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= -0.605 USER MOD Single : A 12 ASN : amide:sc= -0.0591 X(o=-0.059,f=-0.0039) USER MOD Single : A 16 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot -147:sc= -0.853 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.0623 USER MOD Single : A 28 LYS NZ :NH3+ -168:sc=-0.00473 (180deg=-0.263) USER MOD Single : A 29 LYS NZ :NH3+ 155:sc= 0.189 (180deg=0.0497) USER MOD Single : A 33 THR OG1 : rot -80:sc= -1.52! USER MOD Single : A 46 ASN : amide:sc= -1.05 X(o=-1.1,f=-1.1) USER MOD Single : A 50 ASN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 ASN :FLIP amide:sc= -2.89 F(o=-5.5!,f=-2.9) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -123:sc= -1.2 (180deg=-3.75!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -104:sc= 1.15 USER MOD Single : A 72 THR OG1 : rot -145:sc= -1.76 USER MOD Single : A 76 GLN : amide:sc= -2.71 K(o=-2.7,f=-11!) USER MOD Single : A 80 SER OG : rot 101:sc= 1.12 USER MOD Single : A 81 ASN : amide:sc= -0.285 K(o=-0.28,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 53 N VAL A 4 101.593 114.107 -41.442 1.00 0.00 N ATOM 54 CA VAL A 4 102.800 113.839 -40.673 1.00 0.00 C ATOM 55 C VAL A 4 103.640 115.107 -40.419 1.00 0.00 C ATOM 56 O VAL A 4 104.205 115.288 -39.351 1.00 0.00 O ATOM 57 CB VAL A 4 103.637 112.785 -41.389 1.00 0.00 C ATOM 58 CG1 VAL A 4 102.824 111.511 -41.626 1.00 0.00 C ATOM 59 CG2 VAL A 4 104.220 113.333 -42.687 1.00 0.00 C ATOM 0 HA VAL A 4 102.489 113.470 -39.696 1.00 0.00 H new ATOM 0 HB VAL A 4 104.476 112.523 -40.744 1.00 0.00 H new ATOM 0 HG11 VAL A 4 103.443 110.774 -42.138 1.00 0.00 H new ATOM 0 HG12 VAL A 4 102.495 111.106 -40.669 1.00 0.00 H new ATOM 0 HG13 VAL A 4 101.954 111.744 -42.240 1.00 0.00 H new ATOM 0 HG21 VAL A 4 104.812 112.559 -43.175 1.00 0.00 H new ATOM 0 HG22 VAL A 4 103.410 113.642 -43.348 1.00 0.00 H new ATOM 0 HG23 VAL A 4 104.855 114.191 -42.467 1.00 0.00 H new ATOM 69 N THR A 5 103.698 115.967 -41.450 1.00 0.00 N ATOM 70 CA THR A 5 104.447 117.203 -41.309 1.00 0.00 C ATOM 71 C THR A 5 103.920 118.062 -40.137 1.00 0.00 C ATOM 72 O THR A 5 104.692 118.665 -39.401 1.00 0.00 O ATOM 73 CB THR A 5 104.279 117.988 -42.619 1.00 0.00 C ATOM 74 OG1 THR A 5 104.716 117.251 -43.745 1.00 0.00 O ATOM 75 CG2 THR A 5 104.876 119.399 -42.546 1.00 0.00 C ATOM 0 H THR A 5 103.249 115.828 -42.355 1.00 0.00 H new ATOM 0 HA THR A 5 105.491 116.970 -41.102 1.00 0.00 H new ATOM 0 HB THR A 5 103.208 118.136 -42.758 1.00 0.00 H new ATOM 0 HG1 THR A 5 104.590 117.787 -44.556 1.00 0.00 H new ATOM 0 HG21 THR A 5 104.728 119.906 -43.499 1.00 0.00 H new ATOM 0 HG22 THR A 5 104.382 119.963 -41.754 1.00 0.00 H new ATOM 0 HG23 THR A 5 105.943 119.332 -42.332 1.00 0.00 H new ATOM 83 N TYR A 6 102.579 118.086 -40.006 1.00 0.00 N ATOM 84 CA TYR A 6 101.982 118.729 -38.843 1.00 0.00 C ATOM 85 C TYR A 6 102.381 118.033 -37.523 1.00 0.00 C ATOM 86 O TYR A 6 102.582 118.688 -36.512 1.00 0.00 O ATOM 87 CB TYR A 6 100.453 118.744 -38.968 1.00 0.00 C ATOM 88 CG TYR A 6 99.967 119.683 -40.045 1.00 0.00 C ATOM 89 CD1 TYR A 6 100.379 121.040 -40.048 1.00 0.00 C ATOM 90 CD2 TYR A 6 99.089 119.229 -41.065 1.00 0.00 C ATOM 91 CE1 TYR A 6 99.930 121.929 -41.055 1.00 0.00 C ATOM 92 CE2 TYR A 6 98.642 120.113 -42.077 1.00 0.00 C ATOM 93 CZ TYR A 6 99.064 121.464 -42.073 1.00 0.00 C ATOM 94 OH TYR A 6 98.632 122.326 -43.061 1.00 0.00 O ATOM 0 H TYR A 6 101.919 117.681 -40.669 1.00 0.00 H new ATOM 0 HA TYR A 6 102.362 119.750 -38.814 1.00 0.00 H new ATOM 0 HB2 TYR A 6 100.100 117.736 -39.184 1.00 0.00 H new ATOM 0 HB3 TYR A 6 100.017 119.036 -38.013 1.00 0.00 H new ATOM 0 HD1 TYR A 6 101.042 121.399 -39.275 1.00 0.00 H new ATOM 0 HD2 TYR A 6 98.759 118.201 -41.069 1.00 0.00 H new ATOM 0 HE1 TYR A 6 100.248 122.961 -41.046 1.00 0.00 H new ATOM 0 HE2 TYR A 6 97.979 119.756 -42.852 1.00 0.00 H new ATOM 0 HH TYR A 6 98.045 121.845 -43.681 1.00 0.00 H new ATOM 104 N ILE A 7 102.464 116.686 -37.578 1.00 0.00 N ATOM 105 CA ILE A 7 102.898 115.936 -36.405 1.00 0.00 C ATOM 106 C ILE A 7 104.320 116.333 -35.968 1.00 0.00 C ATOM 107 O ILE A 7 104.590 116.551 -34.793 1.00 0.00 O ATOM 108 CB ILE A 7 102.849 114.438 -36.708 1.00 0.00 C ATOM 109 CG1 ILE A 7 101.476 114.039 -37.247 1.00 0.00 C ATOM 110 CG2 ILE A 7 103.210 113.615 -35.471 1.00 0.00 C ATOM 111 CD1 ILE A 7 100.361 114.578 -36.355 1.00 0.00 C ATOM 0 H ILE A 7 102.242 116.121 -38.398 1.00 0.00 H new ATOM 0 HA ILE A 7 102.220 116.173 -35.585 1.00 0.00 H new ATOM 0 HB ILE A 7 103.591 114.226 -37.478 1.00 0.00 H new ATOM 0 HG12 ILE A 7 101.354 114.422 -38.260 1.00 0.00 H new ATOM 0 HG13 ILE A 7 101.406 112.953 -37.306 1.00 0.00 H new ATOM 0 HG21 ILE A 7 103.167 112.554 -35.715 1.00 0.00 H new ATOM 0 HG22 ILE A 7 104.218 113.872 -35.144 1.00 0.00 H new ATOM 0 HG23 ILE A 7 102.503 113.832 -34.670 1.00 0.00 H new ATOM 0 HD11 ILE A 7 99.394 114.280 -36.761 1.00 0.00 H new ATOM 0 HD12 ILE A 7 100.472 114.174 -35.349 1.00 0.00 H new ATOM 0 HD13 ILE A 7 100.419 115.666 -36.317 1.00 0.00 H new ATOM 123 N ILE A 8 105.203 116.404 -36.982 1.00 0.00 N ATOM 124 CA ILE A 8 106.544 116.921 -36.761 1.00 0.00 C ATOM 125 C ILE A 8 106.506 118.338 -36.152 1.00 0.00 C ATOM 126 O ILE A 8 107.164 118.624 -35.160 1.00 0.00 O ATOM 127 CB ILE A 8 107.287 116.954 -38.102 1.00 0.00 C ATOM 128 CG1 ILE A 8 107.349 115.566 -38.746 1.00 0.00 C ATOM 129 CG2 ILE A 8 108.691 117.537 -37.935 1.00 0.00 C ATOM 130 CD1 ILE A 8 107.783 115.629 -40.210 1.00 0.00 C ATOM 0 H ILE A 8 105.007 116.113 -37.940 1.00 0.00 H new ATOM 0 HA ILE A 8 107.060 116.269 -36.056 1.00 0.00 H new ATOM 0 HB ILE A 8 106.724 117.604 -38.771 1.00 0.00 H new ATOM 0 HG12 ILE A 8 108.045 114.939 -38.189 1.00 0.00 H new ATOM 0 HG13 ILE A 8 106.370 115.092 -38.679 1.00 0.00 H new ATOM 0 HG21 ILE A 8 109.197 117.549 -38.900 1.00 0.00 H new ATOM 0 HG22 ILE A 8 108.619 118.554 -37.550 1.00 0.00 H new ATOM 0 HG23 ILE A 8 109.259 116.923 -37.236 1.00 0.00 H new ATOM 0 HD11 ILE A 8 107.813 114.621 -40.624 1.00 0.00 H new ATOM 0 HD12 ILE A 8 107.072 116.233 -40.774 1.00 0.00 H new ATOM 0 HD13 ILE A 8 108.774 116.078 -40.277 1.00 0.00 H new ATOM 142 N LYS A 9 105.696 119.194 -36.809 1.00 0.00 N ATOM 143 CA LYS A 9 105.546 120.565 -36.350 1.00 0.00 C ATOM 144 C LYS A 9 105.112 120.633 -34.874 1.00 0.00 C ATOM 145 O LYS A 9 105.714 121.324 -34.061 1.00 0.00 O ATOM 146 CB LYS A 9 104.472 121.224 -37.215 1.00 0.00 C ATOM 147 CG LYS A 9 104.492 122.749 -37.117 1.00 0.00 C ATOM 148 CD LYS A 9 104.642 123.405 -38.488 1.00 0.00 C ATOM 149 CE LYS A 9 103.468 123.076 -39.410 1.00 0.00 C ATOM 150 NZ LYS A 9 103.863 123.007 -40.811 1.00 0.00 N ATOM 0 H LYS A 9 105.153 118.956 -37.639 1.00 0.00 H new ATOM 0 HA LYS A 9 106.506 121.075 -36.434 1.00 0.00 H new ATOM 0 HB2 LYS A 9 104.616 120.929 -38.254 1.00 0.00 H new ATOM 0 HB3 LYS A 9 103.491 120.857 -36.912 1.00 0.00 H new ATOM 0 HG2 LYS A 9 103.571 123.095 -36.648 1.00 0.00 H new ATOM 0 HG3 LYS A 9 105.314 123.061 -36.473 1.00 0.00 H new ATOM 0 HD2 LYS A 9 104.716 124.486 -38.367 1.00 0.00 H new ATOM 0 HD3 LYS A 9 105.571 123.071 -38.950 1.00 0.00 H new ATOM 0 HE2 LYS A 9 103.031 122.123 -39.111 1.00 0.00 H new ATOM 0 HE3 LYS A 9 102.693 123.833 -39.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 103.033 122.781 -41.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 104.256 123.924 -41.