USER MOD reduce.3.24.130724 H: found=0, std=0, add=610, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 609 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 ALA N :NH3+ -124:sc= 0.387 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 173:sc= 0.728 (180deg=0.594) USER MOD Single : A 14 HIS : no HD1:sc= -0.553 X(o=-0.55,f=-1) USER MOD Single : A 20 LYS NZ :NH3+ -142:sc= -2.14! (180deg=-5.3!) USER MOD Single : A 24 LYS NZ :NH3+ -110:sc= 0.574 (180deg=-0.906!) USER MOD Single : A 30 ASN : amide:sc= -6.27! C(o=-6.3!,f=-23!) USER MOD Single : A 36 CYS SG : rot -108:sc= 0.707 USER MOD Single : A 39 GLN : amide:sc= 0.602 K(o=0.6,f=-0.25) USER MOD Single : A 40 ASN : amide:sc= -4.29! K(o=-4.3!,f=-2.3) USER MOD Single : A 42 LYS NZ :NH3+ 164:sc= -0.0787 (180deg=-0.517) USER MOD Single : A 49 SER OG : rot 31:sc= -4.07! USER MOD Single : A 52 LYS NZ :NH3+ -147:sc= -0.196 (180deg=-2.68!) USER MOD Single : A 54 LYS NZ :NH3+ 124:sc= -5.72! (180deg=-9.27!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.562 USER MOD Single : A 70 GLN : amide:sc= -0.0224 K(o=-0.022,f=-0.85) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 59:sc= 0.916 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 1.624 -14.439 1.004 1.00 0.00 N ATOM 2 CA ALA A 1 1.916 -13.063 0.483 1.00 0.00 C ATOM 3 C ALA A 1 1.458 -12.118 1.578 1.00 0.00 C ATOM 4 O ALA A 1 1.025 -12.598 2.605 1.00 0.00 O ATOM 5 CB ALA A 1 1.112 -12.704 -0.780 1.00 0.00 C ATOM 0 H1 ALA A 1 2.497 -15.005 0.998 1.00 0.00 H new ATOM 0 H2 ALA A 1 1.261 -14.372 1.976 1.00 0.00 H new ATOM 0 H3 ALA A 1 0.912 -14.895 0.399 1.00 0.00 H new ATOM 0 HA ALA A 1 2.973 -12.999 0.225 1.00 0.00 H new ATOM 0 HB1 ALA A 1 1.372 -11.696 -1.103 1.00 0.00 H new ATOM 0 HB2 ALA A 1 1.348 -13.412 -1.575 1.00 0.00 H new ATOM 0 HB3 ALA A 1 0.046 -12.750 -0.558 1.00 0.00 H new ATOM 13 N PHE A 2 1.561 -10.851 1.321 1.00 0.00 N ATOM 14 CA PHE A 2 1.141 -9.805 2.311 1.00 0.00 C ATOM 15 C PHE A 2 0.067 -9.058 1.506 1.00 0.00 C ATOM 16 O PHE A 2 0.079 -9.163 0.283 1.00 0.00 O ATOM 17 CB PHE A 2 2.381 -8.914 2.635 1.00 0.00 C ATOM 18 CG PHE A 2 2.342 -8.196 4.012 1.00 0.00 C ATOM 19 CD1 PHE A 2 1.239 -8.228 4.843 1.00 0.00 C ATOM 20 CD2 PHE A 2 3.461 -7.490 4.450 1.00 0.00 C ATOM 21 CE1 PHE A 2 1.239 -7.588 6.059 1.00 0.00 C ATOM 22 CE2 PHE A 2 3.458 -6.849 5.676 1.00 0.00 C ATOM 23 CZ PHE A 2 2.346 -6.896 6.483 1.00 0.00 C ATOM 0 H PHE A 2 1.927 -10.477 0.446 1.00 0.00 H new ATOM 0 HA PHE A 2 0.771 -10.160 3.273 1.00 0.00 H new ATOM 0 HB2 PHE A 2 3.275 -9.536 2.593 1.00 0.00 H new ATOM 0 HB3 PHE A 2 2.480 -8.160 1.854 1.00 0.00 H new ATOM 0 HD1 PHE A 2 0.357 -8.768 4.530 1.00 0.00 H new ATOM 0 HD2 PHE A 2 4.341 -7.443 3.825 1.00 0.00 H new ATOM 0 HE1 PHE A 2 0.361 -7.630 6.686 1.00 0.00 H new ATOM 0 HE2 PHE A 2 4.335 -6.308 6.001 1.00 0.00 H new ATOM 0 HZ PHE A 2 2.343 -6.394 7.439 1.00 0.00 H new ATOM 33 N GLU A 3 -0.804 -8.347 2.160 1.00 0.00 N ATOM 34 CA GLU A 3 -1.876 -7.598 1.464 1.00 0.00 C ATOM 35 C GLU A 3 -1.670 -6.121 1.757 1.00 0.00 C ATOM 36 O GLU A 3 -0.589 -5.694 2.120 1.00 0.00 O ATOM 37 CB GLU A 3 -3.257 -8.165 1.984 1.00 0.00 C ATOM 38 CG GLU A 3 -3.222 -8.573 3.476 1.00 0.00 C ATOM 39 CD GLU A 3 -2.727 -7.412 4.321 1.00 0.00 C ATOM 40 OE1 GLU A 3 -3.305 -6.347 4.198 1.00 0.00 O ATOM 41 OE2 GLU A 3 -1.785 -7.693 5.031 1.00 0.00 O ATOM 0 H GLU A 3 -0.815 -8.253 3.176 1.00 0.00 H new ATOM 0 HA GLU A 3 -1.860 -7.716 0.380 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -4.031 -7.411 1.838 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -3.537 -9.030 1.383 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -4.218 -8.873 3.803 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -2.569 -9.436 3.610 1.00 0.00 H new ATOM 48 N PHE A 4 -2.726 -5.400 1.548 1.00 0.00 N ATOM 49 CA PHE A 4 -2.718 -3.930 1.782 1.00 0.00 C ATOM 50 C PHE A 4 -3.876 -3.532 2.705 1.00 0.00 C ATOM 51 O PHE A 4 -3.852 -2.486 3.323 1.00 0.00 O ATOM 52 CB PHE A 4 -2.836 -3.214 0.415 1.00 0.00 C ATOM 53 CG PHE A 4 -2.637 -1.707 0.621 1.00 0.00 C ATOM 54 CD1 PHE A 4 -1.419 -1.234 1.071 1.00 0.00 C ATOM 55 CD2 PHE A 4 -3.661 -0.811 0.372 1.00 0.00 C ATOM 56 CE1 PHE A 4 -1.223 0.113 1.269 1.00 0.00 C ATOM 57 CE2 PHE A 4 -3.463 0.539 0.572 1.00 0.00 C ATOM 58 CZ PHE A 4 -2.244 1.001 1.021 1.00 0.00 C ATOM 0 H PHE A 4 -3.616 -5.772 1.217 1.00 0.00 H new ATOM 0 HA PHE A 4 -1.789 -3.635 2.269 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -2.089 -3.601 -0.278 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -3.813 -3.408 -0.028 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -0.615 -1.927 1.269 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -4.617 -1.169 0.020 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -0.267 0.474 1.619 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -4.265 1.236 0.376 1.00 0.00 H new ATOM 0 HZ PHE A 4 -2.091 2.059 1.178 1.00 0.00 H new ATOM 68 N LYS A 5 -4.886 -4.352 2.775 1.00 0.00 N ATOM 69 CA LYS A 5 -6.040 -4.057 3.632 1.00 0.00 C ATOM 70 C LYS A 5 -6.311 -5.342 4.406 1.00 0.00 C ATOM 71 O LYS A 5 -6.167 -6.426 3.874 1.00 0.00 O ATOM 72 CB LYS A 5 -7.263 -3.759 2.806 1.00 0.00 C ATOM 73 CG LYS A 5 -7.058 -2.561 1.819 1.00 0.00 C ATOM 74 CD LYS A 5 -7.022 -1.252 2.669 1.00 0.00 C ATOM 75 CE LYS A 5 -7.515 -0.052 1.829 1.00 0.00 C ATOM 76 NZ LYS A 5 -7.675 1.157 2.702 1.00 0.00 N ATOM 0 H LYS A 5 -4.951 -5.230 2.259 1.00 0.00 H new ATOM 0 HA LYS A 5 -5.833 -3.196 4.268 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -7.536 -4.648 2.238 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -8.098 -3.536 3.470 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -6.130 -2.680 1.259 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -7.867 -2.522 1.090 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -7.649 -1.367 3.553 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -6.007 -1.066 3.020 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -6.805 0.159 1.030 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -8.466 -0.296 1.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -7.891 1.985 2.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -8.452 0.999 3.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -6.793 1.326 3.226 1.00 0.00 H new ATOM 90 N LEU A 6 -6.734 -5.168 5.619 1.00 0.00 N ATOM 91 CA LEU A 6 -7.034 -6.324 6.485 1.00 0.00 C ATOM 92 C LEU A 6 -8.513 -6.628 6.203 1.00 0.00 C ATOM 93 O LEU A 6 -9.163 -5.877 5.498 1.00 0.00 O ATOM 94 CB LEU A 6 -6.823 -5.898 7.950 1.00 0.00 C ATOM 95 CG LEU A 6 -5.351 -5.463 8.209 1.00 0.00 C ATOM 96 CD1 LEU A 6 -5.231 -4.883 9.642 1.00 0.00 C ATOM 97 CD2 LEU A 6 -4.383 -6.662 8.034 1.00 0.00 C ATOM 0 H LEU A 6 -6.886 -4.257 6.052 1.00 0.00 H new ATOM 0 HA LEU A 6 -6.405 -7.195 6.303 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -7.495 -5.075 8.191 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -7.081 -6.725 8.612 1.00 0.00 H new ATOM 0 HG LEU A 6 -5.076 -4.699 7.482 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -4.201 -4.578 9.826 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -5.889 -4.019 9.741 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -5.519 -5.644 10.368 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -3.360 -6.334 8.220 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -4.646 -7.448 8.741 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -4.461 -7.047 7.017 1.00 0.00 H new ATOM 109 N PRO A 7 -9.020 -7.702 6.742 1.00 0.00 N ATOM 110 CA PRO A 7 -10.479 -7.876 6.945 1.00 0.00 C ATOM 111 C PRO A 7 -11.222 -6.621 7.477 1.00 0.00 C ATOM 112 O PRO A 7 -11.467 -6.547 8.664 1.00 0.00 O ATOM 113 CB PRO A 7 -10.547 -9.104 7.876 1.00 0.00 C ATOM 114 CG PRO A 7 -9.334 -9.964 7.395 1.00 0.00 C ATOM 115 CD PRO A 7 -8.231 -8.886 7.208 1.00 0.00 C ATOM 0 HA PRO A 7 -11.013 -8.026 6.007 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -10.454 -8.823 8.925 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -11.490 -9.640 7.772 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -9.049 -10.716 8.131 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -9.550 -10.492 6.466 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -7.700 -8.681 8.138 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -7.484 -9.191 6.475 1.00 0.00 H new ATOM 123 N ASP A 8 -11.542 -5.699 6.604 1.00 0.00 N ATOM 124 CA ASP A 8 -12.264 -4.445 6.970 1.00 0.00 C ATOM 125 C ASP A 8 -13.523 -4.492 6.109 1.00 0.00 C ATOM 126 O ASP A 8 -14.600 -4.734 6.618 1.00 0.00 O ATOM 127 CB ASP A 8 -11.447 -3.257 6.575 1.00 0.00 C ATOM 128 CG ASP A 8 -12.211 -1.969 6.878 1.00 0.00 C ATOM 129 OD1 ASP A 8 -13.099 -1.702 6.081 1.00 0.00 O ATOM 130 OD2 ASP A 8 -11.895 -1.337 7.862 1.00 0.00 O ATOM 0 H ASP A 8 -11.321 -5.770 5.611 1.00 0.00 H new ATOM 0 HA ASP A 8 -12.468 -4.369 8.038 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -10.500 -3.262 7.114 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -11.209 -3.307 5.512 1.00 