USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 579 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 120:sc= -0.701 USER MOD Single : A 12 ASN : amide:sc= -0.0689 X(o=-0.069,f=-0.091) USER MOD Single : A 16 ASN : amide:sc= -0.226 X(o=-0.23,f=-0.0012) USER MOD Single : A 18 LYS NZ :NH3+ 157:sc= -0.0304 (180deg=-0.254) USER MOD Single : A 19 THR OG1 : rot -147:sc= -0.59 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot -16:sc= -0.121 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -165:sc= 1.16 (180deg=1) USER MOD Single : A 33 THR OG1 : rot -91:sc= -1.96! USER MOD Single : A 46 ASN : amide:sc= -1.1 X(o=-1.1,f=-1.2) USER MOD Single : A 50 ASN : amide:sc= -0.328 X(o=-0.33,f=-0.0072) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 ASN :FLIP amide:sc= -2.45 F(o=-5!,f=-2.4) USER MOD Single : A 58 LYS NZ :NH3+ -102:sc= -0.76 (180deg=-2.32!) USER MOD Single : A 59 LYS NZ :NH3+ -176:sc= -3.81! (180deg=-4.23!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -110:sc= 0.862 USER MOD Single : A 72 THR OG1 : rot 161:sc= 0.024! USER MOD Single : A 76 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 80 SER OG : rot 98:sc= 1.26 USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 53 N VAL A 4 101.279 114.483 -41.241 1.00 0.00 N ATOM 54 CA VAL A 4 102.462 114.141 -40.469 1.00 0.00 C ATOM 55 C VAL A 4 103.327 115.373 -40.137 1.00 0.00 C ATOM 56 O VAL A 4 103.847 115.504 -39.039 1.00 0.00 O ATOM 57 CB VAL A 4 103.287 113.117 -41.243 1.00 0.00 C ATOM 58 CG1 VAL A 4 102.463 111.871 -41.574 1.00 0.00 C ATOM 59 CG2 VAL A 4 103.889 113.735 -42.501 1.00 0.00 C ATOM 0 HA VAL A 4 102.130 113.722 -39.519 1.00 0.00 H new ATOM 0 HB VAL A 4 104.110 112.802 -40.601 1.00 0.00 H new ATOM 0 HG11 VAL A 4 103.081 111.162 -42.125 1.00 0.00 H new ATOM 0 HG12 VAL A 4 102.116 111.408 -40.650 1.00 0.00 H new ATOM 0 HG13 VAL A 4 101.604 112.154 -42.183 1.00 0.00 H new ATOM 0 HG21 VAL A 4 104.472 112.983 -43.033 1.00 0.00 H new ATOM 0 HG22 VAL A 4 103.089 114.098 -43.147 1.00 0.00 H new ATOM 0 HG23 VAL A 4 104.537 114.567 -42.224 1.00 0.00 H new ATOM 69 N THR A 5 103.469 116.261 -41.133 1.00 0.00 N ATOM 70 CA THR A 5 104.251 117.463 -40.873 1.00 0.00 C ATOM 71 C THR A 5 103.695 118.310 -39.712 1.00 0.00 C ATOM 72 O THR A 5 104.448 118.872 -38.928 1.00 0.00 O ATOM 73 CB THR A 5 104.407 118.302 -42.140 1.00 0.00 C ATOM 74 OG1 THR A 5 105.019 119.541 -41.858 1.00 0.00 O ATOM 75 CG2 THR A 5 103.085 118.502 -42.870 1.00 0.00 C ATOM 0 H THR A 5 103.076 116.175 -42.070 1.00 0.00 H new ATOM 0 HA THR A 5 105.237 117.123 -40.558 1.00 0.00 H new ATOM 0 HB THR A 5 105.059 117.741 -42.810 1.00 0.00 H new ATOM 0 HG1 THR A 5 105.108 120.058 -42.686 1.00 0.00 H new ATOM 0 HG21 THR A 5 103.250 119.105 -43.763 1.00 0.00 H new ATOM 0 HG22 THR A 5 102.677 117.533 -43.157 1.00 0.00 H new ATOM 0 HG23 THR A 5 102.380 119.012 -42.213 1.00 0.00 H new ATOM 83 N TYR A 6 102.353 118.383 -39.655 1.00 0.00 N ATOM 84 CA TYR A 6 101.732 118.976 -38.475 1.00 0.00 C ATOM 85 C TYR A 6 102.098 118.216 -37.179 1.00 0.00 C ATOM 86 O TYR A 6 102.287 118.826 -36.136 1.00 0.00 O ATOM 87 CB TYR A 6 100.205 119.045 -38.633 1.00 0.00 C ATOM 88 CG TYR A 6 99.784 120.067 -39.660 1.00 0.00 C ATOM 89 CD1 TYR A 6 100.212 121.412 -39.534 1.00 0.00 C ATOM 90 CD2 TYR A 6 98.982 119.703 -40.775 1.00 0.00 C ATOM 91 CE1 TYR A 6 99.908 122.366 -40.538 1.00 0.00 C ATOM 92 CE2 TYR A 6 98.668 120.654 -41.778 1.00 0.00 C ATOM 93 CZ TYR A 6 99.157 121.980 -41.675 1.00 0.00 C ATOM 94 OH TYR A 6 98.924 122.880 -42.697 1.00 0.00 O ATOM 0 H TYR A 6 101.711 118.055 -40.377 1.00 0.00 H new ATOM 0 HA TYR A 6 102.126 119.989 -38.388 1.00 0.00 H new ATOM 0 HB2 TYR A 6 99.827 118.065 -38.922 1.00 0.00 H new ATOM 0 HB3 TYR A 6 99.753 119.290 -37.672 1.00 0.00 H new ATOM 0 HD1 TYR A 6 100.776 121.714 -38.664 1.00 0.00 H new ATOM 0 HD2 TYR A 6 98.608 118.693 -40.859 1.00 0.00 H new ATOM 0 HE1 TYR A 6 100.249 123.386 -40.436 1.00 0.00 H new ATOM 0 HE2 TYR A 6 98.056 120.368 -42.621 1.00 0.00 H new ATOM 0 HH TYR A 6 98.393 122.448 -43.399 1.00 0.00 H new ATOM 104 N ILE A 7 102.176 116.873 -37.292 1.00 0.00 N ATOM 105 CA ILE A 7 102.605 116.079 -36.144 1.00 0.00 C ATOM 106 C ILE A 7 104.035 116.443 -35.698 1.00 0.00 C ATOM 107 O ILE A 7 104.314 116.591 -34.515 1.00 0.00 O ATOM 108 CB ILE A 7 102.521 114.589 -36.482 1.00 0.00 C ATOM 109 CG1 ILE A 7 101.147 114.228 -37.047 1.00 0.00 C ATOM 110 CG2 ILE A 7 102.850 113.733 -35.258 1.00 0.00 C ATOM 111 CD1 ILE A 7 100.033 114.695 -36.114 1.00 0.00 C ATOM 0 H ILE A 7 101.955 116.342 -38.134 1.00 0.00 H new ATOM 0 HA ILE A 7 101.935 116.303 -35.314 1.00 0.00 H new ATOM 0 HB ILE A 7 103.264 114.379 -37.252 1.00 0.00 H new ATOM 0 HG12 ILE A 7 101.021 114.687 -38.028 1.00 0.00 H new ATOM 0 HG13 ILE A 7 101.080 113.149 -37.188 1.00 0.00 H new ATOM 0 HG21 ILE A 7 102.784 112.678 -35.523 1.00 0.00 H new ATOM 0 HG22 ILE A 7 103.861 113.959 -34.917 1.00 0.00 H new ATOM 0 HG23 ILE A 7 102.141 113.952 -34.460 1.00 0.00 H new ATOM 0 HD11 ILE A 7 99.066 114.426 -36.539 1.00 0.00 H new ATOM 0 HD12 ILE A 7 100.148 114.216 -35.142 1.00 0.00 H new ATOM 0 HD13 ILE A 7 100.088 115.777 -35.994 1.00 0.00 H new ATOM 123 N ILE A 8 104.914 116.570 -36.712 1.00 0.00 N ATOM 124 CA ILE A 8 106.260 117.065 -36.474 1.00 0.00 C ATOM 125 C ILE A 8 106.234 118.445 -35.785 1.00 0.00 C ATOM 126 O ILE A 8 106.897 118.672 -34.781 1.00 0.00 O ATOM 127 CB ILE A 8 106.999 117.166 -37.814 1.00 0.00 C ATOM 128 CG1 ILE A 8 107.023 115.826 -38.560 1.00 0.00 C ATOM 129 CG2 ILE A 8 108.419 117.694 -37.611 1.00 0.00 C ATOM 130 CD1 ILE A 8 107.333 115.997 -40.050 1.00 0.00 C ATOM 0 H ILE A 8 104.709 116.338 -37.684 1.00 0.00 H new ATOM 0 HA ILE A 8 106.777 116.370 -35.812 1.00 0.00 H new ATOM 0 HB ILE A 8 106.448 117.873 -38.434 1.00 0.00 H new ATOM 0 HG12 ILE A 8 107.771 115.174 -38.108 1.00 0.00 H new ATOM 0 HG13 ILE A 8 106.058 115.332 -38.446 1.00 0.00 H new ATOM 0 HG21 ILE A 8 108.925 117.758 -38.574 1.00 0.00 H new ATOM 0 HG22 ILE A 8 108.378 118.684 -37.157 1.00 0.00 H new ATOM 0 HG23 ILE A 8 108.969 117.017 -36.957 1.00 0.00 H new ATOM 0 HD11 ILE A 8 107.339 115.021 -40.535 1.00 0.00 H new ATOM 0 HD12 ILE A 8 106.571 116.626 -40.510 1.00 0.00 H new ATOM 0 HD13 ILE A 8 108.310 116.466 -40.167 1.00 0.00 H new ATOM 142 N LYS A 9 105.427 119.341 -36.391 1.00 0.00 N ATOM 143 CA LYS A 9 105.276 120.689 -35.867 1.00 0.00 C ATOM 144 C LYS A 9 104.846 120.681 -34.389 1.00 0.00 C ATOM 145 O LYS A 9 105.449 121.331 -33.544 1.00 0.00 O ATOM 146 CB LYS A 9 104.203 121.394 -36.696 1.00 0.00 C ATOM 147 CG LYS A 9 104.253 122.914 -36.547 1.00 0.00 C ATOM 148 CD LYS A 9 104.497 123.609 -37.887 1.00 0.00 C ATOM 149 CE LYS A 9 103.290 123.490 -38.818 1.00 0.00 C ATOM 150 NZ LYS A 9 103.673 123.320 -40.215 1.00 0.00 N ATOM 0 H LYS A 9 104.882 119.147 -37.231 1.00 0.00 H new ATOM 0 HA LYS A 9 106.235 121.204 -35.930 1.00 0.00 H new ATOM 0 HB2 LYS A 9 104.329 121.131 -37.746 1.00 0.00 H new ATOM 0 HB3 LYS A 9 103.220 121.035 -36.393 1.00 0.00 H new ATOM 0 HG2 LYS A 9 103.315 123.268 -36.120 1.00 0.00 H new ATOM 0 HG3 LYS A 9 105.044 123.185 -35.848 1.00 0.00 H new ATOM 0 HD2 LYS A 9 104.720 124.662 -37.715 1.00 0.00 H new ATOM 0 HD3 LYS A 9 105.372 123.172 -38.369 1.00 0.00 H new ATOM 0 HE2 LYS A 9 102.678 122.643 -38.507 1.00 0.00 H new ATOM 0 HE3 LYS A 9 102.672 124.382 -38.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 102.818 123.245 -40.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 104.234 124.140 -40.