USER MOD reduce.3.24.130724 H: found=0, std=0, add=528, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 528 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 44 CYS SG : rot 140:sc= -0.253! USER MOD Set 1.2: A 71 ASN : amide:sc= -1.29! C(o=-1.5!,f=-13!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -0.125! C(o=-0.13!,f=-7.8!) USER MOD Single : A 49 ASN : amide:sc= -1.32 K(o=-1.3,f=-0.45) USER MOD Single : A 50 CYS SG : rot 138:sc= 0.53 USER MOD Single : A 51 MET CE :methyl -107:sc=-0.000364 (180deg=-0.14) USER MOD Single : A 53 THR OG1 : rot 63:sc= -0.487 USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.00828 USER MOD Single : A 61 MET CE :methyl 155:sc= -0.141 (180deg=-1.08) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -0.0137 K(o=-0.014,f=-1.9!) USER MOD Single : A 69 GLN : amide:sc= -0.0286 K(o=-0.029,f=-2!) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= -0.0102 K(o=-0.01,f=-1.4!) USER MOD Single : A 77 HIS : no HD1:sc= -2.71 K(o=-2.7,f=-2.1) USER MOD Single : A 87 MET CE :methyl 173:sc= 0 (180deg=-0.0736) USER MOD ----------------------------------------------------------------- ATOM 30 N ARG A 20 -14.814 -5.656 -0.665 1.00 0.00 N ATOM 31 CA ARG A 20 -13.693 -6.026 0.180 1.00 0.00 C ATOM 32 C ARG A 20 -12.779 -7.022 -0.539 1.00 0.00 C ATOM 33 O ARG A 20 -13.236 -7.803 -1.374 1.00 0.00 O ATOM 34 CB ARG A 20 -14.201 -6.646 1.490 1.00 0.00 C ATOM 35 CG ARG A 20 -14.613 -5.535 2.457 1.00 0.00 C ATOM 36 CD ARG A 20 -15.161 -6.154 3.739 1.00 0.00 C ATOM 37 NE ARG A 20 -16.419 -6.841 3.466 1.00 0.00 N ATOM 38 CZ ARG A 20 -16.876 -7.789 4.279 1.00 0.00 C ATOM 39 NH1 ARG A 20 -16.197 -8.116 5.344 1.00 0.00 N ATOM 40 NH2 ARG A 20 -18.002 -8.389 4.012 1.00 0.00 N ATOM 0 HA ARG A 20 -13.122 -5.125 0.404 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -15.049 -7.301 1.289 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -13.422 -7.262 1.939 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -13.757 -4.900 2.684 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -15.368 -4.899 1.996 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -14.436 -6.856 4.152 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -15.316 -5.378 4.489 1.00 0.00 H new ATOM 0 HE ARG A 20 -16.957 -6.590 2.637 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -15.317 -7.645 5.552 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -16.546 -8.843 5.968 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -18.532 -8.131 3.180 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -18.353 -9.116 4.635 1.00 0.00 H new ATOM 54 N PRO A 21 -11.508 -7.009 -0.226 1.00 0.00 N ATOM 55 CA PRO A 21 -10.515 -7.934 -0.849 1.00 0.00 C ATOM 56 C PRO A 21 -10.760 -9.388 -0.459 1.00 0.00 C ATOM 57 O PRO A 21 -10.291 -10.306 -1.129 1.00 0.00 O ATOM 58 CB PRO A 21 -9.161 -7.429 -0.314 1.00 0.00 C ATOM 59 CG PRO A 21 -9.488 -6.714 0.959 1.00 0.00 C ATOM 60 CD PRO A 21 -10.874 -6.110 0.755 1.00 0.00 C ATOM 0 HA PRO A 21 -10.572 -7.927 -1.938 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -8.474 -8.256 -0.136 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -8.679 -6.762 -1.028 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -9.482 -7.401 1.805 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -8.752 -5.939 1.172 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -11.437 -6.075 1.688 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -10.814 -5.088 0.381 1.00 0.00 H new ATOM 68 N GLU A 22 -11.489 -9.591 0.629 1.00 0.00 N ATOM 69 CA GLU A 22 -11.786 -10.943 1.092 1.00 0.00 C ATOM 70 C GLU A 22 -13.072 -11.445 0.451 1.00 0.00 C ATOM 71 O GLU A 22 -13.242 -12.645 0.240 1.00 0.00 O ATOM 72 CB GLU A 22 -11.927 -10.958 2.618 1.00 0.00 C ATOM 73 CG GLU A 22 -12.183 -12.390 3.104 1.00 0.00 C ATOM 74 CD GLU A 22 -10.981 -13.269 2.779 1.00 0.00 C ATOM 75 OE1 GLU A 22 -9.904 -12.723 2.602 1.00 0.00 O ATOM 76 OE2 GLU A 22 -11.156 -14.474 2.708 1.00 0.00 O ATOM 0 H GLU A 22 -11.883 -8.847 1.204 1.00 0.00 H new ATOM 0 HA GLU A 22 -10.965 -11.600 0.804 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -11.021 -10.564 3.080 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -12.748 -10.309 2.923 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -12.366 -12.392 4.178 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -13.078 -12.791 2.627 1.00 0.00 H new ATOM 83 N GLU A 23 -13.977 -10.522 0.148 1.00 0.00 N ATOM 84 CA GLU A 23 -15.245 -10.887 -0.464 1.00 0.00 C ATOM 85 C GLU A 23 -15.090 -11.023 -1.974 1.00 0.00 C ATOM 86 O GLU A 23 -15.740 -11.861 -2.596 1.00 0.00 O ATOM 87 CB GLU A 23 -16.305 -9.828 -0.152 1.00 0.00 C ATOM 88 CG GLU A 23 -17.679 -10.306 -0.638 1.00 0.00 C ATOM 89 CD GLU A 23 -18.135 -11.503 0.190 1.00 0.00 C ATOM 90 OE1 GLU A 23 -17.622 -11.670 1.283 1.00 0.00 O ATOM 91 OE2 GLU A 23 -18.987 -12.236 -0.284 1.00 0.00 O ATOM 0 H GLU A 23 -13.856 -9.523 0.315 1.00 0.00 H new ATOM 0 HA GLU A 23 -15.561 -11.846 -0.053 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -16.335 -9.636 0.921 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -16.045 -8.887 -0.637 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -18.405 -9.497 -0.555 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -17.627 -10.580 -1.692 1.00 0.00 H new ATOM 98 N ILE A 24 -14.230 -10.193 -2.558 1.00 0.00 N ATOM 99 CA ILE A 24 -14.015 -10.229 -3.998 1.00 0.00 C ATOM 100 C ILE A 24 -13.740 -11.655 -4.466 1.00 0.00 C ATOM 101 O ILE A 24 -14.118 -12.042 -5.571 1.00 0.00 O ATOM 102 CB ILE A 24 -12.831 -9.327 -4.366 1.00 0.00 C ATOM 103 CG1 ILE A 24 -12.796 -9.115 -5.882 1.00 0.00 C ATOM 104 CG2 ILE A 24 -11.521 -9.988 -3.912 1.00 0.00 C ATOM 105 CD1 ILE A 24 -11.798 -8.008 -6.219 1.00 0.00 C ATOM 0 H ILE A 24 -13.677 -9.495 -2.061 1.00 0.00 H new ATOM 0 HA ILE A 24 -14.917 -9.869 -4.493 1.00 0.00 H new ATOM 0 HB ILE A 24 -12.944 -8.364 -3.869 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -12.512 -10.040 -6.383 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -13.788 -8.848 -6.246 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -10.680 -9.346 -4.174 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -11.543 -10.135 -2.832 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -11.409 -10.953 -4.407 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -11.773 -7.857 -7.298 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -12.102 -7.083 -5.730 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -10.806 -8.294 -5.870 1.00 0.00 H new ATOM 117 N GLU A 25 -13.077 -12.431 -3.614 1.00 0.00 N ATOM 118 CA GLU A 25 -12.754 -13.811 -3.947 1.00 0.00 C ATOM 119 C GLU A 25 -14.029 -14.604 -4.207 1.00 0.00 C ATOM 120 O GLU A 25 -14.059 -15.491 -5.062 1.00 0.00 O ATOM 121 CB GLU A 25 -11.969 -14.454 -2.801 1.00 0.00 C ATOM 122 CG GLU A 25 -10.586 -13.811 -2.704 1.00 0.00 C ATOM 123 CD GLU A 25 -9.848 -14.347 -1.483 1.00 0.00 C ATOM 124 OE1 GLU A 25 -10.410 -15.182 -0.794 1.00 0.00 O ATOM 125 OE2 GLU A 25 -8.731 -13.915 -1.253 1.00 0.00 O ATOM 0 H GLU A 25 -12.755 -12.129 -2.694 1.00 0.00 H new ATOM 0 HA GLU A 25 -12.143 -13.819 -4.850 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -12.507 -14.327 -1.862 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -11.872 -15.526 -2.970 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -10.013 -14.022 -3.607 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -10.683 -12.728 -2.634 1.00 0.00 H new ATOM 132 N GLU A 26 -15.083 -14.278 -3.468 1.00 0.00 N ATOM 133 CA GLU A 26 -16.357 -14.967 -3.631 1.00 0.00 C ATOM 134 C GLU A 26 -16.967 -14.650 -4.994 1.00 0.00 C ATOM 135 O GLU A 26 -17.588 -15.505 -5.622 1.00 0.00 O ATOM 136 CB GLU A 26 -17.326 -14.549 -2.515 1.00 0.00 C ATOM 137 CG GLU A 26 -18.397 -15.629 -2.325 1.00 0.00 C ATOM 138 CD GLU A 26 -19.245 -15.743 -3.587 1.00 0.00 C ATOM 139 OE1 GLU A 26 -19.608 -14.712 -4.129 1.00 0.00 O ATOM 140 OE2 GLU A 26 -19.520 -16.861 -3.993 1.00 0.00 O ATOM 0 H GLU A 26 -15.081 -13.547 -2.756 1.00 0.00 H new ATOM 0 HA GLU A 26 -16.181 -16.041 -3.570 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -16.779 -14.398 -1.584 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -17.796 -13.598 -2.766 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -17.926 -16.587 -2.105 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -19.029 -15.381 -1.472 1.00 0.00 H new ATOM 147 N LEU A 27 -16.791 -13.414 -5.437 1.00 0.00 N ATOM 148 CA LEU A 27 -17.333 -12.987 -6.720 1.00 0.00 C ATOM 149 C LEU A 27 -16.685 -13.763 -7.855 1.00 0.00 C ATOM 150 O LEU A 27 -17.344 -14.136 -8.824 1.00 0.00 O ATOM 151 CB LEU A 27 -17.102 -11.482 -6.911 1.00 0.00 C ATOM 152 CG LEU A 27 -18.166 -10.691 -6.133 1.00 0.00 