USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 687 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 58 ASN : amide:sc= -0.805 K(o=-0.42,f=-1.5!) USER MOD Set 1.2: A 77 CYS SG : rot 60:sc= 0.387 USER MOD Set 2.1: A 34 GLN : amide:sc= -1.01 K(o=-0.67,f=-4.2) USER MOD Set 2.2: A 67 HIS : no HE2:sc= 0.348 K(o=-0.67,f=-4.5!) USER MOD Set 3.1: A 30 SER OG : rot -46:sc= 2.09 USER MOD Set 3.2: A 32 THR OG1 : rot 20:sc= 1.14 USER MOD Single : A 1 GLY N :NH3+ -120:sc= 0.112 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.204 X(o=-0.2,f=0) USER MOD Single : A 12 MET CE :methyl 180:sc= -1.58 (180deg=-1.58) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 137:sc= 0.836 (180deg=-0.202) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 43 GLN : amide:sc= -0.227 X(o=-0.23,f=0) USER MOD Single : A 45 CYS SG : rot -55:sc= -1.96 USER MOD Single : A 49 CYS SG : rot 49:sc= 0.197 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=-0.045) USER MOD Single : A 60 GLN :FLIP amide:sc= 0 F(o=-0.53,f=0) USER MOD Single : A 61 ASN : amide:sc= -0.114 X(o=-0.11,f=0) USER MOD Single : A 63 GLN :FLIP amide:sc= -0.166 F(o=-1.3,f=-0.17) USER MOD Single : A 64 ASN : amide:sc=-0.00101 X(o=-0.001,f=-0.001) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.122 USER MOD Single : A 75 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.241) USER MOD Single : A 81 SER OG : rot -170:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 HIS : no HD1:sc= -0.0867 X(o=-0.087,f=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 54:sc= 0.0526 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -21.269 10.997 -2.755 1.00 0.00 N ATOM 2 CA GLY A 1 -19.930 11.570 -2.972 1.00 0.00 C ATOM 3 C GLY A 1 -19.967 12.543 -4.140 1.00 0.00 C ATOM 4 O GLY A 1 -20.874 12.465 -4.963 1.00 0.00 O ATOM 0 H1 GLY A 1 -21.596 11.231 -1.796 1.00 0.00 H new ATOM 0 H2 GLY A 1 -21.932 11.391 -3.452 1.00 0.00 H new ATOM 0 H3 GLY A 1 -21.226 9.964 -2.863 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -19.594 12.083 -2.071 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -19.212 10.774 -3.173 1.00 0.00 H new ATOM 8 N SER A 2 -19.008 13.463 -4.243 1.00 0.00 N ATOM 9 CA SER A 2 -18.921 14.403 -5.359 1.00 0.00 C ATOM 10 C SER A 2 -17.556 14.245 -6.012 1.00 0.00 C ATOM 11 O SER A 2 -17.466 13.958 -7.204 1.00 0.00 O ATOM 12 CB SER A 2 -19.160 15.831 -4.845 1.00 0.00 C ATOM 13 OG SER A 2 -19.440 16.740 -5.891 1.00 0.00 O ATOM 0 H SER A 2 -18.267 13.577 -3.552 1.00 0.00 H new ATOM 0 HA SER A 2 -19.685 14.198 -6.109 1.00 0.00 H new ATOM 0 HB2 SER A 2 -19.991 15.826 -4.139 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.280 16.170 -4.299 1.00 0.00 H new ATOM 0 HG SER A 2 -19.587 17.634 -5.517 1.00 0.00 H new ATOM 19 N SER A 3 -16.500 14.407 -5.213 1.00 0.00 N ATOM 20 CA SER A 3 -15.143 14.553 -5.693 1.00 0.00 C ATOM 21 C SER A 3 -15.074 15.519 -6.883 1.00 0.00 C ATOM 22 O SER A 3 -15.695 16.583 -6.827 1.00 0.00 O ATOM 23 CB SER A 3 -14.517 13.170 -5.895 1.00 0.00 C ATOM 24 OG SER A 3 -14.447 12.492 -4.653 1.00 0.00 O ATOM 0 H SER A 3 -16.576 14.440 -4.196 1.00 0.00 H new ATOM 0 HA SER A 3 -14.515 15.039 -4.946 1.00 0.00 H new ATOM 0 HB2 SER A 3 -15.110 12.592 -6.603 1.00 0.00 H new ATOM 0 HB3 SER A 3 -13.519 13.271 -6.322 1.00 0.00 H new ATOM 0 HG SER A 3 -14.048 11.607 -4.786 1.00 0.00 H new ATOM 30 N GLY A 4 -14.236 15.236 -7.879 1.00 0.00 N ATOM 31 CA GLY A 4 -13.738 16.228 -8.818 1.00 0.00 C ATOM 32 C GLY A 4 -12.234 16.362 -8.659 1.00 0.00 C ATOM 33 O GLY A 4 -11.694 17.457 -8.479 1.00 0.00 O ATOM 0 H GLY A 4 -13.881 14.296 -8.055 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.982 15.934 -9.839 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.221 17.189 -8.639 1.00 0.00 H new ATOM 37 N SER A 5 -11.542 15.231 -8.711 1.00 0.00 N ATOM 38 CA SER A 5 -10.133 15.196 -9.027 1.00 0.00 C ATOM 39 C SER A 5 -9.884 13.983 -9.914 1.00 0.00 C ATOM 40 O SER A 5 -10.746 13.104 -10.060 1.00 0.00 O ATOM 41 CB SER A 5 -9.294 15.222 -7.740 1.00 0.00 C ATOM 42 OG SER A 5 -9.293 13.971 -7.076 1.00 0.00 O ATOM 0 H SER A 5 -11.950 14.313 -8.534 1.00 0.00 H new ATOM 0 HA SER A 5 -9.821 16.081 -9.582 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.269 15.504 -7.982 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.685 15.987 -7.069 1.00 0.00 H new ATOM 0 HG SER A 5 -8.747 14.032 -6.265 1.00 0.00 H new ATOM 48 N SER A 6 -8.687 13.913 -10.473 1.00 0.00 N ATOM 49 CA SER A 6 -8.230 12.775 -11.238 1.00 0.00 C ATOM 50 C SER A 6 -6.854 12.404 -10.699 1.00 0.00 C ATOM 51 O SER A 6 -6.223 13.183 -9.977 1.00 0.00 O ATOM 52 CB SER A 6 -8.222 13.153 -12.720 1.00 0.00 C ATOM 53 OG SER A 6 -9.475 13.686 -13.114 1.00 0.00 O ATOM 0 H SER A 6 -7.997 14.661 -10.404 1.00 0.00 H new ATOM 0 HA SER A 6 -8.881 11.906 -11.144 1.00 0.00 H new ATOM 0 HB2 SER A 6 -7.436 13.884 -12.908 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.991 12.274 -13.322 1.00 0.00 H new ATOM 0 HG SER A 6 -9.446 13.922 -14.065 1.00 0.00 H new ATOM 59 N GLY A 7 -6.374 11.221 -11.035 1.00 0.00 N ATOM 60 CA GLY A 7 -5.192 10.615 -10.463 1.00 0.00 C ATOM 61 C GLY A 7 -5.380 9.128 -10.681 1.00 0.00 C ATOM 62 O GLY A 7 -6.447 8.593 -10.371 1.00 0.00 O ATOM 0 H GLY A 7 -6.817 10.635 -11.743 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.286 10.976 -10.951 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.099 10.851 -9.403 1.00 0.00 H new ATOM 66 N GLN A 8 -4.405 8.474 -11.297 1.00 0.00 N ATOM 67 CA GLN A 8 -4.587 7.127 -11.802 1.00 0.00 C ATOM 68 C GLN A 8 -3.260 6.379 -11.788 1.00 0.00 C ATOM 69 O GLN A 8 -2.184 6.989 -11.818 1.00 0.00 O ATOM 70 CB GLN A 8 -5.247 7.201 -13.192 1.00 0.00 C ATOM 71 CG GLN A 8 -4.480 7.990 -14.269 1.00 0.00 C ATOM 72 CD GLN A 8 -3.710 7.046 -15.182 1.00 0.00 C ATOM 73 OE1 GLN A 8 -4.220 6.625 -16.220 1.00 0.00 O ATOM 74 NE2 GLN A 8 -2.518 6.630 -14.797 1.00 0.00 N ATOM 0 H GLN A 8 -3.475 8.861 -11.458 1.00 0.00 H new ATOM 0 HA GLN A 8 -5.256 6.554 -11.160 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -5.397 6.184 -13.554 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -6.235 7.648 -13.079 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -5.179 8.584 -14.858 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -3.790 8.687 -13.794 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -2.107 6.987 -13.934 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -2.008 5.951 -15.362 1.00 0.00 H new ATOM 83 N ALA A 9 -3.337 5.053 -11.764 1.00 0.00 N ATOM 84 CA ALA A 9 -2.211 4.136 -11.702 1.00 0.00 C ATOM 85 C ALA A 9 -2.592 2.840 -12.427 1.00 0.00 C ATOM 86 O ALA A 9 -3.664 2.756 -13.032 1.00 0.00 O ATOM 87 CB ALA A 9 -1.875 3.903 -10.226 1.00 0.00 C ATOM 0 H ALA A 9 -4.233 4.567 -11.789 1.00 0.00 H new ATOM 0 HA ALA A 9 -1.327 4.539 -12.195 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -1.032 3.217 -10.149 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -1.615 4.852 -9.758 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -2.739 3.474 -9.719 1.00 0.00 H new ATOM 93 N GLU A 10 -1.708 1.847 -12.407 1.00 0.00 N ATOM 94 CA GLU A 10 -1.881 0.561 -13.069 1.00 0.00 C ATOM 95 C GLU A 10 -1.347 -0.496 -12.101 1.00 0.00 C ATOM 96 O GLU A 10 -0.143 -0.543 -11.835 1.00 0.00 O ATOM 97 CB GLU A 10 -1.153 0.604 -14.430 1.00 0.00 C ATOM 98 CG GLU A 10 -1.964 -0.030 -15.570 1.00 0.00 C ATOM 99 CD GLU A 10 -1.830 0.807 -16.843 1.00 0.00 C ATOM 100 OE1 GLU A 10 -0.888 0.582 -17.632 1.00 0.00 O ATOM 101 OE2 GLU A 10 -2.620 1.763 -17.036 1.00 0.00 O ATOM 0 H GLU A 10 -0.820 1.920 -11.911 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.919 0.318 -13.297 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -0.931 1.641 -14.683 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.198 0.086 -14.340 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.613 -1.045 -15.755 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -3.013 -0.103 -15.283 1.00 0.00 H new ATOM 108 N LEU A 11 -2.239 -1.252 -11.458 1.00 0.00 N ATOM 109 CA LEU A 11 -1.932 -1.991 -10.233 1.00 0.00 C ATOM 110 C LEU A 11 -1.696 -3.464 -10.569 1.00 0.00 C ATOM 111 O LEU A 11 -2.284 -3.983 -11.523 1.00 0.00 O ATOM 112 CB LEU A 11 -3.109 -1.863 -9.249 1.00 0.00 C ATOM 113 CG LEU A 11 -3.332 -0.502 -8.546 1.00 0.00 C ATOM 114 CD1 LEU A 11 -2.392 -0.291 -7.351 1.00 0.00 C ATOM 115 CD2 LEU A 11 -3.231 0.712 -9.469 1.00 0.00 C ATOM 0 H LEU A 11 -3.201 -1.369 -11.775 1.00 0.00 H new ATOM 0 HA LEU A 11 -1.033 -1.580 -9.775 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -4.023 -2.112 -9.789 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.980 -2.620 -8.475 1.00 0.00 H new ATOM 0 HG LEU A 11 -4.362 -0.568 -8.196 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.593 0.679 -6.897 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.557 -1.078 -6.615 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -1.357 -0.325 -7.692 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.401 1.622 -8.893 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -2.238 0.746 -9.918 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.982 0.635 -10.255 1.00 0.00 H new ATOM 127 N MET A 12 -0.909 -4.176 -9.756 1.00 0.00 N ATOM 128 CA MET A 12 -0.459 -5.507 -10.150 1.00 0.00 C ATOM 129 C MET A 12 -1.468 -6.546 -9.692 1.00 0.00 C ATOM 130 O MET A 12 -1.599 -6.802 -8.488 1.00 0.00 O ATOM 131 CB MET A 12 0.916 -5.849 -9.554 1.00 0.00 C ATOM 132 CG MET A 12 1.992 -4.859 -9.992 1.00 0.00 C ATOM 133 SD MET A 12 3.715 -5.414 -9.838 1.00 0.00 S ATOM 134 CE MET A 12 3.755 -6.005 -8.134 1.00 0.00 C ATOM 0 H MET A 12 -0.579 -3.860 -8.844 1.00 0.00 H new ATOM 0 HA MET A 12 -0.371 -5.513 -11.236 1.00 0.00 H new ATOM 0 HB2 MET A 12 0.849 -5.853 -8.466 1.00 0.00 H new ATOM 0 HB3 MET A 12 1.203 -6.855 -9.859 1.00 0.00 H new ATOM 0 HG2 MET A 12 1.810 -4.596 -11.034 1.00 0.00 H new ATOM 0 HG3 MET A 12 1.874 -3.946 -9.408 1.00 0.00 H new ATOM 0 HE1 MET A 12 4.753 -6.376 -7.901 1.00 0.00 H new ATOM 0 HE2 MET A 12 3.505 -5.186 -7.459 1.00 0.00 H new ATOM 0 HE3 MET A 12 3.031 -6.811 -8.011 1.00 0.00 H new ATOM 144 N THR A 13 -2.127 -7.207 -10.645 1.00 0.00 N ATOM 145 CA THR A 13 -2.766 -8.479 -10.355 1.00 0.00 C ATOM 146 C THR A 13 -1.657 -9.536 -10.338 1.00 0.00 C ATOM 147 O THR A 13 -0.772 -9.547 -11.199 1.00 0.00 O ATOM 148 CB THR A 13 -3.895 -8.814 -11.344 1.00 0.00 C ATOM 149 OG1 THR A 13 -4.841 -7.768 -11.448 1.00 0.00 O ATOM 150 CG2 THR A 13 -4.681 -10.061 -10.929 1.00 0.00 C ATOM 0 H THR A 13 -2.228 -6.885 -11.607 1.00 0.00 H new ATOM 0 HA THR A 13 -3.266 -8.442 -9.387 1.00 0.00 H new ATOM 0 HB THR A 13 -3.388 -8.976 -12.295 1.00 0.00 H new ATOM 0 HG1 THR A 13 -5.539 -8.021 -12.087 1.00 0.00 H new ATOM 0 HG21 THR A 13 -5.467 -10.256 -11.659 1.00 0.00 H new ATOM 0 HG22 THR A 13 -4.008 -10.917 -10.884 1.00 0.00 H new ATOM 0 HG23 THR A 13 -5.129 -9.899 -9.949 1.00 0.00 H new ATOM 158 N LEU A 14 -1.713 -10.435 -9.364 1.00 0.00 N ATOM 159 CA LEU A 14 -0.889 -11.625 -9.217 1.00 0.00 C ATOM 160 C LEU A 14 -1.882 -12.755 -8.933 1.00 0.00 C ATOM 161 O LEU A 14 -3.017 -12.490 -8.511 1.00 0.00 O ATOM 162 CB LEU A 14 0.111 -11.472 -8.050 1.00 0.00 C ATOM 163 CG LEU A 14 1.020 -10.220 -8.061 1.00 0.00 C ATOM 164 CD1 LEU A 14 1.686 -10.052 -6.690 1.00 0.00 C ATOM 165 CD2 LEU A 14 2.112 -10.286 -9.128 1.00 0.00 C ATOM 0 H LEU A 14 -2.384 -10.344 -8.602 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.288 -11.814 -10.106 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.454 -11.472 -7.118 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.751 -12.354 -8.035 1.00 0.00 H new ATOM 0 HG LEU A 14 0.378 -9.370 -8.293 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.325 -9.169 -6.702 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.919 -9.934 -5.925 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.288 -10.933 -6.468 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.717 -9.380 -9.086 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.746 -11.154 -8.947 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.653 -10.371 -10.113 1.00 0.00 H new ATOM 177 N THR A 15 -1.480 -14.005 -9.113 1.00 0.00 N ATOM 178 CA THR A 15 -2.363 -15.144 -8.904 1.00 0.00 C ATOM 179 C THR A 15 -1.762 -16.030 -7.810 1.00 0.00 C ATOM 180 O THR A 15 -0.542 -16.124 -7.680 1.00 0.00 O ATOM 181 CB THR A 15 -2.594 -15.865 -10.244 1.00 0.00 C ATOM 182 OG1 THR A 15 -2.751 -14.948 -11.331 1.00 0.00 O ATOM 183 CG2 THR A 15 -3.862 -16.718 -10.184 1.00 0.00 C ATOM 0 H THR A 15 -0.537 -14.258 -9.407 1.00 0.00 H new ATOM 0 HA THR A 15 -3.349 -14.836 -8.556 1.00 0.00 H new ATOM 0 HB THR A 15 -1.711 -16.482 -10.412 1.00 0.00 H new ATOM 0 HG1 THR A 15 -2.894 -15.447 -12.162 1.00 0.00 H new ATOM 0 HG21 THR A 15 -4.008 -17.220 -11.140 1.00 0.00 H new ATOM 0 HG22 THR A 15 -3.762 -17.463 -9.395 1.00 0.00 H new ATOM 0 HG23 THR A 15 -4.720 -16.080 -9.974 1.00 0.00 H new ATOM 191 N ILE A 16 -2.619 -16.638 -6.992 1.00 0.00 N ATOM 192 CA ILE A 16 -2.253 -17.450 -5.840 1.00 0.00 C ATOM 193 C ILE A 16 -3.157 -18.684 -5.782 1.00 0.00 C ATOM 194 O ILE A 16 -4.218 -18.685 -6.407 1.00 0.00 O ATOM 195 CB ILE A 16 -2.335 -16.598 -4.554 1.00 0.00 C ATOM 196 CG1 ILE A 16 -3.645 -15.815 -4.343 1.00 0.00 C ATOM 197 CG2 ILE A 16 -1.185 -15.587 -4.475 1.00 0.00 C ATOM 198 CD1 ILE A 16 -3.669 -15.220 -2.927 1.00 0.00 C ATOM 0 H ILE A 16 -3.629 -16.574 -7.122 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.224 -17.798 -5.931 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.277 -17.350 -3.767 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -3.728 -15.020 -5.084 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -4.501 -16.474 -4.486 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.275 -15.005 -3.558 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -0.233 -16.118 -4.476 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.229 -14.918 -5.335 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.597 -14.667 -2.781 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.606 -16.024 -2.193 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.821 -14.547 -2.801 1.00 0.00 H new ATOM 210 N VAL A 17 -2.767 -19.716 -5.024 1.00 0.00 N ATOM 211 CA VAL A 17 -3.489 -20.989 -4.961 1.00 0.00 C ATOM 212 C VAL A 17 -3.666 -21.380 -3.495 1.00 0.00 C ATOM 213 O VAL A 17 -2.763 -21.226 -2.664 1.00 0.00 O ATOM 214 CB VAL A 17 -2.767 -22.076 -5.793 1.00 0.00 C ATOM 215 CG1 VAL A 17 -3.492 -23.434 -5.742 1.00 0.00 C ATOM 216 CG2 VAL A 17 -2.667 -21.650 -7.266 1.00 0.00 C ATOM 0 H VAL A 17 -1.936 -19.689 -4.434 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.479 -20.884 -5.406 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.776 -22.187 -5.352 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.945 -24.161 -6.342 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.544 -23.780 -4.710 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.501 -23.323 -6.138 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.156 -22.427 -7.835 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -3.668 -21.502 -7.671 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.105 -20.719 -7.338 1.00 0.00 H new ATOM 226 N LYS A 18 -4.863 -21.860 -3.154 1.00 0.00 N ATOM 227 CA LYS A 18 -5.281 -22.007 -1.766 1.00 0.00 C ATOM 228 C LYS A 18 -5.080 -23.428 -1.270 1.00 0.00 C ATOM 229 O LYS A 18 -6.007 -24.225 -1.283 1.00 0.00 O ATOM 230 CB LYS A 18 -6.736 -21.581 -1.659 1.00 0.00 C ATOM 231 CG LYS A 18 -7.112 -21.406 -0.190 1.00 0.00 C ATOM 232 CD LYS A 18 -8.605 -21.089 -0.102 1.00 0.00 C ATOM 233 CE LYS A 18 -8.938 -20.787 1.351 1.00 0.00 C ATOM 234 NZ LYS A 18 -10.377 -20.881 1.659 1.00 0.00 N ATOM 0 H LYS A 18 -5.565 -22.156 -3.832 1.00 0.00 H new ATOM 0 HA LYS A 18 -4.665 -21.372 -1.130 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -6.892 -20.647 -2.199 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -7.379 -22.329 -2.123 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -6.885 -22.314 0.369 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -6.528 -20.602 0.257 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -8.851 -20.236 -0.734 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -9.195 -21.932 -0.461 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -8.392 -21.479 1.992 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -8.588 -19.784 1.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -10.507 -21.375 2.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -10.781 -19.925 1.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.860 -21.410 0.905 1.00 0.00 H new ATOM 248 N GLY A 19 -3.880 -23.725 -0.802 1.00 0.00 N ATOM 249 CA GLY A 19 -3.425 -25.091 -0.553 1.00 0.00 C ATOM 250 C GLY A 19 -4.367 -25.923 0.320 1.00 0.00 C ATOM 251 O GLY A 19 -4.977 -26.873 -0.163 1.00 0.00 O ATOM 0 H GLY A 19 -3.181 -23.017 -0.580 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.294 -25.597 -1.509 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -2.446 -25.053 -0.076 1.00 0.00 H new ATOM 255 N ALA A 20 -4.479 -25.597 1.607 1.00 0.00 N ATOM 256 CA ALA A 20 -5.346 -26.264 2.572 1.00 0.00 C ATOM 257 C ALA A 20 -5.627 -25.314 3.735 1.00 0.00 C ATOM 258 O ALA A 20 -6.765 -24.903 3.933 1.00 0.00 O ATOM 259 CB ALA A 20 -4.688 -27.552 3.079 1.00 0.00 C ATOM 0 H ALA A 20 -3.947 -24.831 2.020 1.00 0.00 H new ATOM 0 HA ALA A 20 -6.286 -26.531 2.090 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -5.347 -28.038 3.798 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -4.508 -28.224 2.240 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.740 -27.311 3.560 1.00 0.00 H new ATOM 265 N GLN A 21 -4.576 -24.920 4.464 1.00 0.00 N ATOM 266 CA GLN A 21 -4.572 -24.053 5.651 1.00 0.00 C ATOM 267 C GLN A 21 -5.022 -22.602 5.389 1.00 0.00 C ATOM 268 O GLN A 21 -4.967 -21.763 6.295 1.00 0.00 O ATOM 269 CB GLN A 21 -3.151 -24.112 6.255 1.00 0.00 C ATOM 270 CG GLN A 21 -2.992 -25.398 7.079 1.00 0.00 C ATOM 271 CD GLN A 21 -1.576 -25.971 7.093 1.00 0.00 C ATOM 272 OE1 GLN A 21 -0.653 -25.398 7.669 1.00 0.00 O ATOM 273 NE2 GLN A 21 -1.400 -27.166 6.560 1.00 0.00 N ATOM 0 H GLN A 21 -3.632 -25.222 4.221 1.00 0.00 H new ATOM 0 HA GLN A 21 -5.319 -24.427 6.352 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -2.406 -24.084 5.460 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -2.977 -23.240 6.886 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -3.299 -25.197 8.105 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -3.672 -26.153 6.685 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -2.173 -27.631 6.085 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -0.491 -27.624 6.624 1.00 0.00 H new ATOM 282 N GLY A 22 -5.488 -22.311 4.173 1.00 0.00 N ATOM 283 CA GLY A 22 -5.861 -20.991 3.711 1.00 0.00 C ATOM 284 C GLY A 22 -4.617 -20.295 3.194 1.00 0.00 C ATOM 285 O GLY A 22 -4.128 -19.351 3.803 1.00 0.00 O ATOM 0 H GLY A 22 -5.618 -23.027 3.459 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.610 -21.063 2.923 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -6.307 -20.417 4.523 1.00 0.00 H new ATOM 289 N PHE A 23 -4.143 -20.767 2.037 1.00 0.00 N ATOM 290 CA PHE A 23 -2.910 -20.357 1.372 1.00 0.00 C ATOM 291 C PHE A 23 -1.682 -20.696 2.224 1.00 0.00 C ATOM 292 O PHE A 23 -1.768 -21.196 3.352 1.00 0.00 O ATOM 293 CB PHE A 23 -2.950 -18.875 0.948 1.00 0.00 C ATOM 294 CG PHE A 23 -4.155 -18.493 0.111 1.00 0.00 C ATOM 295 CD1 PHE A 23 -5.383 -18.179 0.730 1.00 0.00 C ATOM 296 CD2 PHE A 23 -4.055 -18.461 -1.293 1.00 0.00 C ATOM 297 CE1 PHE A 23 -6.511 -17.880 -0.049 1.00 0.00 C ATOM 298 CE2 PHE A 23 -5.180 -18.137 -2.070 1.00 0.00 C ATOM 299 CZ PHE A 23 -6.410 -17.847 -1.447 1.00 0.00 C ATOM 0 H PHE A 23 -4.641 -21.486 1.512 1.00 0.00 H new ATOM 0 HA PHE A 23 -2.823 -20.932 0.450 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -2.934 -18.253 1.843 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -2.045 -18.647 0.385 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -5.455 -18.169 1.808 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -3.114 -18.685 -1.773 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -7.458 -17.675 0.429 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -5.102 -18.110 -3.147 1.00 0.00 H new ATOM 0 HZ PHE A 23 -7.274 -17.600 -2.046 1.00 0.00 H new ATOM 309 N GLY A 24 -0.503 -20.495 1.649 1.00 0.00 N ATOM 310 CA GLY A 24 0.762 -20.677 2.337 1.00 0.00 C ATOM 311 C GLY A 24 1.401 -19.320 2.539 1.00 0.00 C ATOM 312 O GLY A 24 2.557 -19.125 2.193 1.00 0.00 O ATOM 0 H GLY A 24 -0.401 -20.197 0.679 1.00 0.00 H new ATOM 0 HA2 GLY A 24 0.603 -21.167 3.298 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.420 -21.322 1.755 1.00 0.00 H new ATOM 316 N PHE A 25 0.650 -18.354 3.053 1.00 0.00 N ATOM 317 CA PHE A 25 1.173 -17.076 3.492 1.00 0.00 C ATOM 318 C PHE A 25 0.165 -16.504 4.484 1.00 0.00 C ATOM 319 O PHE A 25 -0.989 -16.951 4.537 1.00 0.00 O ATOM 320 CB PHE A 25 1.423 -16.150 2.288 1.00 0.00 C ATOM 321 CG PHE A 25 0.173 -15.600 1.636 1.00 0.00 C ATOM 322 CD1 PHE A 25 -0.409 -14.400 2.093 1.00 0.00 C ATOM 323 CD2 PHE A 25 -0.408 -16.295 0.565 1.00 0.00 C ATOM 324 CE1 PHE A 25 -1.576 -13.904 1.485 1.00 0.00 C ATOM 325 CE2 PHE A 25 -1.564 -15.793 -0.047 1.00 0.00 C ATOM 326 CZ PHE A 25 -2.152 -14.598 0.408 1.00 0.00 C ATOM 0 H PHE A 25 -0.359 -18.443 3.177 1.00 0.00 H new ATOM 0 HA PHE A 25 2.141 -17.182 3.982 1.00 0.00 H new ATOM 0 HB2 PHE A 25 2.043 -15.315 2.613 1.00 0.00 H new ATOM 0 HB3 PHE A 25 1.995 -16.698 1.539 1.00 0.00 H new ATOM 0 HD1 PHE A 25 0.043 -13.860 2.912 1.00 0.00 H new ATOM 0 HD2 PHE A 25 0.035 -17.215 0.213 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -2.028 -12.992 1.845 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -2.007 -16.327 -0.874 1.00 0.00 H new ATOM 0 HZ PHE A 25 -3.043 -14.216 -0.069 1.00 0.00 H new ATOM 336 N THR A 26 0.589 -15.517 5.257 1.00 0.00 N ATOM 337 CA THR A 26 -0.192 -14.918 6.324 1.00 0.00 C ATOM 338 C THR A 26 -0.351 -13.428 6.040 1.00 0.00 C ATOM 339 O THR A 26 0.410 -12.854 5.249 1.00 0.00 O ATOM 340 CB THR A 26 0.494 -15.233 7.664 1.00 0.00 C ATOM 341 OG1 THR A 26 1.848 -14.819 7.692 1.00 0.00 O ATOM 342 CG2 THR A 26 0.524 -16.742 7.905 1.00 0.00 C ATOM 0 H THR A 26 1.514 -15.099 5.155 1.00 0.00 H new ATOM 0 HA THR A 26 -1.200 -15.330 6.381 1.00 0.00 H new ATOM 0 HB THR A 26 -0.083 -14.699 8.419 1.00 0.00 H new ATOM 0 HG1 THR A 26 2.239 -15.039 8.563 1.00 0.00 H new ATOM 0 HG21 THR A 26 1.013 -16.949 8.857 1.00 0.00 H new ATOM 0 HG22 THR A 26 -0.495 -17.127 7.929 1.00 0.00 H new ATOM 0 HG23 THR A 26 1.076 -17.228 7.101 1.00 0.00 H new ATOM 350 N ILE A 27 -1.324 -12.779 6.679 1.00 0.00 N ATOM 351 CA ILE A 27 -1.599 -11.364 6.483 1.00 0.00 C ATOM 352 C ILE A 27 -1.527 -10.625 7.817 1.00 0.00 C ATOM 353 O ILE A 27 -1.556 -11.220 8.898 1.00 0.00 O ATOM 354 CB ILE A 27 -2.907 -11.123 5.681 1.00 0.00 C ATOM 355 CG1 ILE A 27 -4.196 -11.532 6.427 1.00 0.00 C ATOM 356 CG2 ILE A 27 -2.813 -11.823 4.314 1.00 0.00 C ATOM 357 CD1 ILE A 27 -5.485 -11.155 5.674 1.00 0.00 C ATOM 0 H ILE A 27 -1.946 -13.228 7.351 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.821 -10.936 5.851 1.00 0.00 H new ATOM 0 HB ILE A 27 -2.992 -10.045 5.544 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -4.184 -12.609 6.594 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -4.205 -11.057 7.408 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -3.732 -11.652 3.754 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -1.968 -11.420 3.756 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.672 -12.894 4.462 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -6.351 -11.472 6.255 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -5.520 -10.075 5.530 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -5.498 -11.651 4.704 1.00 0.00 H new ATOM 369 N ALA A 28 -1.408 -9.307 7.735 1.00 0.00 N ATOM 370 CA ALA A 28 -1.344 -8.395 8.854 1.00 0.00 C ATOM 371 C ALA A 28 -2.206 -7.191 8.523 1.00 0.00 C ATOM 372 O ALA A 28 -2.180 -6.696 7.394 1.00 0.00 O ATOM 373 CB ALA A 28 0.107 -7.962 9.085 1.00 0.00 C ATOM 0 H ALA A 28 -1.351 -8.827 6.837 1.00 0.00 H new ATOM 0 HA ALA A 28 -1.706 -8.876 9.763 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.151 -7.274 9.930 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.719 -8.839 9.298 1.00 0.00 H new ATOM 0 HB3 ALA A 28 0.485 -7.465 8.192 1.00 0.00 H new ATOM 379 N ASP A 29 -2.928 -6.700 9.524 1.00 0.00 N ATOM 380 CA ASP A 29 -3.604 -5.415 9.447 1.00 0.00 C ATOM 381 C ASP A 29 -2.520 -4.341 9.507 1.00 0.00 C ATOM 382 O ASP A 29 -1.714 -4.309 10.441 1.00 0.00 O ATOM 383 CB ASP A 29 -4.681 -5.304 10.546 1.00 0.00 C ATOM 384 CG ASP A 29 -4.572 -4.048 11.406 1.00 0.00 C ATOM 385 OD1 ASP A 29 -5.048 -2.971 10.983 1.00 0.00 O ATOM 386 OD2 ASP A 29 -3.991 -4.114 12.514 1.00 0.00 O ATOM 0 H ASP A 29 -3.060 -7.184 10.412 1.00 0.00 H new ATOM 0 HA ASP A 29 -4.156 -5.289 8.515 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -5.665 -5.326 10.078 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -4.616 -6.180 11.192 1.00 0.00 H new ATOM 391 N SER A 30 -2.445 -3.505 8.478 1.00 0.00 N ATOM 392 CA SER A 30 -1.584 -2.335 8.431 1.00 0.00 C ATOM 393 C SER A 30 -2.490 -1.098 8.498 1.00 0.00 C ATOM 394 O SER A 30 -3.704 -1.205 8.296 1.00 0.00 O ATOM 395 CB SER A 30 -0.703 -2.406 7.166 1.00 0.00 C ATOM 396 OG SER A 30 -1.362 -1.901 6.018 1.00 0.00 O ATOM 0 H SER A 30 -2.999 -3.628 7.630 1.00 0.00 H new ATOM 0 HA SER A 30 -0.892 -2.284 9.272 1.00 0.00 H new ATOM 0 HB2 SER A 30 0.214 -1.841 7.333 1.00 0.00 H new ATOM 0 HB3 SER A 30 -0.411 -3.441 6.988 1.00 0.00 H new ATOM 0 HG SER A 30 -2.271 -2.264 5.977 1.00 0.00 H new ATOM 402 N PRO A 31 -1.929 0.102 8.706 1.00 0.00 N ATOM 403 CA PRO A 31 -2.710 1.327 8.644 1.00 0.00 C ATOM 404 C PRO A 31 -3.259 1.594 7.238 1.00 0.00 C ATOM 405 O PRO A 31 -4.115 2.463 7.080 1.00 0.00 O ATOM 406 CB PRO A 31 -1.781 2.443 9.121 1.00 0.00 C ATOM 407 CG PRO A 31 -0.366 1.865 9.067 1.00 0.00 C ATOM 408 CD PRO A 31 -0.522 0.360 8.950 1.00 0.00 C ATOM 0 HA PRO A 31 -3.595 1.257 9.277 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -1.868 3.322 8.483 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -2.036 2.757 10.133 1.00 0.00 H new ATOM 0 HG2 PRO A 31 0.185 2.266 8.216 1.00 0.00 H new ATOM 0 HG3 PRO A 31 0.196 2.129 9.963 1.00 0.00 H new ATOM 0 HD2 PRO A 31 0.089 -0.030 8.136 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -0.191 -0.135 9.863 1.00 0.00 H new ATOM 416 N THR A 32 -2.817 0.855 6.222 1.00 0.00 N ATOM 417 CA THR A 32 -3.090 1.125 4.818 1.00 0.00 C ATOM 418 C THR A 32 -3.947 0.036 4.160 1.00 0.00 C ATOM 419 O THR A 32 -4.108 0.058 2.946 1.00 0.00 O ATOM 420 CB THR A 32 -1.737 1.365 4.121 1.00 0.00 C ATOM 421 OG1 THR A 32 -0.729 0.430 4.490 1.00 0.00 O ATOM 422 CG2 THR A 32 -1.194 2.739 4.517 1.00 0.00 C ATOM 0 H THR A 32 -2.240 0.025 6.362 1.00 0.00 H new ATOM 0 HA THR A 32 -3.704 2.020 4.717 1.00 0.00 H new ATOM 0 HB THR A 32 -1.940 1.271 3.054 1.00 0.00 H new ATOM 0 HG1 THR A 32 -1.148 -0.372 4.867 1.00 0.00 H new ATOM 0 HG21 THR A 32 -0.237 2.908 4.024 1.00 0.00 H new ATOM 0 HG22 THR A 32 -1.901 3.511 4.212 1.00 0.00 H new ATOM 0 HG23 THR A 32 -1.057 2.778 5.598 1.00 0.00 H new ATOM 430 N GLY A 33 -4.467 -0.930 4.921 1.00 0.00 N ATOM 431 CA GLY A 33 -5.143 -2.110 4.392 1.00 0.00 C ATOM 432 C GLY A 33 -4.433 -3.353 4.906 1.00 0.00 C ATOM 433 O GLY A 33 -3.536 -3.256 5.754 1.00 0.00 O ATOM 0 H GLY A 33 -4.428 -0.911 5.940 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.188 -2.117 4.702 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -5.134 -2.093 3.302 1.00 0.00 H new ATOM 437 N GLN A 34 -4.804 -4.530 4.415 1.00 0.00 N ATOM 438 CA GLN A 34 -4.081 -5.738 4.789 1.00 0.00 C ATOM 439 C GLN A 34 -2.772 -5.787 4.009 1.00 0.00 C ATOM 440 O GLN A 34 -2.683 -5.301 2.881 1.00 0.00 O ATOM 441 CB GLN A 34 -4.920 -7.007 4.588 1.00 0.00 C ATOM 442 CG GLN A 34 -6.259 -7.007 5.336 1.00 0.00 C ATOM 443 CD GLN A 34 -6.178 -6.402 6.728 1.00 0.00 C ATOM 444 OE1 GLN A 34 -5.615 -7.008 7.637 1.00 0.00 O ATOM 445 NE2 GLN A 34 -6.737 -5.214 6.898 1.00 0.00 N ATOM 0 H GLN A 34 -5.583 -4.672 3.772 1.00 0.00 H new ATOM 0 HA GLN A 34 -3.862 -5.703 5.856 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -5.113 -7.135 3.523 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -4.337 -7.869 4.912 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -6.993 -6.453 4.750 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -6.622 -8.032 5.415 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -7.194 -4.748 6.114 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -6.711 -4.764 7.813 1.00 0.00 H new ATOM 454 N ARG A 35 -1.755 -6.397 4.600 1.00 0.00 N ATOM 455 CA ARG A 35 -0.477 -6.676 3.964 1.00 0.00 C ATOM 456 C ARG A 35 -0.138 -8.120 4.190 1.00 0.00 C ATOM 457 O ARG A 35 -0.679 -8.762 5.085 1.00 0.00 O ATOM 458 CB ARG A 35 0.626 -5.798 4.557 1.00 0.00 C ATOM 459 CG ARG A 35 0.504 -4.330 4.153 1.00 0.00 C ATOM 460 CD ARG A 35 1.706 -3.616 4.761 1.00 0.00 C ATOM 461 NE ARG A 35 1.561 -2.155 4.776 1.00 0.00 N ATOM 462 CZ ARG A 35 2.150 -1.338 5.656 1.00 0.00 C ATOM 463 NH1 ARG A 35 2.994 -1.822 6.566 1.00 0.00 N ATOM 464 NH2 ARG A 35 1.863 -0.043 5.637 1.00 0.00 N ATOM 0 H ARG A 35 -1.799 -6.721 5.566 1.00 0.00 H new ATOM 0 HA ARG A 35 -0.552 -6.461 2.898 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.597 -5.873 5.644 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.596 -6.178 4.237 1.00 0.00 H new ATOM 0 HG2 ARG A 35 0.498 -4.225 3.068 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.429 -3.902 4.520 1.00 0.00 H new ATOM 0 HD2 ARG A 35 1.854 -3.971 5.781 1.00 0.00 H new ATOM 0 HD3 ARG A 35 2.601 -3.881 4.198 1.00 0.00 H new ATOM 0 HE ARG A 35 0.967 -1.732 4.063 1.00 0.00 H new ATOM 0 HH11 ARG A 35 3.195 -2.822 6.595 1.00 0.00 H new ATOM 0 HH12 ARG A 35 3.440 -1.193 7.234 1.00 0.00 H new ATOM 0 HH21 ARG A 35 1.198 0.322 4.955 1.00 0.00 H new ATOM 0 HH22 ARG A 35 2.307 0.588 6.304 1.00 0.00 H new ATOM 478 N VAL A 36 0.809 -8.600 3.409 1.00 0.00 N ATOM 479 CA VAL A 36 1.432 -9.884 3.627 1.00 0.00 C ATOM 480 C VAL A 36 2.294 -9.741 4.876 1.00 0.00 C ATOM 481 O VAL A 36 3.179 -8.882 4.926 1.00 0.00 O ATOM 482 CB VAL A 36 2.264 -10.230 2.393 1.00 0.00 C ATOM 483 CG1 VAL A 36 2.976 -11.583 2.559 1.00 0.00 C ATOM 484 CG2 VAL A 36 1.415 -10.290 1.132 1.00 0.00 C ATOM 0 H VAL A 36 1.170 -8.101 2.596 1.00 0.00 H new ATOM 0 HA VAL A 36 0.711 -10.688 3.775 1.00 0.00 H new ATOM 0 HB VAL A 36 3.000 -9.432 2.293 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.559 -11.800 1.664 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.639 -11.542 3.423 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.235 -12.368 2.708 1.00 0.00 H new ATOM 0 HG21 VAL A 36 2.047 -10.539 0.279 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.645 -11.053 1.248 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.944 -9.321 0.964 1.00 0.00 H new ATOM 494 N LYS A 37 2.023 -10.581 5.873 1.00 0.00 N ATOM 495 CA LYS A 37 2.875 -10.753 7.036 1.00 0.00 C ATOM 496 C LYS A 37 4.106 -11.546 6.613 1.00 0.00 C ATOM 497 O LYS A 37 5.216 -11.031 6.739 1.00 0.00 O ATOM 498 CB LYS A 37 2.056 -11.419 8.154 1.00 0.00 C ATOM 499 CG LYS A 37 2.843 -12.048 9.312 1.00 0.00 C ATOM 500 CD LYS A 37 3.953 -11.153 9.874 1.00 0.00 C ATOM 501 CE LYS A 37 4.215 -11.530 11.331 1.00 0.00 C ATOM 502 NZ LYS A 37 5.610 -11.275 11.733 1.00 0.00 N ATOM 0 H LYS A 37 1.190 -11.169 5.891 1.00 0.00 H new ATOM 0 HA LYS A 37 3.230 -9.803 7.436 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.380 -10.672 8.570 1.00 0.00 H new ATOM 0 HB3 LYS A 37 1.436 -12.195 7.704 1.00 0.00 H new ATOM 0 HG2 LYS A 37 2.150 -12.296 10.116 1.00 0.00 H new ATOM 0 HG3 LYS A 37 3.284 -12.985 8.971 1.00 0.00 H new ATOM 0 HD2 LYS A 37 4.863 -11.271 9.286 1.00 0.00 H new ATOM 0 HD3 LYS A 37 3.662 -10.105 9.804 1.00 0.00 H new ATOM 0 HE2 LYS A 37 3.544 -10.964 11.977 1.00 0.00 H new ATOM 0 HE3 LYS A 37 3.984 -12.585 11.