USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 615 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: X 10 TYR OH : rot 175:sc= 1.08 USER MOD Set 1.2: X 40 HIS : no HE2:sc= -0.867 K(o=0.21,f=-5.9!) USER MOD Single : X 4 LYS NZ :NH3+ -161:sc= 1.19 (180deg=1.1) USER MOD Single : X 5 ASN : amide:sc= -1.14 K(o=-1.1,f=-0.024) USER MOD Single : X 6 SER OG : rot 180:sc= 0 USER MOD Single : X 8 SER OG : rot -40:sc= 0.458 USER MOD Single : X 11 THR OG1 : rot 109:sc= 0.469 USER MOD Single : X 17 GLN : amide:sc=-0.00585 X(o=-0.0059,f=-0.0059) USER MOD Single : X 20 LYS NZ :NH3+ -178:sc= 0.798 (180deg=0.796) USER MOD Single : X 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : X 30 THR OG1 : rot 117:sc= -2.25! USER MOD Single : X 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 45 THR OG1 : rot -101:sc= 0.777 USER MOD Single : X 47 HIS : no HD1:sc= -2.18 K(o=-2.2,f=-4.2!) USER MOD Single : X 51 THR OG1 : rot 180:sc= 0 USER MOD Single : X 55 TYR OH : rot 180:sc= 0 USER MOD Single : X 77 LYS NZ :NH3+ 177:sc= 1.03 (180deg=1.02) USER MOD Single : X 80 LYS NZ :NH3+ 166:sc= -0.0172 (180deg=-0.199) USER MOD Single : X 86 ASN : amide:sc= -2.67 K(o=-2.7,f=-5.6!) USER MOD Single : X 88 LYS NZ :NH3+ -173:sc=-0.00128 (180deg=-0.0767) USER MOD Single : X 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 93 GLN : amide:sc= -0.0882 X(o=-0.088,f=-0.21) USER MOD ----------------------------------------------------------------- ATOM 16 N LEU X 3 60.588 5.323 5.507 1.00 0.00 N ATOM 17 CA LEU X 3 61.810 5.905 5.037 1.00 0.00 C ATOM 18 C LEU X 3 62.176 7.114 5.871 1.00 0.00 C ATOM 19 O LEU X 3 61.302 7.788 6.429 1.00 0.00 O ATOM 20 CB LEU X 3 61.684 6.310 3.568 1.00 0.00 C ATOM 21 CG LEU X 3 61.220 5.221 2.597 1.00 0.00 C ATOM 22 CD1 LEU X 3 61.238 5.726 1.166 1.00 0.00 C ATOM 23 CD2 LEU X 3 62.060 3.968 2.743 1.00 0.00 C ATOM 0 HA LEU X 3 62.598 5.158 5.130 1.00 0.00 H new ATOM 0 HB2 LEU X 3 60.986 7.145 3.503 1.00 0.00 H new ATOM 0 HB3 LEU X 3 62.653 6.677 3.231 1.00 0.00 H new ATOM 0 HG LEU X 3 60.191 4.964 2.848 1.00 0.00 H new ATOM 0 HD11 LEU X 3 60.904 4.933 0.496 1.00 0.00 H new ATOM 0 HD12 LEU X 3 60.571 6.583 1.074 1.00 0.00 H new ATOM 0 HD13 LEU X 3 62.252 6.024 0.898 1.00 0.00 H new ATOM 0 HD21 LEU X 3 61.709 3.211 2.042 1.00 0.00 H new ATOM 0 HD22 LEU X 3 63.103 4.203 2.531 1.00 0.00 H new ATOM 0 HD23 LEU X 3 61.973 3.588 3.761 1.00 0.00 H new ATOM 35 N LYS X 4 63.457 7.342 6.011 1.00 0.00 N ATOM 36 CA LYS X 4 63.971 8.479 6.748 1.00 0.00 C ATOM 37 C LYS X 4 64.361 9.568 5.739 1.00 0.00 C ATOM 38 O LYS X 4 63.867 9.577 4.617 1.00 0.00 O ATOM 39 CB LYS X 4 65.229 8.076 7.563 1.00 0.00 C ATOM 40 CG LYS X 4 65.173 6.773 8.346 1.00 0.00 C ATOM 41 CD LYS X 4 63.871 6.520 8.990 1.00 0.00 C ATOM 42 CE LYS X 4 64.001 5.399 9.978 1.00 0.00 C ATOM 43 NZ LYS X 4 62.717 4.710 10.214 1.00 0.00 N ATOM 0 H LYS X 4 64.182 6.743 5.616 1.00 0.00 H new ATOM 0 HA LYS X 4 63.207 8.839 7.437 1.00 0.00 H new ATOM 0 HB2 LYS X 4 66.071 8.018 6.874 1.00 0.00 H new ATOM 0 HB3 LYS X 4 65.447 8.881 8.265 1.00 0.00 H new ATOM 0 HG2 LYS X 4 65.402 5.946 7.674 1.00 0.00 H new ATOM 0 HG3 LYS X 4 65.949 6.786 9.111 1.00 0.00 H new ATOM 0 HD2 LYS X 4 63.523 7.422 9.493 1.00 0.00 H new ATOM 0 HD3 LYS X 4 63.125 6.268 8.236 1.00 0.00 H new ATOM 0 HE2 LYS X 4 64.735 4.680 9.614 1.00 0.00 H new ATOM 0 HE3 LYS X 4 64.379 5.791 10.922 1.00 0.00 H new ATOM 0 HZ1 LYS X 4 62.767 4.179 11.107 1.00 0.00 H new ATOM 0 HZ2 LYS X 4 61.952 5.412 10.271 1.00 0.00 H new ATOM 0 HZ3 LYS X 4 62.526 4.053 9.431 1.00 0.00 H new ATOM 57 N ASN X 5 65.199 10.505 6.143 1.00 0.00 N ATOM 58 CA ASN X 5 65.722 11.506 5.203 1.00 0.00 C ATOM 59 C ASN X 5 67.230 11.397 5.082 1.00 0.00 C ATOM 60 O ASN X 5 67.817 11.864 4.111 1.00 0.00 O ATOM 61 CB ASN X 5 65.321 12.948 5.571 1.00 0.00 C ATOM 62 CG ASN X 5 63.829 13.227 5.439 1.00 0.00 C ATOM 63 OD1 ASN X 5 63.261 14.031 6.193 1.00 0.00 O ATOM 64 ND2 ASN X 5 63.184 12.607 4.481 1.00 0.00 N ATOM 0 H ASN X 5 65.535 10.602 7.101 1.00 0.00 H new ATOM 0 HA ASN X 5 65.265 11.286 4.238 1.00 0.00 H new ATOM 0 HB2 ASN X 5 65.629 13.150 6.597 1.00 0.00 H new ATOM 0 HB3 ASN X 5 65.868 13.641 4.932 1.00 0.00 H new ATOM 0 HD21 ASN X 5 62.189 12.781 4.341 1.00 0.00 H new ATOM 0 HD22 ASN X 5 63.677 11.951 3.876 1.00 0.00 H new ATOM 71 N SER X 6 67.856 10.772 6.062 1.00 0.00 N ATOM 72 CA SER X 6 69.280 10.582 6.036 1.00 0.00 C ATOM 73 C SER X 6 69.626 9.159 6.454 1.00 0.00 C ATOM 74 O SER X 6 68.819 8.487 7.120 1.00 0.00 O ATOM 75 CB SER X 6 69.977 11.589 6.954 1.00 0.00 C ATOM 76 OG SER X 6 69.557 11.438 8.312 1.00 0.00 O ATOM 0 H SER X 6 67.392 10.389 6.885 1.00 0.00 H new ATOM 0 HA SER X 6 69.632 10.747 5.018 1.00 0.00 H new ATOM 0 HB2 SER X 6 71.057 11.455 6.889 1.00 0.00 H new ATOM 0 HB3 SER X 6 69.760 12.602 6.616 1.00 0.00 H new ATOM 0 HG SER X 6 70.021 12.094 8.873 1.00 0.00 H new ATOM 82 N ILE X 7 70.832 8.726 6.106 1.00 0.00 N ATOM 83 CA ILE X 7 71.331 7.381 6.411 1.00 0.00 C ATOM 84 C ILE X 7 71.495 7.204 7.937 1.00 0.00 C ATOM 85 O ILE X 7 71.441 6.103 8.464 1.00 0.00 O ATOM 86 CB ILE X 7 72.714 7.147 5.692 1.00 0.00 C ATOM 87 CG1 ILE X 7 73.164 5.672 5.755 1.00 0.00 C ATOM 88 CG2 ILE X 7 73.806 8.072 6.253 1.00 0.00 C ATOM 89 CD1 ILE X 7 74.499 5.402 5.092 1.00 0.00 C ATOM 0 H ILE X 7 71.503 9.302 5.598 1.00 0.00 H new ATOM 0 HA ILE X 7 70.610 6.648 6.048 1.00 0.00 H new ATOM 0 HB ILE X 7 72.562 7.397 4.642 1.00 0.00 H new ATOM 0 HG12 ILE X 7 73.221 5.365 6.799 1.00 0.00 H new ATOM 0 HG13 ILE X 7 72.403 5.051 5.281 1.00 0.00 H new ATOM 0 HG21 ILE X 7 74.745 7.883 5.734 1.00 0.00 H new ATOM 0 HG22 ILE X 7 73.513 9.112 6.106 1.00 0.00 H new ATOM 0 HG23 ILE X 7 73.935 7.879 7.318 1.00 0.00 H new ATOM 0 HD11 ILE X 7 74.742 4.343 5.181 1.00 0.00 H new ATOM 0 HD12 ILE X 7 74.444 5.675 4.038 1.00 0.00 H new ATOM 0 HD13 ILE X 7 75.274 5.994 5.580 1.00 0.00 H new ATOM 101 N SER X 8 71.616 8.313 8.632 1.00 0.00 N ATOM 102 CA SER X 8 71.892 8.306 10.037 1.00 0.00 C ATOM 103 C SER X 8 70.624 8.176 10.904 1.00 0.00 C ATOM 104 O SER X 8 70.712 8.110 12.124 1.00 0.00 O ATOM 105 CB SER X 8 72.716 9.542 10.377 1.00 0.00 C ATOM 106 OG SER X 8 73.889 9.572 9.555 1.00 0.00 O ATOM 0 H SER X 8 71.524 9.246 8.229 1.00 0.00 H new ATOM 0 HA SER X 8 72.471 7.414 10.276 1.00 0.00 H new ATOM 0 HB2 SER X 8 72.124 10.443 10.218 1.00 0.00 H new ATOM 0 HB3 SER X 8 72.997 9.527 11.430 1.00 0.00 H new ATOM 0 HG SER X 8 74.253 8.666 9.471 1.00 0.00 H new ATOM 112 N ASP X 9 69.446 8.123 10.281 1.00 0.00 N ATOM 113 CA ASP X 9 68.202 7.871 11.049 1.00 0.00 C ATOM 114 C ASP X 9 67.828 6.418 10.847 1.00 0.00 C ATOM 115 O ASP X 9 66.863 5.893 11.409 1.00 0.00 O ATOM 116 CB ASP X 9 67.040 8.756 10.581 1.00 0.00 C ATOM 117 CG ASP X 9 65.822 8.724 11.505 1.00 0.00 C ATOM 118 OD1 ASP X 9 65.984 8.698 12.747 1.00 0.00 O ATOM 119 OD2 ASP X 9 64.686 8.751 11.011 1.00 0.00 O ATOM 0 H ASP X 9 69.316 8.246 9.277 1.00 0.00 H new ATOM 0 HA ASP X 9 68.384 8.105 12.098 1.00 0.00 H new ATOM 0 HB2 ASP X 9 67.392 9.784 10.496 1.00 0.00 H new ATOM 0 HB3 ASP X 9 66.735 8.440 9.584 1.00 0.00 H new ATOM 124 N TYR X 10 68.642 5.763 10.084 1.00 0.00 N ATOM 125 CA TYR X 10 68.437 4.401 9.720 1.00 0.00 C ATOM 126 C TYR X 10 69.327 3.558 10.557 1.00 0.00 C ATOM 127 O TYR X 10 70.522 3.811 10.611 1.00 0.00 O ATOM 128 CB TYR X 10 68.815 4.132 8.241 1.00 0.00 C ATOM 129 CG TYR X 10 67.759 4.434 7.206 1.00 0.00 C ATOM 130 CD1 TYR X 10 66.754 3.520 6.957 1.00 0.00 C ATOM 131 CD2 TYR X 10 67.776 5.601 6.461 1.00 0.00 C ATOM 132 CE1 TYR X 10 65.784 3.753 6.014 1.00 0.00 C ATOM 133 CE2 TYR X 10 66.806 5.844 5.505 1.00 0.00 C ATOM 134 CZ TYR X 10 65.814 4.912 5.292 1.00 0.00 C ATOM 135 OH TYR X 10 64.827 5.161 4.392 1.00 0.00 O ATOM 0 H TYR X 10 69.488 6.172 9.688 1.00 0.00 H new ATOM 0 HA TYR X 10 67.381 4.172 9.864 1.00 0.00 H new ATOM 0 HB2 TYR X 10 69.702 4.720 8.004 1.00 0.00 H new ATOM 0 HB3 TYR X 10 69.094 3.083 8.146 1.00 0.00 H new ATOM 0 HD1 TYR X 10 66.731 2.598 7.519 1.00 0.00 H new ATOM 0 HD2 TYR X 10 68.555 6.330 6.628 1.00 0.00 H new ATOM 0 HE1 TYR X 10 65.004 3.026 5.844 1.00 0.00 H new ATOM 0 HE2 TYR X 10 66.826 6.758 4.930 1.00 0.00 H new ATOM 0 HH TYR X 10 64.944 6.059 4.018 1.00 0.00 H new ATOM 145 N THR X 11 68.775 2.619 11.269 1.00 0.00 N ATOM 146 CA THR X 11 69.601 1.637 11.892 1.00 0.00 C ATOM 147 C THR X 11 69.966 0.680 10.781 1.00 0.00 C ATOM 148 O THR X 11 69.417 0.788 9.658 1.00 0.00 O ATOM 149 CB THR X 11 68.859 0.839 13.011 1.00 0.00 C ATOM 150 OG1 THR X 11 67.789 0.088 12.451 1.00 0.00 O ATOM 151 CG2 THR X 11 68.303 1.753 14.091 1.00 0.00 C ATOM 0 H THR X 11 67.773 2.516 11.429 