 -16.673 -5.261 3.291 1.00 0.00 C ATOM 320 O SER A 23 -17.553 -5.706 4.015 1.00 0.00 O ATOM 321 CB SER A 23 -17.990 -5.869 1.216 1.00 0.00 C ATOM 322 OG SER A 23 -18.441 -5.279 0.019 1.00 0.00 O ATOM 0 H SER A 23 -15.219 -5.901 1.074 1.00 0.00 H new ATOM 0 HA SER A 23 -17.295 -3.925 1.791 1.00 0.00 H new ATOM 0 HB2 SER A 23 -17.575 -6.858 1.022 1.00 0.00 H new ATOM 0 HB3 SER A 23 -18.818 -6.001 1.913 1.00 0.00 H new ATOM 0 HG SER A 23 -19.125 -5.850 -0.390 1.00 0.00 H new ATOM 328 N TYR A 24 -15.456 -4.981 3.756 1.00 0.00 N ATOM 329 CA TYR A 24 -15.058 -5.193 5.147 1.00 0.00 C ATOM 330 C TYR A 24 -15.722 -4.171 6.085 1.00 0.00 C ATOM 331 O TYR A 24 -15.697 -4.355 7.283 1.00 0.00 O ATOM 332 CB TYR A 24 -13.533 -5.111 5.254 1.00 0.00 C ATOM 333 CG TYR A 24 -12.771 -6.294 4.728 1.00 0.00 C ATOM 334 CD1 TYR A 24 -12.865 -6.605 3.366 1.00 0.00 C ATOM 335 CD2 TYR A 24 -11.925 -7.036 5.564 1.00 0.00 C ATOM 336 CE1 TYR A 24 -12.115 -7.642 2.803 1.00 0.00 C ATOM 337 CE2 TYR A 24 -11.212 -8.114 5.012 1.00 0.00 C ATOM 338 CZ TYR A 24 -11.271 -8.397 3.634 1.00 0.00 C ATOM 339 OH TYR A 24 -10.476 -9.358 3.105 1.00 0.00 O ATOM 0 H TYR A 24 -14.712 -4.597 3.173 1.00 0.00 H new ATOM 0 HA TYR A 24 -15.393 -6.182 5.458 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -13.199 -4.222 4.720 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -13.269 -4.971 6.302 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -13.531 -6.032 2.737 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -11.823 -6.785 6.609 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -12.183 -7.859 1.747 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -10.608 -8.736 5.656 1.00 0.00 H new ATOM 0 HH TYR A 24 -9.551 -9.036 3.072 1.00 0.00 H new ATOM 349 N GLY A 25 -16.281 -3.067 5.579 1.00 0.00 N ATOM 350 CA GLY A 25 -17.017 -2.076 6.374 1.00 0.00 C ATOM 351 C GLY A 25 -16.156 -1.450 7.465 1.00 0.00 C ATOM 352 O GLY A 25 -16.174 -1.814 8.640 1.00 0.00 O ATOM 0 H GLY A 25 -16.234 -2.832 4.588 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -17.391 -1.292 5.716 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -17.886 -2.552 6.829 1.00 0.00 H new ATOM 356 N GLY A 26 -15.344 -0.478 7.074 1.00 0.00 N ATOM 357 CA GLY A 26 -14.424 0.144 8.017 1.00 0.00 C ATOM 358 C GLY A 26 -13.587 1.261 7.445 1.00 0.00 C ATOM 359 O GLY A 26 -12.485 1.478 7.928 1.00 0.00 O ATOM 0 H GLY A 26 -15.302 -0.107 6.125 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -14.997 0.533 8.858 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -13.758 -0.623 8.413 1.00 0.00 H new ATOM 363 N CYS A 27 -14.110 1.942 6.432 1.00 0.00 N ATOM 364 CA CYS A 27 -13.477 3.105 5.835 1.00 0.00 C ATOM 365 C CYS A 27 -14.476 4.229 5.645 1.00 0.00 C ATOM 366 O CYS A 27 -15.673 3.978 5.568 1.00 0.00 O ATOM 367 CB CYS A 27 -12.854 2.681 4.512 1.00 0.00 C ATOM 368 SG CYS A 27 -11.326 1.764 4.820 1.00 0.00 S ATOM 0 H CYS A 27 -14.999 1.695 5.998 1.00 0.00 H new ATOM 0 HA CYS A 27 -12.700 3.488 6.496 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -13.554 2.061 3.952 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -12.645 3.559 3.900 1.00 0.00 H new ATOM 373 N SER A 28 -13.957 5.450 5.510 1.00 0.00 N ATOM 374 CA SER A 28 -14.753 6.668 5.332 1.00 0.00 C ATOM 375 C SER A 28 -15.759 6.559 4.190 1.00 0.00 C ATOM 376 O SER A 28 -16.925 6.883 4.358 1.00 0.00 O ATOM 377 CB SER A 28 -13.806 7.839 5.074 1.00 0.00 C ATOM 378 OG SER A 28 -13.067 8.056 6.250 1.00 0.00 O ATOM 0 H SER A 28 -12.952 5.625 5.521 1.00 0.00 H new ATOM 0 HA SER A 28 -15.330 6.824 6.244 1.00 0.00 H new ATOM 0 HB2 SER A 28 -13.141 7.617 4.240 1.00 0.00 H new ATOM 0 HB3 SER A 28 -14.368 8.733 4.804 1.00 0.00 H new ATOM 0 HG SER A 28 -12.447 8.803 6.114 1.00 0.00 H new ATOM 384 N THR A 29 -15.290 6.098 3.032 1.00 0.00 N ATOM 385 CA THR A 29 -16.073 5.946 1.798 1.00 0.00 C ATOM 386 C THR A 29 -16.032 4.503 1.313 1.00 0.00 C ATOM 387 O THR A 29 -17.063 3.852 1.192 1.00 0.00 O ATOM 388 CB THR A 29 -15.609 6.946 0.715 1.00 0.00 C ATOM 389 OG1 THR A 29 -15.712 6.416 -0.591 1.00 0.00 O ATOM 390 CG2 THR A 29 -14.153 7.395 0.824 1.00 0.00 C ATOM 0 H THR A 29 -14.319 5.808 2.919 1.00 0.00 H new ATOM 0 HA THR A 29 -17.114 6.184 2.015 1.00 0.00 H new ATOM 0 HB THR A 29 -16.279 7.787 0.891 1.00 0.00 H new ATOM 0 HG1 THR A 29 -15.409 7.085 -1.240 1.00 0.00 H new ATOM 0 HG21 THR A 29 -13.927 8.095 0.019 1.00 0.00 H new ATOM 0 HG22 THR A 29 -13.994 7.884 1.785 1.00 0.00 H new ATOM 0 HG23 THR A 29 -13.498 6.527 0.745 1.00 0.00 H new ATOM 398 N VAL A 30 -14.834 4.005 0.994 1.00 0.00 N ATOM 399 CA VAL A 30 -14.626 2.612 0.589 1.00 0.00 C ATOM 400 C VAL A 30 -13.283 2.073 1.111 1.00 0.00 C ATOM 401 O VAL A 30 -12.347 2.828 1.395 1.00 0.00 O ATOM 402 CB VAL A 30 -14.831 2.477 -0.932 1.00 0.00 C ATOM 403 CG1 VAL A 30 -13.705 3.074 -1.768 1.00 0.00 C ATOM 404 CG2 VAL A 30 -15.125 1.062 -1.424 1.00 0.00 C ATOM 0 H VAL A 30 -13.978 4.559 1.009 1.00 0.00 H new ATOM 0 HA VAL A 30 -15.375 1.970 1.054 1.00 0.00 H new ATOM 0 HB VAL A 30 -15.732 3.071 -1.086 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -13.926 2.938 -2.827 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -13.615 4.138 -1.550 