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 5.739 -11.546 12.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 6.251 -11.835 11.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 5.825 -10.264 11.619 1.00 0.00 H new ATOM 516 N GLN A 38 3.925 -12.787 6.158 1.00 0.00 N ATOM 517 CA GLN A 38 5.025 -13.667 5.801 1.00 0.00 C ATOM 518 C GLN A 38 4.534 -14.687 4.778 1.00 0.00 C ATOM 519 O GLN A 38 3.394 -15.145 4.869 1.00 0.00 O ATOM 520 CB GLN A 38 5.523 -14.359 7.085 1.00 0.00 C ATOM 521 CG GLN A 38 6.739 -15.245 6.779 1.00 0.00 C ATOM 522 CD GLN A 38 7.543 -15.674 8.001 1.00 0.00 C ATOM 523 OE1 GLN A 38 7.580 -14.997 9.029 1.00 0.00 O ATOM 524 NE2 GLN A 38 8.236 -16.795 7.927 1.00 0.00 N ATOM 0 H GLN A 38 3.004 -13.206 6.028 1.00 0.00 H new ATOM 0 HA GLN A 38 5.849 -13.109 5.356 1.00 0.00 H new ATOM 0 HB2 GLN A 38 5.790 -13.609 7.830 1.00 0.00 H new ATOM 0 HB3 GLN A 38 4.723 -14.963 7.513 1.00 0.00 H new ATOM 0 HG2 GLN A 38 6.397 -16.138 6.255 1.00 0.00 H new ATOM 0 HG3 GLN A 38 7.399 -14.708 6.098 1.00 0.00 H new ATOM 0 HE21 GLN A 38 8.207 -17.357 7.077 1.00 0.00 H new ATOM 0 HE22 GLN A 38 8.801 -17.099 8.720 1.00 0.00 H new ATOM 533 N ILE A 39 5.390 -15.086 3.842 1.00 0.00 N ATOM 534 CA ILE A 39 5.147 -16.208 2.946 1.00 0.00 C ATOM 535 C ILE A 39 5.676 -17.465 3.623 1.00 0.00 C ATOM 536 O ILE A 39 6.769 -17.480 4.192 1.00 0.00 O ATOM 537 CB ILE A 39 5.778 -15.956 1.562 1.00 0.00 C ATOM 538 CG1 ILE A 39 5.042 -14.767 0.910 1.00 0.00 C ATOM 539 CG2 ILE A 39 5.643 -17.205 0.668 1.00 0.00 C ATOM 540 CD1 ILE A 39 5.719 -14.230 -0.354 1.00 0.00 C ATOM 0 H ILE A 39 6.288 -14.629 3.683 1.00 0.00 H new ATOM 0 HA ILE A 39 4.081 -16.333 2.759 1.00 0.00 H new ATOM 0 HB ILE A 39 6.839 -15.735 1.676 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.026 -15.074 0.662 1.00 0.00 H new ATOM 0 HG13 ILE A 39 4.963 -13.959 1.638 1.00 0.00 H new ATOM 0 HG21 ILE A 39 6.094 -17.007 -0.304 1.00 0.00 H new ATOM 0 HG22 ILE A 39 6.151 -18.046 1.139 1.00 0.00 H new ATOM 0 HG23 ILE A 39 4.588 -17.446 0.536 1.00 0.00 H new ATOM 0 HD11 ILE A 39 5.140 -13.396 -0.751 1.00 0.00 H new ATOM 0 HD12 ILE A 39 6.726 -13.890 -0.111 1.00 0.00 H new ATOM 0 HD13 ILE A 39 5.774 -15.021 -1.101 1.00 0.00 H new ATOM 552 N LEU A 40 4.893 -18.535 3.543 1.00 0.00 N ATOM 553 CA LEU A 40 5.172 -19.833 4.132 1.00 0.00 C ATOM 554 C LEU A 40 5.251 -20.928 3.058 1.00 0.00 C ATOM 555 O LEU A 40 5.619 -22.052 3.397 1.00 0.00 O ATOM 556 CB LEU A 40 4.097 -20.170 5.186 1.00 0.00 C ATOM 557 CG LEU A 40 3.791 -19.104 6.259 1.00 0.00 C ATOM 558 CD1 LEU A 40 2.709 -19.641 7.201 1.00 0.00 C ATOM 559 CD2 LEU A 40 5.004 -18.714 7.113 1.00 0.00 C ATOM 0 H LEU A 40 4.005 -18.517 3.041 1.00 0.00 H new ATOM 0 HA LEU A 40 6.145 -19.789 4.622 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.169 -20.394 4.660 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.402 -21.083 5.697 1.00 0.00 H new ATOM 0 HG LEU A 40 3.471 -18.213 5.720 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.486 -18.894 7.963 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.806 -19.858 6.631 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.064 -20.553 7.680 1.00 0.00 H new ATOM 0 HD21 LEU A 40 4.708 -17.961 7.843 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.381 -19.595 7.633 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.786 -18.309 6.471 1.00 0.00 H new ATOM 571 N ASP A 41 4.891 -20.634 1.804 1.00 0.00 N ATOM 572 CA ASP A 41 4.909 -21.523 0.645 1.00 0.00 C ATOM 573 C ASP A 41 5.012 -20.632 -0.596 1.00 0.00 C ATOM 574 O ASP A 41 4.065 -19.905 -0.913 1.00 0.00 O ATOM 575 CB ASP A 41 3.622 -22.360 0.584 1.00 0.00 C ATOM 576 CG ASP A 41 3.696 -23.503 -0.440 1.00 0.00 C ATOM 577 OD1 ASP A 41 4.196 -23.312 -1.571 1.00 0.00 O ATOM 578 OD2 ASP A 41 3.262 -24.633 -0.119 1.00 0.00 O ATOM 0 H ASP A 41 4.556 -19.702 1.559 1.00 0.00 H new ATOM 0 HA ASP A 41 5.748 -22.216 0.706 1.00 0.00 H new ATOM 0 HB2 ASP A 41 3.419 -22.776 1.571 1.00 0.00 H new ATOM 0 HB3 ASP A 41 2.784 -21.710 0.334 1.00 0.00 H new ATOM 583 N ILE A 42 6.167 -20.626 -1.261 1.00 0.00 N ATOM 584 CA ILE A 42 6.453 -19.757 -2.404 1.00 0.00 C ATOM 585 C ILE A 42 5.424 -19.996 -3.518 1.00 0.00 C ATOM 586 O ILE A 42 4.763 -19.058 -3.961 1.00 0.00 O ATOM 587 CB ILE A 42 7.924 -19.949 -2.846 1.00 0.00 C ATOM 588 CG1 ILE A 42 8.865 -19.403 -1.743 1.00 0.00 C ATOM 589 CG2 ILE A 42 8.225 -19.255 -4.187 1.00 0.00 C ATOM 590 CD1 ILE A 42 10.330 -19.813 -1.911 1.00 0.00 C ATOM 0 H ILE A 42 6.946 -21.237 -1.016 1.00 0.00 H new ATOM 0 HA ILE A 42 6.351 -18.708 -2.127 1.00 0.00 H new ATOM 0 HB ILE A 42 8.094 -21.016 -2.992 1.00 0.00 H new ATOM 0 HG12 ILE A 42 8.802 -18.315 -1.733 1.00 0.00 H new ATOM 0 HG13 ILE A 42 8.510 -19.751 -0.773 1.00 0.00 H new ATOM 0 HG21 ILE A 42 9.269 -19.418 -4.455 1.00 0.00 H new ATOM 0 HG22 ILE A 42 7.582 -19.669 -4.964 1.00 0.00 H new ATOM 0 HG23 ILE A 42 8.037 -18.185 -4.093 1.00 0.00 H new ATOM 0 HD11 ILE A 42 10.922 -19.390 -1.099 1.00 0.00 H new ATOM 0 HD12 ILE A 42 10.408 -20.900 -1.889 1.00 0.00 H new ATOM 0 HD13 ILE A 42 10.705 -19.441 -2.865 1.00 0.00 H new ATOM 602 N GLN A 43 5.235 -21.241 -3.960 1.00 0.00 N ATOM 603 CA GLN A 43 4.236 -21.590 -4.963 1.00 0.00 C ATOM 604 C GLN A 43 2.803 -21.540 -4.409 1.00 0.00 C ATOM 605 O GLN A 43 1.851 -21.681 -5.174 1.00 0.00 O ATOM 606 CB GLN A 43 4.564 -22.970 -5.540 1.00 0.00 C ATOM 607 CG GLN A 43 5.810 -22.944 -6.442 1.00 0.00 C ATOM 608 CD GLN A 43 6.218 -24.331 -6.941 1.00 0.00 C ATOM 609 OE1 GLN A 43 7.405 -24.621 -7.076 1.00 0.00 O ATOM 610 NE2 GLN A 43 5.280 -25.207 -7.265 1.00 0.00 N ATOM 0 H GLN A 43 5.777 -22.039 -3.627 1.00 0.00 H new ATOM 0 HA GLN A 43 4.275 -20.845 -5.758 1.00 0.00 H new ATOM 0 HB2 GLN A 43 4.724 -23.674 -4.724 1.00 0.00 H new ATOM 0 HB3 GLN A 43 3.711 -23.334 -6.113 1.00 0.00 H new ATOM 0 HG2 GLN A 43 5.618 -22.298 -7.299 1.00 0.00 H new ATOM 0 HG3 GLN A 43 6.641 -22.504 -5.891 1.00 0.00 H new ATOM 0 HE21 GLN A 43 4.296 -24.965 -7.152 1.00 0.00 H new ATOM 0 HE22 GLN A 43 5.542 -26.124 -7.627 1.00 0.00 H new ATOM 619 N GLY A 44 2.615 -21.284 -3.113 1.00 0.00 N ATOM 620 CA GLY A 44 1.333 -20.865 -2.569 1.00 0.00 C ATOM 621 C GLY A 44 1.010 -19.411 -2.929 1.00 0.00 C ATOM 622 O GLY A 44 -0.148 -19.004 -2.803 1.00 0.00 O ATOM 0 H GLY A 44 3.353 -21.363 -2.414 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.546 -21.517 -2.949 1.00 0.00 H new ATOM 0 HA3 GLY A 44 1.344 -20.977 -1.485 1.00 0.00 H new ATOM 626 N CYS A 45 1.996 -18.617 -3.368 1.00 0.00 N ATOM 627 CA CYS A 45 1.808 -17.227 -3.756 1.00 0.00 C ATOM 628 C CYS A 45 2.796 -16.751 -4.848 1.00 0.00 C ATOM 629 O CYS A 45 3.524 -15.783 -4.613 1.00 0.00 O ATOM 630 CB CYS A 45 1.900 -16.337 -2.508 1.00 0.00 C ATOM 631 SG CYS A 45 3.494 -16.573 -1.698 1.00 0.00 S ATOM 0 H CYS A 45 2.960 -18.935 -3.462 1.00 0.00 H new ATOM 0 HA CYS A 45 0.817 -17.146 -4.203 1.00 0.00 H new ATOM 0 HB2 CYS A 45 1.776 -15.291 -2.788 1.00 0.00 H new ATOM 0 HB3 CYS A 45 1.092 -16.580 -1.818 1.00 0.00 H new ATOM 0 HG CYS A 45 3.668 -17.836 -1.443 1.00 0.00 H new ATOM 637 N PRO A 46 2.857 -17.375 -6.034 1.00 0.00 N ATOM 638 CA PRO A 46 3.902 -17.092 -7.012 1.00 0.00 C ATOM 639 C PRO A 46 3.848 -15.631 -7.489 1.00 0.00 C ATOM 640 O PRO A 46 2.895 -15.223 -8.160 1.00 0.00 O ATOM 641 CB PRO A 46 3.704 -18.118 -8.132 1.00 0.00 C ATOM 642 CG PRO A 46 2.222 -18.479 -8.036 1.00 0.00 C ATOM 643 CD PRO A 46 1.948 -18.389 -6.537 1.00 0.00 C ATOM 0 HA PRO A 46 4.902 -17.190 -6.591 1.00 0.00 H new ATOM 0 HB2 PRO A 46 3.951 -17.699 -9.107 1.00 0.00 H new ATOM 0 HB3 PRO A 46 4.339 -18.993 -7.991 1.00 0.00 H new ATOM 0 HG2 PRO A 46 1.600 -17.787 -8.603 1.00 0.00 H new ATOM 0 HG3 PRO A 46 2.023 -19.478 -8.424 1.00 0.00 H new ATOM 0 HD2 PRO A 46 0.911 -18.116 -6.344 1.00 0.00 H new ATOM 0 HD3 PRO A 46 2.121 -19.348 -6.049 1.00 0.00 H new ATOM 651 N GLY A 47 4.867 -14.843 -7.131 1.00 0.00 N ATOM 652 CA GLY A 47 5.003 -13.427 -7.465 1.00 0.00 C ATOM 653 C GLY A 47 4.761 -12.490 -6.277 1.00 0.00 C ATOM 654 O GLY A 47 4.933 -11.280 -6.419 1.00 0.00 O ATOM 0 H GLY A 47 5.650 -15.191 -6.578 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.004 -13.250 -7.859 1.00 0.00 H new ATOM 0 HA3 GLY A 47 4.299 -13.181 -8.260 1.00 0.00 H new ATOM 658 N LEU A 48 4.342 -13.000 -5.114 1.00 0.00 N ATOM 659 CA LEU A 48 4.167 -12.209 -3.901 1.00 0.00 C ATOM 660 C LEU A 48 5.536 -11.900 -3.280 1.00 0.00 C ATOM 661 O LEU A 48 6.380 -12.798 -3.233 1.00 0.00 O ATOM 662 CB LEU A 48 3.294 -13.050 -2.961 1.00 0.00 C ATOM 663 CG LEU A 48 2.612 -12.285 -1.821 1.00 0.00 C ATOM 664 CD1 LEU A 48 1.590 -11.313 -2.414 1.00 0.00 C ATOM 665 CD2 LEU A 48 1.856 -13.266 -0.913 1.00 0.00 C ATOM 0 H LEU A 48 4.113 -13.986 -4.992 1.00 0.00 H new ATOM 0 HA LEU A 48 3.689 -11.250 -4.101 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.524 -13.542 -3.555 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.913 -13.836 -2.527 1.00 0.00 H new ATOM 0 HG LEU A 48 3.371 -11.752 -1.248 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.100 -10.765 -1.609 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.097 -10.611 -3.076 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.844 -11.870 -2.980 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.374 -12.716 -0.105 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.100 -13.792 -1.496 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.557 -13.987 -0.493 1.00 0.00 H new ATOM 677 N CYS A 49 5.754 -10.679 -2.774 1.00 0.00 N ATOM 678 CA CYS A 49 7.079 -10.192 -2.355 1.00 0.00 C ATOM 679 C CYS A 49 7.132 -9.714 -0.895 1.00 0.00 C ATOM 680 O CYS A 49 8.118 -9.114 -0.480 1.00 0.00 O ATOM 681 CB CYS A 49 7.501 -9.050 -3.281 1.00 0.00 C ATOM 682 SG CYS A 49 7.547 -9.591 -5.017 1.00 0.00 S ATOM 0 H CYS A 49 5.010 -9.994 -2.642 1.00 0.00 H new ATOM 0 HA CYS A 49 7.764 -11.037 -2.425 1.00 0.00 H new ATOM 0 HB2 CYS A 49 6.806 -8.217 -3.175 1.00 0.00 H new ATOM 0 HB3 