1.00 0.00 H new ATOM 0 HA THR X 11 70.455 2.116 12.371 1.00 0.00 H new ATOM 0 HB THR X 11 69.592 0.173 13.467 1.00 0.00 H new ATOM 0 HG1 THR X 11 68.014 -0.866 12.469 1.00 0.00 H new ATOM 0 HG21 THR X 11 67.796 1.155 14.848 1.00 0.00 H new ATOM 0 HG22 THR X 11 69.119 2.308 14.554 1.00 0.00 H new ATOM 0 HG23 THR X 11 67.595 2.453 13.647 1.00 0.00 H new ATOM 159 N GLU X 12 70.843 -0.227 11.044 1.00 0.00 N ATOM 160 CA GLU X 12 71.178 -1.222 10.069 1.00 0.00 C ATOM 161 C GLU X 12 69.913 -2.002 9.604 1.00 0.00 C ATOM 162 O GLU X 12 69.667 -2.126 8.408 1.00 0.00 O ATOM 163 CB GLU X 12 72.319 -2.104 10.587 1.00 0.00 C ATOM 164 CG GLU X 12 72.173 -2.543 12.042 1.00 0.00 C ATOM 165 CD GLU X 12 73.359 -3.322 12.556 1.00 0.00 C ATOM 166 OE1 GLU X 12 73.781 -4.312 11.913 1.00 0.00 O ATOM 167 OE2 GLU X 12 73.905 -2.955 13.629 1.00 0.00 O ATOM 0 H GLU X 12 71.346 -0.305 11.928 1.00 0.00 H new ATOM 0 HA GLU X 12 71.556 -0.743 9.166 1.00 0.00 H new ATOM 0 HB2 GLU X 12 72.388 -2.992 9.959 1.00 0.00 H new ATOM 0 HB3 GLU X 12 73.258 -1.562 10.477 1.00 0.00 H new ATOM 0 HG2 GLU X 12 72.029 -1.662 12.667 1.00 0.00 H new ATOM 0 HG3 GLU X 12 71.276 -3.154 12.141 1.00 0.00 H new ATOM 174 N ALA X 13 69.065 -2.407 10.549 1.00 0.00 N ATOM 175 CA ALA X 13 67.804 -3.093 10.216 1.00 0.00 C ATOM 176 C ALA X 13 66.780 -2.140 9.561 1.00 0.00 C ATOM 177 O ALA X 13 66.036 -2.547 8.672 1.00 0.00 O ATOM 178 CB ALA X 13 67.204 -3.781 11.424 1.00 0.00 C ATOM 0 H ALA X 13 69.222 -2.276 11.548 1.00 0.00 H new ATOM 0 HA ALA X 13 68.053 -3.861 9.483 1.00 0.00 H new ATOM 0 HB1 ALA X 13 66.276 -4.275 11.138 1.00 0.00 H new ATOM 0 HB2 ALA X 13 67.906 -4.522 11.807 1.00 0.00 H new ATOM 0 HB3 ALA X 13 66.998 -3.042 12.198 1.00 0.00 H new ATOM 184 N GLU X 14 66.716 -0.885 10.021 1.00 0.00 N ATOM 185 CA GLU X 14 65.826 0.130 9.397 1.00 0.00 C ATOM 186 C GLU X 14 66.160 0.289 7.943 1.00 0.00 C ATOM 187 O GLU X 14 65.279 0.501 7.098 1.00 0.00 O ATOM 188 CB GLU X 14 65.977 1.488 10.087 1.00 0.00 C ATOM 189 CG GLU X 14 65.305 1.579 11.441 1.00 0.00 C ATOM 190 CD GLU X 14 63.802 1.709 11.359 1.00 0.00 C ATOM 191 OE1 GLU X 14 63.126 0.851 10.764 1.00 0.00 O ATOM 192 OE2 GLU X 14 63.275 2.726 11.853 1.00 0.00 O ATOM 0 H GLU X 14 67.259 -0.540 10.813 1.00 0.00 H new ATOM 0 HA GLU X 14 64.799 -0.217 9.507 1.00 0.00 H new ATOM 0 HB2 GLU X 14 67.038 1.705 10.206 1.00 0.00 H new ATOM 0 HB3 GLU X 14 65.564 2.260 9.437 1.00 0.00 H new ATOM 0 HG2 GLU X 14 65.554 0.691 12.022 1.00 0.00 H new ATOM 0 HG3 GLU X 14 65.707 2.436 11.981 1.00 0.00 H new ATOM 199 N PHE X 15 67.425 0.187 7.653 1.00 0.00 N ATOM 200 CA PHE X 15 67.893 0.326 6.328 1.00 0.00 C ATOM 201 C PHE X 15 67.579 -0.927 5.536 1.00 0.00 C ATOM 202 O PHE X 15 67.166 -0.833 4.387 1.00 0.00 O ATOM 203 CB PHE X 15 69.373 0.624 6.326 1.00 0.00 C ATOM 204 CG PHE X 15 69.883 1.143 5.028 1.00 0.00 C ATOM 205 CD1 PHE X 15 69.531 2.404 4.592 1.00 0.00 C ATOM 206 CD2 PHE X 15 70.721 0.388 4.255 1.00 0.00 C ATOM 207 CE1 PHE X 15 70.017 2.891 3.406 1.00 0.00 C ATOM 208 CE2 PHE X 15 71.212 0.870 3.072 1.00 0.00 C ATOM 209 CZ PHE X 15 70.857 2.124 2.650 1.00 0.00 C ATOM 0 H PHE X 15 68.155 0.004 8.342 1.00 0.00 H new ATOM 0 HA PHE X 15 67.385 1.164 5.851 1.00 0.00 H new ATOM 0 HB2 PHE X 15 69.588 1.353 7.107 1.00 0.00 H new ATOM 0 HB3 PHE X 15 69.917 -0.285 6.581 1.00 0.00 H new ATOM 0 HD1 PHE X 15 68.868 3.012 5.189 1.00 0.00 H new ATOM 0 HD2 PHE X 15 70.999 -0.603 4.583 1.00 0.00 H new ATOM 0 HE1 PHE X 15 69.736 3.878 3.071 1.00 0.00 H new ATOM 0 HE2 PHE X 15 71.877 0.264 2.474 1.00 0.00 H new ATOM 0 HZ PHE X 15 71.242 2.507 1.717 1.00 0.00 H new ATOM 219 N VAL X 16 67.745 -2.112 6.156 1.00 0.00 N ATOM 220 CA VAL X 16 67.430 -3.356 5.461 1.00 0.00 C ATOM 221 C VAL X 16 65.944 -3.423 5.108 1.00 0.00 C ATOM 222 O VAL X 16 65.578 -4.033 4.132 1.00 0.00 O ATOM 223 CB VAL X 16 67.877 -4.673 6.181 1.00 0.00 C ATOM 224 CG1 VAL X 16 69.287 -4.627 6.657 1.00 0.00 C ATOM 225 CG2 VAL X 16 66.930 -5.138 7.239 1.00 0.00 C ATOM 0 H VAL X 16 68.086 -2.225 7.111 1.00 0.00 H new ATOM 0 HA VAL X 16 68.035 -3.314 4.555 1.00 0.00 H new ATOM 0 HB VAL X 16 67.839 -5.438 5.406 1.00 0.00 H new ATOM 0 HG11 VAL X 16 69.536 -5.568 7.147 1.00 0.00 H new ATOM 0 HG12 VAL X 16 69.953 -4.472 5.808 1.00 0.00 H new ATOM 0 HG13 VAL X 16 69.405 -3.807 7.365 1.00 0.00 H new ATOM 0 HG21 VAL X 16 67.310 -6.055 7.690 1.00 0.00 H new ATOM 0 HG22 VAL X 16 66.835 -4.369 8.005 1.00 0.00 H new ATOM 0 HG23 VAL X 16 65.954 -5.330 6.794 1.00 0.00 H new ATOM 235 N GLN X 17 65.110 -2.771 5.916 1.00 0.00 N ATOM 236 CA GLN X 17 63.688 -2.656 5.682 1.00 0.00 C ATOM 237 C GLN X 17 63.481 -2.002 4.311 1.00 0.00 C ATOM 238 O GLN X 17 62.768 -2.546 3.466 1.00 0.00 O ATOM 239 CB GLN X 17 63.112 -1.830 6.849 1.00 0.00 C ATOM 240 CG GLN X 17 61.601 -1.751 7.008 1.00 0.00 C ATOM 241 CD GLN X 17 60.902 -0.747 6.097 1.00 0.00 C ATOM 242 OE1 GLN X 17 60.782 0.430 6.440 1.00 0.00 O ATOM 243 NE2 GLN X 17 60.366 -1.195 5.004 1.00 0.00 N ATOM 0 H GLN X 17 65.419 -2.301 6.767 1.00 0.00 H new ATOM 0 HA GLN X 17 63.172 -3.616 5.655 1.00 0.00 H new ATOM 0 HB2 GLN X 17 63.522 -2.234 7.775 1.00 0.00 H new ATOM 0 HB3 GLN X 17 63.488 -0.812 6.752 1.00 0.00 H new ATOM 0 HG2 GLN X 17 61.180 -2.739 6.823 1.00 0.00 H new ATOM 0 HG3 GLN X 17 61.374 -1.497 8.043 1.00 0.00 H new ATOM 0 HE21 GLN X 17 60.481 -2.175 4.744 1.00 0.00 H new ATOM 0 HE22 GLN X 17 59.829 -0.568 4.405 1.00 0.00 H new ATOM 252 N LEU X 18 64.183 -0.897 4.076 1.00 0.00 N ATOM 253 CA LEU X 18 64.163 -0.205 2.779 1.00 0.00 C ATOM 254 C LEU X 18 64.691 -1.101 1.691 1.00 0.00 C ATOM 255 O LEU X 18 64.089 -1.245 0.649 1.00 0.00 O ATOM 256 CB LEU X 18 65.045 1.039 2.839 1.00 0.00 C ATOM 257 CG LEU X 18 65.442 1.664 1.482 1.00 0.00 C ATOM 258 CD1 LEU X 18 64.252 2.187 0.701 1.00 0.00 C ATOM 259 CD2 LEU X 18 66.486 2.733 1.660 1.00 0.00 C ATOM 0 H LEU X 18 64.781 -0.453 4.773 1.00 0.00 H new ATOM 0 HA LEU X 18 63.131 0.070 2.561 1.00 0.00 H new ATOM 0 HB2 LEU X 18 64.527 1.797 3.426 1.00 0.00 H new ATOM 0 HB3 LEU X 18 65.957 0.786 3.379 1.00 0.00 H new ATOM 0 HG LEU X 18 65.872 0.859 0.887 1.00 0.00 H new ATOM 0 HD11 LEU X 18 64.595 2.614 -0.242 1.00 0.00 H new ATOM 0 HD12 LEU X 18 63.561 1.368 0.499 1.00 0.00 H new ATOM 0 HD13 LEU X 18 63.744 2.955 1.283 1.00 0.00 H new ATOM 0 HD21 LEU X 18 66.745 3.154 0.689 1.00 0.00 H new ATOM 0 HD22 LEU X 18 66.094 3.520 2.304 1.00 0.00 H new ATOM 0 HD23 LEU X 18 67.376 2.300 2.117 1.00 0.00 H new ATOM 271 N LEU X 19 65.787 -1.710 1.979 1.00 0.00 N ATOM 272 CA LEU X 19 66.479 -2.608 1.080 1.00 0.00 C ATOM 273 C LEU X 19 65.594 -3.771 0.644 1.00 0.00 C ATOM 274 O LEU X 19 65.631 -4.203 -0.502 1.00 0.00 O ATOM 275 CB LEU X 19 67.679 -3.092 1.802 1.00 0.00 C ATOM 276 CG LEU X 19 68.685 -2.001 2.128 1.00 0.00 C ATOM 277 CD1 LEU X 19 69.929 -2.569 2.645 1.00 0.00 C ATOM 278 CD2 LEU X 19 68.960 -1.107 0.953 1.00 0.00 C ATOM 0 H LEU X 19 66.256 -1.602 2.878 1.00 0.00 H new ATOM 0 HA LEU X 19 66.756 -2.086 0.164 1.00 0.00 H new ATOM 0 HB2 LEU X 19 67.364 -3.571 2.729 1.00 0.00 H new ATOM 0 HB3 LEU X 19 68.170 -3.856 1.199 1.00 0.00 H new ATOM 0 HG LEU X 19 68.236 -1.383 2.905 1.00 0.00 H new ATOM 0 HD11 LEU X 19 70.630 -1.765 2.870 1.00 0.00 H new ATOM 0 HD12 LEU X 19 69.721 -3.134 3.554 1.00 0.00 H new ATOM 0 HD13 LEU X 19 70.365 -3.232 1.897 1.00 0.00 H new ATOM 0 HD21 LEU X 19 69.685 -0.344 1.238 1.00 0.00 H new ATOM 0 HD22 LEU X 19 69.361 -1.700 0.131 1.00 0.00 H new ATOM 0 HD23 LEU X 19 68.034 -0.627 0.636 1.00 0.00 H new ATOM 290 N LYS X 20 64.778 -4.246 1.563 1.00 0.00 N ATOM 291 CA LYS X 20 63.810 -5.284 1.293 1.00 0.00 C ATOM 292 C LYS X 20 62.686 -4.768 0.428 1.00 0.00 C ATOM 293 O LYS X 20 62.113 -5.511 -0.362 1.00 0.00 O ATOM 294 CB LYS X 20 63.285 -5.922 2.573 1.00 0.00 C ATOM 295 CG LYS X 20 64.351 -6.705 3.306 1.00 0.00 C ATOM 296 CD LYS X 20 63.807 -7.505 4.467 1.00 0.00 C ATOM 297 CE LYS X 20 64.941 -8.269 5.139 1.00 0.00 C ATOM 298 NZ LYS X 20 64.489 -9.145 6.239 1.00 0.00 N ATOM 0 H LYS X 20 64.770 -3.917 2.528 1.00 0.00 H new ATOM 0 HA LYS X 20 64.323 -6.069 0.738 1.00 0.00 H new ATOM 0 HB2 LYS X 20 62.893 -5.145 3.229 1.00 0.00 H new ATOM 0 HB3 LYS X 20 62.453 -6.584 2.331 1.00 0.00 H new ATOM 0 HG2 LYS X 20 64.843 -7.380 2.606 1.00 0.00 H new ATOM 0 HG3 LYS X 20 65.112 -6.016 3.672 1.00 0.00 H new ATOM 0 HD2 LYS X 20 63.327 -6.841 5.186 1.00 0.00 H new ATOM 0 HD3 LYS X 20 63.044 -8.200 4.117 1.00 0.00 H new ATOM 0 HE2 LYS X 20 65.455 -8.873 4.391 1.00 0.00 H new ATOM 0 HE3 LYS X 20 65.669 -7.556 5.528 1.00 0.00 H new ATOM 0 HZ1 LYS X 20 65.312 -9.609 6.674 1.00 0.00 H new ATOM 0 HZ2 LYS X 20 63.993 -8.576 6.955 1.00 0.00 H new ATOM 0 HZ3 LYS X 20 63.843 -9.868 5.864 1.00 0.00 H new ATOM 312 N GLU X 21 62.334 -3.516 0.609 1.00 0.00 N ATOM 313 CA GLU X 21 61.335 -2.895 -0.231 1.00 0.00 C ATOM 314 C GLU X 21 61.886 -2.767 -1.640 1.00 0.00 C ATOM 315 O GLU X 21 61.216 -3.082 -2.604 1.00 0.00 O ATOM 316 CB GLU X 21 60.921 -1.528 0.308 1.00 0.00 C ATOM 317 CG GLU X 21 60.364 -1.560 1.716 1.00 0.00 C ATOM 318 CD GLU X 21 59.126 -2.410 1.849 1.00 0.00 C ATOM 319 OE1 GLU X 21 59.236 -3.642 2.027 1.00 0.00 O ATOM 320 OE2 GLU X 21 58.018 -1.863 1.808 1.00 0.00 O ATOM 0 H GLU X 21 62.724 -2.908 1.329 1.00 0.00 H new ATOM 0 HA GLU X 21 60.443 -3.522 -0.238 1.00 0.00 H new ATOM 0 HB2 GLU X 21 61.785 -0.864 0.286 1.00 0.00 H new ATOM 0 HB3 GLU X 21 60.172 -1.099 -0.358 1.00 0.00 H new ATOM 0 HG2 GLU X 21 61.130 -1.937 2.394 1.00 0.00 H new ATOM 0 HG3 GLU X 21 60.133 -0.542 2.031 1.00 0.00 H new ATOM 327 N ILE X 22 63.142 -2.351 -1.743 1.00 0.00 N ATOM 328 CA ILE X 22 63.801 -2.230 -3.034 1.00 0.00 C ATOM 329 C ILE X 22 63.812 -3.590 -3.751 1.00 0.00 C ATOM 330 O ILE X 22 63.540 -3.676 -4.940 1.00 0.00 O ATOM 331 CB ILE X 22 65.244 -1.718 -2.890 1.00 0.00 C ATOM 332 CG1 ILE X 22 65.279 -0.446 -2.033 1.00 0.00 C ATOM 333 CG2 ILE X 22 65.802 -1.437 -4.266 1.00 0.00 C ATOM 334 CD1 ILE X 22 66.655 0.140 -1.830 1.00 0.00 C ATOM 0 H ILE X 22 63.724 -2.092 -0.946 1.00 0.00 H new ATOM 0 HA ILE X 22 63.239 -1.505 -3.622 1.00 0.00 H new ATOM 0 HB ILE X 22 65.851 -2.476 -2.395 1.00 0.00 H new ATOM 0 HG12 ILE X 22 64.643 0.307 -2.499 1.00 0.00 H new ATOM 0 HG13 ILE X 22 64.847 -0.669 -1.058 1.00 0.00 H new ATOM 0 HG21 ILE X 22 66.826 -1.073 -4.176 1.00 0.00 H new ATOM 0 HG22 ILE X 22 65.793 -2.353 -4.856 1.00 0.00 H new ATOM 0 HG23 ILE X 22 65.190 -0.682 -4.759 1.00 0.00 H new ATOM 0 HD11 ILE X 22 66.582 1.035 -1.213 1.00 0.00 H new ATOM 0 HD12 ILE X 22 67.292 -0.592 -1.334 1.00 0.00 H new ATOM 0 HD13 ILE X 22 67.086 0.400 -2.797 1.00 0.00 H new ATOM 346 N GLU X 23 64.095 -4.632 -2.989 1.00 0.00 N ATOM 347 CA GLU X 23 64.086 -6.001 -3.436 1.00 0.00 C ATOM 348 C GLU X 23 62.698 -6.370 -3.986 1.00 0.00 C ATOM 349 O GLU X 23 62.558 -6.881 -5.105 1.00 0.00 O ATOM 350 CB GLU X 23 64.393 -6.799 -2.180 1.00 0.00 C ATOM 351 CG GLU X 23 64.054 -8.248 -2.186 1.00 0.00 C ATOM 352 CD GLU X 23 65.012 -9.109 -2.969 1.00 0.00 C ATOM 353 OE1 GLU X 23 66.185 -9.218 -2.582 1.00 0.00 O ATOM 354 OE2 GLU X 23 64.582 -9.749 -3.950 1.00 0.00 O ATOM 0 H GLU X 23 64.346 -4.537 -2.005 1.00 0.00 H new ATOM 0 HA GLU X 23 64.800 -6.192 -4.237 1.00 0.00 H new ATOM 0 HB2 GLU X 23 65.459 -6.704 -1.973 1.00 0.00 H new ATOM 0 HB3 GLU X 23 63.864 -6.333 -1.348 1.00 0.00 H new ATOM 0 HG2 GLU X 23 64.022 -8.605 -1.157 1.00 0.00 H new ATOM 0 HG3 GLU X 23 63.053 -8.373 -2.598 1.00 0.00 H new ATOM 361 N LYS X 24 61.700 -6.026 -3.222 1.00 0.00 N ATOM 362 CA LYS X 24 60.321 -6.328 -3.506 1.00 0.00 C ATOM 363 C LYS X 24 59.858 -5.605 -4.772 1.00 0.00 C ATOM 364 O LYS X 24 59.342 -6.224 -5.720 1.00 0.00 O ATOM 365 CB LYS X 24 59.511 -5.848 -2.335 1.00 0.00 C ATOM 366 CG LYS X 24 58.080 -6.259 -2.342 1.00 0.00 C ATOM 367 CD LYS X 24 57.371 -5.615 -1.180 1.00 0.00 C ATOM 368 CE LYS X 24 55.870 -5.697 -1.303 1.00 0.00 C ATOM 369 NZ LYS X 24 55.211 -5.005 -0.179 1.00 0.00 N ATOM 0 H LYS X 24 61.827 -5.509 -2.352 1.00 0.00 H new ATOM 0 HA LYS X 24 60.197 -7.399 -3.665 1.00 0.00 H new ATOM 0 HB2 LYS X 24 59.973 -6.216 -1.419 1.00 0.00 H new ATOM 0 HB3 LYS X 24 59.560 -4.760 -2.302 1.00 0.00 H new ATOM 0 HG2 LYS X 24 57.609 -5.963 -3.279 1.00 0.00 H new ATOM 0 HG3 LYS X 24 58.001 -7.344 -2.275 1.00 0.00 H new ATOM 0 HD2 LYS X 24 57.684 -6.098 -0.254 1.00 0.00 H new ATOM 0 HD3 LYS X 24 57.670 -4.569 -1.110 1.00 0.00 H new ATOM 0 HE2 LYS X 24 55.553 -5.251 -2.246 1.00 0.00 H new ATOM 0 HE3 LYS X 24 55.559 -6.742 -1.325 1.00 0.00 H new ATOM 0 HZ1 LYS X 24 54.179 -5.075 -0.285 1.00 0.00 H new ATOM 0 HZ2 LYS X 24 55.497 -5.448 0.717 1.00 0.00 H new ATOM 0 HZ3 LYS X 24 55.492 -4.004 -0.175 1.00 0.00 H new ATOM 383 N GLU X 25 60.081 -4.309 -4.802 1.00 0.00 N ATOM 384 CA GLU X 25 59.702 -3.491 -5.910 1.00 0.00 C ATOM 385 C GLU X 25 60.526 -3.788 -7.163 1.00 0.00 C ATOM 386 O GLU X 25 60.125 -3.428 -8.267 1.00 0.00 O ATOM 387 CB GLU X 25 59.757 -2.003 -5.545 1.00 0.00 C ATOM 388 CG GLU X 25 58.574 -1.471 -4.716 1.00 0.00 C ATOM 389 CD GLU X 25 58.231 -2.195 -3.427 1.00 0.00 C ATOM 390 OE1 GLU X 25 57.421 -3.138 -3.473 1.00 0.00 O ATOM 391 OE2 GLU X 25 58.669 -1.768 -2.351 1.00 0.00 O ATOM 0 H GLU X 25 60.536 -3.798 -4.045 1.00 0.00 H new ATOM 0 HA GLU X 25 58.668 -3.742 -6.149 1.00 0.00 H new ATOM 0 HB2 GLU X 25 60.677 -1.818 -4.990 1.00 0.00 H new ATOM 0 HB3 GLU X 25 59.819 -1.424 -6.467 1.00 0.00 H new ATOM 0 HG2 GLU X 25 58.779 -0.429 -4.471 1.00 0.00 H new ATOM 0 HG3 GLU X 25 57.688 -1.481 -5.351 1.00 0.00 H new ATOM 398 N ASN X 26 61.654 -4.450 -7.004 1.00 0.00 N ATOM 399 CA ASN X 26 62.478 -4.797 -8.147 1.00 0.00 C ATOM 400 C ASN X 26 62.063 -6.143 -8.736 1.00 0.00 C ATOM 401 O ASN X 26 62.031 -6.298 -9.953 1.00 0.00 O ATOM 402 CB ASN X 26 63.977 -4.767 -7.810 1.00 0.00 C ATOM 403 CG ASN X 26 64.866 -4.987 -9.025 1.00 0.00 C ATOM 404 OD1 ASN X 26 65.265 -6.110 -9.329 1.00 0.00 O ATOM 405 ND2 ASN X 26 65.178 -3.922 -9.730 1.00 0.00 N ATOM 0 H ASN X 26 62.020 -4.757 -6.103 1.00 0.00 H new ATOM 0 HA ASN X 26 62.312 -4.034 -8.908 1.00 0.00 H new ATOM 0 HB2 ASN X 26 64.222 -3.807 -7.357 1.00 0.00 H new ATOM 0 HB3 ASN X 26 64.192 -5.534 -7.066 1.00 0.00 H new ATOM 0 HD21 ASN X 26 65.768 -4.013 -10.557 1.00 0.00 H new ATOM 0 HD22 ASN X 26 64.830 -3.005 -9.450 1.00 0.00 H new ATOM 412 N VAL X 27 61.708 -7.109 -7.882 1.00 0.00 N ATOM 413 CA VAL X 27 61.250 -8.416 -8.382 1.00 0.00 C ATOM 414 C VAL X 27 59.853 -8.315 -8.996 1.00 0.00 C ATOM 415 O VAL X 27 59.532 -9.018 -9.961 1.00 0.00 O ATOM 416 CB VAL X 27 61.306 -9.568 -7.326 1.00 0.00 C ATOM 417 CG1 VAL X 27 62.733 -9.843 -6.904 1.00 0.00 C ATOM 418 CG2 VAL X 27 60.446 -9.269 -6.108 1.00 0.00 C ATOM 0 H VAL X 27 61.726 -7.019 -6.866 1.00 0.00 H new ATOM 0 HA VAL X 27 61.966 -8.690 -9.157 1.00 0.00 H new ATOM 0 HB VAL X 27 60.901 -10.459 -7.806 1.00 0.00 H new ATOM 0 HG11 VAL X 27 62.746 -10.648 -6.169 1.00 0.00 H new ATOM 0 HG12 VAL X 27 63.320 -10.136 -7.774 1.00 0.00 H new ATOM 0 HG13 VAL X 27 63.162 -8.943 -6.464 1.00 0.00 H new ATOM 0 HG21 VAL X 27 60.516 -10.096 -5.402 1.00 0.00 H new ATOM 0 HG22 VAL X 27 60.797 -8.354 -5.631 1.00 0.00 H new ATOM 0 HG23 VAL X 27 59.409 -9.142 -6.417 1.00 0.00 H new ATOM 428 N ALA X 28 59.028 -7.433 -8.444 1.00 0.00 N ATOM 429 CA ALA X 28 57.715 -7.176 -9.010 1.00 0.00 C ATOM 430 C ALA X 28 57.872 -6.218 -10.178 1.00 0.00 C ATOM 431 O ALA X 28 57.084 -6.215 -11.114 1.00 0.00 O ATOM 432 CB ALA X 28 56.784 -6.592 -7.959 1.00 0.00 C ATOM 0 H ALA X 28 59.246 -6.888 -7.610 1.00 0.00 H new ATOM 0 HA ALA X 28 57.275 -8.110 -9.358 1.00 0.00 H new ATOM 0 HB1 ALA X 28 55.806 -6.406 -8.402 1.00 0.00 H new ATOM 0 HB2 ALA X 28 56.681 -7.296 -7.133 1.00 0.00 H new ATOM 0 HB3 ALA X 28 57.198 -5.655 -7.587 1.00 0.00 H new ATOM 438 N ALA X 29 58.939 -5.430 -10.101 1.00 0.00 N ATOM 439 CA ALA X 29 59.331 -4.448 -11.096 1.00 0.00 C ATOM 440 C ALA X 29 58.335 -3.319 -11.233 1.00 0.00 C ATOM 441 O ALA X 29 57.507 -3.291 -12.154 1.00 0.00 O ATOM 442 CB ALA X 29 59.660 -5.070 -12.440 1.00 0.00 C ATOM 0 H ALA X 29 59.579 -5.463 -9.308 1.00 0.00 H new ATOM 0 HA ALA X 29 60.254 -4.008 -10.718 1.00 0.00 H new ATOM 0 HB1 ALA X 29 59.946 -4.287 -13.143 1.00 0.00 H new ATOM 0 HB2 ALA X 29 60.485 -5.773 -12.324 1.00 0.00 H new ATOM 0 HB3 ALA X 29 58.785 -5.598 -12.821 1.00 0.00 H new ATOM 448 N THR X 30 58.376 -2.417 -10.299 1.00 0.00 N ATOM 449 CA THR X 30 57.542 -1.261 -10.354 1.00 0.00 C ATOM 450 C THR X 30 58.359 -0.112 -10.904 1.00 0.00 C ATOM 451 O THR X 30 59.535 -0.299 -11.277 1.00 0.00 O ATOM 452 CB THR X 30 56.976 -0.913 -8.961 1.00 0.00 C ATOM 453 OG1 THR X 30 58.044 -0.711 -8.035 1.00 0.00 O ATOM 454 CG2 THR X 30 56.118 -2.040 -8.459 1.00 0.00 C ATOM 0 H THR X 30 58.986 -2.464 -9.483 1.00 0.00 H new ATOM 0 HA THR X 30 56.689 -1.457 -11.004 1.00 0.00 H new ATOM 0 HB THR X 30 56.383 -0.003 -9.048 1.00 0.00 H new ATOM 0 HG1 THR X 30 58.028 0.215 -7.714 1.00 0.00 H new ATOM 0 HG21 THR X 30 55.723 -1.786 -7.475 1.00 0.00 H new ATOM 0 HG22 THR X 30 55.292 -2.204 -9.151 1.00 0.00 H new ATOM 0 HG23 THR X 30 56.716 -2.948 -8.386 1.00 0.00 H new ATOM 462 N ASP X 31 57.785 1.043 -10.982 1.00 0.00 N ATOM 463 CA ASP X 31 58.513 2.177 -11.474 1.00 0.00 C ATOM 464 C ASP X 31 58.469 3.319 -10.523 1.00 0.00 C ATOM 465 O ASP X 31 59.519 3.794 -10.098 