0.00 H new ATOM 135 N ILE A 9 -13.345 -4.266 4.834 1.00 0.00 N ATOM 136 CA ILE A 9 -14.475 -4.277 3.848 1.00 0.00 C ATOM 137 C ILE A 9 -15.781 -3.671 4.422 1.00 0.00 C ATOM 138 O ILE A 9 -16.862 -4.172 4.169 1.00 0.00 O ATOM 139 CB ILE A 9 -14.760 -5.777 3.352 1.00 0.00 C ATOM 140 CG1 ILE A 9 -15.050 -6.738 4.557 1.00 0.00 C ATOM 141 CG2 ILE A 9 -13.568 -6.333 2.543 1.00 0.00 C ATOM 142 CD1 ILE A 9 -15.448 -8.157 4.077 1.00 0.00 C ATOM 0 H ILE A 9 -12.435 -4.068 4.419 1.00 0.00 H new ATOM 0 HA ILE A 9 -14.164 -3.652 3.010 1.00 0.00 H new ATOM 0 HB ILE A 9 -15.642 -5.733 2.713 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -14.166 -6.803 5.191 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -15.851 -6.323 5.169 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -13.790 -7.350 2.221 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -13.397 -5.705 1.669 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -12.675 -6.337 3.168 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -15.641 -8.793 4.941 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -16.347 -8.095 3.464 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -14.636 -8.583 3.487 1.00 0.00 H new ATOM 154 N GLY A 10 -15.677 -2.603 5.164 1.00 0.00 N ATOM 155 CA GLY A 10 -16.904 -2.008 5.718 1.00 0.00 C ATOM 156 C GLY A 10 -16.696 -0.958 6.795 1.00 0.00 C ATOM 157 O GLY A 10 -17.651 -0.258 7.082 1.00 0.00 O ATOM 0 H GLY A 10 -14.806 -2.129 5.403 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -17.469 -1.558 4.902 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -17.520 -2.807 6.129 1.00 0.00 H new ATOM 161 N GLU A 11 -15.536 -0.827 7.374 1.00 0.00 N ATOM 162 CA GLU A 11 -15.385 0.204 8.423 1.00 0.00 C ATOM 163 C GLU A 11 -14.695 1.481 7.966 1.00 0.00 C ATOM 164 O GLU A 11 -14.333 1.680 6.826 1.00 0.00 O ATOM 165 CB GLU A 11 -14.636 -0.455 9.568 1.00 0.00 C ATOM 166 CG GLU A 11 -15.588 -1.396 10.343 1.00 0.00 C ATOM 167 CD GLU A 11 -15.023 -1.587 11.747 1.00 0.00 C ATOM 168 OE1 GLU A 11 -14.896 -0.562 12.400 1.00 0.00 O ATOM 169 OE2 GLU A 11 -14.759 -2.727 12.073 1.00 0.00 O ATOM 0 H GLU A 11 -14.704 -1.380 7.168 1.00 0.00 H new ATOM 0 HA GLU A 11 -16.375 0.546 8.723 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -13.787 -1.019 9.182 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -14.236 0.305 10.239 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -16.590 -0.970 10.390 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -15.674 -2.356 9.833 1.00 0.00 H new ATOM 176 N GLY A 12 -14.570 2.306 8.965 1.00 0.00 N ATOM 177 CA GLY A 12 -13.951 3.664 8.905 1.00 0.00 C ATOM 178 C GLY A 12 -13.331 4.062 7.571 1.00 0.00 C ATOM 179 O GLY A 12 -13.821 4.960 6.921 1.00 0.00 O ATOM 0 H GLY A 12 -14.901 2.071 9.901 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -14.713 4.400 9.162 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -13.180 3.723 9.673 1.00 0.00 H new ATOM 183 N ILE A 13 -12.282 3.384 7.215 1.00 0.00 N ATOM 184 CA ILE A 13 -11.569 3.673 5.939 1.00 0.00 C ATOM 185 C ILE A 13 -11.468 2.332 5.194 1.00 0.00 C ATOM 186 O ILE A 13 -10.429 1.694 5.107 1.00 0.00 O ATOM 187 CB ILE A 13 -10.202 4.289 6.314 1.00 0.00 C ATOM 188 CG1 ILE A 13 -10.376 5.588 7.196 1.00 0.00 C ATOM 189 CG2 ILE A 13 -9.332 4.652 5.074 1.00 0.00 C ATOM 190 CD1 ILE A 13 -11.127 6.701 6.430 1.00 0.00 C ATOM 0 H ILE A 13 -11.878 2.625 7.764 1.00 0.00 H new ATOM 0 HA ILE A 13 -12.072 4.385 5.284 1.00 0.00 H new ATOM 0 HB ILE A 13 -9.687 3.514 6.881 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -10.922 5.340 8.106 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -9.396 5.954 7.502 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -8.386 5.080 5.406 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -9.138 3.753 4.490 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -9.862 5.378 4.458 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -11.227 7.578 7.069 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -10.567 6.967 5.534 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -12.117 6.343 6.147 1.00 0.00 H new ATOM 202 N HIS A 14 -12.591 1.979 4.640 1.00 0.00 N ATOM 203 CA HIS A 14 -12.726 0.704 3.876 1.00 0.00 C ATOM 204 C HIS A 14 -12.218 0.844 2.451 1.00 0.00 C ATOM 205 O HIS A 14 -12.320 -0.065 1.650 1.00 0.00 O ATOM 206 CB HIS A 14 -14.208 0.289 3.856 1.00 0.00 C ATOM 207 CG HIS A 14 -15.128 1.510 3.633 1.00 0.00 C ATOM 208 ND1 HIS A 14 -15.141 2.371 2.655 1.00 0.00 N ATOM 209 CD2 HIS A 14 -16.149 1.946 4.467 1.00 0.00 C ATOM 210 CE1 HIS A 14 -16.074 3.247 2.869 1.00 0.00 C ATOM 211 NE2 HIS A 14 -16.725 3.022 3.980 1.00 0.00 N ATOM 0 H HIS A 14 -13.445 2.534 4.685 1.00 0.00 H new ATOM 0 HA HIS A 14 -12.121 -0.057 4.369 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -14.373 -0.443 3.065 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -14.465 -0.196 4.798 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -16.432 1.465 5.392 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -16.289 4.070 2.204 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -17.498 3.556 4.376 1.00 0.00 H new ATOM 219 N GLU A 15 -11.677 1.981 2.140 1.00 0.00 N ATOM 220 CA GLU A 15 -11.142 2.226 0.773 1.00 0.00 C ATOM 221 C GLU A 15 -9.757 2.834 0.837 1.00 0.00 C ATOM 222 O GLU A 15 -9.182 2.987 1.901 1.00 0.00 O ATOM 223 CB GLU A 15 -12.145 3.136 0.055 1.00 0.00 C ATOM 224 CG GLU A 15 -12.711 4.227 1.001 1.00 0.00 C ATOM 225 CD GLU A 15 -13.918 4.823 0.294 1.00 0.00 C ATOM 226 OE1 GLU A 15 -14.850 4.046 0.165 1.00 0.00 O ATOM 227 OE2 GLU A 15 -13.817 5.981 -0.059 1.00 0.00 O ATOM 0 H GLU A 15 -11.580 2.766 2.784 1.00 0.00 H new ATOM 0 HA GLU A 15 -11.031 1.293 0.220 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -11.660 3.610 -0.798 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -12.965 2.535 -0.338 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -12.996 3.798 1.962 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -11.962 4.993 1.203 1.00 0.00 H new ATOM 234 N GLY A 16 -9.242 3.142 -0.304 1.00 0.00 N ATOM 235 CA GLY A 16 -7.882 3.752 -0.402 1.00 0.00 C ATOM 236 C GLY A 16 -7.785 4.725 -1.568 1.00 0.00 C ATOM 237 O GLY A 16 -7.918 4.286 -2.690 1.00 0.00 O ATOM 0 H GLY A 16 -9.708 2.998 -1.200 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -7.649 4.272 0.527 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -7.138 2.965 -0.522 1.00 0.00 H new ATOM 241 N GLU A 17 -7.560 5.980 -1.292 1.00 0.00 N ATOM 242 CA GLU A 17 -7.441 7.029 -2.345 1.00 0.00 C ATOM 243 C GLU A 17 -5.921 7.207 -2.371 1.00 0.00 C ATOM 244 O GLU A 17 -5.363 7.717 -1.420 1.00 0.00 O ATOM 245 CB GLU A 17 -8.136 8.291 -1.846 1.00 0.00 C ATOM 246 CG GLU A 17 -8.320 9.333 -2.956 1.00 0.00 C ATOM 247 CD GLU A 17 -8.663 10.649 -2.291 1.00 0.00 C ATOM 248 OE1 GLU A 17 -9.657 10.729 -1.591 1.00 0.00 O ATOM 249 OE2 GLU A 17 -7.861 11.519 -2.545 1.00 0.00 O ATOM 0 H GLU A 17 -7.450 6.334 -0.342 1.00 0.00 H new ATOM 0 HA GLU A 17 -7.878 6.799 -3.317 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -9.110 8.028 -1.433 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.553 8.727 -1.035 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -7.409 9.428 -3.548 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -9.114 9.030 -3.639 1.00 0.00 H new ATOM 256 N ILE A 18 -5.263 6.786 -3.409 1.00 0.00 N ATOM 257 CA ILE A 18 -3.801 6.921 -3.495 1.00 0.00 C ATOM 258 C ILE A 18 -3.510 8.149 -4.351 1.00 0.00 C ATOM 259 O ILE A 18 -3.987 8.255 -5.464 1.00 0.00 O ATOM 260 CB ILE A 18 -3.343 5.627 -4.104 1.00 0.00 C ATOM 261 CG1 ILE A 18 -3.956 4.431 -3.296 1.00 0.00 C ATOM 262 CG2 ILE A 18 -1.846 5.624 -4.004 1.00 0.00 C ATOM 263 CD1 ILE A 18 -4.726 3.510 -4.245 1.00 0.00 C ATOM 0 H ILE A 18 -5.696 6.343 -4.219 1.00 0.00 H new ATOM 0 HA ILE A 18 -3.282 7.075 -2.549 1.00 0.00 H new ATOM 0 HB ILE A 18 -3.660 5.525 -5.142 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -3.164 3.874 -2.795 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -4.621 4.807 -2.519 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -1.454 4.702 -4.434 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -1.443 6.478 -4.549 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -1.551 5.690 -2.957 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -5.151 2.680 -3.681 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -5.528 4.071 -4.725 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -4.048 3.123 -5.006 1.00 0.00 H new ATOM 275 N VAL A 19 -2.719 9.020 -3.800 1.00 0.00 N ATOM 276 CA VAL A 19 -2.344 10.268 -4.487 1.00 0.00 C ATOM 277 C VAL A 19 -1.027 10.076 -5.235 1.00 0.00 C ATOM 278 O VAL A 19 -0.991 10.196 -6.442 1.00 0.00 O ATOM 279 CB VAL A 19 -2.223 11.362 -3.396 1.00 0.00 C ATOM 280 CG1 VAL A 19 -2.200 12.770 -4.017 1.00 0.00 C ATOM 281 CG2 VAL A 19 -3.359 11.228 -2.348 1.00 0.00 C ATOM 0 H VAL A 19 -2.308 8.909 -2.873 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.090 10.558 -5.227 