USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 744 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 10 SER OG : rot 170:sc= 0.0424 USER MOD Set 1.2: A 12 GLN : amide:sc= -0.505 X(o=-0.46,f=-0.91) USER MOD Single : A 9 THR OG1 : rot -142:sc= 0.505 USER MOD Single : A 14 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0145) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -161:sc= 0.407 (180deg=0.221) USER MOD Single : A 23 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 30 THR OG1 : rot -8:sc= 0.241 USER MOD Single : A 31 THR OG1 : rot -46:sc= 0.527 USER MOD Single : A 36 LYS NZ :NH3+ 153:sc= 0.797 (180deg=0.0677) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0.001) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= -0.429 X(o=-0.43,f=-0.09) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -141:sc= 1.26 (180deg=0.432) USER MOD Single : A 48 GLN : amide:sc= 0.00225 X(o=0.0022,f=-0.13) USER MOD Single : A 49 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0193) USER MOD Single : A 56 SER OG : rot 180:sc= 0.0101 USER MOD Single : A 58 LYS NZ :NH3+ -171:sc=-0.00314 (180deg=-0.0892) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 62 LYS NZ :NH3+ -172:sc= 0.849 (180deg=0.813) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -0.252 X(o=-0.25,f=0) USER MOD Single : A 68 ASN : amide:sc= -0.0371 X(o=-0.037,f=0) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 72 TYR OH : rot 150:sc= -0.105 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 92:sc= 0.0739 USER MOD Single : A 77 ASN : amide:sc= -0.2 K(o=-0.2,f=-2.9!) USER MOD Single : A 82 GLN : amide:sc= -0.0352 X(o=-0.035,f=-0.22) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 27 N ARG A 3 1.969 9.662 -6.567 1.00 25.14 N ATOM 28 CA ARG A 3 0.668 9.066 -6.170 1.00 41.53 C ATOM 29 C ARG A 3 0.840 8.081 -5.005 1.00 55.13 C ATOM 30 O ARG A 3 1.961 7.702 -4.663 1.00 2.14 O ATOM 31 CB ARG A 3 -0.030 8.378 -7.372 1.00 73.31 C ATOM 32 CG ARG A 3 -0.437 9.354 -8.495 1.00 52.32 C ATOM 33 CD ARG A 3 -1.265 8.682 -9.602 1.00 23.45 C ATOM 34 NE ARG A 3 -0.496 7.681 -10.370 1.00 4.04 N ATOM 35 CZ ARG A 3 -0.981 6.514 -10.829 1.00 14.44 C ATOM 36 NH1 ARG A 3 -2.241 6.157 -10.604 1.00 2.31 N ATOM 37 NH2 ARG A 3 -0.216 5.734 -11.562 1.00 54.13 N ATOM 0 HA ARG A 3 0.027 9.881 -5.832 1.00 41.53 H new ATOM 0 HB2 ARG A 3 0.638 7.622 -7.784 1.00 73.31 H new ATOM 0 HB3 ARG A 3 -0.919 7.858 -7.015 1.00 73.31 H new ATOM 0 HG2 ARG A 3 -1.012 10.174 -8.066 1.00 52.32 H new ATOM 0 HG3 ARG A 3 0.461 9.790 -8.934 1.00 52.32 H new ATOM 0 HD2 ARG A 3 -2.135 8.200 -9.156 1.00 23.45 H new ATOM 0 HD3 ARG A 3 -1.639 9.446 -10.283 1.00 23.45 H new ATOM 0 HE ARG A 3 0.482 7.892 -10.568 1.00 4.04 H new ATOM 0 HH11 ARG A 3 -2.859 6.772 -10.075 1.00 2.31 H new ATOM 0 HH12 ARG A 3 -2.590 5.268 -10.961 1.00 2.31 H new ATOM 0 HH21 ARG A 3 0.740 6.016 -11.779 1.00 54.13 H new ATOM 0 HH22 ARG A 3 -0.579 4.848 -11.913 1.00 54.13 H new ATOM 51 N LEU A 4 -0.291 7.730 -4.368 1.00 24.25 N ATOM 52 CA LEU A 4 -0.333 6.824 -3.209 1.00 3.23 C ATOM 53 C LEU A 4 -0.783 5.411 -3.635 1.00 23.42 C ATOM 54 O LEU A 4 -1.751 5.266 -4.391 1.00 3.01 O ATOM 55 CB LEU A 4 -1.310 7.388 -2.148 1.00 45.24 C ATOM 56 CG LEU A 4 -1.403 6.605 -0.799 1.00 12.33 C ATOM 57 CD1 LEU A 4 -0.031 6.537 -0.107 1.00 30.52 C ATOM 58 CD2 LEU A 4 -2.461 7.220 0.135 1.00 10.01 C ATOM 0 H LEU A 4 -1.211 8.072 -4.647 1.00 24.25 H new ATOM 0 HA LEU A 4 0.669 6.752 -2.785 1.00 3.23 H new ATOM 0 HB2 LEU A 4 -1.018 8.415 -1.927 1.00 45.24 H new ATOM 0 HB3 LEU A 4 -2.306 7.428 -2.589 1.00 45.24 H new ATOM 0 HG LEU A 4 -1.717 5.587 -1.029 1.00 12.33 H new ATOM 0 HD11 LEU A 4 -0.123 5.987 0.830 1.00 30.52 H new ATOM 0 HD12 LEU A 4 0.680 6.029 -0.758 1.00 30.52 H new ATOM 0 HD13 LEU A 4 0.323 7.547 0.099 1.00 30.52 H new ATOM 0 HD21 LEU A 4 -2.500 6.652 1.064 1.00 10.01 H new ATOM 0 HD22 LEU A 4 -2.196 8.255 0.353 1.00 10.01 H new ATOM 0 HD23 LEU A 4 -3.437 7.190 -0.350 1.00 10.01 H new ATOM 70 N VAL A 5 -0.061 4.384 -3.146 1.00 53.14 N ATOM 71 CA VAL A 5 -0.478 2.968 -3.229 1.00 34.14 C ATOM 72 C VAL A 5 -0.770 2.461 -1.813 1.00 5.52 C ATOM 73 O VAL A 5 -0.003 2.724 -0.895 1.00 14.01 O ATOM 74 CB VAL A 5 0.611 2.048 -3.904 1.00 24.42 C ATOM 75 CG1 VAL A 5 0.247 0.544 -3.793 1.00 32.42 C ATOM 76 CG2 VAL A 5 0.821 2.436 -5.380 1.00 35.52 C ATOM 0 H VAL A 5 0.836 4.514 -2.678 1.00 53.14 H new ATOM 0 HA VAL A 5 -1.367 2.918 -3.857 1.00 34.14 H new ATOM 0 HB VAL A 5 1.543 2.207 -3.362 1.00 24.42 H new ATOM 0 HG11 VAL A 5 1.023 -0.054 -4.270 1.00 32.42 H new ATOM 0 HG12 VAL A 5 0.169 0.265 -2.742 1.00 32.42 H new ATOM 0 HG13 VAL A 5 -0.707 0.363 -4.288 1.00 32.42 H new ATOM 0 HG21 VAL A 5 1.577 1.787 -5.823 1.00 35.52 H new ATOM 0 HG22 VAL A 5 -0.117 2.323 -5.923 1.00 35.52 H new ATOM 0 HG23 VAL A 5 1.153 3.473 -5.440 1.00 35.52 H new ATOM 86 N VAL A 6 -1.885 1.739 -1.649 1.00 74.33 N ATOM 87 CA VAL A 6 -2.288 1.149 -0.373 1.00 65.22 C ATOM 88 C VAL A 6 -2.181 -0.380 -0.490 1.00 53.41 C ATOM 89 O VAL A 6 -3.002 -1.013 -1.152 1.00 32.40 O ATOM 90 CB VAL A 6 -3.750 1.576 0.013 1.00 73.32 C ATOM 91 CG1 VAL A 6 -4.155 1.029 1.403 1.00 53.54 C ATOM 92 CG2 VAL A 6 -3.911 3.117 -0.056 1.00 54.52 C ATOM 0 H VAL A 6 -2.538 1.548 -2.409 1.00 74.33 H new ATOM 0 HA VAL A 6 -1.630 1.508 0.418 1.00 65.22 H new ATOM 0 HB VAL A 6 -4.428 1.134 -0.717 1.00 73.32 H new ATOM 0 HG11 VAL A 6 -5.172 1.344 1.636 1.00 53.54 H new ATOM 0 HG12 VAL A 6 -4.106 -0.060 1.394 1.00 53.54 H new ATOM 0 HG13 VAL A 6 -3.473 1.417 2.159 1.00 53.54 H new ATOM 0 HG21 VAL A 6 -4.931 3.389 0.215 1.00 54.52 H new ATOM 0 HG22 VAL A 6 -3.214 3.587 0.637 1.00 54.52 H new ATOM 0 HG23 VAL A 6 -3.702 3.460 -1.069 1.00 54.52 H new ATOM 102 N VAL A 7 -1.136 -0.955 0.118 1.00 62.32 N ATOM 103 CA VAL A 7 -0.930 -2.406 0.149 1.00 14.25 C ATOM 104 C VAL A 7 -1.773 -3.007 1.282 1.00 42.23 C ATOM 105 O VAL A 7 -1.538 -2.738 2.462 1.00 23.13 O ATOM 106 CB VAL A 7 0.584 -2.776 0.340 1.00 41.24 C ATOM 107 CG1 VAL A 7 0.792 -4.306 0.479 1.00 14.21 C ATOM 108 CG2 VAL A 7 1.435 -2.214 -0.818 1.00 53.32 C ATOM 0 H VAL A 7 -0.410 -0.426 0.602 1.00 62.32 H new ATOM 0 HA VAL A 7 -1.244 -2.820 -0.809 1.00 14.25 H new ATOM 0 HB VAL A 7 0.915 -2.316 1.271 1.00 41.24 H new ATOM 0 HG11 VAL A 7 1.853 -4.519 0.609 1.00 14.21 H new ATOM 0 HG12 VAL A 7 0.240 -4.671 1.345 1.00 14.21 H new ATOM 0 HG13 VAL A 7 0.430 -4.806 -0.419 1.00 14.21 H new ATOM 0 HG21 VAL A 7 2.480 -2.482 -0.665 1.00 53.32 H new ATOM 0 HG22 VAL A 7 1.087 -2.633 -1.762 1.00 53.32 H new ATOM 0 HG23 VAL A 7 1.339 -1.129 -0.846 1.00 53.32 H new ATOM 118 N VAL A 8 -2.766 -3.804 0.891 1.00 24.32 N ATOM 119 CA VAL A 8 -3.691 -4.482 1.798 1.00 63.05 C ATOM 120 C VAL A 8 -3.486 -5.990 1.648 1.00 25.20 C ATOM 121 O VAL A 8 -3.083 -6.464 0.582 1.00 54.22 O ATOM 122 CB VAL A 8 -5.188 -4.105 1.483 1.00 52.12 C ATOM 123 CG1 VAL A 8 -5.430 -2.589 1.677 1.00 41.11 C ATOM 124 CG2 VAL A 8 -5.596 -4.551 0.057 1.00 53.25 C ATOM 0 H VAL A 8 -2.955 -4.001 -0.092 1.00 24.32 H new ATOM 0 HA VAL A 8 -3.487 -4.167 2.821 1.00 63.05 H new ATOM 0 HB VAL A 8 -5.819 -4.643 2.191 1.00 52.12 H new ATOM 0 HG11 VAL A 8 -6.471 -2.355 1.453 1.00 41.11 H new ATOM 0 HG12 VAL A 8 -5.210 -2.315 2.709 1.00 41.11 H new ATOM 0 HG13 VAL A 8 -4.780 -2.028 1.006 1.00 41.11 H new ATOM 0 HG21 VAL A 8 -6.634 -4.276 -0.127 1.00 53.25 H new ATOM 0 HG22 VAL A 8 -4.955 -4.060 -0.675 1.00 53.25 H new ATOM 0 HG23 VAL A 8 -5.486 -5.632 -0.032 1.00 53.25 H new ATOM 134 N THR A 9 -3.728 -6.733 2.721 1.00 44.31 N ATOM 135 CA THR A 9 -3.655 -8.202 2.703 1.00 51.31 C ATOM 136 C THR A 9 -5.056 -8.835 2.644 1.00 53.42 C ATOM 137 O THR A 9 -5.183 -10.057 2.510 1.00 63.51 O ATOM 138 CB THR A 9 -2.876 -8.708 3.951 1.00 34.45 C ATOM 139 OG1 THR A 9 -3.481 -8.177 5.140 1.00 11.32 O ATOM 140 CG2 THR A 9 -1.390 -8.294 3.901 1.00 40.34 C ATOM 0 H THR A 9 -3.980 -6.343 3.629 1.00 44.31 H new ATOM 0 HA THR A 9 -3.122 -8.506 1.802 1.00 51.31 H new ATOM 0 HB THR A 9 -2.922 -9.797 3.958 1.00 34.45 H new ATOM 0 HG1 THR A 9 -2.782 -7.946 5.787 1.00 11.32 H new ATOM 0 HG21 THR A 9 -0.879 -8.665 4.789 1.00 40.34 H new ATOM 0 HG22 THR A 9 -0.924 -8.717 3.011 1.00 40.34 H new ATOM 0 HG23 THR A 9 -1.316 -7.207 3.868 1.00 40.34 H new ATOM 148 N SER A 10 -6.101 -7.995 2.697 1.00 41.01 N ATOM 149 CA SER A 10 -7.503 -8.441 2.726 1.00 32.03 C ATOM 150 C SER A 10 -8.296 -7.761 1.601 1.00 41.23 C ATOM 151 O SER A 10 -8.110 -6.567 1.337 1.00 32.22 O ATOM 152 CB SER A 10 -8.134 -8.116 4.099 1.00 72.43 C ATOM 153 OG SER A 10 -9.520 -8.418 4.116 1.00 71.11 O ATOM 0 H SER A 10 -5.997 -6.981 2.721 1.00 41.01 H new ATOM 0 HA SER A 10 -7.535 -9.520 2.573 1.00 32.03 H new ATOM 0 HB2 SER A 10 -7.627 -8.685 4.878 1.00 72.43 H new ATOM 0 HB3 SER A 10 -7.987 -7.060 4.328 1.00 72.43 H new ATOM 0 HG SER A 10 -9.857 -8.357 5.034 1.00 71.11 H new ATOM 159 N GLU A 11 -9.163 -8.550 0.938 1.00 22.33 N ATOM 160 CA GLU A 11 -10.119 -8.067 -0.082 1.00 63.50 C ATOM 161 C GLU A 11 -11.134 -7.078 0.527 1.00 14.31 C ATOM 162 O GLU A 11 -11.665 -6.216 -0.179 1.00 4.33 O ATOM 163 CB GLU A 11 -10.871 -9.260 -0.731 1.00 54.22 C ATOM 164 CG GLU A 11 -9.961 -10.269 -1.460 1.00 12.12 C ATOM 165 CD GLU A 11 -10.748 -11.342 -2.238 1.00 1.02 C ATOM 166 OE1 GLU A 11 -11.179 -11.072 -3.378 1.00 5.23 O ATOM 167 OE2 GLU A 11 -10.952 -12.456 -1.712 1.00 3.41 O ATOM 0 H GLU A 11 -9.221 -9.556 1.097 1.00 22.33 H new ATOM 0 HA GLU A 11 -9.548 -7.544 -0.849 1.00 63.50 H new ATOM 0 HB2 GLU A 11 -11.428 -9.786 0.044 1.00 54.22 H new ATOM 0 HB3 GLU A 11 -11.601 -8.870 -1.440 1.00 54.22 H new ATOM 0 HG2 GLU A 11 -9.312 -9.731 -2.151 1.00 12.12 H new ATOM 0 HG3 GLU A 11 -9.315 -10.758 -0.731 1.00 12.12 H new ATOM 174 N GLN A 12 -11.389 -7.224 1.841 1.00 21.41 N ATOM 175 CA GLN A 12 -12.301 -6.351 2.597 1.00 24.13 C ATOM 176 C GLN A 12 -11.693 -4.944 2.743 1.00 13.32 C ATOM 177 O GLN A 12 -12.401 -3.937 2.637 1.00 43.34 O ATOM 178 CB GLN A 12 -12.626 -6.949 3.994 1.00 2.13 C ATOM 179 CG GLN A 12 -13.435 -8.271 3.983 1.00 31.44 C ATOM 180 CD GLN A 12 -12.644 -9.495 3.506 1.00 62.33 C ATOM 181 OE1 GLN A 12 -12.634 -9.841 2.321 1.00 51.44 O ATOM 