1.00 0.00 O ATOM 466 CB ASP X 31 58.033 2.603 -12.844 1.00 0.00 C ATOM 467 CG ASP X 31 58.677 3.895 -13.328 1.00 0.00 C ATOM 468 OD1 ASP X 31 59.848 3.873 -13.738 1.00 0.00 O ATOM 469 OD2 ASP X 31 58.022 4.971 -13.285 1.00 0.00 O ATOM 0 H ASP X 31 56.819 1.231 -10.714 1.00 0.00 H new ATOM 0 HA ASP X 31 59.552 1.862 -11.568 1.00 0.00 H new ATOM 0 HB2 ASP X 31 58.244 1.808 -13.560 1.00 0.00 H new ATOM 0 HB3 ASP X 31 56.951 2.730 -12.820 1.00 0.00 H new ATOM 474 N ASP X 32 57.267 3.755 -10.162 1.00 0.00 N ATOM 475 CA ASP X 32 57.122 4.932 -9.306 1.00 0.00 C ATOM 476 C ASP X 32 57.845 4.767 -7.997 1.00 0.00 C ATOM 477 O ASP X 32 58.749 5.524 -7.706 1.00 0.00 O ATOM 478 CB ASP X 32 55.648 5.372 -9.080 1.00 0.00 C ATOM 479 CG ASP X 32 54.795 4.402 -8.270 1.00 0.00 C ATOM 480 OD1 ASP X 32 54.235 3.451 -8.848 1.00 0.00 O ATOM 481 OD2 ASP X 32 54.661 4.588 -7.038 1.00 0.00 O ATOM 0 H ASP X 32 56.388 3.320 -10.443 1.00 0.00 H new ATOM 0 HA ASP X 32 57.595 5.743 -9.859 1.00 0.00 H new ATOM 0 HB2 ASP X 32 55.648 6.338 -8.576 1.00 0.00 H new ATOM 0 HB3 ASP X 32 55.177 5.520 -10.052 1.00 0.00 H new ATOM 486 N VAL X 33 57.535 3.724 -7.276 1.00 0.00 N ATOM 487 CA VAL X 33 58.098 3.544 -5.960 1.00 0.00 C ATOM 488 C VAL X 33 59.480 2.961 -6.031 1.00 0.00 C ATOM 489 O VAL X 33 60.341 3.309 -5.254 1.00 0.00 O ATOM 490 CB VAL X 33 57.174 2.735 -5.034 1.00 0.00 C ATOM 491 CG1 VAL X 33 56.836 1.373 -5.600 1.00 0.00 C ATOM 492 CG2 VAL X 33 57.728 2.640 -3.622 1.00 0.00 C ATOM 0 H VAL X 33 56.897 2.986 -7.574 1.00 0.00 H new ATOM 0 HA VAL X 33 58.187 4.534 -5.512 1.00 0.00 H new ATOM 0 HB VAL X 33 56.236 3.287 -4.975 1.00 0.00 H new ATOM 0 HG11 VAL X 33 56.182 0.843 -4.908 1.00 0.00 H new ATOM 0 HG12 VAL X 33 56.330 1.492 -6.558 1.00 0.00 H new ATOM 0 HG13 VAL X 33 57.753 0.801 -5.743 1.00 0.00 H new ATOM 0 HG21 VAL X 33 57.045 2.061 -3.001 1.00 0.00 H new ATOM 0 HG22 VAL X 33 58.701 2.150 -3.645 1.00 0.00 H new ATOM 0 HG23 VAL X 33 57.836 3.641 -3.205 1.00 0.00 H new ATOM 502 N LEU X 34 59.691 2.147 -7.018 1.00 0.00 N ATOM 503 CA LEU X 34 60.982 1.534 -7.263 1.00 0.00 C ATOM 504 C LEU X 34 62.019 2.625 -7.482 1.00 0.00 C ATOM 505 O LEU X 34 63.063 2.613 -6.851 1.00 0.00 O ATOM 506 CB LEU X 34 60.856 0.610 -8.479 1.00 0.00 C ATOM 507 CG LEU X 34 62.023 -0.320 -8.858 1.00 0.00 C ATOM 508 CD1 LEU X 34 62.962 0.371 -9.802 1.00 0.00 C ATOM 509 CD2 LEU X 34 62.765 -0.844 -7.630 1.00 0.00 C ATOM 0 H LEU X 34 58.972 1.879 -7.690 1.00 0.00 H new ATOM 0 HA LEU X 34 61.305 0.938 -6.410 1.00 0.00 H new ATOM 0 HB2 LEU X 34 59.979 -0.017 -8.321 1.00 0.00 H new ATOM 0 HB3 LEU X 34 60.647 1.239 -9.345 1.00 0.00 H new ATOM 0 HG LEU X 34 61.598 -1.187 -9.364 1.00 0.00 H new ATOM 0 HD11 LEU X 34 63.780 -0.302 -10.059 1.00 0.00 H new ATOM 0 HD12 LEU X 34 62.425 0.652 -10.708 1.00 0.00 H new ATOM 0 HD13 LEU X 34 63.363 1.266 -9.326 1.00 0.00 H new ATOM 0 HD21 LEU X 34 63.579 -1.495 -7.947 1.00 0.00 H new ATOM 0 HD22 LEU X 34 63.171 -0.005 -7.065 1.00 0.00 H new ATOM 0 HD23 LEU X 34 62.075 -1.406 -7.000 1.00 0.00 H new ATOM 521 N ASP X 35 61.687 3.616 -8.291 1.00 0.00 N ATOM 522 CA ASP X 35 62.634 4.694 -8.551 1.00 0.00 C ATOM 523 C ASP X 35 62.771 5.600 -7.354 1.00 0.00 C ATOM 524 O ASP X 35 63.810 6.230 -7.165 1.00 0.00 O ATOM 525 CB ASP X 35 62.313 5.465 -9.830 1.00 0.00 C ATOM 526 CG ASP X 35 63.292 6.592 -10.129 1.00 0.00 C ATOM 527 OD1 ASP X 35 64.435 6.323 -10.541 1.00 0.00 O ATOM 528 OD2 ASP X 35 62.921 7.777 -9.973 1.00 0.00 O ATOM 0 H ASP X 35 60.791 3.700 -8.771 1.00 0.00 H new ATOM 0 HA ASP X 35 63.606 4.231 -8.722 1.00 0.00 H new ATOM 0 HB2 ASP X 35 62.305 4.770 -10.670 1.00 0.00 H new ATOM 0 HB3 ASP X 35 61.308 5.880 -9.751 1.00 0.00 H new ATOM 533 N VAL X 36 61.742 5.637 -6.511 1.00 0.00 N ATOM 534 CA VAL X 36 61.832 6.383 -5.259 1.00 0.00 C ATOM 535 C VAL X 36 62.917 5.807 -4.455 1.00 0.00 C ATOM 536 O VAL X 36 63.812 6.499 -4.015 1.00 0.00 O ATOM 537 CB VAL X 36 60.584 6.199 -4.382 1.00 0.00 C ATOM 538 CG1 VAL X 36 60.749 6.875 -3.065 1.00 0.00 C ATOM 539 CG2 VAL X 36 59.411 6.712 -5.029 1.00 0.00 C ATOM 0 H VAL X 36 60.850 5.168 -6.668 1.00 0.00 H new ATOM 0 HA VAL X 36 61.970 7.431 -5.526 1.00 0.00 H new ATOM 0 HB VAL X 36 60.463 5.127 -4.224 1.00 0.00 H new ATOM 0 HG11 VAL X 36 59.851 6.728 -2.466 1.00 0.00 H new ATOM 0 HG12 VAL X 36 61.607 6.451 -2.543 1.00 0.00 H new ATOM 0 HG13 VAL X 36 60.911 7.942 -3.221 1.00 0.00 H new ATOM 0 HG21 VAL X 36 58.546 6.566 -4.382 1.00 0.00 H new ATOM 0 HG22 VAL X 36 59.541 7.776 -5.227 1.00 0.00 H new ATOM 0 HG23 VAL X 36 59.254 6.184 -5.970 1.00 0.00 H new ATOM 549 N LEU X 37 62.856 4.523 -4.354 1.00 0.00 N ATOM 550 CA LEU X 37 63.709 3.781 -3.519 1.00 0.00 C ATOM 551 C LEU X 37 65.103 3.821 -4.016 1.00 0.00 C ATOM 552 O LEU X 37 66.030 3.995 -3.245 1.00 0.00 O ATOM 553 CB LEU X 37 63.255 2.368 -3.451 1.00 0.00 C ATOM 554 CG LEU X 37 61.796 2.112 -3.045 1.00 0.00 C ATOM 555 CD1 LEU X 37 61.490 0.633 -3.058 1.00 0.00 C ATOM 556 CD2 LEU X 37 61.479 2.712 -1.681 1.00 0.00 C ATOM 0 H LEU X 37 62.187 3.952 -4.870 1.00 0.00 H new ATOM 0 HA LEU X 37 63.676 4.227 -2.525 1.00 0.00 H new ATOM 0 HB2 LEU X 37 63.417 1.915 -4.429 1.00 0.00 H new ATOM 0 HB3 LEU X 37 63.898 1.841 -2.746 1.00 0.00 H new ATOM 0 HG LEU X 37 61.160 2.606 -3.779 1.00 0.00 H new ATOM 0 HD11 LEU X 37 60.452 0.474 -2.767 1.00 0.00 H new ATOM 0 HD12 LEU X 37 61.651 0.237 -4.061 1.00 0.00 H new ATOM 0 HD13 LEU X 37 62.146 0.119 -2.355 1.00 0.00 H new ATOM 0 HD21 LEU X 37 60.438 2.511 -1.428 1.00 0.00 H new ATOM 0 HD22 LEU X 37 62.128 2.266 -0.928 1.00 0.00 H new ATOM 0 HD23 LEU X 37 61.643 3.789 -1.710 1.00 0.00 H new ATOM 568 N LEU X 38 65.237 3.674 -5.305 1.00 0.00 N ATOM 569 CA LEU X 38 66.514 3.682 -5.948 1.00 0.00 C ATOM 570 C LEU X 38 67.236 4.989 -5.684 1.00 0.00 C ATOM 571 O LEU X 38 68.418 5.001 -5.306 1.00 0.00 O ATOM 572 CB LEU X 38 66.361 3.442 -7.445 1.00 0.00 C ATOM 573 CG LEU X 38 65.796 2.105 -7.924 1.00 0.00 C ATOM 574 CD1 LEU X 38 66.141 1.911 -9.365 1.00 0.00 C ATOM 575 CD2 LEU X 38 66.285 0.943 -7.109 1.00 0.00 C ATOM 0 H LEU X 38 64.451 3.544 -5.942 1.00 0.00 H new ATOM 0 HA LEU X 38 67.114 2.872 -5.532 1.00 0.00 H new ATOM 0 HB2 LEU X 38 65.722 4.231 -7.842 1.00 0.00 H new ATOM 0 HB3 LEU X 38 67.343 3.567 -7.901 1.00 0.00 H new ATOM 0 HG LEU X 38 64.714 2.139 -7.798 1.00 0.00 H new ATOM 0 HD11 LEU X 38 65.740 0.958 -9.710 1.00 0.00 H new ATOM 0 HD12 LEU X 38 65.711 2.721 -9.954 1.00 0.00 H new ATOM 0 HD13 LEU X 38 67.225 1.912 -9.483 1.00 0.00 H new ATOM 0 HD21 LEU X 38 65.851 0.020 -7.494 1.00 0.00 H new ATOM 0 HD22 LEU X 38 67.372 0.887 -7.171 1.00 0.00 H new ATOM 0 HD23 LEU X 38 65.987 1.077 -6.069 1.00 0.00 H new ATOM 587 N GLU X 39 66.521 6.070 -5.845 1.00 0.00 N ATOM 588 CA GLU X 39 67.056 7.378 -5.584 1.00 0.00 C ATOM 589 C GLU X 39 67.261 7.624 -4.106 1.00 0.00 C ATOM 590 O GLU X 39 68.257 8.222 -3.703 1.00 0.00 O ATOM 591 CB GLU X 39 66.133 8.429 -6.111 1.00 0.00 C ATOM 592 CG GLU X 39 66.057 8.524 -7.605 1.00 0.00 C ATOM 593 CD GLU X 39 67.391 8.797 -8.231 1.00 0.00 C ATOM 594 OE1 GLU X 39 67.908 9.940 -8.099 1.00 0.00 O ATOM 595 OE2 GLU X 39 67.960 7.886 -8.861 1.00 0.00 O ATOM 0 H GLU X 39 65.551 6.068 -6.161 1.00 0.00 H new ATOM 0 HA GLU X 39 68.023 7.428 -6.085 1.00 0.00 H new ATOM 0 HB2 GLU X 39 65.132 8.237 -5.724 1.00 0.00 H new ATOM 0 HB3 GLU X 39 66.447 9.396 -5.717 1.00 0.00 H new ATOM 0 HG2 GLU X 39 65.655 7.593 -8.005 1.00 0.00 H new ATOM 0 HG3 GLU X 39 65.361 9.316 -7.881 1.00 0.00 H new ATOM 602 N HIS X 40 66.312 7.183 -3.318 1.00 0.00 N ATOM 603 CA HIS X 40 66.319 7.400 -1.892 1.00 0.00 C ATOM 604 C HIS X 40 67.510 6.738 -1.269 1.00 0.00 C ATOM 605 O HIS X 40 68.223 7.335 -0.478 1.00 0.00 O ATOM 606 CB HIS X 40 65.019 6.885 -1.262 1.00 0.00 C ATOM 607 CG HIS X 40 64.919 7.138 0.207 1.00 0.00 C ATOM 608 ND1 HIS X 40 64.416 8.288 0.749 1.00 0.00 N ATOM 609 CD2 HIS X 40 65.310 6.375 1.248 1.00 0.00 C ATOM 610 CE1 HIS X 40 64.521 8.201 2.064 1.00 0.00 C ATOM 611 NE2 HIS X 40 65.060 7.055 2.424 1.00 0.00 N ATOM 0 H HIS X 40 65.504 6.658 -3.652 1.00 0.00 H new ATOM 0 HA HIS X 40 66.386 8.472 -1.705 1.00 0.00 H new ATOM 0 HB2 HIS X 40 64.173 7.357 -1.761 1.00 0.00 H new ATOM 0 HB3 HIS X 40 64.938 5.813 -1.443 1.00 0.00 H new ATOM 0 HD1 HIS X 40 64.028 9.075 0.230 1.00 0.00 H new ATOM 0 HD2 HIS X 40 65.748 5.391 1.174 1.00 0.00 H new ATOM 0 HE1 HIS X 40 64.206 8.970 2.753 1.00 0.00 H new ATOM 619 N PHE X 41 67.733 5.540 -1.670 1.00 0.00 N ATOM 620 CA PHE X 41 68.826 4.761 -1.212 1.00 0.00 C ATOM 621 C PHE X 41 70.151 5.463 -1.504 1.00 0.00 C ATOM 622 O PHE X 41 70.969 5.652 -0.612 1.00 0.00 O ATOM 623 CB