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -12.767 2.574 -1.526 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -15.253 1.072 -2.506 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -14.294 0.406 -1.163 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -16.038 0.696 -0.954 1.00 0.00 H new ATOM 414 N CYS A 31 -13.202 0.759 1.306 1.00 0.00 N ATOM 415 CA CYS A 31 -11.957 0.060 1.623 1.00 0.00 C ATOM 416 C CYS A 31 -11.287 -0.392 0.316 1.00 0.00 C ATOM 417 O CYS A 31 -11.971 -0.923 -0.561 1.00 0.00 O ATOM 418 CB CYS A 31 -12.274 -1.139 2.535 1.00 0.00 C ATOM 419 SG CYS A 31 -13.061 -0.715 4.123 1.00 0.00 S ATOM 0 H CYS A 31 -14.011 0.140 1.248 1.00 0.00 H new ATOM 0 HA CYS A 31 -11.268 0.720 2.150 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -12.928 -1.824 1.995 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -11.348 -1.676 2.738 1.00 0.00 H new ATOM 424 N CYS A 32 -9.969 -0.217 0.199 1.00 0.00 N ATOM 425 CA CYS A 32 -9.159 -0.682 -0.923 1.00 0.00 C ATOM 426 C CYS A 32 -8.160 -1.765 -0.495 1.00 0.00 C ATOM 427 O CYS A 32 -7.523 -1.697 0.564 1.00 0.00 O ATOM 428 CB CYS A 32 -8.452 0.513 -1.567 1.00 0.00 C ATOM 429 SG CYS A 32 -8.479 0.456 -3.371 1.00 0.00 S ATOM 0 H CYS A 32 -9.420 0.269 0.908 1.00 0.00 H new ATOM 0 HA CYS A 32 -9.815 -1.145 -1.660 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -8.927 1.434 -1.230 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -7.418 0.544 -1.225 1.00 0.00 H new ATOM 434 N ASP A 33 -8.049 -2.790 -1.330 1.00 0.00 N ATOM 435 CA ASP A 33 -7.159 -3.916 -1.088 1.00 0.00 C ATOM 436 C ASP A 33 -5.722 -3.608 -1.498 1.00 0.00 C ATOM 437 O ASP A 33 -5.368 -3.665 -2.676 1.00 0.00 O ATOM 438 CB ASP A 33 -7.667 -5.164 -1.796 1.00 0.00 C ATOM 439 CG ASP A 33 -7.007 -6.402 -1.198 1.00 0.00 C ATOM 440 OD1 ASP A 33 -5.796 -6.319 -0.879 1.00 0.00 O ATOM 441 OD2 ASP A 33 -7.721 -7.416 -1.062 1.00 0.00 O ATOM 0 H ASP A 33 -8.578 -2.863 -2.199 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.155 -4.102 -0.014 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -8.750 -5.234 -1.697 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -7.448 -5.103 -2.862 1.00 0.00 H new ATOM 446 N LEU A 34 -4.874 -3.302 -0.522 1.00 0.00 N ATOM 447 CA LEU A 34 -3.480 -2.973 -0.783 1.00 0.00 C ATOM 448 C LEU A 34 -2.721 -4.149 -1.410 1.00 0.00 C ATOM 449 O LEU A 34 -1.868 -3.904 -2.251 1.00 0.00 O ATOM 450 CB LEU A 34 -2.769 -2.549 0.502 1.00 0.00 C ATOM 451 CG LEU A 34 -3.490 -1.515 1.383 1.00 0.00 C ATOM 452 CD1 LEU A 34 -3.009 -1.696 2.818 1.00 0.00 C ATOM 453 CD2 LEU A 34 -3.223 -0.089 0.900 1.00 0.00 C ATOM 0 H LEU A 34 -5.132 -3.275 0.464 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.483 -2.144 -1.491 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.590 -3.441 1.102 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.793 -2.145 0.233 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.567 -1.674 1.324 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.507 -0.972 3.463 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.244 -2.705 3.156 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.931 -1.540 2.863 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -3.747 0.617 1.544 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.152 0.113 0.935 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.579 0.021 -0.124 1.00 0.00 H new ATOM 465 N SER A 35 -3.036 -5.393 -1.017 1.00 0.00 N ATOM 466 CA SER A 35 -2.457 -6.633 -1.558 1.00 0.00 C ATOM 467 C SER A 35 -2.755 -6.787 -3.050 1.00 0.00 C ATOM 468 O SER A 35 -1.898 -7.235 -3.812 1.00 0.00 O ATOM 469 CB SER A 35 -3.030 -7.845 -0.802 1.00 0.00 C ATOM 470 OG SER A 35 -2.324 -9.029 -1.112 1.00 0.00 O ATOM 0 H SER A 35 -3.726 -5.570 -0.287 1.00 0.00 H new ATOM 0 HA SER A 35 -1.376 -6.582 -1.427 1.00 0.00 H new ATOM 0 HB2 SER A 35 -2.982 -7.662 0.271 1.00 0.00 H new ATOM 0 HB3 SER A 35 -4.082 -7.970 -1.057 1.00 0.00 H new ATOM 0 HG SER A 35 -2.711 -9.780 -0.615 1.00 0.00 H new ATOM 476 N LYS A 36 -3.971 -6.414 -3.484 1.00 0.00 N ATOM 477 CA LYS A 36 -4.351 -6.457 -4.903 1.00 0.00 C ATOM 478 C LYS A 36 -3.830 -5.265 -5.690 1.00 0.00 C ATOM 479 O LYS A 36 -3.474 -5.429 -6.851 1.00 0.00 O ATOM 480 CB LYS A 36 -5.869 -6.534 -5.082 1.00 0.00 C ATOM 481 CG LYS A 36 -6.451 -7.772 -4.388 1.00 0.00 C ATOM 482 CD LYS A 36 -7.835 -8.146 -4.922 1.00 0.00 C ATOM 483 CE LYS A 36 -8.917 -7.143 -4.512 1.00 0.00 C ATOM 484 NZ LYS A 36 -10.224 -7.506 -5.114 1.00 0.00 N ATOM 0 H LYS A 36 -4.710 -6.078 -2.867 1.00 0.00 H new ATOM 0 HA LYS A 36 -3.888 -7.362 -5.296 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -6.331 -5.635 -4.674 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -6.111 -6.563 -6.144 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -5.772 -8.614 -4.525 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -6.517 -7.587 -3.316 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -7.796 -8.208 -6.010 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -8.106 -9.136 -4.556 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -9.005 -7.119 -3.426 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.630 -6.141 -4.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -10.784 -6.644 -5.