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 104.240 122.454 -40.317 1.00 0.00 H new ATOM 164 N ALA A 10 103.770 119.909 -34.138 1.00 0.00 N ATOM 165 CA ALA A 10 103.177 119.930 -32.811 1.00 0.00 C ATOM 166 C ALA A 10 104.108 119.281 -31.772 1.00 0.00 C ATOM 167 O ALA A 10 104.315 119.821 -30.693 1.00 0.00 O ATOM 168 CB ALA A 10 101.818 119.223 -32.820 1.00 0.00 C ATOM 0 H ALA A 10 103.318 119.292 -34.813 1.00 0.00 H new ATOM 0 HA ALA A 10 103.031 120.972 -32.528 1.00 0.00 H new ATOM 0 HB1 ALA A 10 101.388 119.248 -31.819 1.00 0.00 H new ATOM 0 HB2 ALA A 10 101.149 119.730 -33.515 1.00 0.00 H new ATOM 0 HB3 ALA A 10 101.949 118.187 -33.133 1.00 0.00 H new ATOM 174 N SER A 11 104.657 118.101 -32.147 1.00 0.00 N ATOM 175 CA SER A 11 105.679 117.507 -31.297 1.00 0.00 C ATOM 176 C SER A 11 106.799 118.504 -30.931 1.00 0.00 C ATOM 177 O SER A 11 107.177 118.646 -29.775 1.00 0.00 O ATOM 178 CB SER A 11 106.311 116.289 -31.993 1.00 0.00 C ATOM 179 OG SER A 11 107.468 115.772 -31.346 1.00 0.00 O ATOM 0 H SER A 11 104.417 117.576 -32.988 1.00 0.00 H new ATOM 0 HA SER A 11 105.179 117.205 -30.377 1.00 0.00 H new ATOM 0 HB2 SER A 11 105.564 115.498 -32.061 1.00 0.00 H new ATOM 0 HB3 SER A 11 106.575 116.566 -33.014 1.00 0.00 H new ATOM 0 HG SER A 11 107.309 114.840 -31.087 1.00 0.00 H new ATOM 185 N ASN A 12 107.285 119.161 -32.007 1.00 0.00 N ATOM 186 CA ASN A 12 108.359 120.149 -31.974 1.00 0.00 C ATOM 187 C ASN A 12 109.624 119.566 -32.604 1.00 0.00 C ATOM 188 O ASN A 12 110.645 119.377 -31.953 1.00 0.00 O ATOM 189 CB ASN A 12 108.665 120.663 -30.565 1.00 0.00 C ATOM 190 CG ASN A 12 109.634 121.845 -30.638 1.00 0.00 C ATOM 191 OD1 ASN A 12 110.807 121.741 -30.299 1.00 0.00 O ATOM 192 ND2 ASN A 12 109.060 122.968 -31.104 1.00 0.00 N ATOM 0 H ASN A 12 106.922 119.005 -32.947 1.00 0.00 H new ATOM 0 HA ASN A 12 108.013 121.007 -32.551 1.00 0.00 H new ATOM 0 HB2 ASN A 12 107.742 120.969 -30.072 1.00 0.00 H new ATOM 0 HB3 ASN A 12 109.098 119.864 -29.963 1.00 0.00 H new ATOM 0 HD21 ASN A 12 109.611 123.821 -31.197 1.00 0.00 H new ATOM 0 HD22 ASN A 12 108.074 122.967 -31.364 1.00 0.00 H new ATOM 199 N ASP A 13 109.478 119.298 -33.916 1.00 0.00 N ATOM 200 CA ASP A 13 110.627 118.857 -34.699 1.00 0.00 C ATOM 201 C ASP A 13 111.366 117.679 -34.036 1.00 0.00 C ATOM 202 O ASP A 13 112.584 117.681 -33.901 1.00 0.00 O ATOM 203 CB ASP A 13 111.589 120.028 -34.901 1.00 0.00 C ATOM 204 CG ASP A 13 112.402 119.817 -36.179 1.00 0.00 C ATOM 205 OD1 ASP A 13 112.828 118.690 -36.425 1.00 0.00 O ATOM 206 OD2 ASP A 13 112.601 120.783 -36.915 1.00 0.00 O ATOM 0 H ASP A 13 108.603 119.378 -34.434 1.00 0.00 H new ATOM 0 HA ASP A 13 110.256 118.507 -35.662 1.00 0.00 H new ATOM 0 HB2 ASP A 13 111.031 120.962 -34.964 1.00 0.00 H new ATOM 0 HB3 ASP A 13 112.257 120.113 -34.044 1.00 0.00 H new ATOM 211 N VAL A 14 110.552 116.683 -33.635 1.00 0.00 N ATOM 212 CA VAL A 14 111.076 115.347 -33.400 1.00 0.00 C ATOM 213 C VAL A 14 110.848 114.475 -34.641 1.00 0.00 C ATOM 214 O VAL A 14 111.783 113.991 -35.268 1.00 0.00 O ATOM 215 CB VAL A 14 110.366 114.758 -32.181 1.00 0.00 C ATOM 216 CG1 VAL A 14 110.688 113.273 -31.991 1.00 0.00 C ATOM 217 CG2 VAL A 14 110.721 115.549 -30.922 1.00 0.00 C ATOM 0 H VAL A 14 109.550 116.786 -33.473 1.00 0.00 H new ATOM 0 HA VAL A 14 112.148 115.386 -33.209 1.00 0.00 H new ATOM 0 HB VAL A 14 109.294 114.837 -32.359 1.00 0.00 H new ATOM 0 HG11 VAL A 14 110.162 112.896 -31.114 1.00 0.00 H new ATOM 0 HG12 VAL A 14 110.369 112.716 -32.872 1.00 0.00 H new ATOM 0 HG13 VAL A 14 111.762 113.148 -31.852 1.00 0.00 H new ATOM 0 HG21 VAL A 14 110.207 115.116 -30.064 1.00 0.00 H new ATOM 0 HG22 VAL A 14 111.798 115.509 -30.758 1.00 0.00 H new ATOM 0 HG23 VAL A 14 110.411 116.587 -31.045 1.00 0.00 H new ATOM 227 N LEU A 15 109.546 114.311 -34.949 1.00 0.00 N ATOM 228 CA LEU A 15 109.188 113.302 -35.927 1.00 0.00 C ATOM 229 C LEU A 15 109.755 113.693 -37.295 1.00 0.00 C ATOM 230 O LEU A 15 110.177 114.820 -37.524 1.00 0.00 O ATOM 231 CB LEU A 15 107.661 113.169 -36.033 1.00 0.00 C ATOM 232 CG LEU A 15 106.951 112.681 -34.764 1.00 0.00 C ATOM 233 CD1 LEU A 15 107.398 111.286 -34.315 1.00 0.00 C ATOM 234 CD2 LEU A 15 107.074 113.676 -33.614 1.00 0.00 C ATOM 0 H LEU A 15 108.771 114.841 -34.551 1.00 0.00 H new ATOM 0 HA LEU A 15 109.605 112.346 -35.609 1.00 0.00 H new ATOM 0 HB2 LEU A 15 107.248 114.139 -36.309 1.00 0.00 H new ATOM 0 HB3 LEU A 15 107.429 112.480 -36.846 1.00 0.00 H new ATOM 0 HG LEU A 15 105.899 112.606 -35.040 1.00 0.00 H new ATOM 0 HD11 LEU A 15 106.856 111.003 -33.412 1.00 0.00 H new ATOM 0 HD12 LEU A 15 107.188 110.565 -35.105 1.00 0.00 H new ATOM 0 HD13 LEU A 15 108.468 111.296 -34.108 1.00 0.00 H new ATOM 0 HD21 LEU A 15 106.555 113.286 -32.738 1.00 0.00 H new ATOM 0 HD22 LEU A 15 108.127 113.827 -33.375 1.00 0.00 H new ATOM 0 HD23 LEU A 15 106.628 114.627 -33.906 1.00 0.00 H new ATOM 246 N ASN A 16 109.733 112.679 -38.181 1.00 0.00 N ATOM 247 CA ASN A 16 109.717 112.968 -39.607 1.00 0.00 C ATOM 248 C ASN A 16 108.252 113.032 -40.075 1.00 0.00 C ATOM 249 O ASN A 16 107.349 113.274 -39.285 1.00 0.00 O ATOM 250 CB ASN A 16 110.530 111.898 -40.352 1.00 0.00 C ATOM 251 CG ASN A 16 111.997 111.950 -39.918 1.00 0.00 C ATOM 252 OD1 ASN A 16 112.842 112.560 -40.561 1.00 0.00 O ATOM 253 ND2 ASN A 16 112.233 111.269 -38.781 1.00 0.00 N ATOM 0 H ASN A 16 109.726 111.689 -37.936 1.00 0.00 H new ATOM 0 HA ASN A 16 110.181 113.930 -39.823 1.00 0.00 H new ATOM 0 HB2 ASN A 16 110.118 110.910 -40.147 1.00 0.00 H new ATOM 0 HB3 ASN A 16 110.456 112.058 -41.428 1.00 0.00 H new ATOM 0 HD21 ASN A 16 113.176 111.235 -38.393 1.00 0.00 H new ATOM 0 HD22 ASN A 16 111.469 110.787 -38.307 1.00 0.00 H new ATOM 260 N GLU A 17 108.061 112.802 -41.390 1.00 0.00 N ATOM 261 CA GLU A 17 106.832 112.150 -41.820 1.00 0.00 C ATOM 262 C GLU A 17 106.620 110.809 -41.095 1.00 0.00 C ATOM 263 O GLU A 17 105.603 110.580 -40.451 1.00 0.00 O ATOM 264 CB GLU A 17 106.879 111.923 -43.330 1.00 0.00 C ATOM 265 CG GLU A 17 106.982 113.240 -44.100 1.00 0.00 C ATOM 266 CD GLU A 17 107.277 112.959 -45.574 1.00 0.00 C ATOM 267 OE1 GLU A 17 108.436 112.719 -45.905 1.00 0.00 O ATOM 268 OE2 GLU A 17 106.342 112.981 -46.374 1.00 0.00 O ATOM 0 H GLU A 17 108.715 113.049 -42.133 1.00 0.00 H new ATOM 0 HA GLU A 17 105.994 112.800 -41.568 1.00 0.00 H new ATOM 0 HB2 GLU A 17 107.732 111.291 -43.576 1.00 0.00 H new ATOM 0 HB3 GLU A 17 105.984 111.387 -43.645 1.00 0.00 H new ATOM 0 HG2 GLU A 17 106.051 113.800 -44.007 1.00 0.00 H new ATOM 0 HG3 GLU A 17 107.771 113.860 -43.674 1.00 0.00 H new ATOM 275 N LYS A 18 107.644 109.950 -41.247 1.00 0.00 N ATOM 276 CA LYS A 18 107.398 108.530 -41.053 1.00 0.00 C ATOM 277 C LYS A 18 106.992 108.214 -39.605 1.00 0.00 C ATOM 278 O LYS A 18 106.001 107.539 -39.357 1.00 0.00 O ATOM 279 CB LYS A 18 108.656 107.745 -41.417 1.00 0.00 C ATOM 280 CG LYS A 18 109.008 107.894 -42.892 1.00 0.00 C ATOM 281 CD LYS A 18 110.126 106.935 -43.296 1.00 0.00 C ATOM 282 CE LYS A 18 111.226 107.646 -44.083 1.00 0.00 C ATOM 283 NZ LYS A 18 111.921 108.648 -43.284 1.00 0.00 N ATOM 0 H LYS A 18 108.601 110.206 -41.491 1.00 0.00 H new ATOM 0 HA LYS A 18 106.571 108.239 -41.700 1.00 0.00 H new ATOM 0 HB2 LYS A 18 109.490 108.092 -40.807 1.00 0.00 H new ATOM 0 HB3 LYS A 18 108.507 106.691 -41.183 1.00 0.00 H new ATOM 0 HG2 LYS A 18 108.124 107.702 -43.500 1.00 0.00 H new ATOM 0 HG3 LYS A 18 109.316 108.920 -43.093 1.00 0.00 H new ATOM 0 HD2 LYS A 18 110.554 106.479 -42.403 1.00 0.00 H new ATOM 0 HD3 LYS A 18 109.712 106.127 -43.899 1.00 0.00 H new ATOM 0 HE2 LYS A 18 111.945 106.910 -44.444 1.00 0.00 H new ATOM 0 HE3 LYS A 18 110.791 108.123 -44.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 112.864 108.820 -43.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 111.376 109.534 -43.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 112.019 108.306 -42.307 1.00 0.00 H new ATOM 297 N THR A 19 107.800 108.747 -38.670 1.00 0.00 N ATOM 298 CA THR A 19 107.450 108.567 -37.269 1.00 0.00 C ATOM 299 C THR A 19 106.133 109.270 -36.879 1.00 0.00 C ATOM 300 O THR A 19 105.394 108.792 -36.027 1.00 0.00 O ATOM 301 CB THR A 19 108.605 109.061 -36.396 1.00 0.00 C ATOM 302 OG1 THR A 19 108.923 110.403 -36.690 1.00 0.00 O ATOM 303 CG2 THR A 19 109.837 108.164 -36.549 1.00 0.00 C ATOM 0 H THR A 19 108.652 109.276 -38.853 1.00 0.00 H new ATOM 0 HA THR A 19 107.282 107.503 -37.105 1.00 0.00 H new ATOM 0 HB THR A 19 108.280 109.010 -35.357 1.00 0.00 H new ATOM 0 HG1 THR A 19 109.885 110.545 -36.569 1.00 0.00 H new ATOM 0 HG21 THR A 19 110.641 108.540 -35.917 1.00 0.00 H new ATOM 0 HG22 THR A 19 109.586 107.146 -36.250 1.00 0.00 H new ATOM 0 HG23 THR A 19 110.162 108.166 -37.589 1.00 0.00 H new ATOM 311 N ALA A 20 105.882 110.418 -37.533 1.00 0.00 N ATOM 312 CA ALA A 20 104.649 111.139 -37.269 1.00 0.00 C ATOM 313 C ALA A 20 103.406 110.302 -37.632 1.00 0.00 C ATOM 314 O ALA A 20 102.455 110.225 -36.862 1.00 0.00 O ATOM 315 CB ALA A 20 104.665 112.430 -38.094 1.00 0.00 C ATOM 0 H ALA A 20 106.500 110.846 -38.223 1.00 0.00 H new ATOM 0 HA ALA A 20 104.590 111.358 -36.203 1.00 0.00 H new ATOM 0 HB1 ALA