C ATOM 153 CD1 LEU A 27 -19.560 -10.877 -6.774 1.00 0.00 C ATOM 154 CD2 LEU A 27 -18.197 -11.182 -4.678 1.00 0.00 C ATOM 0 H LEU A 27 -16.280 -12.691 -4.930 1.00 0.00 H new ATOM 0 HA LEU A 27 -18.404 -13.187 -6.731 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -16.106 -11.210 -6.562 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -17.149 -11.229 -7.970 1.00 0.00 H new ATOM 0 HG LEU A 27 -17.911 -9.632 -6.162 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -20.299 -10.309 -6.209 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -19.538 -10.520 -7.803 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -19.828 -11.934 -6.762 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -18.950 -10.624 -4.122 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -18.443 -12.244 -4.657 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -17.220 -11.027 -4.221 1.00 0.00 H new ATOM 166 N ARG A 28 -15.391 -13.996 -7.728 1.00 0.00 N ATOM 167 CA ARG A 28 -14.658 -14.722 -8.751 1.00 0.00 C ATOM 168 C ARG A 28 -15.229 -16.127 -8.912 1.00 0.00 C ATOM 169 O ARG A 28 -15.311 -16.646 -10.024 1.00 0.00 O ATOM 170 CB ARG A 28 -13.178 -14.807 -8.374 1.00 0.00 C ATOM 171 CG ARG A 28 -12.362 -15.352 -9.563 1.00 0.00 C ATOM 172 CD ARG A 28 -11.939 -14.195 -10.472 1.00 0.00 C ATOM 173 NE ARG A 28 -11.195 -14.703 -11.616 1.00 0.00 N ATOM 174 CZ ARG A 28 -9.880 -14.882 -11.558 1.00 0.00 C ATOM 175 NH1 ARG A 28 -9.232 -14.604 -10.459 1.00 0.00 N ATOM 176 NH2 ARG A 28 -9.239 -15.338 -12.598 1.00 0.00 N ATOM 0 H ARG A 28 -14.828 -13.695 -6.932 1.00 0.00 H new ATOM 0 HA ARG A 28 -14.757 -14.188 -9.696 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -12.809 -13.821 -8.090 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -13.052 -15.456 -7.507 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -11.482 -15.882 -9.200 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -12.957 -16.071 -10.126 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -12.819 -13.650 -10.814 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -11.324 -13.489 -9.913 1.00 0.00 H new ATOM 0 HE ARG A 28 -11.693 -14.926 -12.478 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -9.736 -14.250 -9.646 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -8.222 -14.741 -10.414 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -9.747 -15.557 -13.455 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -8.229 -15.476 -12.555 1.00 0.00 H new ATOM 190 N GLU A 29 -15.614 -16.736 -7.796 1.00 0.00 N ATOM 191 CA GLU A 29 -16.169 -18.082 -7.833 1.00 0.00 C ATOM 192 C GLU A 29 -17.410 -18.119 -8.717 1.00 0.00 C ATOM 193 O GLU A 29 -17.555 -19.007 -9.556 1.00 0.00 O ATOM 194 CB GLU A 29 -16.538 -18.528 -6.417 1.00 0.00 C ATOM 195 CG GLU A 29 -15.266 -18.682 -5.583 1.00 0.00 C ATOM 196 CD GLU A 29 -15.625 -19.050 -4.147 1.00 0.00 C ATOM 197 OE1 GLU A 29 -16.802 -19.225 -3.878 1.00 0.00 O ATOM 198 OE2 GLU A 29 -14.717 -19.151 -3.337 1.00 0.00 O ATOM 0 H GLU A 29 -15.553 -16.324 -6.865 1.00 0.00 H new ATOM 0 HA GLU A 29 -15.420 -18.758 -8.245 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -17.202 -17.797 -5.955 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -17.080 -19.473 -6.452 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -14.628 -19.453 -6.016 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -14.697 -17.752 -5.598 1.00 0.00 H new ATOM 205 N ALA A 30 -18.299 -17.148 -8.529 1.00 0.00 N ATOM 206 CA ALA A 30 -19.520 -17.081 -9.325 1.00 0.00 C ATOM 207 C ALA A 30 -19.187 -16.862 -10.796 1.00 0.00 C ATOM 208 O ALA A 30 -19.679 -17.575 -11.668 1.00 0.00 O ATOM 209 CB ALA A 30 -20.405 -15.940 -8.825 1.00 0.00 C ATOM 0 H ALA A 30 -18.199 -16.403 -7.839 1.00 0.00 H new ATOM 0 HA ALA A 30 -20.053 -18.026 -9.222 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -21.315 -15.896 -9.424 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -20.666 -16.113 -7.781 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -19.867 -14.996 -8.913 1.00 0.00 H new ATOM 215 N PHE A 31 -18.346 -15.872 -11.067 1.00 0.00 N ATOM 216 CA PHE A 31 -17.965 -15.569 -12.443 1.00 0.00 C ATOM 217 C PHE A 31 -17.534 -16.838 -13.165 1.00 0.00 C ATOM 218 O PHE A 31 -18.020 -17.139 -14.255 1.00 0.00 O ATOM 219 CB PHE A 31 -16.812 -14.563 -12.447 1.00 0.00 C ATOM 220 CG PHE A 31 -16.482 -14.174 -13.870 1.00 0.00 C ATOM 221 CD1 PHE A 31 -15.696 -15.019 -14.662 1.00 0.00 C ATOM 222 CD2 PHE A 31 -16.962 -12.970 -14.396 1.00 0.00 C ATOM 223 CE1 PHE A 31 -15.389 -14.657 -15.982 1.00 0.00 C ATOM 224 CE2 PHE A 31 -16.654 -12.608 -15.715 1.00 0.00 C ATOM 225 CZ PHE A 31 -15.869 -13.450 -16.509 1.00 0.00 C ATOM 0 H PHE A 31 -17.918 -15.271 -10.363 1.00 0.00 H new ATOM 0 HA PHE A 31 -18.825 -15.143 -12.960 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -17.086 -13.678 -11.872 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -15.936 -14.997 -11.966 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -15.326 -15.949 -14.257 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -17.570 -12.319 -13.786 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -14.782 -15.309 -16.593 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -17.024 -11.677 -16.119 1.00 0.00 H new ATOM 0 HZ PHE A 31 -15.633 -13.171 -17.525 1.00 0.00 H new ATOM 235 N ARG A 32 -16.626 -17.580 -12.552 1.00 0.00 N ATOM 236 CA ARG A 32 -16.144 -18.822 -13.145 1.00 0.00 C ATOM 237 C ARG A 32 -17.252 -19.869 -13.176 1.00 0.00 C ATOM 238 O ARG A 32 -17.399 -20.603 -14.151 1.00 0.00 O ATOM 239 CB ARG A 32 -14.949 -19.358 -12.349 1.00 0.00 C ATOM 240 CG ARG A 32 -14.391 -20.608 -13.038 1.00 0.00 C ATOM 241 CD ARG A 32 -13.149 -21.091 -12.286 1.00 0.00 C ATOM 242 NE ARG A 32 -12.067 -20.122 -12.428 1.00 0.00 N ATOM 243 CZ ARG A 32 -10.949 -20.234 -11.719 1.00 0.00 C ATOM 244 NH1 ARG A 32 -10.806 -21.220 -10.876 1.00 0.00 N ATOM 245 NH2 ARG A 32 -9.994 -19.357 -11.863 1.00 0.00 N ATOM 0 H ARG A 32 -16.209 -17.348 -11.650 1.00 0.00 H new ATOM 0 HA ARG A 32 -15.831 -18.613 -14.168 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -14.175 -18.594 -12.277 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -15.256 -19.598 -11.331 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -15.146 -21.394 -13.058 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -14.138 -20.383 -14.074 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -13.385 -21.232 -11.231 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -12.833 -22.059 -12.674 1.00 0.00 H new ATOM 0 HE ARG A 32 -12.171 -19.346 -13.082 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -11.553 -21.905 -10.761 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -9.947 -21.305 -10.332 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -10.105 -18.585 -12.520 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -9.136 -19.443 -11.318 1.00 0.00 H new ATOM 259 N GLU A 33 -18.022 -19.937 -12.096 1.00 0.00 N ATOM 260 CA GLU A 33 -19.105 -20.909 -12.003 1.00 0.00 C ATOM 261 C GLU A 33 -19.931 -20.905 -13.284 1.00 0.00 C ATOM 262 O GLU A 33 -20.197 -21.956 -13.865 1.00 0.00 O ATOM 263 CB GLU A 33 -20.002 -20.574 -10.806 1.00 0.00 C ATOM 264 CG GLU A 33 -21.003 -21.710 -10.578 1.00 0.00 C ATOM 265 CD GLU A 33 -20.275 -22.951 -10.075 1.00 0.00 C ATOM 266 OE1 GLU A 33 -19.102 -22.839 -9.759 1.00 0.00 O ATOM 267 OE2 GLU A 33 -20.899 -23.998 -10.020 1.00 0.00 O ATOM 0 H GLU A 33 -17.918 -19.336 -11.279 1.00 0.00 H new ATOM 0 HA GLU A 33 -18.675 -21.901 -11.865 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -19.394 -20.427 -9.913 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -20.533 -19.639 -10.987 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -21.757 -21.402 -9.854 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -21.527 -21.937 -11.507 1.00 0.00 H new ATOM 274 N PHE A 34 -20.328 -19.718 -13.719 1.00 0.00 N ATOM 275 CA PHE A 34 -21.115 -19.582 -14.934 1.00 0.00 C ATOM 276 C PHE A 34 -20.252 -19.863 -16.155 1.00 0.00 C ATOM 277 O PHE A 34 -20.742 -20.364 -17.168 1.00 0.00 O ATOM 278 CB PHE A 34 -21.717 -18.173 -15.027 1.00 0.00 C ATOM 279 CG PHE A 34 -22.912 -18.070 -14.109 1.00 0.00 C ATOM 280 CD1 PHE A 34 -24.165 -18.518 -14.544 1.00 0.00 C ATOM 281 CD2 PHE A 34 -22.770 -17.530 -12.826 1.00 0.00 C ATOM 282 CE1 PHE A 34 -25.274 -18.426 -13.696 1.00 0.00 C ATOM 283 CE2 PHE A 34 -23.880 -17.437 -11.977 1.00 0.00 C ATOM 284 CZ PHE A 34 -25.132 -17.885 -12.413 1.00 0.00 C ATOM 0 H PHE A 34 -20.118 -18.837 -13.249 1.00 0.00 H new ATOM 0 HA PHE A 34 -21.928 -20.308 -14.903 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -20.970 -17.429 -14.752 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -22.015 -17.961 -16.054 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -24.276 -18.935 -15.534 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -21.803 -17.185 -12.490 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -26.240 -18.773 -14.032 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -23.770 -17.020 -10.987 1.00 0.00 H new ATOM 0 HZ PHE A 34 -25.989 -17.813 -11.759 1.00 0.00 H new ATOM 294 N ASP A 35 -18.965 -19.526 -16.060 1.00 0.00 N ATOM 295 CA ASP A 35 -18.057 -19.743 -17.175 1.00 0.00 C ATOM 296 C ASP A 35 -17.543 -21.183 -17.169 1.00 0.00 C ATOM 297 O ASP A 35 -16.399 -21.443 -16.802 1.00 0.00 O ATOM 298 CB ASP A 35 -16.874 -18.771 -17.075 1.00 0.00 C ATOM 299 CG ASP A 35 -16.208 -18.608 -18.436 1.00 0.00 C ATOM 300 OD1 ASP A 35 -16.924 -18.391 -19.399 1.00 0.00 O ATOM 301 OD2 ASP A 35 -14.994 -18.703 -18.494 1.00 0.00 O ATOM 0 H ASP A 35 -18.537 -19.108 -15.234 1.00 0.00 H new ATOM 0 HA ASP A 35 -18.595 -19.566 -18.106 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -17.220 -17.803 -16.713 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -16.150 -19.142 -16.350 1.00 0.00 H new ATOM 306 N LYS A 36 -18.396 -22.113 -17.576 1.00 0.00 N ATOM 307 CA LYS A 36 -18.018 -23.521 -17.605 1.00 0.00 C ATOM 308 C LYS A 36 -16.921 -23.760 -18.628 1.00 0.00 C ATOM 309 O LYS A 36 -16.406 -24.871 -18.746 1.00 0.00 O ATOM 310 CB LYS A 36 -19.234 -24.381 -17.953 1.00 0.00 C ATOM 311 CG LYS A 36 -20.454 -23.920 -17.116 1.00 0.00 C ATOM 312 CD LYS A 36 -21.369 -23.016 -17.963 1.00 0.00 C ATOM 313 CE LYS A 36 -22.296 -23.880 -18.820 1.00 0.00 C ATOM 314 NZ LYS A 36 -23.226 -23.002 -19.574 1.00 0.00 N ATOM 0 H LYS A 36 -19.348 -21.921 -17.889 1.00 0.00 H new ATOM 0 HA LYS A 36 -17.646 -23.796 -16.618 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -19.458 -24.299 -19.017 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -19.019 -25.431 -17.753 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -21.012 -24.788 -16.765 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -20.115 -23.380 -16.232 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -21.957 -22.367 -17.314 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -20.767 -22.368 -18.600 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -21.711 -24.487 -19.510 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -22.858 -24.568 -18.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -23.858 -23.586 -20.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -23.792 -22.441 -18.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -22.680 -22.363 -20.187 1.00 0.00 H new ATOM 328 N ASP A 37 -16.570 -22.714 -19.370 1.00 0.00 N ATOM 329 CA ASP A 37 -15.526 -22.822 -20.387 1.00 0.00 C ATOM 330 C ASP A 37 -14.198 -22.307 -19.846 1.00 0.00 C ATOM 331 O ASP A 37 -13.134 -22.640 -20.365 1.00 0.00 O ATOM 332 CB ASP A 37 -15.921 -22.010 -21.620 1.00 0.00 C ATOM 333 CG ASP A 37 -16.183 -20.562 -21.232 1.00 0.00 C ATOM 334 OD1 ASP A 37 -15.413 -20.033 -20.448 1.00 0.00 O ATOM 335 OD2 ASP A 37 -17.147 -20.001 -21.726 1.00 0.00 O ATOM 0 H ASP A 37 -16.989 -21.788 -19.288 1.00 0.00 H new ATOM 0 HA ASP A 37 -15.413 -23.872 -20.659 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -15.127 -22.057 -22.365 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -16.813 -22.439 -22.077 1.00 0.00 H new ATOM 340 N LYS A 38 -14.263 -21.490 -18.801 1.00 0.00 N ATOM 341 CA LYS A 38 -13.053 -20.935 -18.204 1.00 0.00 C ATOM 342 C LYS A 38 -12.197 -20.252 -19.263 1.00 0.00 C ATOM 343 O LYS A 38 -10.984 -20.451 -19.322 1.00 0.00 O ATOM 344 CB LYS A 38 -12.247 -22.050 -17.507 1.00 0.00 C ATOM 345 CG LYS A 38 -11.597 -21.510 -16.232 1.00 0.00 C ATOM 346 CD LYS A 38 -10.590 -20.413 -16.589 1.00 0.00 C ATOM 347 CE LYS A 38 -9.895 -19.925 -15.322 1.00 0.00 C ATOM 348 NZ LYS A 38 -8.918 -18.856 -15.674 1.00 0.00 N ATOM 0 H LYS A 38 -15.132 -21.199 -18.353 1.00 0.00 H new ATOM 0 HA LYS A 38 -13.343 -20.191 -17.462 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -12.903 -22.886 -17.264 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -11.481 -22.432 -18.182 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -12.361 -21.112 -15.564 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -11.096 -22.317 -15.698 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -9.854 -20.797 -17.295 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.099 -19.583 -17.079 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -10.631 -19.542 -14.615 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -9.383 -20.754 -14.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -8.443 -18.522 -14.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -8.210 -19.236 -16.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -9.418 -18.063 -16.123 1.00 0.00 H new ATOM 362 N ASP A 39 -12.829 -19.439 -20.089 1.00 0.00 N ATOM 363 CA ASP A 39 -12.115 -18.722 -21.140 1.00 0.00 C ATOM 364 C ASP A 39 -11.830 -17.287 -20.708 1.00 0.00 C ATOM 365 O ASP A 39 -11.191 -16.529 -21.436 1.00 0.00 O ATOM 366 CB ASP A 39 -12.941 -18.722 -22.424 1.00 0.00 C ATOM 367 CG ASP A 39 -14.324 -18.142 -22.151 1.00 0.00 C ATOM 368 OD1 ASP A 39 -14.609 -17.857 -21.000 1.00 0.00 O ATOM 369 OD2 ASP A 39 -15.079 -17.995 -23.097 1.00 0.00 O ATOM 0 H ASP A 39 -13.832 -19.256 -20.056 1.00 0.00 H new ATOM 0 HA ASP A 39 -11.167 -19.227 -21.323 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -12.436 -18.135 -23.192 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -13.032 -19.738 -22.808 1.00 0.00 H new ATOM 374 N GLY A 40 -12.305 -16.921 -19.517 1.00 0.00 N ATOM 375 CA GLY A 40 -12.091 -15.575 -19.003 1.00 0.00 C ATOM 376 C GLY A 40 -12.966 -14.578 -19.746 1.00 0.00 C ATOM 377 O GLY A 40 -12.531 -13.473 -20.063 1.00 0.00 O ATOM 0 H GLY A 40 -12.835 -17.534 -18.898 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -12.319 -15.545 -17.938 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -11.042 -15.300 -19.112 1.00 0.00 H new ATOM 381 N TYR A 41 -14.204 -14.982 -20.020 1.00 0.00 N ATOM 382 CA TYR A 41 -15.137 -14.114 -20.732 1.00 0.00 C ATOM 383 C TYR A 41 -16.573 -14.578 -20.540 1.00 0.00 C ATOM 384 O TYR A 41 -16.834 -15.772 -20.423 1.00 0.00 O ATOM 385 CB TYR A 41 -14.812 -14.110 -22.225 1.00 0.00 C ATOM 386 CG TYR A 41 -13.514 -13.376 -22.463 1.00 0.00 C ATOM 387 CD1 TYR A 41 -13.471 -11.984 -22.339 1.00 0.00 C ATOM 388 CD2 TYR A 41 -12.357 -14.084 -22.803 1.00 0.00 C ATOM 389 CE1 TYR A 41 -12.270 -11.299 -22.555 1.00 0.00 C ATOM 390 CE2 TYR A 41 -11.155 -13.401 -23.019 1.00 0.00 C ATOM 391 CZ TYR A 41 -11.111 -12.006 -22.894 1.00 0.00 C ATOM 392 OH TYR A 41 -9.926 -11.331 -23.107 1.00 0.00 O ATOM 0 H TYR A 41 -14.581 -15.894 -19.763 1.00 0.00 H new ATOM 0 HA TYR A 41 -15.034 -13.108 -20.325 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -14.735 -15.133 -22.593 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -15.618 -13.632 -22.781 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -14.365 -11.437 -22.077 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -12.391 -15.159 -22.899 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -12.238 -10.224 -22.460 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -10.262 -13.949 -23.282 1.00 0.00 H new ATOM 0 HH TYR A 41 -9.220 -11.972 -23.332 1.00 0.00 H new ATOM 402 N ILE A 42 -17.504 -13.626 -20.522 1.00 0.00 N ATOM 403 CA ILE A 42 -18.920 -13.950 -20.361 1.00 0.00 C ATOM 404 C ILE A 42 -19.782 -12.874 -21.007 1.00 0.00 C ATOM 405 O ILE A 42 -19.265 -11.910 -21.565 1.00 0.00 O ATOM 406 CB ILE A 42 -19.270 -14.069 -18.875 1.00 0.00 C ATOM 407 CG1 ILE A 42 -18.902 -12.771 -18.153 1.00 0.00 C ATOM 408 CG2 ILE A 42 -18.494 -15.232 -18.256 1.00 0.00 C ATOM 409 CD1 ILE A 42 -19.511 -12.772 -16.753 1.00 0.00 C ATOM 0 H ILE A 42 -17.305 -12.630 -20.616 1.00 0.00 H new ATOM 0 HA ILE A 42 -19.115 -14.904 -20.850 1.00 0.00 H new ATOM 0 HB ILE A 42 -20.340 -14.250 -18.772 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -17.818 -12.674 -18.089 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -19.266 -11.913 -18.718 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -18.745 -15.315 -17.198 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -18.759 -16.158 -18.765 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -17.424 -15.053 -18.362 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -19.247 -11.847 -16.241 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -20.596 -12.849 -16.828 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -19.125 -13.621 -16.189 1.00 0.00 H new ATOM 421 N ASN A 43 -21.102 -13.042 -20.927 1.00 0.00 N ATOM 422 CA ASN A 43 -22.033 -12.071 -21.503 1.00 0.00 C ATOM 423 C ASN A 