PHE X 41 68.731 3.400 -1.878 1.00 0.00 C ATOM 624 CG PHE X 41 69.953 2.555 -1.795 1.00 0.00 C ATOM 625 CD1 PHE X 41 70.280 1.907 -0.631 1.00 0.00 C ATOM 626 CD2 PHE X 41 70.775 2.406 -2.891 1.00 0.00 C ATOM 627 CE1 PHE X 41 71.410 1.123 -0.553 1.00 0.00 C ATOM 628 CE2 PHE X 41 71.899 1.623 -2.810 1.00 0.00 C ATOM 629 CZ PHE X 41 72.219 0.986 -1.646 1.00 0.00 C ATOM 0 H PHE X 41 67.142 5.059 -2.347 1.00 0.00 H new ATOM 0 HA PHE X 41 68.787 4.633 -0.130 1.00 0.00 H new ATOM 0 HB2 PHE X 41 67.902 2.853 -1.429 1.00 0.00 H new ATOM 0 HB3 PHE X 41 68.484 3.547 -2.929 1.00 0.00 H new ATOM 0 HD1 PHE X 41 69.644 2.013 0.235 1.00 0.00 H new ATOM 0 HD2 PHE X 41 70.534 2.907 -3.817 1.00 0.00 H new ATOM 0 HE1 PHE X 41 71.656 0.618 0.369 1.00 0.00 H new ATOM 0 HE2 PHE X 41 72.536 1.510 -3.675 1.00 0.00 H new ATOM 0 HZ PHE X 41 73.108 0.376 -1.589 1.00 0.00 H new ATOM 639 N VAL X 42 70.347 5.864 -2.726 1.00 0.00 N ATOM 640 CA VAL X 42 71.564 6.540 -3.102 1.00 0.00 C ATOM 641 C VAL X 42 71.714 7.938 -2.475 1.00 0.00 C ATOM 642 O VAL X 42 72.792 8.331 -2.153 1.00 0.00 O ATOM 643 CB VAL X 42 71.802 6.528 -4.631 1.00 0.00 C ATOM 644 CG1 VAL X 42 70.765 7.258 -5.389 1.00 0.00 C ATOM 645 CG2 VAL X 42 73.197 6.966 -5.018 1.00 0.00 C ATOM 0 H VAL X 42 69.679 5.736 -3.486 1.00 0.00 H new ATOM 0 HA VAL X 42 72.372 5.952 -2.666 1.00 0.00 H new ATOM 0 HB VAL X 42 71.714 5.481 -4.921 1.00 0.00 H new ATOM 0 HG11 VAL X 42 70.992 7.211 -6.454 1.00 0.00 H new ATOM 0 HG12 VAL X 42 69.792 6.803 -5.205 1.00 0.00 H new ATOM 0 HG13 VAL X 42 70.745 8.300 -5.068 1.00 0.00 H new ATOM 0 HG21 VAL X 42 73.300 6.936 -6.103 1.00 0.00 H new ATOM 0 HG22 VAL X 42 73.370 7.983 -4.665 1.00 0.00 H new ATOM 0 HG23 VAL X 42 73.928 6.296 -4.565 1.00 0.00 H new ATOM 655 N LYS X 43 70.620 8.645 -2.266 1.00 0.00 N ATOM 656 CA LYS X 43 70.698 10.020 -1.690 1.00 0.00 C ATOM 657 C LYS X 43 71.141 10.001 -0.228 1.00 0.00 C ATOM 658 O LYS X 43 71.806 10.920 0.238 1.00 0.00 O ATOM 659 CB LYS X 43 69.356 10.802 -1.817 1.00 0.00 C ATOM 660 CG LYS X 43 68.237 10.328 -0.863 1.00 0.00 C ATOM 661 CD LYS X 43 66.907 11.056 -1.086 1.00 0.00 C ATOM 662 CE LYS X 43 66.948 12.491 -0.575 1.00 0.00 C ATOM 663 NZ LYS X 43 65.683 13.217 -0.823 1.00 0.00 N ATOM 0 H LYS X 43 69.676 8.320 -2.473 1.00 0.00 H new ATOM 0 HA LYS X 43 71.451 10.541 -2.281 1.00 0.00 H new ATOM 0 HB2 LYS X 43 69.549 11.859 -1.632 1.00 0.00 H new ATOM 0 HB3 LYS X 43 68.999 10.718 -2.843 1.00 0.00 H new ATOM 0 HG2 LYS X 43 68.085 9.257 -0.996 1.00 0.00 H new ATOM 0 HG3 LYS X 43 68.558 10.479 0.168 1.00 0.00 H new ATOM 0 HD2 LYS X 43 66.668 11.057 -2.150 1.00 0.00 H new ATOM 0 HD3 LYS X 43 66.108 10.514 -0.580 1.00 0.00 H new ATOM 0 HE2 LYS X 43 67.157 12.486 0.495 1.00 0.00 H new ATOM 0 HE3 LYS X 43 67.769 13.022 -1.058 1.00 0.00 H new ATOM 0 HZ1 LYS X 43 65.762 14.187 -0.457 1.00 0.00 H new ATOM 0 HZ2 LYS X 43 65.494 13.247 -1.845 1.00 0.00 H new ATOM 0 HZ3 LYS X 43 64.902 12.728 -0.341 1.00 0.00 H new ATOM 677 N ILE X 44 70.757 8.979 0.494 1.00 0.00 N ATOM 678 CA ILE X 44 71.115 8.890 1.891 1.00 0.00 C ATOM 679 C ILE X 44 72.494 8.270 2.055 1.00 0.00 C ATOM 680 O ILE X 44 73.242 8.631 2.953 1.00 0.00 O ATOM 681 CB ILE X 44 70.033 8.121 2.705 1.00 0.00 C ATOM 682 CG1 ILE X 44 69.772 6.741 2.095 1.00 0.00 C ATOM 683 CG2 ILE X 44 68.744 8.937 2.746 1.00 0.00 C ATOM 684 CD1 ILE X 44 68.656 5.970 2.741 1.00 0.00 C ATOM 0 H ILE X 44 70.200 8.200 0.143 1.00 0.00 H new ATOM 0 HA ILE X 44 71.158 9.901 2.296 1.00 0.00 H new ATOM 0 HB ILE X 44 70.397 7.976 3.722 1.00 0.00 H new ATOM 0 HG12 ILE X 44 69.545 6.864 1.036 1.00 0.00 H new ATOM 0 HG13 ILE X 44 70.687 6.152 2.159 1.00 0.00 H new ATOM 0 HG21 ILE X 44 67.989 8.396 3.316 1.00 0.00 H new ATOM 0 HG22 ILE X 44 68.937 9.899 3.221 1.00 0.00 H new ATOM 0 HG23 ILE X 44 68.384 9.100 1.730 1.00 0.00 H new ATOM 0 HD11 ILE X 44 68.544 5.007 2.244 1.00 0.00 H new ATOM 0 HD12 ILE X 44 68.886 5.810 3.794 1.00 0.00 H new ATOM 0 HD13 ILE X 44 67.727 6.533 2.654 1.00 0.00 H new ATOM 696 N THR X 45 72.842 7.369 1.164 1.00 0.00 N ATOM 697 CA THR X 45 74.121 6.709 1.235 1.00 0.00 C ATOM 698 C THR X 45 75.223 7.519 0.566 1.00 0.00 C ATOM 699 O THR X 45 76.390 7.476 0.997 1.00 0.00 O ATOM 700 CB THR X 45 74.057 5.304 0.621 1.00 0.00 C ATOM 701 OG1 THR X 45 73.625 5.390 -0.746 1.00 0.00 O ATOM 702 CG2 THR X 45 73.080 4.442 1.389 1.00 0.00 C ATOM 0 H THR X 45 72.255 7.078 0.382 1.00 0.00 H new ATOM 0 HA THR X 45 74.366 6.620 2.293 1.00 0.00 H new ATOM 0 HB THR X 45 75.051 4.859 0.669 1.00 0.00 H new ATOM 0 HG1 THR X 45 72.676 5.153 -0.805 1.00 0.00 H new ATOM 0 HG21 THR X 45 73.044 3.448 0.944 1.00 0.00 H new ATOM 0 HG22 THR X 45 73.403 4.363 2.427 1.00 0.00 H new ATOM 0 HG23 THR X 45 72.089 4.893 1.351 1.00 0.00 H new ATOM 710 N GLU X 46 74.842 8.234 -0.503 1.00 0.00 N ATOM 711 CA GLU X 46 75.742 9.009 -1.344 1.00 0.00 C ATOM 712 C GLU X 46 76.835 8.122 -1.899 1.00 0.00 C ATOM 713 O GLU X 46 77.970 8.542 -2.144 1.00 0.00 O ATOM 714 CB GLU X 46 76.256 10.234 -0.610 1.00 0.00 C ATOM 715 CG GLU X 46 75.206 11.322 -0.451 1.00 0.00 C ATOM 716 CD GLU X 46 74.764 11.915 -1.775 1.00 0.00 C ATOM 717 OE1 GLU X 46 75.392 12.886 -2.241 1.00 0.00 O ATOM 718 OE2 GLU X 46 73.756 11.450 -2.363 1.00 0.00 O ATOM 0 H GLU X 46 73.870 8.285 -0.808 1.00 0.00 H new ATOM 0 HA GLU X 46 75.194 9.395 -2.204 1.00 0.00 H new ATOM 0 HB2 GLU X 46 76.613 9.936 0.376 1.00 0.00 H new ATOM 0 HB3 GLU X 46 77.112 10.640 -1.149 1.00 0.00 H new ATOM 0 HG2 GLU X 46 74.338 10.910 0.064 1.00 0.00 H new ATOM 0 HG3 GLU X 46 75.605 12.115 0.181 1.00 0.00 H new ATOM 725 N HIS X 47 76.452 6.889 -2.144 1.00 0.00 N ATOM 726 CA HIS X 47 77.329 5.907 -2.680 1.00 0.00 C ATOM 727 C HIS X 47 77.400 6.139 -4.190 1.00 0.00 C ATOM 728 O HIS X 47 76.367 6.279 -4.827 1.00 0.00 O ATOM 729 CB HIS X 47 76.778 4.498 -2.374 1.00 0.00 C ATOM 730 CG HIS X 47 77.775 3.401 -2.586 1.00 0.00 C ATOM 731 ND1 HIS X 47 77.913 2.675 -3.746 1.00 0.00 N ATOM 732 CD2 HIS X 47 78.729 2.950 -1.760 1.00 0.00 C ATOM 733 CE1 HIS X 47 78.944 1.839 -3.584 1.00 0.00 C ATOM 734 NE2 HIS X 47 79.468 1.965 -2.397 1.00 0.00 N ATOM 0 H HIS X 47 75.506 6.549 -1.969 1.00 0.00 H new ATOM 0 HA HIS X 47 78.323 5.982 -2.239 1.00 0.00 H new ATOM 0 HB2 HIS X 47 76.434 4.469 -1.340 1.00 0.00 H new ATOM 0 HB3 HIS X 47 75.908 4.313 -3.005 1.00 0.00 H new ATOM 0 HD2 HIS X 47 78.897 3.300 -0.752 1.00 0.00 H new ATOM 0 HE1 HIS X 47 79.296 1.150 -4.337 1.00 0.00 H new ATOM 0 HE2 HIS X 47 80.259 1.446 -2.015 1.00 0.00 H new ATOM 742 N PRO X 48 78.600 6.124 -4.800 1.00 0.00 N ATOM 743 CA PRO X 48 78.783 6.432 -6.241 1.00 0.00 C ATOM 744 C PRO X 48 78.180 5.394 -7.126 1.00 0.00 C ATOM 745 O PRO X 48 78.001 5.591 -8.321 1.00 0.00 O ATOM 746 CB PRO X 48 80.282 6.341 -6.436 1.00 0.00 C ATOM 747 CG PRO X 48 80.877 6.398 -5.101 1.00 0.00 C ATOM 748 CD PRO X 48 79.876 5.791 -4.175 1.00 0.00 C ATOM 0 HA PRO X 48 78.324 7.389 -6.488 1.00 0.00 H new ATOM 0 HB2 PRO X 48 80.552 5.414 -6.942 1.00 0.00 H new ATOM 0 HB3 PRO X 48 80.643 7.161 -7.057 1.00 0.00 H new ATOM 0 HG2 PRO X 48 81.819 5.850 -5.070 1.00 0.00 H new ATOM 0 HG3 PRO X 48 81.098 7.427 -4.816 1.00 0.00 H new ATOM 0 HD2 PRO X 48 80.012 4.713 -4.086 1.00 0.00 H new ATOM 0 HD3 PRO X 48 79.953 6.206 -3.170 1.00 0.00 H new ATOM 756 N ASP X 49 77.831 4.311 -6.534 1.00 0.00 N ATOM 757 CA ASP X 49 77.408 3.187 -7.246 1.00 0.00 C ATOM 758 C ASP X 49 76.129 2.768 -6.603 1.00 0.00 C ATOM 759 O ASP X 49 75.796 1.603 -6.587 1.00 0.00 O ATOM 760 CB ASP X 49 78.420 2.021 -7.136 1.00 0.00 C ATOM 761 CG ASP X 49 79.846 2.365 -7.514 1.00 0.00 C ATOM 762 OD1 ASP X 49 80.126 2.614 -8.713 1.00 0.00 O ATOM 763 OD2 ASP X 49 80.719 2.353 -6.628 1.00 0.00 O ATOM 0 H ASP X 49 77.835 4.190 -5.521 1.00 0.00 H new ATOM 0 HA ASP X 49 77.304 3.427 -8.304 1.00 0.00 H new ATOM 0 HB2 ASP X 49 78.412 1.650 -6.111 1.00 0.00 H new ATOM 0 HB3 ASP X 49 78.079 1.205 -7.773 1.00 0.00 H new ATOM 768 N GLY X 50 75.437 3.762 -6.035 1.00 0.00 N ATOM 769 CA GLY X 50 74.209 3.568 -5.282 1.00 0.00 C ATOM 770 C GLY X 50 73.272 2.663 -5.917 1.00 0.00 C ATOM 771 O GLY X 50 73.025 1.572 -5.426 1.00 0.00 O ATOM 0 H GLY X 50 75.726 4.739 -6.091 1.00 0.00 H new ATOM 0 HA2 GLY X 50 74.457 3.184 -4.292 1.00 0.00 H new ATOM 0 HA3 GLY X 50 73.726 4.534 -5.137 1.00 0.00 H new ATOM 775 N THR X 51 72.828 3.016 -7.030 1.00 0.00 N ATOM 776 CA THR X 51 71.798 2.224 -7.600 1.00 0.00 C ATOM 777 C THR X 51 72.366 0.928 -8.218 1.00 0.00 C ATOM 778 O THR X 51 71.687 -0.098 -8.263 1.00 0.00 O ATOM 779 CB THR X 51 70.907 3.013 -8.548 1.00 0.00 C ATOM 780 OG1 THR X 51 70.697 4.335 -7.976 1.00 0.00 O ATOM 781 CG2 THR X 51 