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 104.583 122.267 -40.933 1.00 0.00 H new ATOM 164 N ALA A 10 104.034 119.876 -34.586 1.00 0.00 N ATOM 165 CA ALA A 10 103.422 119.967 -33.269 1.00 0.00 C ATOM 166 C ALA A 10 104.336 119.373 -32.183 1.00 0.00 C ATOM 167 O ALA A 10 104.532 119.968 -31.130 1.00 0.00 O ATOM 168 CB ALA A 10 102.063 119.255 -33.264 1.00 0.00 C ATOM 0 H ALA A 10 103.591 119.221 -35.230 1.00 0.00 H new ATOM 0 HA ALA A 10 103.273 121.023 -33.042 1.00 0.00 H new ATOM 0 HB1 ALA A 10 101.616 119.331 -32.273 1.00 0.00 H new ATOM 0 HB2 ALA A 10 101.404 119.723 -33.996 1.00 0.00 H new ATOM 0 HB3 ALA A 10 102.202 118.205 -33.520 1.00 0.00 H new ATOM 174 N SER A 11 104.884 118.175 -32.490 1.00 0.00 N ATOM 175 CA SER A 11 105.864 117.607 -31.577 1.00 0.00 C ATOM 176 C SER A 11 107.034 118.571 -31.292 1.00 0.00 C ATOM 177 O SER A 11 107.456 118.743 -30.155 1.00 0.00 O ATOM 178 CB SER A 11 106.415 116.294 -32.159 1.00 0.00 C ATOM 179 OG SER A 11 107.512 115.733 -31.447 1.00 0.00 O ATOM 0 H SER A 11 104.671 117.619 -33.319 1.00 0.00 H new ATOM 0 HA SER A 11 105.354 117.421 -30.632 1.00 0.00 H new ATOM 0 HB2 SER A 11 105.609 115.561 -32.190 1.00 0.00 H new ATOM 0 HB3 SER A 11 106.723 116.472 -33.189 1.00 0.00 H new ATOM 0 HG SER A 11 107.271 114.839 -31.127 1.00 0.00 H new ATOM 185 N ASN A 12 107.514 119.168 -32.405 1.00 0.00 N ATOM 186 CA ASN A 12 108.590 120.155 -32.422 1.00 0.00 C ATOM 187 C ASN A 12 109.882 119.509 -32.920 1.00 0.00 C ATOM 188 O ASN A 12 110.863 119.379 -32.198 1.00 0.00 O ATOM 189 CB ASN A 12 108.822 120.809 -31.057 1.00 0.00 C ATOM 190 CG ASN A 12 109.707 122.047 -31.211 1.00 0.00 C ATOM 191 OD1 ASN A 12 110.861 122.074 -30.799 1.00 0.00 O ATOM 192 ND2 ASN A 12 109.084 123.064 -31.832 1.00 0.00 N ATOM 0 H ASN A 12 107.147 118.964 -33.335 1.00 0.00 H new ATOM 0 HA ASN A 12 108.283 120.948 -33.104 1.00 0.00 H new ATOM 0 HB2 ASN A 12 107.867 121.088 -30.612 1.00 0.00 H new ATOM 0 HB3 ASN A 12 109.294 120.097 -30.379 1.00 0.00 H new ATOM 0 HD21 ASN A 12 109.577 123.943 -31.991 1.00 0.00 H new ATOM 0 HD22 ASN A 12 108.119 122.957 -32.144 1.00 0.00 H new ATOM 199 N ASP A 13 109.806 119.117 -34.206 1.00 0.00 N ATOM 200 CA ASP A 13 111.001 118.608 -34.870 1.00 0.00 C ATOM 201 C ASP A 13 111.658 117.460 -34.079 1.00 0.00 C ATOM 202 O ASP A 13 112.863 117.444 -33.859 1.00 0.00 O ATOM 203 CB ASP A 13 112.002 119.747 -35.063 1.00 0.00 C ATOM 204 CG ASP A 13 112.900 119.449 -36.265 1.00 0.00 C ATOM 205 OD1 ASP A 13 112.374 119.092 -37.317 1.00 0.00 O ATOM 206 OD2 ASP A 13 114.118 119.577 -36.134 1.00 0.00 O ATOM 0 H ASP A 13 108.963 119.143 -34.779 1.00 0.00 H new ATOM 0 HA ASP A 13 110.700 118.207 -35.838 1.00 0.00 H new ATOM 0 HB2 ASP A 13 111.472 120.687 -35.217 1.00 0.00 H new ATOM 0 HB3 ASP A 13 112.608 119.867 -34.165 1.00 0.00 H new ATOM 211 N VAL A 14 110.790 116.513 -33.670 1.00 0.00 N ATOM 212 CA VAL A 14 111.253 115.174 -33.341 1.00 0.00 C ATOM 213 C VAL A 14 111.043 114.239 -34.539 1.00 0.00 C ATOM 214 O VAL A 14 111.983 113.671 -35.083 1.00 0.00 O ATOM 215 CB VAL A 14 110.473 114.681 -32.121 1.00 0.00 C ATOM 216 CG1 VAL A 14 110.760 113.208 -31.822 1.00 0.00 C ATOM 217 CG2 VAL A 14 110.787 115.550 -30.902 1.00 0.00 C ATOM 0 H VAL A 14 109.786 116.658 -33.565 1.00 0.00 H new ATOM 0 HA VAL A 14 112.318 115.186 -33.110 1.00 0.00 H new ATOM 0 HB VAL A 14 109.411 114.766 -32.350 1.00 0.00 H new ATOM 0 HG11 VAL A 14 110.187 112.896 -30.949 1.00 0.00 H new ATOM 0 HG12 VAL A 14 110.474 112.600 -32.680 1.00 0.00 H new ATOM 0 HG13 VAL A 14 111.824 113.078 -31.624 1.00 0.00 H new ATOM 0 HG21 VAL A 14 110.225 115.187 -30.042 1.00 0.00 H new ATOM 0 HG22 VAL A 14 111.854 115.501 -30.685 1.00 0.00 H new ATOM 0 HG23 VAL A 14 110.506 116.583 -31.109 1.00 0.00 H new ATOM 227 N LEU A 15 109.753 114.120 -34.909 1.00 0.00 N ATOM 228 CA LEU A 15 109.394 113.091 -35.867 1.00 0.00 C ATOM 229 C LEU A 15 110.061 113.386 -37.214 1.00 0.00 C ATOM 230 O LEU A 15 110.582 114.467 -37.457 1.00 0.00 O ATOM 231 CB LEU A 15 107.874 113.039 -36.053 1.00 0.00 C ATOM 232 CG LEU A 15 107.099 112.623 -34.801 1.00 0.00 C ATOM 233 CD1 LEU A 15 107.543 111.261 -34.272 1.00 0.00 C ATOM 234 CD2 LEU A 15 107.163 113.687 -33.707 1.00 0.00 C ATOM 0 H LEU A 15 108.985 114.699 -34.571 1.00 0.00 H new ATOM 0 HA LEU A 15 109.737 112.128 -35.489 1.00 0.00 H new ATOM 0 HB2 LEU A 15 107.525 114.021 -36.372 1.00 0.00 H new ATOM 0 HB3 LEU A 15 107.642 112.341 -36.858 1.00 0.00 H new ATOM 0 HG LEU A 15 106.056 112.528 -35.105 1.00 0.00 H new ATOM 0 HD11 LEU A 15 106.964 111.010 -33.383 1.00 0.00 H new ATOM 0 HD12 LEU A 15 107.380 110.503 -35.038 1.00 0.00 H new ATOM 0 HD13 LEU A 15 108.602 111.297 -34.017 1.00 0.00 H new ATOM 0 HD21 LEU A 15 106.599 113.349 -32.837 1.00 0.00 H new ATOM 0 HD22 LEU A 15 108.202 113.855 -33.423 1.00 0.00 H new ATOM 0 HD23 LEU A 15 106.734 114.617 -34.079 1.00 0.00 H new ATOM 246 N ASN A 16 110.004 112.344 -38.065 1.00 0.00 N ATOM 247 CA ASN A 16 110.047 112.576 -39.501 1.00 0.00 C ATOM 248 C ASN A 16 108.602 112.661 -40.026 1.00 0.00 C ATOM 249 O ASN A 16 107.679 112.965 -39.280 1.00 0.00 O ATOM 250 CB ASN A 16 110.858 111.457 -40.172 1.00 0.00 C ATOM 251 CG ASN A 16 112.310 111.494 -39.691 1.00 0.00 C ATOM 252 OD1 ASN A 16 112.803 112.499 -39.194 1.00 0.00 O ATOM 253 ND2 ASN A 16 112.956 110.327 -39.876 1.00 0.00 N ATOM 0 H ASN A 16 109.930 111.366 -37.785 1.00 0.00 H new ATOM 0 HA ASN A 16 110.544 113.517 -39.737 1.00 0.00 H new ATOM 0 HB2 ASN A 16 110.415 110.488 -39.940 1.00 0.00 H new ATOM 0 HB3 ASN A 16 110.823 111.572 -41.255 1.00 0.00 H new ATOM 0 HD21 ASN A 16 113.932 110.234 -39.593 1.00 0.00 H new ATOM 0 HD22 ASN A 16 112.470 109.536 -40.299 1.00 0.00 H new ATOM 260 N GLU A 17 108.454 112.379 -41.337 1.00 0.00 N ATOM 261 CA GLU A 17 107.229 111.732 -41.788 1.00 0.00 C ATOM 262 C GLU A 17 106.974 110.416 -41.033 1.00 0.00 C ATOM 263 O GLU A 17 105.934 110.218 -40.418 1.00 0.00 O ATOM 264 CB GLU A 17 107.324 111.461 -43.289 1.00 0.00 C ATOM 265 CG GLU A 17 107.565 112.742 -44.087 1.00 0.00 C ATOM 266 CD GLU A 17 109.064 113.038 -44.159 1.00 0.00 C ATOM 267 OE1 GLU A 17 109.807 112.190 -44.653 1.00 0.00 O ATOM 268 OE2 GLU A 17 109.472 114.112 -43.719 1.00 0.00 O ATOM 0 H GLU A 17 109.140 112.582 -42.064 1.00 0.00 H new ATOM 0 HA GLU A 17 106.393 112.400 -41.582 1.00 0.00 H new ATOM 0 HB2 GLU A 17 108.134 110.757 -43.480 1.00 0.00 H new ATOM 0 HB3 GLU A 17 106.403 110.988 -43.631 1.00 0.00 H new ATOM 0 HG2 GLU A 17 107.158 112.636 -45.093 1.00 0.00 H new ATOM 0 HG3 GLU A 17 107.043 113.576 -43.618 1.00 0.00 H new ATOM 275 N LYS A 18 107.990 109.539 -41.127 1.00 0.00 N ATOM 276 CA LYS A 18 107.730 108.124 -40.912 1.00 0.00 C ATOM 277 C LYS A 18 107.267 107.841 -39.472 1.00 0.00 C ATOM 278 O LYS A 18 106.270 107.168 -39.244 1.00 0.00 O ATOM 279 CB LYS A 18 109.002 107.336 -41.216 1.00 0.00 C ATOM 280 CG LYS A 18 109.493 107.581 -42.639 1.00 0.00 C ATOM 281 CD LYS A 18 110.625 106.630 -43.014 1.00 0.00 C ATOM 282 CE LYS A 18 111.799 107.368 -43.662 1.00 0.00 C ATOM 283 NZ LYS A 18 112.864 107.664 -42.711 1.00 0.00 N ATOM 0 H LYS A 18 108.957 109.781 -41.342 1.00 0.00 H new ATOM 0 HA LYS A 18 106.925 107.815 -41.579 1.00 0.00 H new ATOM 0 HB2 LYS A 18 109.782 107.618 -40.509 1.00 0.00 H new ATOM 0 HB3 LYS A 18 108.813 106.272 -41.075 1.00 0.00 H new ATOM 0 HG2 LYS A 18 108.665 107.455 -43.337 1.00 0.00 H new ATOM 0 HG3 LYS A 18 109.836 108.611 -42.734 1.00 0.00 H new ATOM 0 HD2 LYS A 18 110.972 106.109 -42.122 1.00 0.00 H new ATOM 0 HD3 LYS A 18 110.249 105.871 -43.701 1.00 0.00 H new ATOM 0 HE2 LYS A 18 112.200 106.763 -44.475 1.00 0.00 H new ATOM 0 HE3 LYS A 18 111.441 108.298 -44.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 113.635 108.164 -43.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 112.491 108.263 -41.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 113.227 106.776 -42.308 1.00 0.00 H new ATOM 297 N THR A 19 108.048 108.397 -38.524 1.00 0.00 N ATOM 298 CA THR A 19 107.644 108.305 -37.129 1.00 0.00 C ATOM 299 C THR A 19 106.342 109.071 -36.817 1.00 0.00 C ATOM 300 O THR A 19 105.571 108.668 -35.957 1.00 0.00 O ATOM 301 CB THR A 19 108.791 108.793 -36.239 1.00 0.00 C ATOM 302 OG1 THR A 19 109.101 110.143 -36.504 1.00 0.00 O ATOM 303 CG2 THR A 19 110.037 107.914 -36.392 1.00 0.00 C ATOM 0 H THR A 19 108.923 108.892 -38.698 1.00 0.00 H new ATOM 0 HA THR A 19 107.426 107.258 -36.920 1.00 0.00 H new ATOM 0 HB THR A 19 108.453 108.716 -35.206 1.00 0.00 H new ATOM 0 HG1 THR A 19 110.061 110.290 -36.374 1.00 0.00 H new ATOM 0 HG21 THR A 19 110.830 108.291 -35.746 1.00 0.00 H new ATOM 0 HG22 THR A 19 109.796 106.889 -36.111 1.00 0.00 H new ATOM 0 HG23 THR A 19 110.373 107.936 -37.429 1.00 0.00 H new ATOM 311 N ALA A 20 106.136 110.190 -37.539 1.00 0.00 N ATOM 312 CA ALA A 20 104.909 110.940 -37.331 1.00 0.00 C ATOM 313 C ALA A 20 103.656 110.108 -37.673 1.00 0.00 C ATOM 314 O ALA A 20 102.695 110.083 -36.916 1.00 0.00 O ATOM 315 CB ALA A 20 104.957 112.197 -38.207 1.00 0.00 C ATOM 0 H ALA A 20 106.776 110.571 -38.236 1.00 0.00 H new ATOM 0 HA ALA A 20 104.838 111.205 -36.276 1.00 0.00 H new ATOM 0 HB1 ALA A 20 104.044 112.774 -38.065 1.00 0.00 H new ATOM 0 HB2 ALA A 20 105.817 112.804 -37.926 1.00 0.00 H new