182 NE2 GLN A 12 -11.961 -10.153 4.430 1.00 41.41 N ATOM 0 H GLN A 12 -10.964 -7.956 2.410 1.00 21.41 H new ATOM 0 HA GLN A 12 -13.235 -6.276 2.040 1.00 24.13 H new ATOM 0 HB2 GLN A 12 -11.689 -7.122 4.523 1.00 2.13 H new ATOM 0 HB3 GLN A 12 -13.183 -6.207 4.567 1.00 2.13 H new ATOM 0 HG2 GLN A 12 -13.806 -8.464 4.990 1.00 31.44 H new ATOM 0 HG3 GLN A 12 -14.306 -8.144 3.341 1.00 31.44 H new ATOM 0 HE21 GLN A 12 -11.988 -9.843 5.402 1.00 41.41 H new ATOM 0 HE22 GLN A 12 -11.407 -10.969 4.170 1.00 41.41 H new ATOM 191 N LEU A 13 -10.373 -4.892 2.993 1.00 12.32 N ATOM 192 CA LEU A 13 -9.623 -3.625 3.096 1.00 32.20 C ATOM 193 C LEU A 13 -9.455 -2.986 1.701 1.00 34.10 C ATOM 194 O LEU A 13 -9.494 -1.764 1.562 1.00 31.14 O ATOM 195 CB LEU A 13 -8.246 -3.873 3.761 1.00 34.23 C ATOM 196 CG LEU A 13 -8.279 -4.418 5.223 1.00 44.02 C ATOM 197 CD1 LEU A 13 -6.863 -4.785 5.715 1.00 53.31 C ATOM 198 CD2 LEU A 13 -8.966 -3.410 6.178 1.00 21.22 C ATOM 0 H LEU A 13 -9.797 -5.723 3.129 1.00 12.32 H new ATOM 0 HA LEU A 13 -10.185 -2.931 3.721 1.00 32.20 H new ATOM 0 HB2 LEU A 13 -7.689 -4.578 3.144 1.00 34.23 H new ATOM 0 HB3 LEU A 13 -7.689 -2.936 3.756 1.00 34.23 H new ATOM 0 HG LEU A 13 -8.873 -5.332 5.225 1.00 44.02 H new ATOM 0 HD11 LEU A 13 -6.919 -5.161 6.736 1.00 53.31 H new ATOM 0 HD12 LEU A 13 -6.441 -5.553 5.068 1.00 53.31 H new ATOM 0 HD13 LEU A 13 -6.228 -3.900 5.689 1.00 53.31 H new ATOM 0 HD21 LEU A 13 -8.975 -3.815 7.190 1.00 21.22 H new ATOM 0 HD22 LEU A 13 -8.417 -2.468 6.169 1.00 21.22 H new ATOM 0 HD23 LEU A 13 -9.990 -3.236 5.848 1.00 21.22 H new ATOM 210 N LYS A 14 -9.284 -3.849 0.677 1.00 72.13 N ATOM 211 CA LYS A 14 -9.193 -3.442 -0.742 1.00 43.41 C ATOM 212 C LYS A 14 -10.451 -2.664 -1.176 1.00 24.32 C ATOM 213 O LYS A 14 -10.361 -1.493 -1.569 1.00 53.30 O ATOM 214 CB LYS A 14 -8.954 -4.711 -1.626 1.00 3.34 C ATOM 215 CG LYS A 14 -9.252 -4.555 -3.138 1.00 5.11 C ATOM 216 CD LYS A 14 -8.825 -5.800 -3.966 1.00 71.12 C ATOM 217 CE LYS A 14 -9.524 -5.878 -5.345 1.00 14.31 C ATOM 218 NZ LYS A 14 -9.377 -4.635 -6.150 1.00 52.11 N ATOM 0 H LYS A 14 -9.205 -4.857 0.813 1.00 72.13 H new ATOM 0 HA LYS A 14 -8.349 -2.765 -0.874 1.00 43.41 H new ATOM 0 HB2 LYS A 14 -7.914 -5.018 -1.511 1.00 3.34 H new ATOM 0 HB3 LYS A 14 -9.571 -5.521 -1.237 1.00 3.34 H new ATOM 0 HG2 LYS A 14 -10.319 -4.380 -3.278 1.00 5.11 H new ATOM 0 HG3 LYS A 14 -8.732 -3.676 -3.518 1.00 5.11 H new ATOM 0 HD2 LYS A 14 -7.745 -5.779 -4.113 1.00 71.12 H new ATOM 0 HD3 LYS A 14 -9.052 -6.702 -3.398 1.00 71.12 H new ATOM 0 HE2 LYS A 14 -9.113 -6.717 -5.906 1.00 14.31 H new ATOM 0 HE3 LYS A 14 -10.584 -6.083 -5.196 1.00 14.31 H new ATOM 0 HZ1 LYS A 14 -9.793 -4.780 -7.092 1.00 52.11 H new ATOM 0 HZ2 LYS A 14 -9.867 -3.852 -5.672 1.00 52.11 H new ATOM 0 HZ3 LYS A 14 -8.368 -4.403 -6.249 1.00 52.11 H new ATOM 232 N GLU A 15 -11.620 -3.319 -1.046 1.00 31.41 N ATOM 233 CA GLU A 15 -12.912 -2.750 -1.471 1.00 51.35 C ATOM 234 C GLU A 15 -13.267 -1.486 -0.656 1.00 54.05 C ATOM 235 O GLU A 15 -13.908 -0.585 -1.182 1.00 41.33 O ATOM 236 CB GLU A 15 -14.043 -3.812 -1.355 1.00 23.42 C ATOM 237 CG GLU A 15 -14.370 -4.238 0.092 1.00 1.21 C ATOM 238 CD GLU A 15 -15.352 -5.415 0.187 1.00 25.14 C ATOM 239 OE1 GLU A 15 -16.579 -5.188 0.218 1.00 41.03 O ATOM 240 OE2 GLU A 15 -14.899 -6.582 0.238 1.00 22.54 O ATOM 0 H GLU A 15 -11.695 -4.254 -0.645 1.00 31.41 H new ATOM 0 HA GLU A 15 -12.818 -2.456 -2.516 1.00 51.35 H new ATOM 0 HB2 GLU A 15 -14.947 -3.415 -1.817 1.00 23.42 H new ATOM 0 HB3 GLU A 15 -13.755 -4.695 -1.925 1.00 23.42 H new ATOM 0 HG2 GLU A 15 -13.444 -4.509 0.599 1.00 1.21 H new ATOM 0 HG3 GLU A 15 -14.788 -3.385 0.626 1.00 1.21 H new ATOM 247 N GLU A 16 -12.817 -1.436 0.623 1.00 10.33 N ATOM 248 CA GLU A 16 -13.126 -0.329 1.542 1.00 71.14 C ATOM 249 C GLU A 16 -12.393 0.954 1.120 1.00 54.11 C ATOM 250 O GLU A 16 -13.022 1.999 0.931 1.00 33.53 O ATOM 251 CB GLU A 16 -12.732 -0.686 2.993 1.00 11.21 C ATOM 252 CG GLU A 16 -13.188 0.368 4.029 1.00 22.23 C ATOM 253 CD GLU A 16 -12.437 0.292 5.365 1.00 45.41 C ATOM 254 OE1 GLU A 16 -12.700 -0.638 6.156 1.00 34.32 O ATOM 255 OE2 GLU A 16 -11.590 1.175 5.636 1.00 74.04 O ATOM 0 H GLU A 16 -12.233 -2.162 1.038 1.00 10.33 H new ATOM 0 HA GLU A 16 -14.202 -0.160 1.497 1.00 71.14 H new ATOM 0 HB2 GLU A 16 -13.166 -1.652 3.253 1.00 11.21 H new ATOM 0 HB3 GLU A 16 -11.649 -0.797 3.051 1.00 11.21 H new ATOM 0 HG2 GLU A 16 -13.054 1.363 3.604 1.00 22.23 H new ATOM 0 HG3 GLU A 16 -14.255 0.242 4.215 1.00 22.23 H new ATOM 262 N VAL A 17 -11.050 0.857 0.999 1.00 61.44 N ATOM 263 CA VAL A 17 -10.194 1.994 0.613 1.00 74.34 C ATOM 264 C VAL A 17 -10.585 2.519 -0.788 1.00 12.13 C ATOM 265 O VAL A 17 -10.531 3.720 -1.028 1.00 72.55 O ATOM 266 CB VAL A 17 -8.660 1.615 0.665 1.00 24.40 C ATOM 267 CG1 VAL A 17 -7.759 2.800 0.238 1.00 31.54 C ATOM 268 CG2 VAL A 17 -8.248 1.117 2.075 1.00 41.43 C ATOM 0 H VAL A 17 -10.535 -0.007 1.166 1.00 61.44 H new ATOM 0 HA VAL A 17 -10.357 2.791 1.339 1.00 74.34 H new ATOM 0 HB VAL A 17 -8.514 0.803 -0.048 1.00 24.40 H new ATOM 0 HG11 VAL A 17 -6.713 2.498 0.288 1.00 31.54 H new ATOM 0 HG12 VAL A 17 -8.004 3.094 -0.783 1.00 31.54 H new ATOM 0 HG13 VAL A 17 -7.925 3.643 0.908 1.00 31.54 H new ATOM 0 HG21 VAL A 17 -7.188 0.865 2.076 1.00 41.43 H new ATOM 0 HG22 VAL A 17 -8.435 1.902 2.807 1.00 41.43 H new ATOM 0 HG23 VAL A 17 -8.831 0.233 2.334 1.00 41.43 H new ATOM 278 N ARG A 18 -11.008 1.609 -1.690 1.00 21.51 N ATOM 279 CA ARG A 18 -11.462 1.982 -3.048 1.00 53.23 C ATOM 280 C ARG A 18 -12.933 2.455 -3.078 1.00 61.21 C ATOM 281 O ARG A 18 -13.372 3.034 -4.080 1.00 50.32 O ATOM 282 CB ARG A 18 -11.239 0.807 -4.031 1.00 71.43 C ATOM 283 CG ARG A 18 -9.768 0.356 -4.124 1.00 63.04 C ATOM 284 CD ARG A 18 -9.490 -0.561 -5.320 1.00 4.22 C ATOM 285 NE ARG A 18 -9.777 0.120 -6.592 1.00 1.24 N ATOM 286 CZ ARG A 18 -8.968 1.007 -7.196 1.00 31.00 C ATOM 287 NH1 ARG A 18 -7.789 1.352 -6.667 1.00 50.51 N ATOM 288 NH2 ARG A 18 -9.353 1.565 -8.330 1.00 62.31 N ATOM 0 H ARG A 18 -11.045 0.607 -1.502 1.00 21.51 H new ATOM 0 HA ARG A 18 -10.858 2.832 -3.366 1.00 53.23 H new ATOM 0 HB2 ARG A 18 -11.851 -0.039 -3.719 1.00 71.43 H new ATOM 0 HB3 ARG A 18 -11.584 1.102 -5.022 1.00 71.43 H new ATOM 0 HG2 ARG A 18 -9.129 1.236 -4.194 1.00 63.04 H new ATOM 0 HG3 ARG A 18 -9.496 -0.164 -3.205 1.00 63.04 H new ATOM 0 HD2 ARG A 18 -8.448 -0.880 -5.302 1.00 4.22 H new ATOM 0 HD3 ARG A 18 -10.100 -1.461 -5.241 1.00 4.22 H new ATOM 0 HE ARG A 18 -10.661 -0.098 -7.052 1.00 1.24 H new ATOM 0 HH11 ARG A 18 -7.485 0.939 -5.785 1.00 50.51 H new ATOM 0 HH12 ARG A 18 -7.193 2.028 -7.146 1.00 50.51 H new ATOM 0 HH21 ARG A 18 -10.256 1.321 -8.738 1.00 62.31 H new ATOM 0 HH22 ARG A 18 -8.748 2.240 -8.798 1.00 62.31 H new ATOM 302 N LYS A 19 -13.694 2.194 -2.002 1.00 31.14 N ATOM 303 CA LYS A 19 -15.081 2.697 -1.854 1.00 53.14 C ATOM 304 C LYS A 19 -15.047 4.168 -1.408 1.00 22.03 C ATOM 305 O LYS A 19 -15.752 5.025 -1.958 1.00 34.34 O ATOM 306 CB LYS A 19 -15.865 1.839 -0.815 1.00 62.54 C ATOM 307 CG LYS A 19 -17.367 2.206 -0.598 1.00 42.24 C ATOM 308 CD LYS A 19 -18.358 1.534 -1.597 1.00 15.32 C ATOM 309 CE LYS A 19 -18.252 2.042 -3.046 1.00 20.31 C ATOM 310 NZ LYS A 19 -19.225 1.368 -3.949 1.00 1.23 N ATOM 0 H LYS A 19 -13.373 1.633 -1.213 1.00 31.14 H new ATOM 0 HA LYS A 19 -15.591 2.622 -2.815 1.00 53.14 H new ATOM 0 HB2 LYS A 19 -15.810 0.795 -1.124 1.00 62.54 H new ATOM 0 HB3 LYS A 19 -15.354 1.914 0.145 1.00 62.54 H new ATOM 0 HG2 LYS A 19 -17.651 1.927 0.416 1.00 42.24 H new ATOM 0 HG3 LYS A 19 -17.476 3.288 -0.673 1.00 42.24 H new ATOM 0 HD2 LYS A 19 -18.186 0.458 -1.590 1.00 15.32 H new ATOM 0 HD3 LYS A 19 -19.376 1.696 -1.243 1.00 15.32 H new ATOM 0 HE2 LYS A 19 -18.425 3.118 -3.066 1.00 20.31 H new ATOM 0 HE3 LYS A 19 -17.240 1.875 -3.415 1.00 20.31 H new ATOM 0 HZ1 LYS A 19 -19.119 1.741 -4.914 1.00 1.23 H new ATOM 0 HZ2 LYS A 19 -19.045 0.344 -3.951 1.00 1.23 H new ATOM 0 HZ3 LYS A 19 -20.193 1.548 -3.613 1.00 1.23 H new ATOM 324 N LYS A 20 -14.200 4.432 -0.405 1.00 64.52 N ATOM 325 CA LYS A 20 -14.034 5.758 0.207 1.00 41.32 C ATOM 326 C LYS A 20 -13.203 6.671 -0.712 1.00 62.34 C ATOM 327 O LYS A 20 -13.556 7.832 -0.943 1.00 1.31 O ATOM 328 CB LYS A 20 -13.342 5.586 1.583 1.00 1.45 C ATOM 329 CG LYS A 20 -14.114 4.679 2.575 1.00 64.42 C ATOM 330 CD LYS A 20 -13.271 4.262 3.804 1.00 62.23 C ATOM 331 CE LYS A 20 -12.793 5.443 4.666 1.00 33.34 C ATOM 332 NZ LYS A 20 -12.026 4.968 5.850 1.00 53.21 N ATOM 0 H LYS A 20 -13.601 3.719 0.011 1.00 64.52 H new ATOM 0 HA LYS A 20 -15.008 6.226 0.347 1.00 41.32 H new ATOM 0 HB2 LYS A 20 -12.347 5.170 1.427 1.00 1.45 H new ATOM 0 HB3 LYS A 20 -13.209 6.569 2.035 1.00 1.45 H new ATOM 0 HG2 LYS A 20 -15.007 5.203 2.916 1.00 64.42 H new ATOM 0 HG3 LYS A 20 -14.450 3.783 2.052 1.00 64.42 H new ATOM 0 HD2 LYS A 20 -13.862 3.588 4.425 1.00 62.23 H new ATOM 0 HD3 LYS A 20 -12.402 3.700 3.462 1.00 62.23 H new ATOM 0 HE2 LYS A 20 -12.169 6.105 4.066 1.00 33.34 H new ATOM 0 HE3 LYS A 20 -13.652 6.027 4.996 1.00 33.34 H new ATOM 0 HZ1 LYS A 20 -11.993 5.720 6.567 1.00 53.21 H new ATOM 0 HZ2 LYS A 20 -12.490 4.128 6.250 1.00 53.21 H new ATOM 0 HZ3 LYS A 20 -11.057 4.723 5.561 1.00 53.21 H new ATOM 346 N PHE A 21 -12.103 6.104 -1.250 1.00 0.24 N ATOM 347 CA PHE A 21 -11.131 6.823 -2.101 1.00 2.41 C ATOM 348 C PHE A 21 -10.935 6.018 -3.409 1.00 32.33 C ATOM 349 O PHE A 21 -10.026 5.185 -3.493 1.00 2.14 O ATOM 350 CB PHE A 21 -9.761 6.998 -1.361 1.00 33.24 C ATOM 351 CG PHE A 21 -9.868 7.443 0.100 1.00 1.33 C ATOM 352 CD1 PHE A 21 -10.103 8.777 0.432 1.00 11.10 C ATOM 353 CD2 PHE A 21 -9.733 6.524 1.141 1.00 4.51 C ATOM 354 CE1 PHE A 21 -10.199 9.177 1.750 1.00 14.13 C ATOM 355 CE2 PHE A 21 -9.833 6.927 2.460 1.00 44.31 C ATOM 356 CZ PHE A 21 -10.063 8.250 2.762 1.00 72.12 C ATOM 0 H PHE A 21 -11.862 5.124 -1.104 1.00 0.24 H new ATOM 0 HA PHE A 21 -11.513 7.818 -2.327 1.00 2.41 H new ATOM 0 HB2 PHE A 21 -9.221 6.052 -1.398 1.00 33.24 H new ATOM 0 HB3 PHE A 21 -9.162 7.728 -1.905 1.00 33.24 H new ATOM 0 HD1 PHE A 21 -10.212 9.509 -0.355 1.00 11.10 H new ATOM 0 HD2 PHE A 21 -9.548 5.485 0.914 