USER MOD reduce.3.24.130724 H: found=0, std=0, add=841, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 835 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 63 CYS SG : rot -92:sc= -0.208 USER MOD Set 1.2: A 69 THR OG1 : rot 140:sc= 0.361 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.0351 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= -0.11 X(o=-0.11,f=0) USER MOD Single : A 11 GLN : amide:sc= -0.106 X(o=-0.11,f=0) USER MOD Single : A 19 LYS NZ :NH3+ -159:sc= 0.984 (180deg=-0.0483!) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HE2:sc= -1.42 X(o=-1.4,f=-1.6) USER MOD Single : A 43 SER OG : rot 180:sc= 0.112 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 HIS : no HE2:sc= -0.224 K(o=-0.22,f=-1.1) USER MOD Single : A 58 GLN : amide:sc= -0.098 K(o=-0.098,f=-0.67) USER MOD Single : A 62 HIS : no HE2:sc= -1.49 K(o=-1.5,f=-5.6!) USER MOD Single : A 64 GLN : amide:sc= 0.37 K(o=0.37,f=-5.5!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= 0.698 K(o=0.7,f=0) USER MOD Single : A 72 ASN : amide:sc= -0.0236 X(o=-0.024,f=0) USER MOD Single : A 75 LYS NZ :NH3+ -164:sc= 1.27 (180deg=1.1) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ -176:sc= 1.31 (180deg=1.23) USER MOD Single : A 105 ASN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 GLN : amide:sc= -0.36 K(o=-0.36,f=-3.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 14.054 -7.339 -1.971 1.00 0.00 N ATOM 2 CA ALA A 1 12.881 -6.835 -1.257 1.00 0.00 C ATOM 3 C ALA A 1 11.833 -6.316 -2.246 1.00 0.00 C ATOM 4 O ALA A 1 11.499 -5.139 -2.195 1.00 0.00 O ATOM 5 CB ALA A 1 13.303 -5.775 -0.227 1.00 0.00 C ATOM 0 H1 ALA A 1 14.755 -7.687 -1.286 1.00 0.00 H new ATOM 0 H2 ALA A 1 13.770 -8.116 -2.601 1.00 0.00 H new ATOM 0 H3 ALA A 1 14.473 -6.572 -2.535 1.00 0.00 H new ATOM 0 HA ALA A 1 12.414 -7.650 -0.704 1.00 0.00 H new ATOM 0 HB1 ALA A 1 12.422 -5.407 0.298 1.00 0.00 H new ATOM 0 HB2 ALA A 1 13.994 -6.219 0.490 1.00 0.00 H new ATOM 0 HB3 ALA A 1 13.793 -4.946 -0.738 1.00 0.00 H new ATOM 11 N LEU A 2 11.361 -7.137 -3.194 1.00 0.00 N ATOM 12 CA LEU A 2 10.337 -6.786 -4.179 1.00 0.00 C ATOM 13 C LEU A 2 9.608 -8.065 -4.557 1.00 0.00 C ATOM 14 O LEU A 2 10.155 -8.876 -5.307 1.00 0.00 O ATOM 15 CB LEU A 2 10.890 -6.158 -5.474 1.00 0.00 C ATOM 16 CG LEU A 2 11.343 -4.697 -5.384 1.00 0.00 C ATOM 17 CD1 LEU A 2 11.706 -4.185 -6.786 1.00 0.00 C ATOM 18 CD2 LEU A 2 10.246 -3.780 -4.833 1.00 0.00 C ATOM 0 H LEU A 2 11.695 -8.095 -3.297 1.00 0.00 H new ATOM 0 HA LEU A 2 9.694 -6.037 -3.717 1.00 0.00 H new ATOM 0 HB2 LEU A 2 11.736 -6.758 -5.810 1.00 0.00 H new ATOM 0 HB3 LEU A 2 10.122 -6.231 -6.244 1.00 0.00 H new ATOM 0 HG LEU A 2 12.198 -4.673 -4.709 1.00 0.00 H new ATOM 0 HD11 LEU A 2 12.028 -3.146 -6.722 1.00 0.00 H new ATOM 0 HD12 LEU A 2 12.514 -4.791 -7.197 1.00 0.00 H new ATOM 0 HD13 LEU A 2 10.834 -4.255 -7.436 1.00 0.00 H new ATOM 0 HD21 LEU A 2 10.616 -2.756 -4.789 1.00 0.00 H new ATOM 0 HD22 LEU A 2 9.374 -3.823 -5.486 1.00 0.00 H new ATOM 0 HD23 LEU A 2 9.966 -4.108 -3.832 1.00 0.00 H new ATOM 30 N THR A 3 8.370 -8.213 -4.100 1.00 0.00 N ATOM 31 CA THR A 3 7.552 -9.380 -4.382 1.00 0.00 C ATOM 32 C THR A 3 6.109 -8.957 -4.645 1.00 0.00 C ATOM 33 O THR A 3 5.606 -8.017 -4.034 1.00 0.00 O ATOM 34 CB THR A 3 7.633 -10.308 -3.161 1.00 0.00 C ATOM 35 OG1 THR A 3 8.967 -10.730 -2.960 1.00 0.00 O ATOM 36 CG2 THR A 3 6.748 -11.547 -3.294 1.00 0.00 C ATOM 0 H THR A 3 7.904 -7.517 -3.518 1.00 0.00 H new ATOM 0 HA THR A 3 7.911 -9.898 -5.271 1.00 0.00 H new ATOM 0 HB THR A 3 7.274 -9.728 -2.311 1.00 0.00 H new ATOM 0 HG1 THR A 3 9.009 -11.320 -2.179 1.00 0.00 H new ATOM 0 HG21 THR A 3 6.848 -12.163 -2.401 1.00 0.00 H new ATOM 0 HG22 THR A 3 5.708 -11.241 -3.409 1.00 0.00 H new ATOM 0 HG23 THR A 3 7.056 -12.122 -4.168 1.00 0.00 H new ATOM 44 N THR A 4 5.444 -9.638 -5.569 1.00 0.00 N ATOM 45 CA THR A 4 4.051 -9.404 -5.918 1.00 0.00 C ATOM 46 C THR A 4 3.267 -10.426 -5.087 1.00 0.00 C ATOM 47 O THR A 4 3.655 -11.602 -5.033 1.00 0.00 O ATOM 48 CB THR A 4 3.839 -9.524 -7.437 1.00 0.00 C ATOM 49 OG1 THR A 4 4.804 -10.369 -8.050 1.00 0.00 O ATOM 50 CG2 THR A 4 3.940 -8.155 -8.110 1.00 0.00 C ATOM 0 H THR A 4 5.872 -10.389 -6.111 1.00 0.00 H new ATOM 0 HA THR A 4 3.708 -8.395 -5.689 1.00 0.00 H new ATOM 0 HB THR A 4 2.845 -9.951 -7.568 1.00 0.00 H new ATOM 0 HG1 THR A 4 4.631 -10.418 -9.013 1.00 0.00 H new ATOM 0 HG21 THR A 4 3.787 -8.265 -9.184 1.00 0.00 H new ATOM 0 HG22 THR A 4 3.178 -7.491 -7.701 1.00 0.00 H new ATOM 0 HG23 THR A 4 4.927 -7.731 -7.926 1.00 0.00 H new ATOM 58 N ILE A 5 2.227 -9.970 -4.387 1.00 0.00 N ATOM 59 CA ILE A 5 1.394 -10.797 -3.524 1.00 0.00 C ATOM 60 C ILE A 5 -0.078 -10.504 -3.797 1.00 0.00 C ATOM 61 O ILE A 5 -0.463 -9.345 -3.984 1.00 0.00 O ATOM 62 CB ILE A 5 1.823 -10.584 -2.050 1.00 0.00 C ATOM 63 CG1 ILE A 5 1.078 -11.503 -1.066 1.00 0.00 C ATOM 64 CG2 ILE A 5 1.712 -9.109 -1.601 1.00 0.00 C ATOM 65 CD1 ILE A 5 1.933 -11.798 0.170 1.00 0.00 C ATOM 0 H ILE A 5 1.937 -8.992 -4.407 1.00 0.00 H new ATOM 0 HA ILE A 5 1.532 -11.857 -3.736 1.00 0.00 H new ATOM 0 HB ILE A 5 2.877 -10.862 -2.023 1.00 0.00 H new ATOM 0 HG12 ILE A 5 0.143 -11.033 -0.761 1.00 0.00 H new ATOM 0 HG13 ILE A 5 0.817 -12.437 -1.563 1.00 0.00 H new ATOM 0 HG21 ILE A 5 2.025 -9.021 -0.561 1.00 0.00 H new ATOM 0 HG22 ILE A 5 2.353 -8.489 -2.227 1.00 0.00 H new ATOM 0 HG23 ILE A 5 0.679 -8.776 -1.698 1.00 0.00 H new ATOM 0 HD11 ILE A 5 1.381 -12.449 0.847 1.00 0.00 H new ATOM 0 HD12 ILE A 5 2.856 -12.291 -0.135 1.00 0.00 H new ATOM 0 HD13 ILE A 5 2.171 -10.864 0.679 1.00 0.00 H new ATOM 77 N SER A 6 -0.883 -11.561 -3.878 1.00 0.00 N ATOM 78 CA SER A 6 -2.311 -11.449 -4.109 1.00 0.00 C ATOM 79 C SER A 6 -3.008 -11.037 -2.799 1.00 0.00 C ATOM 80 O SER A 6 -2.433 -11.164 -1.713 1.00 0.00 O ATOM 81 CB SER A 6 -2.826 -12.769 -4.689 1.00 0.00 C ATOM 82 OG SER A 6 -2.762 -12.716 -6.096 1.00 0.00 O ATOM 0 H SER A 6 -0.556 -12.522 -3.784 1.00 0.00 H new ATOM 0 HA SER A 6 -2.537 -10.672 -4.839 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.228 -13.601 -4.317 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.852 -12.945 -4.367 1.00 0.00 H new ATOM 0 HG SER A 6 -3.089 -13.560 -6.470 1.00 0.00 H new ATOM 88 N PRO A 7 -4.274 -10.588 -2.860 1.00 0.00 N ATOM 89 CA PRO A 7 -5.022 -10.135 -1.688 1.00 0.00 C ATOM 90 C PRO A 7 -5.284 -11.174 -0.600 1.00 0.00 C ATOM 91 O PRO A 7 -5.503 -10.782 0.543 1.00 0.00 O ATOM 92 CB PRO A 7 -6.358 -9.628 -2.234 1.00 0.00 C ATOM 93 CG PRO A 7 -6.510 -10.425 -3.529 1.00 0.00 C ATOM 94 CD PRO A 7 -5.083 -10.399 -4.056 1.00 0.00 C ATOM 0 HA PRO A 7 -4.415 -9.385 -1.181 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -7.178 -9.819 -1.542 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -6.340 -8.554 -2.418 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -6.865 -11.440 -3.349 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -7.213 -9.959 -4.220 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -4.911 -11.190 -4.786 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -4.855 -9.454 -4.550 1.00 0.00 H new ATOM 102 N HIS A 8 -5.299 -12.462 -0.932 1.00 0.00 N ATOM 103 CA HIS A 8 -5.572 -13.533 0.018 1.00 0.00 C ATOM 104 C HIS A 8 -4.448 -13.638 1.048 1.00 0.00 C ATOM 105 O HIS A 8 -4.686 -13.474 2.245 1.00 0.00 O ATOM 106 CB HIS A 8 -5.768 -14.850 -0.752 1.00 0.00 C ATOM 107 CG HIS A 8 -5.931 -16.077 0.110 1.00 0.00 C ATOM 108 ND1 HIS A 8 -7.122 -16.663 0.474 1.00 0.00 N ATOM 109 CD2 HIS A 8 -4.918 -16.846 0.618 1.00 0.00 C ATOM 110 CE1 HIS A 8 -6.834 -17.761 1.190 1.00 0.00 C ATOM 111 NE2 HIS A 8 -5.502 -17.908 1.316 1.00 0.00 N ATOM 0 H HIS A 8 -5.120 -12.794 -1.880 1.00 0.00 H new ATOM 0 HA HIS A 8 -6.487 -13.314 0.568 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -6.647 -14.753 -1.389 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -4.912 -14.999 -1.410 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -3.860 -16.665 0.501 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -7.569 -18.433 1.607 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -5.015 -18.648 1.821 1.00 0.00 H new ATOM 119 N ASP A 9 -3.225 -13.919 0.590 1.00 0.00 N ATOM 120 CA ASP A 9 -2.048 -14.058 1.454 1.00 0.00 C ATOM 121 C ASP A 9 -1.765 -12.720 2.117 1.00 0.00 C ATOM 122 O ASP A 9 -1.354 -12.666 3.275 1.00 0.00 O ATOM 123 CB ASP A 9 -0.836 -14.572 0.664 1.00 0.00 C ATOM 124 CG ASP A 9 -0.945 -16.089 0.492 1.00 0.00 C ATOM 125 OD1 ASP A 9 -1.439 -16.547 -0.568 1.00 0.00 O ATOM 126 OD2 ASP A 9 -0.618 -16.833 1.440 1.00 0.00 O ATOM 0 H ASP A 9 -3.021 -14.058 -0.400 1.00 0.00 H new ATOM 0 HA ASP A 9 -2.249 -14.800 2.227 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -0.792 -14.087 -0.311 1.00 0.00 H new ATOM 0 HB3 ASP A 9 0.086 -14.320 1.187 1.00 0.00 H new ATOM 131 N ALA A 10 -2.034 -11.628 1.400 1.00 0.00 N ATOM 132 CA ALA A 10 -1.842 -10.298 1.928 1.00 0.00 C ATOM 133 C ALA A 10 -2.812 -10.012 3.063 1.00 0.00 C ATOM 134 O ALA A 10 -2.436 -9.277 3.966 1.00 0.00 O ATOM 135 CB ALA A 10 -1.980 -9.282 0.804 1.00 0.00 C ATOM 0 H ALA A 10 -2.388 -11.651 0.444 1.00 0.00 H new ATOM 0 HA ALA A 10 -0.838 -10.222 2.345 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -1.835 -8.278 1.202 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -1.229 -9.481 0.039 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.975 -9.358 0.365 1.00 0.00 H new ATOM 141 N GLN A 11 -4.025 -10.574 3.057 1.00 0.00 N ATOM 142 CA GLN A 11 -4.994 -10.352 4.125 1.00 0.00 C ATOM 143 C GLN A 11 -4.454 -10.901 5.458 1.00 0.00 C ATOM 144 O GLN A 11 -4.945 -10.518 6.517 1.00 0.00 O ATOM 145 CB GLN A 11 -6.325 -11.034 3.753 1.00 0.00 C ATOM 146 CG GLN A 11 -7.494 -10.502 4.585 1.00 0.00 C ATOM 147 CD GLN A 11 -8.806 -11.257 4.388 1.00 0.00 C ATOM 148 OE1 GLN A 11 -9.553 -11.451 5.346 1.00 0.00 O ATOM 149 NE2 GLN A 11 -9.154 -11.657 3.173 1.00 0.00 N ATOM 0 H GLN A 11 -4.357 -11.191 2.316 1.00 0.00 H new ATOM 0 HA GLN A 11 -5.164 -9.282 4.246 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -6.531 -10.874 2.695 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -6.235 -12.110 3.901 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -7.221 -10.542 5.639 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -7.652 -9.453 4.337 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -8.529 -11.493 2.384 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -10.046 -12.129 3.028 1.00 0.00 H new ATOM 158 N GLU A 12 -3.486 -11.827 5.432 1.00 0.00 N ATOM 159 CA GLU A 12 -2.935 -12.400 6.631 1.00 0.00 C ATOM 160 C GLU A 12 -1.925 -11.418 7.217 1.00 0.00 C ATOM 161 O GLU A 12 -2.187 -10.856 8.272 1.00 0.00 O ATOM 162 CB GLU A 12 -2.386 -13.802 6.320 1.00 0.00 C ATOM 163 CG GLU A 12 -1.733 -14.389 7.566 1.00 0.00 C ATOM 164 CD GLU A 12 -1.752 -15.919 7.612 1.00 0.00 C ATOM 165 OE1 GLU A 12 -2.870 -16.485 7.740 1.00 0.00 O ATOM 166 OE2 GLU A 12 -0.672 -16.545 7.637 1.00 0.00 O ATOM 0 H GLU A 12 -3.075 -12.188 4.572 1.00 0.00 H new ATOM 0 HA GLU A 12 -3.689 -12.554 7.403 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -3.193 -14.452 5.981 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -1.659 -13.746 5.509 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -0.700 -14.046 7.619 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -2.243 -14.002 8.448 1.00 0.00 H new ATOM 173 N LEU A 13 -0.803 -11.171 6.538 1.00 0.00 N ATOM 174 CA LEU A 13 0.265 -10.263 6.975 1.00 0.00 C ATOM 175 C LEU A 13 -0.250 -8.896 7.451 1.00 0.00 C ATOM 176 O LEU A 13 0.186 -8.398 8.492 1.00 0.00 O ATOM 177 CB LEU A 13 1.356 -10.180 5.891 1.00 0.00 C ATOM 178 CG LEU A 13 0.860 -9.806 4.483 1.00 0.00 C ATOM 179 CD1 LEU A 13 0.789 -8.311 4.200 1.00 0.00 C ATOM 180 CD2 LEU A 13 1.764 -10.408 3.413 1.00 0.00 C ATOM 0 H LEU A 13 -0.604 -11.611 5.639 1.00 0.00 H new ATOM 0 HA LEU A 13 0.723 -10.684 7.870 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.099 -9.446 6.203 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.863 -11.143 5.835 1.00 0.00 H new ATOM 0 HG LEU A 13 -0.153 -10.207 4.451 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.429 -8.150 3.184 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.106 -7.839 4.906 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.781 -7.873 4.307 