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -10.066 -7.990 -6.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -10.740 -8.138 -4.469 1.00 0.00 H new ATOM 498 N LEU A 37 -3.807 -4.080 -5.074 1.00 0.00 N ATOM 499 CA LEU A 37 -3.306 -2.851 -5.675 1.00 0.00 C ATOM 500 C LEU A 37 -1.824 -3.005 -6.019 1.00 0.00 C ATOM 501 O LEU A 37 -1.445 -2.858 -7.178 1.00 0.00 O ATOM 502 CB LEU A 37 -3.533 -1.661 -4.721 1.00 0.00 C ATOM 503 CG LEU A 37 -4.980 -1.136 -4.631 1.00 0.00 C ATOM 504 CD1 LEU A 37 -5.079 -0.114 -3.489 1.00 0.00 C ATOM 505 CD2 LEU A 37 -5.437 -0.494 -5.938 1.00 0.00 C ATOM 0 H LEU A 37 -4.145 -3.950 -4.121 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.853 -2.654 -6.597 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.211 -1.955 -3.722 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.888 -0.840 -5.035 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.635 -1.986 -4.436 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -6.101 0.259 -3.422 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.805 -0.592 -2.548 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.401 0.717 -3.685 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.462 -0.138 -5.830 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.785 0.346 -6.179 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.391 -1.230 -6.740 1.00 0.00 H new ATOM 517 N THR A 38 -0.978 -3.263 -5.015 1.00 0.00 N ATOM 518 CA THR A 38 0.476 -3.340 -5.199 1.00 0.00 C ATOM 519 C THR A 38 1.137 -4.321 -4.231 1.00 0.00 C ATOM 520 O THR A 38 0.636 -4.609 -3.150 1.00 0.00 O ATOM 521 CB THR A 38 1.146 -1.962 -5.016 1.00 0.00 C ATOM 522 OG1 THR A 38 1.083 -1.533 -3.672 1.00 0.00 O ATOM 523 CG2 THR A 38 0.596 -0.856 -5.917 1.00 0.00 C ATOM 0 H THR A 38 -1.281 -3.424 -4.054 1.00 0.00 H new ATOM 0 HA THR A 38 0.620 -3.693 -6.220 1.00 0.00 H new ATOM 0 HB THR A 38 2.181 -2.128 -5.317 1.00 0.00 H new ATOM 0 HG1 THR A 38 1.628 -0.726 -3.560 1.00 0.00 H new ATOM 0 HG21 THR A 38 1.128 0.074 -5.717 1.00 0.00 H new ATOM 0 HG22 THR A 38 0.734 -1.135 -6.962 1.00 0.00 H new ATOM 0 HG23 THR A 38 -0.466 -0.717 -5.716 1.00 0.00 H new ATOM 531 N GLY A 39 2.379 -4.708 -4.512 1.00 0.00 N ATOM 532 CA GLY A 39 3.114 -5.605 -3.616 1.00 0.00 C ATOM 533 C GLY A 39 3.740 -4.898 -2.413 1.00 0.00 C ATOM 534 O GLY A 39 3.919 -5.536 -1.386 1.00 0.00 O ATOM 0 H GLY A 39 2.895 -4.420 -5.343 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.437 -6.381 -3.258 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.900 -6.104 -4.182 1.00 0.00 H new ATOM 538 N CYS A 40 4.009 -3.587 -2.480 1.00 0.00 N ATOM 539 CA CYS A 40 4.681 -2.824 -1.411 1.00 0.00 C ATOM 540 C CYS A 40 4.091 -3.088 -0.023 1.00 0.00 C ATOM 541 O CYS A 40 4.780 -3.532 0.890 1.00 0.00 O ATOM 542 CB CYS A 40 4.631 -1.339 -1.762 1.00 0.00 C ATOM 543 SG CYS A 40 5.388 -0.224 -0.555 1.00 0.00 S ATOM 0 H CYS A 40 3.764 -3.016 -3.288 1.00 0.00 H new ATOM 0 HA CYS A 40 5.717 -3.160 -1.354 1.00 0.00 H new ATOM 0 HB2 CYS A 40 5.125 -1.194 -2.723 1.00 0.00 H new ATOM 0 HB3 CYS A 40 3.588 -1.050 -1.893 1.00 0.00 H new ATOM 548 N LYS A 41 2.782 -2.879 0.109 1.00 0.00 N ATOM 549 CA LYS A 41 2.033 -3.174 1.333 1.00 0.00 C ATOM 550 C LYS A 41 1.861 -4.668 1.590 1.00 0.00 C ATOM 551 O LYS A 41 1.995 -5.088 2.730 1.00 0.00 O ATOM 552 CB LYS A 41 0.661 -2.522 1.242 1.00 0.00 C ATOM 553 CG LYS A 41 0.735 -0.988 1.182 1.00 0.00 C ATOM 554 CD LYS A 41 1.067 -0.390 2.557 1.00 0.00 C ATOM 555 CE LYS A 41 1.438 1.091 2.453 1.00 0.00 C ATOM 556 NZ LYS A 41 0.249 1.974 2.524 1.00 0.00 N ATOM 0 H LYS A 41 2.204 -2.496 -0.639 1.00 0.00 H new ATOM 0 HA LYS A 41 2.610 -2.773 2.167 1.00 0.00 H new ATOM 0 HB2 LYS A 41 0.146 -2.892 0.355 1.00 0.00 H new ATOM 0 HB3 LYS A 41 0.064 -2.819 2.104 1.00 0.00 H new ATOM 0 HG2 LYS A 41 1.493 -0.687 0.459 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -0.217 -0.590 0.830 1.00 0.00 H new ATOM 0 HD2 LYS A 41 0.210 -0.505 3.221 1.00 0.00 H new ATOM 0 HD3 LYS A 41 1.893 -0.942 3.004 1.00 0.00 H new ATOM 0 HE2 LYS A 41 2.128 1.348 3.257 1.00 0.00 H new ATOM 0 HE3 LYS A 41 1.963 1.267 1.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 0.549 2.967 2.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -0.398 1.748 1.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -0.239 1.827 3.431 1.00 0.00 H new ATOM 570 N GLY A 42 1.598 -5.457 0.544 1.00 0.00 N ATOM 571 CA GLY A 42 1.471 -6.915 0.643 1.00 0.00 C ATOM 572 C GLY A 42 2.688 -7.590 1.294 1.00 0.00 C ATOM 573 O GLY A 42 2.526 -8.506 2.090 1.00 0.00 O ATOM 0 H GLY A 42 1.466 -5.100 -0.402 1.00 0.00 H new ATOM 0 HA2 GLY A 42 0.579 -7.156 1.221 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.326 -7.328 -0.355 1.00 0.00 H new ATOM 577 N LYS A 43 3.902 -7.107 0.999 1.00 0.00 N ATOM 578 CA LYS A 43 5.177 -7.536 1.608 1.00 0.00 C ATOM 579 C LYS A 43 5.455 -6.912 2.986 1.00 0.00 C ATOM 580 O LYS A 43 6.583 -6.989 3.460 1.00 0.00 O ATOM 581 CB LYS A 43 6.347 -7.281 0.638 1.00 0.00 C ATOM 582 CG LYS A 43 6.151 -7.976 -0.719 1.00 0.00 C ATOM 583 CD LYS A 43 7.472 -8.014 -1.491 1.00 0.00 C ATOM 584 CE LYS A 43 7.243 -8.201 -2.994 1.00 0.00 C ATOM 585 NZ LYS A 43 6.777 -9.565 -3.331 1.00 0.00 N ATOM 0 H LYS A 43 4.033 -6.375 0.300 1.00 0.00 H new ATOM 0 HA LYS A 43 5.082 -8.607 1.789 1.00 0.00 H new ATOM 0 HB2 LYS A 43 6.456 -6.208 0.480 1.00 0.00 H new ATOM 0 HB3 LYS A 43 7.274 -7.632 1.092 1.00 0.00 H new ATOM 0 HG2 LYS A 43 5.782 -8.990 -0.566 1.00 0.00 H new ATOM 0 HG3 LYS A 43 5.397 -7.447 -1.301 1.00 0.00 H new ATOM 0 HD2 LYS A 43 8.021 -7.088 -1.319 1.00 0.00 H new ATOM 0 HD3 LYS A 43 8.091 -8.827 -1.113 1.00 0.00 H new ATOM 0 HE2 LYS A 43 6.508 -7.474 -3.340 1.00 0.00 H new ATOM 0 HE3 LYS A 43 8.171 -7.995 -3.