1.00 4.51 H new ATOM 0 HE1 PHE A 21 -10.380 10.215 1.988 1.00 14.13 H new ATOM 0 HE2 PHE A 21 -9.730 6.203 3.254 1.00 44.31 H new ATOM 0 HZ PHE A 21 -10.137 8.563 3.793 1.00 72.12 H new ATOM 366 N PRO A 22 -11.810 6.215 -4.438 1.00 34.45 N ATOM 367 CA PRO A 22 -11.732 5.437 -5.707 1.00 32.01 C ATOM 368 C PRO A 22 -10.558 5.877 -6.615 1.00 71.13 C ATOM 369 O PRO A 22 -10.197 5.169 -7.563 1.00 12.12 O ATOM 370 CB PRO A 22 -13.104 5.730 -6.362 1.00 44.55 C ATOM 371 CG PRO A 22 -13.466 7.108 -5.883 1.00 71.25 C ATOM 372 CD PRO A 22 -12.947 7.189 -4.457 1.00 10.33 C ATOM 0 HA PRO A 22 -11.540 4.377 -5.539 1.00 32.01 H new ATOM 0 HB2 PRO A 22 -13.040 5.692 -7.449 1.00 44.55 H new ATOM 0 HB3 PRO A 22 -13.852 4.996 -6.061 1.00 44.55 H new ATOM 0 HG2 PRO A 22 -13.011 7.874 -6.511 1.00 71.25 H new ATOM 0 HG3 PRO A 22 -14.544 7.266 -5.918 1.00 71.25 H new ATOM 0 HD2 PRO A 22 -12.615 8.197 -4.208 1.00 10.33 H new ATOM 0 HD3 PRO A 22 -13.717 6.920 -3.734 1.00 10.33 H new ATOM 380 N GLN A 23 -9.966 7.036 -6.286 1.00 72.31 N ATOM 381 CA GLN A 23 -8.943 7.699 -7.112 1.00 54.11 C ATOM 382 C GLN A 23 -7.519 7.239 -6.752 1.00 63.12 C ATOM 383 O GLN A 23 -6.582 7.567 -7.473 1.00 12.43 O ATOM 384 CB GLN A 23 -9.053 9.241 -6.960 1.00 1.02 C ATOM 385 CG GLN A 23 -8.815 9.769 -5.522 1.00 63.41 C ATOM 386 CD GLN A 23 -8.809 11.297 -5.425 1.00 15.42 C ATOM 387 OE1 GLN A 23 -8.427 12.000 -6.360 1.00 72.33 O ATOM 388 NE2 GLN A 23 -9.232 11.822 -4.289 1.00 52.55 N ATOM 0 H GLN A 23 -10.186 7.545 -5.430 1.00 72.31 H new ATOM 0 HA GLN A 23 -9.128 7.416 -8.148 1.00 54.11 H new ATOM 0 HB2 GLN A 23 -8.332 9.711 -7.629 1.00 1.02 H new ATOM 0 HB3 GLN A 23 -10.044 9.555 -7.288 1.00 1.02 H new ATOM 0 HG2 GLN A 23 -9.591 9.374 -4.866 1.00 63.41 H new ATOM 0 HG3 GLN A 23 -7.862 9.386 -5.156 1.00 63.41 H new ATOM 0 HE21 GLN A 23 -9.543 11.214 -3.531 1.00 52.55 H new ATOM 0 HE22 GLN A 23 -9.248 12.835 -4.170 1.00 52.55 H new ATOM 397 N VAL A 24 -7.360 6.513 -5.626 1.00 62.13 N ATOM 398 CA VAL A 24 -6.034 6.030 -5.168 1.00 41.13 C ATOM 399 C VAL A 24 -5.765 4.606 -5.684 1.00 21.34 C ATOM 400 O VAL A 24 -6.700 3.875 -6.043 1.00 71.11 O ATOM 401 CB VAL A 24 -5.887 6.069 -3.595 1.00 52.21 C ATOM 402 CG1 VAL A 24 -6.117 7.496 -3.049 1.00 63.12 C ATOM 403 CG2 VAL A 24 -6.817 5.048 -2.892 1.00 2.42 C ATOM 0 H VAL A 24 -8.132 6.247 -5.015 1.00 62.13 H new ATOM 0 HA VAL A 24 -5.292 6.712 -5.584 1.00 41.13 H new ATOM 0 HB VAL A 24 -4.862 5.777 -3.366 1.00 52.21 H new ATOM 0 HG11 VAL A 24 -6.010 7.492 -1.964 1.00 63.12 H new ATOM 0 HG12 VAL A 24 -5.383 8.175 -3.484 1.00 63.12 H new ATOM 0 HG13 VAL A 24 -7.121 7.829 -3.313 1.00 63.12 H new ATOM 0 HG21 VAL A 24 -6.679 5.113 -1.813 1.00 2.42 H new ATOM 0 HG22 VAL A 24 -7.855 5.271 -3.139 1.00 2.42 H new ATOM 0 HG23 VAL A 24 -6.572 4.041 -3.229 1.00 2.42 H new ATOM 413 N GLU A 25 -4.478 4.222 -5.719 1.00 44.53 N ATOM 414 CA GLU A 25 -4.062 2.869 -6.099 1.00 55.43 C ATOM 415 C GLU A 25 -4.070 1.966 -4.861 1.00 54.32 C ATOM 416 O GLU A 25 -3.684 2.402 -3.776 1.00 11.34 O ATOM 417 CB GLU A 25 -2.653 2.887 -6.746 1.00 72.41 C ATOM 418 CG GLU A 25 -2.518 3.811 -7.972 1.00 50.22 C ATOM 419 CD GLU A 25 -3.582 3.546 -9.055 1.00 32.04 C ATOM 420 OE1 GLU A 25 -3.585 2.442 -9.647 1.00 62.02 O ATOM 421 OE2 GLU A 25 -4.416 4.437 -9.331 1.00 4.11 O ATOM 0 H GLU A 25 -3.702 4.841 -5.485 1.00 44.53 H new ATOM 0 HA GLU A 25 -4.764 2.478 -6.835 1.00 55.43 H new ATOM 0 HB2 GLU A 25 -1.927 3.196 -5.994 1.00 72.41 H new ATOM 0 HB3 GLU A 25 -2.392 1.871 -7.043 1.00 72.41 H new ATOM 0 HG2 GLU A 25 -2.592 4.849 -7.646 1.00 50.22 H new ATOM 0 HG3 GLU A 25 -1.527 3.683 -8.407 1.00 50.22 H new ATOM 428 N VAL A 26 -4.555 0.727 -5.026 1.00 1.14 N ATOM 429 CA VAL A 26 -4.556 -0.305 -3.965 1.00 12.35 C ATOM 430 C VAL A 26 -4.023 -1.622 -4.557 1.00 0.02 C ATOM 431 O VAL A 26 -4.404 -2.002 -5.666 1.00 30.32 O ATOM 432 CB VAL A 26 -6.000 -0.516 -3.352 1.00 11.03 C ATOM 433 CG1 VAL A 26 -6.038 -1.680 -2.329 1.00 72.45 C ATOM 434 CG2 VAL A 26 -6.520 0.788 -2.700 1.00 4.11 C ATOM 0 H VAL A 26 -4.962 0.405 -5.904 1.00 1.14 H new ATOM 0 HA VAL A 26 -3.912 0.027 -3.151 1.00 12.35 H new ATOM 0 HB VAL A 26 -6.658 -0.784 -4.179 1.00 11.03 H new ATOM 0 HG11 VAL A 26 -7.049 -1.786 -1.936 1.00 72.45 H new ATOM 0 HG12 VAL A 26 -5.741 -2.606 -2.821 1.00 72.45 H new ATOM 0 HG13 VAL A 26 -5.351 -1.467 -1.510 1.00 72.45 H new ATOM 0 HG21 VAL A 26 -7.514 0.617 -2.286 1.00 4.11 H new ATOM 0 HG22 VAL A 26 -5.842 1.091 -1.902 1.00 4.11 H new ATOM 0 HG23 VAL A 26 -6.571 1.576 -3.452 1.00 4.11 H new ATOM 444 N ARG A 27 -3.122 -2.298 -3.824 1.00 71.10 N ATOM 445 CA ARG A 27 -2.526 -3.585 -4.232 1.00 73.12 C ATOM 446 C ARG A 27 -2.857 -4.664 -3.192 1.00 22.30 C ATOM 447 O ARG A 27 -2.585 -4.485 -2.006 1.00 71.01 O ATOM 448 CB ARG A 27 -0.990 -3.436 -4.391 1.00 14.41 C ATOM 449 CG ARG A 27 -0.518 -2.535 -5.561 1.00 53.45 C ATOM 450 CD ARG A 27 -0.818 -3.121 -6.955 1.00 71.40 C ATOM 451 NE ARG A 27 -2.255 -3.079 -7.305 1.00 40.10 N ATOM 452 CZ ARG A 27 -2.881 -3.962 -8.096 1.00 62.21 C ATOM 453 NH1 ARG A 27 -2.224 -4.985 -8.629 1.00 44.32 N ATOM 454 NH2 ARG A 27 -4.179 -3.837 -8.336 1.00 3.00 N ATOM 0 H ARG A 27 -2.782 -1.964 -2.922 1.00 71.10 H new ATOM 0 HA ARG A 27 -2.944 -3.884 -5.193 1.00 73.12 H new ATOM 0 HB2 ARG A 27 -0.585 -3.035 -3.462 1.00 14.41 H new ATOM 0 HB3 ARG A 27 -0.559 -4.428 -4.525 1.00 14.41 H new ATOM 0 HG2 ARG A 27 -1.000 -1.561 -5.475 1.00 53.45 H new ATOM 0 HG3 ARG A 27 0.555 -2.369 -5.470 1.00 53.45 H new ATOM 0 HD2 ARG A 27 -0.251 -2.569 -7.704 1.00 71.40 H new ATOM 0 HD3 ARG A 27 -0.471 -4.154 -6.991 1.00 71.40 H new ATOM 0 HE ARG A 27 -2.812 -2.319 -6.914 1.00 40.10 H new ATOM 0 HH11 ARG A 27 -1.229 -5.107 -8.439 1.00 44.32 H new ATOM 0 HH12 ARG A 27 -2.714 -5.649 -9.229 1.00 44.32 H new ATOM 0 HH21 ARG A 27 -4.703 -3.068 -7.919 1.00 3.00 H new ATOM 0 HH22 ARG A 27 -4.653 -4.510 -8.938 1.00 3.00 H new ATOM 468 N LEU A 28 -3.445 -5.777 -3.654 1.00 20.31 N ATOM 469 CA LEU A 28 -3.821 -6.911 -2.796 1.00 45.22 C ATOM 470 C LEU A 28 -2.674 -7.933 -2.750 1.00 30.51 C ATOM 471 O LEU A 28 -2.204 -8.395 -3.800 1.00 0.43 O ATOM 472 CB LEU A 28 -5.116 -7.578 -3.327 1.00 21.24 C ATOM 473 CG LEU A 28 -5.637 -8.811 -2.516 1.00 53.53 C ATOM 474 CD1 LEU A 28 -6.008 -8.419 -1.073 1.00 31.31 C ATOM 475 CD2 LEU A 28 -6.819 -9.495 -3.233 1.00 32.55 C ATOM 0 H LEU A 28 -3.674 -5.917 -4.638 1.00 20.31 H new ATOM 0 HA LEU A 28 -4.009 -6.546 -1.786 1.00 45.22 H new ATOM 0 HB2 LEU A 28 -5.904 -6.826 -3.352 1.00 21.24 H new ATOM 0 HB3 LEU A 28 -4.943 -7.892 -4.356 1.00 21.24 H new ATOM 0 HG LEU A 28 -4.823 -9.534 -2.460 1.00 53.53 H new ATOM 0 HD11 LEU A 28 -6.366 -9.298 -0.538 1.00 31.31 H new ATOM 0 HD12 LEU A 28 -5.129 -8.019 -0.567 1.00 31.31 H new ATOM 0 HD13 LEU A 28 -6.792 -7.662 -1.092 1.00 31.31 H new ATOM 0 HD21 LEU A 28 -7.158 -10.347 -2.644 1.00 32.55 H new ATOM 0 HD22 LEU A 28 -7.637 -8.784 -3.345 1.00 32.55 H new ATOM 0 HD23 LEU A 28 -6.499 -9.838 -4.217 1.00 32.55 H new ATOM 487 N VAL A 29 -2.219 -8.274 -1.530 1.00 54.05 N ATOM 488 CA VAL A 29 -1.166 -9.274 -1.298 1.00 71.40 C ATOM 489 C VAL A 29 -1.740 -10.438 -0.475 1.00 53.31 C ATOM 490 O VAL A 29 -2.012 -10.293 0.722 1.00 11.43 O ATOM 491 CB VAL A 29 0.091 -8.650 -0.580 1.00 35.50 C ATOM 492 CG1 VAL A 29 1.179 -9.718 -0.284 1.00 41.10 C ATOM 493 CG2 VAL A 29 0.686 -7.487 -1.407 1.00 24.03 C ATOM 0 H VAL A 29 -2.577 -7.857 -0.671 1.00 54.05 H new ATOM 0 HA VAL A 29 -0.827 -9.644 -2.266 1.00 71.40 H new ATOM 0 HB VAL A 29 -0.253 -8.254 0.376 1.00 35.50 H new ATOM 0 HG11 VAL A 29 2.027 -9.246 0.211 1.00 41.10 H new ATOM 0 HG12 VAL A 29 0.764 -10.490 0.364 1.00 41.10 H new ATOM 0 HG13 VAL A 29 1.510 -10.169 -1.219 1.00 41.10 H new ATOM 0 HG21 VAL A 29 1.551 -7.076 -0.887 1.00 24.03 H new ATOM 0 HG22 VAL A 29 0.992 -7.856 -2.386 1.00 24.03 H new ATOM 0 HG23 VAL A 29 -0.066 -6.708 -1.532 1.00 24.03 H new ATOM 503 N THR A 30 -1.973 -11.570 -1.147 1.00 41.24 N ATOM 504 CA THR A 30 -2.445 -12.813 -0.511 1.00 51.21 C ATOM 505 C THR A 30 -1.304 -13.851 -0.456 1.00 43.31 C ATOM 506 O THR A 30 -1.246 -14.689 0.456 1.00 63.00 O ATOM 507 CB THR A 30 -3.679 -13.397 -1.281 1.00 21.24 C ATOM 508 OG1 THR A 30 -3.333 -13.626 -2.661 1.00 51.40 O ATOM 509 CG2 THR A 30 -4.899 -12.457 -1.208 1.00 75.54 C ATOM 0 H THR A 30 -1.840 -11.654 -2.155 1.00 41.24 H new ATOM 0 HA THR A 30 -2.757 -12.581 0.507 1.00 51.21 H new ATOM 0 HB THR A 30 -3.949 -14.338 -0.802 1.00 21.24 H new ATOM 0 HG1 THR A 30 -2.449 -13.244 -2.844 1.00 51.40 H new ATOM 0 HG21 THR A 30 -5.732 -12.899 -1.754 1.00 75.54 H new ATOM 0 HG22 THR A 30 -5.184 -12.312 -0.166 1.00 75.54 H new ATOM 0 HG23 THR A 30 -4.644 -11.495 -1.652 1.00 75.54 H new ATOM 517 N THR A 31 -0.393 -13.781 -1.442 1.00 21.24 N ATOM 518 CA THR A 31 0.773 -14.682 -1.554 1.00 73.34 C ATOM 519 C THR A 31 2.053 -13.855 -1.721 1.00 12.53 C ATOM 520 O THR A 31 1.990 -12.624 -1.868 1.00 44.24 O ATOM 521 CB THR A 31 0.632 -15.649 -2.774 1.00 0.14 C ATOM 522 OG1 THR A 31 0.591 -14.894 -3.990 1.00 31.13 O ATOM 523 CG2 THR A 31 -0.628 -16.523 -2.684 1.00 44.21 C ATOM 0 H THR A 31 -0.444 -13.092 -2.192 1.00 21.24 H new ATOM 0 HA THR A 31 0.823 -15.277 -0.642 1.00 73.34 H new ATOM 0 HB THR A 31 1.500 -16.309 -2.762 1.00 0.14 H new ATOM 0 HG1 THR A 31 -0.025 -14.139 -3.886 1.00 31.13 H new ATOM 0 HG21 THR A 31 -0.680 -17.177 -3.555 1.00 44.21 H new ATOM 0 HG22 THR A 31 -0.587 -17.128 -1.778 1.00 44.21 H new ATOM 0 HG23 THR A 31 -1.512 -15.886 -2.656 1.00 44.21 H new ATOM 531 N GLU A 32 3.210 -14.546 -1.703 1.00 50.04 N ATOM 532 CA GLU A 32 4.522 -13.931 -1.959 1.00 54.11 C ATOM 533 C GLU A 32 4.595 -13.382 -3.394 1.00 23.32 C ATOM 534 O GLU A 32 5.163 -12.312 -3.616 1.00 34.14 O ATOM 535 CB GLU A 32 5.671 -14.953 -1.696 1.00 14.14 C ATOM 536 CG GLU A 32 7.107 -14.408 -1.912 1.00 42.33 C ATOM 537 CD GLU A 32 7.435 -13.182 -1.031 1.00 11.22 C ATOM 538 OE1 GLU A 32 7.897 -13.363 0.116 1.00 1.31 O ATOM 539 OE2 GLU A 32 7.206 -12.032 -1.467 1.00 63.54 O ATOM 0 H GLU A 32 3.258 -15.546 -1.510 1.00 50.04 H new ATOM 0 HA GLU A 32 4.648 -13.096 -1.270 1.00 54.11 H new ATOM 0 HB2 GLU A 32 5.587 -15.312 -0.670 