USER MOD reduce.3.24.130724 H: found=0, std=0, add=843, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 844 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 9 SER OG : rot -110:sc= 0.257 USER MOD Set 1.2: A 59 SER OG : rot 158:sc= 0.227 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 155:sc= -1.32 (180deg=-2.95!) USER MOD Single : A 21 MET CE :methyl -164:sc= -0.12 (180deg=-0.582) USER MOD Single : A 24 LYS NZ :NH3+ 139:sc= 1.15 (180deg=-0.0881) USER MOD Single : A 26 ASN : amide:sc=-0.00259 X(o=-0.0026,f=0) USER MOD Single : A 31 THR OG1 : rot 36:sc= 0.288 USER MOD Single : A 33 LYS NZ :NH3+ -147:sc= -0.454 (180deg=-2.04!) USER MOD Single : A 34 THR OG1 : rot -170:sc= -1.43 USER MOD Single : A 39 LYS NZ :NH3+ -143:sc=-0.00574 (180deg=-1.09) USER MOD Single : A 40 LYS NZ :NH3+ -113:sc= 0.391 (180deg=0.2) USER MOD Single : A 41 TYR OH : rot -159:sc= 0.511 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot -86:sc= 0.471 USER MOD Single : A 50 GLN : amide:sc= 0.207 X(o=0.21,f=-0.00098) USER MOD Single : A 51 ASN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 53 LYS NZ :NH3+ -168:sc= 0.0106 (180deg=0.00235) USER MOD Single : A 60 ASN : amide:sc= 0.00255 X(o=0.0025,f=-0.27) USER MOD Single : A 66 LYS NZ :NH3+ -161:sc= -1.36! (180deg=-2.36!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl -165:sc=-0.00323 (180deg=-0.238) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 180:sc=-0.00283 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -179:sc= 0.497 (180deg=0.496) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 SER OG : rot 81:sc= -1.51 USER MOD ----------------------------------------------------------------- ATOM 20 N LEU A 2 -10.311 -1.836 10.334 1.00 54.31 N ATOM 21 CA LEU A 2 -9.894 -2.610 9.146 1.00 61.20 C ATOM 22 C LEU A 2 -8.647 -1.949 8.506 1.00 63.52 C ATOM 23 O LEU A 2 -8.745 -0.859 7.949 1.00 74.12 O ATOM 24 CB LEU A 2 -11.061 -2.682 8.112 1.00 44.43 C ATOM 25 CG LEU A 2 -12.475 -3.032 8.675 1.00 74.33 C ATOM 26 CD1 LEU A 2 -13.552 -2.908 7.577 1.00 42.32 C ATOM 27 CD2 LEU A 2 -12.499 -4.426 9.338 1.00 42.21 C ATOM 0 HA LEU A 2 -9.641 -3.625 9.451 1.00 61.20 H new ATOM 0 HB2 LEU A 2 -11.125 -1.720 7.604 1.00 44.43 H new ATOM 0 HB3 LEU A 2 -10.802 -3.424 7.357 1.00 44.43 H new ATOM 0 HG LEU A 2 -12.708 -2.306 9.454 1.00 74.33 H new ATOM 0 HD11 LEU A 2 -14.528 -3.157 7.995 1.00 42.32 H new ATOM 0 HD12 LEU A 2 -13.569 -1.886 7.198 1.00 42.32 H new ATOM 0 HD13 LEU A 2 -13.321 -3.593 6.762 1.00 42.32 H new ATOM 0 HD21 LEU A 2 -13.500 -4.632 9.717 1.00 42.21 H new ATOM 0 HD22 LEU A 2 -12.227 -5.183 8.603 1.00 42.21 H new ATOM 0 HD23 LEU A 2 -11.787 -4.449 10.163 1.00 42.21 H new ATOM 39 N LEU A 3 -7.464 -2.577 8.643 1.00 2.42 N ATOM 40 CA LEU A 3 -6.198 -2.004 8.127 1.00 55.12 C ATOM 41 C LEU A 3 -5.579 -2.898 7.040 1.00 4.12 C ATOM 42 O LEU A 3 -5.298 -4.078 7.271 1.00 13.12 O ATOM 43 CB LEU A 3 -5.207 -1.784 9.304 1.00 4.53 C ATOM 44 CG LEU A 3 -5.704 -0.840 10.445 1.00 21.31 C ATOM 45 CD1 LEU A 3 -4.639 -0.652 11.547 1.00 72.23 C ATOM 46 CD2 LEU A 3 -6.164 0.514 9.882 1.00 0.30 C ATOM 0 H LEU A 3 -7.354 -3.480 9.105 1.00 2.42 H new ATOM 0 HA LEU A 3 -6.415 -1.042 7.663 1.00 55.12 H new ATOM 0 HB2 LEU A 3 -4.969 -2.754 9.739 1.00 4.53 H new ATOM 0 HB3 LEU A 3 -4.279 -1.379 8.901 1.00 4.53 H new ATOM 0 HG LEU A 3 -6.563 -1.323 10.910 1.00 21.31 H new ATOM 0 HD11 LEU A 3 -5.028 0.012 12.319 1.00 72.23 H new ATOM 0 HD12 LEU A 3 -4.397 -1.619 11.988 1.00 72.23 H new ATOM 0 HD13 LEU A 3 -3.739 -0.216 11.113 1.00 72.23 H new ATOM 0 HD21 LEU A 3 -6.505 1.151 10.698 1.00 0.30 H new ATOM 0 HD22 LEU A 3 -5.332 0.996 9.369 1.00 0.30 H new ATOM 0 HD23 LEU A 3 -6.982 0.357 9.179 1.00 0.30 H new ATOM 58 N TYR A 4 -5.375 -2.318 5.849 1.00 30.14 N ATOM 59 CA TYR A 4 -4.771 -3.007 4.697 1.00 14.23 C ATOM 60 C TYR A 4 -3.609 -2.179 4.138 1.00 1.41 C ATOM 61 O TYR A 4 -3.662 -0.949 4.112 1.00 13.44 O ATOM 62 CB TYR A 4 -5.838 -3.272 3.599 1.00 65.35 C ATOM 63 CG TYR A 4 -6.827 -4.405 3.939 1.00 45.10 C ATOM 64 CD1 TYR A 4 -6.546 -5.730 3.586 1.00 70.04 C ATOM 65 CD2 TYR A 4 -8.031 -4.160 4.610 1.00 61.21 C ATOM 66 CE1 TYR A 4 -7.422 -6.756 3.882 1.00 23.40 C ATOM 67 CE2 TYR A 4 -8.911 -5.190 4.908 1.00 2.01 C ATOM 68 CZ TYR A 4 -8.600 -6.486 4.543 1.00 42.04 C ATOM 69 OH TYR A 4 -9.471 -7.519 4.841 1.00 22.44 O ATOM 0 H TYR A 4 -5.626 -1.349 5.655 1.00 30.14 H new ATOM 0 HA TYR A 4 -4.382 -3.970 5.029 1.00 14.23 H new ATOM 0 HB2 TYR A 4 -6.400 -2.354 3.425 1.00 65.35 H new ATOM 0 HB3 TYR A 4 -5.330 -3.516 2.666 1.00 65.35 H new ATOM 0 HD1 TYR A 4 -5.624 -5.955 3.071 1.00 70.04 H new ATOM 0 HD2 TYR A 4 -8.279 -3.150 4.901 1.00 61.21 H new ATOM 0 HE1 TYR A 4 -7.183 -7.770 3.595 1.00 23.40 H new ATOM 0 HE2 TYR A 4 -9.836 -4.980 5.424 1.00 2.01 H new ATOM 0 HH TYR A 4 -10.254 -7.162 5.309 1.00 22.44 H new ATOM 79 N VAL A 5 -2.550 -2.888 3.725 1.00 41.23 N ATOM 80 CA VAL A 5 -1.369 -2.317 3.063 1.00 24.13 C ATOM 81 C VAL A 5 -1.253 -2.912 1.650 1.00 2.30 C ATOM 82 O VAL A 5 -1.523 -4.093 1.441 1.00 55.35 O ATOM 83 CB VAL A 5 -0.055 -2.609 3.894 1.00 43.25 C ATOM 84 CG1 VAL A 5 1.219 -2.096 3.179 1.00 12.33 C ATOM 85 CG2 VAL A 5 -0.161 -2.005 5.309 1.00 43.54 C ATOM 0 H VAL A 5 -2.489 -3.899 3.845 1.00 41.23 H new ATOM 0 HA VAL A 5 -1.484 -1.235 2.999 1.00 24.13 H new ATOM 0 HB VAL A 5 0.036 -3.692 3.977 1.00 43.25 H new ATOM 0 HG11 VAL A 5 2.094 -2.320 3.789 1.00 12.33 H new ATOM 0 HG12 VAL A 5 1.316 -2.588 2.211 1.00 12.33 H new ATOM 0 HG13 VAL A 5 1.145 -1.018 3.033 1.00 12.33 H new ATOM 0 HG21 VAL A 5 0.753 -2.217 5.864 1.00 43.54 H new ATOM 0 HG22 VAL A 5 -0.299 -0.926 5.235 1.00 43.54 H new ATOM 0 HG23 VAL A 5 -1.012 -2.444 5.829 1.00 43.54 H new ATOM 95 N LEU A 6 -0.885 -2.062 0.696 1.00 11.34 N ATOM 96 CA LEU A 6 -0.619 -2.418 -0.700 1.00 33.15 C ATOM 97 C LEU A 6 0.791 -1.919 -1.009 1.00 11.25 C ATOM 98 O LEU A 6 1.202 -0.884 -0.467 1.00 12.13 O ATOM 99 CB LEU A 6 -1.659 -1.742 -1.655 1.00 64.35 C ATOM 100 CG LEU A 6 -3.171 -1.990 -1.331 1.00 20.21 C ATOM 101 CD1 LEU A 6 -4.109 -1.282 -2.333 1.00 11.13 C ATOM 102 CD2 LEU A 6 -3.486 -3.485 -1.264 1.00 45.12 C ATOM 0 H LEU A 6 -0.758 -1.066 0.878 1.00 11.34 H new ATOM 0 HA LEU A 6 -0.702 -3.494 -0.851 1.00 33.15 H new ATOM 0 HB2 LEU A 6 -1.481 -0.667 -1.647 1.00 64.35 H new ATOM 0 HB3 LEU A 6 -1.466 -2.090 -2.670 1.00 64.35 H new ATOM 0 HG LEU A 6 -3.355 -1.554 -0.349 1.00 20.21 H new ATOM 0 HD11 LEU A 6 -5.146 -1.484 -2.066 1.00 11.13 H new ATOM 0 HD12 LEU A 6 -3.929 -0.207 -2.303 1.00 11.13 H new ATOM 0 HD13 LEU A 6 -3.914 -1.654 -3.339 1.00 11.13 H new ATOM 0 HD21 LEU A 6 -4.543 -3.624 -1.037 1.00 45.12 H new ATOM 0 HD22 LEU A 6 -3.256 -3.949 -2.223 1.00 45.12 H new ATOM 0 HD23 LEU A 6 -2.883 -3.949 -0.483 1.00 45.12 H new ATOM 114 N ILE A 7 1.547 -2.637 -1.842 1.00 21.14 N ATOM 115 CA ILE A 7 2.901 -2.206 -2.227 1.00 11.21 C ATOM 116 C ILE A 7 3.129 -2.411 -3.733 1.00 41.54 C ATOM 117 O ILE A 7 3.060 -3.535 -4.246 1.00 15.33 O ATOM 118 CB ILE A 7 4.021 -2.921 -1.369 1.00 62.51 C ATOM 119 CG1 ILE A 7 5.436 -2.406 -1.787 1.00 71.30 C ATOM 120 CG2 ILE A 7 3.929 -4.469 -1.440 1.00 3.13 C ATOM 121 CD1 ILE A 7 6.579 -2.928 -0.944 1.00 33.54 C ATOM 0 H ILE A 7 1.250 -3.517 -2.264 1.00 21.14 H new ATOM 0 HA ILE A 7 2.978 -1.140 -2.013 1.00 11.21 H new ATOM 0 HB ILE A 7 3.852 -2.658 -0.325 1.00 62.51 H new ATOM 0 HG12 ILE A 7 5.615 -2.682 -2.826 1.00 71.30 H new ATOM 0 HG13 ILE A 7 5.438 -1.317 -1.742 1.00 71.30 H new ATOM 0 HG21 ILE A 7 4.721 -4.909 -0.833 1.00 3.13 H new ATOM 0 HG22 ILE A 7 2.960 -4.794 -1.062 1.00 3.13 H new ATOM 0 HG23 ILE A 7 4.042 -4.793 -2.475 1.00 3.13 H new ATOM 0 HD11 ILE A 7 7.519 -2.516 -1.310 1.00 33.54 H new ATOM 0 HD12 ILE A 7 6.432 -2.629 0.094 1.00 33.54 H new ATOM 0 HD13 ILE A 7 6.611 -4.016 -1.008 1.00 33.54 H new ATOM 133 N ILE A 8 3.357 -1.295 -4.442 1.00 1.34 N ATOM 134 CA ILE A 8 3.729 -1.293 -5.857 1.00 33.34 C ATOM 135 C ILE A 8 5.251 -1.094 -5.926 1.00 71.03 C ATOM 136 O ILE A 8 5.747 0.028 -5.755 1.00 74.14 O ATOM 137 CB ILE A 8 2.983 -0.133 -6.628 1.00 44.13 C ATOM 138 CG1 ILE A 8 1.461 -0.144 -6.274 1.00 63.33 C ATOM 139 CG2 ILE A 8 3.210 -0.239 -8.159 1.00 3.43 C ATOM 140 CD1 ILE A 8 0.645 0.979 -6.867 1.00 3.12 C ATOM 0 H ILE A 8 3.286 -0.360 -4.040 1.00 1.34 H new ATOM 0 HA ILE A 8 3.441 -2.232 -6.330 1.00 33.34 H new ATOM 0 HB ILE A 8 3.402 0.821 -6.307 1.00 44.13 H new ATOM 0 HG12 ILE A 8 1.036 -1.092 -6.605 1.00 63.33 H new ATOM 0 HG13 ILE A 8 1.358 -0.110 -5.189 1.00 63.33 H new ATOM 0 HG21 ILE A 8 2.684 0.573 -8.662 1.00 3.43 H new ATOM 0 HG22 ILE A 8 4.276 -0.169 -8.374 1.00 3.43 H new ATOM 0 HG23 ILE A 8 2.829 -1.195 -8.518 1.00 3.43 H new ATOM 0 HD11 ILE A 8 -0.395 0.875 -6.558 1.00 3.12 H new ATOM 0 HD12 ILE A 8 1.034 1.935 -6.517 1.00 3.12 H new ATOM 0 HD13 ILE A 8 0.706 0.938 -7.955 1.00 3.12 H new ATOM 152 N SER A 9 5.976 -2.192 -6.139 1.00 22.45 N ATOM 153 CA SER A 9 7.442 -2.200 -6.166 1.00 21.22 C ATOM 154 C SER A 9 7.931 -3.393 -6.992 1.00 10.31 C ATOM 155 O SER A 9 7.397 -4.499 -6.870 1.00 73.20 O ATOM 156 CB SER A 9 7.997 -2.275 -4.718 1.00 75.34 C ATOM 157 OG SER A 9 9.415 -2.270 -4.688 1.00 4.45 O ATOM 0 H SER A 9 5.561 -3.110 -6.299 1.00 22.45 H new ATOM 0 HA SER A 9 7.803 -1.280 -6.626 1.00 21.22 H new ATOM 0 HB2 SER A 9 7.620 -1.430 -4.142 1.00 75.34 H new ATOM 0 HB3 SER A 9 7.628 -3.180 -4.235 1.00 75.34 H new ATOM 0 HG SER A 9 9.739 -3.151 -4.406 1.00 4.45 H new ATOM 163 N ASN A 10 8.908 -3.144 -7.872 1.00 53.24 N ATOM 164 CA ASN A 10 9.654 -4.208 -8.573 1.00 23.35 C ATOM 165 C ASN A 10 10.810 -4.705 -7.684 1.00 31.41 C ATOM 166 O ASN A 10 11.363 -5.790 -7.914 1.00 60.42 O ATOM 167 CB ASN A 10 10.204 -3.688 -9.927 1.00 21.02 C ATOM 168 CG ASN A 10 9.117 -3.252 -10.916 1.00 25.35 C ATOM 169 OD1 ASN A 10 7.993 -3.761 -10.902 1.00 71.30 O ATOM 170 ND2 ASN A 10 9.444 -2.311 -11.791 1.00 35.45 N ATOM 0 H ASN A 10 9.207 -2.201 -8.121 1.00 53.24 H new ATOM 0 HA ASN A 10 8.976 -5.037 -8.775 1.00 23.35 H new ATOM 0 HB2 ASN A 10 10.868 -2.845 -9.738 1.00 21.02 H new ATOM 0 HB3 ASN A 10 10.807 -4.471 -10.387 1.00 21.02 H new ATOM 0 HD21 ASN A 10 8.759 -1.991 -12.475 1.00 35.45 H new ATOM 0 HD22 ASN A 10 10.381 -1.908 -11.780 1.00 35.45 H new ATOM 177 N ASP A 11 11.158 -3.889 -6.666 1.00 2.31 N ATOM 178 CA ASP A 11 12.229 -4.185 -5.704 1.00 71.20 C ATOM 179 C ASP A 11 11.738 -5.280 -4.747 1.00 55.34 C ATOM 180 O ASP A 11 11.063 -4.986 -3.756 1.00 30.43 O ATOM 181 CB ASP A 11 12.630 -2.914 -4.901 1.00 41.34 C ATOM 182 CG ASP A 11 12.841 -1.684 -5.782 1.00 2.12 C ATOM 183 OD1 ASP A 11 13.971 -1.464 -6.264 1.00 14.14 O ATOM 184 OD2 ASP A 11 11.862 -0.942 -6.023 1.00 34.54 O ATOM 0 H ASP A 11 10.695 -2.997 -6.491 1.00 2.31 H new ATOM 0 HA ASP A 11 13.112 -4.525 -6.245 1.00 71.20 H new ATOM 0 