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.274 11.216 -2.881 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.114 13.515 -3.226 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -1.348 12.857 -4.691 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -3.122 12.937 -4.575 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.252 12.007 -1.593 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -4.325 11.333 -2.843 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.300 10.250 -1.871 1.00 0.00 H new ATOM 291 N LYS A 20 0.022 9.783 -4.516 1.00 0.00 N ATOM 292 CA LYS A 20 1.342 9.592 -5.176 1.00 0.00 C ATOM 293 C LYS A 20 2.015 8.292 -4.724 1.00 0.00 C ATOM 294 O LYS A 20 1.803 7.843 -3.613 1.00 0.00 O ATOM 295 CB LYS A 20 2.191 10.835 -4.801 1.00 0.00 C ATOM 296 CG LYS A 20 3.603 10.766 -5.387 1.00 0.00 C ATOM 297 CD LYS A 20 4.543 11.784 -4.655 1.00 0.00 C ATOM 298 CE LYS A 20 5.948 11.233 -4.806 1.00 0.00 C ATOM 299 NZ LYS A 20 5.915 9.963 -4.044 1.00 0.00 N ATOM 0 H LYS A 20 0.021 9.668 -3.502 1.00 0.00 H new ATOM 0 HA LYS A 20 1.232 9.503 -6.257 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.693 11.735 -5.161 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.253 10.917 -3.716 1.00 0.00 H new ATOM 0 HG2 LYS A 20 3.998 9.756 -5.284 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.573 10.989 -6.453 1.00 0.00 H new ATOM 0 HD2 LYS A 20 4.463 12.777 -5.097 1.00 0.00 H new ATOM 0 HD3 LYS A 20 4.272 11.880 -3.604 1.00 0.00 H new ATOM 0 HE2 LYS A 20 6.201 11.065 -5.853 1.00 0.00 H new ATOM 0 HE3 LYS A 20 6.692 11.921 -4.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 6.818 9.835 -3.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 5.138 9.993 -3.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 5.766 9.169 -4.699 1.00 0.00 H new ATOM 313 N TRP A 21 2.814 7.735 -5.596 1.00 0.00 N ATOM 314 CA TRP A 21 3.557 6.475 -5.302 1.00 0.00 C ATOM 315 C TRP A 21 5.016 6.862 -5.432 1.00 0.00 C ATOM 316 O TRP A 21 5.339 7.966 -5.828 1.00 0.00 O ATOM 317 CB TRP A 21 3.265 5.376 -6.319 1.00 0.00 C ATOM 318 CG TRP A 21 2.281 4.401 -5.696 1.00 0.00 C ATOM 319 CD1 TRP A 21 0.981 4.341 -6.072 1.00 0.00 C ATOM 320 CD2 TRP A 21 2.540 3.477 -4.724 1.00 0.00 C ATOM 321 NE1 TRP A 21 0.515 3.382 -5.314 1.00 0.00 N ATOM 322 CE2 TRP A 21 1.355 2.804 -4.479 1.00 0.00 C ATOM 323 CE3 TRP A 21 3.671 3.109 -3.985 1.00 0.00 C ATOM 324 CZ2 TRP A 21 1.280 1.800 -3.548 1.00 0.00 C ATOM 325 CZ3 TRP A 21 3.590 2.099 -3.048 1.00 0.00 C ATOM 326 CH2 TRP A 21 2.397 1.446 -2.831 1.00 0.00 C ATOM 0 H TRP A 21 2.987 8.114 -6.527 1.00 0.00 H new ATOM 0 HA TRP A 21 3.275 6.084 -4.324 1.00 0.00 H new ATOM 0 HB2 TRP A 21 2.850 5.803 -7.232 1.00 0.00 H new ATOM 0 HB3 TRP A 21 4.185 4.862 -6.597 1.00 0.00 H new ATOM 0 HD1 TRP A 21 0.461 4.934 -6.810 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -0.462 3.093 -5.367 1.00 0.00 H new ATOM 0 HE3 TRP A 21 4.610 3.617 -4.149 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 0.344 1.288 -3.379 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 4.466 1.819 -2.482 1.00 0.00 H new ATOM 0 HH2 TRP A 21 2.340 0.656 -2.097 1.00 0.00 H new ATOM 337 N PHE A 22 5.883 5.962 -5.094 1.00 0.00 N ATOM 338 CA PHE A 22 7.348 6.249 -5.182 1.00 0.00 C ATOM 339 C PHE A 22 8.052 5.072 -5.865 1.00 0.00 C ATOM 340 O PHE A 22 9.239 5.126 -6.090 1.00 0.00 O ATOM 341 CB PHE A 22 7.948 6.429 -3.752 1.00 0.00 C ATOM 342 CG PHE A 22 7.258 7.523 -2.859 1.00 0.00 C ATOM 343 CD1 PHE A 22 5.881 7.557 -2.596 1.00 0.00 C ATOM 344 CD2 PHE A 22 8.039 8.522 -2.295 1.00 0.00 C ATOM 345 CE1 PHE A 22 5.314 8.551 -1.810 1.00 0.00 C ATOM 346 CE2 PHE A 22 7.481 9.509 -1.510 1.00 0.00 C ATOM 347 CZ PHE A 22 6.121 9.525 -1.274 1.00 0.00 C ATOM 0 H PHE A 22 5.647 5.029 -4.756 1.00 0.00 H new ATOM 0 HA PHE A 22 7.495 7.164 -5.755 1.00 0.00 H new ATOM 0 HB2 PHE A 22 7.893 5.473 -3.231 1.00 0.00 H new ATOM 0 HB3 PHE A 22 9.005 6.679 -3.849 1.00 0.00 H new ATOM 0 HD1 PHE A 22 5.246 6.791 -3.015 1.00 0.00 H new ATOM 0 HD2 PHE A 22 9.104 8.527 -2.474 1.00 0.00 H new ATOM 0 HE1 PHE A 22 4.251 8.558 -1.622 1.00 0.00 H new ATOM 0 HE2 PHE A 22 8.111 10.273 -1.078 1.00 0.00 H new ATOM 0 HZ PHE A 22 5.690 10.306 -0.666 1.00 0.00 H new ATOM 357 N VAL A 23 7.315 4.056 -6.217 1.00 0.00 N ATOM 358 CA VAL A 23 7.928 2.857 -6.858 1.00 0.00 C ATOM 359 C VAL A 23 7.823 2.805 -8.379 1.00 0.00 C ATOM 360 O VAL A 23 7.140 3.612 -8.980 1.00 0.00 O ATOM 361 CB VAL A 23 7.256 1.647 -6.249 1.00 0.00 C ATOM 362 CG1 VAL A 23 7.254 1.841 -4.735 1.00 0.00 C ATOM 363 CG2 VAL A 23 5.825 1.444 -6.799 1.00 0.00 C ATOM 0 H VAL A 23 6.305 4.004 -6.087 1.00 0.00 H new ATOM 0 HA VAL A 23 9.001 2.892 -6.667 1.00 0.00 H new ATOM 0 HB VAL A 23 7.804 0.743 -6.514 1.00 0.00 H new ATOM 0 HG11 VAL A 23 6.776 0.985 -4.259 1.00 0.00 H new ATOM 0 HG12 VAL A 23 8.280 1.928 -4.378 1.00 0.00 H new ATOM 0 HG13 VAL A 23 6.705 2.749 -4.485 1.00 0.00 H new ATOM 0 HG21 VAL A 23 5.378 0.564 -6.335 1.00 0.00 H new ATOM 0 HG22 VAL A 23 5.220 2.321 -6.571 1.00 0.00 H new ATOM 0 HG23 VAL A 23 5.867 1.303 -7.879 1.00 0.00 H new ATOM 373 N LYS A 24 8.524 1.854 -8.922 1.00 0.00 N ATOM 374 CA LYS A 24 8.557 1.621 -10.398 1.00 0.00 C ATOM 375 C LYS A 24 8.518 0.111 -10.744 1.00 0.00 C ATOM 376 O LYS A 24 9.307 -0.332 -11.552 1.00 0.00 O ATOM 377 CB LYS A 24 9.865 2.260 -11.042 1.00 0.00 C ATOM 378 CG LYS A 24 9.831 3.823 -11.037 1.00 0.00 C ATOM 379 CD LYS A 24 10.361 4.406 -9.689 1.00 0.00 C ATOM 380 CE LYS A 24 9.832 5.837 -9.457 1.00 0.00 C ATOM 381 NZ LYS A 24 8.342 5.837 -9.539 1.00 0.00 N ATOM 0 H LYS A 24 9.098 1.202 -8.387 1.00 0.00 H new ATOM 0 HA LYS A 24 7.669 2.099 -10.811 1.00 0.00 H new ATOM 0 HB2 LYS A 24 10.742 1.917 -10.493 1.00 0.00 H new ATOM 0 HB3 LYS A 24 9.972 1.905 -12.067 1.00 0.00 H new ATOM 0 HG2 LYS A 24 10.435 4.203 -11.861 1.00 0.00 H new ATOM 0 HG3 LYS A 24 8.810 4.166 -11.206 1.00 0.00 H new ATOM 0 HD2 LYS A 24 10.053 3.763 -8.865 1.00 0.00 H new ATOM 0 HD3 LYS A 24 11.451 4.414 -9.696 1.00 0.00 H new ATOM 0 HE2 LYS A 24 10.153 6.201 -8.481 1.00 0.00 H new ATOM 0 HE3 LYS A 24 10.248 6.515 -10.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 8.042 6.332 -10.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 7.996 4.857 -9.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 7.949 6.322 -8.708 1.00 0.00 H new ATOM 395 N PRO A 25 7.636 -0.682 -10.180 1.00 0.00 N ATOM 396 CA PRO A 25 7.570 -1.158 -8.774 1.00 0.00 C ATOM 397 C PRO A 25 8.743 -0.869 -7.843 1.00 0.00 C ATOM 398 O PRO A 25 9.777 -0.362 -8.216 1.00 0.00 O ATOM 399 CB PRO A 25 7.260 -2.666 -8.968 1.00 0.00 C ATOM 400 CG PRO A 25 6.526 -2.748 -10.371 1.00 0.00 C ATOM 401 CD PRO A 25 6.515 -1.292 -10.930 1.00 0.00 C ATOM 0 HA PRO A 25 6.823 -0.596 -8.213 1.00 0.00 H new ATOM 0 HB2 PRO A 25 8.173 -3.262 -8.963 1.00 0.00 H new ATOM 0 HB3 PRO A 25 6.627 -3.046 -8.167 1.00 0.00 H new ATOM 0 HG2 PRO A 25 7.050 -3.423 -11.048 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.512 -3.132 -10.260 1.00 0.00 H new ATOM 0 HD2 PRO A 25 6.679 -1.265 -12.007 1.00 0.00 H new ATOM 0 HD3 PRO A 25 5.569 -0.786 -10.738 1.00 0.00 H new ATOM 409 N GLY A 26 8.553 -1.228 -6.608 1.00 0.00 N ATOM 410 CA GLY A 26 9.628 -0.989 -5.582 1.00 0.00 C ATOM 411 C GLY A 26 10.489 -2.226 -5.518 1.00 0.00 C ATOM 412 O GLY A 26 11.067 -2.540 -4.502 1.00 0.00 O ATOM 0 H GLY A 26 7.707 -1.676 -6.255 1.00 0.00 H new ATOM 0 HA2 GLY A 26 10.228 -0.120 -5.853 1.00 0.00 H new ATOM 0 HA3 GLY A 26 9.186 -0.780 -4.608 1.00 0.00 H new ATOM 416 N ASP A 27 10.493 -2.853 -6.664 1.00 0.00 N ATOM 417 CA ASP A 27 11.221 -4.090 -6.988 1.00 0.00 C ATOM 418 C ASP A 27 11.837 -4.715 -5.746 1.00 0.00 C ATOM 419 O ASP A 27 11.186 -5.581 -5.191 1.00 0.00 O ATOM 420 CB ASP A 27 12.214 -3.645 -8.047 1.00 0.00 C ATOM 421 CG ASP A 27 13.194 -4.763 -8.336 1.00 0.00 C ATOM 422 OD1 ASP A 27 12.759 -5.706 -8.967 1.00 0.00 O ATOM 423 OD2 ASP A 27 14.327 -4.708 -7.932 1.00 0.00 O ATOM 0 H ASP A 27 9.959 -2.505 -7.460 1.00 0.00 H new ATOM 0 HA ASP A 27 10.592 -4.896 -7.366 1.00 0.00 H new ATOM 0 HB2 ASP A 27 11.686 -3.367 -8.959 1.00 0.00 H new ATOM 0 HB3 ASP A 27 12.750 -2.759 -7.706 1.00 0.00 H new ATOM 428 N GLU A 28 13.006 -4.304 -5.343 1.00 0.00 N ATOM 429 CA GLU A 28 13.630 -4.891 -4.117 1.00 0.00 C ATOM 430 C GLU A 28 13.463 -3.845 -3.034 1.00 0.00 C ATOM 431 O GLU A 28 14.028 -2.770 -3.142 1.00 0.00 O ATOM 432 CB GLU A 28 15.127 -5.164 -4.350 1.00 0.00 C ATOM 433 CG GLU A 28 15.247 -6.188 -5.469 1.00 0.00 C ATOM 434 CD GLU A 28 16.088 -7.393 -5.112 1.00 0.00 C ATOM 435 OE1 GLU A 28 17.213 -7.183 -4.708 1.00 0.00 O ATOM 436 OE2 GLU A 28 15.477 -8.436 -5.306 1.00 0.00 O ATOM 0 H GLU A 28 13.560 -3.585 -5.808 1.00 0.00 H new ATOM 0 HA GLU A 28 13.164 -5.839 -3.849 1.00 0.00 H new ATOM 0 HB2 GLU A 28 15.645 -4.243 -4.618 1.00 0.00 H new ATOM 0 HB3 GLU A 28 15.593 -5.538 -3.439 1.00 0.00 H new ATOM 0 HG2 GLU A 28 14.249 -6.524 -5.748 1.00 0.00 H new ATOM 0 HG3 GLU A 28 15.677 -5.704 -6.346 1.00 0.00 H new ATOM 443 N VAL A 29 12.707 -4.172 -2.025 1.00 0.00 N ATOM 444 CA VAL A 29 12.501 -3.188 -0.943 1.00 0.00 C ATOM 445 C VAL A 29 13.235 -3.616 0.313 1.00 0.00 C ATOM 446 O VAL A 29 13.621 -4.748 0.541 1.00 0.00 O ATOM 447 CB VAL A 29 10.954 -3.057 -0.763 1.00 0.00 C ATOM 448 CG1 VAL A 29 10.250 -4.417 -0.503 1.00 0.00 C ATOM 449 CG2 VAL A 29 10.540 -2.006 0.288 1.00 0.00 C ATOM 0 H VAL A 29 12.231 -5.067 -1.908 1.00 0.00 H new ATOM 0 HA VAL A 29 12.916 -2.209 -1.182 1.00 0.00 H new ATOM 0 HB VAL A 29 10.601 -2.691 -1.727 1.00 0.00 H new ATOM 0 HG11 VAL A 29 9.178 -4.256 -0.387 1.00 0.00 H new ATOM 0 HG12 VAL A 29 10.427 -5.085 -1.346 1.00 0.00 H new ATOM 0 HG13 VAL A 29 10.650 -4.866 0.406 1.00 0.00 H new ATOM 0 HG21 VAL A 29 9.453 -1.971 0.359 1.00 0.00 H new ATOM 0 HG22 VAL A 29 10.958 -2.277 1.258 1.00 0.00 H new ATOM 0 HG23 VAL A 29 10.916 -1.027 -0.009 1.00 0.00 H new ATOM 459 N ASN A 30 13.378 -2.612 1.101 1.00 0.00 N ATOM 460 CA ASN A 30 14.046 -2.637 2.405 1.00 0.00 C ATOM 461 C ASN A 30 12.996 -2.763 3.492 1.00 0.00 C ATOM 462 O ASN A 30 11.860 -3.099 3.232 1.00 0.00 O ATOM 463 CB ASN A 30 14.816 -1.353 2.447 1.00 0.00 C ATOM 464 CG ASN A 30 13.841 -0.209 2.230 1.00 0.00 C ATOM 465 OD1 ASN A 30 12.719 -0.291 2.671 1.00 0.00 O ATOM 466 ND2 ASN A 30 14.206 0.842 1.561 1.00 0.00 N ATOM 0 H ASN A 30 13.021 -1.687 0.864 1.00 0.00 H new ATOM 0 HA ASN A 30 14.721 -3.479 2.559 1.00 0.00 H new ATOM 0 HB2 ASN A 30 15.322 -1.244 3.406 1.00 0.00 H new ATOM 0 HB3 ASN A 30 15.587 -1.347 1.677 1.00 0.00 H new ATOM 0 HD21 ASN A 30 13.545 1.603 1.406 1.00 0.00 H new ATOM 0 HD22 ASN A 30 15.154 0.907 1.191 1.00 0.00 H new ATOM 473 N GLU A 31 13.426 -2.474 4.676 1.00 0.00 N ATOM 474 CA GLU A 31 12.559 -2.551 5.865 1.00 0.00 C ATOM 475 C GLU A 31 12.684 -1.089 6.368 1.00 0.00 C ATOM 476 O GLU A 31 13.299 -0.850 7.392 1.00 0.00 O ATOM 477 CB GLU A 31 13.236 -3.678 6.747 1.00 0.00 C ATOM 478 CG GLU A 31 12.234 -4.550 7.602 1.00 0.00 C ATOM 479 CD GLU A 31 12.507 -6.046 7.449 1.00 0.00 C ATOM 480 OE1 GLU A 31 13.587 -6.400 7.039 1.00 0.00 O ATOM 481 OE2 GLU A 31 11.640 -6.849 7.747 1.00 0.00 O ATOM 0 H GLU A 31 14.381 -2.176 4.874 1.00 0.00 H new ATOM 0 HA GLU A 31 11.506 -2.823 5.793 1.00 0.00 H new ATOM 0 HB2 GLU A 31 13.802 -4.340 6.092 1.00 0.00 H new ATOM 0 HB3 GLU A 31 13.952 -3.209 7.422 1.00 0.00 H new ATOM 0 HG2 GLU A 31 12.316 -4.272 8.653 1.00 0.00 H new ATOM 0 HG3 GLU A 31 11.211 -4.334 7.294 1.00 0.00 H new ATOM 488 N ASP A 32 12.100 -0.179 5.611 1.00 0.00 N ATOM 489 CA ASP A 32 12.079 1.306 5.877 1.00 0.00 C ATOM 490 C ASP A 32 11.246 2.067 4.816 1.00 0.00 C ATOM 491 O ASP A 32 10.309 2.775 5.145 1.00 0.00 O ATOM 492 CB ASP A 32 13.550 1.879 5.907 1.00 0.00 C ATOM 493 CG ASP A 32 14.364 1.542 4.682 1.00 0.00 C ATOM 494 OD1 ASP A 32 14.324 2.317 3.748 1.00 0.00 O ATOM 495 OD2 ASP A 32 14.996 0.504 4.748 1.00 0.00 O ATOM 0 H ASP A 32 11.601 -0.429 4.757 1.00 0.00 H new ATOM 0 HA ASP A 32 11.609 1.456 6.849 1.00 0.00 H new ATOM 0 HB2 ASP A 32 13.505 2.963 6.014 1.00 0.00 H new ATOM 0 HB3 ASP A 32 14.062 1.493 6.788 1.00 0.00 H new ATOM 500 N ASP A 33 11.624 1.853 3.587 1.00 0.00 N ATOM 501 CA ASP A 33 11.067 2.402 2.302 1.00 0.00 C ATOM 502 C ASP A 33 10.188 3.644 2.332 1.00 0.00 C ATOM 503 O ASP A 33 10.496 4.586 3.040 1.00 0.00 O ATOM 504 CB ASP A 33 10.302 1.252 1.612 1.00 0.00 C ATOM 505 CG ASP A 33 10.228 1.498 0.111 1.00 0.00 C ATOM 506 OD1 ASP A 33 11.307 1.553 -0.444 1.00 0.00 O ATOM 507 OD2 ASP A 33 9.118 1.618 -0.381 1.00 0.00 O ATOM 0 H ASP A 33 12.409 1.230 3.400 1.00 0.00 H new ATOM 0 HA ASP A 33 11.944 2.769 1.769 1.00 0.00 H new ATOM 0 HB2 ASP A 33 10.802 0.303 1.809 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.296 1.174 2.025 1.00 0.00 H new ATOM 512 N VAL A 34 9.114 3.676 1.580 1.00 0.00 N ATOM 513 CA VAL A 34 8.268 4.854 1.574 1.00 0.00 C ATOM 514 C VAL A 34 6.942 4.636 2.104 1.00 0.00 C ATOM 515 O VAL A 34 6.453 3.546 2.289 1.00 0.00 O ATOM 516 CB VAL A 34 8.240 5.302 0.094 1.00 0.00 C ATOM 517 CG1 VAL A 34 6.869 5.474 -0.488 1.00 0.00 C ATOM 518 CG2 VAL A 34 9.250 6.429 -0.238 1.00 0.00 C ATOM 0 H VAL A 34 8.805 2.917 0.973 1.00 0.00 H new ATOM 0 HA VAL A 34 8.669 5.619 2.239 1.00 0.00 H new ATOM 0 HB VAL A 34 8.620 4.442 -0.458 1.00 0.00 H new ATOM 0 HG11 VAL A 34 6.952 5.789 -1.528 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.331 4.527 -0.438 1.00 0.00 H new ATOM 0 HG13 VAL A 34 6.326 6.231 0.078 1.00 0.00 H new ATOM 0 HG21 VAL A 34 9.171 6.689 -1.294 1.00 0.00 H new ATOM 0 HG22 VAL A 34 9.029 7.307 0.369 1.00 0.00 H new ATOM 0 HG23 VAL A 34 10.262 6.085 -0.024 1.00 0.00 H new ATOM 528 N LEU A 35 6.428 5.806 2.277 1.00 0.00 N ATOM 529 CA LEU A 35 5.121 5.963 2.787 1.00 0.00 C ATOM 530 C LEU A 35 4.438 6.420 1.555 1.00 0.00 C ATOM 531 O LEU A 35 4.711 7.417 0.923 1.00 0.00 O ATOM 532 CB LEU A 35 4.954 7.028 3.837 1.00 0.00 C ATOM 533 CG LEU A 35 6.023 8.196 3.944 1.00 0.00 C ATOM 534 CD1 LEU A 35 7.354 7.665 4.529 1.00 0.00 C ATOM 535 CD2 LEU A 35 6.268 8.994 2.636 1.00 0.00 C ATOM 0 H LEU A 35 6.909 6.680 2.066 1.00 0.00 H new ATOM 0 HA LEU A 35 4.768 5.059 3.282 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.980 7.491 3.680 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.918 6.529 4.805 1.00 0.00 H new ATOM 0 HG LEU A 35 5.581 8.921 4.628 1.00 0.00 H new ATOM 0 HD11 LEU A 35 8.074 8.481 4.594 1.00 0.00 H new ATOM 0 HD12 LEU A 35 7.177 7.257 5.524 1.00 0.00 H new ATOM 0 HD13 LEU A 35 7.750 6.883 3.881 1.00 0.00 H new ATOM 0 HD21 LEU A 35 7.014 9.768 2.816 1.00 0.00 H new ATOM 0 HD22 LEU A 35 6.626 8.318 1.859 1.00 0.00 H new ATOM 0 HD23 LEU A 35 5.336 9.457 2.313 1.00 0.00 H new ATOM 547 N CYS A 36 3.524 5.589 1.294 1.00 0.00 N ATOM 548 CA CYS A 36 2.655 5.775 0.112 1.00 0.00 C ATOM 549 C CYS A 36 1.820 6.919 0.643 1.00 0.00 C ATOM 550 O CYS A 36 1.596 7.044 1.837 1.00 0.00 O ATOM 551 CB CYS A 36 1.743 4.596 -0.145 1.00 0.00 C ATOM 552 SG CYS A 36 2.491 2.951 -0.162 1.00 0.00 S ATOM 0 H CYS A 36 3.320 4.760 1.852 1.00 0.00 H new ATOM 0 HA CYS A 36 3.196 5.917 -0.823 1.00 0.00 H new ATOM 0 HB2 CYS A 36 0.962 4.603 0.616 1.00 0.00 H new ATOM 0 HB3 CYS A 36 1.253 4.753 -1.106 1.00 0.00 H new ATOM 0 HG CYS A 36 2.530 2.505 -1.382 1.00 0.00 H new ATOM 558 N GLU A 37 1.377 7.679 -0.296 1.00 0.00 N ATOM 559 CA GLU A 37 0.559 8.863 0.009 1.00 0.00 C ATOM 560 C GLU A 37 -0.877 8.533 -0.331 1.00 0.00 C ATOM 561 O GLU A 37 -1.273 8.518 -1.483 1.00 0.00 O ATOM 562 CB GLU A 37 1.223 9.993 -0.822 1.00 0.00 C ATOM 563 CG GLU A 37 2.136 10.798 0.107 1.00 0.00 C ATOM 564 CD GLU A 37 2.892 11.798 -0.759 1.00 0.00 C ATOM 565 OE1 GLU A 37 3.775 11.338 -1.471 1.00 0.00 O ATOM 566 OE2 GLU A 37 2.540 12.956 -0.673 1.00 0.00 O ATOM 0 H GLU A 37 1.552 7.526 -1.289 1.00 0.00 H new ATOM 0 HA GLU A 37 0.522 9.181 1.051 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.797 9.571 -1.647 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.463 10.639 -1.261 1.00 0.00 H new ATOM 0 HG2 GLU A 37 1.551 11.314 0.869 1.00 0.00 H new ATOM 0 HG3 GLU A 37 2.830 10.140 0.629 1.00 0.00 H new ATOM 573 N VAL A 38 -1.606 8.271 0.714 1.00 0.00 N ATOM 574 CA VAL A 38 -3.042 7.918 0.607 1.00 0.00 C ATOM 575 C VAL A 38 -3.774 9.068 1.287 1.00 0.00 C ATOM 576 O VAL A 38 -3.275 9.636 2.239 1.00 0.00 O ATOM 577 CB VAL A 38 -3.245 6.568 1.342 1.00 0.00 C ATOM 578 CG1 VAL A 38 -4.693 6.050 1.189 1.00 0.00 C ATOM 579 CG2 VAL A 38 -2.259 5.511 0.765 1.00 0.00 C ATOM 0 H VAL A 38 -1.251 8.288 1.670 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.409 7.792 -0.412 1.00 0.00 H new ATOM 0 HB VAL A 38 -3.051 6.729 2.402 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -4.798 5.102 1.717 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -5.386 6.778 1.610 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -4.917 5.904 0.132 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.401 4.561 1.281 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.451 5.378 -0.300 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -1.234 5.853 0.909 1.00 0.00 H new ATOM 589 N GLN A 39 -4.930 9.388 0.797 1.00 0.00 N ATOM 590 CA GLN A 39 -5.717 10.495 1.390 1.00 0.00 C ATOM 591 C GLN A 39 -6.968 9.853 1.957 1.00 0.00 C ATOM 592 O GLN A 39 -7.406 8.811 1.500 1.00 0.00 O ATOM 593 CB GLN A 39 -5.984 11.489 0.244 1.00 0.00 C ATOM 594 CG GLN A 39 -6.860 12.691 0.660 1.00 0.00 C ATOM 595 CD GLN A 39 -6.623 13.822 -0.347 1.00 0.00 C ATOM 596 OE1 GLN A 39 -5.800 14.690 -0.136 1.00 0.00 O ATOM 597 NE2 GLN A 39 -7.289 13.867 -1.450 1.00 0.00 N ATOM 0 H GLN A 39 -5.370 8.925 0.001 1.00 0.00 H new ATOM 0 HA GLN A 39 -5.228 11.044 2.195 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -5.031 11.858 -0.135 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -6.471 10.962 -0.577 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -7.913 12.408 0.674 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -6.604 13.018 1.668 