43 -23.065 -11.640 -20.469 1.00 0.00 C ATOM 424 O ASN A 43 -23.104 -12.168 -19.357 1.00 0.00 O ATOM 425 CB ASN A 43 -22.736 -12.684 -22.708 1.00 0.00 C ATOM 426 CG ASN A 43 -23.301 -14.057 -22.346 1.00 0.00 C ATOM 427 OD1 ASN A 43 -23.108 -14.534 -21.228 1.00 0.00 O ATOM 428 ND2 ASN A 43 -23.998 -14.723 -23.228 1.00 0.00 N ATOM 0 H ASN A 43 -21.549 -13.837 -20.471 1.00 0.00 H new ATOM 0 HA ASN A 43 -21.469 -11.193 -21.819 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -23.540 -12.028 -23.042 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -22.036 -12.778 -23.538 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -24.382 -15.638 -22.990 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -24.158 -14.328 -24.155 1.00 0.00 H new ATOM 435 N CYS A 44 -23.892 -10.671 -20.842 1.00 0.00 N ATOM 436 CA CYS A 44 -24.916 -10.162 -19.942 1.00 0.00 C ATOM 437 C CYS A 44 -25.954 -11.239 -19.644 1.00 0.00 C ATOM 438 O CYS A 44 -26.812 -11.066 -18.779 1.00 0.00 O ATOM 439 CB CYS A 44 -25.603 -8.941 -20.562 1.00 0.00 C ATOM 440 SG CYS A 44 -24.356 -7.701 -20.981 1.00 0.00 S ATOM 0 H CYS A 44 -23.873 -10.224 -21.759 1.00 0.00 H new ATOM 0 HA CYS A 44 -24.436 -9.870 -19.008 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -26.155 -9.234 -21.455 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -26.327 -8.523 -19.863 1.00 0.00 H new ATOM 0 HG CYS A 44 -24.651 -7.158 -22.124 1.00 0.00 H new ATOM 446 N ARG A 45 -25.878 -12.345 -20.375 1.00 0.00 N ATOM 447 CA ARG A 45 -26.830 -13.433 -20.184 1.00 0.00 C ATOM 448 C ARG A 45 -26.707 -14.022 -18.782 1.00 0.00 C ATOM 449 O ARG A 45 -27.699 -14.152 -18.065 1.00 0.00 O ATOM 450 CB ARG A 45 -26.574 -14.529 -21.221 1.00 0.00 C ATOM 451 CG ARG A 45 -27.647 -15.613 -21.097 1.00 0.00 C ATOM 452 CD ARG A 45 -27.422 -16.680 -22.170 1.00 0.00 C ATOM 453 NE ARG A 45 -28.513 -17.648 -22.154 1.00 0.00 N ATOM 454 CZ ARG A 45 -28.513 -18.698 -22.968 1.00 0.00 C ATOM 455 NH1 ARG A 45 -27.524 -18.876 -23.802 1.00 0.00 N ATOM 456 NH2 ARG A 45 -29.499 -19.552 -22.934 1.00 0.00 N ATOM 0 H ARG A 45 -25.177 -12.512 -21.097 1.00 0.00 H new ATOM 0 HA ARG A 45 -27.837 -13.035 -20.307 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -26.586 -14.104 -22.225 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -25.585 -14.963 -21.070 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -27.609 -16.065 -20.106 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -28.638 -15.173 -21.209 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -27.357 -16.211 -23.152 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -26.473 -17.187 -21.995 1.00 0.00 H new ATOM 0 HE ARG A 45 -29.290 -17.516 -21.506 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -26.753 -18.209 -23.828 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -27.523 -19.682 -24.427 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -30.271 -19.414 -22.282 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -29.498 -20.358 -23.560 1.00 0.00 H new ATOM 470 N ASP A 46 -25.486 -14.378 -18.398 1.00 0.00 N ATOM 471 CA ASP A 46 -25.250 -14.956 -17.080 1.00 0.00 C ATOM 472 C ASP A 46 -25.202 -13.870 -16.020 1.00 0.00 C ATOM 473 O ASP A 46 -25.257 -14.153 -14.824 1.00 0.00 O ATOM 474 CB ASP A 46 -23.932 -15.737 -17.082 1.00 0.00 C ATOM 475 CG ASP A 46 -24.058 -16.979 -17.960 1.00 0.00 C ATOM 476 OD1 ASP A 46 -25.175 -17.332 -18.297 1.00 0.00 O ATOM 477 OD2 ASP A 46 -23.034 -17.556 -18.287 1.00 0.00 O ATOM 0 H ASP A 46 -24.651 -14.278 -18.975 1.00 0.00 H new ATOM 0 HA ASP A 46 -26.072 -15.633 -16.847 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -23.125 -15.103 -17.450 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -23.671 -16.027 -16.064 1.00 0.00 H new ATOM 482 N LEU A 47 -25.102 -12.624 -16.464 1.00 0.00 N ATOM 483 CA LEU A 47 -25.051 -11.510 -15.535 1.00 0.00 C ATOM 484 C LEU A 47 -26.341 -11.430 -14.730 1.00 0.00 C ATOM 485 O LEU A 47 -26.317 -11.220 -13.521 1.00 0.00 O ATOM 486 CB LEU A 47 -24.842 -10.196 -16.300 1.00 0.00 C ATOM 487 CG LEU A 47 -24.854 -9.007 -15.330 1.00 0.00 C ATOM 488 CD1 LEU A 47 -23.770 -9.197 -14.262 1.00 0.00 C ATOM 489 CD2 LEU A 47 -24.591 -7.714 -16.110 1.00 0.00 C ATOM 0 H LEU A 47 -25.055 -12.364 -17.449 1.00 0.00 H new ATOM 0 HA LEU A 47 -24.216 -11.668 -14.853 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -23.894 -10.227 -16.837 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -25.627 -10.073 -17.046 1.00 0.00 H new ATOM 0 HG LEU A 47 -25.827 -8.946 -14.842 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -23.783 -8.350 -13.576 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -23.962 -10.116 -13.708 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -22.793 -9.260 -14.742 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -24.599 -6.867 -15.424 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -23.619 -7.776 -16.599 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -25.368 -7.579 -16.862 1.00 0.00 H new ATOM 501 N GLY A 48 -27.469 -11.593 -15.410 1.00 0.00 N ATOM 502 CA GLY A 48 -28.760 -11.529 -14.743 1.00 0.00 C ATOM 503 C GLY A 48 -29.029 -12.810 -13.966 1.00 0.00 C ATOM 504 O GLY A 48 -29.942 -12.867 -13.142 1.00 0.00 O ATOM 0 H GLY A 48 -27.515 -11.769 -16.414 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -28.783 -10.675 -14.066 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -29.548 -11.372 -15.480 1.00 0.00 H new ATOM 508 N ASN A 49 -28.219 -13.837 -14.226 1.00 0.00 N ATOM 509 CA ASN A 49 -28.375 -15.114 -13.539 1.00 0.00 C ATOM 510 C ASN A 49 -27.594 -15.126 -12.229 1.00 0.00 C ATOM 511 O ASN A 49 -28.088 -15.598 -11.207 1.00 0.00 O ATOM 512 CB ASN A 49 -27.884 -16.246 -14.432 1.00 0.00 C ATOM 513 CG ASN A 49 -28.752 -16.333 -15.684 1.00 0.00 C ATOM 514 OD1 ASN A 49 -28.305 -16.833 -16.716 1.00 0.00 O ATOM 515 ND2 ASN A 49 -29.974 -15.875 -15.655 1.00 0.00 N ATOM 0 H ASN A 49 -27.455 -13.808 -14.902 1.00 0.00 H new ATOM 0 HA ASN A 49 -29.433 -15.254 -13.316 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -26.844 -16.076 -14.711 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -27.918 -17.190 -13.889 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -30.560 -15.931 -16.488 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -30.343 -15.461 -14.799 1.00 0.00 H new ATOM 522 N CYS A 50 -26.372 -14.608 -12.271 1.00 0.00 N ATOM 523 CA CYS A 50 -25.522 -14.570 -11.088 1.00 0.00 C ATOM 524 C CYS A 50 -25.991 -13.501 -10.103 1.00 0.00 C ATOM 525 O CYS A 50 -25.815 -13.638 -8.893 1.00 0.00 O ATOM 526 CB CYS A 50 -24.072 -14.293 -11.499 1.00 0.00 C ATOM 527 SG CYS A 50 -23.854 -12.530 -11.854 1.00 0.00 S ATOM 0 H CYS A 50 -25.949 -14.210 -13.109 1.00 0.00 H new ATOM 0 HA CYS A 50 -25.585 -15.540 -10.594 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -23.395 -14.598 -10.701 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -23.815 -14.884 -12.378 1.00 0.00 H new ATOM 0 HG CYS A 50 -22.727 -12.122 -11.350 1.00 0.00 H new ATOM 533 N MET A 51 -26.578 -12.434 -10.632 1.00 0.00 N ATOM 534 CA MET A 51 -27.058 -11.342 -9.801 1.00 0.00 C ATOM 535 C MET A 51 -28.205 -11.808 -8.923 1.00 0.00 C ATOM 536 O MET A 51 -28.304 -11.421 -7.759 1.00 0.00 O ATOM 537 CB MET A 51 -27.515 -10.178 -10.689 1.00 0.00 C ATOM 538 CG MET A 51 -26.292 -9.419 -11.215 1.00 0.00 C ATOM 539 SD MET A 51 -25.508 -8.511 -9.859 1.00 0.00 S ATOM 540 CE MET A 51 -26.613 -7.077 -9.852 1.00 0.00 C ATOM 0 H MET A 51 -26.732 -12.304 -11.632 1.00 0.00 H new ATOM 0 HA MET A 51 -26.245 -11.006 -9.158 1.00 0.00 H new ATOM 0 HB2 MET A 51 -28.108 -10.555 -11.523 1.00 0.00 H new ATOM 0 HB3 MET A 51 -28.156 -9.504 -10.121 1.00 0.00 H new ATOM 0 HG2 MET A 51 -25.581 -10.117 -11.657 1.00 0.00 H new ATOM 0 HG3 MET A 51 -26.592 -8.728 -12.003 1.00 0.00 H new ATOM 0 HE1 MET A 51 -26.092 -6.214 -10.268 1.00 0.00 H new ATOM 0 HE2 MET A 51 -27.494 -7.294 -10.455 1.00 0.00 H new ATOM 0 HE3 MET A 51 -26.919 -6.858 -8.829 1.00 0.00 H new ATOM 550 N ARG A 52 -29.077 -12.632 -9.490 1.00 0.00 N ATOM 551 CA ARG A 52 -30.221 -13.137 -8.751 1.00 0.00 C ATOM 552 C ARG A 52 -29.818 -14.286 -7.834 1.00 0.00 C ATOM 553 O ARG A 52 -30.376 -14.445 -6.748 1.00 0.00 O ATOM 554 CB ARG A 52 -31.312 -13.607 -9.714 1.00 0.00 C ATOM 555 CG ARG A 52 -32.548 -14.041 -8.922 1.00 0.00 C ATOM 556 CD ARG A 52 -33.677 -14.390 -9.895 1.00 0.00 C ATOM 557 NE ARG A 52 -33.305 -15.539 -10.710 1.00 0.00 N ATOM 558 CZ ARG A 52 -34.049 -15.920 -11.742 1.00 0.00 C ATOM 559 NH1 ARG A 52 -35.134 -15.260 -12.043 1.00 0.00 N ATOM 560 NH2 ARG A 52 -33.695 -16.953 -12.457 1.00 0.00 N ATOM 0 H ARG A 52 -29.013 -12.962 -10.453 1.00 0.00 H new ATOM 0 HA ARG A 52 -30.607 -12.323 -8.138 