ATOM 0 HB3 ALA A 20 105.044 111.908 -39.254 1.00 0.00 H new ATOM 321 N THR A 21 103.713 109.433 -38.838 1.00 0.00 N ATOM 322 CA THR A 21 102.592 108.567 -39.183 1.00 0.00 C ATOM 323 C THR A 21 102.467 107.352 -38.246 1.00 0.00 C ATOM 324 O THR A 21 101.385 106.997 -37.797 1.00 0.00 O ATOM 325 CB THR A 21 102.696 108.133 -40.649 1.00 0.00 C ATOM 326 OG1 THR A 21 101.629 107.296 -41.045 1.00 0.00 O ATOM 327 CG2 THR A 21 104.049 107.505 -40.986 1.00 0.00 C ATOM 0 H THR A 21 104.477 109.470 -39.513 1.00 0.00 H new ATOM 0 HA THR A 21 101.678 109.146 -39.048 1.00 0.00 H new ATOM 0 HB THR A 21 102.617 109.051 -41.231 1.00 0.00 H new ATOM 0 HG1 THR A 21 101.740 107.048 -41.987 1.00 0.00 H new ATOM 0 HG21 THR A 21 104.065 107.217 -42.037 1.00 0.00 H new ATOM 0 HG22 THR A 21 104.843 108.227 -40.796 1.00 0.00 H new ATOM 0 HG23 THR A 21 104.205 106.622 -40.366 1.00 0.00 H new ATOM 335 N ILE A 22 103.633 106.734 -37.997 1.00 0.00 N ATOM 336 CA ILE A 22 103.658 105.533 -37.171 1.00 0.00 C ATOM 337 C ILE A 22 103.089 105.805 -35.765 1.00 0.00 C ATOM 338 O ILE A 22 102.215 105.096 -35.283 1.00 0.00 O ATOM 339 CB ILE A 22 105.108 105.056 -37.055 1.00 0.00 C ATOM 340 CG1 ILE A 22 105.670 104.670 -38.430 1.00 0.00 C ATOM 341 CG2 ILE A 22 105.274 103.933 -36.022 1.00 0.00 C ATOM 342 CD1 ILE A 22 105.642 103.165 -38.710 1.00 0.00 C ATOM 0 H ILE A 22 104.541 107.040 -38.347 1.00 0.00 H new ATOM 0 HA ILE A 22 103.036 104.769 -37.638 1.00 0.00 H new ATOM 0 HB ILE A 22 105.698 105.894 -36.683 1.00 0.00 H new ATOM 0 HG12 ILE A 22 105.099 105.184 -39.203 1.00 0.00 H new ATOM 0 HG13 ILE A 22 106.698 105.025 -38.504 1.00 0.00 H new ATOM 0 HG21 ILE A 22 106.320 103.631 -35.978 1.00 0.00 H new ATOM 0 HG22 ILE A 22 104.958 104.291 -35.042 1.00 0.00 H new ATOM 0 HG23 ILE A 22 104.661 103.079 -36.311 1.00 0.00 H new ATOM 0 HD11 ILE A 22 106.055 102.971 -39.700 1.00 0.00 H new ATOM 0 HD12 ILE A 22 106.238 102.644 -37.960 1.00 0.00 H new ATOM 0 HD13 ILE A 22 104.613 102.806 -38.670 1.00 0.00 H new ATOM 354 N LEU A 23 103.638 106.871 -35.148 1.00 0.00 N ATOM 355 CA LEU A 23 103.084 107.348 -33.888 1.00 0.00 C ATOM 356 C LEU A 23 101.562 107.582 -33.974 1.00 0.00 C ATOM 357 O LEU A 23 100.830 107.285 -33.041 1.00 0.00 O ATOM 358 CB LEU A 23 103.808 108.642 -33.484 1.00 0.00 C ATOM 359 CG LEU A 23 103.079 109.491 -32.434 1.00 0.00 C ATOM 360 CD1 LEU A 23 102.874 108.697 -31.144 1.00 0.00 C ATOM 361 CD2 LEU A 23 103.839 110.791 -32.165 1.00 0.00 C ATOM 0 H LEU A 23 104.439 107.397 -35.497 1.00 0.00 H new ATOM 0 HA LEU A 23 103.240 106.580 -33.130 1.00 0.00 H new ATOM 0 HB2 LEU A 23 104.795 108.384 -33.100 1.00 0.00 H new ATOM 0 HB3 LEU A 23 103.962 109.248 -34.377 1.00 0.00 H new ATOM 0 HG LEU A 23 102.097 109.752 -32.827 1.00 0.00 H new ATOM 0 HD11 LEU A 23 102.355 109.318 -30.413 1.00 0.00 H new ATOM 0 HD12 LEU A 23 102.278 107.809 -31.354 1.00 0.00 H new ATOM 0 HD13 LEU A 23 103.842 108.397 -30.743 1.00 0.00 H new ATOM 0 HD21 LEU A 23 103.304 111.377 -31.418 1.00 0.00 H new ATOM 0 HD22 LEU A 23 104.838 110.559 -31.797 1.00 0.00 H new ATOM 0 HD23 LEU A 23 103.917 111.365 -33.088 1.00 0.00 H new ATOM 373 N ILE A 24 101.138 108.147 -35.121 1.00 0.00 N ATOM 374 CA ILE A 24 99.725 108.430 -35.281 1.00 0.00 C ATOM 375 C ILE A 24 98.883 107.144 -35.321 1.00 0.00 C ATOM 376 O ILE A 24 97.854 107.041 -34.668 1.00 0.00 O ATOM 377 CB ILE A 24 99.550 109.276 -36.536 1.00 0.00 C ATOM 378 CG1 ILE A 24 100.116 110.662 -36.252 1.00 0.00 C ATOM 379 CG2 ILE A 24 98.099 109.320 -37.030 1.00 0.00 C ATOM 380 CD1 ILE A 24 99.067 111.601 -35.654 1.00 0.00 C ATOM 0 H ILE A 24 101.733 108.402 -35.909 1.00 0.00 H new ATOM 0 HA ILE A 24 99.360 108.986 -34.417 1.00 0.00 H new ATOM 0 HB ILE A 24 100.100 108.818 -37.358 1.00 0.00 H new ATOM 0 HG12 ILE A 24 100.958 110.575 -35.565 1.00 0.00 H new ATOM 0 HG13 ILE A 24 100.502 111.092 -37.176 1.00 0.00 H new ATOM 0 HG21 ILE A 24 98.038 109.938 -37.926 1.00 0.00 H new ATOM 0 HG22 ILE A 24 97.763 108.309 -37.262 1.00 0.00 H new ATOM 0 HG23 ILE A 24 97.463 109.744 -36.253 1.00 0.00 H new ATOM 0 HD11 ILE A 24 99.516 112.577 -35.468 1.00 0.00 H new ATOM 0 HD12 ILE A 24 98.237 111.710 -36.352 1.00 0.00 H new ATOM 0 HD13 ILE A 24 98.700 111.186 -34.715 1.00 0.00 H new ATOM 392 N THR A 25 99.371 106.180 -36.124 1.00 0.00 N ATOM 393 CA THR A 25 98.591 104.964 -36.287 1.00 0.00 C ATOM 394 C THR A 25 98.353 104.257 -34.936 1.00 0.00 C ATOM 395 O THR A 25 97.240 103.852 -34.623 1.00 0.00 O ATOM 396 CB THR A 25 99.324 104.017 -37.249 1.00 0.00 C ATOM 397 OG1 THR A 25 100.070 104.676 -38.257 1.00 0.00 O ATOM 398 CG2 THR A 25 98.366 102.990 -37.852 1.00 0.00 C ATOM 0 H THR A 25 100.251 106.221 -36.638 1.00 0.00 H new ATOM 0 HA THR A 25 97.617 105.234 -36.696 1.00 0.00 H new ATOM 0 HB THR A 25 100.060 103.495 -36.638 1.00 0.00 H new ATOM 0 HG1 THR A 25 100.508 104.011 -38.827 1.00 0.00 H new ATOM 0 HG21 THR A 25 98.914 102.334 -38.528 1.00 0.00 H new ATOM 0 HG22 THR A 25 97.919 102.397 -37.054 1.00 0.00 H new ATOM 0 HG23 THR A 25 97.580 103.506 -38.404 1.00 0.00 H new ATOM 406 N ILE A 26 99.453 104.136 -34.165 1.00 0.00 N ATOM 407 CA ILE A 26 99.296 103.676 -32.793 1.00 0.00 C ATOM 408 C ILE A 26 98.391 104.612 -31.974 1.00 0.00 C ATOM 409 O ILE A 26 97.451 104.187 -31.313 1.00 0.00 O ATOM 410 CB ILE A 26 100.660 103.590 -32.107 1.00 0.00 C ATOM 411 CG1 ILE A 26 101.699 102.799 -32.909 1.00 0.00 C ATOM 412 CG2 ILE A 26 100.509 102.982 -30.719 1.00 0.00 C ATOM 413 CD1 ILE A 26 103.080 103.438 -32.779 1.00 0.00 C ATOM 0 H ILE A 26 100.408 104.341 -34.459 1.00 0.00 H new ATOM 0 HA ILE A 26 98.830 102.692 -32.837 1.00 0.00 H new ATOM 0 HB ILE A 26 101.032 104.612 -32.035 1.00 0.00 H new ATOM 0 HG12 ILE A 26 101.734 101.769 -32.553 1.00 0.00 H new ATOM 0 HG13 ILE A 26 101.406 102.764 -33.958 1.00 0.00 H new ATOM 0 HG21 ILE A 26 101.486 102.925 -30.239 1.00 0.00 H new ATOM 0 HG22 ILE A 26 99.845 103.605 -30.119 1.00 0.00 H new ATOM 0 HG23 ILE A 26 100.088 101.980 -30.804 1.00 0.00 H new ATOM 0 HD11 ILE A 26 103.803 102.862 -33.356 1.00 0.00 H new ATOM 0 HD12 ILE A 26 103.045 104.459 -33.158 1.00 0.00 H new ATOM 0 HD13 ILE A 26 103.378 103.450 -31.731 1.00 0.00 H new ATOM 425 N ALA A 27 98.743 105.908 -32.070 1.00 0.00 N ATOM 426 CA ALA A 27 98.126 106.909 -31.206 1.00 0.00 C ATOM 427 C ALA A 27 96.588 106.866 -31.259 1.00 0.00 C ATOM 428 O ALA A 27 95.918 106.883 -30.233 1.00 0.00 O ATOM 429 CB ALA A 27 98.584 108.301 -31.648 1.00 0.00 C ATOM 0 H ALA A 27 99.436 106.272 -32.724 1.00 0.00 H new ATOM 0 HA ALA A 27 98.435 106.691 -30.184 1.00 0.00 H new ATOM 0 HB1 ALA A 27 98.127 109.055 -31.007 1.00 0.00 H new ATOM 0 HB2 ALA A 27 99.669 108.369 -31.571 1.00 0.00 H new ATOM 0 HB3 ALA A 27 98.282 108.472 -32.681 1.00 0.00 H new ATOM 435 N LYS A 28 96.070 106.810 -32.504 1.00 0.00 N ATOM 436 CA LYS A 28 94.632 106.691 -32.683 1.00 0.00 C ATOM 437 C LYS A 28 94.095 105.437 -31.975 1.00 0.00 C ATOM 438 O LYS A 28 93.227 105.503 -31.113 1.00 0.00 O ATOM 439 CB LYS A 28 94.296 106.674 -34.183 1.00 0.00 C ATOM 440 CG LYS A 28 93.678 107.998 -34.634 1.00 0.00 C ATOM 441 CD LYS A 28 92.341 108.268 -33.945 1.00 0.00 C ATOM 442 CE LYS A 28 92.259 109.692 -33.393 1.00 0.00 C ATOM 443 NZ LYS A 28 92.613 109.763 -31.980 1.00 0.00 N ATOM 0 H LYS A 28 96.615 106.845 -33.365 1.00 0.00 H new ATOM 0 HA LYS A 28 94.144 107.554 -32.229 1.00 0.00 H new ATOM 0 HB2 LYS A 28 95.202 106.480 -34.758 1.00 0.00 H new ATOM 0 HB3 LYS A 28 93.604 105.858 -34.393 1.00 0.00 H new ATOM 0 HG2 LYS A 28 94.369 108.813 -34.418 1.00 0.00 H new ATOM 0 HG3 LYS A 28 93.533 107.981 -35.714 1.00 0.00 H new ATOM 0 HD2 LYS A 28 91.529 108.106 -34.654 1.00 0.00 H new ATOM 0 HD3 LYS A 28 92.201 107.555 -33.132 1.00 0.00 H new ATOM 0 HE2 LYS A 28 92.925 110.339 -33.964 1.00 0.00 H new ATOM 0 HE3 LYS A 28 91.248 110.074 -33.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 92.350 110.696 -31.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 92.104 109.022 -31.