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.394 -10.131 2.426 1.00 0.00 H new ATOM 0 HD22 LEU A 13 2.779 -10.031 3.540 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.766 -11.494 3.507 1.00 0.00 H new ATOM 192 N ILE A 14 -1.238 -8.320 6.769 1.00 0.00 N ATOM 193 CA ILE A 14 -1.856 -7.035 7.101 1.00 0.00 C ATOM 194 C ILE A 14 -2.532 -7.057 8.480 1.00 0.00 C ATOM 195 O ILE A 14 -2.609 -6.032 9.161 1.00 0.00 O ATOM 196 CB ILE A 14 -2.833 -6.708 5.952 1.00 0.00 C ATOM 197 CG1 ILE A 14 -2.148 -5.720 4.998 1.00 0.00 C ATOM 198 CG2 ILE A 14 -4.237 -6.291 6.367 1.00 0.00 C ATOM 199 CD1 ILE A 14 -2.618 -5.807 3.552 1.00 0.00 C ATOM 0 H ILE A 14 -1.646 -8.750 5.939 1.00 0.00 H new ATOM 0 HA ILE A 14 -1.105 -6.250 7.186 1.00 0.00 H new ATOM 0 HB ILE A 14 -3.041 -7.641 5.429 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -2.318 -4.707 5.361 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.072 -5.893 5.028 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -4.834 -6.087 5.478 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -4.701 -7.095 6.939 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -4.183 -5.393 6.982 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -2.081 -5.074 2.950 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -2.422 -6.807 3.165 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.688 -5.603 3.504 1.00 0.00 H new ATOM 211 N ALA A 15 -3.062 -8.209 8.890 1.00 0.00 N ATOM 212 CA ALA A 15 -3.731 -8.426 10.166 1.00 0.00 C ATOM 213 C ALA A 15 -2.755 -8.987 11.201 1.00 0.00 C ATOM 214 O ALA A 15 -3.173 -9.502 12.243 1.00 0.00 O ATOM 215 CB ALA A 15 -4.910 -9.380 9.933 1.00 0.00 C ATOM 0 H ALA A 15 -3.034 -9.051 8.315 1.00 0.00 H new ATOM 0 HA ALA A 15 -4.102 -7.480 10.561 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.427 -9.557 10.876 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.602 -8.935 9.218 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.540 -10.326 9.539 1.00 0.00 H new ATOM 221 N ARG A 16 -1.451 -8.902 10.923 1.00 0.00 N ATOM 222 CA ARG A 16 -0.393 -9.414 11.785 1.00 0.00 C ATOM 223 C ARG A 16 0.634 -8.331 12.088 1.00 0.00 C ATOM 224 O ARG A 16 1.024 -8.186 13.249 1.00 0.00 O ATOM 225 CB ARG A 16 0.241 -10.631 11.106 1.00 0.00 C ATOM 226 CG ARG A 16 -0.791 -11.733 10.816 1.00 0.00 C ATOM 227 CD ARG A 16 -1.020 -12.708 11.969 1.00 0.00 C ATOM 228 NE ARG A 16 -0.704 -14.075 11.534 1.00 0.00 N ATOM 229 CZ ARG A 16 -1.538 -15.100 11.354 1.00 0.00 C ATOM 230 NH1 ARG A 16 -2.812 -15.038 11.731 1.00 0.00 N ATOM 231 NH2 ARG A 16 -1.067 -16.190 10.775 1.00 0.00 N ATOM 0 H ARG A 16 -1.098 -8.464 10.072 1.00 0.00 H new ATOM 0 HA ARG A 16 -0.809 -9.721 12.744 1.00 0.00 H new ATOM 0 HB2 ARG A 16 0.712 -10.321 10.173 1.00 0.00 H new ATOM 0 HB3 ARG A 16 1.029 -11.032 11.743 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -1.741 -11.264 10.559 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -0.466 -12.296 9.941 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -0.396 -12.433 12.819 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -2.056 -12.653 12.304 1.00 0.00 H new ATOM 0 HE ARG A 16 0.280 -14.265 11.345 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -3.173 -14.191 12.170 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -3.428 -15.837 11.581 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -0.091 -16.230 10.480 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -1.679 -16.992 10.623 1.00 0.00 H new ATOM 245 N GLY A 17 1.059 -7.568 11.078 1.00 0.00 N ATOM 246 CA GLY A 17 2.033 -6.511 11.294 1.00 0.00 C ATOM 247 C GLY A 17 2.691 -5.897 10.069 1.00 0.00 C ATOM 248 O GLY A 17 3.459 -4.948 10.256 1.00 0.00 O ATOM 0 H GLY A 17 0.744 -7.666 10.113 1.00 0.00 H new ATOM 0 HA2 GLY A 17 1.542 -5.711 11.848 1.00 0.00 H new ATOM 0 HA3 GLY A 17 2.821 -6.906 11.935 1.00 0.00 H new ATOM 252 N ALA A 18 2.477 -6.414 8.854 1.00 0.00 N ATOM 253 CA ALA A 18 3.083 -5.807 7.670 1.00 0.00 C ATOM 254 C ALA A 18 2.471 -4.411 7.515 1.00 0.00 C ATOM 255 O ALA A 18 1.267 -4.246 7.742 1.00 0.00 O ATOM 256 CB ALA A 18 2.811 -6.652 6.435 1.00 0.00 C ATOM 0 H ALA A 18 1.900 -7.235 8.669 1.00 0.00 H new ATOM 0 HA ALA A 18 4.165 -5.742 7.783 1.00 0.00 H new ATOM 0 HB1 ALA A 18 3.270 -6.183 5.565 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.232 -7.648 6.575 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.735 -6.732 6.279 1.00 0.00 H new ATOM 262 N LYS A 19 3.243 -3.408 7.089 1.00 0.00 N ATOM 263 CA LYS A 19 2.740 -2.035 6.946 1.00 0.00 C ATOM 264 C LYS A 19 2.583 -1.602 5.502 1.00 0.00 C ATOM 265 O LYS A 19 3.569 -1.466 4.788 1.00 0.00 O ATOM 266 CB LYS A 19 3.618 -1.066 7.760 1.00 0.00 C ATOM 267 CG LYS A 19 2.855 -0.503 8.969 1.00 0.00 C ATOM 268 CD LYS A 19 2.251 -1.579 9.891 1.00 0.00 C ATOM 269 CE LYS A 19 0.720 -1.647 9.863 1.00 0.00 C ATOM 270 NZ LYS A 19 0.076 -0.397 10.300 1.00 0.00 N ATOM 0 H LYS A 19 4.225 -3.520 6.835 1.00 0.00 H new ATOM 0 HA LYS A 19 1.730 -2.010 7.354 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.514 -1.584 8.102 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.947 -0.246 7.121 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.531 0.122 9.553 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.054 0.143 8.610 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.651 -2.552 9.606 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.576 -1.388 10.914 1.00 0.00 H new ATOM 0 HE2 LYS A 19 0.392 -1.883 8.851 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.387 -2.463 10.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -0.900 -0.596 10.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 0.608 0.007 11.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 0.064 0.282 9.512 1.00 0.00 H new ATOM 284 N LEU A 20 1.349 -1.408 5.056 1.00 0.00 N ATOM 285 CA LEU A 20 1.113 -0.976 3.684 1.00 0.00 C ATOM 286 C LEU A 20 1.265 0.544 3.632 1.00 0.00 C ATOM 287 O LEU A 20 0.952 1.245 4.598 1.00 0.00 O ATOM 288 CB LEU A 20 -0.260 -1.458 3.210 1.00 0.00 C ATOM 289 CG LEU A 20 -0.388 -1.646 1.688 1.00 0.00 C ATOM 290 CD1 LEU A 20 -1.108 -2.966 1.400 1.00 0.00 C ATOM 291 CD2 LEU A 20 -1.159 -0.509 1.035 1.00 0.00 C ATOM 0 H LEU A 20 0.506 -1.541 5.615 1.00 0.00 H new ATOM 0 HA LEU A 20 1.840 -1.414 3.001 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.486 -2.406 3.699 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.014 -0.742 3.538 1.00 0.00 H new ATOM 0 HG LEU A 20 0.618 -1.654 1.270 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.200 -3.102 0.323 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.536 -3.792 1.823 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.101 -2.945 1.850 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.225 -0.684 -0.039 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.163 -0.461 1.457 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.643 0.433 1.219 1.00 0.00 H new ATOM 303 N ILE A 21 1.702 1.071 2.493 1.00 0.00 N ATOM 304 CA ILE A 21 1.923 2.494 2.267 1.00 0.00 C ATOM 305 C ILE A 21 1.027 2.942 1.129 1.00 0.00 C ATOM 306 O ILE A 21 0.683 2.157 0.236 1.00 0.00 O ATOM 307 CB ILE A 21 3.422 2.738 1.944 1.00 0.00 C ATOM 308 CG1 ILE A 21 4.385 2.064 2.929 1.00 0.00 C ATOM 309 CG2 ILE A 21 3.794 4.229 1.847 1.00 0.00 C ATOM 310 CD1 ILE A 21 4.283 2.530 4.373 1.00 0.00 C ATOM 0 H ILE A 21 1.919 0.501 1.676 1.00 0.00 H new ATOM 0 HA ILE A 21 1.676 3.074 3.157 1.00 0.00 H new ATOM 0 HB ILE A 21 3.541 2.275 0.964 1.00 0.00 H new ATOM 0 HG12 ILE A 21 4.211 0.988 2.900 1.00 0.00 H new ATOM 0 HG13 ILE A 21 5.405 2.231 2.584 1.00 0.00 H new ATOM 0 HG21 ILE A 21 4.856 4.325 1.619 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.209 4.699 1.056 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.581 4.720 2.797 1.00 0.00 H new ATOM 0 HD11 ILE A 21 5.007 1.989 4.982 1.00 0.00 H new ATOM 0 HD12 ILE A 21 4.490 3.599 4.426 1.00 0.00 H new ATOM 0 HD13 ILE A 21 3.278 2.336 4.748 1.00 0.00 H new ATOM 322 N ASP A 22 0.785 4.243 1.058 1.00 0.00 N ATOM 323 CA ASP A 22 -0.043 4.853 0.042 1.00 0.00 C ATOM 324 C ASP A 22 0.759 5.884 -0.761 1.00 0.00 C ATOM 325 O ASP A 22 0.585 7.083 -0.541 1.00 0.00 O ATOM 326 CB ASP A 22 -1.222 5.567 0.701 1.00 0.00 C ATOM 327 CG ASP A 22 -2.296 4.766 1.416 1.00 0.00 C ATOM 328 OD1 ASP A 22 -3.245 5.418 1.918 1.00 0.00 O ATOM 329 OD2 ASP A 22 -2.296 3.522 1.345 1.00 0.00 O ATOM 0 H ASP A 22 1.170 4.914 1.723 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.398 4.068 -0.626 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.810 6.272 1.423 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.717 6.154 -0.072 1.00 0.00 H new ATOM 334 N ILE A 23 1.616 5.490 -1.709 1.00 0.00 N ATOM 335 CA ILE A 23 2.382 6.477 -2.489 1.00 0.00 C ATOM 336 C ILE A 23 1.555 7.032 -3.669 1.00 0.00 C ATOM 337 O ILE A 23 2.081 7.289 -4.749 1.00 0.00 O ATOM 338 CB ILE A 23 3.712 5.860 -2.978 1.00 0.00 C ATOM 339 CG1 ILE A 23 3.507 4.696 -3.977 1.00 0.00 C ATOM 340 CG2 ILE A 23 4.600 5.420 -1.807 1.00 0.00 C ATOM 341 CD1 ILE A 23 4.207 4.945 -5.303 1.00 0.00 C ATOM 0 H ILE A 23 1.797 4.517 -1.954 1.00 0.00 H new ATOM 0 HA ILE A 23 2.613 7.318 -1.836 1.00 0.00 H new ATOM 0 HB ILE A 23 4.227 6.655 -3.518 1.00 0.00 H new ATOM 0 HG12 ILE A 23 3.883 3.772 -3.538 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.441 4.554 -4.152 1.00 0.00 H new ATOM 0 HG21 ILE A 23 5.525 4.992 -2.193 1.00 0.00 H new ATOM 0 HG22 ILE A 23 4.832 6.283 -1.182 1.00 0.00 H new ATOM 0 HG23 ILE A 23 4.074 4.673 -1.213 1.00 0.00 H new ATOM 0 HD11 ILE A 23 4.034 4.101 -5.970 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.812 5.854 -5.758 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.278 5.060 -5.133 1.00 0.00 H new ATOM 353 N ARG A 24 0.259 7.259 -3.481 1.00 0.00 N ATOM 354 CA ARG A 24 -0.664 7.759 -4.501 1.00 0.00 C ATOM 355 C ARG A 24 -0.809 9.268 -4.325 1.00 0.00 C ATOM 356 O ARG A 24 0.085 9.998 -4.768 1.00 0.00 O ATOM 357 CB ARG A 24 -1.979 6.937 -4.536 1.00 0.00 C ATOM 358 CG ARG A 24 -2.294 6.224 -3.213 1.00 0.00 C ATOM 359 CD ARG A 24 -3.724 5.653 -3.133 1.00 0.00 C ATOM 360 NE ARG A 24 -4.408 6.104 -1.908 1.00 0.00 N ATOM 361 CZ ARG A 24 -5.602 5.706 -1.434 1.00 0.00 C ATOM 362 NH1 ARG A 24 -6.159 4.562 -1.816 1.00 0.00 N ATOM 363 NH2 ARG A 24 -6.261 6.483 -0.578 1.00 0.00 N ATOM 0 H ARG A 24 -0.196 7.095 -2.583 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.267 7.610 -5.505 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.806 7.601 -4.787 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -1.913 6.195 -5.332 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -1.581 5.412 -3.071 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -2.147 6.924 -2.391 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -4.294 5.967 -4.008 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -3.686 4.564 -3.152 1.00 0.00 H new ATOM 0 HE ARG A 24 -3.916 6.803 -1.352 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -5.680 3.960 -2.486 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -7.066 4.286 -1.440 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -5.860 7.374 -0.285 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -7.167 6.187 -0.214 1.00 0.00 H new ATOM 377 N ASP A 25 -1.893 9.740 -3.719 1.00 0.00 N ATOM 378 CA ASP A 25 -2.176 11.150 -3.482 1.00 0.00 C ATOM 379 C ASP A 25 -3.228 11.236 -2.381 1.00 0.00 C ATOM 380 O ASP A 25 -3.980 10.280 -2.176 1.00 0.00 O ATOM 381 CB ASP A 25 -2.711 11.770 -4.772 1.00 0.00 C ATOM 382 CG ASP A 25 -2.687 13.293 -4.791 1.00 0.00 C ATOM 383 OD1 ASP A 25 -3.107 13.845 -5.836 1.00 0.00 O ATOM 384 OD2 ASP A 25 -2.199 13.935 -3.835 1.00 0.00 O ATOM 0 H ASP A 25 -2.627 9.126 -3.366 1.00 0.00 H new ATOM 0 HA ASP A 25 -1.277 11.687 -3.179 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.123 11.398 -5.611 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -3.736 11.432 -4.926 1.00 0.00 H new ATOM 389 N ALA A 26 -3.319 12.363 -1.680 1.00 0.00 N ATOM 390 CA ALA A 26 -4.263 12.572 -0.575 1.00 0.00 C ATOM 391 C ALA A 26 -5.722 12.752 -0.981 1.00 0.00 C ATOM 392 O ALA A 26 -6.608 12.622 -0.134 1.00 0.00 O ATOM 393 CB ALA A 26 -3.805 13.760 0.273 1.00 0.00 C ATOM 0 H ALA A 26 -2.729 13.175 -1.864 1.00 0.00 H new ATOM 0 HA ALA A 26 -4.245 11.645 -0.002 