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 6.637 -9.640 -4.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 7.488 -10.260 -3.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 5.878 -9.755 -2.844 1.00 0.00 H new ATOM 599 N GLY A 44 4.468 -6.264 3.607 1.00 0.00 N ATOM 600 CA GLY A 44 4.615 -5.540 4.874 1.00 0.00 C ATOM 601 C GLY A 44 5.632 -4.395 4.803 1.00 0.00 C ATOM 602 O GLY A 44 6.290 -4.092 5.796 1.00 0.00 O ATOM 0 H GLY A 44 3.519 -6.226 3.234 1.00 0.00 H new ATOM 0 HA2 GLY A 44 3.646 -5.138 5.170 1.00 0.00 H new ATOM 0 HA3 GLY A 44 4.920 -6.240 5.651 1.00 0.00 H new ATOM 606 N GLY A 45 5.777 -3.775 3.628 1.00 0.00 N ATOM 607 CA GLY A 45 6.670 -2.641 3.421 1.00 0.00 C ATOM 608 C GLY A 45 6.037 -1.313 3.822 1.00 0.00 C ATOM 609 O GLY A 45 4.814 -1.177 3.900 1.00 0.00 O ATOM 0 H GLY A 45 5.270 -4.053 2.787 1.00 0.00 H new ATOM 0 HA2 GLY A 45 7.583 -2.793 3.997 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.959 -2.599 2.371 1.00 0.00 H new ATOM 613 N GLU A 46 6.894 -0.305 3.979 1.00 0.00 N ATOM 614 CA GLU A 46 6.540 1.053 4.381 1.00 0.00 C ATOM 615 C GLU A 46 7.074 2.086 3.374 1.00 0.00 C ATOM 616 O GLU A 46 8.162 1.961 2.797 1.00 0.00 O ATOM 617 CB GLU A 46 7.043 1.307 5.817 1.00 0.00 C ATOM 618 CG GLU A 46 6.736 2.726 6.327 1.00 0.00 C ATOM 619 CD GLU A 46 5.257 3.113 6.114 1.00 0.00 C ATOM 620 OE1 GLU A 46 4.371 2.274 6.376 1.00 0.00 O ATOM 621 OE2 GLU A 46 5.013 4.183 5.516 1.00 0.00 O ATOM 0 H GLU A 46 7.896 -0.419 3.823 1.00 0.00 H new ATOM 0 HA GLU A 46 5.456 1.164 4.380 1.00 0.00 H new ATOM 0 HB2 GLU A 46 6.586 0.580 6.489 1.00 0.00 H new ATOM 0 HB3 GLU A 46 8.120 1.141 5.852 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.978 2.789 7.388 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.375 3.442 5.811 1.00 0.00 H new ATOM 628 N CYS A 47 6.304 3.151 3.167 1.00 0.00 N ATOM 629 CA CYS A 47 6.692 4.254 2.310 1.00 0.00 C ATOM 630 C CYS A 47 7.843 5.040 2.943 1.00 0.00 C ATOM 631 O CYS A 47 7.783 5.433 4.104 1.00 0.00 O ATOM 632 CB CYS A 47 5.475 5.151 2.082 1.00 0.00 C ATOM 633 SG CYS A 47 5.449 5.946 0.459 1.00 0.00 S ATOM 0 H CYS A 47 5.386 3.268 3.596 1.00 0.00 H new ATOM 0 HA CYS A 47 7.042 3.873 1.350 1.00 0.00 H new ATOM 0 HB2 CYS A 47 4.569 4.556 2.199 1.00 0.00 H new ATOM 0 HB3 CYS A 47 5.453 5.921 2.854 1.00 0.00 H new ATOM 638 N ASN A 48 8.912 5.269 2.188 1.00 0.00 N ATOM 639 CA ASN A 48 10.055 6.051 2.646 1.00 0.00 C ATOM 640 C ASN A 48 10.457 7.124 1.619 1.00 0.00 C ATOM 641 O ASN A 48 10.364 6.894 0.407 1.00 0.00 O ATOM 642 CB ASN A 48 11.214 5.105 3.000 1.00 0.00 C ATOM 643 CG ASN A 48 11.045 4.529 4.394 1.00 0.00 C ATOM 644 OD1 ASN A 48 11.602 5.025 5.364 1.00 0.00 O ATOM 645 ND2 ASN A 48 10.254 3.498 4.557 1.00 0.00 N ATOM 0 H ASN A 48 9.011 4.916 1.236 1.00 0.00 H new ATOM 0 HA ASN A 48 9.777 6.596 3.548 1.00 0.00 H new ATOM 0 HB2 ASN A 48 11.261 4.295 2.272 1.00 0.00 H new ATOM 0 HB3 ASN A 48 12.159 5.644 2.938 1.00 0.00 H new ATOM 0 HD21 ASN A 48 10.105 3.112 5.489 1.00 0.00 H new ATOM 0 HD22 ASN A 48 9.787 3.081 3.752 1.00 0.00 H new ATOM 652 N PRO A 49 10.952 8.281 2.099 1.00 0.00 N ATOM 653 CA PRO A 49 11.384 9.365 1.228 1.00 0.00 C ATOM 654 C PRO A 49 12.608 8.940 0.413 1.00 0.00 C ATOM 655 O PRO A 49 13.362 8.054 0.815 1.00 0.00 O ATOM 656 CB PRO A 49 11.684 10.549 2.158 1.00 0.00 C ATOM 657 CG PRO A 49 12.012 9.898 3.500 1.00 0.00 C ATOM 658 CD PRO A 49 11.181 8.614 3.498 1.00 0.00 C ATOM 0 HA PRO A 49 10.623 9.638 0.497 1.00 0.00 H new ATOM 0 HB2 PRO A 49 12.520 11.143 1.789 1.00 0.00 H new ATOM 0 HB3 PRO A 49 10.828 11.219 2.239 1.00 0.00 H new ATOM 0 HG2 PRO A 49 13.077 9.685 3.591 1.00 0.00 H new ATOM 0 HG3 PRO A 49 11.744 10.546 4.335 1.00 0.00 H new ATOM 0 HD2 PRO A 49 11.708 7.808 4.009 1.00 0.00 H new ATOM 0 HD3 PRO A 49 10.237 8.760 4.023 1.00 0.00 H new ATOM 666 N LEU A 50 12.844 9.606 -0.716 1.00 0.00 N ATOM 667 CA LEU A 50 14.033 9.369 -1.548 1.00 0.00 C ATOM 668 C LEU A 50 15.362 9.674 -0.835 1.00 0.00 C ATOM 669 O LEU A 50 16.387 9.118 -1.209 1.00 0.00 O ATOM 670 CB LEU A 50 13.951 10.188 -2.845 1.00 0.00 C ATOM 671 CG LEU A 50 12.621 10.096 -3.606 1.00 0.00 C ATOM 672 CD1 LEU A 50 12.772 10.744 -4.977 1.00 0.00 C ATOM 673 CD2 LEU A 50 12.165 8.653 -3.801 1.00 0.00 C ATOM 0 H LEU A 50 12.220 10.325 -1.083 1.00 0.00 H new ATOM 0 HA LEU A 50 14.031 8.302 -1.769 1.00 0.00 H new ATOM 0 HB2 LEU A 50 14.140 11.234 -2.605 1.00 0.00 H new ATOM 0 HB3 LEU A 50 14.752 9.864 -3.509 1.00 0.00 H new ATOM 0 HG LEU A 50 11.871 10.614 -3.008 1.00 0.00 H new ATOM 0 HD11 LEU A 50 11.827 10.678 -5.517 1.00 0.00 H new ATOM 0 HD12 LEU A 50 13.049 11.791 -4.856 1.00 0.00 H new ATOM 0 HD13 LEU A 50 