HB2 ASP A 11 11.855 -2.697 -4.166 1.00 41.34 H new ATOM 0 HB3 ASP A 11 13.546 -3.117 -4.347 1.00 41.34 H new ATOM 189 N LYS A 12 12.063 -6.538 -5.081 1.00 60.42 N ATOM 190 CA LYS A 12 11.587 -7.731 -4.354 1.00 1.42 C ATOM 191 C LYS A 12 12.033 -7.731 -2.877 1.00 42.04 C ATOM 192 O LYS A 12 11.283 -8.168 -2.004 1.00 33.33 O ATOM 193 CB LYS A 12 12.067 -9.025 -5.074 1.00 1.51 C ATOM 194 CG LYS A 12 11.450 -9.257 -6.475 1.00 51.53 C ATOM 195 CD LYS A 12 9.913 -9.452 -6.436 1.00 72.32 C ATOM 196 CE LYS A 12 9.325 -9.825 -7.808 1.00 25.33 C ATOM 197 NZ LYS A 12 7.857 -10.071 -7.736 1.00 41.40 N ATOM 0 H LYS A 12 12.669 -6.761 -5.870 1.00 60.42 H new ATOM 0 HA LYS A 12 10.497 -7.704 -4.357 1.00 1.42 H new ATOM 0 HB2 LYS A 12 13.152 -8.988 -5.172 1.00 1.51 H new ATOM 0 HB3 LYS A 12 11.833 -9.883 -4.443 1.00 1.51 H new ATOM 0 HG2 LYS A 12 11.687 -8.407 -7.115 1.00 51.53 H new ATOM 0 HG3 LYS A 12 11.911 -10.135 -6.928 1.00 51.53 H new ATOM 0 HD2 LYS A 12 9.668 -10.233 -5.716 1.00 72.32 H new ATOM 0 HD3 LYS A 12 9.444 -8.534 -6.082 1.00 72.32 H new ATOM 0 HE2 LYS A 12 9.524 -9.023 -8.518 1.00 25.33 H new ATOM 0 HE3 LYS A 12 9.824 -10.717 -8.186 1.00 25.33 H new ATOM 0 HZ1 LYS A 12 7.500 -10.319 -8.681 1.00 41.40 H new ATOM 0 HZ2 LYS A 12 7.668 -10.854 -7.078 1.00 41.40 H new ATOM 0 HZ3 LYS A 12 7.377 -9.212 -7.399 1.00 41.40 H new ATOM 211 N LYS A 13 13.240 -7.202 -2.621 1.00 52.42 N ATOM 212 CA LYS A 13 13.829 -7.129 -1.270 1.00 24.02 C ATOM 213 C LYS A 13 13.133 -6.045 -0.423 1.00 41.40 C ATOM 214 O LYS A 13 12.983 -6.209 0.786 1.00 53.22 O ATOM 215 CB LYS A 13 15.348 -6.850 -1.374 1.00 64.31 C ATOM 216 CG LYS A 13 16.133 -7.924 -2.172 1.00 4.13 C ATOM 217 CD LYS A 13 17.653 -7.630 -2.239 1.00 24.42 C ATOM 218 CE LYS A 13 18.309 -7.587 -0.849 1.00 24.12 C ATOM 219 NZ LYS A 13 19.769 -7.308 -0.918 1.00 63.44 N ATOM 0 H LYS A 13 13.839 -6.810 -3.347 1.00 52.42 H new ATOM 0 HA LYS A 13 13.679 -8.087 -0.772 1.00 24.02 H new ATOM 0 HB2 LYS A 13 15.497 -5.879 -1.847 1.00 64.31 H new ATOM 0 HB3 LYS A 13 15.764 -6.782 -0.369 1.00 64.31 H new ATOM 0 HG2 LYS A 13 15.976 -8.899 -1.711 1.00 4.13 H new ATOM 0 HG3 LYS A 13 15.734 -7.982 -3.185 1.00 4.13 H new ATOM 0 HD2 LYS A 13 18.141 -8.395 -2.843 1.00 24.42 H new ATOM 0 HD3 LYS A 13 17.813 -6.676 -2.742 1.00 24.42 H new ATOM 0 HE2 LYS A 13 17.824 -6.820 -0.245 1.00 24.12 H new ATOM 0 HE3 LYS A 13 18.148 -8.540 -0.345 1.00 24.12 H new ATOM 0 HZ1 LYS A 13 20.165 -7.289 0.044 1.00 63.44 H new ATOM 0 HZ2 LYS A 13 20.239 -8.053 -1.471 1.00 63.44 H new ATOM 0 HZ3 LYS A 13 19.925 -6.387 -1.375 1.00 63.44 H new ATOM 233 N LEU A 14 12.716 -4.946 -1.083 1.00 75.13 N ATOM 234 CA LEU A 14 11.938 -3.855 -0.452 1.00 41.30 C ATOM 235 C LEU A 14 10.528 -4.368 -0.070 1.00 14.21 C ATOM 236 O LEU A 14 9.974 -3.972 0.962 1.00 34.02 O ATOM 237 CB LEU A 14 11.897 -2.637 -1.431 1.00 55.24 C ATOM 238 CG LEU A 14 11.311 -1.258 -0.917 1.00 33.42 C ATOM 239 CD1 LEU A 14 11.918 -0.068 -1.698 1.00 53.13 C ATOM 240 CD2 LEU A 14 9.767 -1.193 -1.005 1.00 12.52 C ATOM 0 H LEU A 14 12.909 -4.787 -2.072 1.00 75.13 H new ATOM 0 HA LEU A 14 12.410 -3.524 0.473 1.00 41.30 H new ATOM 0 HB2 LEU A 14 12.916 -2.455 -1.772 1.00 55.24 H new ATOM 0 HB3 LEU A 14 11.317 -2.936 -2.304 1.00 55.24 H new ATOM 0 HG LEU A 14 11.590 -1.187 0.134 1.00 33.42 H new ATOM 0 HD11 LEU A 14 11.497 0.865 -1.324 1.00 53.13 H new ATOM 0 HD12 LEU A 14 13.000 -0.058 -1.563 1.00 53.13 H new ATOM 0 HD13 LEU A 14 11.685 -0.172 -2.758 1.00 53.13 H new ATOM 0 HD21 LEU A 14 9.422 -0.226 -0.640 1.00 12.52 H new ATOM 0 HD22 LEU A 14 9.456 -1.321 -2.042 1.00 12.52 H new ATOM 0 HD23 LEU A 14 9.334 -1.986 -0.396 1.00 12.52 H new ATOM 252 N ILE A 15 9.975 -5.273 -0.916 1.00 21.34 N ATOM 253 CA ILE A 15 8.692 -5.961 -0.655 1.00 2.45 C ATOM 254 C ILE A 15 8.818 -6.891 0.567 1.00 63.22 C ATOM 255 O ILE A 15 7.910 -6.958 1.398 1.00 5.11 O ATOM 256 CB ILE A 15 8.207 -6.797 -1.903 1.00 51.33 C ATOM 257 CG1 ILE A 15 8.006 -5.881 -3.152 1.00 2.44 C ATOM 258 CG2 ILE A 15 6.910 -7.578 -1.580 1.00 23.12 C ATOM 259 CD1 ILE A 15 7.673 -6.623 -4.437 1.00 44.12 C ATOM 0 H ILE A 15 10.409 -5.544 -1.798 1.00 21.34 H new ATOM 0 HA ILE A 15 7.950 -5.189 -0.454 1.00 2.45 H new ATOM 0 HB ILE A 15 8.987 -7.521 -2.139 1.00 51.33 H new ATOM 0 HG12 ILE A 15 7.206 -5.172 -2.940 1.00 2.44 H new ATOM 0 HG13 ILE A 15 8.914 -5.300 -3.309 1.00 2.44 H new ATOM 0 HG21 ILE A 15 6.599 -8.145 -2.457 1.00 23.12 H new ATOM 0 HG22 ILE A 15 7.094 -8.263 -0.752 1.00 23.12 H new ATOM 0 HG23 ILE A 15 6.123 -6.877 -1.303 1.00 23.12 H new ATOM 0 HD11 ILE A 15 7.551 -5.907 -5.250 1.00 44.12 H new ATOM 0 HD12 ILE A 15 8.482 -7.312 -4.679 1.00 44.12 H new ATOM 0 HD13 ILE A 15 6.747 -7.182 -4.305 1.00 44.12 H new ATOM 271 N GLU A 16 9.964 -7.602 0.649 1.00 22.25 N ATOM 272 CA GLU A 16 10.286 -8.493 1.780 1.00 30.23 C ATOM 273 C GLU A 16 10.358 -7.698 3.091 1.00 12.34 C ATOM 274 O GLU A 16 9.811 -8.125 4.108 1.00 25.21 O ATOM 275 CB GLU A 16 11.604 -9.267 1.512 1.00 44.33 C ATOM 276 CG GLU A 16 11.505 -10.278 0.350 1.00 74.23 C ATOM 277 CD GLU A 16 12.828 -10.991 0.053 1.00 54.41 C ATOM 278 OE1 GLU A 16 13.192 -11.919 0.806 1.00 52.11 O ATOM 279 OE2 GLU A 16 13.521 -10.623 -0.925 1.00 61.13 O ATOM 0 H GLU A 16 10.690 -7.573 -0.067 1.00 22.25 H new ATOM 0 HA GLU A 16 9.487 -9.227 1.880 1.00 30.23 H new ATOM 0 HB2 GLU A 16 12.397 -8.552 1.293 1.00 44.33 H new ATOM 0 HB3 GLU A 16 11.895 -9.797 2.419 1.00 44.33 H new ATOM 0 HG2 GLU A 16 10.745 -11.022 0.589 1.00 74.23 H new ATOM 0 HG3 GLU A 16 11.171 -9.758 -0.548 1.00 74.23 H new ATOM 286 N GLU A 17 10.996 -6.513 3.028 1.00 31.42 N ATOM 287 CA GLU A 17 11.111 -5.586 4.170 1.00 52.13 C ATOM 288 C GLU A 17 9.724 -5.111 4.647 1.00 41.45 C ATOM 289 O GLU A 17 9.445 -5.092 5.855 1.00 50.31 O ATOM 290 CB GLU A 17 12.001 -4.369 3.789 1.00 31.14 C ATOM 291 CG GLU A 17 13.500 -4.695 3.626 1.00 23.24 C ATOM 292 CD GLU A 17 14.102 -5.397 4.862 1.00 43.52 C ATOM 293 OE1 GLU A 17 14.263 -4.748 5.913 1.00 15.24 O ATOM 294 OE2 GLU A 17 14.393 -6.609 4.796 1.00 31.53 O ATOM 0 H GLU A 17 11.448 -6.171 2.180 1.00 31.42 H new ATOM 0 HA GLU A 17 11.581 -6.123 4.994 1.00 52.13 H new ATOM 0 HB2 GLU A 17 11.632 -3.944 2.856 1.00 31.14 H new ATOM 0 HB3 GLU A 17 11.891 -3.601 4.555 1.00 31.14 H new ATOM 0 HG2 GLU A 17 13.635 -5.332 2.752 1.00 23.24 H new ATOM 0 HG3 GLU A 17 14.048 -3.772 3.436 1.00 23.24 H new ATOM 301 N ALA A 18 8.866 -4.758 3.676 1.00 33.23 N ATOM 302 CA ALA A 18 7.506 -4.267 3.937 1.00 60.44 C ATOM 303 C ALA A 18 6.608 -5.362 4.551 1.00 64.43 C ATOM 304 O ALA A 18 5.849 -5.100 5.492 1.00 61.15 O ATOM 305 CB ALA A 18 6.887 -3.738 2.634 1.00 65.25 C ATOM 0 H ALA A 18 9.099 -4.806 2.684 1.00 33.23 H new ATOM 0 HA ALA A 18 7.574 -3.458 4.664 1.00 60.44 H new ATOM 0 HB1 ALA A 18 5.878 -3.375 2.832 1.00 65.25 H new ATOM 0 HB2 ALA A 18 7.497 -2.922 2.246 1.00 65.25 H new ATOM 0 HB3 ALA A 18 6.846 -4.541 1.898 1.00 65.25 H new ATOM 311 N ARG A 19 6.709 -6.585 3.993 1.00 71.55 N ATOM 312 CA ARG A 19 5.895 -7.740 4.411 1.00 12.20 C ATOM 313 C ARG A 19 6.203 -8.149 5.858 1.00 54.20 C ATOM 314 O ARG A 19 5.283 -8.382 6.647 1.00 32.03 O ATOM 315 CB ARG A 19 6.117 -8.950 3.469 1.00 5.04 C ATOM 316 CG ARG A 19 5.138 -10.123 3.727 1.00 23.33 C ATOM 317 CD ARG A 19 5.447 -11.373 2.896 1.00 73.33 C ATOM 318 NE ARG A 19 5.613 -11.074 1.468 1.00 40.31 N ATOM 319 CZ ARG A 19 4.703 -11.294 0.514 1.00 2.23 C ATOM 320 NH1 ARG A 19 3.511 -11.813 0.800 1.00 43.11 N ATOM 321 NH2 ARG A 19 5.008 -11.000 -0.737 1.00 24.21 N ATOM 0 H ARG A 19 7.360 -6.798 3.237 1.00 71.55 H new ATOM 0 HA ARG A 19 4.851 -7.433 4.351 1.00 12.20 H new ATOM 0 HB2 ARG A 19 6.011 -8.620 2.436 1.00 5.04 H new ATOM 0 HB3 ARG A 19 7.140 -9.308 3.586 1.00 5.04 H new ATOM 0 HG2 ARG A 19 5.167 -10.384 4.785 1.00 23.33 H new ATOM 0 HG3 ARG A 19 4.123 -9.793 3.508 1.00 23.33 H new ATOM 0 HD2 ARG A 19 6.356 -11.840 3.274 1.00 73.33 H new ATOM 0 HD3 ARG A 19 4.641 -12.096 3.021 1.00 73.33 H new ATOM 0 HE ARG A 19 6.500 -10.662 1.179 1.00 40.31 H new ATOM 0 HH11 ARG A 19 3.276 -12.051 1.764 1.00 43.11 H new ATOM 0 HH12 ARG A 19 2.832 -11.972 0.056 1.00 43.11 H new ATOM 0 HH21 ARG A 19 5.925 -10.612 -0.961 1.00 24.21 H new ATOM 0 HH22 ARG A 19 4.327 -11.161 -1.479 1.00 24.21 H new ATOM 335 N LYS A 20 7.514 -8.209 6.190 1.00 43.43 N ATOM 336 CA LYS A 20 7.984 -8.585 7.540 1.00 5.34 C ATOM 337 C LYS A 20 7.516 -7.565 8.594 1.00 52.14 C ATOM 338 O LYS A 20 7.245 -7.931 9.742 1.00 14.33 O ATOM 339 CB LYS A 20 9.527 -8.755 7.568 1.00 2.35 C ATOM 340 CG LYS A 20 10.052 -9.932 6.708 1.00 15.41 C ATOM 341 CD LYS A 20 11.594 -10.134 6.766 1.00 34.33 C ATOM 342 CE LYS A 20 12.418 -9.017 6.081 1.00 64.42 C ATOM 343 NZ LYS A 20 12.452 -7.736 6.848 1.00 42.05 N ATOM 0 H LYS A 20 8.268 -8.000 5.535 1.00 43.43 H new ATOM 0 HA LYS A 20 7.540 -9.548 7.791 1.00 5.34 H new ATOM 0 HB2 LYS A 20 9.989 -7.831 7.220 1.00 2.35 H new ATOM 0 HB3 LYS A 20 9.846 -8.903 8.600 1.00 2.35 H new ATOM 0 HG2 LYS A 20 9.565 -10.851 7.035 1.00 15.41 H new ATOM 0 HG3 LYS A 20 9.758 -9.768 5.671 1.00 15.41 H new ATOM 0 HD2 LYS A 20 11.899 -10.203 7.810 1.00 34.33 H new ATOM 0 HD3 LYS A 20 11.840 -11.087 6.298 1.00 34.33 H new ATOM 0 HE2 LYS A 20 13.439 -9.369 5.935 1.00 64.42 H new ATOM 0 HE3 LYS A 20 12.002 -8.826 5.092 1.00 64.42 H new ATOM 0 HZ1 LYS A 20 13.308 -7.202 6.594 1.00 42.05 H new ATOM 0 HZ2 LYS A 20 11.610 -7.171 6.617 1.00 42.05 H new ATOM 0 HZ3 LYS A 20 12.462 -7.942 7.867 1.00 42.05 H new ATOM 357 N MET A 21 7.410 -6.292 8.176 1.00 64.31 N ATOM 358 CA MET A 21 6.823 -5.220 8.999 1.00 34.22 C ATOM 359 C MET A 21 5.323 -5.447 9.215 1.00 22.55 C ATOM 360 O MET A 21 4.833 -5.313 10.333 1.00 35.14 O ATOM 361 CB MET A 21 7.057 -3.837 8.340 1.00 43.42 C ATOM 362 CG MET A 21 8.484 -3.319 8.468 1.00 52.55 C ATOM 363 SD MET A 21 9.016 -3.116 10.184 1.00 45.15 S ATOM 364 CE MET A 21 7.709 -2.082 10.858 1.00 50.14 C ATOM 0 H MET A 21 7.728 -5.977 7.259 1.00 64.31 H new ATOM 0 HA MET A 21 7.318 -5.239 9.970 1.00 34.22 H new ATOM 0 HB2 MET A 21 6.799 -3.902 7.283 1.00 43.42 H new ATOM 0 HB3 MET A 21 6.378 -3.113 8.790 1.00 43.42 H new ATOM 0 HG2 MET A 21 9.161 -4.009 7.964 1.00 52.55 H new ATOM 0 HG3 MET A 21 8.564 -2.361 7.954 1.00 52.55 H new ATOM 0 HE1 MET A 21 8.039 -1.648 11.802 1.00 50.14 H new ATOM 0 HE2 MET A 21 7.476 -1.284 10.153 1.00 50.14 H new ATOM 0 HE3 MET A 21 6.818 -2.687 11.029 1.00 50.14 H new ATOM 374 N ALA A 22 4.619 -5.798 8.125 1.00 34.21 N ATOM 375 CA ALA A 22 3.161 -5.994 8.130 1.00 52.40 C ATOM 376 C ALA A 22 2.728 -7.169 9.037 1.00 65.30 C ATOM 377 O ALA A 22 1.635 -7.127 9.607 1.00 32.35 O ATOM 378 CB ALA A 22 2.656 -6.200 6.699 1.00 24.14 C ATOM 0 H ALA A 22 5.048 -5.954 7.213 1.00 34.21 H new ATOM 0 HA ALA A 22 2.710 -5.093 8.546 1.00 52.40 H new