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.507 13.914 1.093 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.813 13.558 0.677 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.768 14.656 -0.346 1.00 0.00 H new ATOM 399 N ASP A 27 -6.018 13.000 -2.254 1.00 0.00 N ATOM 400 CA ASP A 27 -7.405 13.182 -2.675 1.00 0.00 C ATOM 401 C ASP A 27 -8.135 11.873 -2.968 1.00 0.00 C ATOM 402 O ASP A 27 -9.299 11.893 -3.366 1.00 0.00 O ATOM 403 CB ASP A 27 -7.538 14.263 -3.747 1.00 0.00 C ATOM 404 CG ASP A 27 -8.674 15.206 -3.359 1.00 0.00 C ATOM 405 OD1 ASP A 27 -9.627 15.387 -4.154 1.00 0.00 O ATOM 406 OD2 ASP A 27 -8.604 15.787 -2.249 1.00 0.00 O ATOM 0 H ASP A 27 -5.329 13.079 -3.002 1.00 0.00 H new ATOM 0 HA ASP A 27 -7.951 13.572 -1.816 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -6.604 14.817 -3.842 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -7.739 13.809 -4.717 1.00 0.00 H new ATOM 411 N GLU A 28 -7.444 10.744 -2.797 1.00 0.00 N ATOM 412 CA GLU A 28 -7.960 9.394 -2.991 1.00 0.00 C ATOM 413 C GLU A 28 -8.602 8.918 -1.685 1.00 0.00 C ATOM 414 O GLU A 28 -9.726 8.430 -1.712 1.00 0.00 O ATOM 415 CB GLU A 28 -6.809 8.444 -3.347 1.00 0.00 C ATOM 416 CG GLU A 28 -6.153 8.750 -4.695 1.00 0.00 C ATOM 417 CD GLU A 28 -7.051 8.495 -5.918 1.00 0.00 C ATOM 418 OE1 GLU A 28 -6.812 9.148 -6.962 1.00 0.00 O ATOM 419 OE2 GLU A 28 -7.936 7.607 -5.871 1.00 0.00 O ATOM 0 H GLU A 28 -6.466 10.750 -2.507 1.00 0.00 H new ATOM 0 HA GLU A 28 -8.693 9.399 -3.798 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.052 8.496 -2.565 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.185 7.421 -3.360 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -5.839 9.794 -4.703 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -5.251 8.145 -4.791 1.00 0.00 H new ATOM 426 N TYR A 29 -7.911 9.120 -0.550 1.00 0.00 N ATOM 427 CA TYR A 29 -8.324 8.735 0.812 1.00 0.00 C ATOM 428 C TYR A 29 -9.765 9.146 1.090 1.00 0.00 C ATOM 429 O TYR A 29 -10.560 8.405 1.672 1.00 0.00 O ATOM 430 CB TYR A 29 -7.383 9.355 1.858 1.00 0.00 C ATOM 431 CG TYR A 29 -7.883 9.259 3.285 1.00 0.00 C ATOM 432 CD1 TYR A 29 -8.210 7.996 3.813 1.00 0.00 C ATOM 433 CD2 TYR A 29 -8.044 10.415 4.073 1.00 0.00 C ATOM 434 CE1 TYR A 29 -8.758 7.892 5.098 1.00 0.00 C ATOM 435 CE2 TYR A 29 -8.578 10.315 5.371 1.00 0.00 C ATOM 436 CZ TYR A 29 -8.973 9.053 5.871 1.00 0.00 C ATOM 437 OH TYR A 29 -9.607 8.958 7.073 1.00 0.00 O ATOM 0 H TYR A 29 -7.001 9.581 -0.558 1.00 0.00 H new ATOM 0 HA TYR A 29 -8.262 7.649 0.883 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -6.412 8.864 1.792 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -7.226 10.405 1.611 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -8.038 7.106 3.227 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -7.757 11.379 3.681 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -9.016 6.922 5.498 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -8.686 11.199 5.983 1.00 0.00 H new ATOM 0 HH TYR A 29 -9.674 9.848 7.479 1.00 0.00 H new ATOM 447 N LEU A 30 -10.080 10.360 0.648 1.00 0.00 N ATOM 448 CA LEU A 30 -11.366 11.017 0.739 1.00 0.00 C ATOM 449 C LEU A 30 -12.464 10.045 0.285 1.00 0.00 C ATOM 450 O LEU A 30 -13.484 9.890 0.965 1.00 0.00 O ATOM 451 CB LEU A 30 -11.223 12.264 -0.146 1.00 0.00 C ATOM 452 CG LEU A 30 -12.385 13.260 -0.116 1.00 0.00 C ATOM 453 CD1 LEU A 30 -11.886 14.555 -0.757 1.00 0.00 C ATOM 454 CD2 LEU A 30 -13.607 12.781 -0.902 1.00 0.00 C ATOM 0 H LEU A 30 -9.387 10.947 0.184 1.00 0.00 H new ATOM 0 HA LEU A 30 -11.654 11.314 1.748 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -10.315 12.790 0.150 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -11.081 11.937 -1.176 1.00 0.00 H new ATOM 0 HG LEU A 30 -12.697 13.387 0.921 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -12.687 15.294 -0.755 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -11.038 14.938 -0.190 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -11.577 14.357 -1.783 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -14.395 13.531 -0.842 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -13.331 12.627 -1.945 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -13.966 11.843 -0.480 1.00 0.00 H new ATOM 466 N ARG A 31 -12.280 9.413 -0.875 1.00 0.00 N ATOM 467 CA ARG A 31 -13.210 8.451 -1.446 1.00 0.00 C ATOM 468 C ARG A 31 -13.023 7.096 -0.787 1.00 0.00 C ATOM 469 O ARG A 31 -13.988 6.569 -0.231 1.00 0.00 O ATOM 470 CB ARG A 31 -12.982 8.319 -2.963 1.00 0.00 C ATOM 471 CG ARG A 31 -13.458 9.533 -3.771 1.00 0.00 C ATOM 472 CD ARG A 31 -14.959 9.493 -4.092 1.00 0.00 C ATOM 473 NE ARG A 31 -15.807 9.884 -2.950 1.00 0.00 N ATOM 474 CZ ARG A 31 -17.087 9.535 -2.765 1.00 0.00 C ATOM 475 NH1 ARG A 31 -17.697 8.737 -3.631 1.00 0.00 N ATOM 476 NH2 ARG A 31 -17.752 9.995 -1.715 1.00 0.00 N ATOM 0 H ARG A 31 -11.455 9.564 -1.456 1.00 0.00 H new ATOM 0 HA ARG A 31 -14.226 8.805 -1.269 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -11.919 8.165 -3.149 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -13.500 7.430 -3.322 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -13.236 10.443 -3.213 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -12.895 9.585 -4.703 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -15.162 10.157 -4.932 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -15.230 8.486 -4.409 1.00 0.00 H new ATOM 0 HE ARG A 31 -15.380 10.474 -2.236 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -17.191 8.385 -4.444 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -18.672 8.475 -3.484 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -17.289 10.614 -1.049 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -18.727 9.730 -1.573 1.00 0.00 H new ATOM 490 N GLU A 32 -11.825 6.511 -0.865 1.00 0.00 N ATOM 491 CA GLU A 32 -11.588 5.201 -0.284 1.00 0.00 C ATOM 492 C GLU A 32 -10.203 4.964 0.293 1.00 0.00 C ATOM 493 O GLU A 32 -9.296 5.786 0.164 1.00 0.00 O ATOM 494 CB GLU A 32 -11.939 4.118 -1.284 1.00 0.00 C ATOM 495 CG GLU A 32 -11.011 3.936 -2.465 1.00 0.00 C ATOM 496 CD GLU A 32 -11.491 4.657 -3.726 1.00 0.00 C ATOM 497 OE1 GLU A 32 -10.884 5.682 -4.107 1.00 0.00 O ATOM 498 OE2 GLU A 32 -12.465 4.181 -4.360 1.00 0.00 O ATOM 0 H GLU A 32 -11.013 6.926 -1.323 1.00 0.00 H new ATOM 0 HA GLU A 32 -12.247 5.161 0.583 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -11.994 3.170 -0.749 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -12.938 4.325 -1.669 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -10.020 4.303 -2.200 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -10.910 2.872 -2.679 1.00 0.00 H new ATOM 505 N HIS A 33 -10.055 3.803 0.940 1.00 0.00 N ATOM 506 CA HIS A 33 -8.804 3.427 1.569 1.00 0.00 C ATOM 507 C HIS A 33 -8.286 2.151 0.925 1.00 0.00 C ATOM 508 O HIS A 33 -8.278 2.043 -0.300 1.00 0.00 O ATOM 509 CB HIS A 33 -8.975 3.391 3.097 1.00 0.00 C ATOM 510 CG HIS A 33 -7.687 3.272 3.883 1.00 0.00 C ATOM 511 ND1 HIS A 33 -6.459 3.771 3.518 1.00 0.00 N ATOM 512 CD2 HIS A 33 -7.514 2.591 5.060 1.00 0.00 C ATOM 513 CE1 HIS A 33 -5.568 3.418 4.452 1.00 0.00 C ATOM 514 NE2 HIS A 33 -6.160 2.688 5.412 1.00 0.00 N ATOM 0 H HIS A 33 -10.797 3.110 1.037 1.00 0.00 H new ATOM 0 HA HIS A 33 -8.024 4.170 1.401 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -9.492 4.298 3.411 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -9.620 2.551 3.356 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -6.261 4.317 2.679 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -8.282 2.073 5.616 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -4.521 3.683 4.436 1.00 0.00 H new ATOM 522 N ILE A 34 -7.863 1.193 1.743 1.00 0.00 N ATOM 523 CA ILE A 34 -7.281 -0.076 1.347 1.00 0.00 C ATOM 524 C ILE A 34 -7.207 -1.014 2.575 1.00 0.00 C ATOM 525 O ILE A 34 -7.553 -0.578 3.678 1.00 0.00 O ATOM 526 CB ILE A 34 -5.881 0.298 0.781 1.00 0.00 C ATOM 527 CG1 ILE A 34 -5.649 -0.287 -0.620 1.00 0.00 C ATOM 528 CG2 ILE A 34 -4.751 0.153 1.794 1.00 0.00 C ATOM 529 CD1 ILE A 34 -4.259 -0.817 -0.938 1.00 0.00 C ATOM 0 H ILE A 34 -7.922 1.291 2.757 1.00 0.00 H new ATOM 0 HA ILE A 34 -7.862 -0.617 0.600 1.00 0.00 H new ATOM 0 HB ILE A 34 -5.870 1.374 0.607 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -6.361 -1.099 -0.767 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -5.890 0.485 -1.351 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.806 0.431 1.327 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.941 0.805 2.646 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -4.697 -0.881 2.134 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.240 -1.199 -1.959 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.531 -0.012 -0.838 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -4.009 -1.621 -0.245 1.00 0.00 H new ATOM 541 N PRO A 35 -6.762 -2.279 2.424 1.00 0.00 N ATOM 542 CA PRO A 35 -6.625 -3.222 3.516 1.00 0.00 C ATOM 543 C PRO A 35 -5.428 -2.849 4.407 1.00 0.00 C ATOM 544 O PRO A 35 -4.368 -3.444 4.277 1.00 0.00 O ATOM 545 CB PRO A 35 -6.502 -4.602 2.861 1.00 0.00 C ATOM 546 CG PRO A 35 -5.888 -4.333 1.489 1.00 0.00 C ATOM 547 CD PRO A 35 -6.343 -2.912 1.186 1.00 0.00 C ATOM 0 HA PRO A 35 -7.481 -3.214 4.190 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -5.871 -5.265 3.453 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -7.475 -5.084 2.770 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -4.801 -4.413 1.510 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -6.246 -5.040 0.741 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -5.532 -2.346 0.729 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -7.166 -2.924 0.471 1.00 0.00 H new ATOM 555 N GLU A 36 -5.624 -1.917 5.344 1.00 0.00 N ATOM 556 CA GLU A 36 -4.644 -1.419 6.317 1.00 0.00 C ATOM 557 C GLU A 36 -3.396 -0.769 5.710 1.00 0.00 C ATOM 558 O GLU A 36 -2.458 -1.450 5.299 1.00 0.00 O ATOM 559 CB GLU A 36 -4.257 -2.539 7.300 1.00 0.00 C ATOM 560 CG GLU A 36 -3.968 -2.110 8.754 1.00 0.00 C ATOM 561 CD GLU A 36 -2.762 -1.198 9.030 1.00 0.00 C ATOM 562 OE1 GLU A 36 -1.853 -1.021 8.194 1.00 0.00 O ATOM 563 OE2 GLU A 36 -2.676 -0.645 10.151 1.00 0.00 O ATOM 0 H GLU A 36 -6.530 -1.460 5.451 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.146 -0.609 6.847 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -5.062 -3.273 7.315 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.373 -3.044 6.911 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -4.857 -1.605 9.132 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.839 -3.016 9.346 1.00 0.00 H new ATOM 570 N ALA A 37 -3.387 0.564 5.653 1.00 0.00 N ATOM 571 CA ALA A 37 -2.272 1.358 5.157 1.00 0.00 C ATOM 572 C ALA A 37 -2.231 2.675 5.927 1.00 0.00 C ATOM 573 O ALA A 37 -2.940 2.837 6.928 1.00 0.00 O ATOM 574 CB ALA A 37 -2.397 1.601 3.659 1.00 0.00 C ATOM 0 H ALA A 37 -4.177 1.131 5.959 1.00 0.00 H new ATOM 0 HA ALA A 37 -1.339 0.816 5.314 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.551 2.196 3.315 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -2.405 0.645 3.135 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -3.324 2.135 3.453 1.00 0.00 H new ATOM 580 N ASP A 38 -1.374 3.609 5.525 1.00 0.00 N ATOM 581 CA ASP A 38 -1.259 4.917 6.156 1.00 0.00 C ATOM 582 C ASP A 38 -0.800 5.902 5.085 1.00 0.00 C ATOM 583 O ASP A 38 -0.074 5.537 4.154 1.00 0.00 O ATOM 584 CB ASP A 38 -0.300 4.853 7.340 1.00 0.00 C ATOM 585 CG ASP A 38 -0.512 5.932 8.399 1.00 0.00 C ATOM 586 OD1 ASP A 38 -0.060 5.704 9.546 1.00 0.00 O ATOM 587 OD2 ASP A 38 -1.116 7.000 8.154 1.00 0.00 O ATOM 0 H ASP A 38 -0.733 3.476 4.743 1.00 0.00 H new ATOM 0 HA ASP A 38 -2.216 5.248 6.559 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -0.396 3.876 7.814 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.721 4.927 6.966 1.00 0.00 H new ATOM 592 N LEU A 39 -1.243 7.149 5.211 1.00 0.00 N ATOM 593 CA LEU A 39 -0.951 8.219 4.276 1.00 0.00 C ATOM 594 C LEU A 39 0.518 8.624 4.251 1.00 0.00 C ATOM 595 O LEU A 39 1.052 9.109 5.252 1.00 0.00 O ATOM 596 CB LEU A 39 -1.837 9.426 4.621 1.00 0.00 C ATOM 597 CG LEU A 39 -1.680 10.606 3.643 1.00 0.00 C ATOM 598 CD1 LEU A 39 -2.025 10.198 2.207 1.00 0.00 C ATOM 599 CD2 LEU A 39 -2.613 11.731 4.089 1.00 0.00 C ATOM 0 H LEU A 39 -1.831 7.447 