1.00 14.14 H new ATOM 0 HB3 GLU A 32 5.525 -15.814 -2.348 1.00 14.14 H new ATOM 0 HG2 GLU A 32 7.825 -15.201 -1.701 1.00 42.33 H new ATOM 0 HG3 GLU A 32 7.231 -14.137 -2.960 1.00 42.33 H new ATOM 546 N GLU A 33 3.980 -14.113 -4.351 1.00 4.44 N ATOM 547 CA GLU A 33 3.958 -13.721 -5.774 1.00 42.03 C ATOM 548 C GLU A 33 3.380 -12.309 -5.960 1.00 13.34 C ATOM 549 O GLU A 33 3.903 -11.522 -6.762 1.00 22.24 O ATOM 550 CB GLU A 33 3.166 -14.754 -6.618 1.00 72.04 C ATOM 551 CG GLU A 33 3.789 -16.169 -6.641 1.00 63.03 C ATOM 552 CD GLU A 33 5.273 -16.188 -7.083 1.00 32.55 C ATOM 553 OE1 GLU A 33 5.549 -16.061 -8.292 1.00 51.33 O ATOM 554 OE2 GLU A 33 6.172 -16.304 -6.224 1.00 11.53 O ATOM 0 H GLU A 33 3.488 -14.986 -4.158 1.00 4.44 H new ATOM 0 HA GLU A 33 4.989 -13.706 -6.128 1.00 42.03 H new ATOM 0 HB2 GLU A 33 2.151 -14.823 -6.227 1.00 72.04 H new ATOM 0 HB3 GLU A 33 3.089 -14.387 -7.641 1.00 72.04 H new ATOM 0 HG2 GLU A 33 3.710 -16.608 -5.646 1.00 63.03 H new ATOM 0 HG3 GLU A 33 3.210 -16.800 -7.315 1.00 63.03 H new ATOM 561 N ASP A 34 2.319 -11.996 -5.181 1.00 14.51 N ATOM 562 CA ASP A 34 1.707 -10.658 -5.169 1.00 21.12 C ATOM 563 C ASP A 34 2.738 -9.609 -4.743 1.00 1.25 C ATOM 564 O ASP A 34 3.012 -8.694 -5.504 1.00 50.44 O ATOM 565 CB ASP A 34 0.483 -10.585 -4.222 1.00 2.51 C ATOM 566 CG ASP A 34 -0.719 -11.408 -4.699 1.00 11.31 C ATOM 567 OD1 ASP A 34 -1.355 -11.023 -5.699 1.00 5.23 O ATOM 568 OD2 ASP A 34 -1.045 -12.436 -4.077 1.00 54.51 O ATOM 0 H ASP A 34 1.870 -12.661 -4.551 1.00 14.51 H new ATOM 0 HA ASP A 34 1.363 -10.454 -6.183 1.00 21.12 H new ATOM 0 HB2 ASP A 34 0.780 -10.933 -3.233 1.00 2.51 H new ATOM 0 HB3 ASP A 34 0.179 -9.544 -4.116 1.00 2.51 H new ATOM 573 N ALA A 35 3.342 -9.810 -3.544 1.00 34.01 N ATOM 574 CA ALA A 35 4.292 -8.852 -2.925 1.00 32.21 C ATOM 575 C ALA A 35 5.455 -8.489 -3.871 1.00 43.32 C ATOM 576 O ALA A 35 5.854 -7.324 -3.959 1.00 40.54 O ATOM 577 CB ALA A 35 4.833 -9.424 -1.604 1.00 15.15 C ATOM 0 H ALA A 35 3.183 -10.644 -2.978 1.00 34.01 H new ATOM 0 HA ALA A 35 3.744 -7.932 -2.723 1.00 32.21 H new ATOM 0 HB1 ALA A 35 5.529 -8.714 -1.158 1.00 15.15 H new ATOM 0 HB2 ALA A 35 4.005 -9.600 -0.918 1.00 15.15 H new ATOM 0 HB3 ALA A 35 5.349 -10.364 -1.799 1.00 15.15 H new ATOM 583 N LYS A 36 5.967 -9.516 -4.573 1.00 4.44 N ATOM 584 CA LYS A 36 7.009 -9.379 -5.608 1.00 53.52 C ATOM 585 C LYS A 36 6.562 -8.430 -6.739 1.00 14.11 C ATOM 586 O LYS A 36 7.291 -7.498 -7.097 1.00 23.22 O ATOM 587 CB LYS A 36 7.332 -10.781 -6.176 1.00 1.13 C ATOM 588 CG LYS A 36 7.976 -11.738 -5.148 1.00 12.14 C ATOM 589 CD LYS A 36 7.918 -13.222 -5.584 1.00 13.43 C ATOM 590 CE LYS A 36 8.585 -13.502 -6.944 1.00 4.14 C ATOM 591 NZ LYS A 36 8.573 -14.957 -7.271 1.00 75.40 N ATOM 0 H LYS A 36 5.664 -10.480 -4.435 1.00 4.44 H new ATOM 0 HA LYS A 36 7.901 -8.944 -5.156 1.00 53.52 H new ATOM 0 HB2 LYS A 36 6.413 -11.231 -6.551 1.00 1.13 H new ATOM 0 HB3 LYS A 36 8.004 -10.672 -7.027 1.00 1.13 H new ATOM 0 HG2 LYS A 36 9.016 -11.451 -4.994 1.00 12.14 H new ATOM 0 HG3 LYS A 36 7.470 -11.627 -4.189 1.00 12.14 H new ATOM 0 HD2 LYS A 36 8.401 -13.833 -4.821 1.00 13.43 H new ATOM 0 HD3 LYS A 36 6.875 -13.536 -5.631 1.00 13.43 H new ATOM 0 HE2 LYS A 36 8.065 -12.948 -7.726 1.00 4.14 H new ATOM 0 HE3 LYS A 36 9.613 -13.141 -6.927 1.00 4.14 H new ATOM 0 HZ1 LYS A 36 8.587 -15.081 -8.304 1.00 75.40 H new ATOM 0 HZ2 LYS A 36 9.411 -15.413 -6.857 1.00 75.40 H new ATOM 0 HZ3 LYS A 36 7.713 -15.393 -6.881 1.00 75.40 H new ATOM 605 N GLN A 37 5.354 -8.686 -7.281 1.00 63.41 N ATOM 606 CA GLN A 37 4.773 -7.890 -8.385 1.00 54.11 C ATOM 607 C GLN A 37 4.420 -6.455 -7.935 1.00 30.44 C ATOM 608 O GLN A 37 4.516 -5.520 -8.732 1.00 45.35 O ATOM 609 CB GLN A 37 3.516 -8.598 -8.951 1.00 0.43 C ATOM 610 CG GLN A 37 3.795 -9.972 -9.580 1.00 64.52 C ATOM 611 CD GLN A 37 2.534 -10.657 -10.100 1.00 34.44 C ATOM 612 OE1 GLN A 37 1.886 -11.417 -9.383 1.00 52.23 O ATOM 613 NE2 GLN A 37 2.164 -10.377 -11.343 1.00 33.03 N ATOM 0 H GLN A 37 4.754 -9.449 -6.967 1.00 63.41 H new ATOM 0 HA GLN A 37 5.527 -7.813 -9.168 1.00 54.11 H new ATOM 0 HB2 GLN A 37 2.789 -8.720 -8.148 1.00 0.43 H new ATOM 0 HB3 GLN A 37 3.057 -7.954 -9.701 1.00 0.43 H new ATOM 0 HG2 GLN A 37 4.502 -9.853 -10.401 1.00 64.52 H new ATOM 0 HG3 GLN A 37 4.272 -10.614 -8.840 1.00 64.52 H new ATOM 0 HE21 GLN A 37 2.725 -9.742 -11.911 1.00 33.03 H new ATOM 0 HE22 GLN A 37 1.319 -10.797 -11.730 1.00 33.03 H new ATOM 622 N VAL A 38 4.026 -6.308 -6.655 1.00 63.13 N ATOM 623 CA VAL A 38 3.642 -5.021 -6.052 1.00 52.34 C ATOM 624 C VAL A 38 4.849 -4.066 -5.996 1.00 51.32 C ATOM 625 O VAL A 38 4.718 -2.905 -6.378 1.00 30.25 O ATOM 626 CB VAL A 38 3.008 -5.232 -4.620 1.00 52.22 C ATOM 627 CG1 VAL A 38 2.810 -3.900 -3.863 1.00 42.23 C ATOM 628 CG2 VAL A 38 1.661 -5.988 -4.730 1.00 73.32 C ATOM 0 H VAL A 38 3.965 -7.091 -6.004 1.00 63.13 H new ATOM 0 HA VAL A 38 2.881 -4.562 -6.683 1.00 52.34 H new ATOM 0 HB VAL A 38 3.713 -5.832 -4.044 1.00 52.22 H new ATOM 0 HG11 VAL A 38 2.372 -4.099 -2.885 1.00 42.23 H new ATOM 0 HG12 VAL A 38 3.774 -3.407 -3.735 1.00 42.23 H new ATOM 0 HG13 VAL A 38 2.144 -3.253 -4.434 1.00 42.23 H new ATOM 0 HG21 VAL A 38 1.238 -6.125 -3.735 1.00 73.32 H new ATOM 0 HG22 VAL A 38 0.968 -5.410 -5.342 1.00 73.32 H new ATOM 0 HG23 VAL A 38 1.827 -6.962 -5.191 1.00 73.32 H new ATOM 638 N ILE A 39 6.015 -4.592 -5.555 1.00 5.02 N ATOM 639 CA ILE A 39 7.301 -3.847 -5.536 1.00 53.21 C ATOM 640 C ILE A 39 7.568 -3.192 -6.909 1.00 34.30 C ATOM 641 O ILE A 39 7.872 -1.999 -7.001 1.00 71.34 O ATOM 642 CB ILE A 39 8.502 -4.806 -5.168 1.00 31.21 C ATOM 643 CG1 ILE A 39 8.372 -5.325 -3.703 1.00 21.34 C ATOM 644 CG2 ILE A 39 9.880 -4.133 -5.394 1.00 54.12 C ATOM 645 CD1 ILE A 39 9.406 -6.363 -3.299 1.00 63.44 C ATOM 0 H ILE A 39 6.094 -5.546 -5.201 1.00 5.02 H new ATOM 0 HA ILE A 39 7.224 -3.070 -4.776 1.00 53.21 H new ATOM 0 HB ILE A 39 8.447 -5.660 -5.844 1.00 31.21 H new ATOM 0 HG12 ILE A 39 8.446 -4.476 -3.024 1.00 21.34 H new ATOM 0 HG13 ILE A 39 7.378 -5.753 -3.571 1.00 21.34 H new ATOM 0 HG21 ILE A 39 10.674 -4.831 -5.127 1.00 54.12 H new ATOM 0 HG22 ILE A 39 9.980 -3.853 -6.443 1.00 54.12 H new ATOM 0 HG23 ILE A 39 9.956 -3.242 -4.771 1.00 54.12 H new ATOM 0 HD11 ILE A 39 9.235 -6.663 -2.265 1.00 63.44 H new ATOM 0 HD12 ILE A 39 9.320 -7.234 -3.949 1.00 63.44 H new ATOM 0 HD13 ILE A 39 10.405 -5.937 -3.393 1.00 63.44 H new ATOM 657 N LYS A 40 7.385 -3.998 -7.959 1.00 12.41 N ATOM 658 CA LYS A 40 7.660 -3.608 -9.345 1.00 34.15 C ATOM 659 C LYS A 40 6.621 -2.588 -9.836 1.00 13.23 C ATOM 660 O LYS A 40 6.972 -1.596 -10.474 1.00 62.13 O ATOM 661 CB LYS A 40 7.639 -4.866 -10.239 1.00 51.35 C ATOM 662 CG LYS A 40 8.553 -5.997 -9.747 1.00 63.31 C ATOM 663 CD LYS A 40 8.462 -7.262 -10.627 1.00 43.33 C ATOM 664 CE LYS A 40 9.276 -8.419 -10.042 1.00 11.33 C ATOM 665 NZ LYS A 40 9.322 -9.597 -10.937 1.00 30.41 N ATOM 0 H LYS A 40 7.037 -4.953 -7.869 1.00 12.41 H new ATOM 0 HA LYS A 40 8.643 -3.140 -9.397 1.00 34.15 H new ATOM 0 HB2 LYS A 40 6.617 -5.239 -10.299 1.00 51.35 H new ATOM 0 HB3 LYS A 40 7.936 -4.586 -11.250 1.00 51.35 H new ATOM 0 HG2 LYS A 40 9.584 -5.644 -9.731 1.00 63.31 H new ATOM 0 HG3 LYS A 40 8.287 -6.253 -8.721 1.00 63.31 H new ATOM 0 HD2 LYS A 40 7.419 -7.563 -10.724 1.00 43.33 H new ATOM 0 HD3 LYS A 40 8.823 -7.034 -11.630 1.00 43.33 H new ATOM 0 HE2 LYS A 40 10.292 -8.079 -9.844 1.00 11.33 H new ATOM 0 HE3 LYS A 40 8.846 -8.712 -9.084 1.00 11.33 H new ATOM 0 HZ1 LYS A 40 9.885 -10.349 -10.492 1.00 30.41 H new ATOM 0 HZ2 LYS A 40 8.356 -9.942 -11.106 1.00 30.41 H new ATOM 0 HZ3 LYS A 40 9.757 -9.328 -11.842 1.00 30.41 H new ATOM 679 N GLU A 41 5.344 -2.844 -9.478 1.00 71.23 N ATOM 680 CA GLU A 41 4.186 -2.065 -9.942 1.00 15.15 C ATOM 681 C GLU A 41 4.265 -0.610 -9.443 1.00 53.31 C ATOM 682 O GLU A 41 4.013 0.331 -10.199 1.00 41.21 O ATOM 683 CB GLU A 41 2.865 -2.737 -9.461 1.00 13.01 C ATOM 684 CG GLU A 41 1.576 -2.135 -10.070 1.00 54.23 C ATOM 685 CD GLU A 41 1.479 -2.342 -11.596 1.00 13.22 C ATOM 686 OE1 GLU A 41 2.063 -1.548 -12.359 1.00 43.33 O ATOM 687 OE2 GLU A 41 0.849 -3.321 -12.040 1.00 2.43 O ATOM 0 H GLU A 41 5.090 -3.608 -8.851 1.00 71.23 H new ATOM 0 HA GLU A 41 4.196 -2.046 -11.032 1.00 15.15 H new ATOM 0 HB2 GLU A 41 2.904 -3.799 -9.704 1.00 13.01 H new ATOM 0 HB3 GLU A 41 2.808 -2.660 -8.375 1.00 13.01 H new ATOM 0 HG2 GLU A 41 0.708 -2.588 -9.591 1.00 54.23 H new ATOM 0 HG3 GLU A 41 1.540 -1.068 -9.850 1.00 54.23 H new ATOM 694 N ILE A 42 4.628 -0.470 -8.158 1.00 54.22 N ATOM 695 CA ILE A 42 4.877 0.819 -7.494 1.00 15.53 C ATOM 696 C ILE A 42 5.942 1.648 -8.261 1.00 24.04 C ATOM 697 O ILE A 42 5.750 2.845 -8.506 1.00 73.34 O ATOM 698 CB ILE A 42 5.333 0.559 -6.004 1.00 15.11 C ATOM 699 CG1 ILE A 42 4.180 -0.096 -5.167 1.00 2.34 C ATOM 700 CG2 ILE A 42 5.829 1.847 -5.328 1.00 43.13 C ATOM 701 CD1 ILE A 42 4.613 -0.637 -3.808 1.00 53.22 C ATOM 0 H ILE A 42 4.760 -1.269 -7.538 1.00 54.22 H new ATOM 0 HA ILE A 42 3.954 1.399 -7.491 1.00 15.53 H new ATOM 0 HB ILE A 42 6.170 -0.139 -6.040 1.00 15.11 H new ATOM 0 HG12 ILE A 42 3.393 0.643 -5.016 1.00 2.34 H new ATOM 0 HG13 ILE A 42 3.745 -0.911 -5.746 1.00 2.34 H new ATOM 0 HG21 ILE A 42 6.134 1.627 -4.305 1.00 43.13 H new ATOM 0 HG22 ILE A 42 6.679 2.245 -5.882 1.00 43.13 H new ATOM 0 HG23 ILE A 42 5.026 2.584 -5.317 1.00 43.13 H new ATOM 0 HD11 ILE A 42 3.753 -1.072 -3.299 1.00 53.22 H new ATOM 0 HD12 ILE A 42 5.377 -1.402 -3.947 1.00 53.22 H new ATOM 0 HD13 ILE A 42 5.019 0.176 -3.206 1.00 53.22 H new ATOM 713 N GLN A 43 7.036 0.973 -8.662 1.00 41.02 N ATOM 714 CA GLN A 43 8.156 1.594 -9.401 1.00 52.14 C ATOM 715 C GLN A 43 7.716 2.041 -10.807 1.00 24.41 C ATOM 716 O GLN A 43 8.152 3.090 -11.294 1.00 45.11 O ATOM 717 CB GLN A 43 9.345 0.602 -9.489 1.00 23.44 C ATOM 718 CG GLN A 43 9.941 0.234 -8.125 1.00 35.44 C ATOM 719 CD GLN A 43 11.093 -0.769 -8.208 1.00 23.42 C ATOM 720 OE1 GLN A 43 12.256 -0.387 -8.345 1.00 1.15 O ATOM 721 NE2 GLN A 43 10.783 -2.054 -8.115 1.00 55.35 N ATOM 0 H GLN A 43 7.170 -0.022 -8.483 1.00 41.02 H new ATOM 0 HA GLN A 43 8.476 2.483 -8.858 1.00 52.14 H new ATOM 0 HB2 GLN A 43 