A 20 103.747 112.989 -37.912 1.00 0.00 H new ATOM 0 HB2 ALA A 20 105.523 113.036 -37.804 1.00 0.00 H new ATOM 0 HB3 ALA A 20 104.736 112.184 -39.153 1.00 0.00 H new ATOM 321 N THR A 21 103.458 109.682 -38.829 1.00 0.00 N ATOM 322 CA THR A 21 102.333 108.830 -39.210 1.00 0.00 C ATOM 323 C THR A 21 102.215 107.571 -38.323 1.00 0.00 C ATOM 324 O THR A 21 101.122 107.129 -37.992 1.00 0.00 O ATOM 325 CB THR A 21 102.405 108.480 -40.705 1.00 0.00 C ATOM 326 OG1 THR A 21 101.112 108.300 -41.243 1.00 0.00 O ATOM 327 CG2 THR A 21 103.314 107.289 -41.038 1.00 0.00 C ATOM 0 H THR A 21 104.219 109.751 -39.505 1.00 0.00 H new ATOM 0 HA THR A 21 101.419 109.398 -39.040 1.00 0.00 H new ATOM 0 HB THR A 21 102.876 109.340 -41.182 1.00 0.00 H new ATOM 0 HG1 THR A 21 101.182 108.080 -42.195 1.00 0.00 H new ATOM 0 HG21 THR A 21 103.304 107.114 -42.114 1.00 0.00 H new ATOM 0 HG22 THR A 21 104.332 107.507 -40.715 1.00 0.00 H new ATOM 0 HG23 THR A 21 102.952 106.400 -40.522 1.00 0.00 H new ATOM 335 N ILE A 22 103.392 107.021 -37.974 1.00 0.00 N ATOM 336 CA ILE A 22 103.430 105.763 -37.240 1.00 0.00 C ATOM 337 C ILE A 22 102.904 105.942 -35.804 1.00 0.00 C ATOM 338 O ILE A 22 102.038 105.209 -35.343 1.00 0.00 O ATOM 339 CB ILE A 22 104.877 105.267 -37.203 1.00 0.00 C ATOM 340 CG1 ILE A 22 105.413 105.010 -38.618 1.00 0.00 C ATOM 341 CG2 ILE A 22 105.052 104.058 -36.275 1.00 0.00 C ATOM 342 CD1 ILE A 22 105.390 103.537 -39.040 1.00 0.00 C ATOM 0 H ILE A 22 104.305 107.424 -38.187 1.00 0.00 H new ATOM 0 HA ILE A 22 102.790 105.037 -37.742 1.00 0.00 H new ATOM 0 HB ILE A 22 105.485 106.063 -36.773 1.00 0.00 H new ATOM 0 HG12 ILE A 22 104.823 105.589 -39.329 1.00 0.00 H new ATOM 0 HG13 ILE A 22 106.437 105.378 -38.679 1.00 0.00 H new ATOM 0 HG21 ILE A 22 106.095 103.742 -36.282 1.00 0.00 H new ATOM 0 HG22 ILE A 22 104.763 104.333 -35.261 1.00 0.00 H new ATOM 0 HG23 ILE A 22 104.423 103.239 -36.622 1.00 0.00 H new ATOM 0 HD11 ILE A 22 105.785 103.442 -40.052 1.00 0.00 H new ATOM 0 HD12 ILE A 22 106.004 102.953 -38.355 1.00 0.00 H new ATOM 0 HD13 ILE A 22 104.365 103.167 -39.014 1.00 0.00 H new ATOM 354 N LEU A 23 103.485 106.961 -35.135 1.00 0.00 N ATOM 355 CA LEU A 23 102.975 107.367 -33.834 1.00 0.00 C ATOM 356 C LEU A 23 101.456 107.621 -33.864 1.00 0.00 C ATOM 357 O LEU A 23 100.748 107.280 -32.928 1.00 0.00 O ATOM 358 CB LEU A 23 103.720 108.638 -33.390 1.00 0.00 C ATOM 359 CG LEU A 23 103.031 109.433 -32.274 1.00 0.00 C ATOM 360 CD1 LEU A 23 102.869 108.575 -31.019 1.00 0.00 C ATOM 361 CD2 LEU A 23 103.805 110.717 -31.965 1.00 0.00 C ATOM 0 H LEU A 23 104.285 107.497 -35.473 1.00 0.00 H new ATOM 0 HA LEU A 23 103.147 106.558 -33.124 1.00 0.00 H new ATOM 0 HB2 LEU A 23 104.718 108.358 -33.054 1.00 0.00 H new ATOM 0 HB3 LEU A 23 103.846 109.289 -34.255 1.00 0.00 H new ATOM 0 HG LEU A 23 102.036 109.715 -32.620 1.00 0.00 H new ATOM 0 HD11 LEU A 23 102.378 109.159 -30.240 1.00 0.00 H new ATOM 0 HD12 LEU A 23 102.263 107.699 -31.253 1.00 0.00 H new ATOM 0 HD13 LEU A 23 103.850 108.254 -30.668 1.00 0.00 H new ATOM 0 HD21 LEU A 23 103.298 111.265 -31.171 1.00 0.00 H new ATOM 0 HD22 LEU A 23 104.816 110.464 -31.644 1.00 0.00 H new ATOM 0 HD23 LEU A 23 103.853 111.337 -32.860 1.00 0.00 H new ATOM 373 N ILE A 24 101.003 108.246 -34.966 1.00 0.00 N ATOM 374 CA ILE A 24 99.577 108.469 -35.105 1.00 0.00 C ATOM 375 C ILE A 24 98.802 107.141 -35.142 1.00 0.00 C ATOM 376 O ILE A 24 97.800 106.971 -34.460 1.00 0.00 O ATOM 377 CB ILE A 24 99.348 109.309 -36.356 1.00 0.00 C ATOM 378 CG1 ILE A 24 99.882 110.715 -36.097 1.00 0.00 C ATOM 379 CG2 ILE A 24 97.884 109.308 -36.808 1.00 0.00 C ATOM 380 CD1 ILE A 24 98.817 111.630 -35.494 1.00 0.00 C ATOM 0 H ILE A 24 101.582 108.587 -35.733 1.00 0.00 H new ATOM 0 HA ILE A 24 99.196 109.009 -34.238 1.00 0.00 H new ATOM 0 HB ILE A 24 99.894 108.866 -37.189 1.00 0.00 H new ATOM 0 HG12 ILE A 24 100.736 110.660 -35.423 1.00 0.00 H new ATOM 0 HG13 ILE A 24 100.241 111.144 -37.032 1.00 0.00 H new ATOM 0 HG21 ILE A 24 97.779 109.922 -37.703 1.00 0.00 H new ATOM 0 HG22 ILE A 24 97.572 108.287 -37.030 1.00 0.00 H new ATOM 0 HG23 ILE A 24 97.258 109.714 -36.014 1.00 0.00 H new ATOM 0 HD11 ILE A 24 99.241 112.620 -35.326 1.00 0.00 H new ATOM 0 HD12 ILE A 24 97.973 111.708 -36.180 1.00 0.00 H new ATOM 0 HD13 ILE A 24 98.476 111.216 -34.545 1.00 0.00 H new ATOM 392 N THR A 25 99.318 106.221 -35.978 1.00 0.00 N ATOM 393 CA THR A 25 98.586 104.988 -36.203 1.00 0.00 C ATOM 394 C THR A 25 98.363 104.212 -34.887 1.00 0.00 C ATOM 395 O THR A 25 97.259 103.771 -34.593 1.00 0.00 O ATOM 396 CB THR A 25 99.336 104.118 -37.221 1.00 0.00 C ATOM 397 OG1 THR A 25 100.125 104.873 -38.116 1.00 0.00 O ATOM 398 CG2 THR A 25 98.374 103.236 -38.009 1.00 0.00 C ATOM 0 H THR A 25 100.200 106.311 -36.483 1.00 0.00 H new ATOM 0 HA THR A 25 97.604 105.243 -36.601 1.00 0.00 H new ATOM 0 HB THR A 25 100.009 103.491 -36.636 1.00 0.00 H new ATOM 0 HG1 THR A 25 99.847 105.812 -38.085 1.00 0.00 H new ATOM 0 HG21 THR A 25 98.935 102.632 -38.722 1.00 0.00 H new ATOM 0 HG22 THR A 25 97.836 102.582 -37.323 1.00 0.00 H new ATOM 0 HG23 THR A 25 97.662 103.863 -38.546 1.00 0.00 H new ATOM 406 N ILE A 26 99.467 104.074 -34.122 1.00 0.00 N ATOM 407 CA ILE A 26 99.318 103.586 -32.756 1.00 0.00 C ATOM 408 C ILE A 26 98.394 104.496 -31.923 1.00 0.00 C ATOM 409 O ILE A 26 97.461 104.044 -31.270 1.00 0.00 O ATOM 410 CB ILE A 26 100.683 103.524 -32.068 1.00 0.00 C ATOM 411 CG1 ILE A 26 101.717 102.717 -32.863 1.00 0.00 C ATOM 412 CG2 ILE A 26 100.543 102.983 -30.644 1.00 0.00 C ATOM 413 CD1 ILE A 26 103.091 103.382 -32.802 1.00 0.00 C ATOM 0 H ILE A 26 100.421 104.284 -34.417 1.00 0.00 H new ATOM 0 HA ILE A 26 98.874 102.592 -32.816 1.00 0.00 H new ATOM 0 HB ILE A 26 101.060 104.546 -32.023 1.00 0.00 H new ATOM 0 HG12 ILE A 26 101.780 101.705 -32.463 1.00 0.00 H new ATOM 0 HG13 ILE A 26 101.396 102.630 -33.901 1.00 0.00 H new ATOM 0 HG21 ILE A 26 101.524 102.946 -30.171 1.00 0.00 H new ATOM 0 HG22 ILE A 26 99.887 103.637 -30.069 1.00 0.00 H new ATOM 0 HG23 ILE A 26 100.118 101.980 -30.676 1.00 0.00 H new ATOM 0 HD11 ILE A 26 103.807 102.791 -33.373 1.00 0.00 H new ATOM 0 HD12 ILE A 26 103.029 104.385 -33.225 1.00 0.00 H new ATOM 0 HD13 ILE A 26 103.419 103.445 -31.764 1.00 0.00 H new ATOM 425 N ALA A 27 98.722 105.800 -31.995 1.00 0.00 N ATOM 426 CA ALA A 27 98.116 106.764 -31.080 1.00 0.00 C ATOM 427 C ALA A 27 96.578 106.689 -31.083 1.00 0.00 C ATOM 428 O ALA A 27 95.941 106.661 -30.036 1.00 0.00 O ATOM 429 CB ALA A 27 98.527 108.182 -31.485 1.00 0.00 C ATOM 0 H ALA A 27 99.386 106.195 -32.661 1.00 0.00 H new ATOM 0 HA ALA A 27 98.470 106.520 -30.078 1.00 0.00 H new ATOM 0 HB1 ALA A 27 98.075 108.901 -30.802 1.00 0.00 H new ATOM 0 HB2 ALA A 27 99.612 108.273 -31.441 1.00 0.00 H new ATOM 0 HB3 ALA A 27 98.187 108.383 -32.501 1.00 0.00 H new ATOM 435 N LYS A 28 96.024 106.660 -32.312 1.00 0.00 N ATOM 436 CA LYS A 28 94.590 106.453 -32.466 1.00 0.00 C ATOM 437 C LYS A 28 94.133 105.172 -31.745 1.00 0.00 C ATOM 438 O LYS A 28 93.252 105.189 -30.895 1.00 0.00 O ATOM 439 CB LYS A 28 94.218 106.411 -33.960 1.00 0.00 C ATOM 440 CG LYS A 28 93.175 107.476 -34.303 1.00 0.00 C ATOM 441 CD LYS A 28 93.643 108.880 -33.918 1.00 0.00 C ATOM 442 CE LYS A 28 93.035 109.953 -34.822 1.00 0.00 C ATOM 443 NZ LYS A 28 93.771 111.210 -34.764 1.00 0.00 N ATOM 0 H LYS A 28 96.540 106.775 -33.184 1.00 0.00 H new ATOM 0 HA LYS A 28 94.069 107.291 -32.003 1.00 0.00 H new ATOM 0 HB2 LYS A 28 95.112 106.566 -34.564 1.00 0.00 H new ATOM 0 HB3 LYS A 28 93.830 105.424 -34.213 1.00 0.00 H new ATOM 0 HG2 LYS A 28 92.963 107.445 -35.372 1.00 0.00 H new ATOM 0 HG3 LYS A 28 92.242 107.250 -33.786 1.00 0.00 H new ATOM 0 HD2 LYS A 28 93.371 109.082 -32.882 1.00 0.00 H new ATOM 0 HD3 LYS A 28 94.730 108.929 -33.977 1.00 0.00 H new ATOM 0 HE2 LYS A 28 93.019 109.592 -35.850 1.00 0.00 H new ATOM 0 HE3 LYS A 28 92.000 110.127 -34.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 93.321 111.905 -35.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 93.765 111.571 -33.