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -31.573 -12.804 -10.403 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -30.945 -14.437 -10.317 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -32.310 -14.903 -8.299 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -32.864 -13.241 -8.252 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -34.589 -14.609 -9.340 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -33.891 -13.535 -10.536 1.00 0.00 H new ATOM 0 HE ARG A 52 -32.458 -16.060 -10.484 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -35.410 -14.452 -11.486 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -35.706 -15.552 -12.836 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -32.846 -17.468 -12.223 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -34.267 -17.245 -13.249 1.00 0.00 H new ATOM 574 N THR A 53 -28.864 -15.096 -8.284 1.00 0.00 N ATOM 575 CA THR A 53 -28.419 -16.244 -7.503 1.00 0.00 C ATOM 576 C THR A 53 -28.216 -15.861 -6.046 1.00 0.00 C ATOM 577 O THR A 53 -28.695 -16.544 -5.141 1.00 0.00 O ATOM 578 CB THR A 53 -27.102 -16.768 -8.076 1.00 0.00 C ATOM 579 OG1 THR A 53 -27.221 -16.933 -9.482 1.00 0.00 O ATOM 580 CG2 THR A 53 -26.754 -18.107 -7.430 1.00 0.00 C ATOM 0 H THR A 53 -28.388 -14.980 -9.178 1.00 0.00 H new ATOM 0 HA THR A 53 -29.185 -17.018 -7.556 1.00 0.00 H new ATOM 0 HB THR A 53 -26.310 -16.050 -7.864 1.00 0.00 H new ATOM 0 HG1 THR A 53 -27.389 -16.063 -9.900 1.00 0.00 H new ATOM 0 HG21 THR A 53 -25.815 -18.476 -7.842 1.00 0.00 H new ATOM 0 HG22 THR A 53 -26.651 -17.976 -6.353 1.00 0.00 H new ATOM 0 HG23 THR A 53 -27.547 -18.826 -7.634 1.00 0.00 H new ATOM 588 N MET A 54 -27.510 -14.765 -5.828 1.00 0.00 N ATOM 589 CA MET A 54 -27.255 -14.295 -4.468 1.00 0.00 C ATOM 590 C MET A 54 -26.723 -12.861 -4.478 1.00 0.00 C ATOM 591 O MET A 54 -26.494 -12.270 -3.425 1.00 0.00 O ATOM 592 CB MET A 54 -26.239 -15.217 -3.781 1.00 0.00 C ATOM 593 CG MET A 54 -26.253 -14.976 -2.266 1.00 0.00 C ATOM 594 SD MET A 54 -25.259 -16.247 -1.444 1.00 0.00 S ATOM 595 CE MET A 54 -23.674 -15.379 -1.524 1.00 0.00 C ATOM 0 H MET A 54 -27.105 -14.186 -6.563 1.00 0.00 H new ATOM 0 HA MET A 54 -28.195 -14.312 -3.917 1.00 0.00 H new ATOM 0 HB2 MET A 54 -26.479 -16.259 -3.994 1.00 0.00 H new ATOM 0 HB3 MET A 54 -25.241 -15.032 -4.178 1.00 0.00 H new ATOM 0 HG2 MET A 54 -25.856 -13.986 -2.041 1.00 0.00 H new ATOM 0 HG3 MET A 54 -27.277 -15.001 -1.892 1.00 0.00 H new ATOM 0 HE1 MET A 54 -22.899 -15.993 -1.064 1.00 0.00 H new ATOM 0 HE2 MET A 54 -23.416 -15.189 -2.566 1.00 0.00 H new ATOM 0 HE3 MET A 54 -23.751 -14.432 -0.990 1.00 0.00 H new ATOM 605 N GLY A 55 -26.538 -12.305 -5.673 1.00 0.00 N ATOM 606 CA GLY A 55 -26.041 -10.950 -5.805 1.00 0.00 C ATOM 607 C GLY A 55 -26.912 -9.983 -5.018 1.00 0.00 C ATOM 608 O GLY A 55 -26.945 -10.020 -3.791 1.00 0.00 O ATOM 0 H GLY A 55 -26.726 -12.776 -6.558 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -25.013 -10.897 -5.446 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -26.027 -10.663 -6.856 1.00 0.00 H new ATOM 612 N TYR A 56 -27.609 -9.110 -5.730 1.00 0.00 N ATOM 613 CA TYR A 56 -28.479 -8.123 -5.086 1.00 0.00 C ATOM 614 C TYR A 56 -29.865 -8.174 -5.690 1.00 0.00 C ATOM 615 O TYR A 56 -30.055 -7.744 -6.830 1.00 0.00 O ATOM 616 CB TYR A 56 -27.902 -6.719 -5.272 1.00 0.00 C ATOM 617 CG TYR A 56 -28.741 -5.727 -4.500 1.00 0.00 C ATOM 618 CD1 TYR A 56 -28.551 -5.578 -3.121 1.00 0.00 C ATOM 619 CD2 TYR A 56 -29.706 -4.956 -5.161 1.00 0.00 C ATOM 620 CE1 TYR A 56 -29.326 -4.659 -2.403 1.00 0.00 C ATOM 621 CE2 TYR A 56 -30.481 -4.039 -4.443 1.00 0.00 C ATOM 622 CZ TYR A 56 -30.291 -3.890 -3.063 1.00 0.00 C ATOM 623 OH TYR A 56 -31.055 -2.985 -2.354 1.00 0.00 O ATOM 0 H TYR A 56 -27.593 -9.060 -6.749 1.00 0.00 H new ATOM 0 HA TYR A 56 -28.540 -8.356 -4.023 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -26.870 -6.689 -4.923 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -27.889 -6.456 -6.330 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -27.807 -6.172 -2.611 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -29.852 -5.070 -6.225 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -29.179 -4.544 -1.339 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -31.226 -3.446 -4.953 1.00 0.00 H new ATOM 0 HH TYR A 56 -31.676 -2.533 -2.963 1.00 0.00 H new ATOM 633 N MET A 57 -30.828 -8.697 -4.917 1.00 0.00 N ATOM 634 CA MET A 57 -32.216 -8.814 -5.373 1.00 0.00 C ATOM 635 C MET A 57 -32.548 -7.724 -6.399 1.00 0.00 C ATOM 636 O MET A 57 -32.936 -6.614 -6.029 1.00 0.00 O ATOM 637 CB MET A 57 -33.170 -8.700 -4.188 1.00 0.00 C ATOM 638 CG MET A 57 -33.009 -9.932 -3.295 1.00 0.00 C ATOM 639 SD MET A 57 -34.138 -9.806 -1.888 1.00 0.00 S ATOM 640 CE MET A 57 -33.685 -11.365 -1.094 1.00 0.00 C ATOM 0 H MET A 57 -30.668 -9.046 -3.972 1.00 0.00 H new ATOM 0 HA MET A 57 -32.334 -9.789 -5.845 1.00 0.00 H new ATOM 0 HB2 MET A 57 -32.958 -7.794 -3.620 1.00 0.00 H new ATOM 0 HB3 MET A 57 -34.199 -8.622 -4.540 1.00 0.00 H new ATOM 0 HG2 MET A 57 -33.220 -10.837 -3.864 1.00 0.00 H new ATOM 0 HG3 MET A 57 -31.980 -10.008 -2.944 1.00 0.00 H new ATOM 0 HE1 MET A 57 -34.273 -11.495 -0.185 1.00 0.00 H new ATOM 0 HE2 MET A 57 -33.884 -12.192 -1.776 1.00 0.00 H new ATOM 0 HE3 MET A 57 -32.625 -11.350 -0.841 1.00 0.00 H new ATOM 650 N PRO A 58 -32.382 -8.013 -7.668 1.00 0.00 N ATOM 651 CA PRO A 58 -32.642 -7.034 -8.755 1.00 0.00 C ATOM 652 C PRO A 58 -34.124 -6.956 -9.107 1.00 0.00 C ATOM 653 O PRO A 58 -34.869 -7.913 -8.907 1.00 0.00 O ATOM 654 CB PRO A 58 -31.811 -7.573 -9.927 1.00 0.00 C ATOM 655 CG PRO A 58 -31.730 -9.059 -9.712 1.00 0.00 C ATOM 656 CD PRO A 58 -31.939 -9.312 -8.210 1.00 0.00 C ATOM 0 HA PRO A 58 -32.371 -6.016 -8.476 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -32.282 -7.340 -10.882 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -30.818 -7.124 -9.943 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -32.490 -9.575 -10.299 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -30.763 -9.443 -10.036 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -32.686 -10.087 -8.039 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -31.018 -9.646 -7.733 1.00 0.00 H new ATOM 664 N THR A 59 -34.539 -5.812 -9.640 1.00 0.00 N ATOM 665 CA THR A 59 -35.935 -5.620 -10.026 1.00 0.00 C ATOM 666 C THR A 59 -36.165 -6.113 -11.452 1.00 0.00 C ATOM 667 O THR A 59 -35.389 -6.909 -11.980 1.00 0.00 O ATOM 668 CB THR A 59 -36.313 -4.133 -9.910 1.00 0.00 C ATOM 669 OG1 THR A 59 -35.430 -3.494 -9.001 1.00 0.00 O ATOM 670 CG2 THR A 59 -37.753 -3.996 -9.401 1.00 0.00 C ATOM 0 H THR A 59 -33.935 -5.008 -9.814 1.00 0.00 H new ATOM 0 HA THR A 59 -36.567 -6.199 -9.353 1.00 0.00 H new ATOM 0 HB THR A 59 -36.235 -3.666 -10.892 1.00 0.00 H new ATOM 0 HG1 THR A 59 -35.667 -2.546 -8.926 1.00 0.00 H new ATOM 0 HG21 THR A 59 -38.012 -2.940 -9.322 1.00 0.00 H new ATOM 0 HG22 THR A 59 -38.433 -4.485 -10.098 1.00 0.00 H new ATOM 0 HG23 THR A 59 -37.839 -4.465 -8.421 1.00 0.00 H new ATOM 678 N GLU A 60 -37.238 -5.625 -12.068 1.00 0.00 N ATOM 679 CA GLU A 60 -37.566 -6.015 -13.432 1.00 0.00 C ATOM 680 C GLU A 60 -36.750 -5.197 -14.426 1.00 0.00 C ATOM 681 O GLU A 60 -36.070 -5.746 -15.292 1.00 0.00 O ATOM 682 CB GLU A 60 -39.059 -5.804 -13.692 1.00 0.00 C ATOM 683 CG GLU A 60 -39.417 -6.354 -15.074 1.00 0.00 C ATOM 684 CD GLU A 60 -40.908 -6.174 -15.338 1.00 0.00 C ATOM 685 OE1 GLU A 60 -41.629 -5.911 -14.389 1.00 0.00 O ATOM 686 OE2 GLU A 60 -41.306 -6.301 -16.483 1.00 0.00 O ATOM 0 H GLU A 60 -37.890 -4.963 -11.646 1.00 0.00 H new ATOM 0 HA GLU A 60 -37.325 -7.070 -13.560 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -39.648 -6.307 -12.925 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -39.303 -4.743 -13.636 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -38.839 -5.838 -15.841 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -39.154 -7.410 -15.133 1.00 0.00 H new ATOM 693 N MET A 61 -36.818 -3.882 -14.288 1.00 0.00 N ATOM 694 CA MET A 61 -36.079 -2.988 -15.173 1.00 0.00 C ATOM 695 C MET A 61 -34.604 -2.965 -14.796 1.00 0.00 C ATOM 696 O MET A 61 -33.741 -2.739 -15.640 1.00 0.00 O ATOM 697 CB MET A 61 -36.659 -1.568 -15.105 1.00 0.00 C ATOM 698 CG MET A 61 -37.969 -1.509 -15.896 1.00 0.00 C ATOM 699 SD MET A 61 -38.706 0.136 -15.718 1.00 0.00 S ATOM 700 CE MET A 61 -37.458 1.058 -16.650 1.00 0.00 C ATOM 0 H MET A 61 -37.374 -3.409 -13.576 1.00 0.00 H new ATOM 0 HA MET A 61 -36.175 -3.360 -16.193 1.00 0.00 H new ATOM 0 HB2 MET A 61 -36.836 -1.286 -14.067 1.00 0.00 H new ATOM 0 HB3 MET A 61 -35.944 -0.853 -15.512 1.00 0.00 H new ATOM 0 HG2 MET A 61 -37.781 -1.724 -16.948 1.00 0.00 H