13.548 10.227 -5.540 1.00 0.00 H new ATOM 0 HD21 LEU A 50 11.220 8.640 -4.344 1.00 0.00 H new ATOM 0 HD22 LEU A 50 12.918 8.107 -4.370 1.00 0.00 H new ATOM 0 HD23 LEU A 50 12.031 8.179 -2.829 1.00 0.00 H new ATOM 685 N ASP A 51 15.322 10.507 0.205 1.00 0.00 N ATOM 686 CA ASP A 51 16.451 10.834 1.082 1.00 0.00 C ATOM 687 C ASP A 51 16.751 9.732 2.117 1.00 0.00 C ATOM 688 O ASP A 51 17.795 9.739 2.771 1.00 0.00 O ATOM 689 CB ASP A 51 16.119 12.143 1.810 1.00 0.00 C ATOM 690 CG ASP A 51 16.106 13.325 0.843 1.00 0.00 C ATOM 691 OD1 ASP A 51 17.200 13.696 0.371 1.00 0.00 O ATOM 692 OD2 ASP A 51 14.984 13.814 0.579 1.00 0.00 O ATOM 0 H ASP A 51 14.467 10.994 0.472 1.00 0.00 H new ATOM 0 HA ASP A 51 17.344 10.930 0.464 1.00 0.00 H new ATOM 0 HB2 ASP A 51 15.147 12.056 2.295 1.00 0.00 H new ATOM 0 HB3 ASP A 51 16.853 12.321 2.596 1.00 0.00 H new ATOM 697 N ARG A 52 15.837 8.766 2.305 1.00 0.00 N ATOM 698 CA ARG A 52 16.047 7.616 3.187 1.00 0.00 C ATOM 699 C ARG A 52 16.735 6.488 2.420 1.00 0.00 C ATOM 700 O ARG A 52 16.308 6.110 1.333 1.00 0.00 O ATOM 701 CB ARG A 52 14.703 7.141 3.754 1.00 0.00 C ATOM 702 CG ARG A 52 14.857 6.029 4.800 1.00 0.00 C ATOM 703 CD ARG A 52 15.274 6.585 6.163 1.00 0.00 C ATOM 704 NE ARG A 52 14.116 7.103 6.918 1.00 0.00 N ATOM 705 CZ ARG A 52 14.068 7.316 8.219 1.00 0.00 C ATOM 706 NH1 ARG A 52 15.108 7.097 8.975 1.00 0.00 N ATOM 707 NH2 ARG A 52 12.981 7.747 8.793 1.00 0.00 N ATOM 0 H ARG A 52 14.927 8.765 1.844 1.00 0.00 H new ATOM 0 HA ARG A 52 16.689 7.912 4.016 1.00 0.00 H new ATOM 0 HB2 ARG A 52 14.185 7.988 4.204 1.00 0.00 H new ATOM 0 HB3 ARG A 52 14.077 6.781 2.938 1.00 0.00 H new ATOM 0 HG2 ARG A 52 13.914 5.491 4.900 1.00 0.00 H new ATOM 0 HG3 ARG A 52 15.600 5.309 4.458 1.00 0.00 H new ATOM 0 HD2 ARG A 52 15.765 5.802 6.741 1.00 0.00 H new ATOM 0 HD3 ARG A 52 16.004 7.383 6.023 1.00 0.00 H new ATOM 0 HE ARG A 52 13.274 7.316 6.383 1.00 0.00 H new ATOM 0 HH11 ARG A 52 15.976 6.756 8.562 1.00 0.00 H new ATOM 0 HH12 ARG A 52 15.053 7.267 9.979 1.00 0.00 H new ATOM 0 HH21 ARG A 52 12.146 7.926 8.235 1.00 0.00 H new ATOM 0 HH22 ARG A 52 12.965 7.905 9.801 1.00 0.00 H new ATOM 721 N GLN A 53 17.733 5.896 3.070 1.00 0.00 N ATOM 722 CA GLN A 53 18.474 4.732 2.595 1.00 0.00 C ATOM 723 C GLN A 53 17.959 3.462 3.270 1.00 0.00 C ATOM 724 O GLN A 53 17.924 3.384 4.501 1.00 0.00 O ATOM 725 CB GLN A 53 19.965 4.921 2.909 1.00 0.00 C ATOM 726 CG GLN A 53 20.572 6.176 2.262 1.00 0.00 C ATOM 727 CD GLN A 53 20.749 6.065 0.751 1.00 0.00 C ATOM 728 OE1 GLN A 53 20.097 5.317 0.047 1.00 0.00 O ATOM 729 NE2 GLN A 53 21.668 6.801 0.177 1.00 0.00 N ATOM 0 H GLN A 53 18.060 6.227 3.978 1.00 0.00 H new ATOM 0 HA GLN A 53 18.334 4.633 1.519 1.00 0.00 H new ATOM 0 HB2 GLN A 53 20.096 4.979 3.990 1.00 0.00 H new ATOM 0 HB3 GLN A 53 20.514 4.044 2.568 1.00 0.00 H new ATOM 0 HG2 GLN A 53 19.934 7.032 2.482 1.00 0.00 H new ATOM 0 HG3 GLN A 53 21.541 6.376 2.718 1.00 0.00 H new ATOM 0 HE21 GLN A 53 22.233 7.439 0.737 1.00 0.00 H new ATOM 0 HE22 GLN A 53 21.818 6.736 -0.830 1.00 0.00 H new ATOM 738 N CYS A 54 17.536 2.487 2.471 1.00 0.00 N ATOM 739 CA CYS A 54 17.031 1.192 2.916 1.00 0.00 C ATOM 740 C CYS A 54 16.980 0.218 1.730 1.00 0.00 C ATOM 741 O CYS A 54 17.358 0.573 0.626 1.00 0.00 O ATOM 742 CB CYS A 54 15.676 1.381 3.636 1.00 0.00 C ATOM 743 SG CYS A 54 14.629 2.787 3.136 1.00 0.00 S ATOM 0 H CYS A 54 17.536 2.581 1.455 1.00 0.00 H new ATOM 0 HA CYS A 54 17.704 0.744 3.647 1.00 0.00 H new ATOM 0 HB2 CYS A 54 15.096 0.468 3.501 1.00 0.00 H new ATOM 0 HB3 CYS A 54 15.876 1.476 4.703 1.00 0.00 H new ATOM 748 N LYS A 55 16.568 -1.033 1.957 1.00 0.00 N ATOM 749 CA LYS A 55 16.323 -2.010 0.892 1.00 0.00 C ATOM 750 C LYS A 55 14.951 -1.773 0.260 1.00 0.00 C ATOM 751 O LYS A 55 13.927 -2.033 0.897 1.00 0.00 O ATOM 752 CB LYS A 55 16.473 -3.426 1.469 1.00 0.00 C ATOM 753 CG LYS A 55 16.902 -4.425 0.386 1.00 0.00 C ATOM 754 CD LYS A 55 17.375 -5.745 1.020 1.00 0.00 C ATOM 755 CE LYS A 55 16.206 -6.677 1.360 1.00 0.00 C ATOM 756 NZ LYS A 55 15.595 -7.233 0.128 1.00 0.00 N ATOM 0 H LYS A 55 16.394 -1.399 2.893 1.00 0.00 H new ATOM 0 HA LYS A 55 17.056 -1.894 0.094 1.00 0.00 H new ATOM 0 HB2 LYS A 55 17.210 -3.418 2.272 1.00 0.00 H new ATOM 0 HB3 LYS A 55 15.527 -3.745 1.907 1.00 0.00 H new ATOM 0 HG2 LYS A 55 16.068 -4.618 -0.288 1.00 0.00 H new ATOM 0 HG3 LYS A 55 17.704 -3.996 -0.214 1.00 0.00 H new ATOM 0 HD2 LYS A 55 18.054 -6.252 0.335 1.00 0.00 H new ATOM 0 HD3 LYS A 55 17.940 -5.528 1.927 1.00 0.00 H new ATOM 0 HE2 LYS A 55 16.557 -7.490 1.995 1.00 0.00 H new ATOM 0 HE3 LYS A 55 15.454 -6.130 1.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 15.015 -8.061 0.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 14.996 -6.510 -0.