69.561 2.318 -8.611 1.00 0.00 C ATOM 0 H THR X 51 73.135 3.823 -7.573 1.00 0.00 H new ATOM 0 HA THR X 51 71.136 1.915 -6.791 1.00 0.00 H new ATOM 0 HB THR X 51 71.360 3.083 -9.537 1.00 0.00 H new ATOM 0 HG1 THR X 51 70.126 4.863 -8.572 1.00 0.00 H new ATOM 0 HG21 THR X 51 68.901 2.864 -9.285 1.00 0.00 H new ATOM 0 HG22 THR X 51 69.694 1.300 -8.978 1.00 0.00 H new ATOM 0 HG23 THR X 51 69.119 2.290 -7.615 1.00 0.00 H new ATOM 789 N ALA X 52 73.650 0.960 -8.578 1.00 0.00 N ATOM 790 CA ALA X 52 74.349 -0.213 -9.079 1.00 0.00 C ATOM 791 C ALA X 52 74.398 -1.280 -8.013 1.00 0.00 C ATOM 792 O ALA X 52 74.272 -2.451 -8.325 1.00 0.00 O ATOM 793 CB ALA X 52 75.748 0.144 -9.556 1.00 0.00 C ATOM 0 H ALA X 52 74.228 1.799 -8.529 1.00 0.00 H new ATOM 0 HA ALA X 52 73.800 -0.602 -9.937 1.00 0.00 H new ATOM 0 HB1 ALA X 52 76.246 -0.752 -9.925 1.00 0.00 H new ATOM 0 HB2 ALA X 52 75.682 0.879 -10.358 1.00 0.00 H new ATOM 0 HB3 ALA X 52 76.319 0.562 -8.727 1.00 0.00 H new ATOM 799 N LEU X 53 74.521 -0.864 -6.744 1.00 0.00 N ATOM 800 CA LEU X 53 74.515 -1.805 -5.625 1.00 0.00 C ATOM 801 C LEU X 53 73.213 -2.517 -5.544 1.00 0.00 C ATOM 802 O LEU X 53 73.166 -3.700 -5.261 1.00 0.00 O ATOM 803 CB LEU X 53 74.790 -1.152 -4.283 1.00 0.00 C ATOM 804 CG LEU X 53 76.142 -0.506 -4.085 1.00 0.00 C ATOM 805 CD1 LEU X 53 76.303 -0.139 -2.639 1.00 0.00 C ATOM 806 CD2 LEU X 53 77.267 -1.416 -4.549 1.00 0.00 C ATOM 0 H LEU X 53 74.625 0.114 -6.472 1.00 0.00 H new ATOM 0 HA LEU X 53 75.326 -2.504 -5.829 1.00 0.00 H new ATOM 0 HB2 LEU X 53 74.027 -0.392 -4.116 1.00 0.00 H new ATOM 0 HB3 LEU X 53 74.662 -1.908 -3.508 1.00 0.00 H new ATOM 0 HG LEU X 53 76.196 0.397 -4.694 1.00 0.00 H new ATOM 0 HD11 LEU X 53 77.276 0.328 -2.488 1.00 0.00 H new ATOM 0 HD12 LEU X 53 75.517 0.559 -2.351 1.00 0.00 H new ATOM 0 HD13 LEU X 53 76.232 -1.037 -2.026 1.00 0.00 H new ATOM 0 HD21 LEU X 53 78.225 -0.920 -4.392 1.00 0.00 H new ATOM 0 HD22 LEU X 53 77.242 -2.345 -3.979 1.00 0.00 H new ATOM 0 HD23 LEU X 53 77.142 -1.637 -5.609 1.00 0.00 H new ATOM 818 N ILE X 54 72.157 -1.801 -5.824 1.00 0.00 N ATOM 819 CA ILE X 54 70.840 -2.391 -5.802 1.00 0.00 C ATOM 820 C ILE X 54 70.745 -3.408 -6.912 1.00 0.00 C ATOM 821 O ILE X 54 70.285 -4.516 -6.714 1.00 0.00 O ATOM 822 CB ILE X 54 69.735 -1.316 -5.941 1.00 0.00 C ATOM 823 CG1 ILE X 54 69.490 -0.618 -4.599 1.00 0.00 C ATOM 824 CG2 ILE X 54 68.431 -1.911 -6.490 1.00 0.00 C ATOM 825 CD1 ILE X 54 68.737 0.675 -4.735 1.00 0.00 C ATOM 0 H ILE X 54 72.180 -0.811 -6.070 1.00 0.00 H new ATOM 0 HA ILE X 54 70.685 -2.881 -4.841 1.00 0.00 H new ATOM 0 HB ILE X 54 70.085 -0.575 -6.660 1.00 0.00 H new ATOM 0 HG12 ILE X 54 68.933 -1.288 -3.944 1.00 0.00 H new ATOM 0 HG13 ILE X 54 70.448 -0.424 -4.117 1.00 0.00 H new ATOM 0 HG21 ILE X 54 67.680 -1.126 -6.573 1.00 0.00 H new ATOM 0 HG22 ILE X 54 68.614 -2.344 -7.473 1.00 0.00 H new ATOM 0 HG23 ILE X 54 68.072 -2.687 -5.814 1.00 0.00 H new ATOM 0 HD11 ILE X 54 68.596 1.119 -3.750 1.00 0.00 H new ATOM 0 HD12 ILE X 54 69.303 1.361 -5.365 1.00 0.00 H new ATOM 0 HD13 ILE X 54 67.765 0.484 -5.189 1.00 0.00 H new ATOM 837 N TYR X 55 71.241 -3.024 -8.055 1.00 0.00 N ATOM 838 CA TYR X 55 71.231 -3.858 -9.213 1.00 0.00 C ATOM 839 C TYR X 55 72.046 -5.136 -9.042 1.00 0.00 C ATOM 840 O TYR X 55 71.565 -6.227 -9.407 1.00 0.00 O ATOM 841 CB TYR X 55 71.620 -3.068 -10.444 1.00 0.00 C ATOM 842 CG TYR X 55 70.477 -2.235 -10.985 1.00 0.00 C ATOM 843 CD1 TYR X 55 69.384 -2.847 -11.581 1.00 0.00 C ATOM 844 CD2 TYR X 55 70.470 -0.857 -10.876 1.00 0.00 C ATOM 845 CE1 TYR X 55 68.320 -2.108 -12.046 1.00 0.00 C ATOM 846 CE2 TYR X 55 69.412 -0.107 -11.346 1.00 0.00 C ATOM 847 CZ TYR X 55 68.338 -0.736 -11.926 1.00 0.00 C ATOM 848 OH TYR X 55 67.266 0.006 -12.372 1.00 0.00 O ATOM 0 H TYR X 55 71.668 -2.110 -8.205 1.00 0.00 H new ATOM 0 HA TYR X 55 70.207 -4.203 -9.354 1.00 0.00 H new ATOM 0 HB2 TYR X 55 72.458 -2.415 -10.202 1.00 0.00 H new ATOM 0 HB3 TYR X 55 71.963 -3.754 -11.218 1.00 0.00 H new ATOM 0 HD1 TYR X 55 69.368 -3.922 -11.682 1.00 0.00 H new ATOM 0 HD2 TYR X 55 71.309 -0.358 -10.414 1.00 0.00 H new ATOM 0 HE1 TYR X 55 67.475 -2.602 -12.503 1.00 0.00 H new ATOM 0 HE2 TYR X 55 69.428 0.969 -11.258 1.00 0.00 H new ATOM 0 HH TYR X 55 67.438 0.958 -12.212 1.00 0.00 H new ATOM 858 N GLU X 56 73.244 -5.030 -8.479 1.00 0.00 N ATOM 859 CA GLU X 56 74.037 -6.218 -8.218 1.00 0.00 C ATOM 860 C GLU X 56 73.416 -7.067 -7.133 1.00 0.00 C ATOM 861 O GLU X 56 73.237 -8.269 -7.326 1.00 0.00 O ATOM 862 CB GLU X 56 75.526 -5.919 -7.916 1.00 0.00 C ATOM 863 CG GLU X 56 75.803 -4.722 -7.018 1.00 0.00 C ATOM 864 CD GLU X 56 77.273 -4.556 -6.691 1.00 0.00 C ATOM 865 OE1 GLU X 56 78.029 -4.027 -7.529 1.00 0.00 O ATOM 866 OE2 GLU X 56 77.707 -4.958 -5.591 1.00 0.00 O ATOM 0 H GLU X 56 73.678 -4.150 -8.200 1.00 0.00 H new ATOM 0 HA GLU X 56 74.031 -6.788 -9.147 1.00 0.00 H new ATOM 0 HB2 GLU X 56 75.966 -6.803 -7.454 1.00 0.00 H new ATOM 0 HB3 GLU X 56 76.043 -5.764 -8.863 1.00 0.00 H new ATOM 0 HG2 GLU X 56 75.440 -3.817 -7.506 1.00 0.00 H new ATOM 0 HG3 GLU X 56 75.240 -4.832 -6.091 1.00 0.00 H new ATOM 873 N ALA X 57 73.008 -6.438 -6.039 1.00 0.00 N ATOM 874 CA ALA X 57 72.425 -7.164 -4.921 1.00 0.00 C ATOM 875 C ALA X 57 71.151 -7.877 -5.327 1.00 0.00 C ATOM 876 O ALA X 57 70.944 -9.007 -4.948 1.00 0.00 O ATOM 877 CB ALA X 57 72.172 -6.252 -3.737 1.00 0.00 C ATOM 0 H ALA X 57 73.070 -5.429 -5.903 1.00 0.00 H new ATOM 0 HA ALA X 57 73.151 -7.918 -4.616 1.00 0.00 H new ATOM 0 HB1 ALA X 57 71.736 -6.828 -2.921 1.00 0.00 H new ATOM 0 HB2 ALA X 57 73.114 -5.812 -3.409 1.00 0.00 H new ATOM 0 HB3 ALA X 57 71.484 -5.459 -4.029 1.00 0.00 H new ATOM 1025 N GLY X 71 71.533 -10.070 -1.210 1.00 0.00 N ATOM 1026 CA GLY X 71 70.291 -9.898 -0.593 1.00 0.00 C ATOM 1027 C GLY X 71 70.200 -8.538 -0.036 1.00 0.00 C ATOM 1028 O GLY X 71 71.217 -7.832 0.028 1.00 0.00 O ATOM 0 HA2 GLY X 71 69.490 -10.061 -1.314 1.00 0.00 H new ATOM 0 HA3 GLY X 71 70.162 -10.636 0.199 1.00 0.00 H new ATOM 1032 N PRO X 72 69.019 -8.143 0.395 1.00 0.00 N ATOM 1033 CA PRO X 72 68.770 -6.828 0.948 1.00 0.00 C ATOM 1034 C PRO X 72 69.651 -6.546 2.142 1.00 0.00 C ATOM 1035 O PRO X 72 70.228 -5.489 2.261 1.00 0.00 O ATOM 1036 CB PRO X 72 67.298 -6.860 1.347 1.00 0.00 C ATOM 1037 CG PRO X 72 66.889 -8.294 1.298 1.00 0.00 C ATOM 1038 CD PRO X 72 67.805 -8.958 0.332 1.00 0.00 C ATOM 0 HA PRO X 72 68.994 -6.036 0.233 1.00 0.00 H new ATOM 0 HB2 PRO X 72 67.156 -6.448 2.346 1.00 0.00 H new ATOM 0 HB3 PRO X 72 66.696 -6.259 0.665 1.00 0.00 H new ATOM 0 HG2 PRO X 72 66.964 -8.753 2.284 1.00 0.00 H new ATOM 0 HG3 PRO X 72 65.851 -8.391 0.979 1.00 0.00 H new ATOM 0 HD2 PRO X 72 68.002 -9.993 0.612 1.00 0.00 H new ATOM 0 HD3 PRO X 72 67.384 -8.974 -0.673 1.00 0.00 H new ATOM 1046 N GLU X 73 69.821 -7.527 2.970 1.00 0.00 N ATOM 1047 CA GLU X 73 70.629 -7.390 4.156 1.00 0.00 C ATOM 1048 C GLU X 73 72.135 -7.368 3.833 1.00 0.00 C ATOM 1049 O GLU X 73 72.968 -7.261 4.728 1.00 0.00 O ATOM 1050 CB GLU X 73 70.272 -8.470 5.157 1.00 0.00 C ATOM 1051 CG GLU X 73 68.787 -8.517 5.495 1.00 0.00 C ATOM 1052 CD GLU X 73 68.419 -9.651 6.432 1.00 0.00 C ATOM 1053 OE1 GLU X 73 69.314 -10.371 6.895 1.00 0.00 O ATOM 1054 OE2 GLU X 73 67.207 -9.859 6.709 1.00 0.00 O ATOM 0 H GLU X 73 69.406 -8.451 2.849 1.00 0.00 H new ATOM 0 HA GLU X 73 70.408 -6.423 4.609 1.00 0.00 H new ATOM 0 HB2 GLU X 73 70.577 -9.438 4.760 1.00 0.00 H new ATOM 0 HB3 GLU X 73 70.840 -8.308 6.073 1.00 0.00 H new ATOM 0 HG2 GLU X 73 68.495 -7.570 5.950 1.00 0.00 H new ATOM 0 HG3 GLU X 73 68.215 -8.617 4.573 1.00 0.00 H new ATOM 1061 N GLY X 74 72.472 -7.457 2.575 1.00 0.00 N ATOM 1062 CA GLY X 74 73.850 -7.350 2.208 1.00 0.00 C ATOM 1063 C GLY X 74 74.169 -6.053 1.502 1.00 0.00 C ATOM 1064 O GLY X 74 75.332 -5.652 1.447 1.00 0.00 O ATOM 0 H GLY X 74 71.822 -7.601 1.802 1.00 0.00 H new ATOM 0 HA2 GLY X 74 74.467 -7.433 3.103 1.00 0.00 H new ATOM 0 HA3 GLY X 74 74.115 -8.186 1.560 1.00 0.00 H new ATOM 1068 N ILE X 75 73.143 -5.367 0.992 1.00 0.00 N ATOM 1069 CA ILE X 75 73.358 -4.082 0.293 1.00 0.00 C ATOM 1070 C ILE X 75 73.819 -3.063 1.324 1.00 0.00 C ATOM 1071 O ILE X 75 74.730 -2.276 1.105 1.00 0.00 O ATOM 1072 CB ILE X 75 72.059 -3.525 -0.363 1.00 0.00 C ATOM 1073 CG1 ILE X 75 71.045 -4.650 -0.637 1.00 0.00 C ATOM 1074 CG2 ILE X 75 72.408 -2.781 -1.651 1.00 0.00 C ATOM 1075 CD1 ILE X 75 69.801 -4.227 -1.409 1.00 0.00 C ATOM 0 H ILE X 75 72.169 -5.666 1.044 1.00 0.00 H new ATOM 0 HA ILE X 75 74.090 -4.253 -0.497 1.00 0.00 H new ATOM 0 HB ILE X 75 71.592 -2.828 0.332 1.00 0.00 H new ATOM 0 HG12 ILE X 75 71.546 -5.442 -1.193 1.00 0.00 H new