9.012 -0.308 -9.988 1.00 23.44 H new ATOM 0 HB3 GLN A 43 10.126 1.039 -10.111 1.00 23.44 H new ATOM 0 HG2 GLN A 43 10.296 1.142 -7.637 1.00 35.44 H new ATOM 0 HG3 GLN A 43 9.154 -0.181 -7.495 1.00 35.44 H new ATOM 0 HE21 GLN A 43 9.810 -2.337 -8.002 1.00 55.35 H new ATOM 0 HE22 GLN A 43 11.518 -2.760 -8.156 1.00 55.35 H new ATOM 730 N LYS A 44 6.839 1.236 -11.442 1.00 11.11 N ATOM 731 CA LYS A 44 6.321 1.515 -12.799 1.00 1.55 C ATOM 732 C LYS A 44 5.293 2.653 -12.794 1.00 31.25 C ATOM 733 O LYS A 44 5.124 3.352 -13.803 1.00 35.33 O ATOM 734 CB LYS A 44 5.735 0.225 -13.434 1.00 35.13 C ATOM 735 CG LYS A 44 6.796 -0.878 -13.627 1.00 5.33 C ATOM 736 CD LYS A 44 7.985 -0.417 -14.516 1.00 4.02 C ATOM 737 CE LYS A 44 9.176 -1.394 -14.486 1.00 53.14 C ATOM 738 NZ LYS A 44 8.828 -2.743 -14.991 1.00 3.00 N ATOM 0 H LYS A 44 6.471 0.378 -11.031 1.00 11.11 H new ATOM 0 HA LYS A 44 7.158 1.848 -13.413 1.00 1.55 H new ATOM 0 HB2 LYS A 44 4.933 -0.155 -12.801 1.00 35.13 H new ATOM 0 HB3 LYS A 44 5.291 0.469 -14.399 1.00 35.13 H new ATOM 0 HG2 LYS A 44 7.175 -1.187 -12.653 1.00 5.33 H new ATOM 0 HG3 LYS A 44 6.327 -1.752 -14.079 1.00 5.33 H new ATOM 0 HD2 LYS A 44 7.640 -0.305 -15.544 1.00 4.02 H new ATOM 0 HD3 LYS A 44 8.320 0.565 -14.183 1.00 4.02 H new ATOM 0 HE2 LYS A 44 9.990 -0.986 -15.086 1.00 53.14 H new ATOM 0 HE3 LYS A 44 9.545 -1.478 -13.464 1.00 53.14 H new ATOM 0 HZ1 LYS A 44 9.666 -3.357 -14.947 1.00 3.00 H new ATOM 0 HZ2 LYS A 44 8.071 -3.149 -14.404 1.00 3.00 H new ATOM 0 HZ3 LYS A 44 8.502 -2.672 -15.976 1.00 3.00 H new ATOM 752 N LYS A 45 4.609 2.831 -11.653 1.00 70.04 N ATOM 753 CA LYS A 45 3.706 3.972 -11.431 1.00 54.55 C ATOM 754 C LYS A 45 4.515 5.233 -11.049 1.00 44.14 C ATOM 755 O LYS A 45 4.077 6.352 -11.317 1.00 2.43 O ATOM 756 CB LYS A 45 2.657 3.622 -10.318 1.00 65.32 C ATOM 757 CG LYS A 45 1.298 3.009 -10.767 1.00 15.50 C ATOM 758 CD LYS A 45 1.376 1.700 -11.605 1.00 71.25 C ATOM 759 CE LYS A 45 1.516 1.936 -13.124 1.00 0.32 C ATOM 760 NZ LYS A 45 1.400 0.676 -13.898 1.00 53.35 N ATOM 0 H LYS A 45 4.666 2.191 -10.861 1.00 70.04 H new ATOM 0 HA LYS A 45 3.169 4.182 -12.356 1.00 54.55 H new ATOM 0 HB2 LYS A 45 3.126 2.925 -9.624 1.00 65.32 H new ATOM 0 HB3 LYS A 45 2.445 4.534 -9.759 1.00 65.32 H new ATOM 0 HG2 LYS A 45 0.701 2.810 -9.877 1.00 15.50 H new ATOM 0 HG3 LYS A 45 0.761 3.757 -11.350 1.00 15.50 H new ATOM 0 HD2 LYS A 45 2.224 1.109 -11.260 1.00 71.25 H new ATOM 0 HD3 LYS A 45 0.479 1.108 -11.420 1.00 71.25 H new ATOM 0 HE2 LYS A 45 0.748 2.635 -13.454 1.00 0.32 H new ATOM 0 HE3 LYS A 45 2.480 2.400 -13.331 1.00 0.32 H new ATOM 0 HZ1 LYS A 45 2.082 0.687 -14.683 1.00 53.35 H new ATOM 0 HZ2 LYS A 45 1.601 -0.133 -13.276 1.00 53.35 H new ATOM 0 HZ3 LYS A 45 0.436 0.589 -14.278 1.00 53.35 H new ATOM 774 N GLY A 46 5.719 5.037 -10.479 1.00 53.12 N ATOM 775 CA GLY A 46 6.538 6.148 -9.980 1.00 72.23 C ATOM 776 C GLY A 46 5.976 6.725 -8.687 1.00 12.34 C ATOM 777 O GLY A 46 5.879 7.950 -8.516 1.00 41.12 O ATOM 0 H GLY A 46 6.143 4.118 -10.354 1.00 53.12 H new ATOM 0 HA2 GLY A 46 7.558 5.801 -9.811 1.00 72.23 H new ATOM 0 HA3 GLY A 46 6.589 6.931 -10.736 1.00 72.23 H new ATOM 781 N VAL A 47 5.608 5.815 -7.787 1.00 33.03 N ATOM 782 CA VAL A 47 4.952 6.121 -6.507 1.00 74.32 C ATOM 783 C VAL A 47 6.004 6.394 -5.433 1.00 40.34 C ATOM 784 O VAL A 47 7.070 5.772 -5.414 1.00 35.31 O ATOM 785 CB VAL A 47 4.006 4.935 -6.102 1.00 45.15 C ATOM 786 CG1 VAL A 47 3.552 4.977 -4.623 1.00 2.30 C ATOM 787 CG2 VAL A 47 2.785 4.895 -7.037 1.00 42.14 C ATOM 0 H VAL A 47 5.760 4.816 -7.927 1.00 33.03 H new ATOM 0 HA VAL A 47 4.343 7.019 -6.610 1.00 74.32 H new ATOM 0 HB VAL A 47 4.591 4.022 -6.211 1.00 45.15 H new ATOM 0 HG11 VAL A 47 2.902 4.127 -4.418 1.00 2.30 H new ATOM 0 HG12 VAL A 47 4.426 4.931 -3.973 1.00 2.30 H new ATOM 0 HG13 VAL A 47 3.009 5.903 -4.435 1.00 2.30 H new ATOM 0 HG21 VAL A 47 2.134 4.070 -6.750 1.00 42.14 H new ATOM 0 HG22 VAL A 47 2.237 5.834 -6.960 1.00 42.14 H new ATOM 0 HG23 VAL A 47 3.118 4.753 -8.065 1.00 42.14 H new ATOM 797 N GLN A 48 5.681 7.337 -4.539 1.00 74.34 N ATOM 798 CA GLN A 48 6.618 7.855 -3.537 1.00 32.12 C ATOM 799 C GLN A 48 6.185 7.454 -2.120 1.00 72.41 C ATOM 800 O GLN A 48 7.029 7.190 -1.267 1.00 21.33 O ATOM 801 CB GLN A 48 6.726 9.392 -3.679 1.00 60.31 C ATOM 802 CG GLN A 48 7.061 9.866 -5.117 1.00 62.10 C ATOM 803 CD GLN A 48 8.361 9.277 -5.693 1.00 51.30 C ATOM 804 OE1 GLN A 48 9.321 9.007 -4.971 1.00 51.10 O ATOM 805 NE2 GLN A 48 8.389 9.053 -7.002 1.00 20.20 N ATOM 0 H GLN A 48 4.756 7.764 -4.491 1.00 74.34 H new ATOM 0 HA GLN A 48 7.602 7.417 -3.708 1.00 32.12 H new ATOM 0 HB2 GLN A 48 5.784 9.843 -3.368 1.00 60.31 H new ATOM 0 HB3 GLN A 48 7.495 9.757 -2.998 1.00 60.31 H new ATOM 0 HG2 GLN A 48 6.234 9.602 -5.776 1.00 62.10 H new ATOM 0 HG3 GLN A 48 7.136 10.953 -5.120 1.00 62.10 H new ATOM 0 HE21 GLN A 48 7.579 9.286 -7.577 1.00 20.20 H new ATOM 0 HE22 GLN A 48 9.220 8.648 -7.432 1.00 20.20 H new ATOM 814 N LYS A 49 4.862 7.420 -1.877 1.00 42.34 N ATOM 815 CA LYS A 49 4.292 7.004 -0.575 1.00 64.40 C ATOM 816 C LYS A 49 3.486 5.720 -0.738 1.00 11.21 C ATOM 817 O LYS A 49 2.669 5.613 -1.655 1.00 13.42 O ATOM 818 CB LYS A 49 3.364 8.110 -0.010 1.00 33.04 C ATOM 819 CG LYS A 49 4.070 9.428 0.341 1.00 14.43 C ATOM 820 CD LYS A 49 3.101 10.466 0.953 1.00 73.22 C ATOM 821 CE LYS A 49 3.823 11.734 1.422 1.00 12.22 C ATOM 822 NZ LYS A 49 4.529 12.429 0.311 1.00 35.13 N ATOM 0 H LYS A 49 4.159 7.678 -2.570 1.00 42.34 H new ATOM 0 HA LYS A 49 5.118 6.835 0.116 1.00 64.40 H new ATOM 0 HB2 LYS A 49 2.582 8.317 -0.741 1.00 33.04 H new ATOM 0 HB3 LYS A 49 2.871 7.729 0.885 1.00 33.04 H new ATOM 0 HG2 LYS A 49 4.878 9.229 1.045 1.00 14.43 H new ATOM 0 HG3 LYS A 49 4.525 9.844 -0.557 1.00 14.43 H new ATOM 0 HD2 LYS A 49 2.346 10.734 0.214 1.00 73.22 H new ATOM 0 HD3 LYS A 49 2.577 10.017 1.796 1.00 73.22 H new ATOM 0 HE2 LYS A 49 3.100 12.415 1.872 1.00 12.22 H new ATOM 0 HE3 LYS A 49 4.542 11.473 2.199 1.00 12.22 H new ATOM 0 HZ1 LYS A 49 4.959 13.306 0.668 1.00 35.13 H new ATOM 0 HZ2 LYS A 49 5.272 11.809 -0.070 1.00 35.13 H new ATOM 0 HZ3 LYS A 49 3.850 12.658 -0.443 1.00 35.13 H new ATOM 836 N VAL A 50 3.718 4.746 0.157 1.00 1.32 N ATOM 837 CA VAL A 50 2.943 3.494 0.209 1.00 53.44 C ATOM 838 C VAL A 50 2.420 3.258 1.636 1.00 40.21 C ATOM 839 O VAL A 50 3.187 3.254 2.608 1.00 65.20 O ATOM 840 CB VAL A 50 3.781 2.261 -0.298 1.00 73.15 C ATOM 841 CG1 VAL A 50 3.047 0.920 -0.058 1.00 32.34 C ATOM 842 CG2 VAL A 50 4.123 2.422 -1.798 1.00 11.15 C ATOM 0 H VAL A 50 4.449 4.804 0.866 1.00 1.32 H new ATOM 0 HA VAL A 50 2.093 3.597 -0.466 1.00 53.44 H new ATOM 0 HB VAL A 50 4.704 2.237 0.281 1.00 73.15 H new ATOM 0 HG11 VAL A 50 3.662 0.098 -0.423 1.00 32.34 H new ATOM 0 HG12 VAL A 50 2.865 0.791 1.009 1.00 32.34 H new ATOM 0 HG13 VAL A 50 2.096 0.926 -0.590 1.00 32.34 H new ATOM 0 HG21 VAL A 50 4.702 1.562 -2.133 1.00 11.15 H new ATOM 0 HG22 VAL A 50 3.201 2.487 -2.376 1.00 11.15 H new ATOM 0 HG23 VAL A 50 4.707 3.331 -1.943 1.00 11.15 H new ATOM 852 N VAL A 51 1.094 3.093 1.732 1.00 53.42 N ATOM 853 CA VAL A 51 0.384 2.755 2.957 1.00 62.31 C ATOM 854 C VAL A 51 0.298 1.217 3.105 1.00 44.52 C ATOM 855 O VAL A 51 -0.398 0.544 2.348 1.00 22.23 O ATOM 856 CB VAL A 51 -1.049 3.398 2.954 1.00 15.34 C ATOM 857 CG1 VAL A 51 -1.935 2.810 4.058 1.00 73.21 C ATOM 858 CG2 VAL A 51 -0.973 4.934 3.090 1.00 63.03 C ATOM 0 H VAL A 51 0.473 3.196 0.930 1.00 53.42 H new ATOM 0 HA VAL A 51 0.932 3.157 3.810 1.00 62.31 H new ATOM 0 HB VAL A 51 -1.504 3.158 1.993 1.00 15.34 H new ATOM 0 HG11 VAL A 51 -2.918 3.279 4.024 1.00 73.21 H new ATOM 0 HG12 VAL A 51 -2.040 1.736 3.906 1.00 73.21 H new ATOM 0 HG13 VAL A 51 -1.477 2.996 5.030 1.00 73.21 H new ATOM 0 HG21 VAL A 51 -1.980 5.350 3.085 1.00 63.03 H new ATOM 0 HG22 VAL A 51 -0.479 5.192 4.026 1.00 63.03 H new ATOM 0 HG23 VAL A 51 -0.406 5.346 2.255 1.00 63.03 H new ATOM 868 N LEU A 52 1.034 0.694 4.075 1.00 53.24 N ATOM 869 CA LEU A 52 1.086 -0.730 4.408 1.00 33.15 C ATOM 870 C LEU A 52 0.078 -1.036 5.543 1.00 1.02 C ATOM 871 O LEU A 52 0.321 -0.705 6.710 1.00 74.41 O ATOM 872 CB LEU A 52 2.544 -1.054 4.819 1.00 55.04 C ATOM 873 CG LEU A 52 3.622 -0.807 3.704 1.00 10.12 C ATOM 874 CD1 LEU A 52 5.041 -0.709 4.289 1.00 73.43 C ATOM 875 CD2 LEU A 52 3.550 -1.895 2.608 1.00 1.22 C ATOM 0 H LEU A 52 1.632 1.264 4.673 1.00 53.24 H new ATOM 0 HA LEU A 52 0.805 -1.354 3.559 1.00 33.15 H new ATOM 0 HB2 LEU A 52 2.801 -0.452 5.691 1.00 55.04 H new ATOM 0 HB3 LEU A 52 2.595 -2.099 5.126 1.00 55.04 H new ATOM 0 HG LEU A 52 3.393 0.154 3.244 1.00 10.12 H new ATOM 0 HD11 LEU A 52 5.755 -0.538 3.484 1.00 73.43 H new ATOM 0 HD12 LEU A 52 5.087 0.119 4.996 1.00 73.43 H new ATOM 0 HD13 LEU A 52 5.288 -1.638 4.802 1.00 73.43 H new ATOM 0 HD21 LEU A 52 4.308 -1.698 1.850 1.00 1.22 H new ATOM 0 HD22 LEU A 52 3.729 -2.873 3.054 1.00 1.22 H new ATOM 0 HD23 LEU A 52 2.563 -1.882 2.146 1.00 1.22 H new ATOM 887 N VAL A 53 -1.086 -1.610 5.169 1.00 52.53 N ATOM 888 CA VAL A 53 -2.168 -1.976 6.113 1.00 14.41 C ATOM 889 C VAL A 53 -2.198 -3.500 6.328 1.00 43.34 C ATOM 890 O VAL A 53 -2.353 -4.265 5.363 1.00 71.12 O ATOM 891 CB VAL A 53 -3.587 -1.511 5.596 1.00 33.25 C ATOM 892 CG1 VAL A 53 -4.705 -1.826 6.625 1.00 24.05 C ATOM 893 CG2 VAL A 53 -3.595 -0.014 5.231 1.00 34.14 C ATOM 0 H VAL A 53 -1.304 -1.834 4.198 1.00 52.53 H new ATOM 0 HA VAL A 53 -1.955 -1.465 7.052 1.00 14.41 H new ATOM 0 HB VAL A 53 -3.794 -2.081 4.690 1.00 33.25 H new ATOM 0 HG11 VAL A 53 -5.665 -1.491 6.233 1.00 24.05 H new ATOM 0 HG12 VAL A 53 -4.741 -2.900 6.805 1.00 24.05 H new ATOM 0 HG13 VAL A 53 -4.495 -1.308 7.561 1.00 24.05 H new ATOM 0 HG21 VAL A 53 -4.587 0.270 4.880 1.00 34.14 H new ATOM 0 HG22 VAL A 53 -3.339 0.576 6.111 1.00 34.14 H new ATOM 0 HG23 VAL A 53 -2.864 0.173 4.444 1.00 34.14 H new ATOM 903 N GLY A 54 -2.055 -3.914 7.605 1.00 24.24 N ATOM 904 CA GLY A 54 -2.187 -5.316 8.013 1.00 24.32 C ATOM 905 C GLY A 54 -1.157 -6.247 7.382 1.00 12.00 C ATOM 906 O GLY A 54 -1.432 -7.434 7.185 1.00 15.13 O ATOM 0 H GLY A 54 -1.845 -3.281 8.377 1.00 24.24 H new ATOM 0 HA2 GLY A 54 -2.100 -5.377 