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 93.638 109.622 -31.871 1.00 0.00 H new ATOM 457 N LYS A 29 94.675 104.299 -32.402 1.00 0.00 N ATOM 458 CA LYS A 29 94.073 103.017 -32.102 1.00 0.00 C ATOM 459 C LYS A 29 94.652 102.477 -30.788 1.00 0.00 C ATOM 460 O LYS A 29 95.850 102.271 -30.643 1.00 0.00 O ATOM 461 CB LYS A 29 94.383 102.038 -33.229 1.00 0.00 C ATOM 462 CG LYS A 29 93.684 100.707 -32.999 1.00 0.00 C ATOM 463 CD LYS A 29 93.849 99.784 -34.201 1.00 0.00 C ATOM 464 CE LYS A 29 92.660 99.874 -35.159 1.00 0.00 C ATOM 465 NZ LYS A 29 91.795 98.701 -35.101 1.00 0.00 N ATOM 0 H LYS A 29 95.539 104.255 -32.942 1.00 0.00 H new ATOM 0 HA LYS A 29 92.994 103.135 -32.005 1.00 0.00 H new ATOM 0 HB2 LYS A 29 94.064 102.461 -34.182 1.00 0.00 H new ATOM 0 HB3 LYS A 29 95.460 101.881 -33.294 1.00 0.00 H new ATOM 0 HG2 LYS A 29 94.093 100.227 -32.110 1.00 0.00 H new ATOM 0 HG3 LYS A 29 92.624 100.877 -32.811 1.00 0.00 H new ATOM 0 HD2 LYS A 29 94.764 100.042 -34.734 1.00 0.00 H new ATOM 0 HD3 LYS A 29 93.960 98.756 -33.856 1.00 0.00 H new ATOM 0 HE2 LYS A 29 92.075 100.763 -34.922 1.00 0.00 H new ATOM 0 HE3 LYS A 29 93.029 99.997 -36.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 90.836 98.961 -35.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 92.171 97.961 -35.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 91.760 98.344 -34.125 1.00 0.00 H new ATOM 479 N ASP A 30 93.713 102.264 -29.850 1.00 0.00 N ATOM 480 CA ASP A 30 94.072 101.826 -28.520 1.00 0.00 C ATOM 481 C ASP A 30 94.140 100.296 -28.477 1.00 0.00 C ATOM 482 O ASP A 30 93.126 99.609 -28.499 1.00 0.00 O ATOM 483 CB ASP A 30 93.010 102.317 -27.541 1.00 0.00 C ATOM 484 CG ASP A 30 93.047 103.845 -27.445 1.00 0.00 C ATOM 485 OD1 ASP A 30 94.120 104.391 -27.191 1.00 0.00 O ATOM 486 OD2 ASP A 30 92.003 104.470 -27.624 1.00 0.00 O ATOM 0 H ASP A 30 92.712 102.391 -30.001 1.00 0.00 H new ATOM 0 HA ASP A 30 95.047 102.231 -28.249 1.00 0.00 H new ATOM 0 HB2 ASP A 30 92.023 101.989 -27.869 1.00 0.00 H new ATOM 0 HB3 ASP A 30 93.181 101.879 -26.558 1.00 0.00 H new ATOM 491 N PHE A 31 95.396 99.814 -28.415 1.00 0.00 N ATOM 492 CA PHE A 31 95.650 98.424 -28.779 1.00 0.00 C ATOM 493 C PHE A 31 95.302 98.210 -30.261 1.00 0.00 C ATOM 494 O PHE A 31 94.450 97.403 -30.615 1.00 0.00 O ATOM 495 CB PHE A 31 94.847 97.421 -27.919 1.00 0.00 C ATOM 496 CG PHE A 31 94.918 97.609 -26.416 1.00 0.00 C ATOM 497 CD1 PHE A 31 95.993 98.304 -25.798 1.00 0.00 C ATOM 498 CD2 PHE A 31 93.884 97.085 -25.596 1.00 0.00 C ATOM 499 CE1 PHE A 31 96.020 98.492 -24.394 1.00 0.00 C ATOM 500 CE2 PHE A 31 93.914 97.259 -24.190 1.00 0.00 C ATOM 501 CZ PHE A 31 94.982 97.967 -23.589 1.00 0.00 C ATOM 0 H PHE A 31 96.216 100.349 -28.127 1.00 0.00 H new ATOM 0 HA PHE A 31 96.708 98.235 -28.597 1.00 0.00 H new ATOM 0 HB2 PHE A 31 93.801 97.474 -28.220 1.00 0.00 H new ATOM 0 HB3 PHE A 31 95.195 96.415 -28.154 1.00 0.00 H new ATOM 0 HD1 PHE A 31 96.797 98.693 -26.405 1.00 0.00 H new ATOM 0 HD2 PHE A 31 93.065 96.547 -26.049 1.00 0.00 H new ATOM 0 HE1 PHE A 31 96.834 99.037 -23.938 1.00 0.00 H new ATOM 0 HE2 PHE A 31 93.123 96.852 -23.578 1.00 0.00 H new ATOM 0 HZ PHE A 31 95.004 98.106 -22.518 1.00 0.00 H new ATOM 511 N ILE A 32 96.023 98.990 -31.092 1.00 0.00 N ATOM 512 CA ILE A 32 96.647 98.482 -32.302 1.00 0.00 C ATOM 513 C ILE A 32 97.469 97.214 -32.005 1.00 0.00 C ATOM 514 O ILE A 32 97.300 96.560 -30.984 1.00 0.00 O ATOM 515 CB ILE A 32 97.487 99.615 -32.925 1.00 0.00 C ATOM 516 CG1 ILE A 32 97.565 99.451 -34.438 1.00 0.00 C ATOM 517 CG2 ILE A 32 98.884 99.730 -32.312 1.00 0.00 C ATOM 518 CD1 ILE A 32 97.854 100.779 -35.136 1.00 0.00 C ATOM 0 H ILE A 32 96.181 99.985 -30.932 1.00 0.00 H new ATOM 0 HA ILE A 32 95.891 98.178 -33.026 1.00 0.00 H new ATOM 0 HB ILE A 32 96.976 100.550 -32.696 1.00 0.00 H new ATOM 0 HG12 ILE A 32 98.346 98.732 -34.686 1.00 0.00 H new ATOM 0 HG13 ILE A 32 96.625 99.042 -34.809 1.00 0.00 H new ATOM 0 HG21 ILE A 32 99.426 100.545 -32.792 1.00 0.00 H new ATOM 0 HG22 ILE A 32 98.797 99.931 -31.244 1.00 0.00 H new ATOM 0 HG23 ILE A 32 99.425 98.796 -32.462 1.00 0.00 H new ATOM 0 HD11 ILE A 32 97.902 100.621 -36.213 1.00 0.00 H new ATOM 0 HD12 ILE A 32 97.060 101.490 -34.909 1.00 0.00 H new ATOM 0 HD13 ILE A 32 98.807 101.175 -34.785 1.00 0.00 H new ATOM 530 N THR A 33 98.360 96.908 -32.964 1.00 0.00 N ATOM 531 CA THR A 33 99.668 96.400 -32.581 1.00 0.00 C ATOM 532 C THR A 33 100.723 96.945 -33.551 1.00 0.00 C ATOM 533 O THR A 33 100.438 97.734 -34.443 1.00 0.00 O ATOM 534 CB THR A 33 99.651 94.862 -32.601 1.00 0.00 C ATOM 535 OG1 THR A 33 99.607 94.334 -33.909 1.00 0.00 O ATOM 536 CG2 THR A 33 98.509 94.296 -31.746 1.00 0.00 C ATOM 0 H THR A 33 98.200 97.001 -33.967 1.00 0.00 H new ATOM 0 HA THR A 33 99.915 96.728 -31.571 1.00 0.00 H new ATOM 0 HB THR A 33 100.596 94.544 -32.160 1.00 0.00 H new ATOM 0 HG1 THR A 33 98.687 94.368 -34.245 1.00 0.00 H new ATOM 0 HG21 THR A 33 98.530 93.207 -31.785 1.00 0.00 H new ATOM 0 HG22 THR A 33 98.630 94.624 -30.714 1.00 0.00 H new ATOM 0 HG23 THR A 33 97.554 94.654 -32.131 1.00 0.00 H new ATOM 544 N ALA A 34 101.959 96.465 -33.317 1.00 0.00 N ATOM 545 CA ALA A 34 102.945 96.510 -34.392 1.00 0.00 C ATOM 546 C ALA A 34 102.431 95.885 -35.709 1.00 0.00 C ATOM 547 O ALA A 34 102.685 96.397 -36.791 1.00 0.00 O ATOM 548 CB ALA A 34 104.222 95.801 -33.939 1.00 0.00 C ATOM 0 H ALA A 34 102.280 96.062 -32.437 1.00 0.00 H new ATOM 0 HA ALA A 34 103.147 97.560 -34.603 1.00 0.00 H new ATOM 0 HB1 ALA A 34 104.960 95.833 -34.741 1.00 0.00 H new ATOM 0 HB2 ALA A 34 104.622 96.301 -33.057 1.00 0.00 H new ATOM 0 HB3 ALA A 34 103.995 94.763 -33.696 1.00 0.00 H new ATOM 554 N ALA A 35 101.703 94.761 -35.553 1.00 0.00 N ATOM 555 CA ALA A 35 101.206 94.057 -36.726 1.00 0.00 C ATOM 556 C ALA A 35 100.330 94.966 -37.612 1.00 0.00 C ATOM 557 O ALA A 35 100.527 95.056 -38.818 1.00 0.00 O ATOM 558 CB ALA A 35 100.425 92.809 -36.294 1.00 0.00 C ATOM 0 H ALA A 35 101.459 94.342 -34.656 1.00 0.00 H new ATOM 0 HA ALA A 35 102.065 93.754 -37.325 1.00 0.00 H new ATOM 0 HB1 ALA A 35 100.056 92.287 -37.177 1.00 0.00 H new ATOM 0 HB2 ALA A 35 101.081 92.147 -35.729 1.00 0.00 H new ATOM 0 HB3 ALA A 35 99.583 93.105 -35.669 1.00 0.00 H new ATOM 564 N GLU A 36 99.358 95.627 -36.951 1.00 0.00 N ATOM 565 CA GLU A 36 98.507 96.546 -37.691 1.00 0.00 C ATOM 566 C GLU A 36 99.307 97.712 -38.304 1.00 0.00 C ATOM 567 O GLU A 36 99.089 98.084 -39.450 1.00 0.00 O ATOM 568 CB GLU A 36 97.382 97.077 -36.793 1.00 0.00 C ATOM 569 CG GLU A 36 96.018 96.898 -37.452 1.00 0.00 C ATOM 570 CD GLU A 36 94.915 97.376 -36.507 1.00 0.00 C ATOM 571 OE1 GLU A 36 95.057 97.196 -35.299 1.00 0.00 O ATOM 572 OE2 GLU A 36 93.925 97.924 -36.990 1.00 0.00 O ATOM 0 H GLU A 36 99.157 95.542 -35.955 1.00 0.00 H new ATOM 0 HA GLU A 36 98.067 95.987 -38.517 1.00 0.00 H new ATOM 0 HB2 GLU A 36 97.398 96.553 -35.837 1.00 0.00 H new ATOM 0 HB3 GLU A 36 97.550 98.133 -36.581 1.00 0.00 H new ATOM 0 HG2 GLU A 36 95.979 97.461 -38.385 1.00 0.00 H new ATOM 0 HG3 GLU A 36 95.862 95.849 -37.706 1.00 0.00 H new ATOM 579 N VAL A 37 100.232 98.270 -37.494 1.00 0.00 N ATOM 580 CA VAL A 37 100.993 99.398 -38.011 1.00 0.00 C ATOM 581 C VAL A 37 101.790 99.018 -39.281 1.00 0.00 C ATOM 582 O VAL A 37 101.845 99.778 -40.240 1.00 0.00 O ATOM 583 CB VAL A 37 101.944 99.910 -36.924 1.00 0.00 C ATOM 584 CG1 VAL A 37 102.875 100.993 -37.471 1.00 0.00 C ATOM 585 CG2 VAL A 37 101.172 100.429 -35.708 1.00 0.00 C ATOM 0 H VAL A 37 100.452 97.974 -36.543 1.00 0.00 H new ATOM 0 HA VAL A 37 100.291 100.184 -38.290 1.00 0.00 H new ATOM 0 HB VAL A 37 102.554 99.067 -36.601 1.00 0.00 H new ATOM 0 HG11 VAL A 37 103.538 101.337 -36.678 1.00 0.00 H new ATOM 0 HG12 VAL A 37 103.469 100.584 -38.288 1.00 0.00 H new ATOM 0 HG13 VAL A 37 102.282 101.831 -37.838 1.00 0.00 H new ATOM 0 HG21 VAL A 37 101.875 100.785 -34.955 1.00 0.00 H new ATOM 0 HG22 VAL A 37 100.521 101.249 -36.013 1.00 0.00 H new ATOM 0 HG23 VAL A 37 100.569 99.624 -35.289 1.00 0.00 H new ATOM 595 N ARG A 38 102.397 97.813 -39.238 1.00 0.00 N ATOM 596 CA ARG A 38 102.916 97.226 -40.464 1.00 0.00 C ATOM 597 C ARG A 38 101.854 97.161 -41.584 1.00 0.00 C ATOM 598 O ARG A 38 102.121 97.488 -42.734 1.00 0.00 O ATOM 599 CB ARG A 38 103.432 95.825 -40.158 1.00 0.00 C ATOM 600 CG ARG A 38 104.632 95.850 -39.211 1.00 0.00 C ATOM 601 CD ARG A 38 105.735 94.882 -39.658 1.00 0.00 C ATOM 602 NE ARG A 38 106.897 95.604 -40.146 1.00 0.00 N ATOM 603 CZ ARG A 38 108.045 94.924 -40.313 1.00 0.00 C ATOM 604 NH1 ARG A 38 108.088 93.882 -41.139 1.00 0.00 N ATOM 605 NH2 ARG A 38 109.138 95.293 -39.652 1.00 0.00 N ATOM 0 H ARG A 38 102.531 