5.990 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.170 7.850 3.274 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.880 9.109 4.631 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.597 9.766 5.629 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.641 10.934 3.655 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.903 11.056 1.546 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.360 9.396 1.887 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.058 9.852 2.165 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.516 12.576 3.408 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.643 11.375 4.080 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.347 12.046 5.098 1.00 0.00 H new ATOM 611 N ALA A 40 1.162 8.450 3.096 1.00 0.00 N ATOM 612 CA ALA A 40 2.547 8.795 2.809 1.00 0.00 C ATOM 613 C ALA A 40 2.649 8.822 1.277 1.00 0.00 C ATOM 614 O ALA A 40 3.127 7.844 0.699 1.00 0.00 O ATOM 615 CB ALA A 40 3.512 7.818 3.494 1.00 0.00 C ATOM 0 H ALA A 40 0.697 8.038 2.287 1.00 0.00 H new ATOM 0 HA ALA A 40 2.837 9.766 3.211 1.00 0.00 H new ATOM 0 HB1 ALA A 40 4.539 8.099 3.263 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.360 7.853 4.573 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.323 6.807 3.134 1.00 0.00 H new ATOM 621 N PRO A 41 2.158 9.898 0.626 1.00 0.00 N ATOM 622 CA PRO A 41 2.174 10.035 -0.825 1.00 0.00 C ATOM 623 C PRO A 41 3.596 10.051 -1.374 1.00 0.00 C ATOM 624 O PRO A 41 4.566 10.251 -0.641 1.00 0.00 O ATOM 625 CB PRO A 41 1.419 11.330 -1.141 1.00 0.00 C ATOM 626 CG PRO A 41 1.560 12.152 0.134 1.00 0.00 C ATOM 627 CD PRO A 41 1.582 11.094 1.231 1.00 0.00 C ATOM 0 HA PRO A 41 1.694 9.182 -1.305 1.00 0.00 H new ATOM 0 HB2 PRO A 41 1.850 11.845 -1.999 1.00 0.00 H new ATOM 0 HB3 PRO A 41 0.373 11.136 -1.378 1.00 0.00 H new ATOM 0 HG2 PRO A 41 2.473 12.747 0.130 1.00 0.00 H new ATOM 0 HG3 PRO A 41 0.728 12.845 0.260 1.00 0.00 H new ATOM 0 HD2 PRO A 41 2.177 11.426 2.081 1.00 0.00 H new ATOM 0 HD3 PRO A 41 0.577 10.897 1.603 1.00 0.00 H new ATOM 635 N LEU A 42 3.729 9.881 -2.691 1.00 0.00 N ATOM 636 CA LEU A 42 5.034 9.877 -3.342 1.00 0.00 C ATOM 637 C LEU A 42 5.797 11.176 -3.045 1.00 0.00 C ATOM 638 O LEU A 42 7.022 11.147 -2.979 1.00 0.00 O ATOM 639 CB LEU A 42 4.851 9.605 -4.839 1.00 0.00 C ATOM 640 CG LEU A 42 6.142 9.341 -5.633 1.00 0.00 C ATOM 641 CD1 LEU A 42 6.988 8.182 -5.081 1.00 0.00 C ATOM 642 CD2 LEU A 42 5.718 8.978 -7.058 1.00 0.00 C ATOM 0 H LEU A 42 2.943 9.744 -3.327 1.00 0.00 H new ATOM 0 HA LEU A 42 5.652 9.075 -2.939 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.193 8.744 -4.955 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.341 10.459 -5.285 1.00 0.00 H new ATOM 0 HG LEU A 42 6.760 10.236 -5.572 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.881 8.059 -5.694 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.281 8.402 -4.054 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.403 7.262 -5.102 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.604 8.781 -7.662 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.089 8.088 -7.035 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.159 9.806 -7.493 1.00 0.00 H new ATOM 654 N SER A 43 5.081 12.275 -2.780 1.00 0.00 N ATOM 655 CA SER A 43 5.606 13.590 -2.452 1.00 0.00 C ATOM 656 C SER A 43 6.658 13.496 -1.339 1.00 0.00 C ATOM 657 O SER A 43 7.816 13.873 -1.534 1.00 0.00 O ATOM 658 CB SER A 43 4.448 14.508 -1.999 1.00 0.00 C ATOM 659 OG SER A 43 3.219 14.176 -2.613 1.00 0.00 O ATOM 0 H SER A 43 4.061 12.261 -2.791 1.00 0.00 H new ATOM 0 HA SER A 43 6.082 14.007 -3.340 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.339 14.441 -0.917 1.00 0.00 H new ATOM 0 HB3 SER A 43 4.698 15.543 -2.231 1.00 0.00 H new ATOM 0 HG SER A 43 2.519 14.783 -2.293 1.00 0.00 H new ATOM 665 N VAL A 44 6.253 12.973 -0.178 1.00 0.00 N ATOM 666 CA VAL A 44 7.109 12.837 0.989 1.00 0.00 C ATOM 667 C VAL A 44 8.137 11.726 0.825 1.00 0.00 C ATOM 668 O VAL A 44 9.270 11.867 1.268 1.00 0.00 O ATOM 669 CB VAL A 44 6.232 12.728 2.246 1.00 0.00 C ATOM 670 CG1 VAL A 44 5.395 11.451 2.392 1.00 0.00 C ATOM 671 CG2 VAL A 44 7.055 12.967 3.515 1.00 0.00 C ATOM 0 H VAL A 44 5.305 12.629 -0.027 1.00 0.00 H new ATOM 0 HA VAL A 44 7.721 13.731 1.106 1.00 0.00 H new ATOM 0 HB VAL A 44 5.496 13.520 2.108 1.00 0.00 H new ATOM 0 HG11 VAL A 44 4.822 11.496 3.318 1.00 0.00 H new ATOM 0 HG12 VAL A 44 4.713 11.365 1.546 1.00 0.00 H new ATOM 0 HG13 VAL A 44 6.055 10.584 2.416 1.00 0.00 H new ATOM 0 HG21 VAL A 44 6.409 12.884 4.389 1.00 0.00 H new ATOM 0 HG22 VAL A 44 7.849 12.223 3.579 1.00 0.00 H new ATOM 0 HG23 VAL A 44 7.494 13.964 3.482 1.00 0.00 H new ATOM 681 N LEU A 45 7.793 10.643 0.135 1.00 0.00 N ATOM 682 CA LEU A 45 8.735 9.533 -0.074 1.00 0.00 C ATOM 683 C LEU A 45 9.957 9.964 -0.888 1.00 0.00 C ATOM 684 O LEU A 45 11.038 9.413 -0.718 1.00 0.00 O ATOM 685 CB LEU A 45 8.079 8.397 -0.859 1.00 0.00 C ATOM 686 CG LEU A 45 7.062 7.510 -0.130 1.00 0.00 C ATOM 687 CD1 LEU A 45 7.695 6.178 0.271 1.00 0.00 C ATOM 688 CD2 LEU A 45 6.411 8.050 1.146 1.00 0.00 C ATOM 0 H LEU A 45 6.876 10.504 -0.289 1.00 0.00 H new ATOM 0 HA LEU A 45 9.034 9.209 0.923 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.581 8.834 -1.725 1.00 0.00 H new ATOM 0 HB3 LEU A 45 8.872 7.753 -1.239 1.00 0.00 H new ATOM 0 HG LEU A 45 6.274 7.438 -0.880 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.956 5.565 0.787 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.041 5.656 -0.621 1.00 0.00 H new ATOM 0 HD13 LEU A 45 8.540 6.362 0.934 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.718 7.308 1.543 1.00 0.00 H new ATOM 0 HD22 LEU A 45 7.182 8.259 1.887 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.869 8.968 0.918 1.00 0.00 H new ATOM 700 N GLU A 46 9.776 10.900 -1.807 1.00 0.00 N ATOM 701 CA GLU A 46 10.803 11.429 -2.679 1.00 0.00 C ATOM 702 C GLU A 46 11.601 12.527 -1.981 1.00 0.00 C ATOM 703 O GLU A 46 12.770 12.733 -2.311 1.00 0.00 O ATOM 704 CB GLU A 46 10.082 12.021 -3.896 1.00 0.00 C ATOM 705 CG GLU A 46 9.643 10.983 -4.938 1.00 0.00 C ATOM 706 CD GLU A 46 10.763 10.494 -5.866 1.00 0.00 C ATOM 707 OE1 GLU A 46 10.449 9.952 -6.950 1.00 0.00 O ATOM 708 OE2 GLU A 46 11.960 10.532 -5.505 1.00 0.00 O ATOM 0 H GLU A 46 8.865 11.329 -1.969 1.00 0.00 H new ATOM 0 HA GLU A 46 11.502 10.642 -2.962 1.00 0.00 H new ATOM 0 HB2 GLU A 46 9.204 12.568 -3.553 1.00 0.00 H new ATOM 0 HB3 GLU A 46 10.740 12.745 -4.377 1.00 0.00 H new ATOM 0 HG2 GLU A 46 9.219 10.124 -4.419 1.00 0.00 H new ATOM 0 HG3 GLU A 46 8.847 11.413 -5.546 1.00 0.00 H new ATOM 715 N GLN A 47 10.973 13.217 -1.030 1.00 0.00 N ATOM 716 CA GLN A 47 11.518 14.308 -0.257 1.00 0.00 C ATOM 717 C GLN A 47 12.305 13.859 0.975 1.00 0.00 C ATOM 718 O GLN A 47 13.360 14.431 1.251 1.00 0.00 O ATOM 719 CB GLN A 47 10.301 15.137 0.179 1.00 0.00 C ATOM 720 CG GLN A 47 10.641 16.302 1.098 1.00 0.00 C ATOM 721 CD GLN A 47 9.396 17.106 1.448 1.00 0.00 C ATOM 722 OE1 GLN A 47 8.502 16.611 2.127 1.00 0.00 O ATOM 723 NE2 GLN A 47 9.286 18.340 0.993 1.00 0.00 N ATOM 0 H GLN A 47 10.009 13.008 -0.770 1.00 0.00 H new ATOM 0 HA GLN A 47 12.234 14.864 -0.862 1.00 0.00 H new ATOM 0 HB2 GLN A 47 9.800 15.523 -0.709 1.00 0.00 H new ATOM 0 HB3 GLN A 47 9.592 14.483 0.686 1.00 0.00 H new ATOM 0 HG2 GLN A 47 11.103 15.926 2.011 1.00 0.00 H new ATOM 0 HG3 GLN A 47 11.372 16.950 0.614 1.00 0.00 H new ATOM 0 HE21 GLN A 47 10.034 18.744 0.429 1.00 0.00 H new ATOM 0 HE22 GLN A 47 8.453 18.889 1.205 1.00 0.00 H new ATOM 732 N SER A 48 11.795 12.866 1.704 1.00 0.00 N ATOM 733 CA SER A 48 12.398 12.370 2.938 1.00 0.00 C ATOM 734 C SER A 48 12.261 10.855 3.166 1.00 0.00 C ATOM 735 O SER A 48 12.652 10.354 4.227 1.00 0.00 O ATOM 736 CB SER A 48 11.737 13.142 4.089 1.00 0.00 C ATOM 737 OG SER A 48 11.974 14.542 4.014 1.00 0.00 O ATOM 0 H SER A 48 10.937 12.377 1.448 1.00 0.00 H new ATOM 0 HA SER A 48 13.474 12.534 2.877 1.00 0.00 H new ATOM 0 HB2 SER A 48 10.663 12.958 4.076 1.00 0.00 H new ATOM 0 HB3 SER A 48 12.114 12.764 5.039 1.00 0.00 H new ATOM 0 HG SER A 48 11.533 14.989 4.766 1.00 0.00 H new ATOM 743 N GLY A 49 11.686 10.106 2.226 1.00 0.00 N ATOM 744 CA GLY A 49 11.543 8.666 2.362 1.00 0.00 C ATOM 745 C GLY A 49 10.468 8.232 3.354 1.00 0.00 C ATOM 746 O GLY A 49 9.692 9.027 3.884 1.00 0.00 O ATOM 0 H GLY A 49 11.310 10.482 1.356 1.00 0.00 H new ATOM 0 HA2 GLY A 49 11.312 8.242 1.385 1.00 0.00 H new ATOM 0 HA3 GLY A 49 12.499 8.246 2.674 1.00 0.00 H new ATOM 750 N LEU A 50 10.430 6.921 3.587 1.00 0.00 N ATOM 751 CA LEU A 50 9.497 6.222 4.461 1.00 0.00 C ATOM 752 C LEU A 50 9.521 6.709 5.918 1.00 0.00 C ATOM 753 O LEU A 50 10.616 6.869 6.470 1.00 0.00 O ATOM 754 CB LEU A 50 9.896 4.738 4.448 1.00 0.00 C ATOM 755 CG LEU A 50 8.883 3.816 5.147 1.00 0.00 C ATOM 756 CD1 LEU A 50 7.721 3.502 4.201 1.00 0.00 C ATOM 757 CD2 LEU A 50 9.591 2.534 5.562 1.00 0.00 C ATOM 0 H LEU A 50 11.090 6.283 3.143 1.00 0.00 H new ATOM 0 HA LEU A 50 8.490 6.408 4.087 1.00 0.00 H new ATOM 0 HB2 LEU A 50 10.016 4.413 3.415 1.00 0.00 H new ATOM 0 HB3 LEU A 50 10.867 4.628 4.931 1.00 0.00 H new ATOM 0 HG LEU A 50 8.480 4.311 6.031 1.00 0.00 H new ATOM 0 HD11 LEU A 50 7.008 2.848 4.704 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.224 4.429 3.915 1.00 0.00 H new ATOM 0 HD13 LEU A 50 8.102 3.005 3.309 1.00 0.00 H new ATOM 0 HD21 LEU A 50 8.882 1.872 6.059 1.00 0.00 H new ATOM 0 HD22 LEU A 50 9.993 2.038 4.679 1.00 0.00 H new ATOM 0 HD23 LEU A 50 10.405 2.773 6.246 1.00 0.00 H new ATOM 769 N PRO A 51 8.359 6.886 6.575 1.00 0.00 N ATOM 770 CA PRO A 51 8.300 7.306 7.967 1.00 0.00 C ATOM 771 C PRO A 51 8.601 6.150 8.927 1.00 0.00 C ATOM 772 O PRO A 51 8.282 4.989 8.660 1.00 0.00 O ATOM 773 CB PRO A 51 6.855 7.729 8.207 1.00 0.00 C ATOM 774 CG PRO A 51 6.056 6.911 7.204 1.00 0.00 C ATOM 775 CD PRO A 51 7.013 6.749 6.030 1.00 0.00 C ATOM 0 HA PRO A 51 9.032 8.094 8.145 1.00 0.00 H new ATOM 0 HB2 PRO A 51 6.543 7.520 9.230 1.00 0.00 H new ATOM 0 HB3 PRO A 51 6.721 8.799 8.046 1.00 0.00 H new ATOM 0 HG2 PRO A 51 5.762 5.946 7.617 1.00 0.00 H new ATOM 0 HG3 PRO A 51 5.141 7.423 6.907 1.00 0.00 H new ATOM 0 HD2 PRO A 51 6.883 5.777 5.555 1.00 0.00 H new ATOM 0 HD3 PRO A 51 6.824 7.505 5.267 1.00 0.00 H new ATOM 783 N ALA A 52 9.099 6.497 10.114 1.00 0.00 N ATOM 784 CA ALA A 52 9.437 5.571 11.189 1.00 0.00 C ATOM 785 C ALA A 52 8.214 4.743 11.600 1.00 0.00 C ATOM 786 O ALA A 52 8.302 3.534 11.783 1.00 0.00 O ATOM 787 CB ALA A 52 9.946 6.394 12.371 1.00 0.00 C ATOM 0 H ALA A 52 9.284 7.469 10.360 1.00 0.00 H new ATOM 0 HA ALA A 52 10.204 4.873 10.853 1.00 0.00 H new ATOM 0 HB1 ALA A 52 10.207 5.727 13.193 1.00 0.00 H new ATOM 0 HB2 ALA A 52 10.827 6.959 12.068 1.00 0.00 H new ATOM 0 HB3 ALA A 52 9.167 7.083 12.697 1.00 0.00 H new ATOM 793 N LYS A 53 7.033 5.363 11.691 1.00 0.00 N ATOM 794 CA LYS A 53 5.809 4.650 12.070 1.00 0.00 C ATOM 795 C LYS A 53 5.421 3.519 11.108 1.00 0.00 C ATOM 796 O LYS A 53 4.520 2.750 11.453 1.00 0.00 O ATOM 797 CB LYS A 53 4.651 5.632 12.292 1.00 0.00 C ATOM 798 CG LYS A 53 4.354 6.496 11.058 1.00 0.00 C ATOM 799 CD LYS A 53 2.885 6.434 10.638 1.00 0.00 C ATOM 800 CE LYS A 53 2.660 7.310 9.408 1.00 0.00 C ATOM 801 NZ LYS A 53 2.411 8.712 9.779 1.00 0.00 N ATOM 0 H LYS A 53 6.899 6.357 11.507 1.00 0.00 H new ATOM 0 HA LYS A 53 6.029 4.153 13.015 1.00 0.00 H new ATOM 0 HB2 LYS A 53 3.755 5.074 12.562 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.888 6.281 13.135 1.00 0.00 H new ATOM 0 HG2 LYS A 53 4.624 7.531 11.269 1.00 0.00 H new ATOM 0 HG3 LYS A 53 4.980 6.166 10.229 1.00 0.00 H new ATOM 0 HD2 LYS A 53 2.603 5.404 10.418 1.00 0.00 H new ATOM 0 HD3 LYS A 53 2.249 6.771 11.457 1.00 0.00 H new ATOM 0 HE2 LYS A 53 3.532 7.255 8.757 1.00 0.00 H new ATOM 0 HE3 LYS A 53 1.813 6.928 8.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 2.263 9.278 8.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 1.564 8.767 10.