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -7.987 13.151 -1.654 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -7.118 14.618 -2.119 1.00 0.00 H new ATOM 606 N ASN A 40 -7.488 10.489 2.959 1.00 0.00 N ATOM 607 CA ASN A 40 -8.717 10.013 3.641 1.00 0.00 C ATOM 608 C ASN A 40 -9.536 11.244 3.972 1.00 0.00 C ATOM 609 O ASN A 40 -9.150 12.344 3.637 1.00 0.00 O ATOM 610 CB ASN A 40 -8.360 9.216 4.945 1.00 0.00 C ATOM 611 CG ASN A 40 -7.361 9.919 5.857 1.00 0.00 C ATOM 612 OD1 ASN A 40 -6.195 10.049 5.541 1.00 0.00 O ATOM 613 ND2 ASN A 40 -7.754 10.382 6.997 1.00 0.00 N ATOM 0 H ASN A 40 -7.100 11.348 3.348 1.00 0.00 H new ATOM 0 HA ASN A 40 -9.277 9.333 3.000 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -9.276 9.029 5.505 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -7.955 8.244 4.663 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -7.089 10.848 7.615 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -8.729 10.282 7.279 1.00 0.00 H new ATOM 620 N ASP A 41 -10.638 10.985 4.614 1.00 0.00 N ATOM 621 CA ASP A 41 -11.627 12.009 5.059 1.00 0.00 C ATOM 622 C ASP A 41 -11.230 13.473 4.891 1.00 0.00 C ATOM 623 O ASP A 41 -11.757 14.183 4.054 1.00 0.00 O ATOM 624 CB ASP A 41 -11.948 11.677 6.542 1.00 0.00 C ATOM 625 CG ASP A 41 -10.705 11.160 7.256 1.00 0.00 C ATOM 626 OD1 ASP A 41 -9.873 11.940 7.677 1.00 0.00 O ATOM 627 OD2 ASP A 41 -10.638 9.951 7.328 1.00 0.00 O ATOM 0 H ASP A 41 -10.911 10.035 4.866 1.00 0.00 H new ATOM 0 HA ASP A 41 -12.492 11.938 4.400 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -12.320 12.568 7.048 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -12.739 10.929 6.590 1.00 0.00 H new ATOM 632 N LYS A 42 -10.325 13.877 5.719 1.00 0.00 N ATOM 633 CA LYS A 42 -9.799 15.265 5.721 1.00 0.00 C ATOM 634 C LYS A 42 -8.278 15.228 5.884 1.00 0.00 C ATOM 635 O LYS A 42 -7.634 16.246 5.714 1.00 0.00 O ATOM 636 CB LYS A 42 -10.445 16.055 6.892 1.00 0.00 C ATOM 637 CG LYS A 42 -12.002 15.962 6.746 1.00 0.00 C ATOM 638 CD LYS A 42 -12.753 16.723 7.874 1.00 0.00 C ATOM 639 CE LYS A 42 -12.521 18.249 7.787 1.00 0.00 C ATOM 640 NZ LYS A 42 -12.908 18.751 6.428 1.00 0.00 N ATOM 0 H LYS A 42 -9.906 13.276 6.429 1.00 0.00 H new ATOM 0 HA LYS A 42 -10.044 15.758 4.780 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -10.128 15.642 7.850 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -10.123 17.096 6.871 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -12.298 16.369 5.779 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -12.303 14.914 6.757 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -13.820 16.513 7.807 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -12.417 16.359 8.845 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -13.107 18.758 8.552 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -11.473 18.477 7.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -13.010 19.786 6.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -12.171 18.495 5.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -13.811 18.322 6.144 1.00 0.00 H new ATOM 654 N ALA A 43 -7.737 14.086 6.221 1.00 0.00 N ATOM 655 CA ALA A 43 -6.263 13.960 6.405 1.00 0.00 C ATOM 656 C ALA A 43 -5.624 13.092 5.317 1.00 0.00 C ATOM 657 O ALA A 43 -6.301 12.584 4.447 1.00 0.00 O ATOM 658 CB ALA A 43 -6.044 13.351 7.767 1.00 0.00 C ATOM 0 H ALA A 43 -8.262 13.226 6.378 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.792 14.940 6.328 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -4.975 13.239 7.948 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -6.475 14.000 8.529 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.524 12.373 7.810 1.00 0.00 H new ATOM 664 N VAL A 44 -4.329 12.963 5.405 1.00 0.00 N ATOM 665 CA VAL A 44 -3.546 12.158 4.434 1.00 0.00 C ATOM 666 C VAL A 44 -2.658 11.256 5.310 1.00 0.00 C ATOM 667 O VAL A 44 -2.265 11.685 6.382 1.00 0.00 O ATOM 668 CB VAL A 44 -2.712 13.143 3.586 1.00 0.00 C ATOM 669 CG1 VAL A 44 -2.061 12.462 2.362 1.00 0.00 C ATOM 670 CG2 VAL A 44 -3.588 14.329 3.115 1.00 0.00 C ATOM 0 H VAL A 44 -3.766 13.398 6.136 1.00 0.00 H new ATOM 0 HA VAL A 44 -4.144 11.555 3.750 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.910 13.509 4.227 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.486 13.198 1.799 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.399 11.664 2.699 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.838 12.043 1.723 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.984 15.013 2.519 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -4.414 13.954 2.511 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.983 14.856 3.983 1.00 0.00 H new ATOM 680 N VAL A 45 -2.366 10.069 4.855 1.00 0.00 N ATOM 681 CA VAL A 45 -1.509 9.116 5.624 1.00 0.00 C ATOM 682 C VAL A 45 -0.267 8.736 4.838 1.00 0.00 C ATOM 683 O VAL A 45 -0.180 8.888 3.634 1.00 0.00 O ATOM 684 CB VAL A 45 -2.336 7.851 5.933 1.00 0.00 C ATOM 685 CG1 VAL A 45 -1.664 6.898 6.964 1.00 0.00 C ATOM 686 CG2 VAL A 45 -3.628 8.357 6.489 1.00 0.00 C ATOM 0 H VAL A 45 -2.693 9.709 3.959 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.186 9.596 6.547 1.00 0.00 H new ATOM 0 HB VAL A 45 -2.449 7.257 5.026 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -2.304 6.032 7.130 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -0.699 6.568 6.579 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -1.517 7.426 7.906 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.274 7.514 6.734 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -3.433 8.939 7.390 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.121 8.988 5.749 1.00 0.00 H new ATOM 696 N GLU A 46 0.634 8.238 5.626 1.00 0.00 N ATOM 697 CA GLU A 46 1.960 7.768 5.169 1.00 0.00 C ATOM 698 C GLU A 46 2.110 6.287 5.570 1.00 0.00 C ATOM 699 O GLU A 46 1.991 5.955 6.733 1.00 0.00 O ATOM 700 CB GLU A 46 2.966 8.704 5.845 1.00 0.00 C ATOM 701 CG GLU A 46 2.779 8.827 7.370 1.00 0.00 C ATOM 702 CD GLU A 46 3.901 9.726 7.897 1.00 0.00 C ATOM 703 OE1 GLU A 46 5.043 9.341 7.695 1.00 0.00 O ATOM 704 OE2 GLU A 46 3.534 10.737 8.463 1.00 0.00 O ATOM 0 H GLU A 46 0.492 8.133 6.631 1.00 0.00 H new ATOM 0 HA GLU A 46 2.112 7.802 4.090 1.00 0.00 H new ATOM 0 HB2 GLU A 46 3.975 8.346 5.640 1.00 0.00 H new ATOM 0 HB3 GLU A 46 2.883 9.695 5.398 1.00 0.00 H new ATOM 0 HG2 GLU A 46 1.803 9.253 7.604 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.820 7.845 7.842 1.00 0.00 H new ATOM 711 N ILE A 47 2.351 5.414 4.630 1.00 0.00 N ATOM 712 CA ILE A 47 2.500 3.981 4.925 1.00 0.00 C ATOM 713 C ILE A 47 3.974 3.548 4.593 1.00 0.00 C ATOM 714 O ILE A 47 4.149 3.056 3.497 1.00 0.00 O ATOM 715 CB ILE A 47 1.446 3.240 4.043 1.00 0.00 C ATOM 716 CG1 ILE A 47 -0.053 3.657 4.255 1.00 0.00 C ATOM 717 CG2 ILE A 47 1.535 1.783 4.340 1.00 0.00 C ATOM 718 CD1 ILE A 47 -0.331 5.079 3.785 1.00 0.00 C ATOM 0 H ILE A 47 2.452 5.653 3.644 1.00 0.00 H new ATOM 0 HA ILE A 47 2.327 3.740 5.974 1.00 0.00 H new ATOM 0 HB ILE A 47 1.697 3.511 3.018 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.700 2.966 3.715 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.306 3.570 5.312 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.807 1.243 3.735 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.538 1.425 4.107 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.326 1.614 5.396 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.381 5.319 3.953 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.294 5.776 4.343 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.106 5.161 2.722 1.00 0.00 H new ATOM 730 N PRO A 48 4.970 3.726 5.450 1.00 0.00 N ATOM 731 CA PRO A 48 6.395 3.259 5.204 1.00 0.00 C ATOM 732 C PRO A 48 6.319 1.710 5.104 1.00 0.00 C ATOM 733 O PRO A 48 5.267 1.099 5.018 1.00 0.00 O ATOM 734 CB PRO A 48 7.165 3.799 6.421 1.00 0.00 C ATOM 735 CG PRO A 48 6.100 3.709 7.511 1.00 0.00 C ATOM 736 CD PRO A 48 4.862 4.361 6.794 1.00 0.00 C ATOM 0 HA PRO A 48 6.891 3.604 4.297 1.00 0.00 H new ATOM 0 HB2 PRO A 48 8.043 3.196 6.653 1.00 0.00 H new ATOM 0 HB3 PRO A 48 7.512 4.821 6.268 1.00 0.00 H new ATOM 0 HG2 PRO A 48 5.905 2.679 7.810 1.00 0.00 H new ATOM 0 HG3 PRO A 48 6.387 4.254 8.411 1.00 0.00 H new ATOM 0 HD2 PRO A 48 3.921 4.124 7.291 1.00 0.00 H new ATOM 0 HD3 PRO A 48 4.933 5.448 6.747 1.00 0.00 H new ATOM 744 N SER A 49 7.462 1.121 5.157 1.00 0.00 N ATOM 745 CA SER A 49 7.589 -0.375 5.064 1.00 0.00 C ATOM 746 C SER A 49 7.983 -1.121 6.366 1.00 0.00 C ATOM 747 O SER A 49 9.139 -1.373 6.627 1.00 0.00 O ATOM 748 CB SER A 49 8.618 -0.687 3.983 1.00 0.00 C ATOM 749 OG SER A 49 9.706 0.141 4.350 1.00 0.00 O ATOM 0 H SER A 49 8.350 1.612 5.264 1.00 0.00 H new ATOM 0 HA SER A 49 6.588 -0.741 4.836 1.00 0.00 H new ATOM 0 HB2 SER A 49 8.894 -1.741 3.977 1.00 0.00 H new ATOM 0 HB3 SER A 49 8.245 -0.450 2.987 1.00 0.00 H new ATOM 0 HG SER A 49 9.720 0.251 5.324 1.00 0.00 H new ATOM 755 N PRO A 50 7.020 -1.462 7.183 1.00 0.00 N ATOM 756 CA PRO A 50 7.221 -2.473 8.257 1.00 0.00 C ATOM 757 C PRO A 50 8.228 -3.599 7.925 1.00 0.00 C ATOM 758 O PRO A 50 9.081 -3.890 8.737 1.00 0.00 O ATOM 759 CB PRO A 50 5.809 -2.955 8.523 1.00 0.00 C ATOM 760 CG PRO A 50 5.004 -1.615 8.407 1.00 0.00 C ATOM 761 CD PRO A 50 5.636 -0.914 7.166 1.00 0.00 C ATOM 0 HA PRO A 50 7.702 -2.048 9.138 1.00 0.00 H new ATOM 0 HB2 PRO A 50 5.483 -3.696 7.793 1.00 0.00 H new ATOM 0 HB3 PRO A 50 5.709 -3.412 9.508 1.00 0.00 H new ATOM 0 HG2 PRO A 50 3.939 -1.798 8.265 1.00 0.00 H new ATOM 0 HG3 PRO A 50 5.106 -1.007 9.306 1.00 0.00 H new ATOM 0 HD2 PRO A 50 5.109 -1.161 6.244 1.00 0.00 H new ATOM 0 HD3 PRO A 50 5.624 0.172 7.259 1.00 0.00 H new ATOM 769 N VAL A 51 8.090 -4.215 6.780 1.00 0.00 N ATOM 770 CA VAL A 51 9.013 -5.296 6.382 1.00 0.00 C ATOM 771 C VAL A 51 9.493 -5.082 4.957 1.00 0.00 C ATOM 772 O VAL A 51 8.925 -4.317 4.195 1.00 0.00 O ATOM 773 CB VAL A 51 8.271 -6.643 6.555 1.00 0.00 C ATOM 774 CG1 VAL A 51 6.745 -6.510 6.362 1.00 0.00 C ATOM 775 CG2 VAL A 51 8.744 -7.712 5.639 1.00 0.00 C ATOM 0 H VAL A 51 7.361 -4.004 6.098 1.00 0.00 H new ATOM 0 HA VAL A 51 9.903 -5.299 7.011 1.00 0.00 H new ATOM 0 HB VAL A 51 8.500 -6.928 7.582 1.00 0.00 H new ATOM 0 HG11 VAL A 51 6.275 -7.485 6.495 1.00 0.00 H new ATOM 0 HG12 VAL A 51 6.345 -5.811 7.097 1.00 0.00 H new ATOM 0 HG13 VAL A 51 6.536 -6.140 5.358 1.00 0.00 H new ATOM 0 HG21 VAL A 51 8.176 -8.625 5.821 1.00 0.00 H new ATOM 0 HG22 VAL A 51 8.601 -7.395 4.606 1.00 0.00 H new ATOM 0 HG23 VAL A 51 9.802 -7.902 5.817 1.00 0.00 H new ATOM 785 N LYS A 52 10.525 -5.834 4.734 1.00 0.00 N ATOM 786 CA LYS A 52 11.250 -5.883 3.435 1.00 0.00 C ATOM 787 C LYS A 52 10.862 -7.130 2.669 1.00 0.00 C ATOM 788 O LYS A 52 10.181 -8.005 3.167 1.00 0.00 O ATOM 789 CB LYS A 52 12.794 -5.875 3.694 1.00 0.00 C ATOM 790 CG LYS A 52 13.542 -7.247 3.962 1.00 0.00 C ATOM 791 CD LYS A 52 12.708 -8.169 4.898 1.00 0.00 C ATOM 792 CE LYS A 52 13.575 -8.836 6.026 1.00 0.00 C ATOM 793 NZ LYS A 52 12.741 -8.973 7.263 1.00 0.00 N ATOM 0 H LYS A 52 10.920 -6.454 5.441 1.00 0.00 H new ATOM 0 HA LYS A 52 10.980 -5.009 2.843 1.00 0.00 H new ATOM 0 HB2 LYS A 52 13.268 -5.406 2.832 1.00 0.00 H new ATOM 0 HB3 LYS A 52 12.979 -5.228 4.551 1.00 0.00 H new ATOM 0 HG2 LYS A 52 13.725 -7.755 3.015 1.00 0.00 H new ATOM 0 HG3 LYS A 52 14.515 -7.052 4.412 1.00 0.00 H new ATOM 0 HD2 LYS A 52 11.909 -7.586 5.357 1.00 0.00 H new ATOM 0 HD3 LYS A 52 12.232 -8.949 4.303 1.00 0.00 H new ATOM 0 HE2 LYS A 52 13.929 -9.814 5.700 1.00 0.00 H new ATOM 0 HE3 LYS A 52 14.457 -8.230 6.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 13.345 -8.865 8.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 12.005 -8.238 7.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 12.293 -9.911 7.277 1.00 0.00 H new ATOM 807 N GLY A 53 11.350 -7.169 1.471 1.00 0.00 N ATOM 808 CA GLY A 53 11.077 -8.313 0.556 1.00 0.00 C ATOM 809 C GLY A 53 11.095 -7.709 -0.849 1.00 0.00 C ATOM 810 O GLY A 53 11.968 -6.901 -1.121 1.00 0.00 O ATOM 0 H GLY A 53 11.942 -6.441 1.072 1.00 0.00 H new ATOM 0 HA2 GLY A 53 11.833 -9.091 0.661 1.00 0.00 H new ATOM 0 HA3 GLY A 53 10.113 -8.773 0.776 1.00 0.00 H new ATOM 814 N LYS A 54 10.177 -8.070 -1.696 1.00 0.00 N ATOM 815 CA LYS A 54 10.124 -7.533 -3.089 1.00 0.00 C ATOM 816 C LYS A 54 8.849 -6.697 -3.096 1.00 0.00 C ATOM 817 O LYS A 54 8.061 -6.679 -2.168 1.00 0.00 O ATOM 818 CB LYS A 54 10.027 -8.738 -4.104 1.00 0.00 C ATOM 819 CG LYS A 54 10.387 -8.465 -5.589 1.00 0.00 C ATOM 820 CD LYS A 54 11.933 -8.302 -5.759 1.00 0.00 C ATOM 821 CE LYS A 54 12.269 -7.859 -7.217 1.00 0.00 C ATOM 822 NZ LYS A 54 13.733 -7.629 -7.441 1.00 0.00 N ATOM 0 H LYS A 54 9.436 -8.736 -1.477 1.00 0.00 H new ATOM 0 HA LYS A 54 10.999 -6.950 -3.378 1.00 0.00 H new ATOM 0 HB2 LYS A 54 10.678 -9.534 -3.742 1.00 0.00 H new ATOM 0 HB3 LYS A 54 9.007 -9.122 -4.072 1.00 0.00 H new ATOM 0 HG2 LYS A 54 10.032 -9.286 -6.212 1.00 0.00 H new ATOM 0 HG3 LYS A 54 9.881 -7.563 -5.932 1.00 0.00 H new ATOM 0 HD2 LYS A 54 12.309 -7.564 -5.051 1.00 0.00 H new ATOM 0 HD3 LYS A 54 12.433 -9.244 -5.533 1.00 0.00 H new ATOM 0 HE2 LYS A 54 11.917 -8.621 -7.912 1.00 0.00 H new ATOM 0 HE3 LYS A 54 11.725 -6.943 -7.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 14.061 -8.221 -8.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 13.896 -6.627 -7.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 14.259 -7.879 -6.580 1.00 0.00 H new ATOM 836 N VAL A 55 8.688 -6.025 -4.186 1.00 0.00 N ATOM 837 CA VAL A 55 7.512 -5.155 -4.401 1.00 0.00 C ATOM 838 C VAL A 55 7.083 -5.735 -5.732 1.00 0.00 C ATOM 839 O VAL A 55 7.207 -5.122 -6.773 1.00 0.00 O ATOM 840 CB VAL A 55 7.933 -3.718 -4.518 1.00 0.00 C ATOM 841 CG1 VAL A 55 6.622 -2.938 -4.674 1.00 0.00 C ATOM 842 CG2 VAL A 55 8.532 -3.392 -3.160 1.00 0.00 C ATOM 0 H VAL A 55 9.345 -6.042 -4.966 1.00 0.00 H new ATOM 0 HA VAL A 55 6.751 -5.141 -3.621 1.00 0.00 H new ATOM 0 HB VAL A 55 8.626 -3.500 -5.331 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.840 -1.874 -4.766 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.099 -3.280 -5.567 1.00 0.00 H new ATOM 0 HG13 VAL A 55 5.993 -3.105 -3.799 1.00 0.00 H new ATOM 0 HG21 VAL A 55 8.870 -2.356 -3.151 1.00 0.00 H new ATOM 0 HG22 VAL A 55 7.778 -3.535 -2.386 1.00 0.00 H new ATOM 0 HG23 VAL A 55 9.379 -4.051 -2.968 1.00 0.00 H new ATOM 852 N LEU A 56 6.605 -6.941 -5.599 1.00 0.00 N ATOM 853 CA LEU A 56 6.115 -7.732 -6.762 1.00 0.00 C ATOM 854 C LEU A 56 5.367 -6.906 -7.814 1.00 0.00 C ATOM 855 O LEU A 56 5.920 -6.555 -8.838 1.00 0.00 O ATOM 856 CB LEU A 56 5.190 -8.867 -6.236 1.00 0.00 C ATOM 857 CG LEU A 56 5.933 -9.752 -5.194 1.00 0.00 C ATOM 858 CD1 LEU A 56 4.950 -10.798 -4.639 1.00 0.00 C ATOM 859 CD2 LEU A 56 7.147 -10.469 -5.825 1.00 0.00 C ATOM 0 H LEU A 56 6.532 -7.425 -4.704 1.00 0.00 H new ATOM 0 HA LEU A 56 6.995 -8.130 -7.267 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.299 -8.434 -5.782 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.855 -9.484 -7.070 1.00 0.00 H new ATOM 0 HG LEU A 56 6.302 -9.110 -4.394 1.00 0.00 H new ATOM 0 HD11 LEU A 56 5.460 -11.424 -3.907 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.111 -10.292 -4.161 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.581 -11.420 -5.455 1.00 0.00 H new ATOM 0 HD21 LEU A 56 7.643 -11.078 -5.069 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.809 -11.107 -6.641 1.00 0.00 H new ATOM 0 HD23 LEU A 56 7.847 -9.728 -6.210 1.00 0.00 H new ATOM 871 N GLU A 57 4.131 -6.621 -7.522 1.00 0.00 N ATOM 872 CA GLU A 57 3.291 -5.835 -8.457 1.00 0.00 C ATOM 873 C GLU A 57 2.359 -4.887 -7.717 1.00 0.00 C ATOM 874 O GLU A 57 2.184 -4.986 -6.514 1.00 0.00 O ATOM 875 CB GLU A 57 2.501 -6.843 -9.297 1.00 0.00 C ATOM 876 CG GLU A 57 1.834 -7.899 -8.366 1.00 0.00 C ATOM 877 CD GLU A 57 1.245 -8.998 -9.240 1.00 0.00 C ATOM 878 OE1 GLU A 57 2.058 -9.667 -9.851 1.00 0.00 O ATOM 879 OE2 GLU A 57 0.034 -9.093 -9.238 1.00 0.00 O ATOM 0 H GLU A 57 3.663 -6.905 -6.662 1.00 0.00 H new ATOM 0 HA GLU A 57 3.916 -5.206 -9.090 1.00 0.00 H new ATOM 0 HB2 GLU A 57 1.739 -6.326 -9.880 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.164 -7.338 -10.007 1.00 0.00 H new ATOM 0 HG2 GLU A 57 2.568 -8.315 -7.675 1.00 0.00 H new ATOM 0 HG3 GLU A 57 1.055 -7.435 -7.762 1.00 0.00 H new ATOM 886 N ILE A 58 1.792 -4.001 -8.480 1.00 0.00 N ATOM 887 CA ILE A 58 0.844 -2.992 -7.975 1.00 0.00 C ATOM 888 C ILE A 58 -0.262 -3.199 -9.015 1.00 0.00 C ATOM 889 O ILE A 58 0.046 -3.400 -10.177 1.00 0.00 O ATOM 890 CB ILE A 58 1.459 -1.586 -8.089 1.00 0.00 C ATOM 891 CG1 ILE A 58 2.892 -1.523 -7.478 1.00 0.00 C ATOM 892 CG2 ILE A 58 0.578 -0.570 -7.345 1.00 0.00 C ATOM 893 CD1 ILE A 58 3.957 -1.871 -8.537 1.00 0.00 C ATOM 0 H ILE A 58 1.961 -3.939 -9.484 1.00 0.00 H new ATOM 0 HA ILE A 58 0.538 -3.081 -6.933 1.00 0.00 H new ATOM 0 HB ILE A 58 1.519 -1.349 -9.151 1.00 0.00 H new ATOM 0 HG12 ILE A 58 3.079 -0.525 -7.082 1.00 0.00 H new ATOM 0 HG13 ILE A 58 2.966 -2.217 -6.641 1.00 0.00 H new ATOM 0 HG21 ILE A 58 1.018 0.424 -7.429 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.420 -0.563 -7.784 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.510 -0.849 -6.293 1.00 0.00 H new ATOM 0 HD11 ILE A 58 4.948 -1.820 -8.087 1.00 0.00 H new ATOM 0 HD12 ILE A 58 3.781 -2.879 -8.913 1.00 0.00 H new ATOM 0 HD13 ILE A 58 3.896 -1.160 -9.361 1.00 0.00 H new ATOM 905 N LEU A 59 -1.487 -3.139 -8.594 1.00 0.00 N ATOM 906 CA LEU A 59 -2.616 -3.332 -9.532 1.00 0.00 C ATOM 907 C LEU A 59 -3.265 -1.992 -9.873 1.00 0.00 C ATOM 908 O LEU A 59 -3.325 -1.592 -11.018 1.00 0.00 O ATOM 909 CB LEU A 59 -3.649 -4.268 -8.871 1.00 0.00 C ATOM 910 CG LEU A 59 -3.052 -5.694 -8.608 1.00 0.00 C ATOM 911 CD1 LEU A 59 -2.194 -5.750 -7.320 1.00 0.00 C ATOM 912 CD2 LEU A 59 -4.210 -6.710 -8.429 1.00 0.00 C ATOM 0 H LEU A 59 -1.757 -2.962 -7.627 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.250 -3.775 -10.458 