97.255 -38.395 1.00 0.00 H new ATOM 0 HA ARG A 38 103.722 97.863 -40.828 1.00 0.00 H new ATOM 0 HB2 ARG A 38 102.632 95.233 -39.713 1.00 0.00 H new ATOM 0 HB3 ARG A 38 103.714 95.332 -41.088 1.00 0.00 H new ATOM 0 HG2 ARG A 38 105.035 96.862 -39.162 1.00 0.00 H new ATOM 0 HG3 ARG A 38 104.305 95.588 -38.205 1.00 0.00 H new ATOM 0 HD2 ARG A 38 106.024 94.244 -38.823 1.00 0.00 H new ATOM 0 HD3 ARG A 38 105.354 94.228 -40.442 1.00 0.00 H new ATOM 0 HE ARG A 38 106.844 96.601 -40.356 1.00 0.00 H new ATOM 0 HH11 ARG A 38 107.250 93.598 -41.646 1.00 0.00 H new ATOM 0 HH12 ARG A 38 108.959 93.367 -41.265 1.00 0.00 H new ATOM 0 HH21 ARG A 38 109.106 96.092 -39.018 1.00 0.00 H new ATOM 0 HH22 ARG A 38 110.009 94.777 -39.778 1.00 0.00 H new ATOM 619 N GLU A 39 100.647 96.717 -41.181 1.00 0.00 N ATOM 620 CA GLU A 39 99.648 96.377 -42.182 1.00 0.00 C ATOM 621 C GLU A 39 99.088 97.625 -42.894 1.00 0.00 C ATOM 622 O GLU A 39 98.884 97.630 -44.102 1.00 0.00 O ATOM 623 CB GLU A 39 98.510 95.624 -41.499 1.00 0.00 C ATOM 624 CG GLU A 39 98.979 94.270 -40.975 1.00 0.00 C ATOM 625 CD GLU A 39 98.518 93.128 -41.887 1.00 0.00 C ATOM 626 OE1 GLU A 39 98.432 93.340 -43.095 1.00 0.00 O ATOM 627 OE2 GLU A 39 98.251 92.041 -41.377 1.00 0.00 O ATOM 0 H GLU A 39 100.359 96.593 -40.210 1.00 0.00 H new ATOM 0 HA GLU A 39 100.124 95.757 -42.942 1.00 0.00 H new ATOM 0 HB2 GLU A 39 98.119 96.220 -40.674 1.00 0.00 H new ATOM 0 HB3 GLU A 39 97.691 95.480 -42.204 1.00 0.00 H new ATOM 0 HG2 GLU A 39 100.067 94.263 -40.902 1.00 0.00 H new ATOM 0 HG3 GLU A 39 98.591 94.113 -39.969 1.00 0.00 H new ATOM 719 N ASN A 46 108.371 98.603 -44.271 1.00 0.00 N ATOM 720 CA ASN A 46 108.468 97.588 -43.224 1.00 0.00 C ATOM 721 C ASN A 46 109.664 97.815 -42.279 1.00 0.00 C ATOM 722 O ASN A 46 109.523 97.808 -41.061 1.00 0.00 O ATOM 723 CB ASN A 46 108.547 96.192 -43.838 1.00 0.00 C ATOM 724 CG ASN A 46 109.721 96.067 -44.816 1.00 0.00 C ATOM 725 OD1 ASN A 46 110.800 95.598 -44.475 1.00 0.00 O ATOM 726 ND2 ASN A 46 109.429 96.519 -46.049 1.00 0.00 N ATOM 0 HA ASN A 46 107.563 97.674 -42.623 1.00 0.00 H new ATOM 0 HB2 ASN A 46 108.654 95.452 -43.045 1.00 0.00 H new ATOM 0 HB3 ASN A 46 107.615 95.970 -44.358 1.00 0.00 H new ATOM 0 HD21 ASN A 46 110.135 96.486 -46.785 1.00 0.00 H new ATOM 0 HD22 ASN A 46 108.502 96.895 -46.248 1.00 0.00 H new ATOM 733 N ALA A 47 110.838 98.014 -42.905 1.00 0.00 N ATOM 734 CA ALA A 47 112.028 98.201 -42.090 1.00 0.00 C ATOM 735 C ALA A 47 111.936 99.472 -41.224 1.00 0.00 C ATOM 736 O ALA A 47 112.231 99.449 -40.035 1.00 0.00 O ATOM 737 CB ALA A 47 113.259 98.275 -42.994 1.00 0.00 C ATOM 0 H ALA A 47 110.977 98.047 -43.915 1.00 0.00 H new ATOM 0 HA ALA A 47 112.111 97.349 -41.415 1.00 0.00 H new ATOM 0 HB1 ALA A 47 114.151 98.415 -42.383 1.00 0.00 H new ATOM 0 HB2 ALA A 47 113.350 97.349 -43.562 1.00 0.00 H new ATOM 0 HB3 ALA A 47 113.155 99.114 -43.682 1.00 0.00 H new ATOM 743 N VAL A 48 111.506 100.575 -41.873 1.00 0.00 N ATOM 744 CA VAL A 48 111.407 101.802 -41.091 1.00 0.00 C ATOM 745 C VAL A 48 110.358 101.680 -39.966 1.00 0.00 C ATOM 746 O VAL A 48 110.550 102.202 -38.878 1.00 0.00 O ATOM 747 CB VAL A 48 111.123 103.020 -41.980 1.00 0.00 C ATOM 748 CG1 VAL A 48 112.088 103.083 -43.162 1.00 0.00 C ATOM 749 CG2 VAL A 48 109.679 103.075 -42.475 1.00 0.00 C ATOM 0 H VAL A 48 111.243 100.636 -42.857 1.00 0.00 H new ATOM 0 HA VAL A 48 112.378 101.956 -40.620 1.00 0.00 H new ATOM 0 HB VAL A 48 111.280 103.894 -41.347 1.00 0.00 H new ATOM 0 HG11 VAL A 48 111.860 103.957 -43.772 1.00 0.00 H new ATOM 0 HG12 VAL A 48 113.111 103.155 -42.793 1.00 0.00 H new ATOM 0 HG13 VAL A 48 111.983 102.182 -43.766 1.00 0.00 H new ATOM 0 HG21 VAL A 48 109.541 103.959 -43.098 1.00 0.00 H new ATOM 0 HG22 VAL A 48 109.460 102.181 -43.059 1.00 0.00 H new ATOM 0 HG23 VAL A 48 109.003 103.124 -41.621 1.00 0.00 H new ATOM 759 N VAL A 49 109.258 100.972 -40.284 1.00 0.00 N ATOM 760 CA VAL A 49 108.124 100.904 -39.371 1.00 0.00 C ATOM 761 C VAL A 49 108.496 100.234 -38.032 1.00 0.00 C ATOM 762 O VAL A 49 108.084 100.678 -36.967 1.00 0.00 O ATOM 763 CB VAL A 49 106.973 100.165 -40.064 1.00 0.00 C ATOM 764 CG1 VAL A 49 105.813 99.894 -39.107 1.00 0.00 C ATOM 765 CG2 VAL A 49 106.487 100.958 -41.272 1.00 0.00 C ATOM 0 H VAL A 49 109.140 100.451 -41.153 1.00 0.00 H new ATOM 0 HA VAL A 49 107.811 101.919 -39.125 1.00 0.00 H new ATOM 0 HB VAL A 49 107.356 99.201 -40.398 1.00 0.00 H new ATOM 0 HG11 VAL A 49 105.019 99.369 -39.638 1.00 0.00 H new ATOM 0 HG12 VAL A 49 106.162 99.280 -38.277 1.00 0.00 H new ATOM 0 HG13 VAL A 49 105.430 100.839 -38.723 1.00 0.00 H new ATOM 0 HG21 VAL A 49 105.670 100.422 -41.754 1.00 0.00 H new ATOM 0 HG22 VAL A 49 106.136 101.938 -40.947 1.00 0.00 H new ATOM 0 HG23 VAL A 49 107.307 101.082 -41.979 1.00 0.00 H new ATOM 775 N ASN A 50 109.290 99.149 -38.147 1.00 0.00 N ATOM 776 CA ASN A 50 109.912 98.580 -36.959 1.00 0.00 C ATOM 777 C ASN A 50 110.708 99.638 -36.165 1.00 0.00 C ATOM 778 O ASN A 50 110.588 99.743 -34.950 1.00 0.00 O ATOM 779 CB ASN A 50 110.849 97.437 -37.377 1.00 0.00 C ATOM 780 CG ASN A 50 110.765 96.290 -36.366 1.00 0.00 C ATOM 781 OD1 ASN A 50 109.760 95.435 -36.626 1.00 0.00 O flip ATOM 782 ND2 ASN A 50 111.549 96.193 -35.430 1.00 0.00 N flip ATOM 0 H ASN A 50 109.504 98.671 -39.023 1.00 0.00 H new ATOM 0 HA ASN A 50 109.121 98.204 -36.310 1.00 0.00 H new ATOM 0 HB2 ASN A 50 110.577 97.078 -38.369 1.00 0.00 H new ATOM 0 HB3 ASN A 50 111.874 97.802 -37.440 1.00 0.00 H new ATOM 0 HD21 ASN A 50 112.285 96.889 -35.307 1.00 0.00 H new ATOM 0 HD22 ASN A 50 111.466 95.416 -34.774 1.00 0.00 H new ATOM 789 N SER A 51 111.519 100.406 -36.920 1.00 0.00 N ATOM 790 CA SER A 51 112.306 101.436 -36.257 1.00 0.00 C ATOM 791 C SER A 51 111.425 102.511 -35.585 1.00 0.00 C ATOM 792 O SER A 51 111.698 102.936 -34.472 1.00 0.00 O ATOM 793 CB SER A 51 113.255 102.088 -37.275 1.00 0.00 C ATOM 794 OG SER A 51 113.760 103.361 -36.894 1.00 0.00 O ATOM 0 H SER A 51 111.637 100.334 -37.931 1.00 0.00 H new ATOM 0 HA SER A 51 112.880 100.956 -35.464 1.00 0.00 H new ATOM 0 HB2 SER A 51 114.096 101.417 -37.447 1.00 0.00 H new ATOM 0 HB3 SER A 51 112.730 102.191 -38.225 1.00 0.00 H new ATOM 0 HG SER A 51 114.354 103.701 -37.596 1.00 0.00 H new ATOM 800 N ASN A 52 110.374 102.931 -36.319 1.00 0.00 N ATOM 801 CA ASN A 52 109.595 104.100 -35.941 1.00 0.00 C ATOM 802 C ASN A 52 108.776 103.901 -34.646 1.00 0.00 C ATOM 803 O ASN A 52 108.615 104.807 -33.839 1.00 0.00 O ATOM 804 CB ASN A 52 108.629 104.402 -37.081 1.00 0.00 C ATOM 805 CG ASN A 52 109.391 104.781 -38.358 1.00 0.00 C ATOM 806 OD1 ASN A 52 108.875 104.226 -39.468 1.00 0.00 O flip ATOM 807 ND2 ASN A 52 110.373 105.512 -38.332 1.00 0.00 N flip ATOM 0 H ASN A 52 110.056 102.471 -37.172 1.00 0.00 H new ATOM 0 HA ASN A 52 110.293 104.916 -35.753 1.00 0.00 H new ATOM 0 HB2 ASN A 52 108.002 103.531 -37.272 1.00 0.00 H new ATOM 0 HB3 ASN A 52 107.964 105.217 -36.794 1.00 0.00 H new ATOM 0 HD21 ASN A 52 110.701 105.893 -37.445 1.00 0.00 H new ATOM 0 HD22 ASN A 52 110.862 105.739 -39.197 1.00 0.00 H new ATOM 814 N ILE A 53 108.226 102.685 -34.518 1.00 0.00 N ATOM 815 CA ILE A 53 107.547 102.341 -33.285 1.00 0.00 C ATOM 816 C ILE A 53 108.533 102.256 -32.105 1.00 0.00 C ATOM 817 O ILE A 53 108.307 102.818 -31.041 1.00 0.00 O ATOM 818 CB ILE A 53 106.833 101.000 -33.462 1.00 0.00 C ATOM 819 CG1 ILE A 53 105.915 100.977 -34.688 1.00 0.00 C ATOM 820 CG2 ILE A 53 106.018 100.650 -32.222 1.00 0.00 C ATOM 821 CD1 ILE A 53 105.529 99.549 -35.054 1.00 0.00 C ATOM 0 H ILE A 53 108.241 101.955 -35.230 1.00 0.00 H new ATOM 0 HA ILE A 53 106.823 103.124 -33.059 1.00 0.00 H new ATOM 0 HB ILE A 53 107.617 100.257 -33.613 1.00 0.00 H new ATOM 0 HG12 ILE A 53 105.017 101.560 -34.485 1.00 0.00 H new ATOM 0 HG13 ILE A 53 106.417 101.449 -35.532 1.00 0.00 H new ATOM 0 HG21 ILE A 53 105.520 99.692 -32.372 1.00 0.00 H new ATOM 0 HG22 ILE A 53 106.680 100.583 -31.359 1.00 0.00 H new ATOM 0 HG23 ILE A 53 105.271 101.424 -32.047 1.00 0.00 H new ATOM 0 HD11 ILE A 53 104.877 99.561 -35.928 1.00 0.00 H new ATOM 0 HD12 ILE A 53 106.428 98.976 -35.280 1.00 0.00 H new ATOM 0 HD13 ILE A 53 105.005 99.088 -34.217 1.00 0.00 H new ATOM 833 N GLY A 54 109.628 101.515 -32.351 1.00 0.00 N ATOM 834 CA GLY A 54 110.643 101.390 -31.318 1.00 0.00 C ATOM 