9.098 1.00 24.32 H new ATOM 0 HA3 GLY A 54 -3.186 -5.667 7.753 1.00 24.32 H new ATOM 910 N VAL A 55 0.033 -5.712 7.081 1.00 2.13 N ATOM 911 CA VAL A 55 1.097 -6.465 6.385 1.00 72.32 C ATOM 912 C VAL A 55 2.055 -7.116 7.392 1.00 25.22 C ATOM 913 O VAL A 55 1.974 -6.872 8.608 1.00 62.42 O ATOM 914 CB VAL A 55 1.906 -5.537 5.394 1.00 63.22 C ATOM 915 CG1 VAL A 55 0.973 -4.896 4.333 1.00 64.20 C ATOM 916 CG2 VAL A 55 2.712 -4.459 6.163 1.00 63.53 C ATOM 0 H VAL A 55 0.289 -4.751 7.309 1.00 2.13 H new ATOM 0 HA VAL A 55 0.612 -7.249 5.802 1.00 72.32 H new ATOM 0 HB VAL A 55 2.622 -6.166 4.864 1.00 63.22 H new ATOM 0 HG11 VAL A 55 1.560 -4.264 3.667 1.00 64.20 H new ATOM 0 HG12 VAL A 55 0.487 -5.681 3.754 1.00 64.20 H new ATOM 0 HG13 VAL A 55 0.215 -4.292 4.832 1.00 64.20 H new ATOM 0 HG21 VAL A 55 3.257 -3.837 5.453 1.00 63.53 H new ATOM 0 HG22 VAL A 55 2.028 -3.837 6.740 1.00 63.53 H new ATOM 0 HG23 VAL A 55 3.418 -4.944 6.837 1.00 63.53 H new ATOM 926 N SER A 56 2.951 -7.959 6.877 1.00 40.24 N ATOM 927 CA SER A 56 4.082 -8.476 7.642 1.00 62.13 C ATOM 928 C SER A 56 5.167 -7.389 7.741 1.00 1.13 C ATOM 929 O SER A 56 5.342 -6.600 6.801 1.00 32.40 O ATOM 930 CB SER A 56 4.648 -9.749 6.970 1.00 42.23 C ATOM 931 OG SER A 56 5.761 -10.266 7.687 1.00 54.35 O ATOM 0 H SER A 56 2.911 -8.302 5.917 1.00 40.24 H new ATOM 0 HA SER A 56 3.750 -8.742 8.645 1.00 62.13 H new ATOM 0 HB2 SER A 56 3.868 -10.508 6.911 1.00 42.23 H new ATOM 0 HB3 SER A 56 4.948 -9.519 5.947 1.00 42.23 H new ATOM 0 HG SER A 56 6.094 -11.071 7.238 1.00 54.35 H new ATOM 937 N GLU A 57 5.882 -7.365 8.876 1.00 24.24 N ATOM 938 CA GLU A 57 7.043 -6.479 9.098 1.00 50.01 C ATOM 939 C GLU A 57 8.181 -6.811 8.103 1.00 30.24 C ATOM 940 O GLU A 57 8.993 -5.946 7.760 1.00 63.23 O ATOM 941 CB GLU A 57 7.526 -6.620 10.560 1.00 1.14 C ATOM 942 CG GLU A 57 7.992 -8.041 10.931 1.00 2.32 C ATOM 943 CD GLU A 57 8.385 -8.178 12.405 1.00 24.35 C ATOM 944 OE1 GLU A 57 9.493 -7.738 12.776 1.00 33.21 O ATOM 945 OE2 GLU A 57 7.578 -8.699 13.208 1.00 33.12 O ATOM 0 H GLU A 57 5.672 -7.964 9.675 1.00 24.24 H new ATOM 0 HA GLU A 57 6.744 -5.445 8.924 1.00 50.01 H new ATOM 0 HB2 GLU A 57 8.347 -5.923 10.729 1.00 1.14 H new ATOM 0 HB3 GLU A 57 6.717 -6.328 11.229 1.00 1.14 H new ATOM 0 HG2 GLU A 57 7.194 -8.749 10.706 1.00 2.32 H new ATOM 0 HG3 GLU A 57 8.844 -8.312 10.307 1.00 2.32 H new ATOM 952 N LYS A 58 8.199 -8.081 7.645 1.00 12.13 N ATOM 953 CA LYS A 58 9.117 -8.575 6.617 1.00 5.11 C ATOM 954 C LYS A 58 8.853 -7.858 5.278 1.00 24.02 C ATOM 955 O LYS A 58 9.785 -7.383 4.624 1.00 42.15 O ATOM 956 CB LYS A 58 8.942 -10.111 6.471 1.00 12.21 C ATOM 957 CG LYS A 58 9.858 -10.783 5.426 1.00 50.34 C ATOM 958 CD LYS A 58 11.362 -10.610 5.746 1.00 30.52 C ATOM 959 CE LYS A 58 12.262 -11.331 4.732 1.00 44.45 C ATOM 960 NZ LYS A 58 12.077 -12.807 4.767 1.00 34.33 N ATOM 0 H LYS A 58 7.561 -8.798 7.991 1.00 12.13 H new ATOM 0 HA LYS A 58 10.145 -8.364 6.911 1.00 5.11 H new ATOM 0 HB2 LYS A 58 9.124 -10.575 7.441 1.00 12.21 H new ATOM 0 HB3 LYS A 58 7.905 -10.319 6.208 1.00 12.21 H new ATOM 0 HG2 LYS A 58 9.623 -11.846 5.373 1.00 50.34 H new ATOM 0 HG3 LYS A 58 9.650 -10.361 4.443 1.00 50.34 H new ATOM 0 HD2 LYS A 58 11.609 -9.548 5.757 1.00 30.52 H new ATOM 0 HD3 LYS A 58 11.565 -10.994 6.746 1.00 30.52 H new ATOM 0 HE2 LYS A 58 12.044 -10.963 3.729 1.00 44.45 H new ATOM 0 HE3 LYS A 58 13.305 -11.092 4.940 1.00 44.45 H new ATOM 0 HZ1 LYS A 58 12.806 -13.262 4.181 1.00 34.33 H new ATOM 0 HZ2 LYS A 58 12.160 -13.144 5.747 1.00 34.33 H new ATOM 0 HZ3 LYS A 58 11.135 -13.048 4.397 1.00 34.33 H new ATOM 974 N LEU A 59 7.560 -7.762 4.912 1.00 35.33 N ATOM 975 CA LEU A 59 7.113 -7.119 3.661 1.00 42.54 C ATOM 976 C LEU A 59 7.148 -5.588 3.784 1.00 11.01 C ATOM 977 O LEU A 59 7.291 -4.891 2.782 1.00 74.31 O ATOM 978 CB LEU A 59 5.692 -7.607 3.275 1.00 14.34 C ATOM 979 CG LEU A 59 5.559 -9.129 2.936 1.00 41.43 C ATOM 980 CD1 LEU A 59 4.114 -9.483 2.521 1.00 41.12 C ATOM 981 CD2 LEU A 59 6.582 -9.546 1.850 1.00 44.23 C ATOM 0 H LEU A 59 6.794 -8.129 5.477 1.00 35.33 H new ATOM 0 HA LEU A 59 7.803 -7.407 2.868 1.00 42.54 H new ATOM 0 HB2 LEU A 59 5.015 -7.378 4.097 1.00 14.34 H new ATOM 0 HB3 LEU A 59 5.353 -7.032 2.413 1.00 14.34 H new ATOM 0 HG LEU A 59 5.787 -9.697 3.838 1.00 41.43 H new ATOM 0 HD11 LEU A 59 4.052 -10.547 2.291 1.00 41.12 H new ATOM 0 HD12 LEU A 59 3.433 -9.248 3.339 1.00 41.12 H new ATOM 0 HD13 LEU A 59 3.837 -8.905 1.640 1.00 41.12 H new ATOM 0 HD21 LEU A 59 6.469 -10.608 1.632 1.00 44.23 H new ATOM 0 HD22 LEU A 59 6.405 -8.969 0.943 1.00 44.23 H new ATOM 0 HD23 LEU A 59 7.593 -9.355 2.210 1.00 44.23 H new ATOM 993 N LEU A 60 7.021 -5.083 5.023 1.00 52.31 N ATOM 994 CA LEU A 60 7.126 -3.646 5.324 1.00 25.22 C ATOM 995 C LEU A 60 8.500 -3.121 4.873 1.00 32.25 C ATOM 996 O LEU A 60 8.589 -2.154 4.107 1.00 55.41 O ATOM 997 CB LEU A 60 6.865 -3.406 6.850 1.00 63.21 C ATOM 998 CG LEU A 60 6.961 -1.926 7.394 1.00 60.15 C ATOM 999 CD1 LEU A 60 5.988 -1.690 8.571 1.00 70.01 C ATOM 1000 CD2 LEU A 60 8.408 -1.552 7.829 1.00 3.02 C ATOM 0 H LEU A 60 6.842 -5.661 5.844 1.00 52.31 H new ATOM 0 HA LEU A 60 6.368 -3.089 4.773 1.00 25.22 H new ATOM 0 HB2 LEU A 60 5.869 -3.783 7.082 1.00 63.21 H new ATOM 0 HB3 LEU A 60 7.575 -4.015 7.410 1.00 63.21 H new ATOM 0 HG LEU A 60 6.676 -1.279 6.565 1.00 60.15 H new ATOM 0 HD11 LEU A 60 6.081 -0.661 8.920 1.00 70.01 H new ATOM 0 HD12 LEU A 60 4.965 -1.869 8.239 1.00 70.01 H new ATOM 0 HD13 LEU A 60 6.230 -2.373 9.386 1.00 70.01 H new ATOM 0 HD21 LEU A 60 8.424 -0.526 8.196 1.00 3.02 H new ATOM 0 HD22 LEU A 60 8.735 -2.225 8.621 1.00 3.02 H new ATOM 0 HD23 LEU A 60 9.080 -1.643 6.975 1.00 3.02 H new ATOM 1012 N GLN A 61 9.555 -3.814 5.337 1.00 24.22 N ATOM 1013 CA GLN A 61 10.951 -3.472 5.024 1.00 10.45 C ATOM 1014 C GLN A 61 11.289 -3.812 3.558 1.00 24.52 C ATOM 1015 O GLN A 61 11.928 -3.018 2.873 1.00 22.45 O ATOM 1016 CB GLN A 61 11.907 -4.210 5.994 1.00 24.15 C ATOM 1017 CG GLN A 61 11.616 -3.927 7.486 1.00 41.42 C ATOM 1018 CD GLN A 61 12.496 -4.720 8.457 1.00 30.21 C ATOM 1019 OE1 GLN A 61 13.653 -5.026 8.165 1.00 24.50 O ATOM 1020 NE2 GLN A 61 11.950 -5.077 9.616 1.00 34.23 N ATOM 0 H GLN A 61 9.461 -4.630 5.942 1.00 24.22 H new ATOM 0 HA GLN A 61 11.081 -2.398 5.153 1.00 10.45 H new ATOM 0 HB2 GLN A 61 11.835 -5.283 5.816 1.00 24.15 H new ATOM 0 HB3 GLN A 61 12.933 -3.918 5.771 1.00 24.15 H new ATOM 0 HG2 GLN A 61 11.752 -2.862 7.676 1.00 41.42 H new ATOM 0 HG3 GLN A 61 10.570 -4.156 7.691 1.00 41.42 H new ATOM 0 HE21 GLN A 61 10.989 -4.810 9.831 1.00 34.23 H new ATOM 0 HE22 GLN A 61 12.492 -5.618 10.290 1.00 34.23 H new ATOM 1029 N LYS A 62 10.823 -4.985 3.091 1.00 33.30 N ATOM 1030 CA LYS A 62 11.123 -5.497 1.734 1.00 42.15 C ATOM 1031 C LYS A 62 10.658 -4.523 0.625 1.00 20.53 C ATOM 1032 O LYS A 62 11.456 -4.120 -0.241 1.00 43.45 O ATOM 1033 CB LYS A 62 10.468 -6.888 1.532 1.00 44.14 C ATOM 1034 CG LYS A 62 10.700 -7.508 0.141 1.00 61.23 C ATOM 1035 CD LYS A 62 10.047 -8.900 -0.002 1.00 61.24 C ATOM 1036 CE LYS A 62 10.272 -9.514 -1.389 1.00 72.21 C ATOM 1037 NZ LYS A 62 9.752 -10.900 -1.479 1.00 15.41 N ATOM 0 H LYS A 62 10.229 -5.606 3.640 1.00 33.30 H new ATOM 0 HA LYS A 62 12.206 -5.588 1.653 1.00 42.15 H new ATOM 0 HB2 LYS A 62 10.854 -7.571 2.289 1.00 44.14 H new ATOM 0 HB3 LYS A 62 9.395 -6.798 1.701 1.00 44.14 H new ATOM 0 HG2 LYS A 62 10.298 -6.841 -0.622 1.00 61.23 H new ATOM 0 HG3 LYS A 62 11.771 -7.592 -0.042 1.00 61.23 H new ATOM 0 HD2 LYS A 62 10.453 -9.568 0.758 1.00 61.24 H new ATOM 0 HD3 LYS A 62 8.977 -8.817 0.186 1.00 61.24 H new ATOM 0 HE2 LYS A 62 9.784 -8.895 -2.142 1.00 72.21 H new ATOM 0 HE3 LYS A 62 11.338 -9.512 -1.617 1.00 72.21 H new ATOM 0 HZ1 LYS A 62 10.044 -11.322 -2.383 1.00 15.41 H new ATOM 0 HZ2 LYS A 62 10.133 -11.465 -0.694 1.00 15.41 H new ATOM 0 HZ3 LYS A 62 8.714 -10.886 -1.423 1.00 15.41 H new ATOM 1051 N ILE A 63 9.362 -4.150 0.686 1.00 32.21 N ATOM 1052 CA ILE A 63 8.727 -3.248 -0.288 1.00 74.41 C ATOM 1053 C ILE A 63 9.425 -1.864 -0.282 1.00 32.10 C ATOM 1054 O ILE A 63 9.784 -1.364 -1.341 1.00 34.22 O ATOM 1055 CB ILE A 63 7.149 -3.133 -0.040 1.00 51.42 C ATOM 1056 CG1 ILE A 63 6.356 -4.320 -0.706 1.00 34.14 C ATOM 1057 CG2 ILE A 63 6.559 -1.782 -0.518 1.00 43.51 C ATOM 1058 CD1 ILE A 63 6.736 -5.726 -0.258 1.00 41.34 C ATOM 0 H ILE A 63 8.727 -4.470 1.417 1.00 32.21 H new ATOM 0 HA ILE A 63 8.853 -3.675 -1.283 1.00 74.41 H new ATOM 0 HB ILE A 63 7.025 -3.190 1.041 1.00 51.42 H new ATOM 0 HG12 ILE A 63 5.294 -4.174 -0.509 1.00 34.14 H new ATOM 0 HG13 ILE A 63 6.491 -4.258 -1.786 1.00 34.14 H new ATOM 0 HG21 ILE A 63 5.487 -1.764 -0.323 1.00 43.51 H new ATOM 0 HG22 ILE A 63 7.039 -0.965 0.020 1.00 43.51 H new ATOM 0 HG23 ILE A 63 6.736 -1.666 -1.587 1.00 43.51 H new ATOM 0 HD11 ILE A 63 6.121 -6.455 -0.787 1.00 41.34 H new ATOM 0 HD12 ILE A 63 7.787 -5.907 -0.482 1.00 41.34 H new ATOM 0 HD13 ILE A 63 6.571 -5.823 0.815 1.00 41.34 H new ATOM 1070 N LYS A 64 9.678 -1.287 0.911 1.00 23.11 N ATOM 1071 CA LYS A 64 10.227 0.087 1.008 1.00 44.34 C ATOM 1072 C LYS A 64 11.682 0.169 0.492 1.00 73.33 C ATOM 1073 O LYS A 64 12.097 1.216 -0.007 1.00 43.54 O ATOM 1074 CB LYS A 64 10.076 0.649 2.456 1.00 2.33 C ATOM 1075 CG LYS A 64 10.943 -0.006 3.568 1.00 71.13 C ATOM 1076 CD LYS A 64 12.351 0.628 3.726 1.00 64.32 C ATOM 1077 CE LYS A 64 13.198 -0.055 4.806 1.00 25.23 C ATOM 1078 NZ LYS A 64 14.584 0.492 4.864 1.00 71.44 N ATOM 0 H LYS A 64 9.515 -1.741 1.810 1.00 23.11 H new ATOM 0 HA LYS A 64 9.637 0.726 0.350 1.00 44.34 H new ATOM 0 HB2 LYS A 64 10.308 1.714 2.431 1.00 2.33 H new ATOM 0 HB3 LYS A 64 9.029 0.557 2.746 1.00 2.33 H new ATOM 0 HG2 LYS A 64 10.414 0.068 4.518 1.00 71.13 H new ATOM 0 HG3 LYS A 64 11.056 -1.068 3.348 1.00 71.13 H new ATOM 0 HD2 LYS A 64 12.876 0.575 2.772 1.00 64.32 H new ATOM 0 HD3 LYS A 64 12.242 1.684 3.971 1.00 64.32 H new ATOM 0 HE2 LYS A 64 12.718 0.072 5.776 1.00 25.23 H new ATOM 0 HE3 LYS A 64 13.240 -1.126 4.609 1.00 25.23 H new ATOM 0 HZ1 LYS A 64 15.120 0.001 5.608 1.00 71.44 H new ATOM 0 HZ2 LYS A 64 15.053 0.348 3.947 1.00 71.44 H new ATOM 0 HZ3 LYS A 64 14.547 