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 94.753 111.052 -35.069 1.00 0.00 H new ATOM 457 N LYS A 29 94.798 104.072 -32.146 1.00 0.00 N ATOM 458 CA LYS A 29 94.282 102.752 -31.846 1.00 0.00 C ATOM 459 C LYS A 29 94.921 102.235 -30.548 1.00 0.00 C ATOM 460 O LYS A 29 96.135 102.131 -30.421 1.00 0.00 O ATOM 461 CB LYS A 29 94.627 101.805 -32.990 1.00 0.00 C ATOM 462 CG LYS A 29 94.003 100.435 -32.772 1.00 0.00 C ATOM 463 CD LYS A 29 94.196 99.541 -33.992 1.00 0.00 C ATOM 464 CE LYS A 29 93.003 99.607 -34.949 1.00 0.00 C ATOM 465 NZ LYS A 29 93.406 99.573 -36.350 1.00 0.00 N ATOM 0 H LYS A 29 95.675 104.084 -32.667 1.00 0.00 H new ATOM 0 HA LYS A 29 93.200 102.802 -31.724 1.00 0.00 H new ATOM 0 HB2 LYS A 29 94.273 102.224 -33.932 1.00 0.00 H new ATOM 0 HB3 LYS A 29 95.710 101.707 -33.071 1.00 0.00 H new ATOM 0 HG2 LYS A 29 94.451 99.963 -31.898 1.00 0.00 H new ATOM 0 HG3 LYS A 29 92.939 100.546 -32.564 1.00 0.00 H new ATOM 0 HD2 LYS A 29 95.101 99.840 -34.521 1.00 0.00 H new ATOM 0 HD3 LYS A 29 94.343 98.511 -33.667 1.00 0.00 H new ATOM 0 HE2 LYS A 29 92.333 98.771 -34.747 1.00 0.00 H new ATOM 0 HE3 LYS A 29 92.439 100.520 -34.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 92.609 99.872 -36.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 94.209 100.218 -36.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 93.688 98.605 -36.607 1.00 0.00 H new ATOM 479 N ASP A 30 94.016 101.922 -29.604 1.00 0.00 N ATOM 480 CA ASP A 30 94.427 101.486 -28.286 1.00 0.00 C ATOM 481 C ASP A 30 94.513 99.954 -28.250 1.00 0.00 C ATOM 482 O ASP A 30 93.509 99.253 -28.266 1.00 0.00 O ATOM 483 CB ASP A 30 93.390 101.959 -27.273 1.00 0.00 C ATOM 484 CG ASP A 30 93.414 103.485 -27.168 1.00 0.00 C ATOM 485 OD1 ASP A 30 94.363 104.019 -26.594 1.00 0.00 O ATOM 486 OD2 ASP A 30 92.485 104.122 -27.661 1.00 0.00 O ATOM 0 H ASP A 30 93.006 101.967 -29.741 1.00 0.00 H new ATOM 0 HA ASP A 30 95.405 101.903 -28.046 1.00 0.00 H new ATOM 0 HB2 ASP A 30 92.398 101.623 -27.573 1.00 0.00 H new ATOM 0 HB3 ASP A 30 93.595 101.517 -26.298 1.00 0.00 H new ATOM 491 N PHE A 31 95.775 99.493 -28.201 1.00 0.00 N ATOM 492 CA PHE A 31 96.059 98.113 -28.574 1.00 0.00 C ATOM 493 C PHE A 31 95.699 97.899 -30.054 1.00 0.00 C ATOM 494 O PHE A 31 94.871 97.067 -30.404 1.00 0.00 O ATOM 495 CB PHE A 31 95.297 97.087 -27.705 1.00 0.00 C ATOM 496 CG PHE A 31 95.396 97.263 -26.202 1.00 0.00 C ATOM 497 CD1 PHE A 31 96.454 97.992 -25.596 1.00 0.00 C ATOM 498 CD2 PHE A 31 94.400 96.689 -25.367 1.00 0.00 C ATOM 499 CE1 PHE A 31 96.499 98.169 -24.191 1.00 0.00 C ATOM 500 CE2 PHE A 31 94.447 96.853 -23.962 1.00 0.00 C ATOM 501 CZ PHE A 31 95.497 97.595 -23.372 1.00 0.00 C ATOM 0 H PHE A 31 96.586 100.042 -27.915 1.00 0.00 H new ATOM 0 HA PHE A 31 97.123 97.947 -28.408 1.00 0.00 H new ATOM 0 HB2 PHE A 31 94.244 97.121 -27.983 1.00 0.00 H new ATOM 0 HB3 PHE A 31 95.661 96.091 -27.956 1.00 0.00 H new ATOM 0 HD1 PHE A 31 97.232 98.416 -26.213 1.00 0.00 H new ATOM 0 HD2 PHE A 31 93.596 96.120 -25.810 1.00 0.00 H new ATOM 0 HE1 PHE A 31 97.298 98.742 -23.745 1.00 0.00 H new ATOM 0 HE2 PHE A 31 93.682 96.412 -23.341 1.00 0.00 H new ATOM 0 HZ PHE A 31 95.534 97.723 -22.300 1.00 0.00 H new ATOM 511 N ILE A 32 96.382 98.712 -30.889 1.00 0.00 N ATOM 512 CA ILE A 32 97.002 98.231 -32.110 1.00 0.00 C ATOM 513 C ILE A 32 97.892 97.010 -31.823 1.00 0.00 C ATOM 514 O ILE A 32 97.750 96.338 -30.812 1.00 0.00 O ATOM 515 CB ILE A 32 97.759 99.405 -32.761 1.00 0.00 C ATOM 516 CG1 ILE A 32 97.826 99.216 -34.273 1.00 0.00 C ATOM 517 CG2 ILE A 32 99.150 99.628 -32.165 1.00 0.00 C ATOM 518 CD1 ILE A 32 98.020 100.543 -35.002 1.00 0.00 C ATOM 0 H ILE A 32 96.510 99.710 -30.724 1.00 0.00 H new ATOM 0 HA ILE A 32 96.251 97.881 -32.818 1.00 0.00 H new ATOM 0 HB ILE A 32 97.193 100.311 -32.542 1.00 0.00 H new ATOM 0 HG12 ILE A 32 98.647 98.543 -34.519 1.00 0.00 H new ATOM 0 HG13 ILE A 32 96.909 98.741 -34.621 1.00 0.00 H new ATOM 0 HG21 ILE A 32 99.630 100.468 -32.666 1.00 0.00 H new ATOM 0 HG22 ILE A 32 99.059 99.844 -31.101 1.00 0.00 H new ATOM 0 HG23 ILE A 32 99.753 98.730 -32.303 1.00 0.00 H new ATOM 0 HD11 ILE A 32 98.063 100.365 -36.077 1.00 0.00 H new ATOM 0 HD12 ILE A 32 97.185 101.207 -34.777 1.00 0.00 H new ATOM 0 HD13 ILE A 32 98.951 101.006 -34.674 1.00 0.00 H new ATOM 530 N THR A 33 98.801 96.756 -32.780 1.00 0.00 N ATOM 531 CA THR A 33 100.138 96.319 -32.399 1.00 0.00 C ATOM 532 C THR A 33 101.149 96.914 -33.390 1.00 0.00 C ATOM 533 O THR A 33 100.811 97.712 -34.258 1.00 0.00 O ATOM 534 CB THR A 33 100.212 94.778 -32.375 1.00 0.00 C ATOM 535 OG1 THR A 33 100.297 94.194 -33.655 1.00 0.00 O ATOM 536 CG2 THR A 33 99.040 94.147 -31.616 1.00 0.00 C ATOM 0 H THR A 33 98.637 96.843 -33.783 1.00 0.00 H new ATOM 0 HA THR A 33 100.376 96.670 -31.395 1.00 0.00 H new ATOM 0 HB THR A 33 101.141 94.565 -31.846 1.00 0.00 H new ATOM 0 HG1 THR A 33 99.396 93.997 -33.985 1.00 0.00 H new ATOM 0 HG21 THR A 33 99.140 93.062 -31.629 1.00 0.00 H new ATOM 0 HG22 THR A 33 99.043 94.499 -30.584 1.00 0.00 H new ATOM 0 HG23 THR A 33 98.102 94.431 -32.094 1.00 0.00 H new ATOM 544 N ALA A 34 102.410 96.479 -33.211 1.00 0.00 N ATOM 545 CA ALA A 34 103.340 96.583 -34.330 1.00 0.00 C ATOM 546 C ALA A 34 102.816 95.885 -35.605 1.00 0.00 C ATOM 547 O ALA A 34 102.935 96.402 -36.708 1.00 0.00 O ATOM 548 CB ALA A 34 104.690 95.988 -33.928 1.00 0.00 C ATOM 0 H ALA A 34 102.785 96.076 -32.352 1.00 0.00 H new ATOM 0 HA ALA A 34 103.449 97.641 -34.568 1.00 0.00 H new ATOM 0 HB1 ALA A 34 105.385 96.066 -34.764 1.00 0.00 H new ATOM 0 HB2 ALA A 34 105.088 96.534 -33.073 1.00 0.00 H new ATOM 0 HB3 ALA A 34 104.560 94.939 -33.660 1.00 0.00 H new ATOM 554 N ALA A 35 102.240 94.689 -35.381 1.00 0.00 N ATOM 555 CA ALA A 35 101.729 93.896 -36.487 1.00 0.00 C ATOM 556 C ALA A 35 100.673 94.668 -37.305 1.00 0.00 C ATOM 557 O ALA A 35 100.753 94.742 -38.523 1.00 0.00 O ATOM 558 CB ALA A 35 101.139 92.582 -35.953 1.00 0.00 C ATOM 0 H ALA A 35 102.124 94.267 -34.460 1.00 0.00 H new ATOM 0 HA ALA A 35 102.560 93.675 -37.157 1.00 0.00 H new ATOM 0 HB1 ALA A 35 100.757 91.990 -36.785 1.00 0.00 H new ATOM 0 HB2 ALA A 35 101.915 92.019 -35.434 1.00 0.00 H new ATOM 0 HB3 ALA A 35 100.326 92.803 -35.261 1.00 0.00 H new ATOM 564 N GLU A 36 99.684 95.232 -36.579 1.00 0.00 N ATOM 565 CA GLU A 36 98.704 96.041 -37.287 1.00 0.00 C ATOM 566 C GLU A 36 99.345 97.264 -37.967 1.00 0.00 C ATOM 567 O GLU A 36 99.007 97.590 -39.097 1.00 0.00 O ATOM 568 CB GLU A 36 97.563 96.472 -36.359 1.00 0.00 C ATOM 569 CG GLU A 36 96.206 96.185 -36.995 1.00 0.00 C ATOM 570 CD GLU A 36 95.090 96.349 -35.961 1.00 0.00 C ATOM 571 OE1 GLU A 36 95.293 95.968 -34.810 1.00 0.00 O ATOM 572 OE2 GLU A 36 94.029 96.856 -36.322 1.00 0.00 O ATOM 0 H GLU A 36 99.555 95.145 -35.571 1.00 0.00 H new ATOM 0 HA GLU A 36 98.286 95.413 -38.073 1.00 0.00 H new ATOM 0 HB2 GLU A 36 97.643 95.944 -35.409 1.00 0.00 H new ATOM 0 HB3 GLU A 36 97.649 97.536 -36.141 1.00 0.00 H new ATOM 0 HG2 GLU A 36 96.038 96.863 -37.832 1.00 0.00 H new ATOM 0 HG3 GLU A 36 96.192 95.172 -37.398 1.00 0.00 H new ATOM 579 N VAL A 37 100.286 97.916 -37.248 1.00 0.00 N ATOM 580 CA VAL A 37 100.898 99.093 -37.852 1.00 0.00 C ATOM 581 C VAL A 37 101.599 98.744 -39.181 1.00 0.00 C ATOM 582 O VAL A 37 101.512 99.493 -40.146 1.00 0.00 O ATOM 583 CB VAL A 37 101.904 99.717 -36.876 1.00 0.00 C ATOM 584 CG1 VAL A 37 102.734 100.812 -37.553 1.00 0.00 C ATOM 585 CG2 VAL A 37 101.202 100.264 -35.629 1.00 0.00 C ATOM 0 H VAL A 37 100.613 97.663 -36.316 1.00 0.00 H new ATOM 0 HA VAL A 37 100.107 99.811 -38.068 1.00 0.00 H new ATOM 0 HB VAL A 37 102.585 98.926 -36.562 1.00 0.00 H new ATOM 0 HG11 VAL A 37 103.437 101.233 -36.834 1.00 0.00 H new ATOM 0 HG12 VAL A 37 103.285 100.385 -38.391 1.00 0.00 H new ATOM 0 HG13 VAL A 37 102.072 101.598 -37.916 1.00 0.00 H new ATOM 0 HG21 VAL A 37 101.941 100.700 -34.957 1.00 0.00 H new ATOM 0 HG22 VAL A 37 100.483 101.029 -35.922 1.00 0.00 H new ATOM 0 HG23 VAL A 37 100.681 99.453 -35.119 1.00 0.00 H new ATOM 595 N ARG A 38 102.288 97.584 -39.188 1.00 0.00 N ATOM 596 CA ARG A 38 102.759 97.061 -40.457 1.00 0.00 C ATOM 597 C ARG A 38 101.628 96.945 -41.505 1.00 0.00 C ATOM 598 O ARG A 38 101.790 97.325 -42.659 1.00 0.00 O ATOM 599 CB ARG A 38 103.397 95.696 -40.224 1.00 0.00 C ATOM 600 CG ARG A 38 104.709 95.802 -39.445 1.00 0.00 C ATOM 601 CD ARG A 38 105.867 95.131 -40.181 1.00 0.00 C ATOM 602 NE ARG A 38 107.120 95.438 -39.518 1.00 0.00 N ATOM 603 CZ ARG A 38 108.207 94.715 -39.842 1.00 0.00 C ATOM 604 NH1 ARG A 38 108.319 93.458 -39.423 1.00 0.00 N ATOM 605 