835 C GLY A 54 111.239 102.737 -30.875 1.00 0.00 C ATOM 836 O GLY A 54 111.462 102.975 -29.697 1.00 0.00 O ATOM 0 H GLY A 54 109.819 101.017 -33.220 1.00 0.00 H new ATOM 0 HA2 GLY A 54 110.208 100.892 -30.451 1.00 0.00 H new ATOM 0 HA3 GLY A 54 111.446 100.750 -31.684 1.00 0.00 H new ATOM 840 N VAL A 55 111.497 103.587 -31.879 1.00 0.00 N ATOM 841 CA VAL A 55 112.141 104.857 -31.577 1.00 0.00 C ATOM 842 C VAL A 55 111.225 105.808 -30.769 1.00 0.00 C ATOM 843 O VAL A 55 111.689 106.548 -29.910 1.00 0.00 O ATOM 844 CB VAL A 55 112.625 105.500 -32.877 1.00 0.00 C ATOM 845 CG1 VAL A 55 111.461 106.083 -33.653 1.00 0.00 C ATOM 846 CG2 VAL A 55 113.697 106.552 -32.611 1.00 0.00 C ATOM 0 H VAL A 55 111.279 103.424 -32.862 1.00 0.00 H new ATOM 0 HA VAL A 55 113.000 104.662 -30.935 1.00 0.00 H new ATOM 0 HB VAL A 55 113.080 104.721 -33.488 1.00 0.00 H new ATOM 0 HG11 VAL A 55 111.828 106.535 -34.574 1.00 0.00 H new ATOM 0 HG12 VAL A 55 110.752 105.291 -33.895 1.00 0.00 H new ATOM 0 HG13 VAL A 55 110.965 106.842 -33.049 1.00 0.00 H new ATOM 0 HG21 VAL A 55 114.020 106.990 -33.556 1.00 0.00 H new ATOM 0 HG22 VAL A 55 113.289 107.333 -31.970 1.00 0.00 H new ATOM 0 HG23 VAL A 55 114.550 106.086 -32.117 1.00 0.00 H new ATOM 856 N LEU A 56 109.911 105.754 -31.083 1.00 0.00 N ATOM 857 CA LEU A 56 108.930 106.291 -30.146 1.00 0.00 C ATOM 858 C LEU A 56 109.085 105.652 -28.746 1.00 0.00 C ATOM 859 O LEU A 56 109.131 106.340 -27.735 1.00 0.00 O ATOM 860 CB LEU A 56 107.542 105.943 -30.695 1.00 0.00 C ATOM 861 CG LEU A 56 107.007 106.925 -31.742 1.00 0.00 C ATOM 862 CD1 LEU A 56 108.103 107.636 -32.534 1.00 0.00 C ATOM 863 CD2 LEU A 56 106.093 106.184 -32.710 1.00 0.00 C ATOM 0 H LEU A 56 109.528 105.360 -31.942 1.00 0.00 H new ATOM 0 HA LEU A 56 109.072 107.367 -30.044 1.00 0.00 H new ATOM 0 HB2 LEU A 56 107.579 104.947 -31.136 1.00 0.00 H new ATOM 0 HB3 LEU A 56 106.838 105.898 -29.864 1.00 0.00 H new ATOM 0 HG LEU A 56 106.464 107.695 -31.195 1.00 0.00 H new ATOM 0 HD11 LEU A 56 107.648 108.315 -33.256 1.00 0.00 H new ATOM 0 HD12 LEU A 56 108.736 108.203 -31.851 1.00 0.00 H new ATOM 0 HD13 LEU A 56 108.708 106.898 -33.061 1.00 0.00 H new ATOM 0 HD21 LEU A 56 105.711 106.881 -33.456 1.00 0.00 H new ATOM 0 HD22 LEU A 56 106.654 105.393 -33.207 1.00 0.00 H new ATOM 0 HD23 LEU A 56 105.259 105.747 -32.161 1.00 0.00 H new ATOM 875 N ILE A 57 109.191 104.310 -28.743 1.00 0.00 N ATOM 876 CA ILE A 57 109.228 103.638 -27.451 1.00 0.00 C ATOM 877 C ILE A 57 110.452 104.066 -26.610 1.00 0.00 C ATOM 878 O ILE A 57 110.352 104.295 -25.411 1.00 0.00 O ATOM 879 CB ILE A 57 109.238 102.123 -27.657 1.00 0.00 C ATOM 880 CG1 ILE A 57 108.024 101.667 -28.483 1.00 0.00 C ATOM 881 CG2 ILE A 57 109.370 101.387 -26.319 1.00 0.00 C ATOM 882 CD1 ILE A 57 106.993 100.841 -27.716 1.00 0.00 C ATOM 0 H ILE A 57 109.249 103.711 -29.566 1.00 0.00 H new ATOM 0 HA ILE A 57 108.334 103.930 -26.899 1.00 0.00 H new ATOM 0 HB ILE A 57 110.119 101.857 -28.241 1.00 0.00 H new ATOM 0 HG12 ILE A 57 107.530 102.549 -28.891 1.00 0.00 H new ATOM 0 HG13 ILE A 57 108.380 101.080 -29.330 1.00 0.00 H new ATOM 0 HG21 ILE A 57 109.374 100.311 -26.494 1.00 0.00 H new ATOM 0 HG22 ILE A 57 110.301 101.679 -25.833 1.00 0.00 H new ATOM 0 HG23 ILE A 57 108.529 101.646 -25.677 1.00 0.00 H new ATOM 0 HD11 ILE A 57 106.176 100.568 -28.384 1.00 0.00 H new ATOM 0 HD12 ILE A 57 107.465 99.937 -27.331 1.00 0.00 H new ATOM 0 HD13 ILE A 57 106.601 101.428 -26.885 1.00 0.00 H new ATOM 894 N LYS A 58 111.601 104.159 -27.309 1.00 0.00 N ATOM 895 CA LYS A 58 112.857 104.419 -26.623 1.00 0.00 C ATOM 896 C LYS A 58 112.951 105.870 -26.082 1.00 0.00 C ATOM 897 O LYS A 58 113.697 106.149 -25.150 1.00 0.00 O ATOM 898 CB LYS A 58 114.013 104.082 -27.571 1.00 0.00 C ATOM 899 CG LYS A 58 114.331 105.212 -28.548 1.00 0.00 C ATOM 900 CD LYS A 58 115.511 106.063 -28.082 1.00 0.00 C ATOM 901 CE LYS A 58 116.294 106.645 -29.260 1.00 0.00 C ATOM 902 NZ LYS A 58 116.862 107.953 -28.959 1.00 0.00 N ATOM 0 H LYS A 58 111.674 104.059 -28.321 1.00 0.00 H new ATOM 0 HA LYS A 58 112.915 103.781 -25.741 1.00 0.00 H new ATOM 0 HB2 LYS A 58 114.903 103.855 -26.984 1.00 0.00 H new ATOM 0 HB3 LYS A 58 113.764 103.182 -28.133 1.00 0.00 H new ATOM 0 HG2 LYS A 58 114.554 104.791 -29.528 1.00 0.00 H new ATOM 0 HG3 LYS A 58 113.452 105.846 -28.666 1.00 0.00 H new ATOM 0 HD2 LYS A 58 115.147 106.874 -27.452 1.00 0.00 H new ATOM 0 HD3 LYS A 58 116.176 105.456 -27.468 1.00 0.00 H new ATOM 0 HE2 LYS A 58 117.095 105.959 -29.535 1.00 0.00 H new ATOM 0 HE3 LYS A 58 115.635 106.728 -30.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 117.382 108.305 -29.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 116.098 108.617 -28.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 117.512 107.872 -28.151 1.00 0.00 H new ATOM 916 N LYS A 59 112.162 106.762 -26.715 1.00 0.00 N ATOM 917 CA LYS A 59 111.922 108.076 -26.149 1.00 0.00 C ATOM 918 C LYS A 59 110.967 107.995 -24.940 1.00 0.00 C ATOM 919 O LYS A 59 111.233 108.547 -23.880 1.00 0.00 O ATOM 920 CB LYS A 59 111.289 108.940 -27.239 1.00 0.00 C ATOM 921 CG LYS A 59 112.227 109.176 -28.421 1.00 0.00 C ATOM 922 CD LYS A 59 111.466 109.686 -29.644 1.00 0.00 C ATOM 923 CE LYS A 59 112.387 110.399 -30.635 1.00 0.00 C ATOM 924 NZ LYS A 59 113.504 109.560 -31.053 1.00 0.00 N ATOM 0 H LYS A 59 111.693 106.587 -27.604 1.00 0.00 H new ATOM 0 HA LYS A 59 112.863 108.502 -25.802 1.00 0.00 H new ATOM 0 HB2 LYS A 59 110.377 108.460 -27.594 1.00 0.00 H new ATOM 0 HB3 LYS A 59 110.999 109.900 -26.813 1.00 0.00 H new ATOM 0 HG2 LYS A 59 112.994 109.898 -28.140 1.00 0.00 H new ATOM 0 HG3 LYS A 59 112.740 108.247 -28.671 1.00 0.00 H new ATOM 0 HD2 LYS A 59 110.977 108.849 -30.142 1.00 0.00 H new ATOM 0 HD3 LYS A 59 110.680 110.370 -29.323 1.00 0.00 H new ATOM 0 HE2 LYS A 59 111.812 110.698 -31.511 1.00 0.00 H new ATOM 0 HE3 LYS A 59 112.771 111.311 -30.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 114.400 110.043 -30.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 113.468 108.654 -30.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 113.442 109.384 -32.076 1.00 0.00 H new ATOM 938 N GLY A 60 109.848 107.277 -25.169 1.00 0.00 N ATOM 939 CA GLY A 60 108.550 107.882 -25.015 1.00 0.00 C ATOM 940 C GLY A 60 108.344 108.898 -26.135 1.00 0.00 C ATOM 941 O GLY A 60 108.825 110.022 -26.085 1.00 0.00 O ATOM 0 H GLY A 60 109.836 106.298 -25.455 1.00 0.00 H new ATOM 0 HA2 GLY A 60 107.772 107.119 -25.050 1.00 0.00 H new ATOM 0 HA3 GLY A 60 108.474 108.371 -24.044 1.00 0.00 H new ATOM 945 N LEU A 61 107.597 108.410 -27.140 1.00 0.00 N ATOM 946 CA LEU A 61 106.194 108.160 -26.942 1.00 0.00 C ATOM 947 C LEU A 61 105.757 107.181 -28.028 1.00 0.00 C ATOM 948 O LEU A 61 105.445 107.545 -29.154 1.00 0.00 O ATOM 949 CB LEU A 61 105.478 109.494 -27.164 1.00 0.00 C ATOM 950 CG LEU A 61 105.930 110.279 -28.415 1.00 0.00 C ATOM 951 CD1 LEU A 61 104.844 111.244 -28.855 1.00 0.00 C ATOM 952 CD2 LEU A 61 107.227 111.048 -28.187 1.00 0.00 C ATOM 0 H LEU A 61 107.949 108.191 -28.072 1.00 0.00 H new ATOM 0 HA LEU A 61 105.974 107.758 -25.953 1.00 0.00 H new ATOM 0 HB2 LEU A 61 104.407 109.306 -27.239 1.00 0.00 H new ATOM 0 HB3 LEU A 61 105.630 110.121 -26.286 1.00 0.00 H new ATOM 0 HG LEU A 61 106.114 109.542 -29.196 1.00 0.00 H new ATOM 0 HD11 LEU A 61 105.178 111.790 -29.738 1.00 0.00 H new ATOM 0 HD12 LEU A 61 103.938 110.688 -29.094 1.00 0.00 H new ATOM 0 HD13 LEU A 61 104.636 111.949 -28.050 1.00 0.00 H new ATOM 0 HD21 LEU A 61 107.499 111.582 -29.098 1.00 0.00 H new ATOM 0 HD22 LEU A 61 107.089 111.762 -27.376 1.00 0.00 H new ATOM 0 HD23 LEU A 61 108.022 110.350 -27.924 1.00 0.00 H new ATOM 964 N VAL A 62 105.721 105.910 -27.616 1.00 0.00 N ATOM 965 CA VAL A 62 104.540 105.126 -27.372 1.00 0.00 C ATOM 966 C VAL A 62 104.853 104.141 -26.235 1.00 0.00 C ATOM 967 O VAL A 62 105.993 103.723 -26.063 1.00 0.00 O ATOM 968 CB VAL A 62 104.148 104.419 -28.665 1.00 0.00 C ATOM 969 CG1 VAL A 62 105.198 103.400 -29.092 1.00 0.00 C ATOM 970 CG2 VAL A 62 102.776 103.774 -28.544 1.00 0.00 C ATOM 0 H VAL A 62 106.576 105.383 -27.438 1.00 0.00 H new ATOM 0 HA VAL A 62 103.695 105.742 -27.066 1.00 0.00 H new ATOM 0 HB VAL A 62 104.095 105.178 -29.446 1.00 0.00 H new ATOM 0 HG11 VAL A 62 104.882 102.918 -30.017 1.00 0.00 H