ATOM 0 HB1 ALA A 22 1.576 -6.344 6.712 1.00 24.14 H new ATOM 0 HB2 ALA A 22 2.898 -5.323 6.098 1.00 24.14 H new ATOM 0 HB3 ALA A 22 3.134 -7.079 6.267 1.00 24.14 H new ATOM 384 N GLU A 23 3.597 -8.210 9.144 1.00 4.34 N ATOM 385 CA GLU A 23 3.395 -9.360 10.072 1.00 72.14 C ATOM 386 C GLU A 23 3.277 -8.862 11.521 1.00 32.12 C ATOM 387 O GLU A 23 2.312 -9.154 12.235 1.00 73.45 O ATOM 388 CB GLU A 23 4.582 -10.369 9.988 1.00 64.54 C ATOM 389 CG GLU A 23 4.845 -10.958 8.593 1.00 12.22 C ATOM 390 CD GLU A 23 6.019 -11.951 8.570 1.00 65.35 C ATOM 391 OE1 GLU A 23 7.159 -11.536 8.874 1.00 61.44 O ATOM 392 OE2 GLU A 23 5.805 -13.146 8.265 1.00 31.04 O ATOM 0 H GLU A 23 4.453 -8.277 8.593 1.00 4.34 H new ATOM 0 HA GLU A 23 2.476 -9.863 9.773 1.00 72.14 H new ATOM 0 HB2 GLU A 23 5.488 -9.868 10.330 1.00 64.54 H new ATOM 0 HB3 GLU A 23 4.390 -11.189 10.680 1.00 64.54 H new ATOM 0 HG2 GLU A 23 3.944 -11.461 8.242 1.00 12.22 H new ATOM 0 HG3 GLU A 23 5.050 -10.146 7.895 1.00 12.22 H new ATOM 399 N LYS A 24 4.276 -8.058 11.893 1.00 53.41 N ATOM 400 CA LYS A 24 4.469 -7.534 13.250 1.00 32.23 C ATOM 401 C LYS A 24 3.454 -6.423 13.565 1.00 52.05 C ATOM 402 O LYS A 24 3.023 -6.266 14.711 1.00 64.24 O ATOM 403 CB LYS A 24 5.940 -7.045 13.359 1.00 43.21 C ATOM 404 CG LYS A 24 6.967 -8.177 13.081 1.00 34.30 C ATOM 405 CD LYS A 24 8.416 -7.679 12.912 1.00 14.12 C ATOM 406 CE LYS A 24 9.389 -8.818 12.548 1.00 55.20 C ATOM 407 NZ LYS A 24 9.007 -9.522 11.285 1.00 3.32 N ATOM 0 H LYS A 24 4.994 -7.744 11.241 1.00 53.41 H new ATOM 0 HA LYS A 24 4.292 -8.312 13.993 1.00 32.23 H new ATOM 0 HB2 LYS A 24 6.102 -6.231 12.653 1.00 43.21 H new ATOM 0 HB3 LYS A 24 6.112 -6.640 14.356 1.00 43.21 H new ATOM 0 HG2 LYS A 24 6.933 -8.894 13.901 1.00 34.30 H new ATOM 0 HG3 LYS A 24 6.669 -8.711 12.178 1.00 34.30 H new ATOM 0 HD2 LYS A 24 8.447 -6.916 12.134 1.00 14.12 H new ATOM 0 HD3 LYS A 24 8.745 -7.205 13.837 1.00 14.12 H new ATOM 0 HE2 LYS A 24 10.395 -8.411 12.442 1.00 55.20 H new ATOM 0 HE3 LYS A 24 9.421 -9.538 13.365 1.00 55.20 H new ATOM 0 HZ1 LYS A 24 9.861 -9.719 10.725 1.00 3.32 H new ATOM 0 HZ2 LYS A 24 8.531 -10.417 11.517 1.00 3.32 H new ATOM 0 HZ3 LYS A 24 8.363 -8.920 10.733 1.00 3.32 H new ATOM 421 N ALA A 25 3.053 -5.683 12.519 1.00 3.30 N ATOM 422 CA ALA A 25 2.076 -4.587 12.607 1.00 42.43 C ATOM 423 C ALA A 25 0.622 -5.096 12.513 1.00 51.23 C ATOM 424 O ALA A 25 -0.311 -4.313 12.726 1.00 53.31 O ATOM 425 CB ALA A 25 2.381 -3.569 11.498 1.00 72.04 C ATOM 0 H ALA A 25 3.405 -5.832 11.573 1.00 3.30 H new ATOM 0 HA ALA A 25 2.168 -4.110 13.583 1.00 42.43 H new ATOM 0 HB1 ALA A 25 1.665 -2.749 11.550 1.00 72.04 H new ATOM 0 HB2 ALA A 25 3.390 -3.178 11.630 1.00 72.04 H new ATOM 0 HB3 ALA A 25 2.305 -4.056 10.526 1.00 72.04 H new ATOM 431 N ASN A 26 0.455 -6.410 12.190 1.00 43.21 N ATOM 432 CA ASN A 26 -0.861 -7.120 12.105 1.00 43.51 C ATOM 433 C ASN A 26 -1.707 -6.646 10.899 1.00 64.30 C ATOM 434 O ASN A 26 -2.916 -6.896 10.840 1.00 21.32 O ATOM 435 CB ASN A 26 -1.685 -6.994 13.428 1.00 3.21 C ATOM 436 CG ASN A 26 -0.967 -7.556 14.655 1.00 34.25 C ATOM 437 OD1 ASN A 26 -1.136 -8.724 15.006 1.00 51.31 O ATOM 438 ND2 ASN A 26 -0.174 -6.732 15.331 1.00 50.50 N ATOM 0 H ASN A 26 1.245 -7.019 11.977 1.00 43.21 H new ATOM 0 HA ASN A 26 -0.623 -8.173 11.954 1.00 43.51 H new ATOM 0 HB2 ASN A 26 -1.916 -5.943 13.603 1.00 3.21 H new ATOM 0 HB3 ASN A 26 -2.635 -7.513 13.305 1.00 3.21 H new ATOM 0 HD21 ASN A 26 0.313 -7.062 16.164 1.00 50.50 H new ATOM 0 HD22 ASN A 26 -0.053 -5.769 15.017 1.00 50.50 H new ATOM 445 N LEU A 27 -1.050 -6.003 9.921 1.00 55.33 N ATOM 446 CA LEU A 27 -1.720 -5.449 8.721 1.00 52.21 C ATOM 447 C LEU A 27 -1.678 -6.481 7.578 1.00 50.22 C ATOM 448 O LEU A 27 -0.645 -7.131 7.389 1.00 43.33 O ATOM 449 CB LEU A 27 -0.996 -4.139 8.288 1.00 41.33 C ATOM 450 CG LEU A 27 -0.635 -3.145 9.437 1.00 1.40 C ATOM 451 CD1 LEU A 27 0.154 -1.937 8.909 1.00 73.23 C ATOM 452 CD2 LEU A 27 -1.875 -2.698 10.230 1.00 23.42 C ATOM 0 H LEU A 27 -0.042 -5.850 9.934 1.00 55.33 H new ATOM 0 HA LEU A 27 -2.761 -5.225 8.953 1.00 52.21 H new ATOM 0 HB2 LEU A 27 -0.078 -4.410 7.767 1.00 41.33 H new ATOM 0 HB3 LEU A 27 -1.629 -3.618 7.569 1.00 41.33 H new ATOM 0 HG LEU A 27 0.009 -3.686 10.130 1.00 1.40 H new ATOM 0 HD11 LEU A 27 0.388 -1.266 9.735 1.00 73.23 H new ATOM 0 HD12 LEU A 27 1.079 -2.281 8.447 1.00 73.23 H new ATOM 0 HD13 LEU A 27 -0.445 -1.406 8.169 1.00 73.23 H new ATOM 0 HD21 LEU A 27 -1.574 -2.008 11.018 1.00 23.42 H new ATOM 0 HD22 LEU A 27 -2.576 -2.200 9.560 1.00 23.42 H new ATOM 0 HD23 LEU A 27 -2.356 -3.569 10.675 1.00 23.42 H new ATOM 464 N GLU A 28 -2.787 -6.631 6.817 1.00 44.30 N ATOM 465 CA GLU A 28 -2.833 -7.546 5.655 1.00 2.22 C ATOM 466 C GLU A 28 -2.207 -6.842 4.437 1.00 31.42 C ATOM 467 O GLU A 28 -2.719 -5.819 3.984 1.00 43.52 O ATOM 468 CB GLU A 28 -4.282 -8.006 5.313 1.00 65.51 C ATOM 469 CG GLU A 28 -5.019 -8.789 6.425 1.00 44.43 C ATOM 470 CD GLU A 28 -5.523 -7.910 7.581 1.00 24.10 C ATOM 471 OE1 GLU A 28 -6.515 -7.179 7.386 1.00 52.00 O ATOM 472 OE2 GLU A 28 -4.941 -7.951 8.691 1.00 34.31 O ATOM 0 H GLU A 28 -3.660 -6.131 6.987 1.00 44.30 H new ATOM 0 HA GLU A 28 -2.268 -8.442 5.913 1.00 2.22 H new ATOM 0 HB2 GLU A 28 -4.873 -7.125 5.062 1.00 65.51 H new ATOM 0 HB3 GLU A 28 -4.244 -8.629 4.420 1.00 65.51 H new ATOM 0 HG2 GLU A 28 -5.867 -9.313 5.985 1.00 44.43 H new ATOM 0 HG3 GLU A 28 -4.348 -9.549 6.826 1.00 44.43 H new ATOM 479 N LEU A 29 -1.123 -7.419 3.901 1.00 33.40 N ATOM 480 CA LEU A 29 -0.343 -6.807 2.821 1.00 5.02 C ATOM 481 C LEU A 29 -0.587 -7.574 1.517 1.00 74.12 C ATOM 482 O LEU A 29 -0.408 -8.794 1.462 1.00 53.32 O ATOM 483 CB LEU A 29 1.166 -6.759 3.210 1.00 34.03 C ATOM 484 CG LEU A 29 2.136 -6.007 2.208 1.00 71.50 C ATOM 485 CD1 LEU A 29 3.289 -5.304 2.948 1.00 42.04 C ATOM 486 CD2 LEU A 29 2.713 -6.953 1.131 1.00 2.11 C ATOM 0 H LEU A 29 -0.763 -8.324 4.205 1.00 33.40 H new ATOM 0 HA LEU A 29 -0.664 -5.777 2.664 1.00 5.02 H new ATOM 0 HB2 LEU A 29 1.250 -6.283 4.187 1.00 34.03 H new ATOM 0 HB3 LEU A 29 1.521 -7.783 3.323 1.00 34.03 H new ATOM 0 HG LEU A 29 1.526 -5.253 1.710 1.00 71.50 H new ATOM 0 HD11 LEU A 29 3.931 -4.800 2.226 1.00 42.04 H new ATOM 0 HD12 LEU A 29 2.881 -4.571 3.644 1.00 42.04 H new ATOM 0 HD13 LEU A 29 3.872 -6.042 3.499 1.00 42.04 H new ATOM 0 HD21 LEU A 29 3.371 -6.391 0.468 1.00 2.11 H new ATOM 0 HD22 LEU A 29 3.278 -7.751 1.613 1.00 2.11 H new ATOM 0 HD23 LEU A 29 1.897 -7.385 0.551 1.00 2.11 H new ATOM 498 N ARG A 30 -1.004 -6.834 0.480 1.00 71.21 N ATOM 499 CA ARG A 30 -1.230 -7.358 -0.868 1.00 32.42 C ATOM 500 C ARG A 30 -0.116 -6.785 -1.776 1.00 0.41 C ATOM 501 O ARG A 30 0.028 -5.555 -1.870 1.00 4.45 O ATOM 502 CB ARG A 30 -2.612 -6.897 -1.416 1.00 70.35 C ATOM 503 CG ARG A 30 -3.847 -7.077 -0.497 1.00 21.12 C ATOM 504 CD ARG A 30 -4.229 -8.539 -0.225 1.00 33.12 C ATOM 505 NE ARG A 30 -5.630 -8.644 0.235 1.00 72.43 N ATOM 506 CZ ARG A 30 -6.070 -9.257 1.339 1.00 21.33 C ATOM 507 NH1 ARG A 30 -5.233 -9.867 2.180 1.00 71.42 N ATOM 508 NH2 ARG A 30 -7.369 -9.280 1.587 1.00 42.42 N ATOM 0 H ARG A 30 -1.196 -5.835 0.560 1.00 71.21 H new ATOM 0 HA ARG A 30 -1.216 -8.448 -0.849 1.00 32.42 H new ATOM 0 HB2 ARG A 30 -2.536 -5.840 -1.672 1.00 70.35 H new ATOM 0 HB3 ARG A 30 -2.802 -7.437 -2.343 1.00 70.35 H new ATOM 0 HG2 ARG A 30 -3.651 -6.582 0.454 1.00 21.12 H new ATOM 0 HG3 ARG A 30 -4.699 -6.570 -0.951 1.00 21.12 H new ATOM 0 HD2 ARG A 30 -4.095 -9.128 -1.132 1.00 33.12 H new ATOM 0 HD3 ARG A 30 -3.563 -8.958 0.529 1.00 33.12 H new ATOM 0 HE ARG A 30 -6.337 -8.202 -0.353 1.00 72.43 H new ATOM 0 HH11 ARG A 30 -4.231 -9.873 1.988 1.00 71.42 H new ATOM 0 HH12 ARG A 30 -5.595 -10.327 3.015 1.00 71.42 H new ATOM 0 HH21 ARG A 30 -8.020 -8.834 0.940 1.00 42.42 H new ATOM 0 HH22 ARG A 30 -7.720 -9.744 2.425 1.00 42.42 H new ATOM 522 N THR A 31 0.666 -7.658 -2.424 1.00 34.23 N ATOM 523 CA THR A 31 1.740 -7.242 -3.345 1.00 51.31 C ATOM 524 C THR A 31 1.155 -6.962 -4.737 1.00 44.53 C ATOM 525 O THR A 31 0.609 -7.861 -5.386 1.00 31.35 O ATOM 526 CB THR A 31 2.869 -8.320 -3.418 1.00 13.04 C ATOM 527 OG1 THR A 31 2.339 -9.590 -3.836 1.00 14.24 O ATOM 528 CG2 THR A 31 3.551 -8.484 -2.058 1.00 52.23 C ATOM 0 H THR A 31 0.575 -8.669 -2.328 1.00 34.23 H new ATOM 0 HA THR A 31 2.189 -6.325 -2.963 1.00 51.31 H new ATOM 0 HB THR A 31 3.601 -7.979 -4.150 1.00 13.04 H new ATOM 0 HG1 THR A 31 1.628 -9.447 -4.495 1.00 14.24 H new ATOM 0 HG21 THR A 31 4.333 -9.239 -2.132 1.00 52.23 H new ATOM 0 HG22 THR A 31 3.991 -7.534 -1.755 1.00 52.23 H new ATOM 0 HG23 THR A 31 2.815 -8.796 -1.317 1.00 52.23 H new ATOM 536 N VAL A 32 1.250 -5.698 -5.160 1.00 63.04 N ATOM 537 CA VAL A 32 0.669 -5.210 -6.415 1.00 41.12 C ATOM 538 C VAL A 32 1.623 -5.486 -7.589 1.00 31.41 C ATOM 539 O VAL A 32 2.725 -4.933 -7.655 1.00 32.24 O ATOM 540 CB VAL A 32 0.355 -3.681 -6.309 1.00 72.13 C ATOM 541 CG1 VAL A 32 -0.305 -3.145 -7.598 1.00 62.24 C ATOM 542 CG2 VAL A 32 -0.500 -3.386 -5.051 1.00 1.12 C ATOM 0 H VAL A 32 1.739 -4.975 -4.633 1.00 63.04 H new ATOM 0 HA VAL A 32 -0.265 -5.742 -6.598 1.00 41.12 H new ATOM 0 HB VAL A 32 1.299 -3.148 -6.199 1.00 72.13 H new ATOM 0 HG11 VAL A 32 -0.508 -2.080 -7.487 1.00 62.24 H new ATOM 0 HG12 VAL A 32 0.367 -3.300 -8.442 1.00 62.24 H new ATOM 0 HG13 VAL A 32 -1.240 -3.676 -7.776 1.00 62.24 H new ATOM 0 HG21 VAL A 32 -0.708 -2.317 -4.995 1.00 1.12 H new ATOM 0 HG22 VAL A 32 -1.439 -3.936 -5.112 1.00 1.12 H new ATOM 0 HG23 VAL A 32 0.045 -3.697 -4.160 1.00 1.12 H new ATOM 552 N LYS A 33 1.167 -6.350 -8.505 1.00 73.20 N ATOM 553 CA LYS A 33 1.976 -6.895 -9.612 1.00 63.23 C ATOM 554 C LYS A 33 1.747 -6.067 -10.900 1.00 23.42 C ATOM 555 O LYS A 33 2.693 -5.749 -11.635 1.00 61.30 O ATOM 556 CB LYS A 33 1.577 -8.390 -9.798 1.00 15.33 C ATOM 557 CG LYS A 33 1.595 -9.210 -8.471 1.00 24.03 C ATOM 558 CD LYS A 33 1.005 -10.645 -8.590 1.00 1.21 C ATOM 559 CE LYS A 33 1.933 -11.670 -9.274 1.00 72.01 C ATOM 560 NZ LYS A 33 2.223 -11.356 -10.701 1.00 30.13 N ATOM 0 H LYS A 33 0.208 -6.699 -8.501 1.00 73.20 H new ATOM 0 HA LYS A 33 3.041 -6.833 -9.387 1.00 63.23 H new ATOM 0 HB2 LYS A 33 0.579 -8.440 -10.233 1.00 15.33 H new ATOM 0 HB3 LYS A 33 2.259 -8.853 -10.511 1.00 15.33 H new ATOM 0 HG2 LYS A 33 2.624 -9.282 -8.117 1.00 24.03 H new ATOM 0 HG3 LYS A 33 1.035 -8.662 -7.713 1.00 24.03 H new ATOM 0 HD2 LYS A 33 0.761 -11.007 -7.591 1.00 1.21 H new ATOM 0 HD3 LYS A 33 0.070 -10.593 -9.148 1.00 1.21 H new ATOM 0 HE2 LYS A 33 2.873 -11.720 -8.724 1.00 72.01 H new ATOM 0 HE3 LYS A 33 1.476 -12.658 -9.214 1.00 72.01 H new ATOM 0 HZ1 LYS A 33 2.335 -12.241 -11.235 1.00 30.13 H new ATOM 0 HZ2 LYS A 33 1.437 -10.806 -11.102 1.00 30.13 H new ATOM 0 HZ3 LYS A 33 3.100 -10.801 -10.763 1.00 30.13 H new ATOM 574 N THR A 34 0.465 -5.732 -11.147 1.00 74.21 N ATOM 575 CA THR A 34 0.007 -4.867 -12.261 1.00 24.14 C ATOM 576 C THR A 34 -0.940 -3.787 -11.695 1.00 74.40 C ATOM 577 O THR A 34 -1.283 -3.820 -10.507 1.00 12.23 O ATOM 578 CB THR A 34 -0.762 -5.681 -13.375 1.00 50.52 C ATOM 579 OG1 THR A 34 -1.974 -6.239 -12.840 1.00 62.11 O ATOM 580 CG2 THR A 34 0.089 -6.814 -13.974 1.00 55.32 C ATOM 0 H THR A 34 -0.304 -6.063 -10.564 1.00 74.21 H new ATOM 0 HA THR A 34 0.889 -4.422 -12.721 1.00 24.14 H new ATOM 0 HB THR A 34 -0.990 -4.974 -14.173 1.00 50.52 H new ATOM 0 HG1 THR A 34 -2.359 -6.866 -13.487 1.00 62.11 H new ATOM 0 HG21 THR A 34 -0.489 -7.340 -14.734 1.00 55.32 H new ATOM 0 HG22 THR A 34 0.987 -6.394 -14.427 1.00 55.32 H new ATOM 0 HG23 THR A 34 0.372 -7.512 -13.186 1.00 55.32 H new ATOM 588 N GLU A 35 -1.378 -2.842 -12.555 1.00 51.15 N ATOM 589 CA GLU A 35 -2.398 -1.832 -12.177 1.00 64.32 C ATOM 590 C GLU A 35 -3.736 -2.523 -11.838 1.00 2.34 C ATOM 591 O GLU A 35 -4.427 -2.115 -10.911 1.00 33.32 O ATOM 592 CB GLU A 35 -2.602 -0.755 -13.293 1.00 24.43 C ATOM 593 CG GLU A 35 -3.320 -1.219 -14.586 1.00 21.10 C ATOM 594 CD GLU A 35 -2.568 -2.304 -15.384 1.00 60.25 C ATOM 595 OE1 GLU A 35 -1.484 -2.007 -15.920 1.00 63.00 O ATOM 596 OE2 GLU A 35 -3.048 -3.457 -15.461 1.00 21.20 O ATOM 0 H GLU A 35 -1.044 -2.755 -13.515 1.00 51.15 H new ATOM 0 HA GLU A 35 -2.031 -1.312 -11.292 1.00 64.32 H new ATOM 0 HB2 GLU A 35 -3.169 0.073 -12.867 1.00 24.43 H new ATOM 0 HB3 GLU A 35 -1.624 -0.362 -13.569 1.00 24.43 H new ATOM 0 HG2 GLU A 35 -4.307 -1.599 -14.321 1.00 21.10 H new ATOM 0 HG3 GLU A 35 -3.474 -0.354 -15.231 1.00 21.10 H new ATOM 603 N ASP A 36 -4.052 -3.601 -12.595 1.00 44.31 N ATOM 604 CA ASP A 36 -5.279 -4.400 -12.435 1.00 21.32 C ATOM 605 C ASP A 36 -5.327 -5.075 -11.060 1.00 64.14 C ATOM 606 O ASP A 36 -6.414 -5.268 -10.494 1.00 55.13 O ATOM 607 CB ASP A 36 -5.370 -5.451 -13.565 1.00 22.14 C ATOM 608 CG ASP A 36 -6.653 -6.305 -13.496 1.00 13.25 C ATOM 609 OD1 ASP A 36 -7.722 -5.814 -13.915 1.00 12.22 O ATOM 610 OD2 ASP A 36 -6.596 -7.468 -13.039 1.00 21.35 O ATOM 0 H ASP A 36 -3.449 -3.941 -13.344 1.00 44.31 H new ATOM 0 HA ASP A 36 -6.138 -3.732 -12.502 1.00 21.32 H new ATOM 0 HB2 ASP A 36 -5.330 -4.944 -14.529 1.00 22.14 H new ATOM 0 HB3 ASP A 36 -4.501 -6.107 -13.514 1.00 22.14 H new ATOM 615 N GLU A 37 -4.139 -5.416 -10.520 1.00 73.35 N ATOM 616 CA GLU A 37 -4.018 -5.959 -9.165 1.00 44.15 C ATOM 617 C GLU A 37 -4.409 -4.884 -8.129 1.00 5.13 C ATOM 618 O GLU A 37 -5.213 -5.156 -7.248 1.00 31.55 O ATOM 619 CB GLU A 37 -2.581 -6.472 -8.902 1.00 72.10 C ATOM 620 CG GLU A 37 -2.088 -7.558 -9.881 1.00 34.02 C ATOM 621 CD GLU A 37 -2.863 -8.886 -9.819 1.00 55.10 C ATOM 622 OE1 GLU A 37 -3.873 -9.043 -10.540 1.00 32.32 O ATOM 623 OE2 GLU A 37 -2.453 -9.794 -9.060 1.00 45.20 O ATOM 0 H GLU A 37 -3.250 -5.322 -11.010 1.00 73.35 H new ATOM 0 HA GLU A 37 -4.699 -6.805 -9.069 1.00 44.15 H new ATOM 0 HB2 GLU A 37 -1.895 -5.626 -8.946 1.00 72.10 H new ATOM 0 HB3 GLU A 37 -2.533 -6.869 -7.888 1.00 72.10 H new ATOM 0 HG2 GLU A 37 -2.148 -7.166 -10.896 1.00 34.02 H new ATOM 0 HG3 GLU A 37 -1.036 -7.758 -9.679 1.00 34.02 H new ATOM 630 N LEU A 38 -3.867 -3.650 -8.291 1.00 44.44 N ATOM 631 CA LEU A 38 -4.142 -2.502 -7.381 1.00 3.13 C ATOM 632 C LEU A 38 -5.665 -2.240 -7.329 1.00 24.14 C ATOM 633 O LEU A 38 -6.255 -2.116 -6.249 1.00 14.33 O ATOM 634 CB LEU A 38 -3.349 -1.237 -7.882 1.00 62.31 C ATOM 635 CG LEU A 38 -3.148 -0.021 -6.890 1.00 50.41 C ATOM 636 CD1 LEU A 38 -4.416 0.827 -6.683 1.00 61.12 C ATOM 637 CD2 LEU A 38 -2.586 -0.496 -5.537 1.00 73.22 C ATOM 0 H LEU A 38 -3.229 -3.421 -9.053 1.00 44.44 H new ATOM 0 HA LEU A 38 -3.806 -2.731 -6.370 1.00 3.13 H new ATOM 0 HB2 LEU A 38 -2.361 -1.571 -8.199 1.00 62.31 H new ATOM 0 HB3 LEU A 38 -3.857 -0.859 -8.769 1.00 62.31 H new ATOM 0 HG LEU A 38 -2.420 0.633 -7.370 1.00 50.41 H new ATOM 0 HD11 LEU A 38 -4.200 1.641 -5.991 1.00 61.12 H new ATOM 0 HD12 LEU A 38 -4.738 1.239 -7.639 1.00 61.12 H new ATOM 0 HD13 LEU A 38 -5.209 0.202 -6.272 1.00 61.12 H new ATOM 0 HD21 LEU A 38 -2.458 0.361 -4.875 1.00 73.22 H new ATOM 0 HD22 LEU A 38 -3.279 -1.204 -5.084 1.00 73.22 H new ATOM 0 HD23 LEU A 38 -1.622 -0.981 -5.693 1.00 73.22 H new ATOM 649 N LYS A 39 -6.267 -2.219 -8.531 1.00 41.24 N ATOM 650 CA LYS A 39 -7.703 -1.988 -8.744 1.00 10.02 C ATOM 651 C LYS A 39 -8.572 -3.062 -8.061 1.00 24.41 C ATOM 652 O LYS A 39 -9.494 -2.720 -7.314 1.00 41.44 O ATOM 653 CB LYS A 39 -7.983 -1.940 -10.272 1.00 14.40 C ATOM 654 CG LYS A 39 -7.294 -0.767 -11.009 1.00 1.34 C ATOM 655 CD LYS A 39 -7.308 -0.866 -12.564 1.00 13.35 C ATOM 656 CE LYS A 39 -8.700 -0.704 -13.208 1.00 31.12 C ATOM 657 NZ LYS A 39 -9.545 -1.924 -13.099 1.00 1.14 N ATOM 0 H LYS A 39 -5.755 -2.366 -9.401 1.00 41.24 H new ATOM 0 HA LYS A 39 -7.972 -1.036 -8.287 1.00 10.02 H new ATOM 0 HB2 LYS A 39 -7.654 -2.878 -10.719 1.00 14.40 H new ATOM 0 HB3 LYS A 39 -9.059 -1.871 -10.430 1.00 14.40 H new ATOM 0 HG2 LYS A 39 -7.781 0.163 -10.715 1.00 1.34 H new ATOM 0 HG3 LYS A 39 -6.259 -0.705 -10.673 1.00 1.34 H new ATOM 0 HD2 LYS A 39 -6.644 -0.102 -12.969 1.00 13.35 H new ATOM 0 HD3 LYS A 39 -6.898 -1.832 -12.857 1.00 13.35 H new ATOM 0 HE2 LYS A 39 -9.217 0.131 -12.734 1.00 31.12 H new ATOM 0 HE3 LYS A 39 -8.578 -0.448 -14.260 1.00 31.12 H new ATOM 0 HZ1 LYS A 39 -10.105 -2.037 -13.968 1.00 1.14 H new ATOM 0 HZ2 LYS A 39 -8.937 -2.757 -12.968 1.00 1.14 H new ATOM 0 HZ3 LYS A 39 -10.185 -1.831 -12.284 1.00 1.14 H new ATOM 671 N LYS A 40 -8.248 -4.358 -8.306 1.00 52.12 N ATOM 672 CA LYS A 40 -9.041 -5.488 -7.771 1.00 32.52 C ATOM 673 C LYS A 40 -8.974 -5.535 -6.228 1.00 62.01 C ATOM 674 O LYS A 40 -9.959 -5.908 -5.582 1.00 4.03 O ATOM 675 CB LYS A 40 -8.607 -6.858 -8.389 1.00 65.44 C ATOM 676 CG LYS A 40 -7.317 -7.474 -7.798 1.00 20.44 C ATOM 677 CD LYS A 40 -6.900 -8.817 -8.445 1.00 1.21 C ATOM 678 CE LYS A 40 -5.723 -9.480 -7.708 1.00 63.14 C ATOM 679 NZ LYS A 40 -5.257 -10.718 -8.385 1.00 73.53 N ATOM 0 H LYS A 40 -7.446 -4.642 -8.869 1.00 52.12 H new ATOM 0 HA LYS A 40 -10.077 -5.315 -8.064 1.00 32.52 H new ATOM 0 HB2 LYS A 40 -9.422 -7.570 -8.259 1.00 65.44 H new ATOM 0 HB3 LYS A 40 -8.467 -6.725 -9.462 1.00 65.44 H new ATOM 0 HG2 LYS A 40 -6.501 -6.760 -7.913 1.00 20.44 H new ATOM 0 HG3 LYS A 40 -7.458 -7.628 -6.728 1.00 20.44 H new ATOM 0 HD2 LYS A 40 -7.753 -9.496 -8.448 1.00 1.21 H new ATOM 0 HD3 LYS A 40 -6.624 -8.646 -9.486 1.00 1.21 H new ATOM 0 HE2 LYS A 40 -4.896 -8.773 -7.639 1.00 63.14 H new ATOM 0 HE3 LYS A 40 -6.024 -9.718 -6.688 1.00 63.14 H new ATOM 0 HZ1 LYS A 40 -5.462 -11.541 -7.783 1.00 73.53 H new ATOM 0 HZ2 LYS A 40 -5.750 -10.823 -9.295 1.00 73.53 H new ATOM 0 HZ3 LYS A 40 -4.232 -10.658 -8.552 1.00 73.53 H new ATOM 693 N TYR A 41 -7.811 -5.127 -5.651 1.00 32.23 N ATOM 694 CA TYR A 41 -7.630 -5.043 -4.185 1.00 21.43 C ATOM 695 C TYR A 41 -8.564 -3.983 -3.611 1.00 53.44 C ATOM 696 O TYR A 41 -9.236 -4.219 -2.615 1.00 64.10 O ATOM 697 CB TYR A 41 -6.163 -4.708 -3.787 1.00 71.41 C ATOM 698 CG TYR A 41 -5.114 -5.734 -4.238 1.00 53.12 C ATOM 699 CD1 TYR A 41 -5.421 -7.094 -4.345 1.00 72.25 C ATOM 700 CD2 TYR A 41 -3.809 -5.339 -4.568 1.00 12.01 C ATOM 701 CE1 TYR A 41 -4.482 -8.005 -4.773 1.00 65.45 C ATOM 702 CE2 TYR A 41 -2.867 -6.258 -4.995 1.00 51.11 C ATOM 703 CZ TYR A 41 -3.208 -7.587 -5.095 1.00 44.03 C ATOM 704 OH TYR A 41 -2.282 -8.511 -5.535 1.00 12.20 O ATOM 0 H TYR A 41 -6.987 -4.852 -6.185 1.00 32.23 H new ATOM 0 HA TYR A 41 -7.869 -6.023 -3.773 1.00 21.43 H new ATOM 0 HB2 TYR A 41 -5.902 -3.737 -4.207 1.00 71.41 H new ATOM 0 HB3 TYR A 41 -6.111 -4.611 -2.703 1.00 71.41 H new ATOM 0 HD1 TYR A 41 -6.413 -7.436 -4.087 1.00 72.25 H new ATOM 0 HD2 TYR A 41 -3.534 -4.298 -4.487 1.00 12.01 H new ATOM 0 HE1 TYR A 41 -4.744 -9.049 -4.857 1.00 65.45 H new ATOM 0 HE2 TYR A 41 -1.869 -5.934 -5.249 1.00 51.11 H new ATOM 0 HH TYR A 41 -1.378 -8.155 -5.406 1.00 12.20 H new ATOM 714 N LEU A 42 -8.600 -2.810 -4.269 1.00 25.34 N ATOM 715 CA LEU A 42 -9.486 -1.706 -3.873 1.00 35.02 C ATOM 716 C LEU A 42 -10.974 -2.122 -3.935 1.00 33.44 C ATOM 717 O LEU A 42 -11.724 -1.799 -3.025 1.00 70.13 O ATOM 718 CB LEU A 42 -9.235 -0.455 -4.742 1.00 11.40 C ATOM 719 CG LEU A 42 -7.834 0.223 -4.610 1.00 30.02 C ATOM 720 CD1 LEU A 42 -7.733 1.439 -5.550 1.00 70.22 C ATOM 721 CD2 LEU A 42 -7.521 0.620 -3.145 1.00 30.02 C ATOM 0 H LEU A 42 -8.020 -2.604 -5.083 1.00 25.34 H new ATOM 0 HA LEU A 42 -9.252 -1.457 -2.838 1.00 35.02 H new ATOM 0 HB2 LEU A 42 -9.382 -0.731 -5.786 1.00 11.40 H new ATOM 0 HB3 LEU A 42 -9.996 0.286 -4.498 1.00 11.40 H new ATOM 0 HG LEU A 42 -7.082 -0.507 -4.909 1.00 30.02 H new ATOM 0 HD11 LEU A 42 -6.751 1.899 -5.445 1.00 70.22 H new ATOM 0 HD12 LEU A 42 -7.873 1.115 -6.581 1.00 70.22 H new ATOM 0 HD13 LEU A 42 -8.503 2.165 -5.290 1.00 70.22 H new ATOM 0 HD21 LEU A 42 -6.538 1.088 -3.097 1.00 30.02 H new ATOM 0 HD22 LEU A 42 -8.275 1.322 -2.789 1.00 30.02 H new ATOM 0 HD23 LEU A 42 -7.530 -0.271 -2.517 1.00 30.02 H new ATOM 733 N GLU A 43 -11.368 -2.865 -5.000 1.00 44.04 N ATOM 734 CA GLU A 43 -12.746 -3.416 -5.159 1.00 74.10 C ATOM 735 C GLU A 43 -13.119 -4.345 -3.985 1.00 64.34 C ATOM 736 O GLU A 43 -14.242 -4.302 -3.467 1.00 2.10 O ATOM 737 CB GLU A 43 -12.873 -4.181 -6.501 1.00 0.14 C ATOM 738 CG GLU A 43 -12.719 -3.297 -7.746 1.00 62.03 C ATOM 739 CD GLU A 43 -12.834 -4.085 -9.054 1.00 32.12 C ATOM 740 OE1 GLU A 43 -13.972 -4.296 -9.532 1.00 73.54 O ATOM 741 OE2 GLU A 43 -11.791 -4.499 -9.613 1.00 71.10 O ATOM 0 H GLU A 43 -10.745 -3.101 -5.772 1.00 44.04 H new ATOM 0 HA GLU A 43 -13.440 -2.575 -5.161 1.00 74.10 H new ATOM 0 HB2 GLU A 43 -12.118 -4.967 -6.531 1.00 0.14 H new ATOM 0 HB3 GLU A 43 -13.846 -4.672 -6.536 1.00 0.14 H new ATOM 0 HG2 GLU A 43 -13.481 -2.518 -7.729 1.00 62.03 H new ATOM 0 HG3 GLU A 43 -11.751 -2.797 -7.713 1.00 62.03 H new ATOM 748 N GLU A 44 -12.134 -5.151 -3.579 1.00 42.42 N ATOM 749 CA GLU A 44 -12.208 -6.053 -2.422 1.00 4.11 C ATOM 750 C GLU A 44 -12.410 -5.246 -1.114 1.00 45.33 C ATOM 751 O GLU A 44 -13.070 -5.711 -0.185 1.00 71.13 O ATOM 752 CB GLU A 44 -10.895 -6.883 -2.398 1.00 54.23 C ATOM 753 CG GLU A 44 -10.712 -7.857 -1.229 1.00 12.40 C ATOM 754 CD GLU A 44 -9.363 -8.589 -1.304 1.00 51.23 C ATOM 755 OE1 GLU A 44 -8.338 -8.000 -0.902 1.00 23.24 O ATOM 756 OE2 GLU A 44 -9.315 -9.741 -1.791 1.00 13.43 O ATOM 0 H GLU A 44 -11.235 -5.197 -4.059 1.00 42.42 H new ATOM 0 HA GLU A 44 -13.063 -6.724 -2.502 1.00 4.11 H new ATOM 0 HB2 GLU A 44 -10.836 -7.452 -3.326 1.00 54.23 H new ATOM 0 HB3 GLU A 44 -10.055 -6.189 -2.396 1.00 54.23 H new ATOM 0 HG2 GLU A 44 -10.778 -7.312 -0.287 1.00 12.40 H new ATOM 0 HG3 GLU A 44 -11.522 -8.586 -1.233 1.00 12.40 H new ATOM 763 N PHE A 45 -11.817 -4.039 -1.058 1.00 31.04 N ATOM 764 