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 16.345 -7.518 -0.533 1.00 0.00 H new ATOM 770 N GLU A 56 14.933 -1.308 -0.982 1.00 0.00 N ATOM 771 CA GLU A 56 13.719 -1.091 -1.766 1.00 0.00 C ATOM 772 C GLU A 56 13.745 -1.894 -3.065 1.00 0.00 C ATOM 773 O GLU A 56 14.735 -1.917 -3.786 1.00 0.00 O ATOM 774 CB GLU A 56 13.493 0.403 -2.026 1.00 0.00 C ATOM 775 CG GLU A 56 14.538 1.158 -2.844 1.00 0.00 C ATOM 776 CD GLU A 56 15.794 1.483 -2.057 1.00 0.00 C ATOM 777 OE1 GLU A 56 15.733 2.540 -1.381 1.00 0.00 O ATOM 778 OE2 GLU A 56 16.759 0.700 -2.170 1.00 0.00 O ATOM 0 H GLU A 56 15.784 -1.064 -1.488 1.00 0.00 H new ATOM 0 HA GLU A 56 12.873 -1.454 -1.182 1.00 0.00 H new ATOM 0 HB2 GLU A 56 12.533 0.512 -2.530 1.00 0.00 H new ATOM 0 HB3 GLU A 56 13.404 0.900 -1.060 1.00 0.00 H new ATOM 0 HG2 GLU A 56 14.808 0.562 -3.716 1.00 0.00 H new ATOM 0 HG3 GLU A 56 14.100 2.085 -3.215 1.00 0.00 H new ATOM 785 N LEU A 57 12.650 -2.582 -3.384 1.00 0.00 N ATOM 786 CA LEU A 57 12.534 -3.255 -4.672 1.00 0.00 C ATOM 787 C LEU A 57 11.944 -2.280 -5.705 1.00 0.00 C ATOM 788 O LEU A 57 10.917 -1.668 -5.441 1.00 0.00 O ATOM 789 CB LEU A 57 11.724 -4.549 -4.460 1.00 0.00 C ATOM 790 CG LEU A 57 11.232 -5.233 -5.746 1.00 0.00 C ATOM 791 CD1 LEU A 57 12.316 -5.478 -6.792 1.00 0.00 C ATOM 792 CD2 LEU A 57 10.561 -6.589 -5.503 1.00 0.00 C ATOM 0 H LEU A 57 11.839 -2.686 -2.774 1.00 0.00 H new ATOM 0 HA LEU A 57 13.500 -3.553 -5.079 1.00 0.00 H new ATOM 0 HB2 LEU A 57 12.339 -5.256 -3.904 1.00 0.00 H new ATOM 0 HB3 LEU A 57 10.860 -4.319 -3.837 1.00 0.00 H new ATOM 0 HG LEU A 57 10.513 -4.505 -6.122 1.00 0.00 H new ATOM 0 HD11 LEU A 57 11.877 -5.964 -7.664 1.00 0.00 H new ATOM 0 HD12 LEU A 57 12.756 -4.526 -7.090 1.00 0.00 H new ATOM 0 HD13 LEU A 57 13.090 -6.119 -6.370 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.240 -7.012 -6.455 1.00 0.00 H new ATOM 0 HD22 LEU A 57 11.270 -7.266 -5.026 1.00 0.00 H new ATOM 0 HD23 LEU A 57 9.695 -6.455 -4.855 1.00 0.00 H new ATOM 804 N GLN A 58 12.518 -2.188 -6.911 1.00 0.00 N ATOM 805 CA GLN A 58 11.998 -1.430 -8.063 1.00 0.00 C ATOM 806 C GLN A 58 10.523 -1.725 -8.386 1.00 0.00 C ATOM 807 O GLN A 58 9.758 -0.808 -8.671 1.00 0.00 O ATOM 808 CB GLN A 58 12.878 -1.648 -9.316 1.00 0.00 C ATOM 809 CG GLN A 58 13.020 -3.097 -9.848 1.00 0.00 C ATOM 810 CD GLN A 58 14.048 -3.953 -9.113 1.00 0.00 C ATOM 811 OE1 GLN A 58 14.741 -3.524 -8.209 1.00 0.00 O ATOM 812 NE2 GLN A 58 14.113 -5.235 -9.392 1.00 0.00 N ATOM 0 H GLN A 58 13.397 -2.660 -7.123 1.00 0.00 H new ATOM 0 HA GLN A 58 12.044 -0.382 -7.768 1.00 0.00 H new ATOM 0 HB2 GLN A 58 12.476 -1.032 -10.121 1.00 0.00 H new ATOM 0 HB3 GLN A 58 13.877 -1.271 -9.095 1.00 0.00 H new ATOM 0 HG2 GLN A 58 12.049 -3.588 -9.786 1.00 0.00 H new ATOM 0 HG3 GLN A 58 13.290 -3.056 -10.903 1.00 0.00 H new ATOM 0 HE21 GLN A 58 13.544 -5.623 -10.144 1.00 0.00 H new ATOM 0 HE22 GLN A 58 14.733 -5.843 -8.856 1.00 0.00 H new ATOM 821 N ALA A 59 10.115 -2.996 -8.298 1.00 0.00 N ATOM 822 CA ALA A 59 8.734 -3.449 -8.507 1.00 0.00 C ATOM 823 C ALA A 59 7.775 -2.929 -7.419 1.00 0.00 C ATOM 824 O ALA A 59 6.587 -2.734 -7.665 1.00 0.00 O ATOM 825 CB ALA A 59 8.710 -4.986 -8.584 1.00 0.00 C ATOM 0 H ALA A 59 10.753 -3.759 -8.073 1.00 0.00 H new ATOM 0 HA ALA A 59 8.377 -3.033 -9.449 1.00 0.00 H new ATOM 0 HB1 ALA A 59 7.686 -5.327 -8.739 1.00 0.00 H new ATOM 0 HB2 ALA A 59 9.333 -5.318 -9.414 1.00 0.00 H new ATOM 0 HB3 ALA A 59 9.094 -5.403 -7.653 1.00 0.00 H new ATOM 831 N GLU A 60 8.303 -2.639 -6.233 1.00 0.00 N ATOM 832 CA GLU A 60 7.565 -2.033 -5.134 1.00 0.00 C ATOM 833 C GLU A 60 7.701 -0.510 -5.100 1.00 0.00 C ATOM 834 O GLU A 60 6.777 0.164 -4.655 1.00 0.00 O ATOM 835 CB GLU A 60 8.050 -2.617 -3.806 1.00 0.00 C ATOM 836 CG GLU A 60 7.300 -3.873 -3.382 1.00 0.00 C ATOM 837 CD GLU A 60 7.868 -5.183 -3.901 1.00 0.00 C ATOM 838 OE1 GLU A 60 8.773 -5.720 -3.229 1.00 0.00 O ATOM 839 OE2 GLU A 60 7.319 -5.721 -4.886 1.00 0.00 O ATOM 0 H GLU A 60 9.280 -2.824 -6.006 1.00 0.00 H new ATOM 0 HA GLU A 60 6.511 -2.261 -5.291 1.00 0.00 H new ATOM 0 HB2 GLU A 60 9.112 -2.848 -3.887 1.00 0.00 H new ATOM 0 HB3 GLU A 60 7.946 -1.862 -3.027 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.280 -3.912 -2.293 1.00 0.00 H new ATOM 0 HG3 GLU A 60 6.266 -3.788 -3.717 1.00 0.00 H new ATOM 846 N SER A 61 8.810 0.055 -5.589 1.00 0.00 N ATOM 847 CA SER A 61 9.074 1.492 -5.662 1.00 0.00 C ATOM 848 C SER A 61 7.933 2.238 -6.334 1.00 0.00 C ATOM 849 O SER A 61 7.582 3.306 -5.842 1.00 0.00 O ATOM 850 CB SER A 61 10.381 1.781 -6.408 1.00 0.00 C ATOM 851 OG SER A 61 10.604 3.174 -6.504 1.00 0.00 O ATOM 0 H SER A 61 9.580 -0.502 -5.960 1.00 0.00 H new ATOM 0 HA SER A 61 9.165 1.846 -4.635 1.00 0.00 H new ATOM 0 HB2 SER A 61 11.215 1.309 -5.888 1.00 0.00 H new ATOM 0 HB3 SER A 61 10.340 1.345 -7.406 1.00 0.00 H new ATOM 0 HG SER A 61 11.444 3.339 -6.982 1.00 0.00 H new ATOM 857 N ALA A 62 7.327 1.662 -7.378 1.00 0.00 N ATOM 858 CA ALA A 62 6.155 2.193 -8.073 1.00 0.00 C ATOM 859 C ALA A 62 4.979 2.512 -7.135 1.00 0.00 C ATOM 860 O ALA A 62 4.405 3.587 -7.258 1.00 0.00 O ATOM 861 CB ALA A 62 5.730 1.197 -9.161 1.00 0.00 C ATOM 0 H ALA A 62 7.653 0.781 -7.775 1.00 0.00 H new ATOM 0 HA ALA A 62 6.440 3.146 -8.519 1.00 0.00 H new ATOM 0 HB1 ALA A 62 4.856 1.583 -9.686 1.00 0.00 H new ATOM 0 HB2 ALA A 62 6.548 1.060 -9.869 1.00 0.00 H new ATOM 0 HB3 ALA A 62 5.484 0.240 -8.702 1.00 0.00 H new ATOM 867 N SER A 63 4.669 1.616 -6.184 1.00 0.00 N ATOM 868 CA SER A 63 3.584 1.742 -5.188 1.00 0.00 C ATOM 869 C SER A 63 3.524 3.122 -4.556 1.00 0.00 C ATOM 870 O SER A 63 2.491 3.788 -4.560 1.00 0.00 O ATOM 871 CB SER A 63 