ATOM 0 HG13 ILE X 75 70.734 -5.077 0.316 1.00 0.00 H new ATOM 0 HG21 ILE X 75 71.496 -2.394 -2.106 1.00 0.00 H new ATOM 0 HG22 ILE X 75 73.080 -1.953 -1.423 1.00 0.00 H new ATOM 0 HG23 ILE X 75 72.897 -3.465 -2.345 1.00 0.00 H new ATOM 0 HD11 ILE X 75 69.150 -5.090 -1.551 1.00 0.00 H new ATOM 0 HD12 ILE X 75 69.268 -3.459 -0.848 1.00 0.00 H new ATOM 0 HD13 ILE X 75 70.094 -3.829 -2.381 1.00 0.00 H new ATOM 1087 N VAL X 76 73.164 -3.130 2.460 1.00 0.00 N ATOM 1088 CA VAL X 76 73.448 -2.307 3.641 1.00 0.00 C ATOM 1089 C VAL X 76 74.872 -2.452 4.089 1.00 0.00 C ATOM 1090 O VAL X 76 75.555 -1.472 4.391 1.00 0.00 O ATOM 1091 CB VAL X 76 72.488 -2.707 4.785 1.00 0.00 C ATOM 1092 CG1 VAL X 76 72.257 -4.186 4.867 1.00 0.00 C ATOM 1093 CG2 VAL X 76 72.800 -2.068 6.136 1.00 0.00 C ATOM 0 H VAL X 76 72.389 -3.778 2.605 1.00 0.00 H new ATOM 0 HA VAL X 76 73.294 -1.261 3.374 1.00 0.00 H new ATOM 0 HB VAL X 76 71.532 -2.267 4.501 1.00 0.00 H new ATOM 0 HG11 VAL X 76 71.575 -4.403 5.689 1.00 0.00 H new ATOM 0 HG12 VAL X 76 71.822 -4.539 3.932 1.00 0.00 H new ATOM 0 HG13 VAL X 76 73.206 -4.693 5.040 1.00 0.00 H new ATOM 0 HG21 VAL X 76 72.074 -2.407 6.875 1.00 0.00 H new ATOM 0 HG22 VAL X 76 73.802 -2.357 6.452 1.00 0.00 H new ATOM 0 HG23 VAL X 76 72.746 -0.983 6.046 1.00 0.00 H new ATOM 1103 N LYS X 77 75.297 -3.665 4.111 1.00 0.00 N ATOM 1104 CA LYS X 77 76.651 -4.018 4.490 1.00 0.00 C ATOM 1105 C LYS X 77 77.658 -3.311 3.583 1.00 0.00 C ATOM 1106 O LYS X 77 78.595 -2.685 4.066 1.00 0.00 O ATOM 1107 CB LYS X 77 76.850 -5.516 4.380 1.00 0.00 C ATOM 1108 CG LYS X 77 78.214 -6.005 4.836 1.00 0.00 C ATOM 1109 CD LYS X 77 78.407 -7.451 4.461 1.00 0.00 C ATOM 1110 CE LYS X 77 78.661 -7.624 2.960 1.00 0.00 C ATOM 1111 NZ LYS X 77 79.979 -7.092 2.535 1.00 0.00 N ATOM 0 H LYS X 77 74.716 -4.466 3.865 1.00 0.00 H new ATOM 0 HA LYS X 77 76.811 -3.704 5.521 1.00 0.00 H new ATOM 0 HB2 LYS X 77 76.083 -6.016 4.971 1.00 0.00 H new ATOM 0 HB3 LYS X 77 76.699 -5.815 3.343 1.00 0.00 H new ATOM 0 HG2 LYS X 77 78.996 -5.397 4.381 1.00 0.00 H new ATOM 0 HG3 LYS X 77 78.307 -5.887 5.916 1.00 0.00 H new ATOM 0 HD2 LYS X 77 79.247 -7.862 5.021 1.00 0.00 H new ATOM 0 HD3 LYS X 77 77.523 -8.021 4.748 1.00 0.00 H new ATOM 0 HE2 LYS X 77 78.602 -8.682 2.706 1.00 0.00 H new ATOM 0 HE3 LYS X 77 77.873 -7.118 2.402 1.00 0.00 H new ATOM 0 HZ1 LYS X 77 80.119 -7.281 1.522 1.00 0.00 H new ATOM 0 HZ2 LYS X 77 80.010 -6.066 2.704 1.00 0.00 H new ATOM 0 HZ3 LYS X 77 80.733 -7.556 3.081 1.00 0.00 H new ATOM 1125 N GLU X 78 77.417 -3.379 2.277 1.00 0.00 N ATOM 1126 CA GLU X 78 78.285 -2.746 1.283 1.00 0.00 C ATOM 1127 C GLU X 78 78.372 -1.229 1.560 1.00 0.00 C ATOM 1128 O GLU X 78 79.435 -0.608 1.428 1.00 0.00 O ATOM 1129 CB GLU X 78 77.738 -3.029 -0.138 1.00 0.00 C ATOM 1130 CG GLU X 78 78.600 -2.519 -1.280 1.00 0.00 C ATOM 1131 CD GLU X 78 79.950 -3.173 -1.347 1.00 0.00 C ATOM 1132 OE1 GLU X 78 80.057 -4.292 -1.884 1.00 0.00 O ATOM 1133 OE2 GLU X 78 80.934 -2.578 -0.884 1.00 0.00 O ATOM 0 H GLU X 78 76.619 -3.872 1.877 1.00 0.00 H new ATOM 0 HA GLU X 78 79.291 -3.161 1.350 1.00 0.00 H new ATOM 0 HB2 GLU X 78 77.612 -4.106 -0.253 1.00 0.00 H new ATOM 0 HB3 GLU X 78 76.748 -2.581 -0.224 1.00 0.00 H new ATOM 0 HG2 GLU X 78 78.077 -2.685 -2.222 1.00 0.00 H new ATOM 0 HG3 GLU X 78 78.731 -1.442 -1.173 1.00 0.00 H new ATOM 1140 N ILE X 79 77.258 -0.662 2.001 1.00 0.00 N ATOM 1141 CA ILE X 79 77.193 0.751 2.326 1.00 0.00 C ATOM 1142 C ILE X 79 77.978 1.066 3.595 1.00 0.00 C ATOM 1143 O ILE X 79 78.755 2.020 3.621 1.00 0.00 O ATOM 1144 CB ILE X 79 75.726 1.254 2.506 1.00 0.00 C ATOM 1145 CG1 ILE X 79 74.899 1.031 1.225 1.00 0.00 C ATOM 1146 CG2 ILE X 79 75.713 2.723 2.906 1.00 0.00 C ATOM 1147 CD1 ILE X 79 75.387 1.803 0.023 1.00 0.00 C ATOM 0 H ILE X 79 76.382 -1.166 2.142 1.00 0.00 H new ATOM 0 HA ILE X 79 77.638 1.272 1.478 1.00 0.00 H new ATOM 0 HB ILE X 79 75.265 0.672 3.305 1.00 0.00 H new ATOM 0 HG12 ILE X 79 74.904 -0.032 0.985 1.00 0.00 H new ATOM 0 HG13 ILE X 79 73.864 1.308 1.423 1.00 0.00 H new ATOM 0 HG21 ILE X 79 74.683 3.058 3.027 1.00 0.00 H new ATOM 0 HG22 ILE X 79 76.249 2.849 3.847 1.00 0.00 H new ATOM 0 HG23 ILE X 79 76.198 3.316 2.130 1.00 0.00 H new ATOM 0 HD11 ILE X 79 74.747 1.586 -0.833 1.00 0.00 H new ATOM 0 HD12 ILE X 79 75.355 2.871 0.239 1.00 0.00 H new ATOM 0 HD13 ILE X 79 76.411 1.510 -0.206 1.00 0.00 H new ATOM 1159 N LYS X 80 77.801 0.259 4.633 1.00 0.00 N ATOM 1160 CA LYS X 80 78.454 0.525 5.910 1.00 0.00 C ATOM 1161 C LYS X 80 79.969 0.428 5.765 1.00 0.00 C ATOM 1162 O LYS X 80 80.713 1.196 6.374 1.00 0.00 O ATOM 1163 CB LYS X 80 77.919 -0.378 7.057 1.00 0.00 C ATOM 1164 CG LYS X 80 78.398 -1.809 7.069 1.00 0.00 C ATOM 1165 CD LYS X 80 77.703 -2.587 8.171 1.00 0.00 C ATOM 1166 CE LYS X 80 78.290 -3.973 8.345 1.00 0.00 C ATOM 1167 NZ LYS X 80 79.671 -3.929 8.874 1.00 0.00 N ATOM 0 H LYS X 80 77.217 -0.577 4.618 1.00 0.00 H new ATOM 0 HA LYS X 80 78.205 1.546 6.198 1.00 0.00 H new ATOM 0 HB2 LYS X 80 78.192 0.081 8.007 1.00 0.00 H new ATOM 0 HB3 LYS X 80 76.830 -0.383 7.007 1.00 0.00 H new ATOM 0 HG2 LYS X 80 78.198 -2.275 6.104 1.00 0.00 H new ATOM 0 HG3 LYS X 80 79.477 -1.837 7.219 1.00 0.00 H new ATOM 0 HD2 LYS X 80 77.785 -2.038 9.109 1.00 0.00 H new ATOM 0 HD3 LYS X 80 76.641 -2.669 7.942 1.00 0.00 H new ATOM 0 HE2 LYS X 80 77.661 -4.550 9.022 1.00 0.00 H new ATOM 0 HE3 LYS X 80 78.286 -4.491 7.386 1.00 0.00 H new ATOM 0 HZ1 LYS X 80 79.948 -4.877 9.200 1.00 0.00 H new ATOM 0 HZ2 LYS X 80 80.320 -3.617 8.124 1.00 0.00 H new ATOM 0 HZ3 LYS X 80 79.716 -3.262 9.671 1.00 0.00 H new ATOM 1181 N GLU X 81 80.412 -0.491 4.927 1.00 0.00 N ATOM 1182 CA GLU X 81 81.818 -0.682 4.678 1.00 0.00 C ATOM 1183 C GLU X 81 82.402 0.503 3.909 1.00 0.00 C ATOM 1184 O GLU X 81 83.506 0.958 4.206 1.00 0.00 O ATOM 1185 CB GLU X 81 82.053 -1.989 3.940 1.00 0.00 C ATOM 1186 CG GLU X 81 81.566 -3.208 4.705 1.00 0.00 C ATOM 1187 CD GLU X 81 81.736 -4.484 3.936 1.00 0.00 C ATOM 1188 OE1 GLU X 81 81.016 -4.700 2.941 1.00 0.00 O ATOM 1189 OE2 GLU X 81 82.610 -5.302 4.291 1.00 0.00 O ATOM 0 H GLU X 81 79.804 -1.122 4.404 1.00 0.00 H new ATOM 0 HA GLU X 81 82.334 -0.738 5.637 1.00 0.00 H new ATOM 0 HB2 GLU X 81 81.548 -1.949 2.975 1.00 0.00 H new ATOM 0 HB3 GLU X 81 83.119 -2.097 3.738 1.00 0.00 H new ATOM 0 HG2 GLU X 81 82.110 -3.282 5.646 1.00 0.00 H new ATOM 0 HG3 GLU X 81 80.513 -3.077 4.955 1.00 0.00 H new ATOM 1196 N TRP X 82 81.642 1.016 2.960 1.00 0.00 N ATOM 1197 CA TRP X 82 82.055 2.160 2.154 1.00 0.00 C ATOM 1198 C TRP X 82 82.116 3.392 3.006 1.00 0.00 C ATOM 1199 O TRP X 82 83.082 4.153 2.973 1.00 0.00 O ATOM 1200 CB TRP X 82 81.023 2.433 1.086 1.00 0.00 C ATOM 1201 CG TRP X 82 81.457 3.448 0.070 1.00 0.00 C ATOM 1202 CD1 TRP X 82 82.234 3.216 -1.017 1.00 0.00 C ATOM 1203 CD2 TRP X 82 81.119 4.847 0.034 1.00 0.00 C ATOM 1204 NE1 TRP X 82 82.406 4.371 -1.726 1.00 0.00 N ATOM 1205 CE2 TRP X 82 81.735 5.387 -1.107 1.00 0.00 C ATOM 1206 CE3 TRP X 82 80.362 5.690 0.853 1.00 0.00 C ATOM 1207 CZ2 TRP X 82 81.618 6.727 -1.456 1.00 0.00 C ATOM 1208 CZ3 TRP X 82 80.245 7.021 0.508 1.00 0.00 C ATOM 1209 CH2 TRP X 82 80.871 7.529 -0.638 1.00 0.00 C ATOM 0 H TRP X 82 80.719 0.654 2.722 1.00 0.00 H new ATOM 0 HA TRP X 82 83.028 1.930 1.720 1.00 0.00 H new ATOM 0 HB2 TRP X 82 80.787 1.500 0.575 1.00 0.00 H new ATOM 0 HB3 TRP X 82 80.105 2.778 1.561 1.00 0.00 H new ATOM 0 HD1 TRP X 82 82.655 2.258 -1.283 1.00 0.00 H new ATOM 0 HE1 TRP X 82 82.951 4.461 -2.584 1.00 0.00 H new ATOM 0 HE3 TRP X 82 79.878 5.307 1.739 1.00 0.00 H new ATOM 0 HZ2 TRP X 82 82.099 7.120 -2.340 1.00 0.00 H new ATOM 0 HZ3 TRP X 82 79.661 7.682 1.132 1.00 0.00 H new ATOM 0 HH2 TRP X 82 80.761 8.576 -0.880 1.00 0.00 H new ATOM 1220 N ARG X 83 81.065 3.571 3.768 1.00 0.00 N ATOM 1221 CA ARG X 83 80.860 4.738 4.572 1.00 0.00 C ATOM 1222 C ARG X 83 81.991 4.858 5.581 1.00 0.00 C ATOM 1223 O ARG X 83 82.574 5.928 5.743 1.00 0.00 O ATOM 1224 CB ARG X 83 79.553 4.588 5.316 1.00 0.00 C ATOM 1225 CG ARG X 83 78.936 5.868 5.776 1.00 0.00 C ATOM 1226 CD ARG X 83 78.302 6.680 4.652 1.00 0.00 C ATOM 1227 NE ARG X 83 77.663 7.889 5.197 1.00 0.00 N ATOM 1228 CZ ARG X 83 77.177 8.927 4.498 1.00 0.00 C ATOM 1229 NH1 ARG X 83 77.156 8.919 3.176 1.00 0.00 N ATOM 1230 NH2 ARG X 83 76.675 9.963 5.140 1.00 0.00 N ATOM 0 H ARG X 83 80.312 2.887 3.844 1.00 0.00 H new ATOM 0 HA ARG X 83 80.836 5.626 3.940 1.00 0.00 H new ATOM 0 HB2 ARG X 83 78.843 4.071 4.671 1.00 0.00 H new ATOM 0 HB3 ARG X 83 79.718 3.950 6.184 1.00 0.00 H new ATOM 0 HG2 ARG X 83 78.176 5.646 6.526 1.00 0.00 H new ATOM 0 HG3 ARG X 83 79.699 6.474 6.265 1.00 