CYS A 49 8.484 -8.684 -2.986 1.00 0.00 H new ATOM 0 HG CYS A 49 6.442 -10.210 -5.308 1.00 0.00 H new ATOM 688 N GLU A 50 6.076 -9.969 -0.122 1.00 0.00 N ATOM 689 CA GLU A 50 5.907 -9.610 1.292 1.00 0.00 C ATOM 690 C GLU A 50 5.827 -8.092 1.515 1.00 0.00 C ATOM 691 O GLU A 50 6.281 -7.287 0.703 1.00 0.00 O ATOM 692 CB GLU A 50 6.938 -10.322 2.196 1.00 0.00 C ATOM 693 CG GLU A 50 6.623 -11.823 2.291 1.00 0.00 C ATOM 694 CD GLU A 50 7.805 -12.710 2.686 1.00 0.00 C ATOM 695 OE1 GLU A 50 8.815 -12.726 1.950 1.00 0.00 O ATOM 696 OE2 GLU A 50 7.692 -13.467 3.676 1.00 0.00 O ATOM 0 H GLU A 50 5.262 -10.463 -0.487 1.00 0.00 H new ATOM 0 HA GLU A 50 4.933 -9.987 1.602 1.00 0.00 H new ATOM 0 HB2 GLU A 50 7.942 -10.179 1.795 1.00 0.00 H new ATOM 0 HB3 GLU A 50 6.926 -9.878 3.191 1.00 0.00 H new ATOM 0 HG2 GLU A 50 5.823 -11.965 3.018 1.00 0.00 H new ATOM 0 HG3 GLU A 50 6.242 -12.160 1.327 1.00 0.00 H new ATOM 703 N GLY A 51 5.134 -7.680 2.583 1.00 0.00 N ATOM 704 CA GLY A 51 4.768 -6.291 2.858 1.00 0.00 C ATOM 705 C GLY A 51 3.916 -5.609 1.775 1.00 0.00 C ATOM 706 O GLY A 51 3.507 -4.467 1.985 1.00 0.00 O ATOM 0 H GLY A 51 4.804 -8.326 3.300 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.223 -6.256 3.801 1.00 0.00 H new ATOM 0 HA3 GLY A 51 5.681 -5.712 2.996 1.00 0.00 H new ATOM 710 N ASP A 52 3.609 -6.262 0.646 1.00 0.00 N ATOM 711 CA ASP A 52 2.728 -5.727 -0.396 1.00 0.00 C ATOM 712 C ASP A 52 1.324 -5.525 0.170 1.00 0.00 C ATOM 713 O ASP A 52 0.930 -6.185 1.136 1.00 0.00 O ATOM 714 CB ASP A 52 2.644 -6.646 -1.630 1.00 0.00 C ATOM 715 CG ASP A 52 3.814 -6.504 -2.608 1.00 0.00 C ATOM 716 OD1 ASP A 52 4.150 -5.346 -2.968 1.00 0.00 O ATOM 717 OD2 ASP A 52 4.343 -7.554 -3.042 1.00 0.00 O ATOM 0 H ASP A 52 3.972 -7.190 0.430 1.00 0.00 H new ATOM 0 HA ASP A 52 3.155 -4.777 -0.718 1.00 0.00 H new ATOM 0 HB2 ASP A 52 2.592 -7.681 -1.293 1.00 0.00 H new ATOM 0 HB3 ASP A 52 1.715 -6.436 -2.161 1.00 0.00 H new ATOM 722 N LEU A 53 0.538 -4.661 -0.473 1.00 0.00 N ATOM 723 CA LEU A 53 -0.660 -4.030 0.075 1.00 0.00 C ATOM 724 C LEU A 53 -1.902 -4.555 -0.644 1.00 0.00 C ATOM 725 O LEU A 53 -2.011 -4.335 -1.846 1.00 0.00 O ATOM 726 CB LEU A 53 -0.486 -2.513 -0.142 1.00 0.00 C ATOM 727 CG LEU A 53 -1.339 -1.561 0.705 1.00 0.00 C ATOM 728 CD1 LEU A 53 -2.733 -1.338 0.142 1.00 0.00 C ATOM 729 CD2 LEU A 53 -1.436 -1.972 2.179 1.00 0.00 C ATOM 0 H LEU A 53 0.729 -4.370 -1.432 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.789 -4.253 1.134 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.562 -2.269 0.034 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.691 -2.300 -1.191 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.799 -0.616 0.656 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.282 -0.655 0.790 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.658 -0.909 -0.857 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.261 -2.290 0.089 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.054 -1.253 2.717 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.884 -2.963 2.252 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.438 -1.992 2.617 1.00 0.00 H new ATOM 741 N ILE A 54 -2.789 -5.283 0.042 1.00 0.00 N ATOM 742 CA ILE A 54 -4.034 -5.826 -0.512 1.00 0.00 C ATOM 743 C ILE A 54 -4.965 -4.670 -0.894 1.00 0.00 C ATOM 744 O ILE A 54 -5.255 -3.798 -0.068 1.00 0.00 O ATOM 745 CB ILE A 54 -4.694 -6.809 0.501 1.00 0.00 C ATOM 746 CG1 ILE A 54 -3.922 -8.149 0.534 1.00 0.00 C ATOM 747 CG2 ILE A 54 -6.184 -7.041 0.244 1.00 0.00 C ATOM 748 CD1 ILE A 54 -4.228 -9.099 1.702 1.00 0.00 C ATOM 0 H ILE A 54 -2.657 -5.518 1.026 1.00 0.00 H new ATOM 0 HA ILE A 54 -3.823 -6.399 -1.415 1.00 0.00 H new ATOM 0 HB ILE A 54 -4.631 -6.333 1.480 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -4.124 -8.680 -0.397 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.855 -7.926 0.549 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.577 -7.735 0.986 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.717 -6.093 0.315 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -6.320 -7.460 -0.753 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.622 -10.000 1.607 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.996 -8.603 2.645 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.284 -9.369 1.684 1.00 0.00 H new ATOM 760 N VAL A 55 -5.476 -4.710 -2.126 1.00 0.00 N ATOM 761 CA VAL A 55 -6.481 -3.781 -2.628 1.00 0.00 C ATOM 762 C VAL A 55 -7.667 -4.586 -3.141 1.00 0.00 C ATOM 763 O VAL A 55 -8.784 -4.305 -2.716 1.00 0.00 O ATOM 764 CB VAL A 55 -5.874 -2.861 -3.703 1.00 0.00 C ATOM 765 CG1 VAL A 55 -6.854 -1.819 -4.284 1.00 0.00 C ATOM 766 CG2 VAL A 55 -4.633 -2.106 -3.196 1.00 0.00 C ATOM 0 H VAL A 55 -5.194 -5.407 -2.816 1.00 0.00 H new ATOM 0 HA VAL A 55 -6.832 -3.125 -1.831 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.602 -3.555 -4.499 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.341 -1.215 -5.033 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.698 -2.331 -4.746 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.216 -1.174 -3.483 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.243 -1.471 -3.992 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.907 -1.489 -2.341 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -3.868 -2.823 -2.896 1.00 0.00 H new ATOM 776 N GLU A 56 -7.492 -5.584 -4.007 1.00 0.00 N ATOM 777 CA GLU A 56 -8.631 -6.350 -4.511 1.00 0.00 C ATOM 778 C GLU A 56 -8.353 -7.843 -4.374 1.00 0.00 C ATOM 779 O GLU A 56 -7.211 -8.290 -4.516 1.00 0.00 O ATOM 780 CB GLU A 56 -9.001 -5.911 -5.944 1.00 0.00 C ATOM 781 CG GLU A 56 -9.684 -4.534 -5.977 1.00 0.00 C ATOM 782 CD GLU A 56 -9.731 -3.917 -7.376 1.00 0.00 C ATOM 783 OE1 GLU A 56 -8.703 -3.374 -7.844 1.00 0.00 O ATOM 784 OE2 GLU A 56 -10.819 -3.937 -7.996 1.00 0.00 O ATOM 0 H GLU A 56 -6.585 -5.878 -4.370 1.00 0.00 H new ATOM 0 HA GLU A 56 -9.514 -6.141 -3.907 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.100 -5.881 -6.556 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -9.664 -6.653 -6.389 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -10.700 -4.631 -5.595 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -9.155 -3.857 -5.306 1.00 0.00 H new ATOM 791 N ILE A 57 -9.401 -8.619 -4.097 1.00 0.00 N ATOM 792 CA ILE A 57 -9.402 -10.080 -4.117 1.00 0.00 C ATOM 793 C ILE A 57 -10.533 -10.441 -5.057 1.00 0.00 C ATOM 794 O ILE A 57 -11.658 -10.027 -4.811 1.00 0.00 O ATOM 795 CB ILE A 57 -9.643 -10.704 -2.728 1.00 0.00 C ATOM 796 CG1 ILE A 57 -8.457 -10.443 -1.783 1.00 0.00 C ATOM 797 CG2 ILE A 57 -9.859 -12.227 -2.896 1.00 0.00 C ATOM 798 CD1 ILE A 57 -8.848 -10.593 -0.319 1.00 0.00 C ATOM 0 H ILE A 57 -10.309 -8.230 -3.842 1.00 0.00 H new ATOM 0 HA ILE A 57 -8.432 -10.463 -4.433 1.00 0.00 H new ATOM 0 HB ILE A 57 -10.526 -10.244 -2.285 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -7.649 -11.137 -2.015 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -8.072 -9.438 -1.954 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -10.031 -12.680 -1.920 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -10.724 -12.403 -3.535 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -8.974 -12.672 -3.352 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -7.980 -10.400 0.311 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -9.637 -9.880 -0.078 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -9.208 -11.606 -0.140 1.00 0.00 H new ATOM 810 N ASN A 58 -10.249 -11.188 -6.119 1.00 0.00 N ATOM 811 CA ASN A 58 -11.205 -11.590 -7.147 1.00 0.00 C ATOM 812 C ASN A 58 -12.087 -10.418 -7.588 1.00 0.00 C ATOM 813 O ASN A 58 -13.292 -10.570 -7.745 1.00 0.00 O ATOM 814 CB ASN A 58 -12.037 -12.798 -6.701 1.00 0.00 C ATOM 815 CG ASN A 58 -11.188 -14.015 -6.398 1.00 0.00 C ATOM 816 OD1 ASN A 58 -10.345 -14.434 -7.194 1.00 0.00 O ATOM 817 ND2 ASN A 58 -11.407 -14.620 -5.250 1.00 0.00 N ATOM 0 H ASN A 58 -9.310 -11.544 -6.295 1.00 0.00 H new ATOM 0 HA ASN A 58 -10.632 -11.902 -8.020 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -12.611 -12.531 -5.814 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -12.755 -13.047 -7.482 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -10.874 -15.454 -5.003 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -12.110 -14.255 -4.607 1.00 0.00 H new ATOM 824 N GLN A 59 -11.482 -9.237 -7.764 1.00 0.00 N ATOM 825 CA GLN A 59 -12.144 -8.008 -8.198 1.00 0.00 C ATOM 826 C GLN A 59 -13.170 -7.465 -7.179 1.00 0.00 C ATOM 827 O GLN A 59 -13.886 -6.510 -7.488 1.00 0.00 O ATOM 828 CB GLN A 59 -12.745 -8.186 -9.608 1.00 0.00 C ATOM 829 CG GLN A 59 -11.766 -8.745 -10.658 1.00 0.00 C ATOM 830 CD GLN A 59 -12.499 -9.065 -11.954 1.00 0.00 C ATOM 831 OE1 GLN A 59 -13.261 -8.248 -12.465 1.00 0.00 O ATOM 832 NE2 GLN A 59 -12.315 -10.258 -12.499 1.00 0.00 N ATOM 0 H GLN A 59 -10.483 -9.110 -7.602 1.00 0.00 H new ATOM 0 HA GLN A 59 -11.377 -7.236 -8.253 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -13.604 -8.853 -9.541 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -13.117 -7.222 -9.954 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -10.976 -8.019 -10.850 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -11.286 -9.645 -10.273 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -11.679 -10.925 -12.063 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -12.809 -10.509 -13.355 1.00 0.00 H new ATOM 841 N GLN A 60 -13.256 -8.016 -5.964 1.00 0.00 N ATOM 842 CA GLN A 60 -13.911 -7.394 -4.821 1.00 0.00 C ATOM 843 C GLN A 60 -12.968 -6.327 -4.257 1.00 0.00 C ATOM 844 O GLN A 60 -11.764 -6.564 -4.151 1.00 0.00 O ATOM 845 CB GLN A 60 -14.250 -8.472 -3.772 1.00 0.00 C ATOM 846 CG GLN A 60 -14.998 -7.907 -2.557 1.00 0.00 C ATOM 847 CD GLN A 60 -15.717 -8.938 -1.675 1.00 0.00 C ATOM 848 OE1 GLN A 60 -15.520 -10.232 -1.870 1.00 0.00 O flip ATOM 849 NE2 GLN A 60 -16.479 -8.567 -0.787 1.00 0.00 N flip ATOM 0 H GLN A 60 -12.860 -8.931 -5.748 1.00 0.00 H new ATOM 0 HA GLN A 60 -14.847 -6.918 -5.113 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -14.858 -9.247 -4.238 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -13.329 -8.948 -3.436 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -14.286 -7.361 -1.938 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -15.733 -7.184 -2.911 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -16.635 -7.571 -0.632 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -16.956 -9.255 -0.204 1.00 0.00 H new ATOM 858 N ASN A 61 -13.522 -5.173 -3.883 1.00 0.00 N ATOM 859 CA ASN A 61 -12.849 -3.993 -3.335 1.00 0.00 C ATOM 860 C ASN A 61 -12.642 -4.211 -1.828 1.00 0.00 C ATOM 861 O ASN A 61 -13.646 -4.348 -1.129 1.00 0.00 O ATOM 862 CB ASN A 61 -13.772 -2.775 -3.606 1.00 0.00 C ATOM 863 CG ASN A 61 -13.127 -1.396 -3.653 1.00 0.00 C ATOM 864 OD1 ASN A 61 -13.709 -0.467 -4.201 1.00 0.00 O ATOM 865 ND2 ASN A 61 -11.971 -1.179 -3.066 1.00 0.00 N ATOM 0 H ASN A 61 -14.529 -5.027 -3.961 1.00 0.00 H new ATOM 0 HA ASN A 61 -11.875 -3.821 -3.793 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -14.277 -2.942 -4.557 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -14.542 -2.759 -2.835 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -11.565 -0.243 -3.069 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -11.480 -1.946 -2.608 1.00 0.00 H new ATOM 872 N VAL A 62 -11.400 -4.273 -1.323 1.00 0.00 N ATOM 873 CA VAL A 62 -11.054 -4.684 0.054 1.00 0.00 C ATOM 874 C VAL A 62 -9.991 -3.736 0.699 1.00 0.00 C ATOM 875 O VAL A 62 -9.413 -4.076 1.732 1.00 0.00 O ATOM 876 CB VAL A 62 -10.586 -6.169 0.036 1.00 0.00 C ATOM 877 CG1 VAL A 62 -11.527 -7.154 -0.683 1.00 0.00 C ATOM 878 CG2 VAL A 62 -9.223 -6.429 -0.605 1.00 0.00 C ATOM 0 H VAL A 62 -10.579 -4.031 -1.878 1.00 0.00 H new ATOM 0 HA VAL A 62 -11.940 -4.602 0.684 1.00 0.00 H new ATOM 0 HB VAL A 62 -10.562 -6.346 1.111 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -11.107 -8.159 -0.637 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -12.502 -7.146 -0.197 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -11.639 -6.855 -1.725 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -8.998 -7.495 -0.563 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -9.242 -6.103 -1.645 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -8.455 -5.875 -0.065 1.00 0.00 H new ATOM 888 N GLN A 63 -9.681 -2.545 0.157 1.00 0.00 N ATOM 889 CA GLN A 63 -8.837 -1.554 0.833 1.00 0.00 C ATOM 890 C GLN A 63 -9.388 -1.148 2.194 1.00 0.00 C ATOM 891 O GLN A 63 -8.681 -1.192 3.199 1.00 0.00 O ATOM 892 CB GLN A 63 -8.747 -0.300 -0.051 1.00 0.00 C ATOM 893 CG GLN A 63 -7.482 -0.275 -0.893 1.00 0.00 C ATOM 894 CD GLN A 63 -6.296 0.250 -0.099 1.00 0.00 C ATOM 895 OE1 GLN A 63 -5.716 -0.589 0.741 1.00 0.00 O flip ATOM 896 NE2 GLN A 63 -5.911 1.408 -0.206 1.00 0.00 N flip ATOM 0 H GLN A 63 -10.010 -2.246 -0.761 1.00 0.00 H new ATOM 0 HA GLN A 63 -7.858 -2.007 0.992 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -9.617 -0.257 -0.706 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -8.778 0.589 0.579 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -7.264 -1.280 -1.254 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -7.640 0.352 -1.771 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -6.372 2.040 -0.860 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -5.129 1.740 0.359 1.00 0.00 H new ATOM 905 N ASN A 64 -10.639 -0.688 2.200 1.00 0.00 N ATOM 906 CA ASN A 64 -11.292 -0.137 3.385 1.00 0.00 C ATOM 907 C ASN A 64 -11.835 -1.254 4.286 1.00 0.00 C ATOM 908 O ASN A 64 -12.344 -0.990 5.375 1.00 0.00 O ATOM 909 CB ASN A 64 -12.410 0.788 2.902 1.00 0.00 C ATOM 910 CG ASN A 64 -12.949 1.709 3.992 1.00 0.00 C ATOM 911 OD1 ASN A 64 -12.288 2.662 4.390 1.00 0.00 O ATOM 912 ND2 ASN A 64 -14.182 1.521 4.431 1.00 0.00 N ATOM 0 H ASN A 64 -11.234 -0.688 1.371 1.00 0.00 H new ATOM 0 HA ASN A 64 -10.578 0.423 3.989 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -12.038 1.394 2.076 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -13.228 0.183 2.511 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -14.588 2.171 5.104 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -14.727 0.726 4.096 1.00 0.00 H new ATOM 919 N LEU A 65 -11.768 -2.505 3.815 1.00 0.00 N ATOM 920 CA LEU A 65 -12.162 -3.704 4.516 1.00 0.00 C ATOM 921 C LEU A 65 -11.294 -3.937 5.731 1.00 0.00 C ATOM 922 O LEU A 65 -10.064 -3.849 5.671 1.00 0.00 O ATOM 923 CB LEU A 65 -12.089 -4.895 3.547 1.00 0.00 C ATOM 924 CG LEU A 65 -13.407 -5.055 2.800 1.00 0.00 C ATOM 925 CD1 LEU A 65 -14.047 -3.816 2.197 1.00 0.00 C ATOM 926 CD2 LEU A 65 -13.571 -6.312 1.957 1.00 0.00 C ATOM 0 H LEU A 65 -11.415 -2.704 2.879 1.00 0.00 H new ATOM 0 HA LEU A 65 -13.186 -3.591 4.873 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -11.277 -4.744 2.836 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -11.864 -5.808 4.099 1.00 0.00 H new ATOM 0 HG LEU A 65 -14.041 -5.234 3.668 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -14.977 -4.092 1.700 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -14.258 -3.095 2.986 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -13.366 -3.371 1.472 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -14.550 -6.304 1.479 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -12.794 -6.342 1.193 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -13.486 -7.192 2.595 1.00 0.00 H new ATOM 938 N SER A 66 -11.963 -4.278 6.824 1.00 0.00 N ATOM 939 CA SER A 66 -11.307 -4.722 8.042 1.00 0.00 C ATOM 940 C SER A 66 -10.562 -6.025 7.760 1.00 0.00 C ATOM 941 O SER A 66 -10.900 -6.746 6.819 1.00 0.00 O ATOM 942 CB SER A 66 -12.356 -4.905 9.143 1.00 0.00 C ATOM 943 OG SER A 66 -13.124 -3.725 9.255 1.00 0.00 O ATOM 0 H SER A 66 -12.981 -4.254 6.889 1.00 0.00 H new ATOM 0 HA SER A 66 -10.585 -3.979 8.381 1.00 0.00 H new ATOM 0 HB2 SER A 66 -13.001 -5.752 8.910 1.00 0.00 H new ATOM 0 HB3 SER A 66 -11.869 -5.127 10.092 1.00 0.00 H new ATOM 0 HG SER A 66 -13.798 -3.839 9.958 1.00 0.00 H new ATOM 949 N HIS A 67 -9.600 -6.372 8.617 1.00 0.00 N ATOM 950 CA HIS A 67 -8.851 -7.622 8.517 1.00 0.00 C ATOM 951 C HIS A 67 -9.791 -8.810 8.336 1.00 0.00 C ATOM 952 O HIS A 67 -9.632 -9.596 7.409 1.00 0.00 O ATOM 953 CB HIS A 67 -7.973 -7.756 9.767 1.00 0.00 C ATOM 954 CG HIS A 67 -7.213 -9.052 9.876 1.00 0.00 C ATOM 955 ND1 HIS A 67 -5.953 -9.276 9.375 1.00 0.00 N ATOM 956 CD2 HIS A 67 -7.619 -10.184 10.530 1.00 0.00 C ATOM 957 CE1 HIS A 67 -5.587 -10.519 9.740 1.00 0.00 C ATOM 958 NE2 HIS A 67 -6.565 -11.105 10.461 1.00 0.00 N ATOM 0 H HIS A 67 -9.318 -5.788 9.405 1.00 0.00 H new ATOM 0 HA HIS A 67 -8.210 -7.610 7.636 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -7.260 -6.932 9.782 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -8.604 -7.647 10.649 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -5.397 -8.620 8.827 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -8.574 -10.339 11.010 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -4.644 -10.982 9.491 1.00 0.00 H new ATOM 966 N THR A 68 -10.805 -8.889 9.187 1.00 0.00 N ATOM 967 CA THR A 68 -11.801 -9.935 9.228 1.00 0.00 C ATOM 968 C THR A 68 -12.506 -10.115 7.884 1.00 0.00 C ATOM 969 O THR A 68 -12.669 -11.251 7.443 1.00 0.00 O ATOM 970 CB THR A 68 -12.800 -9.576 10.337 1.00 0.00 C ATOM 971 OG1 THR A 68 -12.174 -8.841 11.382 1.00 0.00 O ATOM 972 CG2 THR A 68 -13.406 -10.835 10.933 1.00 0.00 C ATOM 0 H THR A 68 -10.957 -8.181 9.906 1.00 0.00 H new ATOM 0 HA THR A 68 -11.320 -10.890 9.439 1.00 0.00 H new ATOM 0 HB THR A 68 -13.578 -8.962 9.882 1.00 0.00 H new ATOM 0 HG1 THR A 68 -12.836 -8.626 12.072 1.00 0.00 H new ATOM 0 HG21 THR A 68 -14.112 -10.563 11.718 1.00 0.00 H new ATOM 0 HG22 THR A 68 -13.926 -11.392 10.154 1.00 0.00 H new ATOM 0 HG23 THR A 68 -12.615 -11.455 11.356 1.00 0.00 H new ATOM 980 N GLU A 69 -12.864 -9.007 7.227 1.00 0.00 N ATOM 981 CA GLU A 69 -13.577 -8.971 5.956 1.00 0.00 C ATOM 982 C GLU A 69 -12.678 -9.611 4.887 1.00 0.00 C ATOM 983 O GLU A 69 -13.133 -10.449 4.113 1.00 0.00 O ATOM 984 CB GLU A 69 -13.980 -7.505 5.630 1.00 0.00 C ATOM 985 CG GLU A 69 -14.820 -6.814 6.725 1.00 0.00 C ATOM 986 CD GLU A 69 -16.334 -7.037 6.630 1.00 0.00 C ATOM 987 OE1 GLU A 69 -16.932 -6.854 5.541 1.00 0.00 O ATOM 988 OE2 GLU A 69 -16.966 -7.296 7.684 1.00 0.00 O ATOM 0 H GLU A 69 -12.654 -8.075 7.585 1.00 0.00 H new ATOM 0 HA GLU A 69 -14.505 -9.542 5.994 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -13.075 -6.922 5.462 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -14.544 -7.495 4.697 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -14.478 -7.166 7.698 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -14.624 -5.742 6.687 1.00 0.00 H new ATOM 995 N VAL A 70 -11.379 -9.287 4.882 1.00 0.00 N ATOM 996 CA VAL A 70 -10.408 -9.826 3.936 1.00 0.00 C ATOM 997 C VAL A 70 -10.178 -11.323 4.191 1.00 0.00 C ATOM 998 O VAL A 70 -10.152 -12.119 3.250 1.00 0.00 O ATOM 999 CB VAL A 70 -9.123 -8.974 4.029 1.00 0.00 C ATOM 1000 CG1 VAL A 70 -8.018 -9.440 3.079 1.00 0.00 C ATOM 1001 CG2 VAL A 70 -9.449 -7.505 3.703 1.00 0.00 C ATOM 0 H VAL A 70 -10.971 -8.631 5.549 1.00 0.00 H new ATOM 0 HA VAL A 70 -10.778 -9.763 2.913 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.756 -9.086 5.049 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -7.144 -8.799 3.195 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -7.747 -10.469 3.313 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -8.375 -9.384 2.051 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -8.540 -6.907 3.770 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -9.854 -7.438 2.693 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -10.184 -7.129 4.415 1.00 0.00 H new ATOM 1011 N VAL A 71 -10.038 -11.726 5.456 1.00 0.00 N ATOM 1012 CA VAL A 71 -9.907 -13.124 5.865 1.00 0.00 C ATOM 1013 C VAL A 71 -11.109 -13.922 5.378 1.00 0.00 C ATOM 1014 O VAL A 71 -10.938 -15.042 4.898 1.00 0.00 O ATOM 1015 CB VAL A 71 -9.773 -13.186 7.402 1.00 0.00 C ATOM 1016 CG1 VAL A 71 -9.888 -14.591 8.011 1.00 0.00 C ATOM 1017 CG2 VAL A 71 -8.425 -12.615 7.811 1.00 0.00 C ATOM 0 H VAL A 71 -10.012 -11.075 6.240 1.00 0.00 H new ATOM 0 HA VAL A 71 -9.015 -13.565 5.419 1.00 0.00 H new ATOM 0 HB VAL A 71 -10.614 -12.607 7.784 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -9.781 -14.528 9.094 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -10.862 -15.015 7.767 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -9.103 -15.229 7.605 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -8.326 -12.657 8.896 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -7.628 -13.199 7.351 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -8.353 -11.579 7.480 1.00 0.00 H new ATOM 1027 N ASP A 72 -12.300 -13.347 5.511 1.00 0.00 N ATOM 1028 CA ASP A 72 -13.571 -13.992 5.160 1.00 0.00 C ATOM 1029 C ASP A 72 -13.625 -14.265 3.663 1.00 0.00 C ATOM 1030 O ASP A 72 -13.967 -15.362 3.231 1.00 0.00 O ATOM 