CA PHE A 45 -11.953 -3.117 0.096 1.00 4.24 C ATOM 765 C PHE A 45 -13.227 -2.246 0.017 1.00 75.23 C ATOM 766 O PHE A 45 -13.646 -1.701 1.033 1.00 52.33 O ATOM 767 CB PHE A 45 -10.697 -2.199 0.194 1.00 51.13 C ATOM 768 CG PHE A 45 -9.341 -2.928 0.188 1.00 22.10 C ATOM 769 CD1 PHE A 45 -9.214 -4.265 0.594 1.00 22.42 C ATOM 770 CD2 PHE A 45 -8.194 -2.276 -0.268 1.00 33.45 C ATOM 771 CE1 PHE A 45 -7.994 -4.910 0.544 1.00 75.33 C ATOM 772 CE2 PHE A 45 -6.979 -2.926 -0.315 1.00 32.25 C ATOM 773 CZ PHE A 45 -6.878 -4.242 0.088 1.00 20.04 C ATOM 0 H PHE A 45 -11.230 -3.672 -1.807 1.00 31.04 H new ATOM 0 HA PHE A 45 -12.038 -3.736 0.989 1.00 4.24 H new ATOM 0 HB2 PHE A 45 -10.716 -1.497 -0.639 1.00 51.13 H new ATOM 0 HB3 PHE A 45 -10.769 -1.610 1.109 1.00 51.13 H new ATOM 0 HD1 PHE A 45 -10.083 -4.798 0.951 1.00 22.42 H new ATOM 0 HD2 PHE A 45 -8.259 -1.247 -0.589 1.00 33.45 H new ATOM 0 HE1 PHE A 45 -7.914 -5.939 0.863 1.00 75.33 H new ATOM 0 HE2 PHE A 45 -6.103 -2.403 -0.669 1.00 32.25 H new ATOM 0 HZ PHE A 45 -5.925 -4.748 0.046 1.00 20.04 H new ATOM 783 N ARG A 46 -13.824 -2.109 -1.193 1.00 5.25 N ATOM 784 CA ARG A 46 -15.017 -1.244 -1.414 1.00 2.12 C ATOM 785 C ARG A 46 -16.245 -1.768 -0.658 1.00 71.02 C ATOM 786 O ARG A 46 -16.986 -0.989 -0.051 1.00 23.33 O ATOM 787 CB ARG A 46 -15.365 -1.105 -2.923 1.00 35.14 C ATOM 788 CG ARG A 46 -14.344 -0.300 -3.750 1.00 61.43 C ATOM 789 CD ARG A 46 -14.813 -0.038 -5.187 1.00 35.12 C ATOM 790 NE ARG A 46 -16.030 0.785 -5.220 1.00 3.15 N ATOM 791 CZ ARG A 46 -16.340 1.685 -6.161 1.00 31.22 C ATOM 792 NH1 ARG A 46 -15.520 1.929 -7.187 1.00 40.32 N ATOM 793 NH2 ARG A 46 -17.487 2.334 -6.069 1.00 2.35 N ATOM 0 H ARG A 46 -13.500 -2.586 -2.034 1.00 5.25 H new ATOM 0 HA ARG A 46 -14.753 -0.261 -1.025 1.00 2.12 H new ATOM 0 HB2 ARG A 46 -15.455 -2.102 -3.354 1.00 35.14 H new ATOM 0 HB3 ARG A 46 -16.341 -0.629 -3.014 1.00 35.14 H new ATOM 0 HG2 ARG A 46 -14.154 0.653 -3.256 1.00 61.43 H new ATOM 0 HG3 ARG A 46 -13.398 -0.840 -3.775 1.00 61.43 H new ATOM 0 HD2 ARG A 46 -14.020 0.462 -5.743 1.00 35.12 H new ATOM 0 HD3 ARG A 46 -15.002 -0.988 -5.687 1.00 35.12 H new ATOM 0 HE ARG A 46 -16.697 0.659 -4.459 1.00 3.15 H new ATOM 0 HH11 ARG A 46 -14.637 1.425 -7.265 1.00 40.32 H new ATOM 0 HH12 ARG A 46 -15.777 2.619 -7.892 1.00 40.32 H new ATOM 0 HH21 ARG A 46 -18.119 2.145 -5.291 1.00 2.35 H new ATOM 0 HH22 ARG A 46 -17.741 3.024 -6.776 1.00 2.35 H new ATOM 807 N LYS A 47 -16.426 -3.099 -0.691 1.00 42.05 N ATOM 808 CA LYS A 47 -17.558 -3.789 -0.028 1.00 54.31 C ATOM 809 C LYS A 47 -17.574 -3.532 1.499 1.00 60.25 C ATOM 810 O LYS A 47 -18.619 -3.643 2.143 1.00 34.52 O ATOM 811 CB LYS A 47 -17.488 -5.310 -0.326 1.00 3.45 C ATOM 812 CG LYS A 47 -16.209 -5.999 0.198 1.00 63.43 C ATOM 813 CD LYS A 47 -16.111 -7.496 -0.183 1.00 34.41 C ATOM 814 CE LYS A 47 -17.250 -8.356 0.396 1.00 2.24 C ATOM 815 NZ LYS A 47 -17.074 -9.794 0.050 1.00 24.31 N ATOM 0 H LYS A 47 -15.793 -3.733 -1.178 1.00 42.05 H new ATOM 0 HA LYS A 47 -18.486 -3.384 -0.431 1.00 54.31 H new ATOM 0 HB2 LYS A 47 -18.357 -5.796 0.117 1.00 3.45 H new ATOM 0 HB3 LYS A 47 -17.553 -5.461 -1.403 1.00 3.45 H new ATOM 0 HG2 LYS A 47 -15.337 -5.475 -0.194 1.00 63.43 H new ATOM 0 HG3 LYS A 47 -16.175 -5.906 1.283 1.00 63.43 H new ATOM 0 HD2 LYS A 47 -16.115 -7.587 -1.269 1.00 34.41 H new ATOM 0 HD3 LYS A 47 -15.156 -7.889 0.166 1.00 34.41 H new ATOM 0 HE2 LYS A 47 -17.280 -8.242 1.480 1.00 2.24 H new ATOM 0 HE3 LYS A 47 -18.207 -8.002 0.012 1.00 2.24 H new ATOM 0 HZ1 LYS A 47 -17.857 -10.347 0.454 1.00 24.31 H new ATOM 0 HZ2 LYS A 47 -17.070 -9.904 -0.984 1.00 24.31 H new ATOM 0 HZ3 LYS A 47 -16.172 -10.137 0.438 1.00 24.31 H new ATOM 829 N GLU A 48 -16.399 -3.175 2.052 1.00 54.30 N ATOM 830 CA GLU A 48 -16.225 -2.835 3.476 1.00 21.22 C ATOM 831 C GLU A 48 -15.410 -1.532 3.607 1.00 72.42 C ATOM 832 O GLU A 48 -14.564 -1.394 4.498 1.00 0.43 O ATOM 833 CB GLU A 48 -15.554 -4.036 4.214 1.00 1.31 C ATOM 834 CG GLU A 48 -14.206 -4.506 3.612 1.00 44.44 C ATOM 835 CD GLU A 48 -13.632 -5.736 4.334 1.00 14.21 C ATOM 836 OE1 GLU A 48 -12.947 -5.569 5.366 1.00 50.30 O ATOM 837 OE2 GLU A 48 -13.893 -6.878 3.886 1.00 25.20 O ATOM 0 H GLU A 48 -15.534 -3.114 1.515 1.00 54.30 H new ATOM 0 HA GLU A 48 -17.192 -2.656 3.946 1.00 21.22 H new ATOM 0 HB2 GLU A 48 -15.392 -3.758 5.255 1.00 1.31 H new ATOM 0 HB3 GLU A 48 -16.248 -4.877 4.213 1.00 1.31 H new ATOM 0 HG2 GLU A 48 -14.346 -4.741 2.557 1.00 44.44 H new ATOM 0 HG3 GLU A 48 -13.485 -3.690 3.664 1.00 44.44 H new ATOM 844 N SER A 49 -15.740 -0.536 2.742 1.00 51.03 N ATOM 845 CA SER A 49 -15.060 0.787 2.713 1.00 52.43 C ATOM 846 C SER A 49 -15.395 1.674 3.942 1.00 64.12 C ATOM 847 O SER A 49 -14.959 2.833 4.013 1.00 63.13 O ATOM 848 CB SER A 49 -15.381 1.533 1.398 1.00 75.23 C ATOM 849 OG SER A 49 -16.783 1.668 1.193 1.00 74.52 O ATOM 0 H SER A 49 -16.482 -0.627 2.048 1.00 51.03 H new ATOM 0 HA SER A 49 -13.990 0.587 2.761 1.00 52.43 H new ATOM 0 HB2 SER A 49 -14.920 2.521 1.419 1.00 75.23 H new ATOM 0 HB3 SER A 49 -14.942 0.994 0.558 1.00 75.23 H new ATOM 0 HG SER A 49 -17.127 0.867 0.745 1.00 74.52 H new ATOM 855 N GLN A 50 -16.181 1.132 4.891 1.00 55.35 N ATOM 856 CA GLN A 50 -16.388 1.735 6.223 1.00 23.05 C ATOM 857 C GLN A 50 -15.359 1.171 7.213 1.00 54.22 C ATOM 858 O GLN A 50 -14.958 0.010 7.089 1.00 22.22 O ATOM 859 CB GLN A 50 -17.852 1.494 6.701 1.00 74.32 C ATOM 860 CG GLN A 50 -18.353 0.020 6.725 1.00 72.34 C ATOM 861 CD GLN A 50 -18.169 -0.700 8.064 1.00 1.03 C ATOM 862 OE1 GLN A 50 -19.028 -0.617 8.942 1.00 2.32 O ATOM 863 NE2 GLN A 50 -17.070 -1.421 8.232 1.00 45.41 N ATOM 0 H GLN A 50 -16.693 0.260 4.756 1.00 55.35 H new ATOM 0 HA GLN A 50 -16.239 2.813 6.166 1.00 23.05 H new ATOM 0 HB2 GLN A 50 -17.952 1.902 7.707 1.00 74.32 H new ATOM 0 HB3 GLN A 50 -18.518 2.068 6.056 1.00 74.32 H new ATOM 0 HG2 GLN A 50 -19.411 0.007 6.464 1.00 72.34 H new ATOM 0 HG3 GLN A 50 -17.827 -0.540 5.952 1.00 72.34 H new ATOM 0 HE21 GLN A 50 -16.375 -1.472 7.487 1.00 45.41 H new ATOM 0 HE22 GLN A 50 -16.919 -1.925 9.106 1.00 45.41 H new ATOM 872 N ASN A 51 -14.901 2.026 8.150 1.00 1.12 N ATOM 873 CA ASN A 51 -13.963 1.660 9.245 1.00 1.40 C ATOM 874 C ASN A 51 -12.636 1.080 8.714 1.00 22.52 C ATOM 875 O ASN A 51 -11.893 0.427 9.455 1.00 72.52 O ATOM 876 CB ASN A 51 -14.636 0.677 10.266 1.00 34.11 C ATOM 877 CG ASN A 51 -15.840 1.292 10.989 1.00 34.02 C ATOM 878 OD1 ASN A 51 -15.899 2.505 11.204 1.00 71.43 O ATOM 879 ND2 ASN A 51 -16.783 0.465 11.417 1.00 44.53 N ATOM 0 H ASN A 51 -15.174 3.009 8.172 1.00 1.12 H new ATOM 0 HA ASN A 51 -13.720 2.584 9.770 1.00 1.40 H new ATOM 0 HB2 ASN A 51 -14.957 -0.222 9.739 1.00 34.11 H new ATOM 0 HB3 ASN A 51 -13.896 0.367 11.004 1.00 34.11 H new ATOM 0 HD21 ASN A 51 -17.582 0.828 11.938 1.00 44.53 H new ATOM 0 HD22 ASN A 51 -16.710 -0.534 11.226 1.00 44.53 H new ATOM 886 N ILE A 52 -12.317 1.377 7.440 1.00 5.24 N ATOM 887 CA ILE A 52 -11.117 0.870 6.769 1.00 14.32 C ATOM 888 C ILE A 52 -10.144 2.025 6.519 1.00 41.52 C ATOM 889 O ILE A 52 -10.554 3.183 6.425 1.00 61.41 O ATOM 890 CB ILE A 52 -11.467 0.139 5.403 1.00 25.32 C ATOM 891 CG1 ILE A 52 -10.294 -0.792 4.940 1.00 43.20 C ATOM 892 CG2 ILE A 52 -11.836 1.141 4.276 1.00 15.33 C ATOM 893 CD1 ILE A 52 -10.643 -1.729 3.797 1.00 13.42 C ATOM 0 H ILE A 52 -12.891 1.979 6.849 1.00 5.24 H new ATOM 0 HA ILE A 52 -10.651 0.131 7.421 1.00 14.32 H new ATOM 0 HB ILE A 52 -12.346 -0.476 5.597 1.00 25.32 H new ATOM 0 HG12 ILE A 52 -9.452 -0.170 4.638 1.00 43.20 H new ATOM 0 HG13 ILE A 52 -9.962 -1.387 5.791 1.00 43.20 H new ATOM 0 HG21 ILE A 52 -12.067 0.593 3.363 1.00 15.33 H new ATOM 0 HG22 ILE A 52 -12.705 1.725 4.578 1.00 15.33 H new ATOM 0 HG23 ILE A 52 -10.995 1.810 4.094 1.00 15.33 H new ATOM 0 HD11 ILE A 52 -9.772 -2.334 3.544 1.00 13.42 H new ATOM 0 HD12 ILE A 52 -11.463 -2.381 4.098 1.00 13.42 H new ATOM 0 HD13 ILE A 52 -10.944 -1.145 2.927 1.00 13.42 H new ATOM 905 N LYS A 53 -8.856 1.700 6.480 1.00 3.20 N ATOM 906 CA LYS A 53 -7.816 2.574 5.951 1.00 24.42 C ATOM 907 C LYS A 53 -6.938 1.715 5.049 1.00 44.15 C ATOM 908 O LYS A 53 -6.610 0.570 5.402 1.00 61.15 O ATOM 909 CB LYS A 53 -6.955 3.211 7.070 1.00 33.23 C ATOM 910 CG LYS A 53 -7.725 3.993 8.155 1.00 14.11 C ATOM 911 CD LYS A 53 -6.781 4.797 9.084 1.00 32.34 C ATOM 912 CE LYS A 53 -5.658 3.949 9.691 1.00 22.12 C ATOM 913 NZ LYS A 53 -4.715 4.768 10.478 1.00 42.44 N ATOM 0 H LYS A 53 -8.500 0.807 6.821 1.00 3.20 H new ATOM 0 HA LYS A 53 -8.276 3.400 5.409 1.00 24.42 H new ATOM 0 HB2 LYS A 53 -6.384 2.420 7.557 1.00 33.23 H new ATOM 0 HB3 LYS A 53 -6.234 3.885 6.607 1.00 33.23 H new ATOM 0 HG2 LYS A 53 -8.428 4.675 7.677 1.00 14.11 H new ATOM 0 HG3 LYS A 53 -8.313 3.297 8.753 1.00 14.11 H new ATOM 0 HD2 LYS A 53 -6.341 5.619 8.519 1.00 32.34 H new ATOM 0 HD3 LYS A 53 -7.367 5.241 9.889 1.00 32.34 H new ATOM 0 HE2 LYS A 53 -6.090 3.178 10.329 1.00 22.12 H new ATOM 0 HE3 LYS A 53 -5.118 3.438 8.894 1.00 22.12 H new ATOM 0 HZ1 LYS A 53 -3.869 4.206 10.700 1.00 42.44 H new ATOM 0 HZ2 LYS A 53 -4.439 5.606 9.927 1.00 42.44 H new ATOM 0 HZ3 LYS A 53 -5.172 5.070 11.362 1.00 42.44 H new ATOM 927 N VAL A 54 -6.584 2.249 3.881 1.00 50.44 N ATOM 928 CA VAL A 54 -5.668 1.593 2.938 1.00 41.24 C ATOM 929 C VAL A 54 -4.364 2.404 2.859 1.00 62.25 C ATOM 930 O VAL A 54 -4.396 3.629 2.826 1.00 23.10 O ATOM 931 CB VAL A 54 -6.330 1.454 1.515 1.00 74.20 C ATOM 932 CG1 VAL A 54 -5.382 0.772 0.495 1.00 62.32 C ATOM 933 CG2 VAL A 54 -7.681 0.703 1.612 1.00 54.14 C ATOM 0 H VAL A 54 -6.925 3.154 3.557 1.00 50.44 H new ATOM 0 HA VAL A 54 -5.446 0.587 3.293 1.00 41.24 H new ATOM 0 HB VAL A 54 -6.522 2.461 1.144 1.00 74.20 H new ATOM 0 HG11 VAL A 54 -5.880 0.698 -0.472 1.00 62.32 H new ATOM 0 HG12 VAL A 54 -4.473 1.365 0.390 1.00 62.32 H new ATOM 0 HG13 VAL A 54 -5.125 -0.227 0.849 1.00 62.32 H new ATOM 0 HG21 VAL A 54 -8.122 0.618 0.619 1.00 54.14 H new ATOM 0 HG22 VAL A 54 -7.515 -0.293 2.022 1.00 54.14 H new ATOM 0 HG23 VAL A 54 -8.358 1.255 2.263 1.00 54.14 H new ATOM 943 N LEU A 55 -3.231 1.706 2.914 1.00 52.21 N ATOM 944 CA LEU A 55 -1.888 2.268 2.704 1.00 54.14 C ATOM 945 C LEU A 55 -1.351 1.723 1.374 1.00 0.42 C ATOM 946 O LEU A 55 -1.604 0.572 1.054 1.00 52.53 O ATOM 947 CB LEU A 55 -0.968 1.852 3.886 1.00 53.45 C ATOM 948 CG LEU A 55 0.519 2.341 3.843 1.00 3.01 C ATOM 949 CD1 LEU A 55 0.627 3.876 3.838 1.00 51.01 C ATOM 950 CD2 LEU A 55 1.336 1.730 5.002 1.00 54.30 C ATOM 0 H LEU A 55 -3.216 0.705 3.111 1.00 52.21 H new ATOM 0 HA LEU A 55 -1.919 3.357 2.665 1.00 54.14 H new ATOM 0 HB2 LEU A 55 -1.417 2.219 4.809 1.00 53.45 H new ATOM 0 HB3 LEU A 55 -0.964 0.764 3.944 1.00 53.45 H new ATOM 0 HG LEU A 55 0.944 1.990 2.903 1.00 3.01 H new ATOM 0 HD11 LEU A 55 1.677 4.167 3.808 1.00 51.01 H new ATOM 0 HD12 