0.00 H new ATOM 0 HD2 ARG X 83 79.062 6.959 3.922 1.00 0.00 H new ATOM 0 HD3 ARG X 83 77.563 6.074 4.128 1.00 0.00 H new ATOM 0 HE ARG X 83 77.581 7.944 6.212 1.00 0.00 H new ATOM 0 HH11 ARG X 83 77.514 8.112 2.665 1.00 0.00 H new ATOM 0 HH12 ARG X 83 76.782 9.720 2.667 1.00 0.00 H new ATOM 0 HH21 ARG X 83 76.658 9.972 6.160 1.00 0.00 H new ATOM 0 HH22 ARG X 83 76.304 10.756 4.617 1.00 0.00 H new ATOM 1244 N ALA X 84 82.319 3.742 6.213 1.00 0.00 N ATOM 1245 CA ALA X 84 83.387 3.689 7.192 1.00 0.00 C ATOM 1246 C ALA X 84 84.752 3.909 6.529 1.00 0.00 C ATOM 1247 O ALA X 84 85.593 4.655 7.051 1.00 0.00 O ATOM 1248 CB ALA X 84 83.355 2.358 7.936 1.00 0.00 C ATOM 0 H ALA X 84 81.851 2.849 6.060 1.00 0.00 H new ATOM 0 HA ALA X 84 83.233 4.493 7.912 1.00 0.00 H new ATOM 0 HB1 ALA X 84 84.162 2.331 8.668 1.00 0.00 H new ATOM 0 HB2 ALA X 84 82.398 2.249 8.446 1.00 0.00 H new ATOM 0 HB3 ALA X 84 83.482 1.541 7.226 1.00 0.00 H new ATOM 1254 N ALA X 85 84.947 3.298 5.364 1.00 0.00 N ATOM 1255 CA ALA X 85 86.204 3.407 4.627 1.00 0.00 C ATOM 1256 C ALA X 85 86.426 4.816 4.112 1.00 0.00 C ATOM 1257 O ALA X 85 87.560 5.274 4.002 1.00 0.00 O ATOM 1258 CB ALA X 85 86.241 2.420 3.483 1.00 0.00 C ATOM 0 H ALA X 85 84.244 2.717 4.906 1.00 0.00 H new ATOM 0 HA ALA X 85 87.011 3.171 5.320 1.00 0.00 H new ATOM 0 HB1 ALA X 85 87.186 2.518 2.948 1.00 0.00 H new ATOM 0 HB2 ALA X 85 86.149 1.407 3.874 1.00 0.00 H new ATOM 0 HB3 ALA X 85 85.415 2.622 2.801 1.00 0.00 H new ATOM 1264 N ASN X 86 85.353 5.487 3.759 1.00 0.00 N ATOM 1265 CA ASN X 86 85.432 6.880 3.342 1.00 0.00 C ATOM 1266 C ASN X 86 85.693 7.735 4.573 1.00 0.00 C ATOM 1267 O ASN X 86 86.575 8.594 4.581 1.00 0.00 O ATOM 1268 CB ASN X 86 84.113 7.348 2.691 1.00 0.00 C ATOM 1269 CG ASN X 86 84.190 8.787 2.182 1.00 0.00 C ATOM 1270 OD1 ASN X 86 84.045 9.725 2.947 1.00 0.00 O ATOM 1271 ND2 ASN X 86 84.304 8.970 0.888 1.00 0.00 N ATOM 0 H ASN X 86 84.411 5.095 3.750 1.00 0.00 H new ATOM 0 HA ASN X 86 86.233 6.979 2.610 1.00 0.00 H new ATOM 0 HB2 ASN X 86 83.866 6.685 1.862 1.00 0.00 H new ATOM 0 HB3 ASN X 86 83.304 7.266 3.417 1.00 0.00 H new ATOM 0 HD21 ASN X 86 84.272 9.913 0.502 1.00 0.00 H new ATOM 0 HD22 ASN X 86 84.425 8.169 0.268 1.00 0.00 H new ATOM 1278 N GLY X 87 84.935 7.465 5.612 1.00 0.00 N ATOM 1279 CA GLY X 87 85.036 8.220 6.826 1.00 0.00 C ATOM 1280 C GLY X 87 83.819 9.080 7.013 1.00 0.00 C ATOM 1281 O GLY X 87 83.917 10.244 7.390 1.00 0.00 O ATOM 0 H GLY X 87 84.238 6.720 5.633 1.00 0.00 H new ATOM 0 HA2 GLY X 87 85.144 7.544 7.674 1.00 0.00 H new ATOM 0 HA3 GLY X 87 85.929 8.844 6.800 1.00 0.00 H new ATOM 1285 N LYS X 88 82.667 8.516 6.724 1.00 0.00 N ATOM 1286 CA LYS X 88 81.441 9.183 6.815 1.00 0.00 C ATOM 1287 C LYS X 88 80.582 8.487 7.850 1.00 0.00 C ATOM 1288 O LYS X 88 80.672 7.268 7.986 1.00 0.00 O ATOM 1289 CB LYS X 88 80.776 9.087 5.466 1.00 0.00 C ATOM 1290 CG LYS X 88 81.297 10.032 4.405 1.00 0.00 C ATOM 1291 CD LYS X 88 80.689 9.719 3.040 1.00 0.00 C ATOM 1292 CE LYS X 88 81.208 10.661 1.954 1.00 0.00 C ATOM 1293 NZ LYS X 88 80.821 12.069 2.187 1.00 0.00 N ATOM 0 H LYS X 88 82.584 7.549 6.412 1.00 0.00 H new ATOM 0 HA LYS X 88 81.578 10.225 7.103 1.00 0.00 H new ATOM 0 HB2 LYS X 88 80.884 8.066 5.101 1.00 0.00 H new ATOM 0 HB3 LYS X 88 79.709 9.268 5.594 1.00 0.00 H new ATOM 0 HG2 LYS X 88 81.063 11.060 4.683 1.00 0.00 H new ATOM 0 HG3 LYS X 88 82.383 9.956 4.348 1.00 0.00 H new ATOM 0 HD2 LYS X 88 80.920 8.689 2.768 1.00 0.00 H new ATOM 0 HD3 LYS X 88 79.603 9.797 3.100 1.00 0.00 H new ATOM 0 HE2 LYS X 88 82.295 10.590 1.906 1.00 0.00 H new ATOM 0 HE3 LYS X 88 80.825 10.339 0.986 1.00 0.00 H new ATOM 0 HZ1 LYS X 88 81.095 12.645 1.365 1.00 0.00 H new ATOM 0 HZ2 LYS X 88 79.792 12.128 2.324 1.00 0.00 H new ATOM 0 HZ3 LYS X 88 81.304 12.426 3.036 1.00 0.00 H new ATOM 1307 N PRO X 89 79.769 9.236 8.612 1.00 0.00 N ATOM 1308 CA PRO X 89 78.843 8.642 9.569 1.00 0.00 C ATOM 1309 C PRO X 89 77.793 7.825 8.833 1.00 0.00 C ATOM 1310 O PRO X 89 77.143 8.322 7.895 1.00 0.00 O ATOM 1311 CB PRO X 89 78.196 9.844 10.274 1.00 0.00 C ATOM 1312 CG PRO X 89 78.447 11.009 9.377 1.00 0.00 C ATOM 1313 CD PRO X 89 79.707 10.707 8.620 1.00 0.00 C ATOM 0 HA PRO X 89 79.335 7.969 10.272 1.00 0.00 H new ATOM 0 HB2 PRO X 89 77.128 9.685 10.422 1.00 0.00 H new ATOM 0 HB3 PRO X 89 78.634 10.005 11.259 1.00 0.00 H new ATOM 0 HG2 PRO X 89 77.611 11.158 8.693 1.00 0.00 H new ATOM 0 HG3 PRO X 89 78.554 11.927 9.955 1.00 0.00 H new ATOM 0 HD2 PRO X 89 79.672 11.111 7.608 1.00 0.00 H new ATOM 0 HD3 PRO X 89 80.580 11.141 9.107 1.00 0.00 H new ATOM 1321 N GLY X 90 77.671 6.583 9.193 1.00 0.00 N ATOM 1322 CA GLY X 90 76.735 5.741 8.528 1.00 0.00 C ATOM 1323 C GLY X 90 75.416 5.667 9.221 1.00 0.00 C ATOM 1324 O GLY X 90 74.763 6.698 9.480 1.00 0.00 O ATOM 0 H GLY X 90 78.205 6.137 9.938 1.00 0.00 H new ATOM 0 HA2 GLY X 90 76.585 6.107 7.512 1.00 0.00 H new ATOM 0 HA3 GLY X 90 77.152 4.737 8.447 1.00 0.00 H new ATOM 1328 N PHE X 91 75.060 4.475 9.572 1.00 0.00 N ATOM 1329 CA PHE X 91 73.781 4.173 10.143 1.00 0.00 C ATOM 1330 C PHE X 91 73.799 4.451 11.612 1.00 0.00 C ATOM 1331 O PHE X 91 74.878 4.571 12.224 1.00 0.00 O ATOM 1332 CB PHE X 91 73.454 2.698 9.908 1.00 0.00 C ATOM 1333 CG PHE X 91 73.526 2.315 8.470 1.00 0.00 C ATOM 1334 CD1 PHE X 91 72.536 2.696 7.601 1.00 0.00 C ATOM 1335 CD2 PHE X 91 74.598 1.586 7.980 1.00 0.00 C ATOM 1336 CE1 PHE X 91 72.609 2.365 6.277 1.00 0.00 C ATOM 1337 CE2 PHE X 91 74.666 1.251 6.647 1.00 0.00 C ATOM 1338 CZ PHE X 91 73.672 1.643 5.798 1.00 0.00 C ATOM 0 H PHE X 91 75.664 3.660 9.468 1.00 0.00 H new ATOM 0 HA PHE X 91 73.022 4.797 9.670 1.00 0.00 H new ATOM 0 HB2 PHE X 91 74.148 2.081 10.479 1.00 0.00 H new ATOM 0 HB3 PHE X 91 72.454 2.487 10.286 1.00 0.00 H new ATOM 0 HD1 PHE X 91 71.692 3.262 7.966 1.00 0.00 H new ATOM 0 HD2 PHE X 91 75.387 1.278 8.650 1.00 0.00 H new ATOM 0 HE1 PHE X 91 71.824 2.674 5.603 1.00 0.00 H new ATOM 0 HE2 PHE X 91 75.503 0.680 6.274 1.00 0.00 H new ATOM 0 HZ PHE X 91 73.722 1.385 4.750 1.00 0.00 H new ATOM 1348 N LYS X 92 72.646 4.584 12.183 1.00 0.00 N ATOM 1349 CA LYS X 92 72.541 4.768 13.557 1.00 0.00 C ATOM 1350 C LYS X 92 72.494 3.408 14.201 1.00 0.00 C ATOM 1351 O LYS X 92 72.297 2.385 13.525 1.00 0.00 O ATOM 1352 CB LYS X 92 71.296 5.543 13.898 1.00 0.00 C ATOM 1353 CG LYS X 92 70.007 4.821 13.633 1.00 0.00 C ATOM 1354 CD LYS X 92 68.813 5.537 14.228 1.00 0.00 C ATOM 1355 CE LYS X 92 68.842 5.532 15.755 1.00 0.00 C ATOM 1356 NZ LYS X 92 67.662 6.198 16.327 1.00 0.00 N ATOM 0 H LYS X 92 71.755 4.565 11.687 1.00 0.00 H new ATOM 0 HA LYS X 92 73.396 5.337 13.922 1.00 0.00 H new ATOM 0 HB2 LYS X 92 71.333 5.815 14.953 1.00 0.00 H new ATOM 0 HB3 LYS X 92 71.298 6.473 13.329 1.00 0.00 H new ATOM 0 HG2 LYS X 92 69.866 4.717 12.557 1.00 0.00 H new ATOM 0 HG3 LYS X 92 70.066 3.814 14.045 1.00 0.00 H new ATOM 0 HD2 LYS X 92 68.793 6.566 13.870 1.00 0.00 H new ATOM 0 HD3 LYS X 92 67.896 5.061 13.882 1.00 0.00 H new ATOM 0 HE2 LYS X 92 68.889 4.504 16.114 1.00 0.00 H new ATOM 0 HE3 LYS X 92 69.746 6.032 16.103 1.00 0.00 H new ATOM 0 HZ1 LYS X 92 67.719 6.174 17.365 1.00 0.00 H new ATOM 0 HZ2 LYS X 92 67.631 7.186 16.005 1.00 0.00 H new ATOM 0 HZ3 LYS X 92 66.800 5.705 16.016 1.00 0.00 H new ATOM 1370 N GLN X 93 72.643 3.381 15.461 1.00 0.00 N ATOM 1371 CA GLN X 93 72.688 2.170 16.166 1.00 0.00 C ATOM 1372 C GLN X 93 71.369 1.916 16.846 1.00 0.00 C ATOM 1373 O GLN X 93 70.795 2.793 17.495 1.00 0.00 O ATOM 1374 CB GLN X 93 73.798 2.221 17.172 1.00 0.00 C ATOM 1375 CG GLN X 93 75.235 1.993 16.649 1.00 0.00 C ATOM 1376 CD GLN X 93 75.708 3.002 15.608 1.00 0.00 C ATOM 1377 OE1 GLN X 93 76.239 4.061 15.946 1.00 0.00 O ATOM 1378 NE2 GLN X 93 75.579 2.662 14.350 1.00 0.00 N ATOM 0 H GLN X 93 72.739 4.213 16.043 1.00 0.00 H new ATOM 0 HA GLN X 93 72.876 1.352 15.470 1.00 0.00 H new ATOM 0 HB2 GLN X 93 73.767 3.195 17.661 1.00 0.00 H new ATOM 0 HB3 GLN X 93 73.594 1.473 17.938 1.00 0.00 H new ATOM 0 HG2 GLN X 93 75.922 2.017 17.495 1.00 0.00 H new ATOM 0 HG3 GLN X 93 75.295 0.994 16.218 1.00 0.00 H new ATOM 0 HE21 GLN X 93 75.134 1.778 14.104 1.00 0.00 H new ATOM 0 HE22 GLN X 93 75.923 3.281 13.616 1.00 0.00 H new ATOM 1387 N GLY X 94 70.911 0.745 16.668 1.00 0.00 N ATOM 1388 CA GLY X 94 69.695 0.271 17.229 1.00 0.00 C ATOM 1389 C GLY X 94 69.351 -1.009 16.549 1.00 0.00 C ATOM 1390 O GLY X 94 70.296 -1.690 16.066 1.00 0.00 O ATOM 1391 OXT GLY X 94 68.176 -1.364 16.455 1.00 0.00 O ATOM 0 H GLY X 94 71.391 0.047 16.100 1.00 0.00 H new ATOM 0 HA2 GLY X 94 69.804 0.117 18.303 1.00 0.00 H new ATOM 0 HA3 GLY X 94 68.899 1.003 17.091 1.00 0.00 H new