1031 CB ASP A 72 -14.786 -13.142 5.574 1.00 0.00 C ATOM 1032 CG ASP A 72 -15.544 -13.798 6.720 1.00 0.00 C ATOM 1033 OD1 ASP A 72 -15.965 -14.971 6.608 1.00 0.00 O ATOM 1034 OD2 ASP A 72 -15.599 -13.208 7.825 1.00 0.00 O ATOM 0 H ASP A 72 -12.416 -12.400 5.873 1.00 0.00 H new ATOM 0 HA ASP A 72 -13.619 -14.932 5.710 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -14.454 -12.148 5.874 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -15.451 -13.012 4.720 1.00 0.00 H new ATOM 1039 N ILE A 73 -13.223 -13.292 2.850 1.00 0.00 N ATOM 1040 CA ILE A 73 -13.198 -13.441 1.400 1.00 0.00 C ATOM 1041 C ILE A 73 -12.209 -14.548 1.026 1.00 0.00 C ATOM 1042 O ILE A 73 -12.527 -15.418 0.217 1.00 0.00 O ATOM 1043 CB ILE A 73 -12.867 -12.080 0.759 1.00 0.00 C ATOM 1044 CG1 ILE A 73 -14.004 -11.092 1.088 1.00 0.00 C ATOM 1045 CG2 ILE A 73 -12.721 -12.190 -0.768 1.00 0.00 C ATOM 1046 CD1 ILE A 73 -13.567 -9.636 0.988 1.00 0.00 C ATOM 0 H ILE A 73 -12.906 -12.380 3.178 1.00 0.00 H new ATOM 0 HA ILE A 73 -14.171 -13.744 1.014 1.00 0.00 H new ATOM 0 HB ILE A 73 -11.916 -11.731 1.162 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -14.837 -11.264 0.407 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -14.370 -11.289 2.096 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -12.488 -11.209 -1.183 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -11.917 -12.886 -1.007 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -13.655 -12.553 -1.198 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -14.408 -8.986 1.230 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -12.753 -9.452 1.689 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -13.227 -9.427 -0.026 1.00 0.00 H new ATOM 1058 N LEU A 74 -11.023 -14.564 1.640 1.00 0.00 N ATOM 1059 CA LEU A 74 -10.058 -15.632 1.411 1.00 0.00 C ATOM 1060 C LEU A 74 -10.578 -16.984 1.927 1.00 0.00 C ATOM 1061 O LEU A 74 -10.144 -18.024 1.427 1.00 0.00 O ATOM 1062 CB LEU A 74 -8.693 -15.273 2.020 1.00 0.00 C ATOM 1063 CG LEU A 74 -8.021 -14.030 1.398 1.00 0.00 C ATOM 1064 CD1 LEU A 74 -6.818 -13.607 2.252 1.00 0.00 C ATOM 1065 CD2 LEU A 74 -7.546 -14.272 -0.042 1.00 0.00 C ATOM 0 H LEU A 74 -10.712 -13.849 2.298 1.00 0.00 H new ATOM 0 HA LEU A 74 -9.922 -15.737 0.335 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -8.819 -15.105 3.090 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -8.024 -16.126 1.908 1.00 0.00 H new ATOM 0 HG LEU A 74 -8.775 -13.243 1.373 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -6.348 -12.729 1.808 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -7.154 -13.368 3.261 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -6.097 -14.423 2.294 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -7.082 -13.365 -0.429 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -6.820 -15.085 -0.054 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -8.399 -14.538 -0.667 1.00 0.00 H new ATOM 1077 N LYS A 75 -11.509 -17.019 2.888 1.00 0.00 N ATOM 1078 CA LYS A 75 -12.191 -18.245 3.314 1.00 0.00 C ATOM 1079 C LYS A 75 -13.185 -18.683 2.250 1.00 0.00 C ATOM 1080 O LYS A 75 -13.206 -19.876 1.937 1.00 0.00 O ATOM 1081 CB LYS A 75 -12.890 -18.070 4.670 1.00 0.00 C ATOM 1082 CG LYS A 75 -11.862 -18.061 5.807 1.00 0.00 C ATOM 1083 CD LYS A 75 -12.342 -17.416 7.110 1.00 0.00 C ATOM 1084 CE LYS A 75 -13.191 -18.267 8.057 1.00 0.00 C ATOM 1085 NZ LYS A 75 -14.440 -18.786 7.469 1.00 0.00 N ATOM 0 H LYS A 75 -11.812 -16.188 3.396 1.00 0.00 H new ATOM 0 HA LYS A 75 -11.436 -19.021 3.440 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -13.456 -17.139 4.676 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -13.605 -18.878 4.824 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -11.565 -19.089 6.016 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -10.970 -17.535 5.466 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -11.464 -17.078 7.660 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -12.918 -16.527 6.852 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -12.591 -19.109 8.403 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -13.439 -17.671 8.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -15.044 -19.172 8.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -14.942 -18.015 6.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -14.216 -19.537 6.785 1.00 0.00 H new ATOM 1099 N ASP A 76 -13.955 -17.764 1.663 1.00 0.00 N ATOM 1100 CA ASP A 76 -14.878 -18.058 0.561 1.00 0.00 C ATOM 1101 C ASP A 76 -14.129 -18.722 -0.596 1.00 0.00 C ATOM 1102 O ASP A 76 -14.680 -19.614 -1.240 1.00 0.00 O ATOM 1103 CB ASP A 76 -15.598 -16.798 0.033 1.00 0.00 C ATOM 1104 CG ASP A 76 -16.808 -16.322 0.841 1.00 0.00 C ATOM 1105 OD1 ASP A 76 -17.404 -17.136 1.589 1.00 0.00 O ATOM 1106 OD2 ASP A 76 -17.190 -15.137 0.664 1.00 0.00 O ATOM 0 H ASP A 76 -13.956 -16.783 1.942 1.00 0.00 H new ATOM 0 HA ASP A 76 -15.634 -18.733 0.963 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -14.875 -15.984 -0.012 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -15.924 -16.992 -0.989 1.00 0.00 H new ATOM 1111 N CYS A 77 -12.872 -18.330 -0.845 1.00 0.00 N ATOM 1112 CA CYS A 77 -12.076 -18.867 -1.945 1.00 0.00 C ATOM 1113 C CYS A 77 -11.985 -20.403 -1.910 1.00 0.00 C ATOM 1114 O CYS A 77 -11.782 -20.991 -0.839 1.00 0.00 O ATOM 1115 CB CYS A 77 -10.668 -18.276 -1.945 1.00 0.00 C ATOM 1116 SG CYS A 77 -10.725 -16.493 -2.247 1.00 0.00 S ATOM 0 H CYS A 77 -12.383 -17.631 -0.286 1.00 0.00 H new ATOM 0 HA CYS A 77 -12.591 -18.580 -2.862 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -10.185 -18.473 -0.988 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -10.064 -18.761 -2.712 1.00 0.00 H new ATOM 0 HG CYS A 77 -11.431 -15.918 -1.319 1.00 0.00 H new ATOM 1122 N PRO A 78 -12.086 -21.062 -3.073 1.00 0.00 N ATOM 1123 CA PRO A 78 -11.965 -22.502 -3.224 1.00 0.00 C ATOM 1124 C PRO A 78 -10.547 -22.959 -2.925 1.00 0.00 C ATOM 1125 O PRO A 78 -9.569 -22.288 -3.245 1.00 0.00 O ATOM 1126 CB PRO A 78 -12.396 -22.806 -4.660 1.00 0.00 C ATOM 1127 CG PRO A 78 -12.251 -21.484 -5.420 1.00 0.00 C ATOM 1128 CD PRO A 78 -12.219 -20.409 -4.358 1.00 0.00 C ATOM 0 HA PRO A 78 -12.593 -23.046 -2.518 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -11.771 -23.583 -5.101 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -13.424 -23.167 -4.693 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -11.339 -21.473 -6.017 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -13.084 -21.333 -6.107 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -11.385 -19.728 -4.529 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -13.130 -19.812 -4.391 1.00 0.00 H new ATOM 1136 N ILE A 79 -10.464 -24.106 -2.262 1.00 0.00 N ATOM 1137 CA ILE A 79 -9.222 -24.790 -1.962 1.00 0.00 C ATOM 1138 C ILE A 79 -8.676 -25.355 -3.273 1.00 0.00 C ATOM 1139 O ILE A 79 -9.443 -25.836 -4.106 1.00 0.00 O ATOM 1140 CB ILE A 79 -9.518 -25.897 -0.934 1.00 0.00 C ATOM 1141 CG1 ILE A 79 -9.984 -25.339 0.424 1.00 0.00 C ATOM 1142 CG2 ILE A 79 -8.320 -26.843 -0.726 1.00 0.00 C ATOM 1143 CD1 ILE A 79 -8.896 -24.662 1.258 1.00 0.00 C ATOM 0 H ILE A 79 -11.286 -24.597 -1.910 1.00 0.00 H new ATOM 0 HA ILE A 79 -8.474 -24.123 -1.533 1.00 0.00 H new ATOM 0 HB ILE A 79 -10.339 -26.472 -1.363 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -10.784 -24.620 0.248 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -10.411 -26.155 1.007 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -8.581 -27.605 0.008 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -8.066 -27.322 -1.672 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -7.464 -26.272 -0.367 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -9.325 -24.304 2.194 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -8.104 -25.379 1.473 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -8.483 -23.820 0.703 1.00 0.00 H new ATOM 1155 N GLY A 80 -7.354 -25.311 -3.433 1.00 0.00 N ATOM 1156 CA GLY A 80 -6.591 -25.933 -4.507 1.00 0.00 C ATOM 1157 C GLY A 80 -6.766 -25.239 -5.855 1.00 0.00 C ATOM 1158 O GLY A 80 -6.151 -25.654 -6.836 1.00 0.00 O ATOM 0 H GLY A 80 -6.755 -24.810 -2.777 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -5.534 -25.931 -4.240 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -6.894 -26.976 -4.601 1.00 0.00 H new ATOM 1162 N SER A 81 -7.601 -24.203 -5.915 1.00 0.00 N ATOM 1163 CA SER A 81 -7.937 -23.480 -7.113 1.00 0.00 C ATOM 1164 C SER A 81 -7.166 -22.171 -7.099 1.00 0.00 C ATOM 1165 O SER A 81 -6.647 -21.751 -6.054 1.00 0.00 O ATOM 1166 CB SER A 81 -9.444 -23.212 -7.115 1.00 0.00 C ATOM 1167 OG SER A 81 -10.209 -24.405 -7.023 1.00 0.00 O ATOM 0 H SER A 81 -8.075 -23.839 -5.088 1.00 0.00 H new ATOM 0 HA SER A 81 -7.678 -24.048 -8.007 1.00 0.00 H new ATOM 0 HB2 SER A 81 -9.695 -22.558 -6.280 1.00 0.00 H new ATOM 0 HB3 SER A 81 -9.714 -22.681 -8.028 1.00 0.00 H new ATOM 0 HG SER A 81 -11.154 -24.201 -7.186 1.00 0.00 H new ATOM 1173 N GLU A 82 -7.110 -21.521 -8.253 1.00 0.00 N ATOM 1174 CA GLU A 82 -6.559 -20.192 -8.358 1.00 0.00 C ATOM 1175 C GLU A 82 -7.461 -19.160 -7.665 1.00 0.00 C ATOM 1176 O GLU A 82 -8.671 -19.326 -7.500 1.00 0.00 O ATOM 1177 CB GLU A 82 -6.310 -19.811 -9.828 1.00 0.00 C ATOM 1178 CG GLU A 82 -4.871 -20.061 -10.285 1.00 0.00 C ATOM 1179 CD GLU A 82 -4.488 -21.513 -10.564 1.00 0.00 C ATOM 1180 OE1 GLU A 82 -5.243 -22.265 -11.213 1.00 0.00 O ATOM 1181 OE2 GLU A 82 -3.297 -21.819 -10.321 1.00 0.00 O ATOM 0 H GLU A 82 -7.446 -21.905 -9.136 1.00 0.00 H new ATOM 0 HA GLU A 82 -5.598 -20.190 -7.844 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -6.989 -20.380 -10.463 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -6.550 -18.757 -9.968 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -4.695 -19.481 -11.191 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -4.198 -19.671 -9.522 1.00 0.00 H new ATOM 1188 N THR A 83 -6.844 -18.074 -7.220 1.00 0.00 N ATOM 1189 CA THR A 83 -7.462 -16.866 -6.705 1.00 0.00 C ATOM 1190 C THR A 83 -6.617 -15.703 -7.250 1.00 0.00 C ATOM 1191 O THR A 83 -5.389 -15.817 -7.342 1.00 0.00 O ATOM 1192 CB THR A 83 -7.466 -16.969 -5.171 1.00 0.00 C ATOM 1193 OG1 THR A 83 -8.223 -18.091 -4.759 1.00 0.00 O ATOM 1194 CG2 THR A 83 -8.057 -15.733 -4.496 1.00 0.00 C ATOM 0 H THR A 83 -5.826 -18.013 -7.210 1.00 0.00 H new ATOM 0 HA THR A 83 -8.497 -16.714 -7.012 1.00 0.00 H new ATOM 0 HB THR A 83 -6.422 -17.063 -4.871 1.00 0.00 H new ATOM 0 HG1 THR A 83 -8.218 -18.148 -3.781 