NH2 ARG A 38 109.172 95.258 -40.579 1.00 0.00 N ATOM 0 H ARG A 38 102.515 97.025 -38.365 1.00 0.00 H new ATOM 0 HA ARG A 38 103.491 97.761 -40.858 1.00 0.00 H new ATOM 0 HB2 ARG A 38 102.701 95.059 -39.677 1.00 0.00 H new ATOM 0 HB3 ARG A 38 103.583 95.214 -41.184 1.00 0.00 H new ATOM 0 HG2 ARG A 38 104.947 96.852 -39.276 1.00 0.00 H new ATOM 0 HG3 ARG A 38 104.587 95.341 -38.465 1.00 0.00 H new ATOM 0 HD2 ARG A 38 105.715 94.052 -40.208 1.00 0.00 H new ATOM 0 HD3 ARG A 38 105.899 95.474 -41.215 1.00 0.00 H new ATOM 0 HE ARG A 38 107.175 96.183 -38.824 1.00 0.00 H new ATOM 0 HH11 ARG A 38 107.580 93.042 -38.856 1.00 0.00 H new ATOM 0 HH12 ARG A 38 109.143 92.910 -39.669 1.00 0.00 H new ATOM 0 HH21 ARG A 38 109.088 96.223 -40.899 1.00 0.00 H new ATOM 0 HH22 ARG A 38 109.996 94.709 -40.824 1.00 0.00 H new ATOM 619 N GLU A 39 100.486 96.402 -41.034 1.00 0.00 N ATOM 620 CA GLU A 39 99.432 96.038 -41.970 1.00 0.00 C ATOM 621 C GLU A 39 98.729 97.270 -42.581 1.00 0.00 C ATOM 622 O GLU A 39 98.430 97.305 -43.769 1.00 0.00 O ATOM 623 CB GLU A 39 98.407 95.185 -41.227 1.00 0.00 C ATOM 624 CG GLU A 39 99.004 93.846 -40.801 1.00 0.00 C ATOM 625 CD GLU A 39 98.513 92.706 -41.700 1.00 0.00 C ATOM 626 OE1 GLU A 39 98.902 92.669 -42.866 1.00 0.00 O ATOM 627 OE2 GLU A 39 97.748 91.870 -41.222 1.00 0.00 O ATOM 0 H GLU A 39 100.285 96.216 -40.051 1.00 0.00 H new ATOM 0 HA GLU A 39 99.885 95.488 -42.795 1.00 0.00 H new ATOM 0 HB2 GLU A 39 98.051 95.723 -40.348 1.00 0.00 H new ATOM 0 HB3 GLU A 39 97.542 95.013 -41.867 1.00 0.00 H new ATOM 0 HG2 GLU A 39 100.092 93.901 -40.842 1.00 0.00 H new ATOM 0 HG3 GLU A 39 98.734 93.638 -39.766 1.00 0.00 H new ATOM 719 N ASN A 46 108.161 98.570 -44.408 1.00 0.00 N ATOM 720 CA ASN A 46 108.432 97.634 -43.327 1.00 0.00 C ATOM 721 C ASN A 46 109.658 98.051 -42.494 1.00 0.00 C ATOM 722 O ASN A 46 109.605 98.106 -41.271 1.00 0.00 O ATOM 723 CB ASN A 46 108.610 96.221 -43.878 1.00 0.00 C ATOM 724 CG ASN A 46 109.738 96.154 -44.913 1.00 0.00 C ATOM 725 OD1 ASN A 46 110.874 95.806 -44.611 1.00 0.00 O ATOM 726 ND2 ASN A 46 109.343 96.515 -46.146 1.00 0.00 N ATOM 0 HA ASN A 46 107.570 97.647 -42.660 1.00 0.00 H new ATOM 0 HB2 ASN A 46 108.827 95.536 -43.059 1.00 0.00 H new ATOM 0 HB3 ASN A 46 107.678 95.888 -44.334 1.00 0.00 H new ATOM 0 HD21 ASN A 46 110.011 96.512 -46.917 1.00 0.00 H new ATOM 0 HD22 ASN A 46 108.375 96.792 -46.311 1.00 0.00 H new ATOM 733 N ALA A 47 110.755 98.336 -43.221 1.00 0.00 N ATOM 734 CA ALA A 47 111.975 98.713 -42.526 1.00 0.00 C ATOM 735 C ALA A 47 111.783 99.995 -41.695 1.00 0.00 C ATOM 736 O ALA A 47 112.188 100.061 -40.540 1.00 0.00 O ATOM 737 CB ALA A 47 113.102 98.914 -43.539 1.00 0.00 C ATOM 0 H ALA A 47 110.813 98.312 -44.239 1.00 0.00 H new ATOM 0 HA ALA A 47 112.234 97.907 -41.839 1.00 0.00 H new ATOM 0 HB1 ALA A 47 114.015 99.197 -43.016 1.00 0.00 H new ATOM 0 HB2 ALA A 47 113.269 97.986 -44.086 1.00 0.00 H new ATOM 0 HB3 ALA A 47 112.826 99.703 -44.239 1.00 0.00 H new ATOM 743 N VAL A 48 111.150 101.002 -42.332 1.00 0.00 N ATOM 744 CA VAL A 48 110.974 102.239 -41.585 1.00 0.00 C ATOM 745 C VAL A 48 110.017 102.034 -40.396 1.00 0.00 C ATOM 746 O VAL A 48 110.283 102.494 -39.295 1.00 0.00 O ATOM 747 CB VAL A 48 110.483 103.377 -42.487 1.00 0.00 C ATOM 748 CG1 VAL A 48 111.352 103.514 -43.736 1.00 0.00 C ATOM 749 CG2 VAL A 48 109.014 103.215 -42.869 1.00 0.00 C ATOM 0 H VAL A 48 110.783 100.983 -43.283 1.00 0.00 H new ATOM 0 HA VAL A 48 111.950 102.525 -41.193 1.00 0.00 H new ATOM 0 HB VAL A 48 110.572 104.295 -41.907 1.00 0.00 H new ATOM 0 HG11 VAL A 48 110.976 104.330 -44.353 1.00 0.00 H new ATOM 0 HG12 VAL A 48 112.380 103.725 -43.442 1.00 0.00 H new ATOM 0 HG13 VAL A 48 111.321 102.585 -44.305 1.00 0.00 H new ATOM 0 HG21 VAL A 48 108.711 104.044 -43.508 1.00 0.00 H new ATOM 0 HG22 VAL A 48 108.879 102.275 -43.405 1.00 0.00 H new ATOM 0 HG23 VAL A 48 108.402 103.209 -41.967 1.00 0.00 H new ATOM 759 N VAL A 49 108.905 101.326 -40.677 1.00 0.00 N ATOM 760 CA VAL A 49 107.860 101.194 -39.670 1.00 0.00 C ATOM 761 C VAL A 49 108.385 100.535 -38.376 1.00 0.00 C ATOM 762 O VAL A 49 108.063 100.959 -37.273 1.00 0.00 O ATOM 763 CB VAL A 49 106.699 100.404 -40.283 1.00 0.00 C ATOM 764 CG1 VAL A 49 105.700 99.911 -39.237 1.00 0.00 C ATOM 765 CG2 VAL A 49 105.975 101.264 -41.311 1.00 0.00 C ATOM 0 H VAL A 49 108.720 100.856 -41.563 1.00 0.00 H new ATOM 0 HA VAL A 49 107.512 102.184 -39.376 1.00 0.00 H new ATOM 0 HB VAL A 49 107.131 99.524 -40.759 1.00 0.00 H new ATOM 0 HG11 VAL A 49 104.900 99.358 -39.730 1.00 0.00 H new ATOM 0 HG12 VAL A 49 106.208 99.258 -38.528 1.00 0.00 H new ATOM 0 HG13 VAL A 49 105.278 100.764 -38.706 1.00 0.00 H new ATOM 0 HG21 VAL A 49 105.151 100.697 -41.744 1.00 0.00 H new ATOM 0 HG22 VAL A 49 105.585 102.159 -40.827 1.00 0.00 H new ATOM 0 HG23 VAL A 49 106.671 101.552 -42.099 1.00 0.00 H new ATOM 775 N ASN A 50 109.205 99.485 -38.578 1.00 0.00 N ATOM 776 CA ASN A 50 109.913 98.888 -37.455 1.00 0.00 C ATOM 777 C ASN A 50 110.720 99.931 -36.656 1.00 0.00 C ATOM 778 O ASN A 50 110.664 99.982 -35.434 1.00 0.00 O ATOM 779 CB ASN A 50 110.882 97.848 -38.017 1.00 0.00 C ATOM 780 CG ASN A 50 111.269 96.850 -36.928 1.00 0.00 C ATOM 781 OD1 ASN A 50 110.726 95.756 -36.823 1.00 0.00 O ATOM 782 ND2 ASN A 50 112.245 97.314 -36.133 1.00 0.00 N ATOM 0 H ASN A 50 109.383 99.051 -39.484 1.00 0.00 H new ATOM 0 HA ASN A 50 109.182 98.445 -36.778 1.00 0.00 H new ATOM 0 HB2 ASN A 50 110.420 97.324 -38.854 1.00 0.00 H new ATOM 0 HB3 ASN A 50 111.774 98.342 -38.403 1.00 0.00 H new ATOM 0 HD21 ASN A 50 112.593 96.740 -35.365 1.00 0.00 H new ATOM 0 HD22 ASN A 50 112.639 98.241 -36.297 1.00 0.00 H new ATOM 789 N SER A 51 111.462 100.752 -37.424 1.00 0.00 N ATOM 790 CA SER A 51 112.232 101.804 -36.776 1.00 0.00 C ATOM 791 C SER A 51 111.336 102.825 -36.044 1.00 0.00 C ATOM 792 O SER A 51 111.640 103.241 -34.935 1.00 0.00 O ATOM 793 CB SER A 51 113.091 102.520 -37.828 1.00 0.00 C ATOM 794 OG SER A 51 113.553 103.810 -37.449 1.00 0.00 O ATOM 0 H SER A 51 111.538 100.706 -38.440 1.00 0.00 H new ATOM 0 HA SER A 51 112.865 101.337 -36.021 1.00 0.00 H new ATOM 0 HB2 SER A 51 113.954 101.895 -38.058 1.00 0.00 H new ATOM 0 HB3 SER A 51 112.511 102.613 -38.746 1.00 0.00 H new ATOM 0 HG SER A 51 114.091 104.191 -38.174 1.00 0.00 H new ATOM 800 N ASN A 52 110.236 103.212 -36.723 1.00 0.00 N ATOM 801 CA ASN A 52 109.436 104.342 -36.276 1.00 0.00 C ATOM 802 C ASN A 52 108.688 104.079 -34.951 1.00 0.00 C ATOM 803 O ASN A 52 108.547 104.955 -34.108 1.00 0.00 O ATOM 804 CB ASN A 52 108.404 104.644 -37.357 1.00 0.00 C ATOM 805 CG ASN A 52 109.082 105.064 -38.669 1.00 0.00 C ATOM 806 OD1 ASN A 52 108.527 104.500 -39.758 1.00 0.00 O flip ATOM 807 ND2 ASN A 52 110.038 105.829 -38.687 1.00 0.00 N flip ATOM 0 H ASN A 52 109.895 102.758 -37.570 1.00 0.00 H new ATOM 0 HA ASN A 52 110.116 105.175 -36.100 1.00 0.00 H new ATOM 0 HB2 ASN A 52 107.786 103.763 -37.530 1.00 0.00 H new ATOM 0 HB3 ASN A 52 107.739 105.438 -37.017 1.00 0.00 H new ATOM 0 HD21 ASN A 52 110.399 106.214 -37.814 1.00 0.00 H new ATOM 0 HD22 ASN A 52 110.473 106.081 -39.575 1.00 0.00 H new ATOM 814 N ILE A 53 108.179 102.844 -34.834 1.00 0.00 N ATOM 815 CA ILE A 53 107.540 102.458 -33.591 1.00 0.00 C ATOM 816 C ILE A 53 108.561 102.357 -32.442 1.00 0.00 C ATOM 817 O ILE A 53 108.357 102.886 -31.356 1.00 0.00 O ATOM 818 CB ILE A 53 106.842 101.112 -33.779 1.00 0.00 C ATOM 819 CG1 ILE A 53 105.872 101.106 -34.965 1.00 0.00 C ATOM 820 CG2 ILE A 53 106.101 100.712 -32.506 1.00 0.00 C ATOM 821 CD1 ILE A 53 105.574 99.683 -35.422 1.00 0.00 C ATOM 0 H ILE A 53 108.200 102.128 -35.560 1.00 0.00 H new ATOM 0 HA ILE A 53 106.811 103.225 -33.327 1.00 0.00 H new ATOM 0 HB ILE A 53 107.625 100.385 -33.995 1.00 0.00 H new ATOM 0 HG12 ILE A 53 104.944 101.602 -34.682 1.00 0.00 H new ATOM 0 HG13 ILE A 53 106.299 101.675 -35.791 1.00 0.00 H new ATOM 0 HG21 ILE A 53 105.610 99.751 -32.658 1.00 0.00 H new ATOM 0 HG22 ILE A 53 106.810 100.631 -31.682 1.00 0.00 H new ATOM 0 HG23 ILE A 53 105.353 101.468 -32.267 1.00 0.00 H new ATOM 0 HD11 ILE A 53 104.883 99.709 -36.265 1.00 0.00 H new ATOM 0 HD12 ILE A 53 106.501 99.197 -35.727 1.00 0.00 H new ATOM 0 HD13 ILE A 53 105.125 99.124 -34.601 1.00 0.00 H new ATOM 833 N GLY A 54 109.658 101.636 -32.741 1.00 0.00 N ATOM 834 CA GLY