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 3.230 9.084 10.301 1.00 0.00 H new ATOM 815 N LEU A 54 6.023 3.424 9.913 1.00 0.00 N ATOM 816 CA LEU A 54 5.723 2.358 8.959 1.00 0.00 C ATOM 817 C LEU A 54 7.037 1.752 8.454 1.00 0.00 C ATOM 818 O LEU A 54 7.083 1.243 7.341 1.00 0.00 O ATOM 819 CB LEU A 54 4.948 2.931 7.748 1.00 0.00 C ATOM 820 CG LEU A 54 3.736 3.829 8.037 1.00 0.00 C ATOM 821 CD1 LEU A 54 3.338 4.663 6.812 1.00 0.00 C ATOM 822 CD2 LEU A 54 2.542 3.015 8.538 1.00 0.00 C ATOM 0 H LEU A 54 6.729 4.084 9.586 1.00 0.00 H new ATOM 0 HA LEU A 54 5.117 1.599 9.454 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.650 3.501 7.139 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.607 2.093 7.141 1.00 0.00 H new ATOM 0 HG LEU A 54 4.037 4.517 8.827 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.477 5.284 7.059 1.00 0.00 H new ATOM 0 HD12 LEU A 54 4.173 5.300 6.519 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.081 3.998 5.987 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.702 3.682 8.732 1.00 0.00 H new ATOM 0 HD22 LEU A 54 2.257 2.284 7.781 1.00 0.00 H new ATOM 0 HD23 LEU A 54 2.815 2.498 9.458 1.00 0.00 H new ATOM 834 N ARG A 55 8.052 1.650 9.315 1.00 0.00 N ATOM 835 CA ARG A 55 9.376 1.091 8.993 1.00 0.00 C ATOM 836 C ARG A 55 9.534 -0.387 9.359 1.00 0.00 C ATOM 837 O ARG A 55 10.649 -0.908 9.261 1.00 0.00 O ATOM 838 CB ARG A 55 10.459 1.953 9.663 1.00 0.00 C ATOM 839 CG ARG A 55 10.534 1.755 11.188 1.00 0.00 C ATOM 840 CD ARG A 55 11.691 0.874 11.665 1.00 0.00 C ATOM 841 NE ARG A 55 11.284 0.028 12.798 1.00 0.00 N ATOM 842 CZ ARG A 55 11.996 -0.985 13.308 1.00 0.00 C ATOM 843 NH1 ARG A 55 13.210 -1.266 12.852 1.00 0.00 N ATOM 844 NH2 ARG A 55 11.495 -1.714 14.296 1.00 0.00 N ATOM 0 H ARG A 55 7.978 1.961 10.283 1.00 0.00 H new ATOM 0 HA ARG A 55 9.487 1.122 7.909 1.00 0.00 H new ATOM 0 HB2 ARG A 55 11.428 1.714 9.224 1.00 0.00 H new ATOM 0 HB3 ARG A 55 10.262 3.003 9.449 1.00 0.00 H new ATOM 0 HG2 ARG A 55 10.620 2.732 11.663 1.00 0.00 H new ATOM 0 HG3 ARG A 55 9.597 1.316 11.530 1.00 0.00 H new ATOM 0 HD2 ARG A 55 12.035 0.245 10.844 1.00 0.00 H new ATOM 0 HD3 ARG A 55 12.532 1.502 11.960 1.00 0.00 H new ATOM 0 HE ARG A 55 10.383 0.230 13.232 1.00 0.00 H new ATOM 0 HH11 ARG A 55 13.615 -0.707 12.101 1.00 0.00 H new ATOM 0 HH12 ARG A 55 13.738 -2.041 13.252 1.00 0.00 H new ATOM 0 HH21 ARG A 55 10.568 -1.503 14.666 1.00 0.00 H new ATOM 0 HH22 ARG A 55 12.036 -2.486 14.685 1.00 0.00 H new ATOM 858 N HIS A 56 8.451 -1.039 9.784 1.00 0.00 N ATOM 859 CA HIS A 56 8.394 -2.434 10.207 1.00 0.00 C ATOM 860 C HIS A 56 9.174 -3.412 9.311 1.00 0.00 C ATOM 861 O HIS A 56 9.467 -3.138 8.152 1.00 0.00 O ATOM 862 CB HIS A 56 6.934 -2.853 10.442 1.00 0.00 C ATOM 863 CG HIS A 56 6.810 -3.962 11.455 1.00 0.00 C ATOM 864 ND1 HIS A 56 6.111 -5.133 11.293 1.00 0.00 N ATOM 865 CD2 HIS A 56 7.380 -3.987 12.701 1.00 0.00 C ATOM 866 CE1 HIS A 56 6.276 -5.856 12.412 1.00 0.00 C ATOM 867 NE2 HIS A 56 7.059 -5.211 13.293 1.00 0.00 N ATOM 0 H HIS A 56 7.542 -0.581 9.845 1.00 0.00 H new ATOM 0 HA HIS A 56 8.927 -2.497 11.156 1.00 0.00 H new ATOM 0 HB2 HIS A 56 6.361 -1.990 10.781 1.00 0.00 H new ATOM 0 HB3 HIS A 56 6.495 -3.176 9.498 1.00 0.00 H new ATOM 0 HD1 HIS A 56 5.567 -5.403 10.474 1.00 0.00 H new ATOM 0 HD2 HIS A 56 7.972 -3.201 13.146 1.00 0.00 H new ATOM 0 HE1 HIS A 56 5.837 -6.828 12.582 1.00 0.00 H new ATOM 875 N GLU A 57 9.463 -4.602 9.837 1.00 0.00 N ATOM 876 CA GLU A 57 10.236 -5.665 9.190 1.00 0.00 C ATOM 877 C GLU A 57 9.720 -6.140 7.826 1.00 0.00 C ATOM 878 O GLU A 57 10.468 -6.751 7.057 1.00 0.00 O ATOM 879 CB GLU A 57 10.395 -6.814 10.193 1.00 0.00 C ATOM 880 CG GLU A 57 11.700 -7.585 9.964 1.00 0.00 C ATOM 881 CD GLU A 57 12.039 -8.516 11.123 1.00 0.00 C ATOM 882 OE1 GLU A 57 12.397 -9.692 10.875 1.00 0.00 O ATOM 883 OE2 GLU A 57 12.045 -8.057 12.287 1.00 0.00 O ATOM 0 H GLU A 57 9.150 -4.865 10.771 1.00 0.00 H new ATOM 0 HA GLU A 57 11.205 -5.240 8.927 1.00 0.00 H new ATOM 0 HB2 GLU A 57 10.379 -6.417 11.208 1.00 0.00 H new ATOM 0 HB3 GLU A 57 9.549 -7.495 10.104 1.00 0.00 H new ATOM 0 HG2 GLU A 57 11.618 -8.167 9.046 1.00 0.00 H new ATOM 0 HG3 GLU A 57 12.516 -6.877 9.820 1.00 0.00 H new ATOM 890 N GLN A 58 8.449 -5.898 7.523 1.00 0.00 N ATOM 891 CA GLN A 58 7.803 -6.241 6.271 1.00 0.00 C ATOM 892 C GLN A 58 6.837 -5.101 6.004 1.00 0.00 C ATOM 893 O GLN A 58 6.074 -4.716 6.900 1.00 0.00 O ATOM 894 CB GLN A 58 7.046 -7.574 6.333 1.00 0.00 C ATOM 895 CG GLN A 58 7.936 -8.818 6.528 1.00 0.00 C ATOM 896 CD GLN A 58 8.070 -9.236 7.992 1.00 0.00 C ATOM 897 OE1 GLN A 58 7.100 -9.205 8.747 1.00 0.00 O ATOM 898 NE2 GLN A 58 9.241 -9.664 8.430 1.00 0.00 N ATOM 0 H GLN A 58 7.816 -5.436 8.177 1.00 0.00 H new ATOM 0 HA GLN A 58 8.544 -6.370 5.482 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.326 -7.529 7.150 1.00 0.00 H new ATOM 0 HB3 GLN A 58 6.475 -7.694 5.412 1.00 0.00 H new ATOM 0 HG2 GLN A 58 7.521 -9.648 5.956 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.927 -8.616 6.122 1.00 0.00 H new ATOM 0 HE21 GLN A 58 10.043 -9.688 7.800 1.00 0.00 H new ATOM 0 HE22 GLN A 58 9.343 -9.970 9.398 1.00 0.00 H new ATOM 907 N ILE A 59 6.907 -4.512 4.816 1.00 0.00 N ATOM 908 CA ILE A 59 6.039 -3.424 4.431 1.00 0.00 C ATOM 909 C ILE A 59 5.525 -3.700 3.005 1.00 0.00 C ATOM 910 O ILE A 59 6.013 -4.599 2.318 1.00 0.00 O ATOM 911 CB ILE A 59 6.701 -2.056 4.743 1.00 0.00 C ATOM 912 CG1 ILE A 59 7.463 -1.376 3.604 1.00 0.00 C ATOM 913 CG2 ILE A 59 7.615 -1.992 5.984 1.00 0.00 C ATOM 914 CD1 ILE A 59 7.106 0.100 3.528 1.00 0.00 C ATOM 0 H ILE A 59 7.574 -4.783 4.094 1.00 0.00 H new ATOM 0 HA ILE A 59 5.131 -3.358 5.030 1.00 0.00 H new ATOM 0 HB ILE A 59 5.780 -1.507 4.939 1.00 0.00 H new ATOM 0 HG12 ILE A 59 8.536 -1.489 3.759 1.00 0.00 H new ATOM 0 HG13 ILE A 59 7.225 -1.863 2.658 1.00 0.00 H new ATOM 0 HG21 ILE A 59 8.014 -0.983 6.090 1.00 0.00 H new ATOM 0 HG22 ILE A 59 7.040 -2.250 6.873 1.00 0.00 H new ATOM 0 HG23 ILE A 59 8.438 -2.697 5.867 1.00 0.00 H new ATOM 0 HD11 ILE A 59 7.658 0.566 2.712 1.00 0.00 H new ATOM 0 HD12 ILE A 59 6.036 0.207 3.350 1.00 0.00 H new ATOM 0 HD13 ILE A 59 7.368 0.587 4.468 1.00 0.00 H new ATOM 926 N ILE A 60 4.518 -2.968 2.546 1.00 0.00 N ATOM 927 CA ILE A 60 3.896 -3.129 1.227 1.00 0.00 C ATOM 928 C ILE A 60 3.717 -1.752 0.596 1.00 0.00 C ATOM 929 O ILE A 60 3.551 -0.750 1.289 1.00 0.00 O ATOM 930 CB ILE A 60 2.558 -3.928 1.334 1.00 0.00 C ATOM 931 CG1 ILE A 60 2.786 -5.306 2.004 1.00 0.00 C ATOM 932 CG2 ILE A 60 1.858 -4.064 -0.041 1.00 0.00 C ATOM 933 CD1 ILE A 60 1.735 -6.394 1.730 1.00 0.00 C ATOM 0 H ILE A 60 4.094 -2.220 3.095 1.00 0.00 H new ATOM 0 HA ILE A 60 4.542 -3.718 0.576 1.00 0.00 H new ATOM 0 HB ILE A 60 1.884 -3.359 1.974 1.00 0.00 H new ATOM 0 HG12 ILE A 60 3.757 -5.683 1.683 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.844 -5.154 3.082 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.931 -4.626 0.076 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.634 -3.073 -0.435 1.00 0.00 H new ATOM 0 HG23 ILE A 60 2.516 -4.589 -0.734 1.00 0.00 H new ATOM 0 HD11 ILE A 60 2.012 -7.308 2.256 1.00 0.00 H new ATOM 0 HD12 ILE A 60 0.760 -6.055 2.080 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.687 -6.592 0.659 1.00 0.00 H new ATOM 945 N PHE A 61 3.734 -1.700 -0.730 1.00 0.00 N ATOM 946 CA PHE A 61 3.584 -0.495 -1.518 1.00 0.00 C ATOM 947 C PHE A 61 2.431 -0.663 -2.509 1.00 0.00 C ATOM 948 O PHE A 61 2.176 -1.761 -3.020 1.00 0.00 O ATOM 949 CB PHE A 61 4.924 -0.187 -2.194 1.00 0.00 C ATOM 950 CG PHE A 61 5.859 0.639 -1.340 1.00 0.00 C ATOM 951 CD1 PHE A 61 5.822 2.040 -1.423 1.00 0.00 C ATOM 952 CD2 PHE A 61 6.761 0.024 -0.460 1.00 0.00 C ATOM 953 CE1 PHE A 61 6.671 2.818 -0.622 1.00 0.00 C ATOM 954 CE2 PHE A 61 7.663 0.804 0.281 1.00 0.00 C ATOM 955 CZ PHE A 61 7.611 2.203 0.216 1.00 0.00 C ATOM 0 H PHE A 61 3.858 -2.534 -1.304 1.00 0.00 H new ATOM 0 HA PHE A 61 3.326 0.358 -0.891 1.00 0.00 H new ATOM 0 HB2 PHE A 61 5.415 -1.125 -2.452 1.00 0.00 H new ATOM 0 HB3 PHE A 61 4.737 0.342 -3.128 1.00 0.00 H new ATOM 0 HD1 PHE A 61 5.137 2.521 -2.106 1.00 0.00 H new ATOM 0 HD2 PHE A 61 6.762 -1.051 -0.352 1.00 0.00 H new ATOM 0 HE1 PHE A 61 6.600 3.895 -0.651 1.00 0.00 H new ATOM 0 HE2 PHE A 61 8.402 0.323 0.905 1.00 0.00 H new ATOM 0 HZ PHE A 61 8.289 2.802 0.806 1.00 0.00 H new ATOM 965 N HIS A 62 1.732 0.436 -2.803 1.00 0.00 N ATOM 966 CA HIS A 62 0.597 0.488 -3.707 1.00 0.00 C ATOM 967 C HIS A 62 0.337 1.905 -4.210 1.00 0.00 C ATOM 968 O HIS A 62 0.877 2.881 -3.701 1.00 0.00 O ATOM 969 CB HIS A 62 -0.644 -0.059 -2.985 1.00 0.00 C ATOM 970 CG HIS A 62 -1.692 0.947 -2.545 1.00 0.00 C ATOM 971 ND1 HIS A 62 -1.605 1.846 -1.502 1.00 0.00 N ATOM 972 CD2 HIS A 62 -2.915 1.136 -3.134 1.00 0.00 C ATOM 973 CE1 HIS A 62 -2.741 2.566 -1.496 1.00 0.00 C ATOM 974 NE2 HIS A 62 -3.568 2.172 -2.472 1.00 0.00 N ATOM 0 H HIS A 62 1.956 1.345 -2.399 1.00 0.00 H new ATOM 0 HA HIS A 62 0.822 -0.126 -4.579 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -1.126 -0.782 -3.643 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -0.308 -0.604 -2.103 1.00 0.00 H new ATOM 0 HD1 HIS A 62 -0.823 1.946 -0.855 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -3.306 0.576 -3.970 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -2.958 3.359 -0.795 1.00 0.00 H new ATOM 982 N CYS A 63 -0.505 1.988 -5.231 1.00 0.00 N ATOM 983 CA CYS A 63 -0.963 3.181 -5.914 1.00 0.00 C ATOM 984 C CYS A 63 -2.395 2.875 -6.369 1.00 0.00 C ATOM 985 O CYS A 63 -2.941 1.853 -5.967 1.00 0.00 O ATOM 986 CB CYS A 63 -0.010 3.445 -7.097 1.00 0.00 C ATOM 987 SG CYS A 63 -0.265 2.229 -8.441 1.00 0.00 S ATOM 0 H CYS A 63 -0.918 1.147 -5.634 1.00 0.00 H new ATOM 0 HA CYS A 63 -0.963 4.076 -5.291 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -0.173 4.453 -7.480 1.00 0.00 H new ATOM 0 HB3 CYS A 63 1.023 3.398 -6.752 1.00 0.00 H new ATOM 0 HG CYS A 63 0.543 1.224 -8.276 1.00 0.00 H new ATOM 993 N GLN A 64 -2.960 3.728 -7.218 1.00 0.00 N ATOM 994 CA GLN A 64 -4.284 3.667 -7.823 1.00 0.00 C ATOM 995 C GLN A 64 -4.470 2.374 -8.665 1.00 0.00 C ATOM 996 O GLN A 64 -4.334 1.256 -8.160 1.00 0.00 O ATOM 997 CB GLN A 64 -4.497 5.000 -8.588 1.00 0.00 C ATOM 998 CG GLN A 64 -3.414 5.393 -9.631 1.00 0.00 C ATOM 999 CD GLN A 64 -2.225 6.212 -9.105 1.00 0.00 C ATOM 1000 OE1 GLN A 64 -1.913 6.215 -7.919 1.00 0.00 O ATOM 1001 NE2 GLN A 64 -1.482 6.874 -9.976 1.00 0.00 N ATOM 0 H GLN A 64 -2.453 4.557 -7.528 1.00 0.00 H new ATOM 0 HA GLN A 64 -5.072 3.584 -7.074 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -5.458 4.947 -9.100 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -4.570 5.804 -7.855 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -3.027 4.480 -10.082 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -3.896 5.962 -10.426 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -1.735 6.876 -10.964 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -0.656 7.382 -9.660 1.00 0.00 H new ATOM 1010 N ALA A 65 -4.787 2.468 -9.959 1.00 0.00 N ATOM 1011 CA ALA A 65 -4.972 1.310 -10.823 1.00 0.00 C ATOM 1012 C ALA A 65 -4.240 1.548 -12.141 1.00 0.00 C ATOM 1013 O ALA A 65 -4.863 1.865 -13.158 1.00 0.00 O ATOM 1014 CB ALA A 65 -6.473 1.030 -10.987 1.00 0.00 C ATOM 0 H ALA A 65 -4.923 3.359 -10.436 1.00 0.00 H new ATOM 0 HA ALA A 65 -4.539 0.412 -10.382 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -6.613 0.164 -11.633 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -6.915 0.830 -10.011 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -6.958 1.898 -11.433 1.00 0.00 H new ATOM 1020 N GLY A 66 -2.911 1.421 -12.127 1.00 0.00 N ATOM 1021 CA GLY A 66 -2.103 1.608 -13.325 1.00 0.00 C ATOM 1022 C GLY A 66 -0.691 1.060 -13.190 1.00 0.00 C ATOM 1023 O GLY A 66 0.223 1.647 -13.769 1.00 0.00 O ATOM 0 H GLY A 66 -2.373 1.188 -11.292 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -2.595 1.121 -14.167 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -2.052 2.672 -13.558 1.00 0.00 H new ATOM 1027 N LYS A 67 -0.463 0.037 -12.352 1.00 0.00 N ATOM 1028 CA LYS A 67 0.841 -0.610 -12.113 1.00 0.00 C ATOM 1029 C LYS A 67 1.951 0.350 -11.641 1.00 0.00 C ATOM 1030 O LYS A 67 3.096 -0.069 -11.462 1.00 0.00 O ATOM 1031 CB LYS A 67 1.206 -1.359 -13.411 1.00 0.00 C ATOM 1032 CG LYS A 67 2.235 -2.490 -13.279 1.00 0.00 C ATOM 1033 CD LYS A 67 2.374 -3.152 -14.653 1.00 0.00 C ATOM 1034 CE LYS A 67 3.323 -4.352 -14.615 1.00 0.00 C ATOM 1035 NZ LYS A 67 3.436 -4.980 -15.946 1.00 0.00 N ATOM 0 H LYS A 67 -1.211 -0.381 -11.799 1.00 0.00 H new ATOM 0 HA LYS A 67 0.754 -1.302 -11.275 1.00 0.00 H new ATOM 0 HB2 LYS A 67 0.292 -1.776 -13.833 1.00 0.00 H new ATOM 0 HB3 LYS A 67 1.587 -0.633 -14.129 1.00 0.00 H new ATOM 0 HG2 LYS A 67 3.195 -2.097 -12.944 1.00 0.00 H new ATOM 0 HG3 LYS A 67 1.911 -3.217 -12.534 1.00 0.00 H new ATOM 0 HD2 LYS A 67 1.393 -3.476 -15.001 1.00 0.00 H new ATOM 0 HD3 LYS A 67 2.742 -2.421 -15.373 1.00 0.00 H new ATOM 0 HE2 LYS A 67 4.308 -4.031 -14.276 1.00 0.00 H new ATOM 0 HE3 LYS A 67 2.961 -5.084 -13.