1.00 0.00 H new ATOM 0 HG21 THR A 83 -8.033 -15.863 -3.414 1.00 0.00 H new ATOM 0 HG22 THR A 83 -7.472 -14.855 -4.769 1.00 0.00 H new ATOM 0 HG23 THR A 83 -9.088 -15.598 -4.823 1.00 0.00 H new ATOM 1202 N SER A 84 -7.250 -14.593 -7.636 1.00 0.00 N ATOM 1203 CA SER A 84 -6.598 -13.483 -8.323 1.00 0.00 C ATOM 1204 C SER A 84 -6.608 -12.300 -7.369 1.00 0.00 C ATOM 1205 O SER A 84 -7.687 -11.844 -6.987 1.00 0.00 O ATOM 1206 CB SER A 84 -7.355 -13.160 -9.617 1.00 0.00 C ATOM 1207 OG SER A 84 -7.540 -14.324 -10.400 1.00 0.00 O ATOM 0 H SER A 84 -8.246 -14.441 -7.476 1.00 0.00 H new ATOM 0 HA SER A 84 -5.573 -13.730 -8.599 1.00 0.00 H new ATOM 0 HB2 SER A 84 -8.323 -12.722 -9.376 1.00 0.00 H new ATOM 0 HB3 SER A 84 -6.802 -12.416 -10.190 1.00 0.00 H new ATOM 0 HG SER A 84 -8.026 -14.093 -11.219 1.00 0.00 H new ATOM 1213 N LEU A 85 -5.441 -11.829 -6.934 1.00 0.00 N ATOM 1214 CA LEU A 85 -5.345 -10.705 -6.006 1.00 0.00 C ATOM 1215 C LEU A 85 -4.711 -9.535 -6.730 1.00 0.00 C ATOM 1216 O LEU A 85 -3.896 -9.742 -7.627 1.00 0.00 O ATOM 1217 CB LEU A 85 -4.518 -11.081 -4.762 1.00 0.00 C ATOM 1218 CG LEU A 85 -5.417 -11.457 -3.578 1.00 0.00 C ATOM 1219 CD1 LEU A 85 -6.213 -12.731 -3.863 1.00 0.00 C ATOM 1220 CD2 LEU A 85 -4.606 -11.620 -2.292 1.00 0.00 C ATOM 0 H LEU A 85 -4.539 -12.214 -7.214 1.00 0.00 H new ATOM 0 HA LEU A 85 -6.344 -10.434 -5.663 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -3.861 -11.917 -5.001 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.879 -10.243 -4.483 1.00 0.00 H new ATOM 0 HG LEU A 85 -6.121 -10.637 -3.439 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -6.839 -12.969 -3.003 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -6.843 -12.578 -4.740 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -5.525 -13.556 -4.050 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.273 -11.886 -1.472 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -3.864 -12.407 -2.427 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -4.101 -10.682 -2.059 1.00 0.00 H new ATOM 1232 N ILE A 86 -5.010 -8.313 -6.308 1.00 0.00 N ATOM 1233 CA ILE A 86 -4.503 -7.079 -6.893 1.00 0.00 C ATOM 1234 C ILE A 86 -3.890 -6.287 -5.742 1.00 0.00 C ATOM 1235 O ILE A 86 -4.591 -6.041 -4.753 1.00 0.00 O ATOM 1236 CB ILE A 86 -5.583 -6.293 -7.640 1.00 0.00 C ATOM 1237 CG1 ILE A 86 -6.566 -7.252 -8.351 1.00 0.00 C ATOM 1238 CG2 ILE A 86 -4.902 -5.349 -8.643 1.00 0.00 C ATOM 1239 CD1 ILE A 86 -7.476 -6.544 -9.335 1.00 0.00 C ATOM 0 H ILE A 86 -5.636 -8.148 -5.519 1.00 0.00 H new ATOM 0 HA ILE A 86 -3.756 -7.292 -7.658 1.00 0.00 H new ATOM 0 HB ILE A 86 -6.165 -5.704 -6.932 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -5.999 -8.020 -8.877 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -7.174 -7.760 -7.603 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -5.661 -4.782 -9.183 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -4.247 -4.661 -8.108 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -4.314 -5.933 -9.351 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -8.142 -7.270 -9.801 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -8.067 -5.794 -8.809 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -6.874 -6.058 -10.103 1.00 0.00 H new ATOM 1251 N ILE A 87 -2.603 -5.943 -5.846 1.00 0.00 N ATOM 1252 CA ILE A 87 -1.858 -5.264 -4.790 1.00 0.00 C ATOM 1253 C ILE A 87 -1.356 -3.905 -5.270 1.00 0.00 C ATOM 1254 O ILE A 87 -1.346 -3.619 -6.474 1.00 0.00 O ATOM 1255 CB ILE A 87 -0.738 -6.159 -4.197 1.00 0.00 C ATOM 1256 CG1 ILE A 87 0.382 -6.546 -5.195 1.00 0.00 C ATOM 1257 CG2 ILE A 87 -1.360 -7.406 -3.542 1.00 0.00 C ATOM 1258 CD1 ILE A 87 1.441 -5.454 -5.400 1.00 0.00 C ATOM 0 H ILE A 87 -2.045 -6.132 -6.678 1.00 0.00 H new ATOM 0 HA ILE A 87 -2.541 -5.073 -3.962 1.00 0.00 H new ATOM 0 HB ILE A 87 -0.233 -5.554 -3.444 1.00 0.00 H new ATOM 0 HG12 ILE A 87 0.873 -7.452 -4.840 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -0.070 -6.785 -6.158 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -0.570 -8.032 -3.127 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -2.036 -7.099 -2.744 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -1.915 -7.972 -4.290 1.00 0.00 H new ATOM 0 HD11 ILE A 87 2.189 -5.802 -6.112 1.00 0.00 H new ATOM 0 HD12 ILE A 87 0.964 -4.553 -5.786 1.00 0.00 H new ATOM 0 HD13 ILE A 87 1.922 -5.231 -4.448 1.00 0.00 H new ATOM 1270 N HIS A 88 -0.955 -3.060 -4.319 1.00 0.00 N ATOM 1271 CA HIS A 88 -0.492 -1.712 -4.592 1.00 0.00 C ATOM 1272 C HIS A 88 0.984 -1.704 -4.968 1.00 0.00 C ATOM 1273 O HIS A 88 1.825 -2.195 -4.210 1.00 0.00 O ATOM 1274 CB HIS A 88 -0.792 -0.798 -3.406 1.00 0.00 C ATOM 1275 CG HIS A 88 -1.067 0.612 -3.834 1.00 0.00 C ATOM 1276 ND1 HIS A 88 -0.129 1.600 -4.025 1.00 0.00 N ATOM 1277 CD2 HIS A 88 -2.294 1.117 -4.173 1.00 0.00 C ATOM 1278 CE1 HIS A 88 -0.774 2.670 -4.506 1.00 0.00 C ATOM 1279 NE2 HIS A 88 -2.094 2.431 -4.597 1.00 0.00 N ATOM 0 H HIS A 88 -0.945 -3.302 -3.328 1.00 0.00 H new ATOM 0 HA HIS A 88 -1.036 -1.322 -5.453 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -1.652 -1.185 -2.860 1.00 0.00 H new ATOM 0 HB3 HIS A 88 0.053 -0.809 -2.718 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -3.239 0.596 -4.122 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -0.299 3.599 -4.783 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -2.810 3.084 -4.915 1.00 0.00 H new ATOM 1287 N ARG A 89 1.305 -1.149 -6.137 1.00 0.00 N ATOM 1288 CA ARG A 89 2.661 -0.976 -6.637 1.00 0.00 C ATOM 1289 C ARG A 89 2.673 0.215 -7.612 1.00 0.00 C ATOM 1290 O ARG A 89 1.607 0.773 -7.894 1.00 0.00 O ATOM 1291 CB ARG A 89 3.092 -2.300 -7.303 1.00 0.00 C ATOM 1292 CG ARG A 89 4.596 -2.558 -7.271 1.00 0.00 C ATOM 1293 CD ARG A 89 4.965 -3.169 -5.915 1.00 0.00 C ATOM 1294 NE ARG A 89 6.390 -3.003 -5.687 1.00 0.00 N ATOM 1295 CZ ARG A 89 7.062 -3.315 -4.582 1.00 0.00 C ATOM 1296 NH1 ARG A 89 6.535 -4.075 -3.624 1.00 0.00 N ATOM 1297 NH2 ARG A 89 8.282 -2.827 -4.463 1.00 0.00 N ATOM 0 H ARG A 89 0.599 -0.796 -6.782 1.00 0.00 H new ATOM 0 HA ARG A 89 3.372 -0.752 -5.841 1.00 0.00 H new ATOM 0 HB2 ARG A 89 2.583 -3.126 -6.806 1.00 0.00 H new ATOM 0 HB3 ARG A 89 2.758 -2.297 -8.340 1.00 0.00 H new ATOM 0 HG2 ARG A 89 4.880 -3.233 -8.079 1.00 0.00 H new ATOM 0 HG3 ARG A 89 5.142 -1.627 -7.426 1.00 0.00 H new ATOM 0 HD2 ARG A 89 4.399 -2.686 -5.119 1.00 0.00 H new ATOM 0 HD3 ARG A 89 4.703 -4.227 -5.896 1.00 0.00 H new ATOM 0 HE ARG A 89 6.932 -2.606 -6.454 1.00 0.00 H new ATOM 0 HH11 ARG A 89 5.587 -4.438 -3.724 1.00 0.00 H new ATOM 0 HH12 ARG A 89 7.079 -4.294 -2.790 1.00 0.00 H new ATOM 0 HH21 ARG A 89 8.670 -2.239 -5.200 1.00 0.00 H new ATOM 0 HH22 ARG A 89 8.837 -3.038 -3.634 1.00 0.00 H new ATOM 1311 N GLY A 90 3.860 0.581 -8.104 1.00 0.00 N ATOM 1312 CA GLY A 90 4.095 1.512 -9.198 1.00 0.00 C ATOM 1313 C GLY A 90 3.556 2.912 -8.937 1.00 0.00 C ATOM 1314 O GLY A 90 2.478 3.247 -9.430 1.00 0.00 O ATOM 0 H GLY A 90 4.730 0.210 -7.723 1.00 0.00 H new ATOM 0 HA2 GLY A 90 5.167 1.574 -9.386 1.00 0.00 H new ATOM 0 HA3 GLY A 90 3.634 1.118 -10.104 1.00 0.00 H new ATOM 1318 N SER A 91 4.305 3.747 -8.210 1.00 0.00 N ATOM 1319 CA SER A 91 4.011 5.172 -8.125 1.00 0.00 C ATOM 1320 C SER A 91 4.252 5.851 -9.476 1.00 0.00 C ATOM 1321 O SER A 91 3.338 6.493 -9.993 1.00 0.00 O ATOM 1322 CB SER A 91 4.829 5.849 -7.018 1.00 0.00 C ATOM 1323 OG SER A 91 4.221 5.669 -5.742 1.00 0.00 O ATOM 0 H SER A 91 5.121 3.455 -7.672 1.00 0.00 H new ATOM 0 HA SER A 91 2.958 5.282 -7.867 1.00 0.00 H new ATOM 0 HB2 SER A 91 5.838 5.436 -7.004 1.00 0.00 H new ATOM 0 HB3 SER A 91 4.923 6.914 -7.232 1.00 0.00 H new ATOM 0 HG SER A 91 4.765 6.109 -5.056 1.00 0.00 H new ATOM 1329 N GLY A 92 5.433 5.718 -10.081 1.00 0.00 N ATOM 1330 CA GLY A 92 5.767 6.394 -11.329 1.00 0.00 C ATOM 1331 C GLY A 92 6.878 5.669 -12.087 1.00 0.00 C ATOM 1332 O GLY A 92 7.568 4.826 -11.512 1.00 0.00 O ATOM 0 H GLY A 92 6.186 5.135 -9.715 1.00 0.00 H new ATOM 0 HA2 GLY A 92 4.879 6.456 -11.958 1.00 0.00 H new ATOM 0 HA3 GLY A 92 6.079 7.416 -11.116 1.00 0.00 H new ATOM 1336 N PRO A 93 7.065 5.970 -13.380 1.00 0.00 N ATOM 1337 CA PRO A 93 8.049 5.287 -14.202 1.00 0.00 C ATOM 1338 C PRO A 93 9.454 5.803 -13.902 1.00 0.00 C ATOM 1339 O PRO A 93 9.690 7.014 -13.960 1.00 0.00 O ATOM 1340 CB PRO A 93 7.631 5.581 -15.640 1.00 0.00 C ATOM 1341 CG PRO A 93 6.938 6.941 -15.550 1.00 0.00 C ATOM 1342 CD PRO A 93 6.288 6.915 -14.168 1.00 0.00 C ATOM 0 HA PRO A 93 8.082 4.215 -14.009 1.00 0.00 H new ATOM 0 HB2 PRO A 93 8.492 5.615 -16.308 1.00 0.00 H new ATOM 0 HB3 PRO A 93 6.959 4.815 -16.025 1.00 0.00 H new ATOM 0 HG2 PRO A 93 7.649 7.762 -15.644 1.00 0.00 H new ATOM 0 HG3 PRO A 93 6.198 7.068 -16.340 1.00 0.00 H new ATOM 0 HD2 PRO A 93 6.299 7.905 -13.713 1.00 0.00 H new ATOM 0 HD3 PRO A 93 5.245 6.605 -14.233 1.00 0.00 H new ATOM 1350 N SER A 94 10.396 4.905 -13.623 1.00 0.00 N ATOM 1351 CA SER A 94 11.812 5.220 -13.573 1.00 0.00 C ATOM 1352 C SER A 94 12.606 3.922 -13.555 1.00 0.00 C ATOM 1353 O SER A 94 12.485 3.162 -12.592 1.00 0.00 O ATOM 1354 CB SER A 94 12.148 6.070 -12.333 1.00 0.00 C ATOM 1355 OG SER A 94 12.463 7.391 -12.733 1.00 0.00 O ATOM 0 H SER A 94 10.189 3.926 -13.423 1.00 0.00 H new ATOM 0 HA SER A 94 12.077 5.804 -14.454 1.00 0.00 H new ATOM 0 HB2 SER A 94 11.302 6.079 -11.646 1.00 0.00 H new ATOM 0 HB3 SER A 94 12.989 5.632 -11.796 1.00 0.00 H new ATOM 0 HG SER A 94 11.737 7.747 -13.287 1.00 0.00 H new ATOM 1361 N SER A 95 13.435 3.718 -14.585 1.00 0.00 N ATOM 1362 CA SER A 95 14.435 2.654 -14.670 1.00 0.00 C ATOM 1363 C SER A 95 13.857 1.284 -14.264 1.00 0.00 C ATOM 1364 O SER A 95 14.438 0.563 -13.445 1.00 0.00 O ATOM 1365 CB SER A 95 15.671 3.068 -13.846 1.00 0.00 C ATOM 1366 OG SER A 95 16.135 4.371 -14.218 1.00 0.00 O ATOM 0 H SER A 95 13.425 4.314 -15.413 1.00 0.00 H new ATOM 0 HA SER A 95 14.746 2.524 -15.706 1.00 0.00 H new ATOM 0 HB2 SER A 95 15.423 3.058 -12.785 1.00 0.00 H new ATOM 0 HB3 SER A 95 16.469 2.340 -13.994 1.00 0.00 H new ATOM 0 HG SER A 95 16.918 4.606 -13.677 1.00 0.00 H new ATOM 1372 N GLY A 96 12.689 0.936 -14.815 1.00 0.00 N ATOM 1373 CA GLY A 96 11.981 -0.290 -14.494 1.00 0.00 C ATOM 1374 C GLY A 96 10.939 -0.560 -15.549 1.00 0.00 C ATOM 1375 O GLY A 96 10.206 0.391 -15.905 1.00 0.00 O ATOM 0 H GLY A 96 12.209 1.513 -15.506 1.00 0.00 H new ATOM 0 HA2 GLY A 96 12.682 -1.123 -14.438 1.00 0.00 H new ATOM 0 HA3 GLY A 96 11.509 -0.204 -13.515 1.00 0.00 H new TER 1379 GLY A 96