LEU A 55 0.115 4.274 2.962 1.00 51.01 H new ATOM 0 HD13 LEU A 55 0.166 4.276 4.741 1.00 51.01 H new ATOM 0 HD21 LEU A 55 2.365 2.086 4.949 1.00 54.30 H new ATOM 0 HD22 LEU A 55 0.897 2.029 5.954 1.00 54.30 H new ATOM 0 HD23 LEU A 55 1.323 0.643 4.923 1.00 54.30 H new ATOM 962 N ILE A 56 -0.694 2.569 0.567 1.00 12.24 N ATOM 963 CA ILE A 56 0.002 2.147 -0.667 1.00 74.34 C ATOM 964 C ILE A 56 1.437 2.709 -0.654 1.00 73.55 C ATOM 965 O ILE A 56 1.618 3.923 -0.565 1.00 34.00 O ATOM 966 CB ILE A 56 -0.745 2.622 -1.985 1.00 54.54 C ATOM 967 CG1 ILE A 56 -2.209 2.072 -2.031 1.00 20.22 C ATOM 968 CG2 ILE A 56 0.044 2.188 -3.246 1.00 12.34 C ATOM 969 CD1 ILE A 56 -3.031 2.484 -3.245 1.00 63.33 C ATOM 0 H ILE A 56 -0.628 3.570 0.749 1.00 12.24 H new ATOM 0 HA ILE A 56 0.014 1.057 -0.682 1.00 74.34 H new ATOM 0 HB ILE A 56 -0.796 3.711 -1.970 1.00 54.54 H new ATOM 0 HG12 ILE A 56 -2.170 0.983 -1.994 1.00 20.22 H new ATOM 0 HG13 ILE A 56 -2.730 2.403 -1.133 1.00 20.22 H new ATOM 0 HG21 ILE A 56 -0.484 2.523 -4.139 1.00 12.34 H new ATOM 0 HG22 ILE A 56 1.039 2.634 -3.224 1.00 12.34 H new ATOM 0 HG23 ILE A 56 0.133 1.102 -3.263 1.00 12.34 H new ATOM 0 HD11 ILE A 56 -4.027 2.048 -3.175 1.00 63.33 H new ATOM 0 HD12 ILE A 56 -3.112 3.570 -3.278 1.00 63.33 H new ATOM 0 HD13 ILE A 56 -2.543 2.129 -4.153 1.00 63.33 H new ATOM 981 N LEU A 57 2.447 1.815 -0.721 1.00 64.54 N ATOM 982 CA LEU A 57 3.868 2.197 -0.839 1.00 14.23 C ATOM 983 C LEU A 57 4.298 1.959 -2.285 1.00 51.41 C ATOM 984 O LEU A 57 4.308 0.815 -2.745 1.00 32.34 O ATOM 985 CB LEU A 57 4.792 1.373 0.121 1.00 35.05 C ATOM 986 CG LEU A 57 4.539 1.507 1.663 1.00 4.43 C ATOM 987 CD1 LEU A 57 4.361 2.981 2.088 1.00 72.55 C ATOM 988 CD2 LEU A 57 3.363 0.625 2.133 1.00 32.25 C ATOM 0 H LEU A 57 2.298 0.806 -0.695 1.00 64.54 H new ATOM 0 HA LEU A 57 3.970 3.245 -0.556 1.00 14.23 H new ATOM 0 HB2 LEU A 57 4.699 0.320 -0.145 1.00 35.05 H new ATOM 0 HB3 LEU A 57 5.824 1.661 -0.077 1.00 35.05 H new ATOM 0 HG LEU A 57 5.432 1.136 2.166 1.00 4.43 H new ATOM 0 HD11 LEU A 57 4.188 3.031 3.163 1.00 72.55 H new ATOM 0 HD12 LEU A 57 5.261 3.543 1.839 1.00 72.55 H new ATOM 0 HD13 LEU A 57 3.508 3.411 1.563 1.00 72.55 H new ATOM 0 HD21 LEU A 57 3.222 0.748 3.207 1.00 32.25 H new ATOM 0 HD22 LEU A 57 2.454 0.923 1.611 1.00 32.25 H new ATOM 0 HD23 LEU A 57 3.581 -0.420 1.913 1.00 32.25 H new ATOM 1000 N VAL A 58 4.629 3.034 -2.998 1.00 72.32 N ATOM 1001 CA VAL A 58 5.088 2.969 -4.394 1.00 60.53 C ATOM 1002 C VAL A 58 6.580 3.312 -4.454 1.00 12.03 C ATOM 1003 O VAL A 58 7.060 4.145 -3.686 1.00 44.34 O ATOM 1004 CB VAL A 58 4.261 3.947 -5.307 1.00 3.44 C ATOM 1005 CG1 VAL A 58 2.769 3.561 -5.330 1.00 33.22 C ATOM 1006 CG2 VAL A 58 4.430 5.413 -4.861 1.00 25.10 C ATOM 0 H VAL A 58 4.588 3.983 -2.626 1.00 72.32 H new ATOM 0 HA VAL A 58 4.933 1.957 -4.769 1.00 60.53 H new ATOM 0 HB VAL A 58 4.655 3.854 -6.319 1.00 3.44 H new ATOM 0 HG11 VAL A 58 2.223 4.255 -5.969 1.00 33.22 H new ATOM 0 HG12 VAL A 58 2.661 2.548 -5.719 1.00 33.22 H new ATOM 0 HG13 VAL A 58 2.366 3.606 -4.318 1.00 33.22 H new ATOM 0 HG21 VAL A 58 3.845 6.061 -5.513 1.00 25.10 H new ATOM 0 HG22 VAL A 58 4.083 5.523 -3.834 1.00 25.10 H new ATOM 0 HG23 VAL A 58 5.482 5.692 -4.920 1.00 25.10 H new ATOM 1016 N SER A 59 7.315 2.659 -5.351 1.00 61.40 N ATOM 1017 CA SER A 59 8.745 2.938 -5.570 1.00 54.03 C ATOM 1018 C SER A 59 8.950 3.896 -6.766 1.00 41.24 C ATOM 1019 O SER A 59 10.091 4.228 -7.100 1.00 2.15 O ATOM 1020 CB SER A 59 9.500 1.603 -5.767 1.00 22.44 C ATOM 1021 OG SER A 59 9.362 0.768 -4.626 1.00 54.11 O ATOM 0 H SER A 59 6.943 1.921 -5.949 1.00 61.40 H new ATOM 0 HA SER A 59 9.152 3.442 -4.694 1.00 54.03 H new ATOM 0 HB2 SER A 59 9.114 1.089 -6.647 1.00 22.44 H new ATOM 0 HB3 SER A 59 10.556 1.802 -5.951 1.00 22.44 H new ATOM 0 HG SER A 59 9.521 -0.164 -4.882 1.00 54.11 H new ATOM 1027 N ASN A 60 7.837 4.351 -7.402 1.00 32.54 N ATOM 1028 CA ASN A 60 7.875 5.273 -8.570 1.00 41.30 C ATOM 1029 C ASN A 60 6.939 6.486 -8.348 1.00 5.13 C ATOM 1030 O ASN A 60 5.866 6.339 -7.759 1.00 33.54 O ATOM 1031 CB ASN A 60 7.449 4.535 -9.865 1.00 41.35 C ATOM 1032 CG ASN A 60 8.350 3.365 -10.258 1.00 2.03 C ATOM 1033 OD1 ASN A 60 9.550 3.351 -9.976 1.00 53.32 O ATOM 1034 ND2 ASN A 60 7.782 2.385 -10.943 1.00 72.22 N ATOM 0 H ASN A 60 6.892 4.090 -7.121 1.00 32.54 H new ATOM 0 HA ASN A 60 8.901 5.627 -8.675 1.00 41.30 H new ATOM 0 HB2 ASN A 60 6.431 4.166 -9.739 1.00 41.35 H new ATOM 0 HB3 ASN A 60 7.428 5.252 -10.686 1.00 41.35 H new ATOM 0 HD21 ASN A 60 8.340 1.589 -11.253 1.00 72.22 H new ATOM 0 HD22 ASN A 60 6.786 2.425 -11.161 1.00 72.22 H new ATOM 1041 N ASP A 61 7.372 7.674 -8.821 1.00 14.21 N ATOM 1042 CA ASP A 61 6.601 8.945 -8.715 1.00 11.51 C ATOM 1043 C ASP A 61 5.351 8.982 -9.619 1.00 51.50 C ATOM 1044 O ASP A 61 4.363 9.645 -9.282 1.00 1.15 O ATOM 1045 CB ASP A 61 7.522 10.165 -9.007 1.00 34.21 C ATOM 1046 CG ASP A 61 8.012 10.287 -10.463 1.00 31.14 C ATOM 1047 OD1 ASP A 61 8.408 9.268 -11.059 1.00 53.50 O ATOM 1048 OD2 ASP A 61 8.050 11.411 -11.003 1.00 32.11 O ATOM 0 H ASP A 61 8.270 7.786 -9.291 1.00 14.21 H new ATOM 0 HA ASP A 61 6.238 9.000 -7.689 1.00 11.51 H new ATOM 0 HB2 ASP A 61 6.984 11.076 -8.744 1.00 34.21 H new ATOM 0 HB3 ASP A 61 8.391 10.108 -8.352 1.00 34.21 H new ATOM 1053 N GLU A 62 5.406 8.298 -10.776 1.00 32.20 N ATOM 1054 CA GLU A 62 4.235 8.164 -11.672 1.00 63.13 C ATOM 1055 C GLU A 62 3.230 7.163 -11.069 1.00 64.10 C ATOM 1056 O GLU A 62 2.023 7.298 -11.247 1.00 42.41 O ATOM 1057 CB GLU A 62 4.654 7.707 -13.092 1.00 71.24 C ATOM 1058 CG GLU A 62 3.497 7.689 -14.120 1.00 22.41 C ATOM 1059 CD GLU A 62 3.837 6.950 -15.421 1.00 71.23 C ATOM 1060 OE1 GLU A 62 4.394 7.570 -16.353 1.00 71.31 O ATOM 1061 OE2 GLU A 62 3.542 5.738 -15.513 1.00 24.44 O ATOM 0 H GLU A 62 6.246 7.829 -11.115 1.00 32.20 H new ATOM 0 HA GLU A 62 3.766 9.143 -11.764 1.00 63.13 H new ATOM 0 HB2 GLU A 62 5.439 8.369 -13.457 1.00 71.24 H new ATOM 0 HB3 GLU A 62 5.084 6.707 -13.028 1.00 71.24 H new ATOM 0 HG2 GLU A 62 2.625 7.220 -13.664 1.00 22.41 H new ATOM 0 HG3 GLU A 62 3.219 8.716 -14.358 1.00 22.41 H new ATOM 1068 N GLU A 63 3.762 6.156 -10.356 1.00 20.41 N ATOM 1069 CA GLU A 63 2.963 5.152 -9.626 1.00 55.44 C ATOM 1070 C GLU A 63 2.317 5.748 -8.371 1.00 74.14 C ATOM 1071 O GLU A 63 1.297 5.238 -7.906 1.00 70.43 O ATOM 1072 CB GLU A 63 3.818 3.891 -9.310 1.00 43.41 C ATOM 1073 CG GLU A 63 3.873 2.849 -10.462 1.00 5.11 C ATOM 1074 CD GLU A 63 4.041 3.465 -11.874 1.00 40.01 C ATOM 1075 OE1 GLU A 63 5.183 3.794 -12.261 1.00 4.35 O ATOM 1076 OE2 GLU A 63 3.025 3.632 -12.597 1.00 0.11 O ATOM 0 H GLU A 63 4.768 6.013 -10.268 1.00 20.41 H new ATOM 0 HA GLU A 63 2.144 4.835 -10.272 1.00 55.44 H new ATOM 0 HB2 GLU A 63 4.834 4.206 -9.072 1.00 43.41 H new ATOM 0 HB3 GLU A 63 3.417 3.409 -8.419 1.00 43.41 H new ATOM 0 HG2 GLU A 63 4.700 2.164 -10.277 1.00 5.11 H new ATOM 0 HG3 GLU A 63 2.958 2.256 -10.444 1.00 5.11 H new ATOM 1083 N LEU A 64 2.957 6.787 -7.804 1.00 12.22 N ATOM 1084 CA LEU A 64 2.356 7.631 -6.762 1.00 2.35 C ATOM 1085 C LEU A 64 1.028 8.201 -7.279 1.00 51.53 C ATOM 1086 O LEU A 64 -0.030 7.986 -6.676 1.00 52.20 O ATOM 1087 CB LEU A 64 3.351 8.760 -6.367 1.00 3.53 C ATOM 1088 CG LEU A 64 2.934 9.701 -5.190 1.00 31.22 C ATOM 1089 CD1 LEU A 64 2.774 8.925 -3.871 1.00 34.51 C ATOM 1090 CD2 LEU A 64 3.940 10.861 -5.032 1.00 40.40 C ATOM 0 H LEU A 64 3.906 7.063 -8.057 1.00 12.22 H new ATOM 0 HA LEU A 64 2.149 7.042 -5.869 1.00 2.35 H new ATOM 0 HB2 LEU A 64 4.303 8.296 -6.108 1.00 3.53 H new ATOM 0 HB3 LEU A 64 3.527 9.378 -7.247 1.00 3.53 H new ATOM 0 HG LEU A 64 1.961 10.125 -5.437 1.00 31.22 H new ATOM 0 HD11 LEU A 64 2.484 9.613 -3.077 1.00 34.51 H new ATOM 0 HD12 LEU A 64 2.005 8.162 -3.989 1.00 34.51 H new ATOM 0 HD13 LEU A 64 3.720 8.450 -3.611 1.00 34.51 H new ATOM 0 HD21 LEU A 64 3.629 11.502 -4.207 1.00 40.40 H new ATOM 0 HD22 LEU A 64 4.931 10.457 -4.824 1.00 40.40 H new ATOM 0 HD23 LEU A 64 3.971 11.444 -5.953 1.00 40.40 H new ATOM 1102 N ASP A 65 1.102 8.854 -8.458 1.00 73.33 N ATOM 1103 CA ASP A 65 -0.071 9.424 -9.142 1.00 13.21 C ATOM 1104 C ASP A 65 -1.061 8.338 -9.586 1.00 23.40 C ATOM 1105 O ASP A 65 -2.269 8.540 -9.495 1.00 75.13 O ATOM 1106 CB ASP A 65 0.370 10.268 -10.364 1.00 33.45 C ATOM 1107 CG ASP A 65 1.143 11.533 -9.966 1.00 41.45 C ATOM 1108 OD1 ASP A 65 0.593 12.357 -9.194 1.00 52.11 O ATOM 1109 OD2 ASP A 65 2.302 11.704 -10.393 1.00 21.12 O ATOM 0 H ASP A 65 1.978 8.999 -8.960 1.00 73.33 H new ATOM 0 HA ASP A 65 -0.581 10.067 -8.425 1.00 13.21 H new ATOM 0 HB2 ASP A 65 0.994 9.657 -11.016 1.00 33.45 H new ATOM 0 HB3 ASP A 65 -0.510 10.552 -10.940 1.00 33.45 H new ATOM 1114 N LYS A 66 -0.526 7.187 -10.035 1.00 44.31 N ATOM 1115 CA LYS A 66 -1.319 6.062 -10.570 1.00 23.31 C ATOM 1116 C LYS A 66 -2.257 5.502 -9.491 1.00 43.14 C ATOM 1117 O LYS A 66 -3.471 5.397 -9.694 1.00 10.15 O ATOM 1118 CB LYS A 66 -0.366 4.936 -11.067 1.00 50.12 C ATOM 1119 CG LYS A 66 -1.030 3.878 -11.974 1.00 31.23 C ATOM 1120 CD LYS A 66 -1.383 4.415 -13.386 1.00 31.13 C ATOM 1121 CE LYS A 66 -0.172 4.503 -14.345 1.00 53.33 C ATOM 1122 NZ LYS A 66 0.947 5.365 -13.863 1.00 61.32 N ATOM 0 H LYS A 66 0.478 7.009 -10.037 1.00 44.31 H new ATOM 0 HA LYS A 66 -1.920 6.426 -11.403 1.00 23.31 H new ATOM 0 HB2 LYS A 66 0.461 5.393 -11.611 1.00 50.12 H new ATOM 0 HB3 LYS A 66 0.062 4.433 -10.200 1.00 50.12 H new ATOM 0 HG2 LYS A 66 -0.360 3.024 -12.075 1.00 31.23 H new ATOM 0 HG3 LYS A 66 -1.939 3.516 -11.493 1.00 31.23 H new ATOM 0 HD2 LYS A 66 -2.140 3.769 -13.831 1.00 31.13 H new ATOM 0 HD3 LYS A 66 -1.828 5.405 -13.287 1.00 31.13 H new ATOM 0 HE2 LYS A 66 0.211 3.497 -14.517 1.00 53.33 H new ATOM 0 HE3 LYS A 66 -0.515 4.882 -15.307 1.00 53.33 H new ATOM 0 HZ1 LYS A 66 1.553 5.629 -14.666 1.00 61.32 H new ATOM 0 HZ2 LYS A 66 0.559 6.225 -13.425 1.00 61.32 H new ATOM 0 HZ3 LYS A 66 1.510 4.843 -13.161 1.00 61.32 H new ATOM 1136 N ALA A 67 -1.657 5.176 -8.337 1.00 64.13 N ATOM 1137 CA ALA A 67 -2.354 4.600 -7.185 1.00 21.23 C ATOM 1138 C ALA A 67 -3.325 5.609 -6.558 1.00 51.04 C ATOM 1139 O ALA A 67 -4.370 5.210 -6.032 1.00 74.13 O ATOM 1140 CB ALA A 67 -1.328 4.126 -6.161 1.00 31.10 C ATOM 0 H ALA A 67 -0.658 5.308 -8.179 1.00 64.13 H new ATOM 0 HA ALA A 67 -2.947 3.750 -7.522 1.00 21.23 H new ATOM 0 HB1 ALA A 67 -1.843 3.697 -5.302 1.00 31.10 H new ATOM 0 HB2 ALA A 67 -0.685 3.371 -6.613 1.00 31.10 H new ATOM 0 HB3 ALA A 67 -0.722 4.971 -5.835 1.00 31.10 H new ATOM 1146 N LYS A 68 -2.967 6.917 -6.623 1.00 23.52 N ATOM 1147 CA LYS A 68 -3.856 7.998 -6.174 1.00 54.32 C ATOM 1148 C LYS A 68 -5.114 8.082 -7.065 1.00 33.31 C ATOM 1149 O LYS A 68 -6.220 8.158 -6.536 1.00 33.15 O ATOM 1150 CB LYS A 68 -3.126 9.370 -6.124 1.00 2.34 C ATOM 1151 CG LYS A 68 -2.154 