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 4.085 -5.791 -15.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 2.499 -5.306 -16.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 3.804 -4.286 -16.627 1.00 0.00 H new ATOM 1049 N ARG A 68 1.593 1.601 -11.324 1.00 0.00 N ATOM 1050 CA ARG A 68 2.393 2.747 -10.886 1.00 0.00 C ATOM 1051 C ARG A 68 3.249 2.584 -9.631 1.00 0.00 C ATOM 1052 O ARG A 68 3.738 3.568 -9.073 1.00 0.00 O ATOM 1053 CB ARG A 68 1.467 3.980 -10.796 1.00 0.00 C ATOM 1054 CG ARG A 68 2.128 5.239 -11.346 1.00 0.00 C ATOM 1055 CD ARG A 68 2.252 5.177 -12.863 1.00 0.00 C ATOM 1056 NE ARG A 68 3.017 6.322 -13.366 1.00 0.00 N ATOM 1057 CZ ARG A 68 2.942 6.833 -14.594 1.00 0.00 C ATOM 1058 NH1 ARG A 68 2.108 6.310 -15.484 1.00 0.00 N ATOM 1059 NH2 ARG A 68 3.712 7.863 -14.920 1.00 0.00 N ATOM 0 H ARG A 68 0.609 1.864 -11.376 1.00 0.00 H new ATOM 0 HA ARG A 68 3.162 2.866 -11.649 1.00 0.00 H new ATOM 0 HB2 ARG A 68 0.548 3.783 -11.349 1.00 0.00 H new ATOM 0 HB3 ARG A 68 1.184 4.145 -9.756 1.00 0.00 H new ATOM 0 HG2 ARG A 68 1.543 6.114 -11.062 1.00 0.00 H new ATOM 0 HG3 ARG A 68 3.116 5.358 -10.902 1.00 0.00 H new ATOM 0 HD2 ARG A 68 2.742 4.249 -13.155 1.00 0.00 H new ATOM 0 HD3 ARG A 68 1.260 5.169 -13.314 1.00 0.00 H new ATOM 0 HE ARG A 68 3.665 6.768 -12.717 1.00 0.00 H new ATOM 0 HH11 ARG A 68 1.522 5.515 -15.228 1.00 0.00 H new ATOM 0 HH12 ARG A 68 2.053 6.703 -16.424 1.00 0.00 H new ATOM 0 HH21 ARG A 68 4.355 8.257 -14.233 1.00 0.00 H new ATOM 0 HH22 ARG A 68 3.661 8.261 -15.858 1.00 0.00 H new ATOM 1073 N THR A 69 3.359 1.365 -9.128 1.00 0.00 N ATOM 1074 CA THR A 69 4.148 1.027 -7.969 1.00 0.00 C ATOM 1075 C THR A 69 5.299 0.189 -8.519 1.00 0.00 C ATOM 1076 O THR A 69 6.438 0.648 -8.536 1.00 0.00 O ATOM 1077 CB THR A 69 3.291 0.287 -6.933 1.00 0.00 C ATOM 1078 OG1 THR A 69 1.961 0.755 -6.888 1.00 0.00 O ATOM 1079 CG2 THR A 69 3.859 0.465 -5.540 1.00 0.00 C ATOM 0 H THR A 69 2.882 0.560 -9.535 1.00 0.00 H new ATOM 0 HA THR A 69 4.531 1.897 -7.435 1.00 0.00 H new ATOM 0 HB THR A 69 3.302 -0.758 -7.243 1.00 0.00 H new ATOM 0 HG1 THR A 69 1.350 -0.004 -6.783 1.00 0.00 H new ATOM 0 HG21 THR A 69 3.236 -0.068 -4.822 1.00 0.00 H new ATOM 0 HG22 THR A 69 4.873 0.066 -5.507 1.00 0.00 H new ATOM 0 HG23 THR A 69 3.878 1.525 -5.287 1.00 0.00 H new ATOM 1087 N SER A 70 4.980 -0.997 -9.050 1.00 0.00 N ATOM 1088 CA SER A 70 5.906 -1.961 -9.619 1.00 0.00 C ATOM 1089 C SER A 70 6.917 -1.361 -10.587 1.00 0.00 C ATOM 1090 O SER A 70 8.117 -1.603 -10.440 1.00 0.00 O ATOM 1091 CB SER A 70 5.086 -3.056 -10.319 1.00 0.00 C ATOM 1092 OG SER A 70 5.902 -4.155 -10.672 1.00 0.00 O ATOM 0 H SER A 70 4.013 -1.320 -9.093 1.00 0.00 H new ATOM 0 HA SER A 70 6.500 -2.365 -8.799 1.00 0.00 H new ATOM 0 HB2 SER A 70 4.284 -3.391 -9.661 1.00 0.00 H new ATOM 0 HB3 SER A 70 4.615 -2.647 -11.213 1.00 0.00 H new ATOM 0 HG SER A 70 5.357 -4.839 -11.114 1.00 0.00 H new ATOM 1098 N ASN A 71 6.465 -0.553 -11.549 1.00 0.00 N ATOM 1099 CA ASN A 71 7.364 0.013 -12.552 1.00 0.00 C ATOM 1100 C ASN A 71 8.535 0.833 -12.017 1.00 0.00 C ATOM 1101 O ASN A 71 9.526 0.988 -12.732 1.00 0.00 O ATOM 1102 CB ASN A 71 6.588 0.817 -13.598 1.00 0.00 C ATOM 1103 CG ASN A 71 7.046 0.464 -15.006 1.00 0.00 C ATOM 1104 OD1 ASN A 71 6.228 0.165 -15.869 1.00 0.00 O ATOM 1105 ND2 ASN A 71 8.332 0.499 -15.302 1.00 0.00 N ATOM 0 H ASN A 71 5.488 -0.279 -11.653 1.00 0.00 H new ATOM 0 HA ASN A 71 7.824 -0.862 -13.010 1.00 0.00 H new ATOM 0 HB2 ASN A 71 5.521 0.617 -13.498 1.00 0.00 H new ATOM 0 HB3 ASN A 71 6.730 1.883 -13.422 1.00 0.00 H new ATOM 0 HD21 ASN A 71 8.644 0.278 -16.248 1.00 0.00 H new ATOM 0 HD22 ASN A 71 9.014 0.748 -14.585 1.00 0.00 H new ATOM 1112 N ASN A 72 8.439 1.385 -10.807 1.00 0.00 N ATOM 1113 CA ASN A 72 9.501 2.184 -10.186 1.00 0.00 C ATOM 1114 C ASN A 72 9.720 1.709 -8.749 1.00 0.00 C ATOM 1115 O ASN A 72 10.182 2.472 -7.891 1.00 0.00 O ATOM 1116 CB ASN A 72 9.172 3.686 -10.248 1.00 0.00 C ATOM 1117 CG ASN A 72 8.875 4.201 -11.653 1.00 0.00 C ATOM 1118 OD1 ASN A 72 7.898 4.912 -11.874 1.00 0.00 O ATOM 1119 ND2 ASN A 72 9.691 3.894 -12.648 1.00 0.00 N ATOM 0 H ASN A 72 7.610 1.289 -10.221 1.00 0.00 H new ATOM 0 HA ASN A 72 10.428 2.043 -10.742 1.00 0.00 H new ATOM 0 HB2 ASN A 72 8.311 3.885 -9.610 1.00 0.00 H new ATOM 0 HB3 ASN A 72 10.010 4.248 -9.836 1.00 0.00 H new ATOM 0 HD21 ASN A 72 9.506 4.247 -13.587 1.00 0.00 H new ATOM 0 HD22 ASN A 72 10.505 3.304 -12.476 1.00 0.00 H new ATOM 1126 N ALA A 73 9.355 0.458 -8.463 1.00 0.00 N ATOM 1127 CA ALA A 73 9.478 -0.122 -7.141 1.00 0.00 C ATOM 1128 C ALA A 73 10.919 -0.308 -6.673 1.00 0.00 C ATOM 1129 O ALA A 73 11.119 -0.415 -5.469 1.00 0.00 O ATOM 1130 CB ALA A 73 8.718 -1.445 -7.077 1.00 0.00 C ATOM 0 H ALA A 73 8.963 -0.180 -9.155 1.00 0.00 H new ATOM 0 HA ALA A 73 9.036 0.597 -6.451 1.00 0.00 H new ATOM 0 HB1 ALA A 73 8.816 -1.873 -6.079 1.00 0.00 H new ATOM 0 HB2 ALA A 73 7.664 -1.270 -7.295 1.00 0.00 H new ATOM 0 HB3 ALA A 73 9.130 -2.137 -7.811 1.00 0.00 H new ATOM 1136 N ASP A 74 11.931 -0.299 -7.549 1.00 0.00 N ATOM 1137 CA ASP A 74 13.318 -0.495 -7.091 1.00 0.00 C ATOM 1138 C ASP A 74 13.719 0.601 -6.105 1.00 0.00 C ATOM 1139 O ASP A 74 14.309 0.316 -5.063 1.00 0.00 O ATOM 1140 CB ASP A 74 14.318 -0.614 -8.244 1.00 0.00 C ATOM 1141 CG ASP A 74 15.652 -1.174 -7.742 1.00 0.00 C ATOM 1142 OD1 ASP A 74 15.665 -2.294 -7.177 1.00 0.00 O ATOM 1143 OD2 ASP A 74 16.700 -0.522 -7.937 1.00 0.00 O ATOM 0 H ASP A 74 11.825 -0.162 -8.554 1.00 0.00 H new ATOM 0 HA ASP A 74 13.350 -1.453 -6.572 1.00 0.00 H new ATOM 0 HB2 ASP A 74 13.913 -1.264 -9.019 1.00 0.00 H new ATOM 0 HB3 ASP A 74 14.476 0.364 -8.699 1.00 0.00 H new ATOM 1148 N LYS A 75 13.345 1.857 -6.386 1.00 0.00 N ATOM 1149 CA LYS A 75 13.661 2.960 -5.480 1.00 0.00 C ATOM 1150 C LYS A 75 12.775 2.866 -4.232 1.00 0.00 C ATOM 1151 O LYS A 75 13.165 3.334 -3.168 1.00 0.00 O ATOM 1152 CB LYS A 75 13.643 4.326 -6.206 1.00 0.00 C ATOM 1153 CG LYS A 75 12.300 5.037 -6.389 1.00 0.00 C ATOM 1154 CD LYS A 75 11.934 5.916 -5.183 1.00 0.00 C ATOM 1155 CE LYS A 75 11.896 7.425 -5.471 1.00 0.00 C ATOM 1156 NZ LYS A 75 13.200 8.116 -5.360 1.00 0.00 N ATOM 0 H LYS A 75 12.830 2.128 -7.224 1.00 0.00 H new ATOM 0 HA LYS A 75 14.689 2.874 -5.129 1.00 0.00 H new ATOM 0 HB2 LYS A 75 14.304 5.000 -5.661 1.00 0.00 H new ATOM 0 HB3 LYS A 75 14.080 4.182 -7.194 1.00 0.00 H new ATOM 0 HG2 LYS A 75 12.338 5.654 -7.287 1.00 0.00 H new ATOM 0 HG3 LYS A 75 11.517 4.295 -6.545 1.00 0.00 H new ATOM 0 HD2 LYS A 75 10.958 5.607 -4.810 1.00 0.00 H new ATOM 0 HD3 LYS A 75 12.653 5.731 -4.385 1.00 0.00 H new ATOM 0 HE2 LYS A 75 11.505 7.578 -6.477 1.00 0.00 H new ATOM 0 HE3 LYS A 75 11.194 7.894 -4.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 13.045 9.143 -5.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 13.694 7.790 -4.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 13.779 7.901 -6.197 1.00 0.00 H new ATOM 1170 N LEU A 76 11.566 2.292 -4.335 1.00 0.00 N ATOM 1171 CA LEU A 76 10.654 2.132 -3.195 1.00 0.00 C ATOM 1172 C LEU A 76 11.222 1.094 -2.228 1.00 0.00 C ATOM 1173 O LEU A 76 11.132 1.283 -1.017 1.00 0.00 O ATOM 1174 CB LEU A 76 9.224 1.737 -3.613 1.00 0.00 C ATOM 1175 CG LEU A 76 8.517 2.783 -4.491 1.00 0.00 C ATOM 1176 CD1 LEU A 76 7.138 2.282 -4.937 1.00 0.00 C ATOM 1177 CD2 LEU A 76 8.348 4.131 -3.775 1.00 0.00 C ATOM 0 H LEU A 76 11.195 1.926 -5.212 1.00 0.00 H new ATOM 0 HA LEU A 76 10.578 3.104 -2.707 1.00 0.00 H new ATOM 0 HB2 LEU A 76 9.263 0.791 -4.153 1.00 0.00 H new ATOM 0 HB3 LEU A 76 8.628 1.568 -2.716 1.00 0.00 H new ATOM 0 HG LEU A 76 9.157 2.933 -5.360 1.00 0.00 H new ATOM 0 HD11 LEU A 76 6.658 3.040 -5.557 1.00 0.00 H new ATOM 0 HD12 LEU A 76 7.253 1.363 -5.512 1.00 0.00 H new ATOM 0 HD13 LEU A 76 6.521 2.087 -4.060 1.00 0.00 H new ATOM 0 HD21 LEU A 76 7.844 4.834 -4.438 1.00 0.00 H new ATOM 0 HD22 LEU A 76 7.752 3.992 -2.873 1.00 0.00 H new ATOM 0 HD23 LEU A 76 9.328 4.525 -3.506 1.00 0.00 H new ATOM 1189 N ALA A 77 11.817 0.017 -2.754 1.00 0.00 N ATOM 1190 CA ALA A 77 12.422 -1.036 -1.956 1.00 0.00 C ATOM 1191 C ALA A 77 13.515 -0.399 -1.091 1.00 0.00 C ATOM 1192 O ALA A 77 13.509 -0.547 0.127 1.00 0.00 O ATOM 1193 CB ALA A 77 12.987 -2.143 -2.846 1.00 0.00 C ATOM 0 H ALA A 77 11.889 -0.142 -3.759 1.00 0.00 H new ATOM 0 HA ALA A 77 11.672 -1.504 -1.318 1.00 0.00 H new ATOM 0 HB1 ALA A 77 13.434 -2.918 -2.223 1.00 0.00 H new ATOM 0 HB2 ALA A 77 12.184 -2.575 -3.443 1.00 0.00 H new ATOM 0 HB3 ALA A 77 13.747 -1.726 -3.507 1.00 0.00 H new ATOM 1199 N ALA A 78 14.417 0.369 -1.713 1.00 0.00 N ATOM 1200 CA ALA A 78 15.516 1.058 -1.040 1.00 0.00 C ATOM 1201 C ALA A 78 15.018 2.052 0.008 1.00 0.00 C ATOM 1202 O ALA A 78 15.640 2.214 1.061 1.00 0.00 O ATOM 1203 CB ALA A 78 16.356 1.787 -2.085 1.00 0.00 C ATOM 0 H ALA A 78 14.400 0.530 -2.720 1.00 0.00 H new ATOM 0 HA ALA A 78 16.115 0.312 -0.518 1.00 0.00 H new ATOM 0 HB1 ALA A 78 17.179 2.305 -1.593 1.00 0.00 H new ATOM 0 HB2 ALA A 78 16.755 1.066 -2.798 1.00 0.00 H new ATOM 0 HB3 ALA A 78 15.734 2.512 -2.611 1.00 0.00 H new ATOM 1209 N ILE A 79 13.909 2.733 -0.273 1.00 0.00 N ATOM 1210 CA ILE A 79 13.280 3.711 0.608 1.00 0.00 C ATOM 1211 C ILE A 79 12.796 3.054 1.906 1.00 0.00 C ATOM 1212 O ILE A 79 12.711 3.738 2.927 1.00 0.00 O ATOM 1213 CB ILE A 79 12.141 4.394 -0.192 1.00 0.00 C ATOM 1214 CG1 ILE A 79 12.699 5.667 -0.850 1.00 0.00 C ATOM 1215 CG2 ILE A 79 10.863 4.701 0.592 1.00 0.00 C ATOM 1216 CD1 ILE A 79 11.739 6.322 -1.845 1.00 0.00 C ATOM 0 H ILE A 79 13.407 2.614 -1.153 1.00 0.00 H new ATOM 0 HA ILE A 79 13.995 4.471 0.923 1.00 0.00 H new ATOM 0 HB ILE A 79 11.816 3.666 -0.935 1.00 0.00 H new ATOM 0 HG12 ILE A 79 12.947 6.388 -0.071 1.00 0.00 H new ATOM 0 HG13 ILE A 79 13.628 5.421 -1.364 1.00 0.00 H new ATOM 0 HG21 ILE A 79 10.137 5.177 -0.067 1.00 0.00 H new ATOM 0 HG22 ILE A 79 10.444 3.774 0.983 1.00 0.00 H new ATOM 0 HG23 ILE A 79 11.096 5.371 1.419 1.00 0.00 H new ATOM 0 HD11 ILE A 79 12.204 7.213 -2.266 1.00 0.00 H new ATOM 0 HD12 ILE A 79 11.510 5.619 -2.646 1.00 0.00 H new ATOM 0 HD13 ILE A 79 10.818 6.601 -1.333 1.00 0.00 H new ATOM 1228 N ALA A 80 12.521 1.745 1.898 1.00 0.00 N ATOM 1229 CA ALA A 80 12.024 1.033 3.067 1.00 0.00 C ATOM 1230 C ALA A 80 12.910 -0.100 3.595 1.00 0.00 C ATOM 1231 O ALA A 80 12.581 -0.686 4.630 1.00 0.00 O ATOM 1232 CB ALA A 80 10.618 0.586 2.710 1.00 0.00 C ATOM 0 H ALA A 80 12.639 1.153 1.076 1.00 0.00 H new ATOM 0 HA ALA A 80 12.032 1.707 3.924 1.00 0.00 H new ATOM 0 HB1 ALA A 80 10.185 0.042 3.550 1.00 0.00 H new ATOM 0 HB2 ALA A 80 10.004 1.459 2.488 1.00 0.00 H new ATOM 0 HB3 ALA A 80 10.654 -0.064 1.836 1.00 0.00 H new ATOM 1238 N ALA A 81 14.033 -0.383 2.935 1.00 0.00 N ATOM 1239 CA ALA A 81 14.988 -1.417 3.322 1.00 0.00 C ATOM 1240 C ALA A 81 15.510 -1.143 4.751 1.00 0.00 C ATOM 1241 O ALA A 81 15.455 0.006 5.199 1.00 0.00 O ATOM 1242 CB ALA A 81 16.129 -1.384 2.298 1.00 0.00 C ATOM 0 H ALA A 81 14.310 0.117 2.091 1.00 0.00 H new ATOM 0 HA ALA A 81 14.523 -2.403 3.331 1.00 0.00 H new ATOM 0 HB1 ALA A 81 16.868 -2.145 2.552 1.00 0.00 H new ATOM 0 HB2 ALA A 81 15.731 -1.582 1.303 1.00 0.00 H new ATOM 0 HB3 ALA A 81 16.601 -0.402 2.311 1.00 0.00 H new ATOM 1248 N PRO A 82 16.083 -2.123 5.479 1.00 0.00 N ATOM 1249 CA PRO A 82 16.322 -3.517 5.093 1.00 0.00 C ATOM 1250 C PRO A 82 15.074 -4.410 5.028 1.00 0.00 C ATOM 1251 O PRO A 82 15.220 -5.592 4.716 1.00 0.00 O ATOM 1252 CB PRO A 82 17.322 -4.039 6.137 1.00 0.00 C ATOM 1253 CG PRO A 82 16.982 -3.239 7.391 1.00 0.00 C ATOM 1254 CD PRO A 82 16.638 -1.872 6.805 1.00 0.00 C ATOM 0 HA PRO A 82 16.692 -3.551 4.068 1.00 0.00 H new ATOM 0 HB2 PRO A 82 17.207 -5.110 6.302 1.00 0.00 H new ATOM 0 HB3 PRO A 82 18.353 -3.873 5.823 1.00 0.00 H new ATOM 0 HG2 