new ATOM 0 HG3 MET A 61 -38.660 -2.270 -15.534 1.00 0.00 H new ATOM 0 HE1 MET A 61 -37.901 1.971 -17.047 1.00 0.00 H new ATOM 0 HE2 MET A 61 -36.628 1.314 -15.992 1.00 0.00 H new ATOM 0 HE3 MET A 61 -37.093 0.445 -17.474 1.00 0.00 H new ATOM 710 N GLU A 62 -34.325 -3.203 -13.523 1.00 0.00 N ATOM 711 CA GLU A 62 -32.950 -3.207 -13.046 1.00 0.00 C ATOM 712 C GLU A 62 -32.223 -4.448 -13.545 1.00 0.00 C ATOM 713 O GLU A 62 -30.993 -4.503 -13.564 1.00 0.00 O ATOM 714 CB GLU A 62 -32.925 -3.174 -11.516 1.00 0.00 C ATOM 715 CG GLU A 62 -31.527 -2.782 -11.030 1.00 0.00 C ATOM 716 CD GLU A 62 -31.279 -1.304 -11.307 1.00 0.00 C ATOM 717 OE1 GLU A 62 -32.207 -0.637 -11.734 1.00 0.00 O ATOM 718 OE2 GLU A 62 -30.163 -0.861 -11.091 1.00 0.00 O ATOM 0 H GLU A 62 -35.026 -3.394 -12.807 1.00 0.00 H new ATOM 0 HA GLU A 62 -32.445 -2.321 -13.431 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -33.662 -2.461 -11.146 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -33.198 -4.151 -11.117 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -31.434 -2.982 -9.963 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -30.774 -3.387 -11.534 1.00 0.00 H new ATOM 725 N LEU A 63 -32.992 -5.457 -13.945 1.00 0.00 N ATOM 726 CA LEU A 63 -32.408 -6.698 -14.438 1.00 0.00 C ATOM 727 C LEU A 63 -32.351 -6.692 -15.958 1.00 0.00 C ATOM 728 O LEU A 63 -31.509 -7.361 -16.556 1.00 0.00 O ATOM 729 CB LEU A 63 -33.245 -7.893 -13.969 1.00 0.00 C ATOM 730 CG LEU A 63 -32.531 -9.205 -14.332 1.00 0.00 C ATOM 731 CD1 LEU A 63 -31.190 -9.311 -13.575 1.00 0.00 C ATOM 732 CD2 LEU A 63 -33.430 -10.391 -13.962 1.00 0.00 C ATOM 0 H LEU A 63 -34.012 -5.440 -13.937 1.00 0.00 H new ATOM 0 HA LEU A 63 -31.396 -6.782 -14.043 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -33.400 -7.839 -12.891 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -34.230 -7.864 -14.435 1.00 0.00 H new ATOM 0 HG LEU A 63 -32.330 -9.218 -15.403 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -30.695 -10.245 -13.841 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -30.551 -8.471 -13.847 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -31.376 -9.292 -12.501 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -32.926 -11.323 -14.218 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -33.635 -10.372 -12.892 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -34.368 -10.322 -14.513 1.00 0.00 H new ATOM 744 N ILE A 64 -33.257 -5.940 -16.582 1.00 0.00 N ATOM 745 CA ILE A 64 -33.305 -5.868 -18.039 1.00 0.00 C ATOM 746 C ILE A 64 -32.555 -4.648 -18.547 1.00 0.00 C ATOM 747 O ILE A 64 -31.519 -4.772 -19.192 1.00 0.00 O ATOM 748 CB ILE A 64 -34.757 -5.802 -18.504 1.00 0.00 C ATOM 749 CG1 ILE A 64 -35.492 -7.070 -18.062 1.00 0.00 C ATOM 750 CG2 ILE A 64 -34.797 -5.700 -20.030 1.00 0.00 C ATOM 751 CD1 ILE A 64 -36.998 -6.877 -18.245 1.00 0.00 C ATOM 0 H ILE A 64 -33.961 -5.377 -16.105 1.00 0.00 H new ATOM 0 HA ILE A 64 -32.828 -6.762 -18.442 1.00 0.00 H new ATOM 0 HB ILE A 64 -35.240 -4.929 -18.066 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -35.150 -7.924 -18.647 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -35.267 -7.288 -17.018 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -35.833 -5.653 -20.364 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -34.272 -4.800 -20.348 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -34.315 -6.575 -20.466 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -37.521 -7.780 -17.930 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -37.333 -6.034 -17.641 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -37.215 -6.679 -19.295 1.00 0.00 H new ATOM 763 N GLU A 65 -33.090 -3.470 -18.254 1.00 0.00 N ATOM 764 CA GLU A 65 -32.468 -2.229 -18.698 1.00 0.00 C ATOM 765 C GLU A 65 -30.973 -2.263 -18.430 1.00 0.00 C ATOM 766 O GLU A 65 -30.173 -1.852 -19.268 1.00 0.00 O ATOM 767 CB GLU A 65 -33.089 -1.036 -17.965 1.00 0.00 C ATOM 768 CG GLU A 65 -32.589 0.268 -18.589 1.00 0.00 C ATOM 769 CD GLU A 65 -33.236 1.459 -17.888 1.00 0.00 C ATOM 770 OE1 GLU A 65 -34.229 1.256 -17.209 1.00 0.00 O ATOM 771 OE2 GLU A 65 -32.730 2.558 -18.044 1.00 0.00 O ATOM 0 H GLU A 65 -33.947 -3.347 -17.715 1.00 0.00 H new ATOM 0 HA GLU A 65 -32.638 -2.123 -19.769 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -34.176 -1.086 -18.025 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -32.826 -1.069 -16.908 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -31.504 0.330 -18.504 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -32.827 0.287 -19.653 1.00 0.00 H new ATOM 778 N LEU A 66 -30.599 -2.748 -17.254 1.00 0.00 N ATOM 779 CA LEU A 66 -29.190 -2.814 -16.894 1.00 0.00 C ATOM 780 C LEU A 66 -28.441 -3.783 -17.804 1.00 0.00 C ATOM 781 O LEU A 66 -27.624 -3.374 -18.627 1.00 0.00 O ATOM 782 CB LEU A 66 -29.045 -3.261 -15.427 1.00 0.00 C ATOM 783 CG LEU A 66 -27.747 -2.693 -14.830 1.00 0.00 C ATOM 784 CD1 LEU A 66 -26.556 -3.094 -15.715 1.00 0.00 C ATOM 785 CD2 LEU A 66 -27.839 -1.148 -14.733 1.00 0.00 C ATOM 0 H LEU A 66 -31.241 -3.097 -16.542 1.00 0.00 H new ATOM 0 HA LEU A 66 -28.758 -1.821 -17.017 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -29.902 -2.918 -14.847 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -29.036 -4.349 -15.369 1.00 0.00 H new ATOM 0 HG LEU A 66 -27.604 -3.099 -13.829 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -25.636 -2.691 -15.291 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -26.488 -4.181 -15.763 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -26.698 -2.695 -16.719 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -26.915 -0.754 -14.309 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -27.989 -0.729 -15.728 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -28.678 -0.873 -14.094 1.00 0.00 H new ATOM 797 N SER A 67 -28.724 -5.067 -17.644 1.00 0.00 N ATOM 798 CA SER A 67 -28.068 -6.088 -18.445 1.00 0.00 C ATOM 799 C SER A 67 -28.222 -5.771 -19.920 1.00 0.00 C ATOM 800 O SER A 67 -27.559 -6.369 -20.764 1.00 0.00 O ATOM 801 CB SER A 67 -28.674 -7.461 -18.131 1.00 0.00 C ATOM 802 OG SER A 67 -28.210 -7.905 -16.861 1.00 0.00 O ATOM 0 H SER A 67 -29.400 -5.425 -16.970 1.00 0.00 H new ATOM 0 HA SER A 67 -27.006 -6.106 -18.202 1.00 0.00 H new ATOM 0 HB2 SER A 67 -29.762 -7.399 -18.131 1.00 0.00 H new ATOM 0 HB3 SER A 67 -28.396 -8.178 -18.903 1.00 0.00 H new ATOM 0 HG SER A 67 -28.598 -8.782 -16.659 1.00 0.00 H new ATOM 808 N GLN A 68 -29.096 -4.822 -20.228 1.00 0.00 N ATOM 809 CA GLN A 68 -29.321 -4.423 -21.614 1.00 0.00 C ATOM 810 C GLN A 68 -28.487 -3.197 -21.955 1.00 0.00 C ATOM 811 O GLN A 68 -28.199 -2.939 -23.122 1.00 0.00 O ATOM 812 CB GLN A 68 -30.813 -4.118 -21.832 1.00 0.00 C ATOM 813 CG GLN A 68 -31.055 -3.760 -23.297 1.00 0.00 C ATOM 814 CD GLN A 68 -32.550 -3.638 -23.567 1.00 0.00 C ATOM 815 OE1 GLN A 68 -33.367 -4.128 -22.788 1.00 0.00 O ATOM 816 NE2 GLN A 68 -32.962 -3.007 -24.634 1.00 0.00 N ATOM 0 H GLN A 68 -29.658 -4.316 -19.543 1.00 0.00 H new ATOM 0 HA GLN A 68 -29.021 -5.242 -22.268 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -31.416 -4.983 -21.554 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -31.124 -3.294 -21.190 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -30.557 -2.821 -23.537 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -30.622 -4.524 -23.942 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -32.285 -2.601 -25.280 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -33.961 -2.920 -24.821 1.00 0.00 H new ATOM 825 N GLN A 69 -28.072 -2.469 -20.928 1.00 0.00 N ATOM 826 CA GLN A 69 -27.234 -1.294 -21.130 1.00 0.00 C ATOM 827 C GLN A 69 -25.802 -1.743 -21.387 1.00 0.00 C ATOM 828 O GLN A 69 -25.112 -1.200 -22.247 1.00 0.00 O ATOM 829 CB GLN A 69 -27.299 -0.376 -19.912 1.00 0.00 C ATOM 830 CG GLN A 69 -26.429 0.856 -20.161 1.00 0.00 C ATOM 831 CD GLN A 69 -26.671 1.892 -19.069 1.00 0.00 C ATOM 832 OE1 GLN A 69 -27.676 1.822 -18.363 1.00 0.00 O ATOM 833 NE2 GLN A 69 -25.808 2.852 -18.891 1.00 0.00 N ATOM 0 H GLN A 69 -28.299 -2.668 -19.954 1.00 0.00 H new ATOM 0 HA GLN A 69 -27.596 -0.733 -21.991 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -28.330 -0.075 -19.723 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -26.954 -0.906 -19.024 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -25.377 0.572 -20.178 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -26.659 1.283 -21.137 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -24.976 2.906 -19.479 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -25.964 3.550 -18.164 1.00 0.00 H new ATOM 842 N ILE A 70 -25.370 -2.750 -20.633 1.00 0.00 N ATOM 843 CA ILE A 70 -24.029 -3.287 -20.785 