9.526 -4.927 1.00 11.41 C ATOM 1152 CD LYS A 68 -1.539 10.945 -4.830 1.00 3.43 C ATOM 1153 CE LYS A 68 -0.678 11.330 -6.042 1.00 0.13 C ATOM 1154 NZ LYS A 68 -0.281 12.763 -6.009 1.00 32.22 N ATOM 0 H LYS A 68 -2.069 7.239 -6.983 1.00 23.52 H new ATOM 0 HA LYS A 68 -4.166 7.757 -5.157 1.00 54.32 H new ATOM 0 HB2 LYS A 68 -2.569 9.507 -7.051 1.00 2.34 H new ATOM 0 HB3 LYS A 68 -3.871 10.164 -6.079 1.00 2.34 H new ATOM 0 HG2 LYS A 68 -2.686 9.302 -4.002 1.00 11.41 H new ATOM 0 HG3 LYS A 68 -1.352 8.794 -5.019 1.00 11.41 H new ATOM 0 HD2 LYS A 68 -2.343 11.673 -4.721 1.00 3.43 H new ATOM 0 HD3 LYS A 68 -0.929 11.006 -3.929 1.00 3.43 H new ATOM 0 HE2 LYS A 68 0.216 10.706 -6.065 1.00 0.13 H new ATOM 0 HE3 LYS A 68 -1.231 11.128 -6.959 1.00 0.13 H new ATOM 0 HZ1 LYS A 68 0.299 12.982 -6.844 1.00 32.22 H new ATOM 0 HZ2 LYS A 68 -1.133 13.359 -6.013 1.00 32.22 H new ATOM 0 HZ3 LYS A 68 0.269 12.951 -5.147 1.00 32.22 H new ATOM 1168 N GLU A 69 -4.928 8.023 -8.412 1.00 71.12 N ATOM 1169 CA GLU A 69 -6.045 8.080 -9.398 1.00 63.34 C ATOM 1170 C GLU A 69 -7.050 6.947 -9.142 1.00 12.32 C ATOM 1171 O GLU A 69 -8.249 7.193 -9.028 1.00 53.15 O ATOM 1172 CB GLU A 69 -5.521 7.977 -10.861 1.00 14.15 C ATOM 1173 CG GLU A 69 -4.708 9.184 -11.344 1.00 44.41 C ATOM 1174 CD GLU A 69 -4.110 8.966 -12.742 1.00 44.43 C ATOM 1175 OE1 GLU A 69 -3.059 8.299 -12.849 1.00 2.31 O ATOM 1176 OE2 GLU A 69 -4.699 9.428 -13.747 1.00 51.32 O ATOM 0 H GLU A 69 -4.008 7.935 -8.843 1.00 71.12 H new ATOM 0 HA GLU A 69 -6.539 9.043 -9.271 1.00 63.34 H new ATOM 0 HB2 GLU A 69 -4.903 7.083 -10.948 1.00 14.15 H new ATOM 0 HB3 GLU A 69 -6.373 7.841 -11.527 1.00 14.15 H new ATOM 0 HG2 GLU A 69 -5.347 10.067 -11.359 1.00 44.41 H new ATOM 0 HG3 GLU A 69 -3.904 9.384 -10.635 1.00 44.41 H new ATOM 1183 N LEU A 70 -6.512 5.719 -9.019 1.00 23.23 N ATOM 1184 CA LEU A 70 -7.301 4.491 -8.811 1.00 65.05 C ATOM 1185 C LEU A 70 -8.057 4.542 -7.469 1.00 55.44 C ATOM 1186 O LEU A 70 -9.209 4.107 -7.390 1.00 45.43 O ATOM 1187 CB LEU A 70 -6.372 3.246 -8.913 1.00 54.41 C ATOM 1188 CG LEU A 70 -5.659 3.065 -10.297 1.00 31.10 C ATOM 1189 CD1 LEU A 70 -4.673 1.873 -10.290 1.00 3.14 C ATOM 1190 CD2 LEU A 70 -6.694 2.942 -11.440 1.00 33.23 C ATOM 0 H LEU A 70 -5.507 5.550 -9.062 1.00 23.23 H new ATOM 0 HA LEU A 70 -8.056 4.413 -9.593 1.00 65.05 H new ATOM 0 HB2 LEU A 70 -5.611 3.314 -8.135 1.00 54.41 H new ATOM 0 HB3 LEU A 70 -6.962 2.353 -8.705 1.00 54.41 H new ATOM 0 HG LEU A 70 -5.065 3.961 -10.478 1.00 31.10 H new ATOM 0 HD11 LEU A 70 -4.202 1.785 -11.269 1.00 3.14 H new ATOM 0 HD12 LEU A 70 -3.907 2.039 -9.532 1.00 3.14 H new ATOM 0 HD13 LEU A 70 -5.214 0.954 -10.064 1.00 3.14 H new ATOM 0 HD21 LEU A 70 -6.174 2.817 -12.390 1.00 33.23 H new ATOM 0 HD22 LEU A 70 -7.334 2.078 -11.260 1.00 33.23 H new ATOM 0 HD23 LEU A 70 -7.305 3.844 -11.476 1.00 33.23 H new ATOM 1202 N ALA A 71 -7.400 5.103 -6.431 1.00 51.22 N ATOM 1203 CA ALA A 71 -8.019 5.367 -5.114 1.00 43.15 C ATOM 1204 C ALA A 71 -9.216 6.336 -5.226 1.00 12.44 C ATOM 1205 O ALA A 71 -10.243 6.129 -4.567 1.00 12.43 O ATOM 1206 CB ALA A 71 -6.970 5.931 -4.151 1.00 62.34 C ATOM 0 H ALA A 71 -6.422 5.387 -6.483 1.00 51.22 H new ATOM 0 HA ALA A 71 -8.399 4.421 -4.727 1.00 43.15 H new ATOM 0 HB1 ALA A 71 -7.431 6.124 -3.182 1.00 62.34 H new ATOM 0 HB2 ALA A 71 -6.161 5.210 -4.031 1.00 62.34 H new ATOM 0 HB3 ALA A 71 -6.569 6.861 -4.554 1.00 62.34 H new ATOM 1212 N GLN A 72 -9.061 7.380 -6.078 1.00 3.21 N ATOM 1213 CA GLN A 72 -10.110 8.396 -6.339 1.00 25.53 C ATOM 1214 C GLN A 72 -11.331 7.749 -7.018 1.00 11.32 C ATOM 1215 O GLN A 72 -12.476 8.040 -6.656 1.00 15.32 O ATOM 1216 CB GLN A 72 -9.558 9.551 -7.232 1.00 31.12 C ATOM 1217 CG GLN A 72 -8.398 10.368 -6.610 1.00 63.33 C ATOM 1218 CD GLN A 72 -7.713 11.333 -7.597 1.00 11.22 C ATOM 1219 OE1 GLN A 72 -8.344 11.863 -8.509 1.00 15.43 O ATOM 1220 NE2 GLN A 72 -6.415 11.545 -7.442 1.00 4.31 N ATOM 0 H GLN A 72 -8.202 7.541 -6.605 1.00 3.21 H new ATOM 0 HA GLN A 72 -10.417 8.814 -5.380 1.00 25.53 H new ATOM 0 HB2 GLN A 72 -9.217 9.127 -8.177 1.00 31.12 H new ATOM 0 HB3 GLN A 72 -10.377 10.232 -7.465 1.00 31.12 H new ATOM 0 HG2 GLN A 72 -8.782 10.940 -5.765 1.00 63.33 H new ATOM 0 HG3 GLN A 72 -7.652 9.678 -6.215 1.00 63.33 H new ATOM 0 HE21 GLN A 72 -5.912 11.094 -6.678 1.00 4.31 H new ATOM 0 HE22 GLN A 72 -5.918 12.159 -8.087 1.00 4.31 H new ATOM 1229 N LYS A 73 -11.057 6.832 -7.976 1.00 52.24 N ATOM 1230 CA LYS A 73 -12.099 6.101 -8.734 1.00 3.41 C ATOM 1231 C LYS A 73 -12.986 5.249 -7.800 1.00 22.44 C ATOM 1232 O LYS A 73 -14.166 5.018 -8.082 1.00 63.24 O ATOM 1233 CB LYS A 73 -11.458 5.176 -9.815 1.00 4.44 C ATOM 1234 CG LYS A 73 -10.509 5.866 -10.824 1.00 63.31 C ATOM 1235 CD LYS A 73 -11.130 7.069 -11.571 1.00 4.20 C ATOM 1236 CE LYS A 73 -12.355 6.691 -12.421 1.00 74.13 C ATOM 1237 NZ LYS A 73 -12.884 7.862 -13.170 1.00 51.14 N ATOM 0 H LYS A 73 -10.106 6.578 -8.245 1.00 52.24 H new ATOM 0 HA LYS A 73 -12.721 6.851 -9.222 1.00 3.41 H new ATOM 0 HB2 LYS A 73 -10.904 4.387 -9.307 1.00 4.44 H new ATOM 0 HB3 LYS A 73 -12.260 4.693 -10.373 1.00 4.44 H new ATOM 0 HG2 LYS A 73 -9.619 6.205 -10.293 1.00 63.31 H new ATOM 0 HG3 LYS A 73 -10.182 5.129 -11.557 1.00 63.31 H new ATOM 0 HD2 LYS A 73 -11.421 7.828 -10.845 1.00 4.20 H new ATOM 0 HD3 LYS A 73 -10.374 7.517 -12.215 1.00 4.20 H new ATOM 0 HE2 LYS A 73 -12.083 5.903 -13.123 1.00 74.13 H new ATOM 0 HE3 LYS A 73 -13.136 6.288 -11.776 1.00 74.13 H new ATOM 0 HZ1 LYS A 73 -13.709 7.571 -13.732 1.00 51.14 H new ATOM 0 HZ2 LYS A 73 -13.167 8.604 -12.499 1.00 51.14 H new ATOM 0 HZ3 LYS A 73 -12.146 8.231 -13.804 1.00 51.14 H new ATOM 1251 N MET A 74 -12.396 4.790 -6.685 1.00 4.04 N ATOM 1252 CA MET A 74 -13.100 3.983 -5.667 1.00 4.10 C ATOM 1253 C MET A 74 -13.607 4.865 -4.506 1.00 55.30 C ATOM 1254 O MET A 74 -14.454 4.426 -3.718 1.00 61.43 O ATOM 1255 CB MET A 74 -12.140 2.910 -5.114 1.00 64.34 C ATOM 1256 CG MET A 74 -11.407 2.098 -6.175 1.00 73.42 C ATOM 1257 SD MET A 74 -12.493 1.196 -7.290 1.00 3.22 S ATOM 1258 CE MET A 74 -11.288 0.191 -8.152 1.00 42.50 C ATOM 0 H MET A 74 -11.417 4.966 -6.461 1.00 4.04 H new ATOM 0 HA MET A 74 -13.962 3.511 -6.139 1.00 4.10 H new ATOM 0 HB2 MET A 74 -11.403 3.397 -4.476 1.00 64.34 H new ATOM 0 HB3 MET A 74 -12.707 2.227 -4.482 1.00 64.34 H new ATOM 0 HG2 MET A 74 -10.779 2.769 -6.761 1.00 73.42 H new ATOM 0 HG3 MET A 74 -10.742 1.390 -5.680 1.00 73.42 H new ATOM 0 HE1 MET A 74 -11.740 -0.229 -9.050 1.00 42.50 H new ATOM 0 HE2 MET A 74 -10.433 0.807 -8.430 1.00 42.50 H new ATOM 0 HE3 MET A 74 -10.956 -0.618 -7.501 1.00 42.50 H new ATOM 1268 N GLU A 75 -13.070 6.107 -4.432 1.00 10.13 N ATOM 1269 CA GLU A 75 -13.334 7.087 -3.350 1.00 64.44 C ATOM 1270 C GLU A 75 -12.966 6.558 -1.932 1.00 42.21 C ATOM 1271 O GLU A 75 -13.465 7.085 -0.932 1.00 24.43 O ATOM 1272 CB GLU A 75 -14.809 7.588 -3.407 1.00 40.42 C ATOM 1273 CG GLU A 75 -15.184 8.363 -4.688 1.00 50.04 C ATOM 1274 CD GLU A 75 -16.639 8.866 -4.676 1.00 23.05 C ATOM 1275 OE1 GLU A 75 -16.907 9.942 -4.095 1.00 35.41 O ATOM 1276 OE2 GLU A 75 -17.531 8.174 -5.221 1.00 50.11 O ATOM 0 H GLU A 75 -12.427 6.463 -5.139 1.00 10.13 H new ATOM 0 HA GLU A 75 -12.671 7.933 -3.530 1.00 64.44 H new ATOM 0 HB2 GLU A 75 -15.473 6.729 -3.312 1.00 40.42 H new ATOM 0 HB3 GLU A 75 -14.993 8.229 -2.545 1.00 40.42 H new ATOM 0 HG2 GLU A 75 -14.511 9.213 -4.803 1.00 50.04 H new ATOM 0 HG3 GLU A 75 -15.034 7.718 -5.554 1.00 50.04 H new ATOM 1283 N ILE A 76 -12.051 5.560 -1.849 1.00 50.45 N ATOM 1284 CA ILE A 76 -11.586 4.984 -0.559 1.00 41.44 C ATOM 1285 C ILE A 76 -10.522 5.919 0.067 1.00 12.23 C ATOM 1286 O ILE A 76 -9.750 6.563 -0.663 1.00 44.33 O ATOM 1287 CB ILE A 76 -10.978 3.529 -0.750 1.00 25.43 C ATOM 1288 CG1 ILE A 76 -11.999 2.575 -1.455 1.00 42.12 C ATOM 1289 CG2 ILE A 76 -10.505 2.921 0.604 1.00 41.11 C ATOM 1290 CD1 ILE A 76 -11.442 1.206 -1.830 1.00 4.04 C ATOM 0 H ILE A 76 -11.616 5.133 -2.667 1.00 50.45 H new ATOM 0 HA ILE A 76 -12.447 4.899 0.104 1.00 41.44 H new ATOM 0 HB ILE A 76 -10.104 3.629 -1.394 1.00 25.43 H new ATOM 0 HG12 ILE A 76 -12.857 2.435 -0.798 1.00 42.12 H new ATOM 0 HG13 ILE A 76 -12.366 3.062 -2.358 1.00 42.12 H new ATOM 0 HG21 ILE A 76 -10.095 1.926 0.433 1.00 41.11 H new ATOM 0 HG22 ILE A 76 -9.737 3.559 1.041 1.00 41.11 H new ATOM 0 HG23 ILE A 76 -11.351 2.852 1.287 1.00 41.11 H new ATOM 0 HD11 ILE A 76 -12.221 0.616 -2.313 1.00 4.04 H new ATOM 0 HD12 ILE A 76 -10.604 1.330 -2.515 1.00 4.04 H new ATOM 0 HD13 ILE A 76 -11.103 0.692 -0.930 1.00 4.04 H new ATOM 1302 N ASP A 77 -10.495 5.996 1.413 1.00 11.41 N ATOM 1303 CA ASP A 77 -9.503 6.789 2.152 1.00 31.22 C ATOM 1304 C ASP A 77 -8.145 6.036 2.177 1.00 42.12 C ATOM 1305 O ASP A 77 -7.943 5.047 2.902 1.00 53.22 O ATOM 1306 CB ASP A 77 -10.024 7.155 3.576 1.00 23.23 C ATOM 1307 CG ASP A 77 -10.278 5.963 4.521 1.00 14.12 C ATOM 1308 OD1 ASP A 77 -11.012 5.032 4.133 1.00 23.32 O ATOM 1309 OD2 ASP A 77 -9.767 5.976 5.667 1.00 63.01 O ATOM 0 H ASP A 77 -11.161 5.510 2.013 1.00 11.41 H new ATOM 0 HA ASP A 77 -9.341 7.738 1.640 1.00 31.22 H new ATOM 0 HB2 ASP A 77 -9.301 7.821 4.047 1.00 23.23 H new ATOM 0 HB3 ASP A 77 -10.953 7.716 3.470 1.00 23.23 H new ATOM 1314 N VAL A 78 -7.227 6.508 1.321 1.00 60.34 N ATOM 1315 CA VAL A 78 -5.933 5.858 1.050 1.00 64.20 C ATOM 1316 C VAL A 78 -4.777 6.828 1.370 1.00 4.01 C ATOM 1317 O VAL A 78 -4.868 8.023 1.081 1.00 54.43 O ATOM 1318 CB VAL A 78 -5.837 5.383 -0.455 1.00 42.44 C ATOM 1319 CG1 VAL A 78 -4.478 4.715 -0.764 1.00 2.13 C ATOM 1320 CG2 VAL A 78 -7.006 4.435 -0.826 1.00 14.12 C ATOM 0 H VAL A 78 -7.364 7.367 0.788 1.00 60.34 H new ATOM 0 HA VAL A 78 -5.855 4.979 1.690 1.00 64.20 H new ATOM 0 HB VAL A 78 -5.915 6.278 -1.072 1.00 42.44 H new ATOM 0 HG11 VAL A 78 -4.455 4.404 -1.808 1.00 2.13 H new ATOM 0 HG12 VAL A 78 -3.673 5.426 -0.579 1.00 2.13 H new ATOM 0 HG13 VAL A 78 -4.347 3.843 -0.123 1.00 2.13 H new ATOM 0 HG21 VAL A 78 -6.909 4.128 -1.867 1.00 14.12 H new ATOM 0 HG22 VAL A 78 -6.978 3.555 -0.184 1.00 14.12 H new ATOM 0 HG23 VAL A 78 -7.954 4.955 -0.688 1.00 14.12 H new ATOM 1330 N ARG A 79 -3.705 6.293 1.985 1.00 10.50 N ATOM 1331 CA ARG A 79 -2.452 7.013 2.234 1.00 45.31 C ATOM 1332 C ARG A 79 -1.442 6.487 1.213 1.00 65.14 C ATOM 1333 O ARG A 79 -0.979 5.361 1.340 1.00 1.05 O ATOM 1334 CB ARG A 79 -1.913 6.775 3.686 1.00 4.21 C ATOM 1335 CG ARG A 79 -2.802 7.319 4.835 1.00 44.20 C ATOM 1336 CD ARG A 79 -4.054 6.463 5.115 1.00 11.12 C ATOM 1337 NE ARG A 79 -4.906 7.071 6.142 1.00 55.41 N ATOM 1338 CZ ARG A 79 -6.236 6.947 6.216 1.00 2.42 C ATOM 1339 NH1 ARG A 79 -6.906 6.228 5.317 1.00 20.44 N ATOM 1340 NH2 ARG A 79 -6.891 7.552 7.196 1.00 14.43 N ATOM 0 H ARG A 79 -3.690 5.332 2.327 1.00 10.50 H new ATOM 0 HA ARG A 79 -2.615 8.086 2.137 