PRO A 82 16.144 -3.672 7.938 1.00 0.00 H new ATOM 0 HG3 PRO A 82 17.822 -3.187 8.084 1.00 0.00 H new ATOM 0 HD2 PRO A 82 15.919 -1.349 7.435 1.00 0.00 H new ATOM 0 HD3 PRO A 82 17.525 -1.241 6.742 1.00 0.00 H new ATOM 1262 N ALA A 83 13.876 -3.894 5.322 1.00 0.00 N ATOM 1263 CA ALA A 83 12.649 -4.677 5.286 1.00 0.00 C ATOM 1264 C ALA A 83 12.318 -5.186 3.877 1.00 0.00 C ATOM 1265 O ALA A 83 12.777 -4.635 2.874 1.00 0.00 O ATOM 1266 CB ALA A 83 11.497 -3.799 5.788 1.00 0.00 C ATOM 0 H ALA A 83 13.736 -2.920 5.591 1.00 0.00 H new ATOM 0 HA ALA A 83 12.789 -5.551 5.922 1.00 0.00 H new ATOM 0 HB1 ALA A 83 10.569 -4.370 5.768 1.00 0.00 H new ATOM 0 HB2 ALA A 83 11.703 -3.477 6.809 1.00 0.00 H new ATOM 0 HB3 ALA A 83 11.399 -2.925 5.145 1.00 0.00 H new ATOM 1272 N GLU A 84 11.491 -6.231 3.819 1.00 0.00 N ATOM 1273 CA GLU A 84 11.000 -6.855 2.598 1.00 0.00 C ATOM 1274 C GLU A 84 9.781 -6.047 2.163 1.00 0.00 C ATOM 1275 O GLU A 84 8.878 -5.814 2.974 1.00 0.00 O ATOM 1276 CB GLU A 84 10.609 -8.314 2.849 1.00 0.00 C ATOM 1277 CG GLU A 84 11.803 -9.250 2.660 1.00 0.00 C ATOM 1278 CD GLU A 84 12.272 -9.325 1.199 1.00 0.00 C ATOM 1279 OE1 GLU A 84 11.444 -9.537 0.285 1.00 0.00 O ATOM 1280 OE2 GLU A 84 13.481 -9.121 0.932 1.00 0.00 O ATOM 0 H GLU A 84 11.132 -6.682 4.660 1.00 0.00 H new ATOM 0 HA GLU A 84 11.771 -6.861 1.827 1.00 0.00 H new ATOM 0 HB2 GLU A 84 10.219 -8.419 3.861 1.00 0.00 H new ATOM 0 HB3 GLU A 84 9.808 -8.600 2.167 1.00 0.00 H new ATOM 0 HG2 GLU A 84 12.629 -8.910 3.285 1.00 0.00 H new ATOM 0 HG3 GLU A 84 11.534 -10.249 3.003 1.00 0.00 H new ATOM 1287 N ILE A 85 9.761 -5.615 0.899 1.00 0.00 N ATOM 1288 CA ILE A 85 8.701 -4.807 0.316 1.00 0.00 C ATOM 1289 C ILE A 85 7.914 -5.649 -0.671 1.00 0.00 C ATOM 1290 O ILE A 85 8.483 -6.409 -1.459 1.00 0.00 O ATOM 1291 CB ILE A 85 9.310 -3.509 -0.294 1.00 0.00 C ATOM 1292 CG1 ILE A 85 9.420 -2.376 0.737 1.00 0.00 C ATOM 1293 CG2 ILE A 85 8.530 -2.964 -1.507 1.00 0.00 C ATOM 1294 CD1 ILE A 85 9.953 -2.830 2.096 1.00 0.00 C ATOM 0 H ILE A 85 10.508 -5.828 0.238 1.00 0.00 H new ATOM 0 HA ILE A 85 7.990 -4.479 1.075 1.00 0.00 H new ATOM 0 HB ILE A 85 10.301 -3.819 -0.625 1.00 0.00 H new ATOM 0 HG12 ILE A 85 10.074 -1.599 0.341 1.00 0.00 H new ATOM 0 HG13 ILE A 85 8.437 -1.925 0.874 1.00 0.00 H new ATOM 0 HG21 ILE A 85 9.015 -2.060 -1.875 1.00 0.00 H new ATOM 0 HG22 ILE A 85 8.514 -3.715 -2.297 1.00 0.00 H new ATOM 0 HG23 ILE A 85 7.508 -2.731 -1.208 1.00 0.00 H new ATOM 0 HD11 ILE A 85 10.003 -1.976 2.771 1.00 0.00 H new ATOM 0 HD12 ILE A 85 9.287 -3.585 2.514 1.00 0.00 H new ATOM 0 HD13 ILE A 85 10.950 -3.254 1.973 1.00 0.00 H new ATOM 1306 N PHE A 86 6.595 -5.459 -0.648 1.00 0.00 N ATOM 1307 CA PHE A 86 5.677 -6.155 -1.525 1.00 0.00 C ATOM 1308 C PHE A 86 4.823 -5.180 -2.312 1.00 0.00 C ATOM 1309 O PHE A 86 4.768 -3.989 -2.006 1.00 0.00 O ATOM 1310 CB PHE A 86 4.822 -7.185 -0.773 1.00 0.00 C ATOM 1311 CG PHE A 86 5.565 -8.251 0.007 1.00 0.00 C ATOM 1312 CD1 PHE A 86 6.268 -7.938 1.188 1.00 0.00 C ATOM 1313 CD2 PHE A 86 5.535 -9.580 -0.447 1.00 0.00 C ATOM 1314 CE1 PHE A 86 6.965 -8.938 1.885 1.00 0.00 C ATOM 1315 CE2 PHE A 86 6.244 -10.577 0.240 1.00 0.00 C ATOM 1316 CZ PHE A 86 6.964 -10.258 1.405 1.00 0.00 C ATOM 0 H PHE A 86 6.137 -4.808 -0.010 1.00 0.00 H new ATOM 0 HA PHE A 86 6.279 -6.716 -2.239 1.00 0.00 H new ATOM 0 HB2 PHE A 86 4.173 -6.648 -0.081 1.00 0.00 H new ATOM 0 HB3 PHE A 86 4.175 -7.682 -1.496 1.00 0.00 H new ATOM 0 HD1 PHE A 86 6.271 -6.924 1.559 1.00 0.00 H new ATOM 0 HD2 PHE A 86 4.964 -9.835 -1.328 1.00 0.00 H new ATOM 0 HE1 PHE A 86 7.501 -8.692 2.790 1.00 0.00 H new ATOM 0 HE2 PHE A 86 6.237 -11.593 -0.127 1.00 0.00 H new ATOM 0 HZ PHE A 86 7.514 -11.025 1.929 1.00 0.00 H new ATOM 1326 N LEU A 87 4.129 -5.717 -3.312 1.00 0.00 N ATOM 1327 CA LEU A 87 3.263 -5.015 -4.233 1.00 0.00 C ATOM 1328 C LEU A 87 1.954 -5.784 -4.351 1.00 0.00 C ATOM 1329 O LEU A 87 1.948 -6.903 -4.869 1.00 0.00 O ATOM 1330 CB LEU A 87 3.960 -4.938 -5.604 1.00 0.00 C ATOM 1331 CG LEU A 87 5.323 -4.220 -5.605 1.00 0.00 C ATOM 1332 CD1 LEU A 87 5.964 -4.399 -6.979 1.00 0.00 C ATOM 1333 CD2 LEU A 87 5.187 -2.723 -5.314 1.00 0.00 C ATOM 0 H LEU A 87 4.164 -6.718 -3.506 1.00 0.00 H new ATOM 0 HA LEU A 87 3.057 -4.005 -3.878 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.100 -5.951 -5.980 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.297 -4.427 -6.303 1.00 0.00 H new ATOM 0 HG LEU A 87 5.937 -4.658 -4.818 1.00 0.00 H new ATOM 0 HD11 LEU A 87 6.931 -3.896 -6.998 1.00 0.00 H new ATOM 0 HD12 LEU A 87 6.103 -5.461 -7.180 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.316 -3.967 -7.742 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.173 -2.259 -5.325 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.560 -2.260 -6.076 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.731 -2.583 -4.334 1.00 0.00 H new ATOM 1345 N LEU A 88 0.861 -5.191 -3.864 1.00 0.00 N ATOM 1346 CA LEU A 88 -0.472 -5.790 -3.917 1.00 0.00 C ATOM 1347 C LEU A 88 -1.009 -5.664 -5.354 1.00 0.00 C ATOM 1348 O LEU A 88 -1.773 -4.752 -5.686 1.00 0.00 O ATOM 1349 CB LEU A 88 -1.389 -5.103 -2.890 1.00 0.00 C ATOM 1350 CG LEU A 88 -2.629 -5.918 -2.467 1.00 0.00 C ATOM 1351 CD1 LEU A 88 -2.236 -7.097 -1.580 1.00 0.00 C ATOM 1352 CD2 LEU A 88 -3.649 -5.066 -1.689 1.00 0.00 C ATOM 0 H LEU A 88 0.878 -4.274 -3.418 1.00 0.00 H new ATOM 0 HA LEU A 88 -0.434 -6.848 -3.658 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.803 -4.874 -2.000 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.723 -4.152 -3.304 1.00 0.00 H new ATOM 0 HG LEU A 88 -3.084 -6.271 -3.393 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -3.130 -7.653 -1.297 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -1.558 -7.753 -2.126 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.739 -6.728 -0.683 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -4.504 -5.684 -1.413 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -3.181 -4.671 -0.787 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -3.985 -4.240 -2.315 1.00 0.00 H new ATOM 1364 N GLU A 89 -0.585 -6.567 -6.231 1.00 0.00 N ATOM 1365 CA GLU A 89 -0.959 -6.632 -7.640 1.00 0.00 C ATOM 1366 C GLU A 89 -0.804 -5.254 -8.320 1.00 0.00 C ATOM 1367 O GLU A 89 0.271 -4.656 -8.228 1.00 0.00 O ATOM 1368 CB GLU A 89 -2.341 -7.297 -7.789 1.00 0.00 C ATOM 1369 CG GLU A 89 -2.452 -8.667 -7.091 1.00 0.00 C ATOM 1370 CD GLU A 89 -1.577 -9.714 -7.782 1.00 0.00 C ATOM 1371 OE1 GLU A 89 -2.097 -10.387 -8.699 1.00 0.00 O ATOM 1372 OE2 GLU A 89 -0.358 -9.792 -7.512 1.00 0.00 O ATOM 0 H GLU A 89 0.061 -7.311 -5.966 1.00 0.00 H new ATOM 0 HA GLU A 89 -0.270 -7.276 -8.186 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -3.100 -6.630 -7.382 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -2.561 -7.421 -8.849 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -2.153 -8.571 -6.047 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -3.491 -8.997 -7.096 1.00 0.00 H new ATOM 1379 N ASP A 90 -1.828 -4.711 -8.988 1.00 0.00 N ATOM 1380 CA ASP A 90 -1.758 -3.415 -9.688 1.00 0.00 C ATOM 1381 C ASP A 90 -1.723 -2.174 -8.803 1.00 0.00 C ATOM 1382 O ASP A 90 -1.537 -1.068 -9.313 1.00 0.00 O ATOM 1383 CB ASP A 90 -2.888 -3.303 -10.718 1.00 0.00 C ATOM 1384 CG ASP A 90 -2.392 -2.725 -12.033 1.00 0.00 C ATOM 1385 OD1 ASP A 90 -1.686 -3.470 -12.752 1.00 0.00 O ATOM 1386 OD2 ASP A 90 -2.760 -1.579 -12.371 1.00 0.00 O ATOM 0 H ASP A 90 -2.741 -5.161 -9.061 1.00 0.00 H new ATOM 0 HA ASP A 90 -0.784 -3.425 -10.178 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -3.320 -4.288 -10.893 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -3.683 -2.672 -10.320 1.00 0.00 H new ATOM 1391 N GLY A 91 -1.872 -2.334 -7.488 1.00 0.00 N ATOM 1392 CA GLY A 91 -1.872 -1.241 -6.535 1.00 0.00 C ATOM 1393 C GLY A 91 -3.091 -1.420 -5.649 1.00 0.00 C ATOM 1394 O GLY A 91 -3.021 -2.088 -4.616 1.00 0.00 O ATOM 0 H GLY A 91 -1.998 -3.248 -7.054 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -0.959 -1.249 -5.940 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -1.908 -0.281 -7.050 1.00 0.00 H new ATOM 1398 N ILE A 92 -4.212 -0.852 -6.080 1.00 0.00 N ATOM 1399 CA ILE A 92 -5.483 -0.937 -5.344 1.00 0.00 C ATOM 1400 C ILE A 92 -6.279 -2.144 -5.852 1.00 0.00 C ATOM 1401 O ILE A 92 -7.063 -2.757 -5.125 1.00 0.00 O ATOM 1402 CB ILE A 92 -6.239 0.420 -5.409 1.00 0.00 C ATOM 1403 CG1 ILE A 92 -6.791 0.857 -4.037 1.00 0.00 C ATOM 1404 CG2 ILE A 92 -7.323 0.505 -6.496 1.00 0.00 C ATOM 1405 CD1 ILE A 92 -7.618 -0.171 -3.254 1.00 0.00 C ATOM 0 H ILE A 92 -4.273 -0.319 -6.947 1.00 0.00 H new ATOM 0 HA ILE A 92 -5.311 -1.111 -4.282 1.00 0.00 H new ATOM 0 HB ILE A 92 -5.470 1.132 -5.708 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -5.949 1.158 -3.414 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -7.408 1.743 -4.188 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -7.794 1.487 -6.464 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -6.869 0.352 -7.475 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -8.075 -0.264 -6.321 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -7.943 0.266 -2.310 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -8.491 -0.458 -3.840 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -7.009 -1.052 -3.055 1.00 0.00 H new ATOM 1417 N ASP A 93 -6.009 -2.517 -7.106 1.00 0.00 N ATOM 1418 CA ASP A 93 -6.605 -3.629 -7.829 1.00 0.00 C ATOM 1419 C ASP A 93 -6.564 -4.900 -6.998 1.00 0.00 C ATOM 1420 O ASP A 93 -7.591 -5.544 -6.811 1.00 0.00 O ATOM 1421 CB ASP A 93 -5.803 -3.843 -9.113 1.00 0.00 C ATOM 1422 CG ASP A 93 -6.220 -5.094 -9.878 1.00 0.00 C ATOM 1423 OD1 ASP A 93 -7.438 -5.243 -10.107 1.00 0.00 O ATOM 1424 OD2 ASP A 93 -5.318 -5.832 -10.344 1.00 0.00 O ATOM 0 H ASP A 93 -5.325 -2.015 -7.673 1.00 0.00 H new ATOM 0 HA ASP A 93 -7.647 -3.399 -8.051 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -5.923 -2.973 -9.758 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -4.744 -3.912 -8.865 1.00 0.00 H new ATOM 1429 N GLY A 94 -5.375 -5.224 -6.476 1.00 0.00 N ATOM 1430 CA GLY A 94 -5.112 -6.394 -5.664 1.00 0.00 C ATOM 1431 C GLY A 94 -6.202 -6.629 -4.635 1.00 0.00 C ATOM 1432 O GLY A 94 -6.877 -7.647 -4.730 1.00 0.00 O ATOM 0 H GLY A 94 -4.545 -4.649 -6.620 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -5.026 -7.270 -6.307 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -4.154 -6.276 -5.157 1.00 0.00 H new ATOM 1436 N TRP A 95 -6.407 -5.694 -3.700 1.00 0.00 N ATOM 1437 CA TRP A 95 -7.425 -5.822 -2.660 1.00 0.00 C ATOM 1438 C TRP A 95 -8.782 -6.219 -3.264 1.00 0.00 C ATOM 1439 O TRP A 95 -9.417 -7.197 -2.862 1.00 0.00 O ATOM 1440 CB TRP A 95 -7.601 -4.518 -1.884 1.00 0.00 C ATOM 1441 CG TRP A 95 -8.624 -4.614 -0.783 1.00 0.00 C ATOM 1442 CD1 TRP A 95 -9.659 -3.765 -0.606 1.00 0.00 C ATOM 1443 CD2 TRP A 95 -8.723 -5.584 0.315 1.00 0.00 C ATOM 1444 NE1 TRP A 95 -10.359 -4.128 0.525 1.00 0.00 N ATOM 1445 CE2 TRP A 95 -9.763 -5.168 1.195 1.00 0.00 C ATOM 1446 CE3 TRP A 95 -7.989 -6.721 0.713 1.00 0.00 C ATOM 1447 CZ2 TRP A 95 -10.015 -5.791 2.430 1.00 0.00 C ATOM 1448 CZ3 TRP A 95 -8.209 -7.345 1.954 1.00 0.00 C ATOM 1449 CH2 TRP A 95 -9.214 -6.879 2.819 1.00 0.00 C ATOM 0 H TRP A 95 -5.870 -4.829 -3.646 1.00 0.00 H new ATOM 0 HA TRP A 95 -7.082 -6.601 -1.979 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -6.642 -4.226 -1.455 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -7.895 -3.728 -2.576 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -9.901 -2.932 -1.250 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -11.221 -3.676 0.829 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -7.239 -7.123 0.048 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -10.811 -5.439 3.070 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -7.601 -8.189 2.245 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -9.370 -7.354 3.776 1.00 0.00 H new ATOM 1460 N LYS A 96 -9.239 -5.442 -4.254 1.00 0.00 N ATOM 1461 CA LYS A 96 -10.527 -5.674 -4.902 1.00 0.00 C ATOM 1462 C LYS A 96 -10.622 -6.973 -5.700 1.00 0.00 C ATOM 1463 O LYS A 96 -11.741 -7.458 -5.876 1.00 0.00 O ATOM 1464 CB LYS A 96 -10.907 -4.457 -5.745 1.00 0.00 C ATOM 1465 CG LYS A 96 -12.423 -4.415 -5.989 1.00 0.00 C ATOM 1466 CD LYS A 96 -12.828 -3.068 -6.582 1.00 0.00 C ATOM 1467 CE LYS A 96 -14.300 -3.105 -6.987 1.00 0.00 C ATOM 1468 NZ LYS A 96 -14.830 -1.744 -7.191 1.00 0.00 N ATOM 0 H LYS A 96 -8.727 -4.641 -4.623 1.00 0.00 H new ATOM 0 HA LYS A 96 -11.253 -5.807 -4.100 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -10.590 -3.545 -5.239 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -10.381 -4.491 -6.699 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -12.712 -5.219 -6.666 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -12.954 -4.581 -5.052 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -12.661 -2.274 -5.854 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -12.208 -2.840 -7.449 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -14.414 -3.684 -7.904 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -14.880 -3.612 -6.