1.509 5.078 1.00 71.44 H new ATOM 1092 N GLN A 65 12.444 -0.942 0.625 1.00 23.21 N ATOM 1093 CA GLN A 65 13.836 -1.015 0.128 1.00 51.43 C ATOM 1094 C GLN A 65 13.864 -1.035 -1.410 1.00 72.32 C ATOM 1095 O GLN A 65 14.431 -0.143 -2.042 1.00 50.32 O ATOM 1096 CB GLN A 65 14.568 -2.268 0.689 1.00 42.52 C ATOM 1097 CG GLN A 65 14.832 -2.228 2.202 1.00 42.33 C ATOM 1098 CD GLN A 65 15.481 -3.506 2.737 1.00 21.03 C ATOM 1099 OE1 GLN A 65 16.705 -3.616 2.805 1.00 30.40 O ATOM 1100 NE2 GLN A 65 14.667 -4.491 3.087 1.00 62.35 N ATOM 0 H GLN A 65 12.117 -1.799 1.072 1.00 23.21 H new ATOM 0 HA GLN A 65 14.359 -0.125 0.479 1.00 51.43 H new ATOM 0 HB2 GLN A 65 13.974 -3.153 0.460 1.00 42.52 H new ATOM 0 HB3 GLN A 65 15.520 -2.380 0.170 1.00 42.52 H new ATOM 0 HG2 GLN A 65 15.477 -1.379 2.429 1.00 42.33 H new ATOM 0 HG3 GLN A 65 13.890 -2.061 2.724 1.00 42.33 H new ATOM 0 HE21 GLN A 65 13.657 -4.367 3.018 1.00 62.35 H new ATOM 0 HE22 GLN A 65 15.050 -5.374 3.425 1.00 62.35 H new ATOM 1109 N GLU A 66 13.207 -2.056 -1.991 1.00 51.41 N ATOM 1110 CA GLU A 66 13.318 -2.375 -3.427 1.00 3.50 C ATOM 1111 C GLU A 66 12.425 -1.467 -4.298 1.00 71.24 C ATOM 1112 O GLU A 66 12.840 -1.043 -5.384 1.00 75.23 O ATOM 1113 CB GLU A 66 13.004 -3.873 -3.647 1.00 62.31 C ATOM 1114 CG GLU A 66 13.928 -4.819 -2.849 1.00 23.23 C ATOM 1115 CD GLU A 66 13.674 -6.303 -3.142 1.00 34.11 C ATOM 1116 OE1 GLU A 66 12.755 -6.889 -2.533 1.00 53.33 O ATOM 1117 OE2 GLU A 66 14.392 -6.891 -3.988 1.00 52.02 O ATOM 0 H GLU A 66 12.585 -2.682 -1.479 1.00 51.41 H new ATOM 0 HA GLU A 66 14.342 -2.179 -3.746 1.00 3.50 H new ATOM 0 HB2 GLU A 66 11.969 -4.065 -3.364 1.00 62.31 H new ATOM 0 HB3 GLU A 66 13.092 -4.102 -4.709 1.00 62.31 H new ATOM 0 HG2 GLU A 66 14.966 -4.582 -3.081 1.00 23.23 H new ATOM 0 HG3 GLU A 66 13.790 -4.637 -1.783 1.00 23.23 H new ATOM 1124 N ALA A 67 11.198 -1.179 -3.823 1.00 54.43 N ATOM 1125 CA ALA A 67 10.289 -0.223 -4.499 1.00 71.24 C ATOM 1126 C ALA A 67 10.737 1.233 -4.263 1.00 11.11 C ATOM 1127 O ALA A 67 10.355 2.128 -5.030 1.00 3.44 O ATOM 1128 CB ALA A 67 8.832 -0.430 -4.058 1.00 25.14 C ATOM 0 H ALA A 67 10.810 -1.592 -2.975 1.00 54.43 H new ATOM 0 HA ALA A 67 10.342 -0.420 -5.570 1.00 71.24 H new ATOM 0 HB1 ALA A 67 8.191 0.286 -4.572 1.00 25.14 H new ATOM 0 HB2 ALA A 67 8.517 -1.443 -4.308 1.00 25.14 H new ATOM 0 HB3 ALA A 67 8.753 -0.280 -2.981 1.00 25.14 H new ATOM 1134 N ASN A 68 11.544 1.446 -3.190 1.00 62.44 N ATOM 1135 CA ASN A 68 12.140 2.756 -2.834 1.00 14.43 C ATOM 1136 C ASN A 68 11.041 3.780 -2.515 1.00 62.45 C ATOM 1137 O ASN A 68 10.837 4.751 -3.255 1.00 43.03 O ATOM 1138 CB ASN A 68 13.120 3.277 -3.934 1.00 63.50 C ATOM 1139 CG ASN A 68 14.373 2.410 -4.094 1.00 73.40 C ATOM 1140 OD1 ASN A 68 15.397 2.654 -3.456 1.00 31.12 O ATOM 1141 ND2 ASN A 68 14.303 1.393 -4.938 1.00 21.32 N ATOM 0 H ASN A 68 11.800 0.702 -2.542 1.00 62.44 H new ATOM 0 HA ASN A 68 12.739 2.614 -1.935 1.00 14.43 H new ATOM 0 HB2 ASN A 68 12.594 3.321 -4.887 1.00 63.50 H new ATOM 0 HB3 ASN A 68 13.421 4.296 -3.689 1.00 63.50 H new ATOM 0 HD21 ASN A 68 15.112 0.786 -5.074 1.00 21.32 H new ATOM 0 HD22 ASN A 68 13.440 1.216 -5.453 1.00 21.32 H new ATOM 1148 N VAL A 69 10.307 3.526 -1.420 1.00 51.34 N ATOM 1149 CA VAL A 69 9.140 4.344 -1.014 1.00 22.45 C ATOM 1150 C VAL A 69 9.146 4.645 0.491 1.00 51.32 C ATOM 1151 O VAL A 69 9.871 4.009 1.268 1.00 72.11 O ATOM 1152 CB VAL A 69 7.783 3.641 -1.394 1.00 1.20 C ATOM 1153 CG1 VAL A 69 7.572 3.628 -2.917 1.00 42.51 C ATOM 1154 CG2 VAL A 69 7.707 2.205 -0.808 1.00 60.31 C ATOM 0 H VAL A 69 10.501 2.749 -0.788 1.00 51.34 H new ATOM 0 HA VAL A 69 9.222 5.284 -1.559 1.00 22.45 H new ATOM 0 HB VAL A 69 6.976 4.223 -0.950 1.00 1.20 H new ATOM 0 HG11 VAL A 69 6.627 3.136 -3.149 1.00 42.51 H new ATOM 0 HG12 VAL A 69 7.550 4.652 -3.290 1.00 42.51 H new ATOM 0 HG13 VAL A 69 8.389 3.086 -3.393 1.00 42.51 H new ATOM 0 HG21 VAL A 69 6.758 1.747 -1.088 1.00 60.31 H new ATOM 0 HG22 VAL A 69 8.529 1.607 -1.202 1.00 60.31 H new ATOM 0 HG23 VAL A 69 7.781 2.251 0.279 1.00 60.31 H new ATOM 1164 N GLN A 70 8.305 5.617 0.874 1.00 2.04 N ATOM 1165 CA GLN A 70 8.091 6.014 2.269 1.00 43.32 C ATOM 1166 C GLN A 70 7.202 4.974 2.969 1.00 43.13 C ATOM 1167 O GLN A 70 6.263 4.441 2.355 1.00 62.15 O ATOM 1168 CB GLN A 70 7.425 7.419 2.328 1.00 51.22 C ATOM 1169 CG GLN A 70 8.165 8.519 1.537 1.00 22.44 C ATOM 1170 CD GLN A 70 9.600 8.781 2.013 1.00 32.14 C ATOM 1171 OE1 GLN A 70 9.922 8.641 3.194 1.00 22.11 O ATOM 1172 NE2 GLN A 70 10.479 9.145 1.093 1.00 0.42 N ATOM 0 H GLN A 70 7.747 6.156 0.212 1.00 2.04 H new ATOM 0 HA GLN A 70 9.052 6.064 2.781 1.00 43.32 H new ATOM 0 HB2 GLN A 70 6.407 7.339 1.947 1.00 51.22 H new ATOM 0 HB3 GLN A 70 7.352 7.728 3.371 1.00 51.22 H new ATOM 0 HG2 GLN A 70 8.189 8.239 0.484 1.00 22.44 H new ATOM 0 HG3 GLN A 70 7.596 9.446 1.607 1.00 22.44 H new ATOM 0 HE21 GLN A 70 10.186 9.254 0.122 1.00 0.42 H new ATOM 0 HE22 GLN A 70 11.450 9.317 1.355 1.00 0.42 H new ATOM 1181 N VAL A 71 7.489 4.729 4.254 1.00 51.34 N ATOM 1182 CA VAL A 71 6.779 3.732 5.068 1.00 53.20 C ATOM 1183 C VAL A 71 5.660 4.421 5.844 1.00 31.01 C ATOM 1184 O VAL A 71 5.921 5.334 6.639 1.00 62.53 O ATOM 1185 CB VAL A 71 7.734 3.018 6.101 1.00 41.02 C ATOM 1186 CG1 VAL A 71 6.978 1.944 6.931 1.00 75.15 C ATOM 1187 CG2 VAL A 71 8.944 2.402 5.385 1.00 41.34 C ATOM 0 H VAL A 71 8.225 5.220 4.762 1.00 51.34 H new ATOM 0 HA VAL A 71 6.383 2.977 4.389 1.00 53.20 H new ATOM 0 HB VAL A 71 8.094 3.776 6.796 1.00 41.02 H new ATOM 0 HG11 VAL A 71 7.668 1.474 7.632 1.00 75.15 H new ATOM 0 HG12 VAL A 71 6.166 2.416 7.483 1.00 75.15 H new ATOM 0 HG13 VAL A 71 6.569 1.188 6.261 1.00 75.15 H new ATOM 0 HG21 VAL A 71 9.590 1.915 6.116 1.00 41.34 H new ATOM 0 HG22 VAL A 71 8.601 1.667 4.657 1.00 41.34 H new ATOM 0 HG23 VAL A 71 9.502 3.186 4.873 1.00 41.34 H new ATOM 1197 N TYR A 72 4.415 4.017 5.577 1.00 54.01 N ATOM 1198 CA TYR A 72 3.274 4.383 6.414 1.00 34.12 C ATOM 1199 C TYR A 72 2.590 3.102 6.871 1.00 23.35 C ATOM 1200 O TYR A 72 1.801 2.517 6.130 1.00 51.43 O ATOM 1201 CB TYR A 72 2.307 5.302 5.623 1.00 12.42 C ATOM 1202 CG TYR A 72 2.951 6.645 5.260 1.00 31.50 C ATOM 1203 CD1 TYR A 72 3.019 7.682 6.194 1.00 53.51 C ATOM 1204 CD2 TYR A 72 3.527 6.861 4.004 1.00 34.33 C ATOM 1205 CE1 TYR A 72 3.633 8.881 5.890 1.00 24.22 C ATOM 1206 CE2 TYR A 72 4.136 8.060 3.701 1.00 63.41 C ATOM 1207 CZ TYR A 72 4.188 9.064 4.641 1.00 5.53 C ATOM 1208 OH TYR A 72 4.799 10.265 4.330 1.00 24.02 O ATOM 0 H TYR A 72 4.173 3.430 4.779 1.00 54.01 H new ATOM 0 HA TYR A 72 3.601 4.942 7.290 1.00 34.12 H new ATOM 0 HB2 TYR A 72 1.991 4.795 4.712 1.00 12.42 H new ATOM 0 HB3 TYR A 72 1.410 5.480 6.217 1.00 12.42 H new ATOM 0 HD1 TYR A 72 2.583 7.543 7.172 1.00 53.51 H new ATOM 0 HD2 TYR A 72 3.494 6.078 3.261 1.00 34.33 H new ATOM 0 HE1 TYR A 72 3.678 9.670 6.626 1.00 24.22 H new ATOM 0 HE2 TYR A 72 4.573 8.212 2.725 1.00 63.41 H new ATOM 0 HH TYR A 72 5.515 10.109 3.679 1.00 24.02 H new ATOM 1218 N ARG A 73 2.906 2.666 8.101 1.00 71.12 N ATOM 1219 CA ARG A 73 2.240 1.525 8.711 1.00 63.41 C ATOM 1220 C ARG A 73 0.989 2.056 9.394 1.00 11.41 C ATOM 1221 O ARG A 73 1.066 2.747 10.416 1.00 61.50 O ATOM 1222 CB ARG A 73 3.148 0.774 9.721 1.00 63.45 C ATOM 1223 CG ARG A 73 2.413 -0.347 10.510 1.00 61.12 C ATOM 1224 CD ARG A 73 1.865 -1.480 9.608 1.00 30.14 C ATOM 1225 NE ARG A 73 0.798 -2.257 10.271 1.00 63.42 N ATOM 1226 CZ ARG A 73 0.702 -3.595 10.289 1.00 25.15 C ATOM 1227 NH1 ARG A 73 1.612 -4.357 9.693 1.00 55.05 N ATOM 1228 NH2 ARG A 73 -0.336 -4.162 10.878 1.00 2.12 N ATOM 0 H ARG A 73 3.623 3.094 8.687 1.00 71.12 H new ATOM 0 HA ARG A 73 1.991 0.792 7.943 1.00 63.41 H new ATOM 0 HB2 ARG A 73 3.989 0.336 9.184 1.00 63.45 H new ATOM 0 HB3 ARG A 73 3.561 1.493 10.429 1.00 63.45 H new ATOM 0 HG2 ARG A 73 3.099 -0.775 11.241 1.00 61.12 H new ATOM 0 HG3 ARG A 73 1.587 0.094 11.068 1.00 61.12 H new ATOM 0 HD2 ARG A 73 1.478 -1.051 8.684 1.00 30.14 H new ATOM 0 HD3 ARG A 73 2.681 -2.149 9.332 1.00 30.14 H new ATOM 0 HE ARG A 73 0.072 -1.731 10.757 1.00 63.42 H new ATOM 0 HH11 ARG A 73 2.401 -3.926 9.211 1.00 55.05 H new ATOM 0 HH12 ARG A 73 1.522 -5.373 9.718 1.00 55.05 H new ATOM 0 HH21 ARG A 73 -1.054 -3.583 11.313 1.00 2.12 H new ATOM 0 HH22 ARG A 73 -0.419 -5.178 10.897 1.00 2.12 H new ATOM 1242 N VAL A 74 -0.151 1.760 8.790 1.00 64.20 N ATOM 1243 CA VAL A 74 -1.451 2.153 9.306 1.00 70.21 C ATOM 1244 C VAL A 74 -2.009 0.997 10.125 1.00 60.11 C ATOM 1245 O VAL A 74 -2.029 -0.144 9.653 1.00 2.41 O ATOM 1246 CB VAL A 74 -2.392 2.506 8.108 1.00 0.25 C ATOM 1247 CG1 VAL A 74 -3.855 2.727 8.548 1.00 35.14 C ATOM 1248 CG2 VAL A 74 -1.836 3.743 7.358 1.00 23.41 C ATOM 0 H VAL A 74 -0.199 1.234 7.917 1.00 64.20 H new ATOM 0 HA VAL A 74 -1.371 3.033 9.944 1.00 70.21 H new ATOM 0 HB VAL A 74 -2.407 1.652 7.431 1.00 0.25 H new ATOM 0 HG11 VAL A 74 -4.464 2.969 7.677 1.00 35.14 H new ATOM 0 HG12 VAL A 74 -4.235 1.819 9.016 1.00 35.14 H new ATOM 0 HG13 VAL A 74 -3.900 3.549 9.262 1.00 35.14 H new ATOM 0 HG21 VAL A 74 -2.493 3.988 6.523 1.00 23.41 H new ATOM 0 HG22 VAL A 74 -1.786 4.591 8.041 1.00 23.41 H new ATOM 0 HG23 VAL A 74 -0.837 3.522 6.981 1.00 23.41 H new ATOM 1258 N THR A 75 -2.427 1.299 11.359 1.00 3.53 N ATOM 1259 CA THR A 75 -3.055 0.321 12.266 1.00 73.33 C ATOM 1260 C THR A 75 -4.402 0.879 12.804 1.00 70.12 C ATOM 1261 O THR A 75 -5.131 0.198 13.535 1.00 43.41 O ATOM 1262 CB THR A 75 -2.065 -0.059 13.426 1.00 43.43 C ATOM 1263 OG1 THR A 75 -0.721 -0.141 12.905 1.00 21.01 O ATOM 1264 CG2 THR A 75 -2.426 -1.412 14.059 1.00 41.44 C ATOM 0 H THR A 75 -2.341 2.232 11.762 1.00 3.53 H new ATOM 0 HA THR A 75 -3.277 -0.594 11.716 1.00 73.33 H new ATOM 0 HB THR A 75 -2.139 0.715 14.190 1.00 43.43 H new ATOM 0 HG1 THR A 75 -0.103 -0.376 13.629 1.00 21.01 H new ATOM 0 HG21 THR A 75 -1.719 -1.641 14.857 1.00 41.44 H new ATOM 0 HG22 THR A 75 -3.434 -1.364 14.470 1.00 41.44 H new ATOM 0 HG23 THR A 75 -2.381 -2.193 13.300 1.00 41.44 H new ATOM 1272 N SER A 76 -4.720 2.127 12.414 1.00 13.22 N ATOM 1273 CA SER A 76 -6.040 2.746 12.624 1.00 12.23 C ATOM 1274 C SER A 76 -6.444 3.504 11.351 1.00 