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -3.984 -3.834 -7.929 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -4.526 -4.353 -9.512 1.00 0.00 H new ATOM 0 HG LEU A 59 -2.422 -5.934 -9.465 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -1.805 -6.759 -7.185 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -1.363 -5.049 -7.405 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.809 -5.481 -6.461 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.798 -7.702 -8.246 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.828 -6.412 -7.582 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.819 -6.731 -9.333 1.00 0.00 H new ATOM 924 N VAL A 60 -3.733 -1.322 -8.861 1.00 0.00 N ATOM 925 CA VAL A 60 -4.398 0.000 -9.051 1.00 0.00 C ATOM 926 C VAL A 60 -3.477 1.044 -8.376 1.00 0.00 C ATOM 927 O VAL A 60 -3.792 1.496 -7.299 1.00 0.00 O ATOM 928 CB VAL A 60 -5.817 -0.094 -8.381 1.00 0.00 C ATOM 929 CG1 VAL A 60 -6.642 1.168 -8.681 1.00 0.00 C ATOM 930 CG2 VAL A 60 -6.590 -1.341 -8.906 1.00 0.00 C ATOM 0 H VAL A 60 -3.683 -1.638 -7.892 1.00 0.00 H new ATOM 0 HA VAL A 60 -4.544 0.285 -10.093 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.671 -0.184 -7.305 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -7.621 1.084 -8.209 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -6.124 2.043 -8.289 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -6.767 1.273 -9.759 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -7.570 -1.389 -8.431 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.714 -1.264 -9.986 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.028 -2.244 -8.669 1.00 0.00 H new ATOM 940 N PRO A 61 -2.376 1.395 -9.003 1.00 0.00 N ATOM 941 CA PRO A 61 -1.286 2.183 -8.349 1.00 0.00 C ATOM 942 C PRO A 61 -1.748 3.453 -7.609 1.00 0.00 C ATOM 943 O PRO A 61 -1.927 3.434 -6.406 1.00 0.00 O ATOM 944 CB PRO A 61 -0.294 2.460 -9.514 1.00 0.00 C ATOM 945 CG PRO A 61 -1.185 2.305 -10.785 1.00 0.00 C ATOM 946 CD PRO A 61 -2.060 1.097 -10.435 1.00 0.00 C ATOM 0 HA PRO A 61 -0.831 1.630 -7.527 1.00 0.00 H new ATOM 0 HB2 PRO A 61 0.139 3.458 -9.445 1.00 0.00 H new ATOM 0 HB3 PRO A 61 0.535 1.752 -9.514 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -1.782 3.197 -10.973 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -0.588 2.127 -11.679 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -2.955 1.040 -11.054 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -1.530 0.152 -10.555 1.00 0.00 H new ATOM 954 N GLU A 62 -1.901 4.502 -8.351 1.00 0.00 N ATOM 955 CA GLU A 62 -2.342 5.813 -7.819 1.00 0.00 C ATOM 956 C GLU A 62 -3.394 6.333 -8.769 1.00 0.00 C ATOM 957 O GLU A 62 -3.764 5.692 -9.735 1.00 0.00 O ATOM 958 CB GLU A 62 -1.105 6.771 -7.740 1.00 0.00 C ATOM 959 CG GLU A 62 -0.047 6.480 -8.852 1.00 0.00 C ATOM 960 CD GLU A 62 -0.758 6.487 -10.197 1.00 0.00 C ATOM 961 OE1 GLU A 62 -1.267 7.539 -10.531 1.00 0.00 O ATOM 962 OE2 GLU A 62 -0.748 5.424 -10.783 1.00 0.00 O ATOM 0 H GLU A 62 -1.730 4.504 -9.356 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.760 5.737 -6.815 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.444 7.803 -7.827 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.635 6.671 -6.762 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.740 7.233 -8.834 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.431 5.516 -8.679 1.00 0.00 H new ATOM 969 N GLY A 63 -3.882 7.484 -8.439 1.00 0.00 N ATOM 970 CA GLY A 63 -4.913 8.118 -9.308 1.00 0.00 C ATOM 971 C GLY A 63 -6.303 7.524 -9.165 1.00 0.00 C ATOM 972 O GLY A 63 -7.283 8.241 -9.193 1.00 0.00 O ATOM 0 H GLY A 63 -3.618 8.017 -7.611 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -4.960 9.182 -9.078 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -4.598 8.030 -10.348 1.00 0.00 H new ATOM 976 N THR A 64 -6.368 6.233 -9.015 1.00 0.00 N ATOM 977 CA THR A 64 -7.693 5.574 -8.874 1.00 0.00 C ATOM 978 C THR A 64 -7.841 5.249 -7.374 1.00 0.00 C ATOM 979 O THR A 64 -6.930 5.493 -6.604 1.00 0.00 O ATOM 980 CB THR A 64 -7.677 4.302 -9.766 1.00 0.00 C ATOM 981 OG1 THR A 64 -6.940 4.635 -10.942 1.00 0.00 O ATOM 982 CG2 THR A 64 -9.070 3.971 -10.352 1.00 0.00 C ATOM 0 H THR A 64 -5.563 5.607 -8.984 1.00 0.00 H new ATOM 0 HA THR A 64 -8.536 6.187 -9.192 1.00 0.00 H new ATOM 0 HB THR A 64 -7.293 3.486 -9.154 1.00 0.00 H new ATOM 0 HG1 THR A 64 -6.903 3.857 -11.536 1.00 0.00 H new ATOM 0 HG21 THR A 64 -9.002 3.074 -10.967 1.00 0.00 H new ATOM 0 HG22 THR A 64 -9.776 3.801 -9.539 1.00 0.00 H new ATOM 0 HG23 THR A 64 -9.415 4.805 -10.964 1.00 0.00 H new ATOM 990 N VAL A 65 -8.967 4.711 -6.999 1.00 0.00 N ATOM 991 CA VAL A 65 -9.218 4.363 -5.573 1.00 0.00 C ATOM 992 C VAL A 65 -9.414 2.846 -5.520 1.00 0.00 C ATOM 993 O VAL A 65 -9.899 2.262 -6.473 1.00 0.00 O ATOM 994 CB VAL A 65 -10.492 5.128 -5.129 1.00 0.00 C ATOM 995 CG1 VAL A 65 -10.816 4.932 -3.624 1.00 0.00 C ATOM 996 CG2 VAL A 65 -10.328 6.644 -5.433 1.00 0.00 C ATOM 0 H VAL A 65 -9.737 4.494 -7.631 1.00 0.00 H new ATOM 0 HA VAL A 65 -8.401 4.639 -4.907 1.00 0.00 H new ATOM 0 HB VAL A 65 -11.326 4.715 -5.696 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -11.717 5.490 -3.370 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -10.976 3.873 -3.421 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -9.983 5.295 -3.022 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -11.225 7.177 -5.119 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -9.467 7.033 -4.890 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -10.177 6.786 -6.503 1.00 0.00 H new ATOM 1006 N ALA A 66 -9.031 2.268 -4.420 1.00 0.00 N ATOM 1007 CA ALA A 66 -9.148 0.808 -4.188 1.00 0.00 C ATOM 1008 C ALA A 66 -9.998 0.629 -2.947 1.00 0.00 C ATOM 1009 O ALA A 66 -10.231 1.568 -2.214 1.00 0.00 O ATOM 1010 CB ALA A 66 -7.762 0.280 -3.969 1.00 0.00 C ATOM 0 H ALA A 66 -8.622 2.776 -3.636 1.00 0.00 H new ATOM 0 HA ALA A 66 -9.605 0.277 -5.023 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -7.806 -0.795 -3.794 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -7.153 0.480 -4.851 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -7.318 0.771 -3.103 1.00 0.00 H new ATOM 1016 N THR A 67 -10.433 -0.568 -2.738 1.00 0.00 N ATOM 1017 CA THR A 67 -11.271 -0.875 -1.557 1.00 0.00 C ATOM 1018 C THR A 67 -10.456 -1.885 -0.753 1.00 0.00 C ATOM 1019 O THR A 67 -9.241 -1.943 -0.837 1.00 0.00 O ATOM 1020 CB THR A 67 -12.644 -1.384 -2.151 1.00 0.00 C ATOM 1021 OG1 THR A 67 -13.490 -1.626 -1.036 1.00 0.00 O ATOM 1022 CG2 THR A 67 -12.549 -2.732 -2.899 1.00 0.00 C ATOM 0 H THR A 67 -10.241 -1.365 -3.346 1.00 0.00 H new ATOM 0 HA THR A 67 -11.514 -0.059 -0.877 1.00 0.00 H new ATOM 0 HB THR A 67 -12.994 -0.631 -2.857 1.00 0.00 H new ATOM 0 HG1 THR A 67 -14.362 -1.945 -1.350 1.00 0.00 H new ATOM 0 HG21 THR A 67 -13.534 -3.010 -3.275 1.00 0.00 H new ATOM 0 HG22 THR A 67 -11.855 -2.637 -3.734 1.00 0.00 H new ATOM 0 HG23 THR A 67 -12.191 -3.503 -2.216 1.00 0.00 H new ATOM 1030 N VAL A 68 -11.177 -2.631 0.005 1.00 0.00 N ATOM 1031 CA VAL A 68 -10.636 -3.701 0.871 1.00 0.00 C ATOM 1032 C VAL A 68 -11.414 -4.864 0.250 1.00 0.00 C ATOM 1033 O VAL A 68 -12.497 -4.699 -0.273 1.00 0.00 O ATOM 1034 CB VAL A 68 -11.069 -3.551 2.283 1.00 0.00 C ATOM 1035 CG1 VAL A 68 -10.584 -4.768 3.130 1.00 0.00 C ATOM 1036 CG2 VAL A 68 -10.376 -2.344 2.738 1.00 0.00 C ATOM 0 H VAL A 68 -12.191 -2.538 0.066 1.00 0.00 H new ATOM 0 HA VAL A 68 -9.548 -3.761 0.908 1.00 0.00 H new ATOM 0 HB VAL A 68 -12.153 -3.494 2.381 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -10.909 -4.645 4.163 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -11.008 -5.686 2.724 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -9.496 -4.825 3.096 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -10.633 -2.147 3.779 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.299 -2.488 2.651 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -10.679 -1.497 2.123 1.00 0.00 H new ATOM 1046 N GLY A 69 -10.852 -6.031 0.311 1.00 0.00 N ATOM 1047 CA GLY A 69 -11.549 -7.210 -0.287 1.00 0.00 C ATOM 1048 C GLY A 69 -10.718 -7.385 -1.559 1.00 0.00 C ATOM 1049 O GLY A 69 -10.416 -8.473 -1.998 1.00 0.00 O ATOM 0 H GLY A 69 -9.949 -6.226 0.743 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -11.514 -8.088 0.359 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.600 -7.011 -0.498 1.00 0.00 H new ATOM 1053 N GLN A 70 -10.381 -6.245 -2.096 1.00 0.00 N ATOM 1054 CA GLN A 70 -9.571 -6.101 -3.322 1.00 0.00 C ATOM 1055 C GLN A 70 -8.211 -5.793 -2.704 1.00 0.00 C ATOM 1056 O GLN A 70 -8.103 -5.457 -1.535 1.00 0.00 O ATOM 1057 CB GLN A 70 -10.064 -4.891 -4.115 1.00 0.00 C ATOM 1058 CG GLN A 70 -9.592 -4.926 -5.576 1.00 0.00 C ATOM 1059 CD GLN A 70 -10.096 -3.651 -6.251 1.00 0.00 C ATOM 1060 OE1 GLN A 70 -11.235 -3.267 -6.092 1.00 0.00 O ATOM 1061 NE2 GLN A 70 -9.310 -2.954 -7.008 1.00 0.00 N ATOM 0 H GLN A 70 -10.661 -5.349 -1.696 1.00 0.00 H new ATOM 0 HA GLN A 70 -9.590 -6.952 -4.003 