3.794 0.738 -4.049 1.00 0.00 C ATOM 872 OG SER A 63 2.913 0.961 -2.968 1.00 0.00 O ATOM 0 H SER A 63 5.189 0.744 -6.081 1.00 0.00 H new ATOM 0 HA SER A 63 2.657 1.554 -5.729 1.00 0.00 H new ATOM 0 HB2 SER A 63 3.651 -0.274 -4.429 1.00 0.00 H new ATOM 0 HB3 SER A 63 4.823 0.803 -3.695 1.00 0.00 H new ATOM 0 HG SER A 63 3.431 1.146 -2.157 1.00 0.00 H new ATOM 878 N CYS A 64 4.655 3.527 -3.977 1.00 0.00 N ATOM 879 CA CYS A 64 4.798 4.873 -3.483 1.00 0.00 C ATOM 880 C CYS A 64 5.045 5.826 -4.659 1.00 0.00 C ATOM 881 O CYS A 64 4.250 6.741 -4.840 1.00 0.00 O ATOM 882 CB CYS A 64 5.855 4.888 -2.379 1.00 0.00 C ATOM 883 SG CYS A 64 5.175 4.352 -0.789 1.00 0.00 S ATOM 0 H CYS A 64 5.475 2.936 -3.845 1.00 0.00 H new ATOM 0 HA CYS A 64 3.885 5.240 -3.014 1.00 0.00 H new ATOM 0 HB2 CYS A 64 6.682 4.236 -2.659 1.00 0.00 H new ATOM 0 HB3 CYS A 64 6.262 5.894 -2.279 1.00 0.00 H new ATOM 888 N GLY A 65 6.112 5.602 -5.443 1.00 0.00 N ATOM 889 CA GLY A 65 6.613 6.415 -6.563 1.00 0.00 C ATOM 890 C GLY A 65 6.455 7.912 -6.307 1.00 0.00 C ATOM 891 O GLY A 65 6.610 8.333 -5.177 1.00 0.00 O ATOM 0 H GLY A 65 6.695 4.778 -5.297 1.00 0.00 H new ATOM 0 HA2 GLY A 65 7.665 6.187 -6.733 1.00 0.00 H new ATOM 0 HA3 GLY A 65 6.077 6.146 -7.473 1.00 0.00 H new ATOM 895 N LYS A 66 6.194 8.761 -7.307 1.00 0.00 N ATOM 896 CA LYS A 66 5.877 10.205 -7.109 1.00 0.00 C ATOM 897 C LYS A 66 6.720 10.978 -6.062 1.00 0.00 C ATOM 898 O LYS A 66 6.186 11.761 -5.279 1.00 0.00 O ATOM 899 CB LYS A 66 4.357 10.385 -6.881 1.00 0.00 C ATOM 900 CG LYS A 66 3.812 9.760 -5.583 1.00 0.00 C ATOM 901 CD LYS A 66 2.679 10.565 -4.950 1.00 0.00 C ATOM 902 CE LYS A 66 2.035 9.725 -3.840 1.00 0.00 C ATOM 903 NZ LYS A 66 0.886 10.441 -3.237 1.00 0.00 N ATOM 0 H LYS A 66 6.193 8.477 -8.287 1.00 0.00 H new ATOM 0 HA LYS A 66 6.182 10.682 -8.040 1.00 0.00 H new ATOM 0 HB2 LYS A 66 4.130 11.451 -6.876 1.00 0.00 H new ATOM 0 HB3 LYS A 66 3.825 9.950 -7.727 1.00 0.00 H new ATOM 0 HG2 LYS A 66 3.456 8.752 -5.796 1.00 0.00 H new ATOM 0 HG3 LYS A 66 4.626 9.666 -4.864 1.00 0.00 H new ATOM 0 HD2 LYS A 66 3.063 11.500 -4.541 1.00 0.00 H new ATOM 0 HD3 LYS A 66 1.936 10.828 -5.703 1.00 0.00 H new ATOM 0 HE2 LYS A 66 1.701 8.771 -4.247 1.00 0.00 H new ATOM 0 HE3 LYS A 66 2.775 9.502 -3.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 0.465 9.854 -2.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 1.213 11.340 -2.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 0.173 10.631 -3.969 1.00 0.00 H new ATOM 917 N GLY A 67 8.039 10.763 -6.040 1.00 0.00 N ATOM 918 CA GLY A 67 8.938 11.332 -5.017 1.00 0.00 C ATOM 919 C GLY A 67 9.073 10.505 -3.723 1.00 0.00 C ATOM 920 O GLY A 67 9.497 11.024 -2.697 1.00 0.00 O ATOM 0 H GLY A 67 8.520 10.188 -6.731 1.00 0.00 H new ATOM 0 HA2 GLY A 67 9.929 11.454 -5.455 1.00 0.00 H new ATOM 0 HA3 GLY A 67 8.580 12.328 -4.756 1.00 0.00 H new ATOM 924 N GLN A 68 8.683 9.234 -3.749 1.00 0.00 N ATOM 925 CA GLN A 68 8.664 8.273 -2.644 1.00 0.00 C ATOM 926 C GLN A 68 9.071 6.877 -3.154 1.00 0.00 C ATOM 927 O GLN A 68 8.863 6.523 -4.315 1.00 0.00 O ATOM 928 CB GLN A 68 7.249 8.224 -2.033 1.00 0.00 C ATOM 929 CG GLN A 68 6.773 9.529 -1.380 1.00 0.00 C ATOM 930 CD GLN A 68 7.553 9.863 -0.114 1.00 0.00 C ATOM 931 OE1 GLN A 68 8.033 9.003 0.607 1.00 0.00 O ATOM 932 NE2 GLN A 68 7.708 11.118 0.232 1.00 0.00 N ATOM 0 H GLN A 68 8.344 8.812 -4.614 1.00 0.00 H new ATOM 0 HA GLN A 68 9.375 8.585 -1.879 1.00 0.00 H new ATOM 0 HB2 GLN A 68 6.542 7.949 -2.816 1.00 0.00 H new ATOM 0 HB3 GLN A 68 7.221 7.431 -1.286 1.00 0.00 H new ATOM 0 HG2 GLN A 68 6.875 10.347 -2.093 1.00 0.00 H new ATOM 0 HG3 GLN A 68 5.713 9.446 -1.139 1.00 0.00 H new ATOM 0 HE21 GLN A 68 7.318 11.859 -0.350 1.00 0.00 H new ATOM 0 HE22 GLN A 68 8.218 11.353 1.083 1.00 0.00 H new ATOM 941 N LYS A 69 9.640 6.049 -2.279 1.00 0.00 N ATOM 942 CA LYS A 69 10.028 4.663 -2.573 1.00 0.00 C ATOM 943 C LYS A 69 9.465 3.728 -1.510 1.00 0.00 C ATOM 944 O LYS A 69 9.086 4.147 -0.422 1.00 0.00 O ATOM 945 CB LYS A 69 11.558 4.567 -2.643 1.00 0.00 C ATOM 946 CG LYS A 69 12.139 5.097 -3.961 1.00 0.00 C ATOM 947 CD LYS A 69 13.644 4.832 -4.130 1.00 0.00 C ATOM 948 CE LYS A 69 14.589 5.448 -3.073 1.00 0.00 C ATOM 949 NZ LYS A 69 14.501 4.844 -1.712 1.00 0.00 N ATOM 0 H LYS A 69 9.851 6.327 -1.321 1.00 0.00 H new ATOM 0 HA LYS A 69 9.617 4.361 -3.536 1.00 0.00 H new ATOM 0 HB2 LYS A 69 11.989 5.127 -1.813 1.00 0.00 H new ATOM 0 HB3 LYS A 69 11.856 3.526 -2.515 1.00 0.00 H new ATOM 0 HG2 LYS A 69 11.604 4.639 -4.793 1.00 0.00 H new ATOM 0 HG3 LYS A 69 11.960 6.171 -4.020 1.00 0.00 H new ATOM 0 HD2 LYS A 69 13.799 3.753 -4.135 1.00 0.00 H new ATOM 0 HD3 LYS A 69 13.945 5.202 -5.110 1.00 0.00 H new ATOM 0 HE2 LYS A 69 15.615 5.355 -3.428 1.00 0.00 H new ATOM 0 HE3 LYS A 69 14.374 6.514 -2.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 14.409 5.599 -1.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 13.671 4.219 -1.