A 54 110.713 101.506 -31.751 1.00 0.00 C ATOM 835 C GLY A 54 111.306 102.851 -31.304 1.00 0.00 C ATOM 836 O GLY A 54 111.574 103.066 -30.131 1.00 0.00 O ATOM 0 H GLY A 54 109.823 101.157 -33.626 1.00 0.00 H new ATOM 0 HA2 GLY A 54 110.319 100.984 -30.879 1.00 0.00 H new ATOM 0 HA3 GLY A 54 111.510 100.885 -32.161 1.00 0.00 H new ATOM 840 N VAL A 55 111.517 103.727 -32.298 1.00 0.00 N ATOM 841 CA VAL A 55 112.156 104.997 -31.988 1.00 0.00 C ATOM 842 C VAL A 55 111.260 105.917 -31.123 1.00 0.00 C ATOM 843 O VAL A 55 111.747 106.644 -30.265 1.00 0.00 O ATOM 844 CB VAL A 55 112.584 105.678 -33.287 1.00 0.00 C ATOM 845 CG1 VAL A 55 111.383 106.259 -34.007 1.00 0.00 C ATOM 846 CG2 VAL A 55 113.650 106.741 -33.037 1.00 0.00 C ATOM 0 H VAL A 55 111.266 103.584 -33.276 1.00 0.00 H new ATOM 0 HA VAL A 55 113.040 104.797 -31.383 1.00 0.00 H new ATOM 0 HB VAL A 55 113.031 104.920 -33.931 1.00 0.00 H new ATOM 0 HG11 VAL A 55 111.709 106.739 -34.929 1.00 0.00 H new ATOM 0 HG12 VAL A 55 110.679 105.461 -34.243 1.00 0.00 H new ATOM 0 HG13 VAL A 55 110.896 106.995 -33.367 1.00 0.00 H new ATOM 0 HG21 VAL A 55 113.931 107.204 -33.983 1.00 0.00 H new ATOM 0 HG22 VAL A 55 113.255 107.501 -32.363 1.00 0.00 H new ATOM 0 HG23 VAL A 55 114.527 106.277 -32.586 1.00 0.00 H new ATOM 856 N LEU A 56 109.936 105.854 -31.389 1.00 0.00 N ATOM 857 CA LEU A 56 108.986 106.362 -30.406 1.00 0.00 C ATOM 858 C LEU A 56 109.195 105.700 -29.025 1.00 0.00 C ATOM 859 O LEU A 56 109.272 106.368 -28.003 1.00 0.00 O ATOM 860 CB LEU A 56 107.582 106.010 -30.913 1.00 0.00 C ATOM 861 CG LEU A 56 107.004 107.003 -31.926 1.00 0.00 C ATOM 862 CD1 LEU A 56 108.065 107.748 -32.734 1.00 0.00 C ATOM 863 CD2 LEU A 56 106.072 106.272 -32.885 1.00 0.00 C ATOM 0 H LEU A 56 109.525 105.472 -32.241 1.00 0.00 H new ATOM 0 HA LEU A 56 109.124 107.437 -30.287 1.00 0.00 H new ATOM 0 HB2 LEU A 56 107.612 105.021 -31.370 1.00 0.00 H new ATOM 0 HB3 LEU A 56 106.907 105.947 -30.060 1.00 0.00 H new ATOM 0 HG LEU A 56 106.466 107.752 -31.345 1.00 0.00 H new ATOM 0 HD11 LEU A 56 107.579 108.432 -33.429 1.00 0.00 H new ATOM 0 HD12 LEU A 56 108.707 108.313 -32.058 1.00 0.00 H new ATOM 0 HD13 LEU A 56 108.667 107.031 -33.292 1.00 0.00 H new ATOM 0 HD21 LEU A 56 105.662 106.980 -33.605 1.00 0.00 H new ATOM 0 HD22 LEU A 56 106.628 105.498 -33.414 1.00 0.00 H new ATOM 0 HD23 LEU A 56 105.258 105.814 -32.323 1.00 0.00 H new ATOM 875 N ILE A 57 109.312 104.360 -29.054 1.00 0.00 N ATOM 876 CA ILE A 57 109.408 103.654 -27.783 1.00 0.00 C ATOM 877 C ILE A 57 110.664 104.067 -26.981 1.00 0.00 C ATOM 878 O ILE A 57 110.610 104.261 -25.772 1.00 0.00 O ATOM 879 CB ILE A 57 109.415 102.146 -28.036 1.00 0.00 C ATOM 880 CG1 ILE A 57 108.162 101.709 -28.815 1.00 0.00 C ATOM 881 CG2 ILE A 57 109.621 101.370 -26.731 1.00 0.00 C ATOM 882 CD1 ILE A 57 107.180 100.848 -28.022 1.00 0.00 C ATOM 0 H ILE A 57 109.340 103.781 -29.893 1.00 0.00 H new ATOM 0 HA ILE A 57 108.540 103.925 -27.183 1.00 0.00 H new ATOM 0 HB ILE A 57 110.266 101.902 -28.672 1.00 0.00 H new ATOM 0 HG12 ILE A 57 107.641 102.600 -29.166 1.00 0.00 H new ATOM 0 HG13 ILE A 57 108.477 101.155 -29.699 1.00 0.00 H new ATOM 0 HG21 ILE A 57 109.622 100.300 -26.940 1.00 0.00 H new ATOM 0 HG22 ILE A 57 110.575 101.653 -26.286 1.00 0.00 H new ATOM 0 HG23 ILE A 57 108.813 101.604 -26.037 1.00 0.00 H new ATOM 0 HD11 ILE A 57 106.330 100.590 -28.654 1.00 0.00 H new ATOM 0 HD12 ILE A 57 107.679 99.936 -27.694 1.00 0.00 H new ATOM 0 HD13 ILE A 57 106.830 101.403 -27.152 1.00 0.00 H new ATOM 894 N LYS A 58 111.781 104.187 -27.723 1.00 0.00 N ATOM 895 CA LYS A 58 113.063 104.444 -27.081 1.00 0.00 C ATOM 896 C LYS A 58 113.166 105.882 -26.511 1.00 0.00 C ATOM 897 O LYS A 58 113.935 106.145 -25.595 1.00 0.00 O ATOM 898 CB LYS A 58 114.183 104.142 -28.083 1.00 0.00 C ATOM 899 CG LYS A 58 114.456 105.298 -29.043 1.00 0.00 C ATOM 900 CD LYS A 58 115.635 106.160 -28.591 1.00 0.00 C ATOM 901 CE LYS A 58 116.771 106.158 -29.615 1.00 0.00 C ATOM 902 NZ LYS A 58 116.326 106.584 -30.937 1.00 0.00 N ATOM 0 H LYS A 58 111.814 104.111 -28.740 1.00 0.00 H new ATOM 0 HA LYS A 58 113.162 103.786 -26.218 1.00 0.00 H new ATOM 0 HB2 LYS A 58 115.097 103.907 -27.537 1.00 0.00 H new ATOM 0 HB3 LYS A 58 113.918 103.255 -28.658 1.00 0.00 H new ATOM 0 HG2 LYS A 58 114.659 104.901 -30.038 1.00 0.00 H new ATOM 0 HG3 LYS A 58 113.564 105.919 -29.123 1.00 0.00 H new ATOM 0 HD2 LYS A 58 115.295 107.183 -28.428 1.00 0.00 H new ATOM 0 HD3 LYS A 58 116.008 105.792 -27.635 1.00 0.00 H new ATOM 0 HE2 LYS A 58 117.567 106.818 -29.272 1.00 0.00 H new ATOM 0 HE3 LYS A 58 117.195 105.156 -29.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 116.205 105.751 -31.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 115.419 107.086 -30.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 117.036 107.219 -31.354 1.00 0.00 H new ATOM 916 N LYS A 59 112.352 106.783 -27.102 1.00 0.00 N ATOM 917 CA LYS A 59 112.108 108.075 -26.490 1.00 0.00 C ATOM 918 C LYS A 59 111.177 107.934 -25.271 1.00 0.00 C ATOM 919 O LYS A 59 111.468 108.423 -24.187 1.00 0.00 O ATOM 920 CB LYS A 59 111.445 108.965 -27.540 1.00 0.00 C ATOM 921 CG LYS A 59 112.352 109.239 -28.740 1.00 0.00 C ATOM 922 CD LYS A 59 111.551 109.743 -29.940 1.00 0.00 C ATOM 923 CE LYS A 59 112.442 110.424 -30.980 1.00 0.00 C ATOM 924 NZ LYS A 59 113.178 109.463 -31.793 1.00 0.00 N ATOM 0 H LYS A 59 111.868 106.629 -27.986 1.00 0.00 H new ATOM 0 HA LYS A 59 113.048 108.507 -26.147 1.00 0.00 H new ATOM 0 HB2 LYS A 59 110.527 108.490 -27.885 1.00 0.00 H new ATOM 0 HB3 LYS A 59 111.161 109.912 -27.081 1.00 0.00 H new ATOM 0 HG2 LYS A 59 113.106 109.978 -28.467 1.00 0.00 H new ATOM 0 HG3 LYS A 59 112.883 108.327 -29.012 1.00 0.00 H new ATOM 0 HD2 LYS A 59 111.028 108.907 -30.403 1.00 0.00 H new ATOM 0 HD3 LYS A 59 110.790 110.445 -29.599 1.00 0.00 H new ATOM 0 HE2 LYS A 59 111.828 111.049 -31.628 1.00 0.00 H new ATOM 0 HE3 LYS A 59 113.147 111.084 -30.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 113.818 109.971 -32.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 113.733 108.838 -31.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 112.508 108.894 -32.349 1.00 0.00 H new ATOM 938 N GLY A 60 110.048 107.239 -25.520 1.00 0.00 N ATOM 939 CA GLY A 60 108.759 107.842 -25.296 1.00 0.00 C ATOM 940 C GLY A 60 108.502 108.875 -26.390 1.00 0.00 C ATOM 941 O GLY A 60 108.990 109.996 -26.343 1.00 0.00 O ATOM 0 H GLY A 60 110.022 106.281 -25.869 1.00 0.00 H new ATOM 0 HA2 GLY A 60 107.979 107.080 -25.306 1.00 0.00 H new ATOM 0 HA3 GLY A 60 108.730 108.316 -24.315 1.00 0.00 H new ATOM 945 N LEU A 61 107.711 108.408 -27.371 1.00 0.00 N ATOM 946 CA LEU A 61 106.319 108.134 -27.107 1.00 0.00 C ATOM 947 C LEU A 61 105.841 107.163 -28.181 1.00 0.00 C ATOM 948 O LEU A 61 105.474 107.531 -29.290 1.00 0.00 O ATOM 949 CB LEU A 61 105.565 109.454 -27.260 1.00 0.00 C ATOM 950 CG LEU A 61 105.944 110.284 -28.506 1.00 0.00 C ATOM 951 CD1 LEU A 61 104.832 111.256 -28.851 1.00 0.00 C ATOM 952 CD2 LEU A 61 107.248 111.056 -28.325 1.00 0.00 C ATOM 0 H LEU A 61 108.017 108.221 -28.326 1.00 0.00 H new ATOM 0 HA LEU A 61 106.160 107.714 -26.114 1.00 0.00 H new ATOM 0 HB2 LEU A 61 104.496 109.242 -27.295 1.00 0.00 H new ATOM 0 HB3 LEU A 61 105.741 110.060 -26.371 1.00 0.00 H new ATOM 0 HG LEU A 61 106.089 109.574 -29.320 1.00 0.00 H new ATOM 0 HD11 LEU A 61 105.114 111.834 -29.731 1.00 0.00 H new ATOM 0 HD12 LEU A 61 103.916 110.702 -29.058 1.00 0.00 H new ATOM 0 HD13 LEU A 61 104.666 111.931 -28.012 1.00 0.00 H new ATOM 0 HD21 LEU A 61 107.465 111.621 -29.231 1.00 0.00 H new ATOM 0 HD22 LEU A 61 107.151 111.742 -27.484 1.00 0.00 H new ATOM 0 HD23 LEU A 61 108.061 110.356 -28.130 1.00 0.00 H new ATOM 964 N VAL A 62 105.843 105.891 -27.771 1.00 0.00 N ATOM 965 CA VAL A 62 104.688 105.101 -27.428 1.00 0.00 C ATOM 966 C VAL A 62 105.106 104.122 -26.320 1.00 0.00 C ATOM 967 O VAL A 62 106.255 103.708 -26.240 1.00 0.00 O ATOM 968 CB VAL A 62 104.217 104.366 -28.678 1.00 0.00 C ATOM 969 CG1 VAL A 62 105.296 103.424 -29.199 1.00 0.00 C ATOM 970 CG2 VAL A 62 102.909 103.616 -28.436 1.00 0.00 C ATOM 0 H VAL A 62 106.712 105.366 -27.668 1.00 0.00 H new ATOM 0 HA VAL A 62 103.864 105.716 -27.065 1.00 0.00 H new ATOM 0 HB VAL A 62 104.025 105.119 -29.442 1.00 0.00 H new ATOM 0 HG11 VAL A 62 104.933 