33.13 C ATOM 1275 O SER A 76 -5.587 4.098 10.694 1.00 0.35 O ATOM 1276 CB SER A 76 -6.008 3.694 13.844 1.00 31.50 C ATOM 1277 OG SER A 76 -4.927 4.607 13.770 1.00 51.15 O ATOM 0 H SER A 76 -4.059 2.741 11.938 1.00 13.22 H new ATOM 0 HA SER A 76 -6.778 1.971 12.830 1.00 12.23 H new ATOM 0 HB2 SER A 76 -6.947 4.245 13.901 1.00 31.50 H new ATOM 0 HB3 SER A 76 -5.927 3.107 14.759 1.00 31.50 H new ATOM 0 HG SER A 76 -5.221 5.427 13.321 1.00 51.15 H new ATOM 1283 N ASN A 77 -7.757 3.498 11.049 1.00 14.41 N ATOM 1284 CA ASN A 77 -8.351 4.061 9.807 1.00 4.13 C ATOM 1285 C ASN A 77 -7.852 5.489 9.478 1.00 62.34 C ATOM 1286 O ASN A 77 -7.612 5.820 8.311 1.00 34.23 O ATOM 1287 CB ASN A 77 -9.908 4.077 9.921 1.00 43.40 C ATOM 1288 CG ASN A 77 -10.448 4.984 11.050 1.00 3.32 C ATOM 1289 OD1 ASN A 77 -9.843 5.108 12.116 1.00 51.01 O ATOM 1290 ND2 ASN A 77 -11.567 5.652 10.819 1.00 4.53 N ATOM 0 H ASN A 77 -8.456 3.094 11.672 1.00 14.41 H new ATOM 0 HA ASN A 77 -8.028 3.412 8.993 1.00 4.13 H new ATOM 0 HB2 ASN A 77 -10.328 4.408 8.971 1.00 43.40 H new ATOM 0 HB3 ASN A 77 -10.260 3.059 10.088 1.00 43.40 H new ATOM 0 HD21 ASN A 77 -11.941 6.281 11.529 1.00 4.53 H new ATOM 0 HD22 ASN A 77 -12.055 5.538 9.931 1.00 4.53 H new ATOM 1297 N ASP A 78 -7.656 6.293 10.542 1.00 63.33 N ATOM 1298 CA ASP A 78 -7.367 7.730 10.454 1.00 74.35 C ATOM 1299 C ASP A 78 -6.006 7.999 9.792 1.00 3.35 C ATOM 1300 O ASP A 78 -5.835 9.025 9.128 1.00 23.20 O ATOM 1301 CB ASP A 78 -7.433 8.361 11.874 1.00 42.25 C ATOM 1302 CG ASP A 78 -7.345 9.898 11.864 1.00 41.40 C ATOM 1303 OD1 ASP A 78 -8.364 10.553 11.549 1.00 43.14 O ATOM 1304 OD2 ASP A 78 -6.271 10.461 12.164 1.00 5.05 O ATOM 0 H ASP A 78 -7.696 5.951 11.502 1.00 63.33 H new ATOM 0 HA ASP A 78 -8.122 8.195 9.820 1.00 74.35 H new ATOM 0 HB2 ASP A 78 -8.364 8.061 12.354 1.00 42.25 H new ATOM 0 HB3 ASP A 78 -6.619 7.962 12.479 1.00 42.25 H new ATOM 1309 N GLU A 79 -5.055 7.057 9.947 1.00 13.23 N ATOM 1310 CA GLU A 79 -3.690 7.217 9.413 1.00 14.11 C ATOM 1311 C GLU A 79 -3.726 7.143 7.879 1.00 30.34 C ATOM 1312 O GLU A 79 -3.172 8.003 7.200 1.00 21.23 O ATOM 1313 CB GLU A 79 -2.719 6.138 9.976 1.00 11.45 C ATOM 1314 CG GLU A 79 -2.889 5.789 11.467 1.00 62.40 C ATOM 1315 CD GLU A 79 -2.994 7.014 12.387 1.00 11.14 C ATOM 1316 OE1 GLU A 79 -1.967 7.690 12.622 1.00 31.43 O ATOM 1317 OE2 GLU A 79 -4.104 7.320 12.866 1.00 65.45 O ATOM 0 H GLU A 79 -5.208 6.177 10.439 1.00 13.23 H new ATOM 0 HA GLU A 79 -3.317 8.191 9.728 1.00 14.11 H new ATOM 0 HB2 GLU A 79 -2.844 5.225 9.393 1.00 11.45 H new ATOM 0 HB3 GLU A 79 -1.696 6.480 9.818 1.00 11.45 H new ATOM 0 HG2 GLU A 79 -3.785 5.179 11.587 1.00 62.40 H new ATOM 0 HG3 GLU A 79 -2.043 5.179 11.786 1.00 62.40 H new ATOM 1324 N LEU A 80 -4.428 6.105 7.361 1.00 3.41 N ATOM 1325 CA LEU A 80 -4.650 5.897 5.913 1.00 11.11 C ATOM 1326 C LEU A 80 -5.312 7.151 5.320 1.00 72.54 C ATOM 1327 O LEU A 80 -4.785 7.750 4.378 1.00 65.24 O ATOM 1328 CB LEU A 80 -5.507 4.590 5.714 1.00 75.34 C ATOM 1329 CG LEU A 80 -6.056 4.211 4.278 1.00 44.44 C ATOM 1330 CD1 LEU A 80 -7.433 4.838 3.974 1.00 25.14 C ATOM 1331 CD2 LEU A 80 -5.048 4.546 3.157 1.00 14.35 C ATOM 0 H LEU A 80 -4.858 5.385 7.942 1.00 3.41 H new ATOM 0 HA LEU A 80 -3.710 5.752 5.381 1.00 11.11 H new ATOM 0 HB2 LEU A 80 -4.904 3.751 6.061 1.00 75.34 H new ATOM 0 HB3 LEU A 80 -6.367 4.662 6.380 1.00 75.34 H new ATOM 0 HG LEU A 80 -6.190 3.129 4.298 1.00 44.44 H new ATOM 0 HD11 LEU A 80 -7.755 4.541 2.976 1.00 25.14 H new ATOM 0 HD12 LEU A 80 -8.160 4.492 4.708 1.00 25.14 H new ATOM 0 HD13 LEU A 80 -7.357 5.924 4.023 1.00 25.14 H new ATOM 0 HD21 LEU A 80 -5.471 4.267 2.192 1.00 14.35 H new ATOM 0 HD22 LEU A 80 -4.837 5.615 3.165 1.00 14.35 H new ATOM 0 HD23 LEU A 80 -4.124 3.992 3.321 1.00 14.35 H new ATOM 1343 N GLU A 81 -6.422 7.559 5.952 1.00 50.10 N ATOM 1344 CA GLU A 81 -7.240 8.713 5.530 1.00 11.53 C ATOM 1345 C GLU A 81 -6.425 10.027 5.501 1.00 21.22 C ATOM 1346 O GLU A 81 -6.674 10.890 4.653 1.00 64.44 O ATOM 1347 CB GLU A 81 -8.457 8.839 6.479 1.00 65.11 C ATOM 1348 CG GLU A 81 -9.455 7.668 6.386 1.00 75.32 C ATOM 1349 CD GLU A 81 -10.591 7.735 7.417 1.00 34.12 C ATOM 1350 OE1 GLU A 81 -11.182 8.819 7.602 1.00 12.43 O ATOM 1351 OE2 GLU A 81 -10.932 6.693 8.016 1.00 11.13 O ATOM 0 H GLU A 81 -6.785 7.092 6.783 1.00 50.10 H new ATOM 0 HA GLU A 81 -7.582 8.540 4.510 1.00 11.53 H new ATOM 0 HB2 GLU A 81 -8.097 8.914 7.505 1.00 65.11 H new ATOM 0 HB3 GLU A 81 -8.982 9.768 6.257 1.00 65.11 H new ATOM 0 HG2 GLU A 81 -9.887 7.650 5.385 1.00 75.32 H new ATOM 0 HG3 GLU A 81 -8.914 6.731 6.517 1.00 75.32 H new ATOM 1358 N GLN A 82 -5.453 10.146 6.425 1.00 52.50 N ATOM 1359 CA GLN A 82 -4.589 11.333 6.541 1.00 11.13 C ATOM 1360 C GLN A 82 -3.549 11.379 5.402 1.00 72.41 C ATOM 1361 O GLN A 82 -3.311 12.444 4.820 1.00 32.31 O ATOM 1362 CB GLN A 82 -3.886 11.365 7.930 1.00 61.35 C ATOM 1363 CG GLN A 82 -3.056 12.642 8.201 1.00 2.32 C ATOM 1364 CD GLN A 82 -3.882 13.937 8.150 1.00 24.14 C ATOM 1365 OE1 GLN A 82 -5.061 13.958 8.509 1.00 25.45 O ATOM 1366 NE2 GLN A 82 -3.277 15.023 7.685 1.00 74.40 N ATOM 0 H GLN A 82 -5.246 9.421 7.112 1.00 52.50 H new ATOM 0 HA GLN A 82 -5.220 12.218 6.453 1.00 11.13 H new ATOM 0 HB2 GLN A 82 -4.643 11.267 8.708 1.00 61.35 H new ATOM 0 HB3 GLN A 82 -3.231 10.497 8.011 1.00 61.35 H new ATOM 0 HG2 GLN A 82 -2.587 12.559 9.181 1.00 2.32 H new ATOM 0 HG3 GLN A 82 -2.252 12.705 7.468 1.00 2.32 H new ATOM 0 HE21 GLN A 82 -2.300 14.978 7.395 1.00 74.40 H new ATOM 0 HE22 GLN A 82 -3.789 15.903 7.618 1.00 74.40 H new ATOM 1375 N VAL A 83 -2.951 10.211 5.086 1.00 44.21 N ATOM 1376 CA VAL A 83 -1.909 10.102 4.039 1.00 35.41 C ATOM 1377 C VAL A 83 -2.514 10.339 2.635 1.00 13.41 C ATOM 1378 O VAL A 83 -1.834 10.867 1.756 1.00 62.41 O ATOM 1379 CB VAL A 83 -1.159 8.713 4.097 1.00 42.32 C ATOM 1380 CG1 VAL A 83 -0.046 8.609 3.023 1.00 3.25 C ATOM 1381 CG2 VAL A 83 -0.562 8.456 5.500 1.00 73.32 C ATOM 0 H VAL A 83 -3.172 9.326 5.542 1.00 44.21 H new ATOM 0 HA VAL A 83 -1.171 10.880 4.234 1.00 35.41 H new ATOM 0 HB VAL A 83 -1.905 7.947 3.886 1.00 42.32 H new ATOM 0 HG11 VAL A 83 0.443 7.638 3.099 1.00 3.25 H new ATOM 0 HG12 VAL A 83 -0.486 8.717 2.032 1.00 3.25 H new ATOM 0 HG13 VAL A 83 0.688 9.399 3.182 1.00 3.25 H new ATOM 0 HG21 VAL A 83 -0.052 7.492 5.508 1.00 73.32 H new ATOM 0 HG22 VAL A 83 0.150 9.245 5.743 1.00 73.32 H new ATOM 0 HG23 VAL A 83 -1.362 8.449 6.240 1.00 73.32 H new ATOM 1391 N VAL A 84 -3.799 9.958 2.446 1.00 62.10 N ATOM 1392 CA VAL A 84 -4.535 10.214 1.182 1.00 44.34 C ATOM 1393 C VAL A 84 -4.669 11.736 0.934 1.00 21.11 C ATOM 1394 O VAL A 84 -4.558 12.211 -0.203 1.00 63.14 O ATOM 1395 CB VAL A 84 -5.964 9.544 1.173 1.00 12.15 C ATOM 1396 CG1 VAL A 84 -6.710 9.830 -0.153 1.00 60.20 C ATOM 1397 CG2 VAL A 84 -5.874 8.020 1.414 1.00 24.00 C ATOM 0 H VAL A 84 -4.350 9.471 3.153 1.00 62.10 H new ATOM 0 HA VAL A 84 -3.953 9.761 0.379 1.00 44.34 H new ATOM 0 HB VAL A 84 -6.531 9.988 1.991 1.00 12.15 H new ATOM 0 HG11 VAL A 84 -7.691 9.355 -0.128 1.00 60.20 H new ATOM 0 HG12 VAL A 84 -6.831 10.906 -0.278 1.00 60.20 H new ATOM 0 HG13 VAL A 84 -6.134 9.430 -0.988 1.00 60.20 H new ATOM 0 HG21 VAL A 84 -6.875 7.590 1.402 1.00 24.00 H new ATOM 0 HG22 VAL A 84 -5.273 7.562 0.628 1.00 24.00 H new ATOM 0 HG23 VAL A 84 -5.410 7.832 2.382 1.00 24.00 H new ATOM 1407 N LYS A 85 -4.896 12.491 2.011 1.00 73.35 N ATOM 1408 CA LYS A 85 -5.017 13.954 1.944 1.00 21.21 C ATOM 1409 C LYS A 85 -3.639 14.606 1.729 1.00 33.44 C ATOM 1410 O LYS A 85 -3.506 15.523 0.913 1.00 34.13 O ATOM 1411 CB LYS A 85 -5.700 14.484 3.225 1.00 10.03 C ATOM 1412 CG LYS A 85 -7.139 13.955 3.413 1.00 41.44 C ATOM 1413 CD LYS A 85 -7.803 14.434 4.721 1.00 30.44 C ATOM 1414 CE LYS A 85 -7.993 15.958 4.789 1.00 54.41 C ATOM 1415 NZ LYS A 85 -8.774 16.363 5.989 1.00 52.13 N ATOM 0 H LYS A 85 -5.001 12.110 2.951 1.00 73.35 H new ATOM 0 HA LYS A 85 -5.639 14.220 1.090 1.00 21.21 H new ATOM 0 HB2 LYS A 85 -5.101 14.203 4.091 1.00 10.03 H new ATOM 0 HB3 LYS A 85 -5.722 15.573 3.193 1.00 10.03 H new ATOM 0 HG2 LYS A 85 -7.748 14.273 2.567 1.00 41.44 H new ATOM 0 HG3 LYS A 85 -7.122 12.865 3.401 1.00 41.44 H new ATOM 0 HD2 LYS A 85 -8.774 13.950 4.825 1.00 30.44 H new ATOM 0 HD3 LYS A 85 -7.195 14.113 5.567 1.00 30.44 H new ATOM 0 HE2 LYS A 85 -7.018 16.446 4.808 1.00 54.41 H new ATOM 0 HE3 LYS A 85 -8.504 16.301 3.889 1.00 54.41 H new ATOM 0 HZ1 LYS A 85 -8.881 17.397 6.000 1.00 52.13 H new ATOM 0 HZ2 LYS A 85 -9.713 15.918 5.958 1.00 52.13 H new ATOM 0 HZ3 LYS A 85 -8.274 16.057 6.848 1.00 52.13 H new ATOM 1429 N ASP A 86 -2.608 14.089 2.432 1.00 60.53 N ATOM 1430 CA ASP A 86 -1.245 14.664 2.408 1.00 63.32 C ATOM 1431 C ASP A 86 -0.566 14.459 1.047 1.00 34.12 C ATOM 1432 O ASP A 86 0.096 15.373 0.548 1.00 43.24 O ATOM 1433 CB ASP A 86 -0.359 14.069 3.535 1.00 25.30 C ATOM 1434 CG ASP A 86 1.058 14.696 3.567 1.00 24.22 C ATOM 1435 OD1 ASP A 86 1.198 15.837 4.053 1.00 60.23 O ATOM 1436 OD2 ASP A 86 2.028 14.064 3.096 1.00 51.31 O ATOM 0 H ASP A 86 -2.696 13.266 3.029 1.00 60.53 H new ATOM 0 HA ASP A 86 -1.354 15.735 2.579 1.00 63.32 H new ATOM 0 HB2 ASP A 86 -0.845 14.228 4.498 1.00 25.30 H new ATOM 0 HB3 ASP A 86 -0.273 12.991 3.395 1.00 25.30 H new ATOM 1441 N VAL A 87 -0.763 13.270 0.446 1.00 31.52 N ATOM 1442 CA VAL A 87 -0.163 12.903 -0.859 1.00 23.20 C ATOM 1443 C VAL A 87 -0.665 13.847 -1.987 1.00 61.33 C ATOM 1444 O VAL A 87 0.031 14.083 -2.984 1.00 11.54 O ATOM 1445 CB VAL A 87 -0.458 11.388 -1.215 1.00 21.53 C ATOM 1446 CG1 VAL A 87 -1.945 11.138 -1.542 1.00 32.24 C ATOM 1447 CG2 VAL A 87 0.444 10.886 -2.353 1.00 21.15 C ATOM 0 H VAL A 87 -1.343 12.534 0.849 1.00 31.52 H new ATOM 0 HA VAL A 87 0.917 13.023 -0.776 1.00 23.20 H new ATOM 0 HB VAL A 87 -0.224 10.813 -0.319 1.00 21.53 H new ATOM 0 HG11 VAL A 87 -2.093 10.084 -1.779 1.00 32.24 H new ATOM 0 HG12 VAL A 87 -2.557 11.406 -0.681 1.00 32.24 H new ATOM 0 HG13 VAL A 87 -2.237 11.747 -2.398 1.00 32.24 H new ATOM 0 HG21 VAL A 87 0.212 9.843 -2.568 1.00 21.15 H new ATOM 0 HG22 VAL A 87 0.272 11.488 -3.246 1.00 21.15 H new ATOM 0 HG23 VAL A 87 1.489 10.971 -2.054 1.00 21.15 H new