new ATOM 0 HG12 VAL A 62 106.151 103.905 -29.253 1.00 0.00 H new ATOM 0 HG13 VAL A 62 105.313 102.648 -28.312 1.00 0.00 H new ATOM 0 HG21 VAL A 62 102.523 103.278 -29.481 1.00 0.00 H new ATOM 0 HG22 VAL A 62 102.788 103.041 -27.737 1.00 0.00 H new ATOM 0 HG23 VAL A 62 102.032 104.540 -28.327 1.00 0.00 H new ATOM 980 N GLU A 63 103.801 103.791 -25.473 1.00 0.00 N ATOM 981 CA GLU A 63 103.939 102.693 -24.518 1.00 0.00 C ATOM 982 C GLU A 63 103.199 101.445 -25.031 1.00 0.00 C ATOM 983 O GLU A 63 102.005 101.462 -25.301 1.00 0.00 O ATOM 984 CB GLU A 63 103.383 103.102 -23.155 1.00 0.00 C ATOM 985 CG GLU A 63 104.449 103.775 -22.288 1.00 0.00 C ATOM 986 CD GLU A 63 103.799 104.490 -21.101 1.00 0.00 C ATOM 987 OE1 GLU A 63 102.678 104.976 -21.247 1.00 0.00 O ATOM 988 OE2 GLU A 63 104.422 104.552 -20.042 1.00 0.00 O ATOM 0 H GLU A 63 102.884 104.236 -25.500 1.00 0.00 H new ATOM 0 HA GLU A 63 104.998 102.459 -24.411 1.00 0.00 H new ATOM 0 HB2 GLU A 63 102.544 103.783 -23.294 1.00 0.00 H new ATOM 0 HB3 GLU A 63 102.998 102.222 -22.640 1.00 0.00 H new ATOM 0 HG2 GLU A 63 105.158 103.029 -21.928 1.00 0.00 H new ATOM 0 HG3 GLU A 63 105.015 104.490 -22.886 1.00 0.00 H new ATOM 995 N LYS A 64 103.983 100.356 -25.128 1.00 0.00 N ATOM 996 CA LYS A 64 103.413 99.105 -25.576 1.00 0.00 C ATOM 997 C LYS A 64 102.700 98.420 -24.404 1.00 0.00 C ATOM 998 O LYS A 64 103.291 98.095 -23.380 1.00 0.00 O ATOM 999 CB LYS A 64 104.526 98.222 -26.134 1.00 0.00 C ATOM 1000 CG LYS A 64 104.046 96.799 -26.418 1.00 0.00 C ATOM 1001 CD LYS A 64 104.971 96.061 -27.384 1.00 0.00 C ATOM 1002 CE LYS A 64 105.812 95.002 -26.671 1.00 0.00 C ATOM 1003 NZ LYS A 64 106.986 94.613 -27.442 1.00 0.00 N ATOM 0 H LYS A 64 104.978 100.329 -24.907 1.00 0.00 H new ATOM 0 HA LYS A 64 102.681 99.283 -26.364 1.00 0.00 H new ATOM 0 HB2 LYS A 64 104.912 98.664 -27.053 1.00 0.00 H new ATOM 0 HB3 LYS A 64 105.353 98.190 -25.424 1.00 0.00 H new ATOM 0 HG2 LYS A 64 103.984 96.244 -25.482 1.00 0.00 H new ATOM 0 HG3 LYS A 64 103.040 96.833 -26.836 1.00 0.00 H new ATOM 0 HD2 LYS A 64 104.377 95.587 -28.165 1.00 0.00 H new ATOM 0 HD3 LYS A 64 105.630 96.778 -27.875 1.00 0.00 H new ATOM 0 HE2 LYS A 64 106.128 95.386 -25.701 1.00 0.00 H new ATOM 0 HE3 LYS A 64 105.198 94.122 -26.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 107.523 93.894 -26.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 106.686 94.221 -28.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 107.588 95.446 -27.602 1.00 0.00 H new ATOM 1017 N SER A 65 101.388 98.229 -24.639 1.00 0.00 N ATOM 1018 CA SER A 65 100.536 97.597 -23.644 1.00 0.00 C ATOM 1019 C SER A 65 100.014 96.268 -24.199 1.00 0.00 C ATOM 1020 O SER A 65 99.143 96.239 -25.057 1.00 0.00 O ATOM 1021 CB SER A 65 99.326 98.513 -23.387 1.00 0.00 C ATOM 1022 OG SER A 65 98.304 97.966 -22.562 1.00 0.00 O ATOM 0 H SER A 65 100.911 98.502 -25.498 1.00 0.00 H new ATOM 0 HA SER A 65 101.100 97.428 -22.727 1.00 0.00 H new ATOM 0 HB2 SER A 65 99.683 99.436 -22.929 1.00 0.00 H new ATOM 0 HB3 SER A 65 98.887 98.783 -24.348 1.00 0.00 H new ATOM 0 HG SER A 65 97.544 97.697 -23.118 1.00 0.00 H new ATOM 1028 N GLY A 66 100.585 95.177 -23.651 1.00 0.00 N ATOM 1029 CA GLY A 66 100.976 94.090 -24.533 1.00 0.00 C ATOM 1030 C GLY A 66 99.844 93.072 -24.668 1.00 0.00 C ATOM 1031 O GLY A 66 99.664 92.194 -23.835 1.00 0.00 O ATOM 0 H GLY A 66 100.773 95.038 -22.658 1.00 0.00 H new ATOM 0 HA2 GLY A 66 101.235 94.486 -25.515 1.00 0.00 H new ATOM 0 HA3 GLY A 66 101.868 93.600 -24.142 1.00 0.00 H new ATOM 1035 N ASP A 67 99.098 93.252 -25.774 1.00 0.00 N ATOM 1036 CA ASP A 67 99.664 93.033 -27.100 1.00 0.00 C ATOM 1037 C ASP A 67 100.124 94.349 -27.764 1.00 0.00 C ATOM 1038 O ASP A 67 101.179 94.409 -28.383 1.00 0.00 O ATOM 1039 CB ASP A 67 98.627 92.341 -27.985 1.00 0.00 C ATOM 1040 CG ASP A 67 98.340 90.937 -27.449 1.00 0.00 C ATOM 1041 OD1 ASP A 67 99.235 90.094 -27.503 1.00 0.00 O ATOM 1042 OD2 ASP A 67 97.226 90.702 -26.986 1.00 0.00 O ATOM 0 H ASP A 67 98.120 93.543 -25.768 1.00 0.00 H new ATOM 0 HA ASP A 67 100.546 92.402 -26.986 1.00 0.00 H new ATOM 0 HB2 ASP A 67 97.708 92.926 -28.008 1.00 0.00 H new ATOM 0 HB3 ASP A 67 98.993 92.281 -29.010 1.00 0.00 H new ATOM 1047 N GLY A 68 99.279 95.389 -27.602 1.00 0.00 N ATOM 1048 CA GLY A 68 99.131 96.411 -28.616 1.00 0.00 C ATOM 1049 C GLY A 68 99.586 97.755 -28.057 1.00 0.00 C ATOM 1050 O GLY A 68 99.605 97.986 -26.855 1.00 0.00 O ATOM 0 H GLY A 68 98.698 95.528 -26.775 1.00 0.00 H new ATOM 0 HA2 GLY A 68 99.721 96.153 -29.496 1.00 0.00 H new ATOM 0 HA3 GLY A 68 98.091 96.472 -28.936 1.00 0.00 H new ATOM 1054 N LEU A 69 99.951 98.622 -29.018 1.00 0.00 N ATOM 1055 CA LEU A 69 100.772 99.765 -28.682 1.00 0.00 C ATOM 1056 C LEU A 69 99.829 100.931 -28.394 1.00 0.00 C ATOM 1057 O LEU A 69 98.810 101.092 -29.052 1.00 0.00 O ATOM 1058 CB LEU A 69 101.726 100.052 -29.851 1.00 0.00 C ATOM 1059 CG LEU A 69 102.558 98.827 -30.257 1.00 0.00 C ATOM 1060 CD1 LEU A 69 103.860 99.259 -30.921 1.00 0.00 C ATOM 1061 CD2 LEU A 69 102.868 97.885 -29.090 1.00 0.00 C ATOM 0 H LEU A 69 99.692 98.546 -30.002 1.00 0.00 H new ATOM 0 HA LEU A 69 101.389 99.589 -27.801 1.00 0.00 H new ATOM 0 HB2 LEU A 69 101.148 100.393 -30.710 1.00 0.00 H new ATOM 0 HB3 LEU A 69 102.397 100.865 -29.575 1.00 0.00 H new ATOM 0 HG LEU A 69 101.943 98.270 -30.963 1.00 0.00 H new ATOM 0 HD11 LEU A 69 104.436 98.377 -31.201 1.00 0.00 H new ATOM 0 HD12 LEU A 69 103.637 99.845 -31.812 1.00 0.00 H new ATOM 0 HD13 LEU A 69 104.440 99.864 -30.225 1.00 0.00 H new ATOM 0 HD21 LEU A 69 103.458 97.042 -29.450 1.00 0.00 H new ATOM 0 HD22 LEU A 69 103.431 98.423 -28.328 1.00 0.00 H new ATOM 0 HD23 LEU A 69 101.936 97.518 -28.661 1.00 0.00 H new ATOM 1073 N ILE A 70 100.201 101.716 -27.363 1.00 0.00 N ATOM 1074 CA ILE A 70 99.370 102.874 -27.086 1.00 0.00 C ATOM 1075 C ILE A 70 100.187 103.955 -26.391 1.00 0.00 C ATOM 1076 O ILE A 70 101.116 103.688 -25.641 1.00 0.00 O ATOM 1077 CB ILE A 70 98.215 102.484 -26.173 1.00 0.00 C ATOM 1078 CG1 ILE A 70 98.700 101.850 -24.874 1.00 0.00 C ATOM 1079 CG2 ILE A 70 97.258 101.533 -26.872 1.00 0.00 C ATOM 1080 CD1 ILE A 70 97.643 102.000 -23.781 1.00 0.00 C ATOM 0 H ILE A 70 101.010 101.577 -26.757 1.00 0.00 H new ATOM 0 HA ILE A 70 98.986 103.251 -28.034 1.00 0.00 H new ATOM 0 HB ILE A 70 97.690 103.408 -25.929 1.00 0.00 H new ATOM 0 HG12 ILE A 70 98.917 100.794 -25.036 1.00 0.00 H new ATOM 0 HG13 ILE A 70 99.630 102.322 -24.557 1.00 0.00 H new ATOM 0 HG21 ILE A 70 96.444 101.273 -26.195 1.00 0.00 H new ATOM 0 HG22 ILE A 70 96.851 102.015 -27.761 1.00 0.00 H new ATOM 0 HG23 ILE A 70 97.792 100.628 -27.162 1.00 0.00 H new ATOM 0 HD11 ILE A 70 98.004 101.542 -22.860 1.00 0.00 H new ATOM 0 HD12 ILE A 70 97.447 103.058 -23.608 1.00 0.00 H new ATOM 0 HD13 ILE A 70 96.723 101.507 -24.094 1.00 0.00 H new ATOM 1092 N ILE A 71 99.768 105.199 -26.668 1.00 0.00 N ATOM 1093 CA ILE A 71 100.751 106.266 -26.641 1.00 0.00 C ATOM 1094 C ILE A 71 100.734 106.977 -25.288 1.00 0.00 C ATOM 1095 O ILE A 71 99.711 107.072 -24.621 1.00 0.00 O ATOM 1096 CB ILE A 71 100.458 107.250 -27.765 1.00 0.00 C ATOM 1097 CG1 ILE A 71 99.043 107.822 -27.618 1.00 0.00 C ATOM 1098 CG2 ILE A 71 100.710 106.584 -29.119 1.00 0.00 C ATOM 1099 CD1 ILE A 71 98.705 108.918 -28.627 1.00 0.00 C ATOM 0 H ILE A 71 98.813 105.471 -26.899 1.00 0.00 H new ATOM 0 HA ILE A 71 101.745 105.842 -26.786 1.00 0.00 H new ATOM 0 HB ILE A 71 101.137 108.101 -27.704 1.00 0.00 H new ATOM 0 HG12 ILE A 71 98.322 107.011 -27.724 1.00 0.00 H new ATOM 0 HG13 ILE A 71 98.927 108.222 -26.611 1.00 0.00 H new ATOM 0 HG21 ILE A 71 100.498 107.294 -29.919 1.00 0.00 H new ATOM 0 HG22 ILE A 71 101.751 106.268 -29.181 1.00 0.00 H new ATOM 0 HG23 ILE A 71 100.060 105.715 -29.224 1.00 0.00 H new ATOM 0 HD11 ILE A 71 97.687 109.269 -28.456 1.00 0.00 H new ATOM 0 HD12 ILE A 71 99.400 109.749 -28.508 1.00 0.00 H new ATOM 0 HD13 ILE A 71 98.786 108.519 -29.638 1.00 0.00 H new ATOM 1111 N THR A 72 101.937 107.469 -24.932 1.00 0.00 N ATOM 1112 CA THR A 72 102.070 108.138 -23.653 1.00 0.00 C ATOM 1113 C THR A 72 101.534 109.563 -23.790 1.00 0.00 C ATOM 1114 O THR A 72 101.425 110.109 -24.882 1.00 0.00 O ATOM 1115 CB THR A 72 103.535 108.144 -23.173 1.00 0.00 C ATOM 1116 OG1 THR A 72 104.204 109.279 -23.725 1.00 0.00 O ATOM 