102.913 -30.091 1.00 0.00 H new ATOM 0 HG12 VAL A 62 106.190 103.996 -29.447 1.00 0.00 H new ATOM 0 HG13 VAL A 62 105.538 102.688 -28.432 1.00 0.00 H new ATOM 0 HG21 VAL A 62 102.608 103.106 -29.351 1.00 0.00 H new ATOM 0 HG22 VAL A 62 103.051 102.883 -27.642 1.00 0.00 H new ATOM 0 HG23 VAL A 62 102.133 104.323 -28.142 1.00 0.00 H new ATOM 980 N GLU A 63 104.117 103.778 -25.478 1.00 0.00 N ATOM 981 CA GLU A 63 104.335 102.711 -24.509 1.00 0.00 C ATOM 982 C GLU A 63 103.624 101.429 -24.970 1.00 0.00 C ATOM 983 O GLU A 63 102.426 101.402 -25.217 1.00 0.00 O ATOM 984 CB GLU A 63 103.796 103.124 -23.141 1.00 0.00 C ATOM 985 CG GLU A 63 104.793 103.988 -22.370 1.00 0.00 C ATOM 986 CD GLU A 63 104.426 104.004 -20.885 1.00 0.00 C ATOM 987 OE1 GLU A 63 104.194 102.933 -20.326 1.00 0.00 O ATOM 988 OE2 GLU A 63 104.379 105.087 -20.304 1.00 0.00 O ATOM 0 H GLU A 63 103.193 104.210 -25.453 1.00 0.00 H new ATOM 0 HA GLU A 63 105.406 102.524 -24.432 1.00 0.00 H new ATOM 0 HB2 GLU A 63 102.864 103.674 -23.270 1.00 0.00 H new ATOM 0 HB3 GLU A 63 103.563 102.232 -22.559 1.00 0.00 H new ATOM 0 HG2 GLU A 63 105.803 103.598 -22.500 1.00 0.00 H new ATOM 0 HG3 GLU A 63 104.790 105.004 -22.766 1.00 0.00 H new ATOM 995 N LYS A 64 104.439 100.364 -25.053 1.00 0.00 N ATOM 996 CA LYS A 64 103.896 99.094 -25.471 1.00 0.00 C ATOM 997 C LYS A 64 103.210 98.413 -24.283 1.00 0.00 C ATOM 998 O LYS A 64 103.824 98.091 -23.274 1.00 0.00 O ATOM 999 CB LYS A 64 105.029 98.229 -26.010 1.00 0.00 C ATOM 1000 CG LYS A 64 104.555 96.816 -26.329 1.00 0.00 C ATOM 1001 CD LYS A 64 104.956 95.815 -25.245 1.00 0.00 C ATOM 1002 CE LYS A 64 106.404 95.344 -25.411 1.00 0.00 C ATOM 1003 NZ LYS A 64 107.235 95.625 -24.246 1.00 0.00 N ATOM 0 H LYS A 64 105.437 100.369 -24.842 1.00 0.00 H new ATOM 0 HA LYS A 64 103.154 99.240 -26.256 1.00 0.00 H new ATOM 0 HB2 LYS A 64 105.440 98.687 -26.910 1.00 0.00 H new ATOM 0 HB3 LYS A 64 105.835 98.186 -25.277 1.00 0.00 H new ATOM 0 HG2 LYS A 64 103.471 96.814 -26.440 1.00 0.00 H new ATOM 0 HG3 LYS A 64 104.973 96.501 -27.285 1.00 0.00 H new ATOM 0 HD2 LYS A 64 104.834 96.274 -24.264 1.00 0.00 H new ATOM 0 HD3 LYS A 64 104.288 94.954 -25.280 1.00 0.00 H new ATOM 0 HE2 LYS A 64 106.411 94.271 -25.604 1.00 0.00 H new ATOM 0 HE3 LYS A 64 106.839 95.828 -26.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 108.202 95.283 -24.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 107.256 96.650 -24.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 106.841 95.142 -23.414 1.00 0.00 H new ATOM 1017 N SER A 65 101.891 98.227 -24.485 1.00 0.00 N ATOM 1018 CA SER A 65 101.070 97.580 -23.470 1.00 0.00 C ATOM 1019 C SER A 65 100.562 96.244 -24.014 1.00 0.00 C ATOM 1020 O SER A 65 99.669 96.202 -24.849 1.00 0.00 O ATOM 1021 CB SER A 65 99.841 98.463 -23.199 1.00 0.00 C ATOM 1022 OG SER A 65 98.873 97.923 -22.306 1.00 0.00 O ATOM 0 H SER A 65 101.389 98.512 -25.326 1.00 0.00 H new ATOM 0 HA SER A 65 101.657 97.430 -22.564 1.00 0.00 H new ATOM 0 HB2 SER A 65 100.184 99.417 -22.799 1.00 0.00 H new ATOM 0 HB3 SER A 65 99.352 98.674 -24.150 1.00 0.00 H new ATOM 0 HG SER A 65 98.062 97.691 -22.804 1.00 0.00 H new ATOM 1028 N GLY A 66 101.163 95.164 -23.481 1.00 0.00 N ATOM 1029 CA GLY A 66 101.821 94.222 -24.375 1.00 0.00 C ATOM 1030 C GLY A 66 100.981 92.957 -24.542 1.00 0.00 C ATOM 1031 O GLY A 66 101.159 91.964 -23.845 1.00 0.00 O ATOM 0 H GLY A 66 101.202 94.937 -22.487 1.00 0.00 H new ATOM 0 HA2 GLY A 66 101.982 94.688 -25.347 1.00 0.00 H new ATOM 0 HA3 GLY A 66 102.803 93.963 -23.979 1.00 0.00 H new ATOM 1035 N ASP A 67 100.055 93.063 -25.512 1.00 0.00 N ATOM 1036 CA ASP A 67 100.465 93.042 -26.905 1.00 0.00 C ATOM 1037 C ASP A 67 99.491 93.875 -27.745 1.00 0.00 C ATOM 1038 O ASP A 67 98.788 93.363 -28.607 1.00 0.00 O ATOM 1039 CB ASP A 67 100.496 91.599 -27.410 1.00 0.00 C ATOM 1040 CG ASP A 67 101.823 90.941 -27.023 1.00 0.00 C ATOM 1041 OD1 ASP A 67 102.869 91.459 -27.409 1.00 0.00 O ATOM 1042 OD2 ASP A 67 101.794 89.919 -26.339 1.00 0.00 O ATOM 0 H ASP A 67 99.052 93.161 -25.354 1.00 0.00 H new ATOM 0 HA ASP A 67 101.463 93.471 -26.995 1.00 0.00 H new ATOM 0 HB2 ASP A 67 99.664 91.038 -26.985 1.00 0.00 H new ATOM 0 HB3 ASP A 67 100.373 91.581 -28.493 1.00 0.00 H new ATOM 1047 N GLY A 68 99.488 95.182 -27.420 1.00 0.00 N ATOM 1048 CA GLY A 68 99.542 96.203 -28.446 1.00 0.00 C ATOM 1049 C GLY A 68 100.245 97.453 -27.919 1.00 0.00 C ATOM 1050 O GLY A 68 100.566 97.571 -26.742 1.00 0.00 O ATOM 0 H GLY A 68 99.449 95.537 -26.465 1.00 0.00 H new ATOM 0 HA2 GLY A 68 100.071 95.822 -29.319 1.00 0.00 H new ATOM 0 HA3 GLY A 68 98.532 96.455 -28.770 1.00 0.00 H new ATOM 1054 N LEU A 69 100.457 98.375 -28.878 1.00 0.00 N ATOM 1055 CA LEU A 69 101.232 99.569 -28.600 1.00 0.00 C ATOM 1056 C LEU A 69 100.262 100.727 -28.372 1.00 0.00 C ATOM 1057 O LEU A 69 99.267 100.867 -29.072 1.00 0.00 O ATOM 1058 CB LEU A 69 102.152 99.857 -29.793 1.00 0.00 C ATOM 1059 CG LEU A 69 103.074 98.679 -30.146 1.00 0.00 C ATOM 1060 CD1 LEU A 69 104.362 99.173 -30.805 1.00 0.00 C ATOM 1061 CD2 LEU A 69 103.413 97.772 -28.961 1.00 0.00 C ATOM 0 H LEU A 69 100.103 98.306 -29.832 1.00 0.00 H new ATOM 0 HA LEU A 69 101.849 99.436 -27.711 1.00 0.00 H new ATOM 0 HB2 LEU A 69 101.542 100.106 -30.662 1.00 0.00 H new ATOM 0 HB3 LEU A 69 102.762 100.733 -29.570 1.00 0.00 H new ATOM 0 HG LEU A 69 102.505 98.070 -30.848 1.00 0.00 H new ATOM 0 HD11 LEU A 69 104.998 98.321 -31.045 1.00 0.00 H new ATOM 0 HD12 LEU A 69 104.119 99.713 -31.720 1.00 0.00 H new ATOM 0 HD13 LEU A 69 104.889 99.837 -30.120 1.00 0.00 H new ATOM 0 HD21 LEU A 69 104.067 96.966 -29.295 1.00 0.00 H new ATOM 0 HD22 LEU A 69 103.918 98.354 -28.190 1.00 0.00 H new ATOM 0 HD23 LEU A 69 102.495 97.349 -28.553 1.00 0.00 H new ATOM 1073 N ILE A 70 100.601 101.543 -27.354 1.00 0.00 N ATOM 1074 CA ILE A 70 99.714 102.655 -27.067 1.00 0.00 C ATOM 1075 C ILE A 70 100.494 103.777 -26.399 1.00 0.00 C ATOM 1076 O ILE A 70 101.453 103.560 -25.674 1.00 0.00 O ATOM 1077 CB ILE A 70 98.607 102.220 -26.116 1.00 0.00 C ATOM 1078 CG1 ILE A 70 99.166 101.604 -24.839 1.00 0.00 C ATOM 1079 CG2 ILE A 70 97.668 101.233 -26.790 1.00 0.00 C ATOM 1080 CD1 ILE A 70 98.112 101.595 -23.732 1.00 0.00 C ATOM 0 H ILE A 70 101.426 101.455 -26.761 1.00 0.00 H new ATOM 0 HA ILE A 70 99.282 102.997 -28.008 1.00 0.00 H new ATOM 0 HB ILE A 70 98.051 103.118 -25.847 1.00 0.00 H new ATOM 0 HG12 ILE A 70 99.500 100.585 -25.037 1.00 0.00 H new ATOM 0 HG13 ILE A 70 100.039 102.167 -24.511 1.00 0.00 H new ATOM 0 HG21 ILE A 70 96.887 100.938 -26.090 1.00 0.00 H new ATOM 0 HG22 ILE A 70 97.214 101.701 -27.664 1.00 0.00 H new ATOM 0 HG23 ILE A 70 98.229 100.351 -27.100 1.00 0.00 H new ATOM 0 HD11 ILE A 70 98.535 101.151 -22.831 1.00 0.00 H new ATOM 0 HD12 ILE A 70 97.798 102.617 -23.520 1.00 0.00 H new ATOM 0 HD13 ILE A 70 97.250 101.011 -24.055 1.00 0.00 H new ATOM 1092 N ILE A 71 100.005 104.995 -26.671 1.00 0.00 N ATOM 1093 CA ILE A 71 100.908 106.120 -26.582 1.00 0.00 C ATOM 1094 C ILE A 71 100.822 106.748 -25.192 1.00 0.00 C ATOM 1095 O ILE A 71 99.813 106.664 -24.503 1.00 0.00 O ATOM 1096 CB ILE A 71 100.552 107.122 -27.669 1.00 0.00 C ATOM 1097 CG1 ILE A 71 99.129 107.650 -27.452 1.00 0.00 C ATOM 1098 CG2 ILE A 71 100.754 106.479 -29.045 1.00 0.00 C ATOM 1099 CD1 ILE A 71 98.704 108.722 -28.455 1.00 0.00 C ATOM 0 H ILE A 71 99.044 105.208 -26.938 1.00 0.00 H new ATOM 0 HA ILE A 71 101.937 105.792 -26.732 1.00 0.00 H new ATOM 0 HB ILE A 71 101.214 107.987 -27.620 1.00 0.00 H new ATOM 0 HG12 ILE A 71 98.430 106.816 -27.510 1.00 0.00 H new ATOM 0 HG13 ILE A 71 99.054 108.059 -26.445 1.00 0.00 H new ATOM 0 HG21 ILE A 71 100.499 107.198 -29.824 1.00 0.00 H new ATOM 0 HG22 ILE A 71 101.796 106.178 -29.157 1.00 0.00 H new ATOM 0 HG23 ILE A 71 100.112 105.603 -29.135 1.00 0.00 H new ATOM 0 HD11 ILE A 71 97.686 109.044 -28.234 1.00 0.00 H new ATOM 0 HD12 ILE A 71 99.378 109.576 -28.383 1.00 0.00 H new ATOM 0 HD13 ILE A 71 98.744 108.312 -29.464 1.00 0.00 H new ATOM 1111 N THR A 72 101.954 107.380 -24.835 1.00 0.00 N ATOM 1112 CA THR A 72 102.005 108.048 -23.543 1.00 0.00 C ATOM 1113 C THR A 72 101.259 109.383 -23.643 1.00 0.00 C ATOM 1114 O THR A 72 100.845 109.821 -24.711 1.00 0.00 O ATOM 1115 CB THR A 72 103.458 108.245 -23.030 1.00 0.00 C ATOM 1116 OG1 THR A 72 103.742 109.566 -22.636 1.00 0.00 O ATOM 1117 CG2 THR A 72 104.571 107.790 -23.987 1.00 0.00 C ATOM 0 H THR A 72 102.802 107.437 -25.398 1.00 0.00 H new ATOM 0 HA THR A 72 101.516 107.411 -22.806 1.00 0.00 H new ATOM 0 HB THR A 72 103.470 107.582 -22.165 1.00 0.00 H new ATOM 0 HG1 THR A 72 104.532 109.572 -22.055 1.00 0.00 H new ATOM 0 HG21 THR A 72 105.543 107.974 -23.528 1.00 0.00 H new ATOM 0 HG22 THR A 72 104.462 106.725 -24.192 1.00 0.00 H new ATOM 0 HG23 THR A 72 104.499 108.348 -24.920 1.00 0.00 H new ATOM 1125 N GLY A 73 101.120 109.990 -22.452 1.00 0.00 N ATOM 1126 CA GLY A 73 100.609 111.353 -22.429 1.00 0.00 C ATOM 1127 C GLY A 73 101.397 112.327 -23.336 1.00 0.00 C ATOM 1128 O GLY A 73 100.839 113.299 -23.832 1.00 0.00 O ATOM 0 H GLY A 73 101.342 109.580 -21.545 1.00 0.00 H new ATOM 0 HA2 GLY A 73 99.564 111.345 -22.740 1.00 0.00 H new ATOM 0 HA3 GLY A 73 100.634 111.724 -21.404 1.00 0.00 H new ATOM 1132 N GLU A 74 102.705 112.035 -23.534 1.00 0.00 N ATOM 1133 CA GLU A 74 103.474 112.924 -24.396 1.00 0.00 C ATOM 1134 C GLU A 74 102.857 113.014 -25.802 1.00 0.00 C ATOM 1135 O GLU A 74 102.574 114.094 -26.303 1.00 0.00 O ATOM 1136 CB GLU A 74 104.924 112.448 -24.525 1.00 0.00 C ATOM 1137 CG GLU A 74 105.604 112.251 -23.168 1.00 0.00 C ATOM 1138 CD GLU A 74 106.160 110.831 -23.019 1.00 0.00 C ATOM 1139 OE1 GLU A 74 106.654 110.287 -24.004 1.00 0.00 O ATOM 1140 OE2 GLU A 74 106.093 110.288 -21.917 1.00 0.00 O ATOM 0 H GLU A 74 103.210 111.244 -23.134 1.00 0.00 H new ATOM 0 HA GLU A 74 103.453 113.910 -23.931 1.00 0.00 H new ATOM 0 HB2 GLU A 74 104.946 111.509 -25.078 1.00 0.00 H new ATOM 0 HB3 GLU A 74 105.490 113.174 -25.108 1.00 0.00 H new ATOM 0 HG2 GLU A 74 106.413 112.973 -23.057 1.00 0.00 H new ATOM 0 HG3 GLU A 74 104.889 112.448 -22.369 1.00 0.00 H new ATOM 1147 N ALA A 75 102.635 111.817 -26.384 1.00 0.00 N ATOM 1148 CA ALA A 75 101.952 111.771 -27.671 1.00 0.00 C ATOM 1149 C ALA A 75 100.573 112.439 -27.597 1.00 0.00 C ATOM 1150 O ALA A 75 100.233 113.265 -28.430 1.00 0.00 O ATOM 1151 CB ALA A 75 101.774 110.313 -28.108 1.00 0.00 C ATOM 0 H ALA A 75 102.908 110.914 -25.997 1.00 0.00 H new ATOM 0 HA ALA A 75 102.563 112.313 -28.393 1.00 0.00 H new ATOM 0 HB1 ALA A 75 101.263 110.281 -29.070 1.00 0.00 H new ATOM 0 HB2 ALA A 75 102.751 109.839 -28.200 1.00 0.00 H new ATOM 0 HB3 ALA A 75 101.181 109.780 -27.365 1.00 0.00 H new ATOM 1157 N GLN A 76 99.817 112.064 -26.551 1.00 0.00 N ATOM 1158 CA GLN A 76 98.429 112.498 -26.494 1.00 0.00 C ATOM 1159 C GLN A 76 98.273 114.035 -26.619 1.00 0.00 C ATOM 1160 O GLN A 76 97.320 114.520 -27.216 1.00 0.00 O ATOM 1161 CB GLN A 76 97.853 112.030 -25.160 1.00 0.00 C ATOM 1162 CG GLN A 76 97.464 110.552 -25.190 1.00 0.00 C ATOM 1163 CD GLN A 76 97.149 110.068 -23.773 1.00 0.00 C ATOM 1164 OE1 GLN A 76 96.850 110.846 -22.875 1.00 0.00 O ATOM 1165 NE2 GLN A 76 97.237 108.732 -23.642 1.00 0.00 N ATOM 0 H GLN A 76 100.133 111.488 -25.771 1.00 0.00 H new ATOM 0 HA GLN A 76 97.895 112.064 -27.340 1.00 0.00 H new ATOM 0 HB2 GLN A 76 98.586 112.196 -24.371 1.00 0.00 H new ATOM 0 HB3 GLN A 76 96.977 112.630 -24.913 1.00 0.00 H new ATOM 0 HG2 GLN A 76 96.596 110.408 -25.834 1.00 0.00 H new ATOM 0 HG3 GLN A 76 98.277 109.962 -25.613 1.00 0.00 H new ATOM 0 HE21 GLN A 76 97.493 108.157 -24.444 1.00 0.00 H new ATOM 0 HE22 GLN A 76 97.047 108.294 -22.740 1.00 0.00 H new ATOM 1174 N ASP A 77 99.244 114.763 -26.033 1.00 0.00 N ATOM 1175 CA ASP A 77 99.258 116.205 -26.210 1.00 0.00 C ATOM 1176 C ASP A 77 99.560 116.591 -27.670 1.00 0.00 C ATOM 1177 O ASP A 77 98.909 117.453 -28.245 1.00 0.00 O ATOM 1178 CB ASP A 77 100.316 116.814 -25.289 1.00 0.00 C ATOM 1179 CG ASP A 77 99.976 118.277 -24.999 1.00 0.00 C ATOM 1180 OD1 ASP A 77 99.651 119.001 -25.938 1.00 0.00 O ATOM 1181 OD2 ASP A 77 100.040 118.676 -23.837 1.00 0.00 O ATOM 0 H ASP A 77 99.996 114.384 -25.457 1.00 0.00 H new ATOM 0 HA ASP A 77 98.270 116.591 -25.958 1.00 0.00 H new ATOM 0 HB2 ASP A 77 100.366 116.252 -24.357 1.00 0.00 H new ATOM 0 HB3 ASP A 77 101.299 116.746 -25.755 1.00 0.00 H new ATOM 1186 N ILE A 78 100.578 115.903 -28.229 1.00 0.00 N ATOM 1187 CA ILE A 78 100.987 116.233 -29.582 1.00 0.00 C ATOM 1188 C ILE A 78 99.855 115.969 -30.592 1.00 0.00 C ATOM 1189 O ILE A 78 99.568 116.797 -31.444 1.00 0.00 O ATOM 1190 CB ILE A 78 102.215 115.378 -29.925 1.00 0.00 C ATOM 1191 CG1 ILE A 78 103.414 115.689 -29.023 1.00 0.00 C ATOM 1192 CG2 ILE A 78 102.611 115.484 -31.402 1.00 0.00 C ATOM 1193 CD1 ILE A 78 103.476 117.143 -28.546 1.00 0.00 C ATOM 0 H ILE A 78 101.102 115.152 -27.778 1.00 0.00 H new ATOM 0 HA ILE A 78 101.228 117.294 -29.641 1.00 0.00 H new ATOM 0 HB ILE A 78 101.915 114.347 -29.737 1.00 0.00 H new ATOM 0 HG12 ILE A 78 103.380 115.033 -28.153 1.00 0.00 H new ATOM 0 HG13 ILE A 78 104.332 115.455 -29.563 1.00 0.00 H new ATOM 0 HG21 ILE A 78 103.485 114.860 -31.590 1.00 0.00 H new ATOM 0 HG22 ILE A 78 101.783 115.147 -32.026 1.00 0.00 H new ATOM 0 HG23 ILE A 78 102.847 116.521 -31.642 1.00 0.00 H new ATOM 0 HD11 ILE A 78 104.353 117.281 -27.913 1.00 0.00 H new ATOM 0 HD12 ILE A 78 103.543 117.806 -29.408 1.00 0.00 H new ATOM 0 HD13 ILE A 78 102.577 117.378 -27.976 1.00 0.00 H new ATOM 1205 N ILE A 79 99.248 114.776 -30.459 1.00 0.00 N ATOM 1206 CA ILE A 79 98.244 114.364 -31.421 1.00 0.00 C ATOM 1207 C ILE A 79 97.019 115.288 -31.406 1.00 0.00 C ATOM 1208 O ILE A 79 96.508 115.678 -32.448 1.00 0.00 O ATOM 1209 CB ILE A 79 97.768 112.953 -31.079 1.00 0.00 C ATOM 1210 CG1 ILE A 79 98.906 111.950 -30.877 1.00 0.00 C ATOM 1211 CG2 ILE A 79 96.766 112.457 -32.119 1.00 0.00 C ATOM 1212 CD1 ILE A 79 100.162 112.259 -31.696 1.00 0.00 C ATOM 0 H ILE A 79 99.436 114.106 -29.713 1.00 0.00 H new ATOM 0 HA ILE A 79 98.704 114.405 -32.408 1.00 0.00 H new ATOM 0 HB ILE A 79 97.269 113.024 -30.112 1.00 0.00 H new ATOM 0 HG12 ILE A 79 99.171 111.925 -29.820 1.00 0.00 H new ATOM 0 HG13 ILE A 79 98.549 110.954 -31.140 1.00 0.00 H new ATOM 0 HG21 ILE A 79 96.439 111.451 -31.858 1.00 0.00 H new ATOM 0 HG22 ILE A 79 95.904 113.124 -32.141 1.00 0.00 H new ATOM 0 HG23 ILE A 79 97.239 112.442 -33.101 1.00 0.00 H new ATOM 0 HD11 ILE A 79 100.921 111.503 -31.497 1.00 0.00 H new ATOM 0 HD12 ILE A 79 99.914 112.254 -32.758 1.00 0.00 H new ATOM 0 HD13 ILE A 79 100.546 113.240 -31.417 1.00 0.00 H new ATOM 1224 N SER A 80 96.564 115.604 -30.178 1.00 0.00 N ATOM 1225 CA SER A 80 95.397 116.466 -30.084 1.00 0.00 C ATOM 1226 C SER A 80 95.632 117.827 -30.771 1.00 0.00 C ATOM 1227 O SER A 80 94.806 118.297 -31.544 1.00 0.00 O ATOM 1228 CB SER A 80 95.068 116.675 -28.600 1.00 0.00 C ATOM 1229 OG SER A 80 95.119 115.504 -27.792 1.00 0.00 O ATOM 0 H SER A 80 96.965 115.292 -29.294 1.00 0.00 H new ATOM 0 HA SER A 80 94.564 115.987 -30.598 1.00 0.00 H new ATOM 0 HB2 SER A 80 95.763 117.408 -28.191 1.00 0.00 H new ATOM 0 HB3 SER A 80 94.069 117.105 -28.524 1.00 0.00 H new ATOM 0 HG SER A 80 95.983 115.462 -27.331 1.00 0.00 H new ATOM 1235 N ASN A 81 96.800 118.421 -30.458 1.00 0.00 N ATOM 1236 CA ASN A 81 97.078 119.710 -31.076 1.00 0.00 C ATOM 1237 C ASN A 81 97.334 119.569 -32.590 1.00 0.00 C ATOM 1238 O ASN A 81 96.809 120.328 -33.394 1.00 0.00 O ATOM 1239 CB ASN A 81 98.300 120.353 -30.408 1.00 0.00 C ATOM 1240 CG ASN A 81 98.134 121.875 -30.372 1.00 0.00 C ATOM 1241 OD1 ASN A 81 98.592 122.596 -31.248 1.00 0.00 O ATOM 1242 ND2 ASN A 81 97.447 122.304 -29.297 1.00 0.00 N ATOM 0 H ASN A 81 97.513 118.055 -29.827 1.00 0.00 H new ATOM 0 HA ASN A 81 96.202 120.343 -30.937 1.00 0.00 H new ATOM 0 HB2 ASN A 81 98.417 119.967 -29.395 1.00 0.00 H new ATOM 0 HB3 ASN A 81 99.205 120.090 -30.956 1.00 0.00 H new ATOM 0 HD21 ASN A 81 97.274 123.301 -29.167 1.00 0.00 H new ATOM 0 HD22 ASN A 81 97.099 121.632 -28.613 1.00 0.00 H new ATOM 1249 N ALA A 82 98.158 118.558 -32.928 1.00 0.00 N ATOM 1250 CA ALA A 82 98.590 118.426 -34.311 1.00 0.00 C ATOM 1251 C ALA A 82 97.424 118.080 -35.247 1.00 0.00 C ATOM 1252 O ALA A 82 97.249 118.674 -36.301 1.00 0.00 O ATOM 1253 CB ALA A 82 99.650 117.341 -34.428 1.00 0.00 C ATOM 0 H ALA A 82 98.519 117.854 -32.285 1.00 0.00 H new ATOM 0 HA ALA A 82 98.999 119.391 -34.611 1.00 0.00 H new ATOM 0 HB1 ALA A 82 99.966 117.251 -35.467 1.00 0.00 H new ATOM 0 HB2 ALA A 82 100.508 117.603 -33.809 1.00 0.00 H new ATOM 0 HB3 ALA A 82 99.236 116.390 -34.091 1.00 0.00 H new