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 15.362 4.292 -1.521 1.00 0.00 H new ATOM 963 N CYS A 70 9.395 2.449 -1.847 1.00 0.00 N ATOM 964 CA CYS A 70 8.910 1.408 -0.949 1.00 0.00 C ATOM 965 C CYS A 70 10.077 0.687 -0.274 1.00 0.00 C ATOM 966 O CYS A 70 10.765 -0.096 -0.927 1.00 0.00 O ATOM 967 CB CYS A 70 8.101 0.391 -1.733 1.00 0.00 C ATOM 968 SG CYS A 70 7.330 -0.796 -0.600 1.00 0.00 S ATOM 0 H CYS A 70 9.677 2.099 -2.763 1.00 0.00 H new ATOM 0 HA CYS A 70 8.289 1.879 -0.187 1.00 0.00 H new ATOM 0 HB2 CYS A 70 7.334 0.898 -2.319 1.00 0.00 H new ATOM 0 HB3 CYS A 70 8.746 -0.133 -2.438 1.00 0.00 H new ATOM 973 N CYS A 71 10.292 0.930 1.013 1.00 0.00 N ATOM 974 CA CYS A 71 11.334 0.260 1.782 1.00 0.00 C ATOM 975 C CYS A 71 10.735 -0.791 2.715 1.00 0.00 C ATOM 976 O CYS A 71 9.607 -0.653 3.190 1.00 0.00 O ATOM 977 CB CYS A 71 12.117 1.310 2.565 1.00 0.00 C ATOM 978 SG CYS A 71 13.475 2.064 1.638 1.00 0.00 S ATOM 0 H CYS A 71 9.746 1.600 1.555 1.00 0.00 H new ATOM 0 HA CYS A 71 12.009 -0.262 1.104 1.00 0.00 H new ATOM 0 HB2 CYS A 71 11.431 2.094 2.886 1.00 0.00 H new ATOM 0 HB3 CYS A 71 12.519 0.849 3.467 1.00 0.00 H new ATOM 983 N VAL A 72 11.517 -1.821 3.022 1.00 0.00 N ATOM 984 CA VAL A 72 11.142 -2.888 3.954 1.00 0.00 C ATOM 985 C VAL A 72 12.087 -2.923 5.155 1.00 0.00 C ATOM 986 O VAL A 72 13.281 -2.633 5.037 1.00 0.00 O ATOM 987 CB VAL A 72 11.078 -4.253 3.241 1.00 0.00 C ATOM 988 CG1 VAL A 72 9.898 -4.310 2.256 1.00 0.00 C ATOM 989 CG2 VAL A 72 12.363 -4.605 2.470 1.00 0.00 C ATOM 0 H VAL A 72 12.448 -1.943 2.624 1.00 0.00 H new ATOM 0 HA VAL A 72 10.142 -2.671 4.330 1.00 0.00 H new ATOM 0 HB VAL A 72 10.949 -4.983 4.040 1.00 0.00 H new ATOM 0 HG11 VAL A 72 9.878 -5.284 1.768 1.00 0.00 H new ATOM 0 HG12 VAL A 72 8.964 -4.156 2.797 1.00 0.00 H new ATOM 0 HG13 VAL A 72 10.014 -3.530 1.504 1.00 0.00 H new ATOM 0 HG21 VAL A 72 12.246 -5.578 1.994 1.00 0.00 H new ATOM 0 HG22 VAL A 72 12.549 -3.848 1.708 1.00 0.00 H new ATOM 0 HG23 VAL A 72 13.205 -4.638 3.162 1.00 0.00 H new ATOM 999 N TRP A 73 11.544 -3.292 6.316 1.00 0.00 N ATOM 1000 CA TRP A 73 12.292 -3.418 7.570 1.00 0.00 C ATOM 1001 C TRP A 73 12.480 -4.876 7.972 1.00 0.00 C ATOM 1002 O TRP A 73 13.586 -5.409 7.901 1.00 0.00 O ATOM 1003 CB TRP A 73 11.603 -2.615 8.680 1.00 0.00 C ATOM 1004 CG TRP A 73 11.497 -1.153 8.404 1.00 0.00 C ATOM 1005 CD1 TRP A 73 10.347 -0.458 8.264 1.00 0.00 C ATOM 1006 CD2 TRP A 73 12.581 -0.200 8.205 1.00 0.00 C ATOM 1007 NE1 TRP A 73 10.648 0.868 8.017 1.00 0.00 N ATOM 1008 CE2 TRP A 73 12.010 1.082 7.958 1.00 0.00 C ATOM 1009 CE3 TRP A 73 13.989 -0.296 8.203 1.00 0.00 C ATOM 1010 CZ2 TRP A 73 12.802 2.219 7.724 1.00 0.00 C ATOM 1011 CZ3 TRP A 73 14.793 0.834 7.968 1.00 0.00 C ATOM 1012 CH2 TRP A 73 14.203 2.089 7.728 1.00 0.00 C ATOM 0 H TRP A 73 10.554 -3.516 6.414 1.00 0.00 H new ATOM 0 HA TRP A 73 13.288 -3.005 7.413 1.00 0.00 H new ATOM 0 HB2 TRP A 73 10.602 -3.017 8.835 1.00 0.00 H new ATOM 0 HB3 TRP A 73 12.152 -2.758 9.611 1.00 0.00 H new ATOM 0 HD1 TRP A 73 9.352 -0.872 8.334 1.00 0.00 H new ATOM 0 HE1 TRP A 73 9.948 1.600 7.893 1.00 0.00 H new ATOM 0 HE3 TRP A 73 14.457 -1.252 8.385 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 12.342 3.179 7.544 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 15.869 0.738 7.972 1.00 0.00 H new ATOM 0 HH2 TRP A 73 14.826 2.953 7.547 1.00 0.00 H new ATOM 1023 N LEU A 74 11.399 -5.503 8.437 1.00 0.00 N ATOM 1024 CA LEU A 74 11.373 -6.910 8.814 1.00 0.00 C ATOM 1025 C LEU A 74 11.496 -7.809 7.569 1.00 0.00 C ATOM 1026 O LEU A 74 11.566 -7.343 6.431 1.00 0.00 O ATOM 1027 CB LEU A 74 10.113 -7.191 9.676 1.00 0.00 C ATOM 1028 CG LEU A 74 10.225 -6.807 11.171 1.00 0.00 C ATOM 1029 CD1 LEU A 74 11.171 -7.748 11.929 1.00 0.00 C ATOM 1030 CD2 LEU A 74 10.648 -5.356 11.417 1.00 0.00 C ATOM 0 H LEU A 74 10.502 -5.035 8.563 1.00 0.00 H new ATOM 0 HA LEU A 74 12.237 -7.153 9.433 1.00 0.00 H new ATOM 0 HB2 LEU A 74 9.271 -6.651 9.243 1.00 0.00 H new ATOM 0 HB3 LEU A 74 9.879 -8.253 9.609 1.00 0.00 H new ATOM 0 HG LEU A 74 9.211 -6.914 11.556 1.00 0.00 H new ATOM 0 HD11 LEU A 74 11.223 -7.446 12.975 1.00 0.00 H new ATOM 0 HD12 LEU A 74 10.797 -8.770 11.864 1.00 0.00 H new ATOM 0 HD13 LEU A 74 12.166 -7.698 11.487 1.00 0.00 H new ATOM 0 HD21 LEU A 74 10.702 -5.170 12.490 1.00 0.00 H new ATOM 0 HD22 LEU A 74 11.626 -5.181 10.968 1.00 0.00 H new ATOM 0 HD23 LEU A 74 9.917 -4.683 10.968 1.00 0.00 H new ATOM 1042 N HIS A 75 11.578 -9.113 7.821 1.00 0.00 N ATOM 1043 CA HIS A 75 11.610 -10.163 6.806 1.00 0.00 C ATOM 1044 C HIS A 75 10.234 -10.801 6.605 1.00 0.00 C ATOM 1045 O HIS A 75 9.564 -11.029 7.639 1.00 0.00 O ATOM 1046 CB HIS A 75 12.638 -11.229 7.213 1.00 0.00 C ATOM 1047 CG HIS A 75 12.323 -11.914 8.524 1.00 0.00 C ATOM 1048 ND1 HIS A 75 11.306 -12.825 8.715 1.00 0.00 N ATOM 1049 CD2 HIS A 75 12.912 -11.670 9.732 1.00 0.00 C ATOM 1050 CE1 HIS A 75 11.300 -13.172 10.016 1.00 0.00 C ATOM 1051 NE2 HIS A 75 12.271 -12.481 10.656 1.00 0.00 N ATOM 1052 OXT HIS A 75 9.987 -11.240 5.469 1.00 0.00 O ATOM 0 H HIS A 75 11.626 -9.481 8.771 1.00 0.00 H new ATOM 0 HA HIS A 75 11.899 -9.713 5.856 1.00 0.00 H new ATOM 0 HB2 HIS A 75 12.698 -11.981 6.426 1.00 0.00 H new ATOM 0 HB3 HIS A 75 13.621 -10.763 7.284 1.00 0.00 H new ATOM 0 HD2 HIS A 75 13.719 -10.980 9.929 1.00 0.00 H new ATOM 0 HE1 HIS A 75 10.630 -13.885 10.473 1.00 0.00 H new ATOM 0 HE2 HIS A 75 12.494 -12.546 11.649 1.00 0.00 H new TER 1061 HIS A 75