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -11.153 -4.859 -4.087 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -9.706 -3.977 -3.641 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -8.505 -4.983 -5.627 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -9.981 -5.808 -6.084 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -8.347 -3.255 -7.158 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -9.654 -2.104 -7.454 1.00 0.00 H new ATOM 1070 N THR A 71 -7.214 -5.918 -3.507 1.00 0.00 N ATOM 1071 CA THR A 71 -5.846 -5.645 -3.048 1.00 0.00 C ATOM 1072 C THR A 71 -5.482 -4.320 -3.739 1.00 0.00 C ATOM 1073 O THR A 71 -6.280 -3.699 -4.419 1.00 0.00 O ATOM 1074 CB THR A 71 -4.979 -6.807 -3.519 1.00 0.00 C ATOM 1075 OG1 THR A 71 -5.845 -7.937 -3.604 1.00 0.00 O ATOM 1076 CG2 THR A 71 -3.891 -7.214 -2.501 1.00 0.00 C ATOM 0 H THR A 71 -7.291 -6.204 -4.483 1.00 0.00 H new ATOM 0 HA THR A 71 -5.719 -5.558 -1.969 1.00 0.00 H new ATOM 0 HB THR A 71 -4.496 -6.507 -4.449 1.00 0.00 H new ATOM 0 HG1 THR A 71 -5.335 -8.718 -3.906 1.00 0.00 H new ATOM 0 HG21 THR A 71 -3.312 -8.046 -2.901 1.00 0.00 H new ATOM 0 HG22 THR A 71 -3.230 -6.367 -2.317 1.00 0.00 H new ATOM 0 HG23 THR A 71 -4.362 -7.516 -1.566 1.00 0.00 H new ATOM 1084 N LEU A 72 -4.257 -3.946 -3.531 1.00 0.00 N ATOM 1085 CA LEU A 72 -3.695 -2.691 -4.109 1.00 0.00 C ATOM 1086 C LEU A 72 -2.336 -3.116 -4.635 1.00 0.00 C ATOM 1087 O LEU A 72 -2.060 -3.140 -5.817 1.00 0.00 O ATOM 1088 CB LEU A 72 -3.532 -1.598 -3.001 1.00 0.00 C ATOM 1089 CG LEU A 72 -2.680 -0.408 -3.546 1.00 0.00 C ATOM 1090 CD1 LEU A 72 -3.383 0.245 -4.748 1.00 0.00 C ATOM 1091 CD2 LEU A 72 -2.471 0.653 -2.450 1.00 0.00 C ATOM 0 H LEU A 72 -3.595 -4.475 -2.964 1.00 0.00 H new ATOM 0 HA LEU A 72 -4.334 -2.257 -4.878 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -4.512 -1.240 -2.685 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -3.051 -2.028 -2.122 1.00 0.00 H new ATOM 0 HG LEU A 72 -1.712 -0.801 -3.858 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.778 1.073 -5.118 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.511 -0.493 -5.540 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -4.359 0.619 -4.440 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -1.875 1.475 -2.848 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.439 1.032 -2.122 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -1.951 0.204 -1.604 1.00 0.00 H new ATOM 1103 N ILE A 73 -1.533 -3.438 -3.668 1.00 0.00 N ATOM 1104 CA ILE A 73 -0.138 -3.896 -3.866 1.00 0.00 C ATOM 1105 C ILE A 73 -0.033 -5.090 -2.926 1.00 0.00 C ATOM 1106 O ILE A 73 -0.892 -5.269 -2.070 1.00 0.00 O ATOM 1107 CB ILE A 73 0.796 -2.704 -3.470 1.00 0.00 C ATOM 1108 CG1 ILE A 73 2.293 -3.093 -3.623 1.00 0.00 C ATOM 1109 CG2 ILE A 73 0.483 -2.221 -2.014 1.00 0.00 C ATOM 1110 CD1 ILE A 73 3.188 -1.879 -3.306 1.00 0.00 C ATOM 0 H ILE A 73 -1.808 -3.398 -2.687 1.00 0.00 H new ATOM 0 HA ILE A 73 0.141 -4.186 -4.879 1.00 0.00 H new ATOM 0 HB ILE A 73 0.600 -1.876 -4.151 1.00 0.00 H new ATOM 0 HG12 ILE A 73 2.533 -3.918 -2.952 1.00 0.00 H new ATOM 0 HG13 ILE A 73 2.485 -3.442 -4.638 1.00 0.00 H new ATOM 0 HG21 ILE A 73 1.142 -1.392 -1.756 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -0.554 -1.892 -1.955 1.00 0.00 H new ATOM 0 HG23 ILE A 73 0.643 -3.043 -1.316 1.00 0.00 H new ATOM 0 HD11 ILE A 73 4.235 -2.161 -3.416 1.00 0.00 H new ATOM 0 HD12 ILE A 73 2.957 -1.067 -3.995 1.00 0.00 H new ATOM 0 HD13 ILE A 73 3.006 -1.550 -2.283 1.00 0.00 H new ATOM 1122 N THR A 74 0.991 -5.851 -3.134 1.00 0.00 N ATOM 1123 CA THR A 74 1.232 -7.040 -2.291 1.00 0.00 C ATOM 1124 C THR A 74 2.726 -6.990 -2.029 1.00 0.00 C ATOM 1125 O THR A 74 3.482 -6.334 -2.727 1.00 0.00 O ATOM 1126 CB THR A 74 0.779 -8.295 -3.072 1.00 0.00 C ATOM 1127 OG1 THR A 74 1.233 -9.376 -2.261 1.00 0.00 O ATOM 1128 CG2 THR A 74 1.519 -8.457 -4.414 1.00 0.00 C ATOM 0 H THR A 74 1.684 -5.697 -3.866 1.00 0.00 H new ATOM 0 HA THR A 74 0.682 -7.067 -1.350 1.00 0.00 H new ATOM 0 HB THR A 74 -0.291 -8.244 -3.271 1.00 0.00 H new ATOM 0 HG1 THR A 74 0.834 -9.306 -1.369 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.162 -9.354 -4.920 1.00 0.00 H new ATOM 0 HG22 THR A 74 1.329 -7.586 -5.042 1.00 0.00 H new ATOM 0 HG23 THR A 74 2.590 -8.546 -4.231 1.00 0.00 H new ATOM 1136 N LEU A 75 3.072 -7.707 -1.018 1.00 0.00 N ATOM 1137 CA LEU A 75 4.484 -7.805 -0.571 1.00 0.00 C ATOM 1138 C LEU A 75 4.727 -9.268 -0.235 1.00 0.00 C ATOM 1139 O LEU A 75 3.814 -9.989 0.150 1.00 0.00 O ATOM 1140 CB LEU A 75 4.624 -6.910 0.635 1.00 0.00 C ATOM 1141 CG LEU A 75 5.889 -6.016 0.616 1.00 0.00 C ATOM 1142 CD1 LEU A 75 5.664 -4.809 1.547 1.00 0.00 C ATOM 1143 CD2 LEU A 75 7.135 -6.814 1.084 1.00 0.00 C ATOM 0 H LEU A 75 2.416 -8.252 -0.458 1.00 0.00 H new ATOM 0 HA LEU A 75 5.211 -7.490 -1.320 1.00 0.00 H new ATOM 0 HB2 LEU A 75 3.743 -6.272 0.705 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.643 -7.528 1.533 1.00 0.00 H new ATOM 0 HG LEU A 75 6.066 -5.674 -0.404 1.00 0.00 H new ATOM 0 HD11 LEU A 75 6.550 -4.174 1.540 1.00 0.00 H new ATOM 0 HD12 LEU A 75 4.804 -4.236 1.199 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.479 -5.162 2.562 1.00 0.00 H new ATOM 0 HD21 LEU A 75 8.011 -6.166 1.062 1.00 0.00 H new ATOM 0 HD22 LEU A 75 6.975 -7.175 2.100 1.00 0.00 H new ATOM 0 HD23 LEU A 75 7.295 -7.662 0.419 1.00 0.00 H new ATOM 1155 N ASP A 76 5.957 -9.653 -0.373 1.00 0.00 N ATOM 1156 CA ASP A 76 6.379 -11.040 -0.088 1.00 0.00 C ATOM 1157 C ASP A 76 7.340 -10.805 1.066 1.00 0.00 C ATOM 1158 O ASP A 76 8.189 -9.942 1.022 1.00 0.00 O ATOM 1159 CB ASP A 76 7.059 -11.604 -1.354 1.00 0.00 C ATOM 1160 CG ASP A 76 8.533 -11.300 -1.453 1.00 0.00 C ATOM 1161 OD1 ASP A 76 9.318 -12.048 -0.912 1.00 0.00 O ATOM 1162 OD2 ASP A 76 8.769 -10.303 -2.089 1.00 0.00 O ATOM 0 H ASP A 76 6.712 -9.041 -0.682 1.00 0.00 H new ATOM 0 HA ASP A 76 5.600 -11.760 0.163 1.00 0.00 H new ATOM 0 HB2 ASP A 76 6.920 -12.685 -1.376 1.00 0.00 H new ATOM 0 HB3 ASP A 76 6.557 -11.200 -2.233 1.00 0.00 H new ATOM 1167 N ALA A 77 7.151 -11.575 2.090 1.00 0.00 N ATOM 1168 CA ALA A 77 8.003 -11.480 3.300 1.00 0.00 C ATOM 1169 C ALA A 77 8.196 -12.954 3.704 1.00 0.00 C ATOM 1170 O ALA A 77 7.784 -13.328 4.781 1.00 0.00 O ATOM 1171 CB ALA A 77 7.248 -10.689 4.406 1.00 0.00 C ATOM 0 H ALA A 77 6.422 -12.286 2.142 1.00 0.00 H new ATOM 0 HA ALA A 77 8.949 -10.962 3.141 1.00 0.00 H new ATOM 0 HB1 ALA A 77 7.874 -10.619 5.295 1.00 0.00 H new ATOM 0 HB2 ALA A 77 7.019 -9.687 4.044 1.00 0.00 H new ATOM 0 HB3 ALA A 77 6.321 -11.206 4.655 1.00 0.00 H new ATOM 1177 N PRO A 78 8.772 -13.762 2.847 1.00 0.00 N ATOM 1178 CA PRO A 78 8.961 -15.231 3.054 1.00 0.00 C ATOM 1179 C PRO A 78 9.656 -15.641 4.368 1.00 0.00 C ATOM 1180 O PRO A 78 10.767 -16.132 4.338 1.00 0.00 O ATOM 1181 CB PRO A 78 9.734 -15.692 1.781 1.00 0.00 C ATOM 1182 CG PRO A 78 10.442 -14.391 1.322 1.00 0.00 C ATOM 1183 CD PRO A 78 9.343 -13.344 1.538 1.00 0.00 C ATOM 0 HA PRO A 78 7.997 -15.725 3.175 1.00 0.00 H new ATOM 0 HB2 PRO A 78 10.448 -16.484 2.006 1.00 0.00 H new ATOM 0 HB3 PRO A 78 9.060 -16.078 1.016 1.00 0.00 H new ATOM 0 HG2 PRO A 78 11.332 -14.178 1.915 1.00 0.00 H new ATOM 0 HG3 PRO A 78 10.758 -14.443 0.280 1.00 0.00 H new ATOM 0 HD2 PRO A 78 9.745 -12.331 1.573 1.00 0.00 H new ATOM 0 HD3 PRO A 78 8.598 -13.364 0.743 1.00 0.00 H new ATOM 1191 N GLY A 79 9.001 -15.442 5.474 1.00 0.00 N ATOM 1192 CA GLY A 79 9.600 -15.813 6.783 1.00 0.00 C ATOM 1193 C GLY A 79 9.422 -14.660 7.744 1.00 0.00 C ATOM 1194 O GLY A 79 10.377 -13.999 8.110 1.00 0.00 O ATOM 0 H GLY A 79 8.068 -15.034 5.528 1.00 0.00 H new ATOM 0 HA2 GLY A 79 9.121 -16.710 7.177 1.00 0.00 H new ATOM 0 HA3 GLY A 79 10.658 -16.044 6.662 1.00 0.00 H new ATOM 1198 N TYR A 80 8.186 -14.455 8.096 1.00 0.00 N ATOM 1199 CA TYR A 80 7.803 -13.382 9.034 1.00 0.00 C ATOM 1200 C TYR A 80 6.750 -14.129 9.885 1.00 0.00 C ATOM 1201 O TYR A 80 5.664 -13.610 10.061 1.00 0.00 O ATOM 1202 CB TYR A 80 7.202 -12.180 8.231 1.00 0.00 C ATOM 1203 CG TYR A 80 7.166 -10.892 9.091 1.00 0.00 C ATOM 1204 CD1 TYR A 80 7.209 -10.924 10.475 1.00 0.00 C ATOM 1205 CD2 TYR A 80 7.094 -9.662 8.470 1.00 0.00 C ATOM 1206 CE1 TYR A 80 7.181 -9.761 11.212 1.00 0.00 C ATOM 1207 CE2 TYR A 80 7.068 -8.501 9.211 1.00 0.00 C ATOM 1208 CZ TYR A 80 7.113 -8.544 10.584 1.00 0.00 C ATOM 1209 OH TYR A 80 7.092 -7.384 11.325 1.00 0.00 O ATOM 1210 OXT TYR A 80 7.100 -15.214 10.320 1.00 0.00 O ATOM 0 H TYR A 80 7.402 -15.011 7.756 1.00 0.00 H new ATOM 0 HA TYR A 80 8.604 -12.942 9.629 1.00 0.00 H new ATOM 0 HB2 TYR A 80 7.797 -12.005 7.334 1.00 0.00 H new ATOM 0 HB3 TYR A 80 6.193 -12.428 7.901 1.00 0.00 H new ATOM 0 HD1 TYR A 80 7.265 -11.875 10.984 1.00 0.00 H new ATOM 0 HD2 TYR A 80 7.058 -9.609 7.392 1.00 0.00 H new ATOM 0 HE1 TYR A 80 7.213 -9.808 12.291 1.00 0.00 H new ATOM 0 HE2 TYR A 80 7.012 -7.547 8.708 1.00 0.00 H new ATOM 0 HH TYR A 80 7.043 -6.612 10.723 1.00 0.00 H new TER 1220 TYR A 80