1117 CG2 THR A 72 104.241 106.795 -23.449 1.00 0.00 C ATOM 0 H THR A 72 102.787 107.414 -25.493 1.00 0.00 H new ATOM 0 HA THR A 72 101.493 107.599 -22.902 1.00 0.00 H new ATOM 0 HB THR A 72 103.567 108.244 -22.088 1.00 0.00 H new ATOM 0 HG1 THR A 72 105.135 109.046 -23.921 1.00 0.00 H new ATOM 0 HG21 THR A 72 105.271 106.844 -23.095 1.00 0.00 H new ATOM 0 HG22 THR A 72 103.715 105.996 -22.927 1.00 0.00 H new ATOM 0 HG23 THR A 72 104.235 106.594 -24.520 1.00 0.00 H new ATOM 1125 N GLY A 73 101.235 110.139 -22.612 1.00 0.00 N ATOM 1126 CA GLY A 73 100.610 111.457 -22.626 1.00 0.00 C ATOM 1127 C GLY A 73 101.386 112.499 -23.469 1.00 0.00 C ATOM 1128 O GLY A 73 100.806 113.459 -23.963 1.00 0.00 O ATOM 0 H GLY A 73 101.407 109.735 -21.691 1.00 0.00 H new ATOM 0 HA2 GLY A 73 99.597 111.366 -23.018 1.00 0.00 H new ATOM 0 HA3 GLY A 73 100.524 111.821 -21.602 1.00 0.00 H new ATOM 1132 N GLU A 74 102.712 112.268 -23.610 1.00 0.00 N ATOM 1133 CA GLU A 74 103.485 113.137 -24.483 1.00 0.00 C ATOM 1134 C GLU A 74 102.913 113.165 -25.913 1.00 0.00 C ATOM 1135 O GLU A 74 102.712 114.226 -26.490 1.00 0.00 O ATOM 1136 CB GLU A 74 104.929 112.639 -24.546 1.00 0.00 C ATOM 1137 CG GLU A 74 105.599 112.642 -23.171 1.00 0.00 C ATOM 1138 CD GLU A 74 105.790 111.218 -22.641 1.00 0.00 C ATOM 1139 OE1 GLU A 74 106.723 110.548 -23.083 1.00 0.00 O ATOM 1140 OE2 GLU A 74 105.006 110.797 -21.793 1.00 0.00 O ATOM 0 H GLU A 74 103.235 111.523 -23.150 1.00 0.00 H new ATOM 0 HA GLU A 74 103.439 114.145 -24.072 1.00 0.00 H new ATOM 0 HB2 GLU A 74 104.946 111.629 -24.955 1.00 0.00 H new ATOM 0 HB3 GLU A 74 105.500 113.269 -25.228 1.00 0.00 H new ATOM 0 HG2 GLU A 74 106.566 113.140 -23.237 1.00 0.00 H new ATOM 0 HG3 GLU A 74 104.992 113.215 -22.470 1.00 0.00 H new ATOM 1147 N ALA A 75 102.645 111.950 -26.439 1.00 0.00 N ATOM 1148 CA ALA A 75 101.962 111.878 -27.725 1.00 0.00 C ATOM 1149 C ALA A 75 100.612 112.605 -27.692 1.00 0.00 C ATOM 1150 O ALA A 75 100.316 113.406 -28.566 1.00 0.00 O ATOM 1151 CB ALA A 75 101.729 110.415 -28.104 1.00 0.00 C ATOM 0 H ALA A 75 102.881 111.055 -26.011 1.00 0.00 H new ATOM 0 HA ALA A 75 102.598 112.366 -28.464 1.00 0.00 H new ATOM 0 HB1 ALA A 75 101.218 110.365 -29.066 1.00 0.00 H new ATOM 0 HB2 ALA A 75 102.687 109.900 -28.175 1.00 0.00 H new ATOM 0 HB3 ALA A 75 101.115 109.935 -27.342 1.00 0.00 H new ATOM 1157 N GLN A 76 99.826 112.323 -26.636 1.00 0.00 N ATOM 1158 CA GLN A 76 98.469 112.861 -26.626 1.00 0.00 C ATOM 1159 C GLN A 76 98.434 114.398 -26.829 1.00 0.00 C ATOM 1160 O GLN A 76 97.533 114.924 -27.469 1.00 0.00 O ATOM 1161 CB GLN A 76 97.807 112.506 -25.288 1.00 0.00 C ATOM 1162 CG GLN A 76 96.938 111.255 -25.380 1.00 0.00 C ATOM 1163 CD GLN A 76 97.780 109.997 -25.179 1.00 0.00 C ATOM 1164 OE1 GLN A 76 99.003 110.031 -25.188 1.00 0.00 O ATOM 1165 NE2 GLN A 76 97.039 108.889 -25.001 1.00 0.00 N ATOM 0 H GLN A 76 100.092 111.760 -25.828 1.00 0.00 H new ATOM 0 HA GLN A 76 97.928 112.416 -27.461 1.00 0.00 H new ATOM 0 HB2 GLN A 76 98.579 112.354 -24.534 1.00 0.00 H new ATOM 0 HB3 GLN A 76 97.196 113.345 -24.954 1.00 0.00 H new ATOM 0 HG2 GLN A 76 96.151 111.296 -24.627 1.00 0.00 H new ATOM 0 HG3 GLN A 76 96.447 111.218 -26.352 1.00 0.00 H new ATOM 0 HE21 GLN A 76 96.021 108.950 -25.008 1.00 0.00 H new ATOM 0 HE22 GLN A 76 97.495 107.988 -24.859 1.00 0.00 H new ATOM 1174 N ASP A 77 99.448 115.078 -26.262 1.00 0.00 N ATOM 1175 CA ASP A 77 99.544 116.506 -26.501 1.00 0.00 C ATOM 1176 C ASP A 77 99.870 116.806 -27.977 1.00 0.00 C ATOM 1177 O ASP A 77 99.269 117.674 -28.596 1.00 0.00 O ATOM 1178 CB ASP A 77 100.632 117.093 -25.604 1.00 0.00 C ATOM 1179 CG ASP A 77 100.386 118.587 -25.390 1.00 0.00 C ATOM 1180 OD1 ASP A 77 100.190 119.296 -26.375 1.00 0.00 O ATOM 1181 OD2 ASP A 77 100.393 119.025 -24.241 1.00 0.00 O ATOM 0 H ASP A 77 100.172 114.676 -25.667 1.00 0.00 H new ATOM 0 HA ASP A 77 98.581 116.961 -26.270 1.00 0.00 H new ATOM 0 HB2 ASP A 77 100.641 116.577 -24.644 1.00 0.00 H new ATOM 0 HB3 ASP A 77 101.611 116.939 -26.058 1.00 0.00 H new ATOM 1186 N ILE A 78 100.850 116.038 -28.499 1.00 0.00 N ATOM 1187 CA ILE A 78 101.288 116.283 -29.860 1.00 0.00 C ATOM 1188 C ILE A 78 100.157 116.036 -30.879 1.00 0.00 C ATOM 1189 O ILE A 78 99.922 116.843 -31.770 1.00 0.00 O ATOM 1190 CB ILE A 78 102.480 115.359 -30.139 1.00 0.00 C ATOM 1191 CG1 ILE A 78 103.685 115.656 -29.236 1.00 0.00 C ATOM 1192 CG2 ILE A 78 102.893 115.378 -31.613 1.00 0.00 C ATOM 1193 CD1 ILE A 78 103.748 117.093 -28.708 1.00 0.00 C ATOM 0 H ILE A 78 101.326 115.279 -28.012 1.00 0.00 H new ATOM 0 HA ILE A 78 101.578 117.328 -29.967 1.00 0.00 H new ATOM 0 HB ILE A 78 102.134 114.353 -29.899 1.00 0.00 H new ATOM 0 HG12 ILE A 78 103.664 114.972 -28.388 1.00 0.00 H new ATOM 0 HG13 ILE A 78 104.599 115.447 -29.792 1.00 0.00 H new ATOM 0 HG21 ILE A 78 103.740 114.709 -31.762 1.00 0.00 H new ATOM 0 HG22 ILE A 78 102.057 115.048 -32.229 1.00 0.00 H new ATOM 0 HG23 ILE A 78 103.176 116.391 -31.899 1.00 0.00 H new ATOM 0 HD11 ILE A 78 104.631 117.211 -28.080 1.00 0.00 H new ATOM 0 HD12 ILE A 78 103.804 117.787 -29.547 1.00 0.00 H new ATOM 0 HD13 ILE A 78 102.854 117.304 -28.121 1.00 0.00 H new ATOM 1205 N ILE A 79 99.488 114.882 -30.698 1.00 0.00 N ATOM 1206 CA ILE A 79 98.474 114.460 -31.646 1.00 0.00 C ATOM 1207 C ILE A 79 97.257 115.396 -31.650 1.00 0.00 C ATOM 1208 O ILE A 79 96.737 115.752 -32.698 1.00 0.00 O ATOM 1209 CB ILE A 79 97.969 113.069 -31.266 1.00 0.00 C ATOM 1210 CG1 ILE A 79 99.080 112.050 -31.001 1.00 0.00 C ATOM 1211 CG2 ILE A 79 96.979 112.554 -32.310 1.00 0.00 C ATOM 1212 CD1 ILE A 79 100.388 112.330 -31.744 1.00 0.00 C ATOM 0 H ILE A 79 99.636 114.245 -29.915 1.00 0.00 H new ATOM 0 HA ILE A 79 98.939 114.471 -32.632 1.00 0.00 H new ATOM 0 HB ILE A 79 97.455 113.185 -30.312 1.00 0.00 H new ATOM 0 HG12 ILE A 79 99.283 112.023 -29.930 1.00 0.00 H new ATOM 0 HG13 ILE A 79 98.722 111.060 -31.282 1.00 0.00 H new ATOM 0 HG21 ILE A 79 96.630 111.562 -32.023 1.00 0.00 H new ATOM 0 HG22 ILE A 79 96.129 113.234 -32.372 1.00 0.00 H new ATOM 0 HG23 ILE A 79 97.471 112.498 -33.281 1.00 0.00 H new ATOM 0 HD11 ILE A 79 101.118 111.559 -31.498 1.00 0.00 H new ATOM 0 HD12 ILE A 79 100.204 112.326 -32.818 1.00 0.00 H new ATOM 0 HD13 ILE A 79 100.774 113.305 -31.446 1.00 0.00 H new ATOM 1224 N SER A 80 96.822 115.763 -30.429 1.00 0.00 N ATOM 1225 CA SER A 80 95.663 116.640 -30.361 1.00 0.00 C ATOM 1226 C SER A 80 95.908 117.964 -31.108 1.00 0.00 C ATOM 1227 O SER A 80 95.077 118.410 -31.890 1.00 0.00 O ATOM 1228 CB SER A 80 95.349 116.931 -28.887 1.00 0.00 C ATOM 1229 OG SER A 80 95.292 115.797 -28.031 1.00 0.00 O ATOM 0 H SER A 80 97.230 115.483 -29.537 1.00 0.00 H new ATOM 0 HA SER A 80 94.822 116.140 -30.841 1.00 0.00 H new ATOM 0 HB2 SER A 80 96.105 117.615 -28.502 1.00 0.00 H new ATOM 0 HB3 SER A 80 94.392 117.451 -28.835 1.00 0.00 H new ATOM 0 HG SER A 80 96.129 115.726 -27.526 1.00 0.00 H new ATOM 1235 N ASN A 81 97.084 118.557 -30.832 1.00 0.00 N ATOM 1236 CA ASN A 81 97.375 119.812 -31.512 1.00 0.00 C ATOM 1237 C ASN A 81 97.637 119.597 -33.016 1.00 0.00 C ATOM 1238 O ASN A 81 97.123 120.324 -33.858 1.00 0.00 O ATOM 1239 CB ASN A 81 98.594 120.481 -30.865 1.00 0.00 C ATOM 1240 CG ASN A 81 98.398 122.001 -30.842 1.00 0.00 C ATOM 1241 OD1 ASN A 81 97.283 122.507 -30.817 1.00 0.00 O ATOM 1242 ND2 ASN A 81 99.554 122.686 -30.853 1.00 0.00 N ATOM 0 H ASN A 81 97.797 118.212 -30.189 1.00 0.00 H new ATOM 0 HA ASN A 81 96.502 120.457 -31.413 1.00 0.00 H new ATOM 0 HB2 ASN A 81 98.730 120.107 -29.850 1.00 0.00 H new ATOM 0 HB3 ASN A 81 99.497 120.229 -31.421 1.00 0.00 H new ATOM 0 HD21 ASN A 81 99.543 123.706 -30.840 1.00 0.00 H new ATOM 0 HD22 ASN A 81 100.443 122.186 -30.874 1.00 0.00 H new ATOM 1249 N ALA A 82 98.456 118.565 -33.307 1.00 0.00 N ATOM 1250 CA ALA A 82 98.880 118.371 -34.686 1.00 0.00 C ATOM 1251 C ALA A 82 97.709 117.990 -35.601 1.00 0.00 C ATOM 1252 O ALA A 82 97.525 118.551 -36.672 1.00 0.00 O ATOM 1253 CB ALA A 82 99.939 117.283 -34.764 1.00 0.00 C ATOM 0 H ALA A 82 98.816 117.889 -32.634 1.00 0.00 H new ATOM 0 HA ALA A 82 99.289 119.321 -35.029 1.00 0.00 H new ATOM 0 HB1 ALA A 82 100.247 117.149 -35.801 1.00 0.00 H new ATOM 0 HB2 ALA A 82 100.802 117.571 -34.164 1.00 0.00 H new ATOM 0 HB3 ALA A 82 99.529 116.348 -34.383 1.00 0.00 H new