1.00 0.00 C ATOM 844 C ILE A 70 -23.853 -3.843 -22.194 1.00 0.00 C ATOM 845 O ILE A 70 -22.785 -3.710 -22.793 1.00 0.00 O ATOM 846 CB ILE A 70 -23.772 -4.392 -19.757 1.00 0.00 C ATOM 847 CG1 ILE A 70 -23.727 -3.781 -18.355 1.00 0.00 C ATOM 848 CG2 ILE A 70 -22.426 -5.067 -20.053 1.00 0.00 C ATOM 849 CD1 ILE A 70 -23.761 -4.905 -17.315 1.00 0.00 C ATOM 0 H ILE A 70 -25.930 -3.207 -19.914 1.00 0.00 H new ATOM 0 HA ILE A 70 -23.311 -2.483 -20.619 1.00 0.00 H new ATOM 0 HB ILE A 70 -24.572 -5.130 -19.813 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -22.823 -3.184 -18.234 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -24.573 -3.110 -18.210 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -22.244 -5.853 -19.320 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -22.449 -5.501 -21.053 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -21.628 -4.327 -19.996 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -23.729 -4.475 -16.314 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -24.678 -5.482 -17.433 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -22.900 -5.558 -17.457 1.00 0.00 H new ATOM 861 N ASN A 71 -24.908 -4.476 -22.715 1.00 0.00 N ATOM 862 CA ASN A 71 -24.836 -5.057 -24.048 1.00 0.00 C ATOM 863 C ASN A 71 -24.243 -4.054 -25.036 1.00 0.00 C ATOM 864 O ASN A 71 -23.442 -4.417 -25.895 1.00 0.00 O ATOM 865 CB ASN A 71 -26.242 -5.447 -24.504 1.00 0.00 C ATOM 866 CG ASN A 71 -26.700 -6.696 -23.761 1.00 0.00 C ATOM 867 OD1 ASN A 71 -25.879 -7.430 -23.210 1.00 0.00 O ATOM 868 ND2 ASN A 71 -27.973 -6.981 -23.706 1.00 0.00 N ATOM 0 H ASN A 71 -25.803 -4.595 -22.241 1.00 0.00 H new ATOM 0 HA ASN A 71 -24.196 -5.939 -24.016 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -26.935 -4.627 -24.316 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -26.248 -5.630 -25.579 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -28.288 -7.812 -23.206 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -28.652 -6.372 -24.163 1.00 0.00 H new ATOM 875 N MET A 72 -24.634 -2.790 -24.905 1.00 0.00 N ATOM 876 CA MET A 72 -24.123 -1.747 -25.786 1.00 0.00 C ATOM 877 C MET A 72 -22.602 -1.767 -25.777 1.00 0.00 C ATOM 878 O MET A 72 -22.009 -2.423 -24.931 1.00 0.00 O ATOM 879 CB MET A 72 -24.622 -0.381 -25.326 1.00 0.00 C ATOM 880 CG MET A 72 -26.132 -0.295 -25.554 1.00 0.00 C ATOM 881 SD MET A 72 -26.741 1.303 -24.964 1.00 0.00 S ATOM 882 CE MET A 72 -28.420 1.162 -25.621 1.00 0.00 C ATOM 0 H MET A 72 -25.298 -2.465 -24.202 1.00 0.00 H new ATOM 0 HA MET A 72 -24.481 -1.932 -26.799 1.00 0.00 H new ATOM 0 HB2 MET A 72 -24.392 -0.233 -24.271 1.00 0.00 H new ATOM 0 HB3 MET A 72 -24.113 0.410 -25.877 1.00 0.00 H new ATOM 0 HG2 MET A 72 -26.358 -0.414 -26.614 1.00 0.00 H new ATOM 0 HG3 MET A 72 -26.637 -1.105 -25.028 1.00 0.00 H new ATOM 0 HE1 MET A 72 -28.986 2.059 -25.368 1.00 0.00 H new ATOM 0 HE2 MET A 72 -28.379 1.052 -26.705 1.00 0.00 H new ATOM 0 HE3 MET A 72 -28.909 0.290 -25.187 1.00 0.00 H new ATOM 892 N ASN A 73 -21.992 -1.036 -26.710 1.00 0.00 N ATOM 893 CA ASN A 73 -20.537 -0.959 -26.817 1.00 0.00 C ATOM 894 C ASN A 73 -19.919 -2.351 -26.848 1.00 0.00 C ATOM 895 O ASN A 73 -19.426 -2.808 -27.878 1.00 0.00 O ATOM 896 CB ASN A 73 -19.972 -0.168 -25.637 1.00 0.00 C ATOM 897 CG ASN A 73 -20.429 1.288 -25.715 1.00 0.00 C ATOM 898 OD1 ASN A 73 -20.705 1.799 -26.800 1.00 0.00 O ATOM 899 ND2 ASN A 73 -20.526 1.989 -24.617 1.00 0.00 N ATOM 0 H ASN A 73 -22.490 -0.484 -27.408 1.00 0.00 H new ATOM 0 HA ASN A 73 -20.288 -0.452 -27.749 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -20.305 -0.612 -24.699 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -18.883 -0.217 -25.644 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -20.831 2.961 -24.658 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -20.297 1.564 -23.719 1.00 0.00 H new ATOM 906 N LEU A 74 -19.969 -3.017 -25.716 1.00 0.00 N ATOM 907 CA LEU A 74 -19.421 -4.365 -25.593 1.00 0.00 C ATOM 908 C LEU A 74 -20.089 -5.299 -26.593 1.00 0.00 C ATOM 909 O LEU A 74 -19.462 -6.228 -27.101 1.00 0.00 O ATOM 910 CB LEU A 74 -19.639 -4.894 -24.172 1.00 0.00 C ATOM 911 CG LEU A 74 -18.739 -4.122 -23.181 1.00 0.00 C ATOM 912 CD1 LEU A 74 -19.395 -4.093 -21.792 1.00 0.00 C ATOM 913 CD2 LEU A 74 -17.367 -4.811 -23.082 1.00 0.00 C ATOM 0 H LEU A 74 -20.384 -2.652 -24.859 1.00 0.00 H new ATOM 0 HA LEU A 74 -18.352 -4.325 -25.802 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -20.686 -4.782 -23.889 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -19.410 -5.959 -24.132 1.00 0.00 H new ATOM 0 HG LEU A 74 -18.610 -3.101 -23.541 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -18.755 -3.547 -21.099 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -20.364 -3.598 -21.858 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -19.532 -5.113 -21.433 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -16.735 -4.264 -22.382 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -17.498 -5.834 -22.729 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -16.895 -4.824 -24.064 1.00 0.00 H new ATOM 925 N GLY A 75 -21.359 -5.047 -26.873 1.00 0.00 N ATOM 926 CA GLY A 75 -22.095 -5.868 -27.822 1.00 0.00 C ATOM 927 C GLY A 75 -22.339 -7.269 -27.278 1.00 0.00 C ATOM 928 O GLY A 75 -22.113 -8.262 -27.968 1.00 0.00 O ATOM 0 H GLY A 75 -21.898 -4.286 -26.460 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -23.050 -5.394 -28.050 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -21.539 -5.932 -28.757 1.00 0.00 H new ATOM 932 N GLY A 76 -22.799 -7.341 -26.035 1.00 0.00 N ATOM 933 CA GLY A 76 -23.074 -8.628 -25.410 1.00 0.00 C ATOM 934 C GLY A 76 -21.789 -9.301 -24.943 1.00 0.00 C ATOM 935 O GLY A 76 -21.480 -10.423 -25.349 1.00 0.00 O ATOM 0 H GLY A 76 -22.988 -6.531 -25.445 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -23.743 -8.487 -24.561 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -23.590 -9.276 -26.118 1.00 0.00 H new ATOM 939 N HIS A 77 -21.043 -8.615 -24.088 1.00 0.00 N ATOM 940 CA HIS A 77 -19.796 -9.160 -23.565 1.00 0.00 C ATOM 941 C HIS A 77 -19.421 -8.470 -22.266 1.00 0.00 C ATOM 942 O HIS A 77 -19.423 -7.245 -22.183 1.00 0.00 O ATOM 943 CB HIS A 77 -18.673 -8.983 -24.595 1.00 0.00 C ATOM 944 CG HIS A 77 -18.835 -9.995 -25.694 1.00 0.00 C ATOM 945 ND1 HIS A 77 -18.456 -11.317 -25.538 1.00 0.00 N ATOM 946 CD2 HIS A 77 -19.339 -9.895 -26.967 1.00 0.00 C ATOM 947 CE1 HIS A 77 -18.733 -11.955 -26.688 1.00 0.00 C ATOM 948 NE2 HIS A 77 -19.274 -11.135 -27.594 1.00 0.00 N ATOM 0 H HIS A 77 -21.277 -7.684 -23.743 1.00 0.00 H new ATOM 0 HA HIS A 77 -19.935 -10.223 -23.369 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -18.700 -7.975 -25.008 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -17.702 -9.105 -24.115 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -19.727 -8.991 -27.414 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -18.541 -13.004 -26.859 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -19.574 -11.368 -28.541 1.00 0.00 H new ATOM 956 N VAL A 78 -19.092 -9.262 -21.250 1.00 0.00 N ATOM 957 CA VAL A 78 -18.705 -8.705 -19.949 1.00 0.00 C ATOM 958 C VAL A 78 -17.505 -9.456 -19.380 1.00 0.00 C ATOM 959 O VAL A 78 -17.446 -10.682 -19.431 1.00 0.00 O ATOM 960 CB VAL A 78 -19.889 -8.798 -18.977 1.00 0.00 C ATOM 961 CG1 VAL A 78 -19.541 -8.090 -17.666 1.00 0.00 C ATOM 962 CG2 VAL A 78 -21.122 -8.146 -19.612 1.00 0.00 C ATOM 0 H VAL A 78 -19.084 -10.281 -21.296 1.00 0.00 H new ATOM 0 HA VAL A 78 -18.426 -7.660 -20.083 1.00 0.00 H new ATOM 0 HB VAL A 78 -20.104 -9.846 -18.766 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -20.385 -8.159 -16.980 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -18.668 -8.564 -17.217 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -19.321 -7.041 -17.866 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -21.964 -8.211 -18.923 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -20.910 -7.099 -19.827 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -21.371 -8.664 -20.538 1.00 0.00 H new ATOM 972 N ASP A 79 -16.549 -8.705 -18.830 1.00 0.00 N ATOM 973 CA ASP A 79 -15.347 -9.294 -18.236 1.00 0.00 C ATOM 974 C ASP A 79 -15.434 -9.250 -16.724 1.00 0.00 C ATOM 975 O ASP A 79 -16.109 -8.395 -16.152 1.00 0.00 O ATOM 976 CB ASP A 79 -14.109 -8.532 -18.709 1.00 0.00 C ATOM 977 CG ASP A 79 -14.112 -8.428 -20.233 1.00 0.00 C ATOM 978 OD1 ASP A 79 -14.397 -9.425 -20.877 1.00 0.00 O ATOM 979 OD2 ASP A 79 -13.831 -7.351 -20.733 1.00 0.00 O ATOM 0 H ASP A 79 -16.584 -7.687 -18.784 1.00 0.00 H new ATOM 0 HA ASP A 79 -15.270 -10.334 -18.553 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -14.094 -7.535 -18.268 