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -15.832 -1.799 -7.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -14.742 -1.201 -6.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -14.290 -1.271 -7.944 1.00 0.00 H new ATOM 1482 N LYS A 97 -9.528 -7.599 -6.145 1.00 0.00 N ATOM 1483 CA LYS A 97 -9.649 -8.861 -6.889 1.00 0.00 C ATOM 1484 C LYS A 97 -10.247 -9.959 -6.010 1.00 0.00 C ATOM 1485 O LYS A 97 -10.800 -10.925 -6.534 1.00 0.00 O ATOM 1486 CB LYS A 97 -8.318 -9.304 -7.490 1.00 0.00 C ATOM 1487 CG LYS A 97 -7.914 -8.421 -8.676 1.00 0.00 C ATOM 1488 CD LYS A 97 -6.903 -9.129 -9.574 1.00 0.00 C ATOM 1489 CE LYS A 97 -5.622 -9.463 -8.801 1.00 0.00 C ATOM 1490 NZ LYS A 97 -4.620 -10.112 -9.664 1.00 0.00 N ATOM 0 H LYS A 97 -8.573 -7.266 -6.010 1.00 0.00 H new ATOM 0 HA LYS A 97 -10.330 -8.679 -7.720 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -7.542 -9.265 -6.726 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -8.393 -10.341 -7.816 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -8.799 -8.160 -9.256 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -7.487 -7.488 -8.309 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -7.342 -10.044 -9.971 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -6.662 -8.495 -10.427 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -5.203 -8.550 -8.379 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -5.862 -10.119 -7.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -3.794 -10.384 -9.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -5.035 -10.960 -10.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -4.322 -9.450 -10.409 1.00 0.00 H new ATOM 1504 N ALA A 98 -10.126 -9.839 -4.686 1.00 0.00 N ATOM 1505 CA ALA A 98 -10.694 -10.788 -3.736 1.00 0.00 C ATOM 1506 C ALA A 98 -12.189 -10.488 -3.518 1.00 0.00 C ATOM 1507 O ALA A 98 -12.893 -11.265 -2.867 1.00 0.00 O ATOM 1508 CB ALA A 98 -9.959 -10.626 -2.406 1.00 0.00 C ATOM 0 H ALA A 98 -9.624 -9.070 -4.242 1.00 0.00 H new ATOM 0 HA ALA A 98 -10.587 -11.803 -4.120 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -10.367 -11.327 -1.677 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -8.898 -10.829 -2.550 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -10.088 -9.607 -2.041 1.00 0.00 H new ATOM 1514 N GLY A 99 -12.664 -9.351 -4.039 1.00 0.00 N ATOM 1515 CA GLY A 99 -14.011 -8.803 -3.962 1.00 0.00 C ATOM 1516 C GLY A 99 -14.187 -7.964 -2.699 1.00 0.00 C ATOM 1517 O GLY A 99 -15.264 -7.411 -2.475 1.00 0.00 O ATOM 0 H GLY A 99 -12.051 -8.737 -4.575 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -14.209 -8.190 -4.841 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -14.739 -9.614 -3.969 1.00 0.00 H new ATOM 1521 N LEU A 100 -13.137 -7.864 -1.881 1.00 0.00 N ATOM 1522 CA LEU A 100 -13.115 -7.149 -0.626 1.00 0.00 C ATOM 1523 C LEU A 100 -13.239 -5.646 -0.898 1.00 0.00 C ATOM 1524 O LEU A 100 -12.503 -5.113 -1.736 1.00 0.00 O ATOM 1525 CB LEU A 100 -11.841 -7.531 0.143 1.00 0.00 C ATOM 1526 CG LEU A 100 -11.727 -9.038 0.484 1.00 0.00 C ATOM 1527 CD1 LEU A 100 -10.299 -9.436 0.863 1.00 0.00 C ATOM 1528 CD2 LEU A 100 -12.650 -9.435 1.643 1.00 0.00 C ATOM 0 H LEU A 100 -12.242 -8.304 -2.096 1.00 0.00 H new ATOM 0 HA LEU A 100 -13.961 -7.423 0.004 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -10.973 -7.238 -0.448 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -11.805 -6.958 1.069 1.00 0.00 H new ATOM 0 HG LEU A 100 -12.026 -9.564 -0.423 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -10.267 -10.501 1.094 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -9.629 -9.225 0.029 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -9.982 -8.866 1.736 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -12.538 -10.500 1.849 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -12.384 -8.864 2.532 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -13.685 -9.224 1.373 1.00 0.00 H new ATOM 1540 N PRO A 101 -14.186 -4.942 -0.257 1.00 0.00 N ATOM 1541 CA PRO A 101 -14.377 -3.513 -0.445 1.00 0.00 C ATOM 1542 C PRO A 101 -13.365 -2.740 0.407 1.00 0.00 C ATOM 1543 O PRO A 101 -12.873 -3.230 1.425 1.00 0.00 O ATOM 1544 CB PRO A 101 -15.814 -3.255 0.011 1.00 0.00 C ATOM 1545 CG PRO A 101 -16.025 -4.286 1.121 1.00 0.00 C ATOM 1546 CD PRO A 101 -15.114 -5.453 0.738 1.00 0.00 C ATOM 0 HA PRO A 101 -14.223 -3.189 -1.474 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -15.942 -2.237 0.379 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -16.525 -3.391 -0.804 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -15.759 -3.879 2.097 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -17.068 -4.599 1.179 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -14.579 -5.830 1.610 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -15.695 -6.283 0.337 1.00 0.00 H new ATOM 1554 N VAL A 102 -13.026 -1.526 -0.002 1.00 0.00 N ATOM 1555 CA VAL A 102 -12.115 -0.599 0.634 1.00 0.00 C ATOM 1556 C VAL A 102 -12.869 0.094 1.781 1.00 0.00 C ATOM 1557 O VAL A 102 -14.098 -0.031 1.862 1.00 0.00 O ATOM 1558 CB VAL A 102 -11.689 0.407 -0.460 1.00 0.00 C ATOM 1559 CG1 VAL A 102 -10.491 -0.106 -1.256 1.00 0.00 C ATOM 1560 CG2 VAL A 102 -12.815 0.704 -1.486 1.00 0.00 C ATOM 0 H VAL A 102 -13.417 -1.136 -0.860 1.00 0.00 H new ATOM 0 HA VAL A 102 -11.232 -1.081 1.054 1.00 0.00 H new ATOM 0 HB VAL A 102 -11.441 1.318 0.084 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -10.219 0.626 -2.016 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -9.647 -0.262 -0.584 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -10.751 -1.049 -1.737 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -12.453 1.417 -2.227 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -13.107 -0.221 -1.984 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -13.677 1.125 -0.968 1.00 0.00 H new ATOM 1570 N ALA A 103 -12.191 0.827 2.673 1.00 0.00 N ATOM 1571 CA ALA A 103 -12.872 1.522 3.768 1.00 0.00 C ATOM 1572 C ALA A 103 -13.478 2.824 3.229 1.00 0.00 C ATOM 1573 O ALA A 103 -12.968 3.920 3.468 1.00 0.00 O ATOM 1574 CB ALA A 103 -11.934 1.775 4.950 1.00 0.00 C ATOM 0 H ALA A 103 -11.179 0.953 2.657 1.00 0.00 H new ATOM 0 HA ALA A 103 -13.673 0.889 4.151 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -12.477 2.292 5.741 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -11.561 0.823 5.328 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -11.095 2.390 4.624 1.00 0.00 H new ATOM 1580 N VAL A 104 -14.534 2.712 2.430 1.00 0.00 N ATOM 1581 CA VAL A 104 -15.221 3.860 1.852 1.00 0.00 C ATOM 1582 C VAL A 104 -16.151 4.467 2.900 1.00 0.00 C ATOM 1583 O VAL A 104 -16.512 3.805 3.879 1.00 0.00 O ATOM 1584 CB VAL A 104 -16.026 3.437 0.599 1.00 0.00 C ATOM 1585 CG1 VAL A 104 -15.088 3.321 -0.604 1.00 0.00 C ATOM 1586 CG2 VAL A 104 -16.816 2.126 0.769 1.00 0.00 C ATOM 0 H VAL A 104 -14.940 1.815 2.164 1.00 0.00 H new ATOM 0 HA VAL A 104 -14.485 4.603 1.546 1.00 0.00 H new ATOM 0 HB VAL A 104 -16.768 4.219 0.439 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -15.659 3.023 -1.483 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -14.613 4.284 -0.789 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -14.323 2.573 -0.398 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -17.351 1.902 -0.154 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -16.127 1.313 0.995 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -17.530 2.235 1.586 1.00 0.00 H new ATOM 1596 N ASN A 105 -16.516 5.736 2.723 1.00 0.00 N ATOM 1597 CA ASN A 105 -17.422 6.439 3.620 1.00 0.00 C ATOM 1598 C ASN A 105 -18.791 6.405 2.949 1.00 0.00 C ATOM 1599 O ASN A 105 -18.954 7.060 1.918 1.00 0.00 O ATOM 1600 CB ASN A 105 -16.973 7.884 3.862 1.00 0.00 C ATOM 1601 CG ASN A 105 -18.021 8.605 4.698 1.00 0.00 C ATOM 1602 OD1 ASN A 105 -18.561 8.039 5.644 1.00 0.00 O ATOM 1603 ND2 ASN A 105 -18.360 9.841 4.378 1.00 0.00 N ATOM 0 H ASN A 105 -16.186 6.307 1.945 1.00 0.00 H new ATOM 0 HA ASN A 105 -17.441 5.961 4.600 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -16.011 7.897 4.375 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -16.834 8.398 2.911 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -19.074 10.330 4.918 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -17.908 10.306 3.591 1.00 0.00 H new ATOM 1610 N LYS A 106 -19.776 5.715 3.538 1.00 0.00 N ATOM 1611 CA LYS A 106 -21.138 5.573 2.996 1.00 0.00 C ATOM 1612 C LYS A 106 -21.095 4.766 1.676 1.00 0.00 C ATOM 1613 O LYS A 106 -20.023 4.536 1.111 1.00 0.00 O ATOM 1614 CB LYS A 106 -21.837 6.963 2.974 1.00 0.00 C ATOM 1615 CG LYS A 106 -22.784 7.265 1.803 1.00 0.00 C ATOM 1616 CD LYS A 106 -23.248 8.728 1.846 1.00 0.00 C ATOM 1617 CE LYS A 106 -24.213 9.040 0.702 1.00 0.00 C ATOM 1618 NZ LYS A 106 -23.522 9.337 -0.566 1.00 0.00 N ATOM 0 H LYS A 106 -19.648 5.228 4.425 1.00 0.00 H new ATOM 0 HA LYS A 106 -21.784 4.972 3.636 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -22.403 7.069 3.900 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -21.062 7.729 2.985 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -22.278 7.066 0.858 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -23.648 6.602 1.847 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -23.735 8.929 2.800 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -22.383 9.388 1.785 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -24.882 8.192 0.556 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -24.834 9.891 0.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -24.225 9.541 -1.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -22.904 10.163 -0.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -22.949 8.517 -0.850 1.00 0.00 H new ATOM 1632 N SER A 107 -22.248 4.299 1.193 1.00 0.00 N ATOM 1633 CA SER A 107 -22.362 3.516 -0.032 1.00 0.00 C ATOM 1634 C SER A 107 -23.077 4.293 -1.140 1.00 0.00 C ATOM 1635 O SER A 107 -23.725 5.312 -0.875 1.00 0.00 O ATOM 1636 CB SER A 107 -23.044 2.181 0.293 1.00 0.00 C ATOM 1637 OG SER A 107 -24.250 2.330 1.021 1.00 0.00 O ATOM 0 H SER A 107 -23.144 4.459 1.654 1.00 0.00 H new ATOM 0 HA SER A 107 -21.366 3.308 -0.424 1.00 0.00 H new ATOM 0 HB2 SER A 107 -23.252 1.652 -0.637 1.00 0.00 H new ATOM 0 HB3 SER A 107 -22.356 1.560 0.866 1.00 0.00 H new ATOM 0 HG SER A 107 -24.638 1.447 1.196 1.00 0.00 H new ATOM 1643 N GLN A 108 -23.014 3.739 -2.358 1.00 0.00 N ATOM 1644 CA GLN A 108 -23.587 4.266 -3.596 1.00 0.00 C ATOM 1645 C GLN A 108 -23.278 5.755 -3.717 1.00 0.00 C ATOM 1646 O GLN A 108 -22.068 6.073 -3.638 1.00 0.00 O ATOM 1647 CB GLN A 108 -25.076 3.876 -3.737 1.00 0.00 C ATOM 1648 CG GLN A 108 -25.341 2.385 -4.020 1.00 0.00 C ATOM 1649 CD GLN A 108 -25.091 1.997 -5.483 1.00 0.00 C ATOM 1650 OE1 GLN A 108 -24.123 2.422 -6.106 1.00 0.00 O ATOM 1651 NE2 GLN A 108 -25.900 1.148 -6.093 1.00 0.00 N ATOM 0 H GLN A 108 -22.530 2.854 -2.511 1.00 0.00 H new ATOM 0 HA GLN A 108 -23.115 3.801 -4.461 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -25.596 4.153 -2.820 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -25.514 4.465 -4.542 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -24.703 1.780 -3.376 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -26.373 2.149 -3.759 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -26.713 0.776 -5.602 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -25.711 0.864 -7.054 1.00 0.00 H new TER 1660 GLN A 108