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -13.207 -9.043 -18.373 1.00 0.00 H new ATOM 984 N PHE A 80 -14.751 -10.190 -16.078 1.00 0.00 N ATOM 985 CA PHE A 80 -14.762 -10.258 -14.624 1.00 0.00 C ATOM 986 C PHE A 80 -14.629 -8.864 -14.034 1.00 0.00 C ATOM 987 O PHE A 80 -15.134 -8.591 -12.945 1.00 0.00 O ATOM 988 CB PHE A 80 -13.611 -11.142 -14.132 1.00 0.00 C ATOM 989 CG PHE A 80 -13.578 -11.137 -12.619 1.00 0.00 C ATOM 990 CD1 PHE A 80 -14.666 -11.643 -11.895 1.00 0.00 C ATOM 991 CD2 PHE A 80 -12.465 -10.628 -11.937 1.00 0.00 C ATOM 992 CE1 PHE A 80 -14.644 -11.638 -10.497 1.00 0.00 C ATOM 993 CE2 PHE A 80 -12.441 -10.624 -10.536 1.00 0.00 C ATOM 994 CZ PHE A 80 -13.531 -11.131 -9.817 1.00 0.00 C ATOM 0 H PHE A 80 -14.189 -10.908 -16.535 1.00 0.00 H new ATOM 0 HA PHE A 80 -15.708 -10.691 -14.300 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -13.738 -12.160 -14.500 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -12.663 -10.776 -14.528 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -15.524 -12.038 -12.419 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -11.624 -10.238 -12.492 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -15.486 -12.025 -9.942 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -11.583 -10.230 -10.011 1.00 0.00 H new ATOM 0 HZ PHE A 80 -13.512 -11.131 -8.737 1.00 0.00 H new ATOM 1004 N ASP A 81 -13.945 -7.982 -14.755 1.00 0.00 N ATOM 1005 CA ASP A 81 -13.753 -6.618 -14.282 1.00 0.00 C ATOM 1006 C ASP A 81 -15.059 -5.849 -14.368 1.00 0.00 C ATOM 1007 O ASP A 81 -15.483 -5.222 -13.403 1.00 0.00 O ATOM 1008 CB ASP A 81 -12.680 -5.916 -15.119 1.00 0.00 C ATOM 1009 CG ASP A 81 -11.300 -6.475 -14.785 1.00 0.00 C ATOM 1010 OD1 ASP A 81 -11.192 -7.186 -13.800 1.00 0.00 O ATOM 1011 OD2 ASP A 81 -10.369 -6.182 -15.520 1.00 0.00 O ATOM 0 H ASP A 81 -13.519 -8.185 -15.659 1.00 0.00 H new ATOM 0 HA ASP A 81 -13.427 -6.650 -13.243 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -12.889 -6.053 -16.180 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -12.702 -4.843 -14.926 1.00 0.00 H new ATOM 1016 N ASP A 82 -15.697 -5.910 -15.530 1.00 0.00 N ATOM 1017 CA ASP A 82 -16.957 -5.221 -15.725 1.00 0.00 C ATOM 1018 C ASP A 82 -18.009 -5.782 -14.776 1.00 0.00 C ATOM 1019 O ASP A 82 -18.802 -5.041 -14.199 1.00 0.00 O ATOM 1020 CB ASP A 82 -17.423 -5.375 -17.174 1.00 0.00 C ATOM 1021 CG ASP A 82 -16.562 -4.521 -18.098 1.00 0.00 C ATOM 1022 OD1 ASP A 82 -15.831 -3.686 -17.593 1.00 0.00 O ATOM 1023 OD2 ASP A 82 -16.651 -4.711 -19.299 1.00 0.00 O ATOM 0 H ASP A 82 -15.362 -6.427 -16.343 1.00 0.00 H new ATOM 0 HA ASP A 82 -16.816 -4.161 -15.512 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -17.363 -6.421 -17.474 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -18.468 -5.078 -17.261 1.00 0.00 H new ATOM 1028 N PHE A 83 -17.999 -7.096 -14.609 1.00 0.00 N ATOM 1029 CA PHE A 83 -18.947 -7.742 -13.714 1.00 0.00 C ATOM 1030 C PHE A 83 -18.756 -7.230 -12.288 1.00 0.00 C ATOM 1031 O PHE A 83 -19.720 -6.884 -11.606 1.00 0.00 O ATOM 1032 CB PHE A 83 -18.747 -9.263 -13.758 1.00 0.00 C ATOM 1033 CG PHE A 83 -19.469 -9.913 -12.594 1.00 0.00 C ATOM 1034 CD1 PHE A 83 -20.838 -9.688 -12.404 1.00 0.00 C ATOM 1035 CD2 PHE A 83 -18.764 -10.727 -11.697 1.00 0.00 C ATOM 1036 CE1 PHE A 83 -21.500 -10.278 -11.323 1.00 0.00 C ATOM 1037 CE2 PHE A 83 -19.427 -11.315 -10.617 1.00 0.00 C ATOM 1038 CZ PHE A 83 -20.795 -11.093 -10.428 1.00 0.00 C ATOM 0 H PHE A 83 -17.352 -7.731 -15.076 1.00 0.00 H new ATOM 0 HA PHE A 83 -19.960 -7.505 -14.038 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -19.125 -9.661 -14.700 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -17.684 -9.500 -13.716 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -21.382 -9.059 -13.092 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -17.708 -10.900 -11.841 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -22.556 -10.105 -11.178 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -18.882 -11.942 -9.927 1.00 0.00 H new ATOM 0 HZ PHE A 83 -21.307 -11.549 -9.594 1.00 0.00 H new ATOM 1048 N VAL A 84 -17.507 -7.196 -11.847 1.00 0.00 N ATOM 1049 CA VAL A 84 -17.196 -6.731 -10.503 1.00 0.00 C ATOM 1050 C VAL A 84 -17.474 -5.237 -10.373 1.00 0.00 C ATOM 1051 O VAL A 84 -18.048 -4.786 -9.383 1.00 0.00 O ATOM 1052 CB VAL A 84 -15.727 -7.016 -10.178 1.00 0.00 C ATOM 1053 CG1 VAL A 84 -15.342 -6.313 -8.868 1.00 0.00 C ATOM 1054 CG2 VAL A 84 -15.523 -8.523 -10.015 1.00 0.00 C ATOM 0 H VAL A 84 -16.697 -7.483 -12.396 1.00 0.00 H new ATOM 0 HA VAL A 84 -17.832 -7.266 -9.797 1.00 0.00 H new ATOM 0 HB VAL A 84 -15.102 -6.645 -10.990 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -14.296 -6.518 -8.639 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -15.486 -5.238 -8.976 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -15.970 -6.684 -8.058 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -14.477 -8.726 -9.784 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -16.152 -8.890 -9.204 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -15.794 -9.029 -10.941 1.00 0.00 H new ATOM 1064 N GLU A 85 -17.048 -4.477 -11.374 1.00 0.00 N ATOM 1065 CA GLU A 85 -17.238 -3.034 -11.359 1.00 0.00 C ATOM 1066 C GLU A 85 -18.714 -2.682 -11.253 1.00 0.00 C ATOM 1067 O GLU A 85 -19.130 -1.979 -10.334 1.00 0.00 O ATOM 1068 CB GLU A 85 -16.650 -2.420 -12.634 1.00 0.00 C ATOM 1069 CG GLU A 85 -15.122 -2.413 -12.548 1.00 0.00 C ATOM 1070 CD GLU A 85 -14.657 -1.321 -11.590 1.00 0.00 C ATOM 1071 OE1 GLU A 85 -14.887 -0.161 -11.890 1.00 0.00 O ATOM 1072 OE2 GLU A 85 -14.084 -1.663 -10.569 1.00 0.00 O ATOM 0 H GLU A 85 -16.571 -4.834 -12.202 1.00 0.00 H new ATOM 0 HA GLU A 85 -16.724 -2.629 -10.488 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -16.972 -2.990 -13.505 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -17.021 -1.403 -12.764 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -14.765 -3.384 -12.206 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -14.695 -2.246 -13.537 1.00 0.00 H new ATOM 1079 N LEU A 86 -19.503 -3.177 -12.195 1.00 0.00 N ATOM 1080 CA LEU A 86 -20.934 -2.902 -12.192 1.00 0.00 C ATOM 1081 C LEU A 86 -21.577 -3.447 -10.932 1.00 0.00 C ATOM 1082 O LEU A 86 -22.399 -2.783 -10.304 1.00 0.00 O ATOM 1083 CB LEU A 86 -21.581 -3.536 -13.436 1.00 0.00 C ATOM 1084 CG LEU A 86 -21.535 -2.547 -14.611 1.00 0.00 C ATOM 1085 CD1 LEU A 86 -22.480 -1.352 -14.329 1.00 0.00 C ATOM 1086 CD2 LEU A 86 -20.092 -2.041 -14.808 1.00 0.00 C ATOM 0 H LEU A 86 -19.182 -3.765 -12.964 1.00 0.00 H new ATOM 0 HA LEU A 86 -21.088 -1.823 -12.215 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -21.057 -4.454 -13.701 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -22.614 -3.810 -13.220 1.00 0.00 H new ATOM 0 HG LEU A 86 -21.863 -3.052 -15.519 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -22.443 -0.654 -15.165 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -23.500 -1.716 -14.205 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -22.162 -0.844 -13.418 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -20.063 -1.340 -15.642 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -19.755 -1.540 -13.901 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -19.436 -2.885 -15.021 1.00 0.00 H new ATOM 1098 N MET A 87 -21.205 -4.655 -10.573 1.00 0.00 N ATOM 1099 CA MET A 87 -21.761 -5.278 -9.385 1.00 0.00 C ATOM 1100 C MET A 87 -21.503 -4.411 -8.166 1.00 0.00 C ATOM 1101 O MET A 87 -22.359 -4.285 -7.289 1.00 0.00 O ATOM 1102 CB MET A 87 -21.135 -6.663 -9.178 1.00 0.00 C ATOM 1103 CG MET A 87 -21.643 -7.282 -7.869 1.00 0.00 C ATOM 1104 SD MET A 87 -23.448 -7.400 -7.915 1.00 0.00 S ATOM 1105 CE MET A 87 -23.651 -8.349 -6.391 1.00 0.00 C ATOM 0 H MET A 87 -20.526 -5.224 -11.079 1.00 0.00 H new ATOM 0 HA MET A 87 -22.837 -5.387 -9.519 1.00 0.00 H new ATOM 0 HB2 MET A 87 -21.385 -7.312 -10.017 1.00 0.00 H new ATOM 0 HB3 MET A 87 -20.049 -6.579 -9.152 1.00 0.00 H new ATOM 0 HG2 MET A 87 -21.207 -8.271 -7.729 1.00 0.00 H new ATOM 0 HG3 MET A 87 -21.330 -6.673 -7.021 1.00 0.00 H new ATOM 0 HE1 MET A 87 -24.711 -8.433 -6.153 1.00 0.00 H new ATOM 0 HE2 MET A 87 -23.229 -9.345 -6.524 1.00 0.00 H new ATOM 0 HE3 MET A 87 -23.135 -7.842 -5.575 1.00 0.00 H new ATOM 1115 N GLY A 88 -20.317 -3.821 -8.109 1.00 0.00 N ATOM 1116 CA GLY A 88 -19.951 -2.972 -6.985 1.00 0.00 C ATOM 1117 C GLY A 88 -21.124 -2.088 -6.556 1.00 0.00 C ATOM 1118 O GLY A 88 -22.083 -1.909 -7.305 1.00 0.00 O ATOM 0 H GLY A 88 -19.596 -3.914 -8.824 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -19.633 -3.591 -6.146 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -19.102 -2.346 -7.260 1.00 0.00 H new