1.00 45.31 H new ATOM 0 HB2 ARG A 79 -1.779 5.703 3.832 1.00 4.21 H new ATOM 0 HB3 ARG A 79 -0.927 7.233 3.767 1.00 4.21 H new ATOM 0 HG2 ARG A 79 -2.205 7.381 5.745 1.00 44.20 H new ATOM 0 HG3 ARG A 79 -3.115 8.334 4.590 1.00 44.20 H new ATOM 0 HD2 ARG A 79 -4.625 6.340 4.194 1.00 11.12 H new ATOM 0 HD3 ARG A 79 -3.750 5.467 5.437 1.00 11.12 H new ATOM 0 HE ARG A 79 -4.447 7.634 6.858 1.00 55.41 H new ATOM 0 HH11 ARG A 79 -6.405 5.763 4.560 1.00 20.44 H new ATOM 0 HH12 ARG A 79 -7.920 6.142 5.386 1.00 20.44 H new ATOM 0 HH21 ARG A 79 -6.381 8.106 7.884 1.00 14.43 H new ATOM 0 HH22 ARG A 79 -7.905 7.464 7.262 1.00 14.43 H new ATOM 1354 N THR A 80 -1.122 7.280 0.185 1.00 74.13 N ATOM 1355 CA THR A 80 -0.236 6.836 -0.901 1.00 13.03 C ATOM 1356 C THR A 80 1.115 7.546 -0.735 1.00 43.44 C ATOM 1357 O THR A 80 1.226 8.753 -0.974 1.00 11.22 O ATOM 1358 CB THR A 80 -0.854 7.123 -2.309 1.00 55.40 C ATOM 1359 OG1 THR A 80 -2.211 6.647 -2.345 1.00 21.44 O ATOM 1360 CG2 THR A 80 -0.061 6.440 -3.441 1.00 74.34 C ATOM 0 H THR A 80 -1.463 8.235 0.080 1.00 74.13 H new ATOM 0 HA THR A 80 -0.102 5.756 -0.840 1.00 13.03 H new ATOM 0 HB THR A 80 -0.816 8.201 -2.468 1.00 55.40 H new ATOM 0 HG1 THR A 80 -2.598 6.829 -3.227 1.00 21.44 H new ATOM 0 HG21 THR A 80 -0.527 6.667 -4.400 1.00 74.34 H new ATOM 0 HG22 THR A 80 0.965 6.808 -3.440 1.00 74.34 H new ATOM 0 HG23 THR A 80 -0.060 5.361 -3.285 1.00 74.34 H new ATOM 1368 N ARG A 81 2.120 6.790 -0.273 1.00 1.03 N ATOM 1369 CA ARG A 81 3.459 7.301 0.052 1.00 34.44 C ATOM 1370 C ARG A 81 4.467 6.746 -0.960 1.00 13.22 C ATOM 1371 O ARG A 81 4.466 5.540 -1.236 1.00 15.32 O ATOM 1372 CB ARG A 81 3.863 6.864 1.494 1.00 51.04 C ATOM 1373 CG ARG A 81 2.936 7.354 2.636 1.00 52.30 C ATOM 1374 CD ARG A 81 2.923 8.890 2.820 1.00 61.30 C ATOM 1375 NE ARG A 81 2.092 9.579 1.814 1.00 14.21 N ATOM 1376 CZ ARG A 81 2.241 10.850 1.393 1.00 42.22 C ATOM 1377 NH1 ARG A 81 3.208 11.633 1.863 1.00 75.42 N ATOM 1378 NH2 ARG A 81 1.397 11.330 0.494 1.00 14.12 N ATOM 0 H ARG A 81 2.024 5.787 -0.112 1.00 1.03 H new ATOM 0 HA ARG A 81 3.453 8.390 0.005 1.00 34.44 H new ATOM 0 HB2 ARG A 81 3.901 5.775 1.525 1.00 51.04 H new ATOM 0 HB3 ARG A 81 4.873 7.224 1.692 1.00 51.04 H new ATOM 0 HG2 ARG A 81 1.920 7.014 2.437 1.00 52.30 H new ATOM 0 HG3 ARG A 81 3.251 6.889 3.570 1.00 52.30 H new ATOM 0 HD2 ARG A 81 2.552 9.129 3.817 1.00 61.30 H new ATOM 0 HD3 ARG A 81 3.944 9.267 2.761 1.00 61.30 H new ATOM 0 HE ARG A 81 1.332 9.041 1.397 1.00 14.21 H new ATOM 0 HH11 ARG A 81 3.861 11.275 2.560 1.00 75.42 H new ATOM 0 HH12 ARG A 81 3.297 12.592 1.526 1.00 75.42 H new ATOM 0 HH21 ARG A 81 0.648 10.740 0.131 1.00 14.12 H new ATOM 0 HH22 ARG A 81 1.495 12.290 0.164 1.00 14.12 H new ATOM 1392 N LYS A 82 5.308 7.626 -1.526 1.00 42.20 N ATOM 1393 CA LYS A 82 6.411 7.217 -2.399 1.00 52.11 C ATOM 1394 C LYS A 82 7.670 7.028 -1.548 1.00 53.44 C ATOM 1395 O LYS A 82 8.078 7.938 -0.816 1.00 41.03 O ATOM 1396 CB LYS A 82 6.673 8.259 -3.511 1.00 41.15 C ATOM 1397 CG LYS A 82 7.760 7.820 -4.523 1.00 52.14 C ATOM 1398 CD LYS A 82 8.201 8.959 -5.464 1.00 23.44 C ATOM 1399 CE LYS A 82 8.849 10.138 -4.722 1.00 62.13 C ATOM 1400 NZ LYS A 82 9.259 11.215 -5.659 1.00 63.30 N ATOM 0 H LYS A 82 5.240 8.635 -1.390 1.00 42.20 H new ATOM 0 HA LYS A 82 6.142 6.280 -2.887 1.00 52.11 H new ATOM 0 HB2 LYS A 82 5.743 8.448 -4.047 1.00 41.15 H new ATOM 0 HB3 LYS A 82 6.974 9.201 -3.052 1.00 41.15 H new ATOM 0 HG2 LYS A 82 8.628 7.450 -3.978 1.00 52.14 H new ATOM 0 HG3 LYS A 82 7.380 6.990 -5.119 1.00 52.14 H new ATOM 0 HD2 LYS A 82 8.907 8.565 -6.195 1.00 23.44 H new ATOM 0 HD3 LYS A 82 7.335 9.319 -6.019 1.00 23.44 H new ATOM 0 HE2 LYS A 82 8.147 10.539 -3.991 1.00 62.13 H new ATOM 0 HE3 LYS A 82 9.719 9.786 -4.168 1.00 62.13 H new ATOM 0 HZ1 LYS A 82 9.692 11.994 -5.124 1.00 63.30 H new ATOM 0 HZ2 LYS A 82 9.948 10.838 -6.341 1.00 63.30 H new ATOM 0 HZ3 LYS A 82 8.424 11.568 -6.169 1.00 63.30 H new ATOM 1414 N VAL A 83 8.267 5.838 -1.645 1.00 33.31 N ATOM 1415 CA VAL A 83 9.429 5.443 -0.848 1.00 42.20 C ATOM 1416 C VAL A 83 10.708 5.532 -1.701 1.00 53.30 C ATOM 1417 O VAL A 83 10.723 5.135 -2.877 1.00 2.12 O ATOM 1418 CB VAL A 83 9.204 3.997 -0.259 1.00 4.55 C ATOM 1419 CG1 VAL A 83 7.885 3.970 0.555 1.00 50.32 C ATOM 1420 CG2 VAL A 83 9.195 2.892 -1.350 1.00 74.11 C ATOM 0 H VAL A 83 7.952 5.112 -2.289 1.00 33.31 H new ATOM 0 HA VAL A 83 9.552 6.126 -0.007 1.00 42.20 H new ATOM 0 HB VAL A 83 10.049 3.775 0.393 1.00 4.55 H new ATOM 0 HG11 VAL A 83 7.729 2.971 0.962 1.00 50.32 H new ATOM 0 HG12 VAL A 83 7.947 4.689 1.372 1.00 50.32 H new ATOM 0 HG13 VAL A 83 7.050 4.231 -0.096 1.00 50.32 H new ATOM 0 HG21 VAL A 83 9.036 1.920 -0.882 1.00 74.11 H new ATOM 0 HG22 VAL A 83 8.392 3.088 -2.060 1.00 74.11 H new ATOM 0 HG23 VAL A 83 10.151 2.891 -1.874 1.00 74.11 H new ATOM 1430 N THR A 84 11.754 6.123 -1.116 1.00 60.05 N ATOM 1431 CA THR A 84 13.074 6.273 -1.744 1.00 75.40 C ATOM 1432 C THR A 84 13.995 5.128 -1.293 1.00 43.34 C ATOM 1433 O THR A 84 14.755 4.560 -2.084 1.00 33.55 O ATOM 1434 CB THR A 84 13.685 7.665 -1.364 1.00 33.43 C ATOM 1435 OG1 THR A 84 13.611 7.848 0.060 1.00 54.33 O ATOM 1436 CG2 THR A 84 12.962 8.829 -2.069 1.00 25.12 C ATOM 0 H THR A 84 11.708 6.518 -0.177 1.00 60.05 H new ATOM 0 HA THR A 84 12.972 6.226 -2.828 1.00 75.40 H new ATOM 0 HB THR A 84 14.723 7.671 -1.695 1.00 33.43 H new ATOM 0 HG1 THR A 84 13.995 8.718 0.298 1.00 54.33 H new ATOM 0 HG21 THR A 84 13.420 9.773 -1.775 1.00 25.12 H new ATOM 0 HG22 THR A 84 13.043 8.707 -3.149 1.00 25.12 H new ATOM 0 HG23 THR A 84 11.910 8.831 -1.782 1.00 25.12 H new ATOM 1444 N SER A 85 13.893 4.814 0.003 1.00 44.31 N ATOM 1445 CA SER A 85 14.603 3.708 0.661 1.00 13.50 C ATOM 1446 C SER A 85 13.594 2.617 1.095 1.00 43.03 C ATOM 1447 O SER A 85 12.388 2.906 1.213 1.00 62.24 O ATOM 1448 CB SER A 85 15.352 4.272 1.896 1.00 65.24 C ATOM 1449 OG SER A 85 16.236 5.314 1.527 1.00 34.01 O ATOM 0 H SER A 85 13.296 5.337 0.644 1.00 44.31 H new ATOM 0 HA SER A 85 15.317 3.257 -0.028 1.00 13.50 H new ATOM 0 HB2 SER A 85 14.631 4.644 2.623 1.00 65.24 H new ATOM 0 HB3 SER A 85 15.911 3.472 2.382 1.00 65.24 H new ATOM 0 HG SER A 85 16.694 5.652 2.325 1.00 34.01 H new ATOM 1455 N PRO A 86 14.058 1.341 1.345 1.00 62.24 N ATOM 1456 CA PRO A 86 13.222 0.299 2.014 1.00 32.21 C ATOM 1457 C PRO A 86 12.825 0.748 3.431 1.00 65.52 C ATOM 1458 O PRO A 86 11.732 0.444 3.904 1.00 3.00 O ATOM 1459 CB PRO A 86 14.145 -0.955 2.031 1.00 0.13 C ATOM 1460 CG PRO A 86 15.536 -0.403 1.890 1.00 12.13 C ATOM 1461 CD PRO A 86 15.396 0.797 0.977 1.00 24.24 C ATOM 0 HA PRO A 86 12.279 0.105 1.503 1.00 32.21 H new ATOM 0 HB2 PRO A 86 14.033 -1.517 2.958 1.00 0.13 H new ATOM 0 HB3 PRO A 86 13.904 -1.636 1.215 1.00 0.13 H new ATOM 0 HG2 PRO A 86 15.946 -0.115 2.858 1.00 12.13 H new ATOM 0 HG3 PRO A 86 16.213 -1.144 1.465 1.00 12.13 H new ATOM 0 HD2 PRO A 86 16.189 1.526 1.144 1.00 24.24 H new ATOM 0 HD3 PRO A 86 15.441 0.512 -0.074 1.00 24.24 H new ATOM 1469 N ASP A 87 13.734 1.534 4.044 1.00 32.43 N ATOM 1470 CA ASP A 87 13.565 2.171 5.363 1.00 43.10 C ATOM 1471 C ASP A 87 12.272 3.008 5.426 1.00 54.22 C ATOM 1472 O ASP A 87 11.574 3.007 6.446 1.00 35.43 O ATOM 1473 CB ASP A 87 14.784 3.087 5.659 1.00 55.42 C ATOM 1474 CG ASP A 87 16.126 2.335 5.654 1.00 61.32 C ATOM 1475 OD1 ASP A 87 16.640 2.034 4.552 1.00 63.54 O ATOM 1476 OD2 ASP A 87 16.664 2.032 6.746 1.00 62.42 O ATOM 0 H ASP A 87 14.636 1.749 3.619 1.00 32.43 H new ATOM 0 HA ASP A 87 13.497 1.381 6.111 1.00 43.10 H new ATOM 0 HB2 ASP A 87 14.819 3.884 4.916 1.00 55.42 H new ATOM 0 HB3 ASP A 87 14.645 3.562 6.630 1.00 55.42 H new ATOM 1481 N GLU A 88 11.969 3.712 4.312 1.00 43.03 N ATOM 1482 CA GLU A 88 10.775 4.571 4.199 1.00 31.43 C ATOM 1483 C GLU A 88 9.500 3.711 4.200 1.00 44.41 C ATOM 1484 O GLU A 88 8.570 4.000 4.947 1.00 54.00 O ATOM 1485 CB GLU A 88 10.828 5.450 2.913 1.00 62.21 C ATOM 1486 CG GLU A 88 12.155 6.201 2.692 1.00 72.11 C ATOM 1487 CD GLU A 88 12.566 7.130 3.852 1.00 54.22 C ATOM 1488 OE1 GLU A 88 12.079 8.277 3.905 1.00 44.02 O ATOM 1489 OE2 GLU A 88 13.385 6.718 4.708 1.00 43.32 O ATOM 0 H GLU A 88 12.545 3.699 3.470 1.00 43.03 H new ATOM 0 HA GLU A 88 10.758 5.237 5.062 1.00 31.43 H new ATOM 0 HB2 GLU A 88 10.640 4.814 2.048 1.00 62.21 H new ATOM 0 HB3 GLU A 88 10.018 6.178 2.955 1.00 62.21 H new ATOM 0 HG2 GLU A 88 12.948 5.471 2.530 1.00 72.11 H new ATOM 0 HG3 GLU A 88 12.075 6.793 1.780 1.00 72.11 H new ATOM 1496 N ALA A 89 9.515 2.621 3.400 1.00 43.31 N ATOM 1497 CA ALA A 89 8.361 1.707 3.241 1.00 0.01 C ATOM 1498 C ALA A 89 7.956 1.096 4.584 1.00 4.24 C ATOM 1499 O ALA A 89 6.782 1.099 4.956 1.00 54.10 O ATOM 1500 CB ALA A 89 8.693 0.602 2.222 1.00 12.21 C ATOM 0 H ALA A 89 10.328 2.350 2.846 1.00 43.31 H new ATOM 0 HA ALA A 89 7.516 2.285 2.867 1.00 0.01 H new ATOM 0 HB1 ALA A 89 7.836 -0.063 2.114 1.00 12.21 H new ATOM 0 HB2 ALA A 89 8.925 1.054 1.258 1.00 12.21 H new ATOM 0 HB3 ALA A 89 9.554 0.032 2.571 1.00 12.21 H new ATOM 1506 N LYS A 90 8.978 0.630 5.314 1.00 23.02 N ATOM 1507 CA LYS A 90 8.841 0.018 6.636 1.00 13.33 C ATOM 1508 C LYS A 90 8.302 1.023 7.667 1.00 32.33 C ATOM 1509 O LYS A 90 7.459 0.674 8.511 1.00 43.34 O ATOM 1510 CB LYS A 90 10.228 -0.494 7.078 1.00 32.10 C ATOM 1511 CG LYS A 90 10.854 -1.546 6.139 1.00 32.04 C ATOM 1512 CD LYS A 90 12.302 -1.908 6.542 1.00 54.02 C ATOM 1513 CE LYS A 90 12.401 -2.578 7.918 1.00 32.11 C ATOM 1514 NZ LYS A 90 13.806 -2.933 8.264 1.00 43.31 N ATOM 0 H LYS A 90 9.945 0.671 4.991 1.00 23.02 H new ATOM 0 HA LYS A 90 8.128 -0.804 6.576 1.00 13.33 H new ATOM 0 HB2 LYS A 90 10.907 0.355 7.154 1.00 32.10 H new ATOM 0 HB3 LYS A 90 10.141 -0.923 8.076 1.00 32.10 H new ATOM 0 HG2 LYS A 90 10.241 -2.447 6.148 1.00 32.04 H new ATOM 0 HG3 LYS A 90 10.848 -1.166 5.117 1.00 32.04 H new ATOM 0 HD2 LYS A 90 12.725 -2.574 5.790 1.00 54.02 H new ATOM 0 HD3 LYS A 90 12.909 -1.002 6.542 1.00 54.02 H new ATOM 0 HE2 LYS A 90 11.998 -1.908 8.678 1.00 32.11 H new ATOM 0 HE3 LYS A 90 11.786 -3.478 7.929 1.00 32.11 H new ATOM 0 HZ1 LYS A 90 13.828 -3.399 9.194 1.00 43.31 H new ATOM 0 HZ2 LYS A 90 14.188 -3.579 7.544 1.00 43.31 H new ATOM 0 HZ3 LYS A 90 14.384 -2.069 8.296 1.00 43.31 H new ATOM 1528 N ARG A 91 8.828 2.264 7.589 1.00 53.03 N ATOM 1529 CA ARG A 91 8.452 3.348 8.498 1.00 14.11 C ATOM 1530 C ARG A 91 6.967 3.680 8.351 1.00 35.12 C ATOM 1531 O ARG A 91 6.258 3.680 9.344 1.00 55.33 O ATOM 1532 CB ARG A 91 9.299 4.622 8.254 1.00 65.13 C ATOM 1533 CG ARG A 91 8.986 5.772 9.242 1.00 24.01 C ATOM 1534 CD ARG A 91 9.745 7.064 8.924 1.00 71.03 C ATOM 1535 NE ARG A 91 9.436 8.126 9.894 1.00 52.02 N ATOM 1536 CZ ARG A 91 9.304 9.431 9.615 1.00 73.21 C ATOM 1537 NH1 ARG A 91 9.443 9.888 8.369 1.00 65.42 N ATOM 1538 NH2 ARG A 91 9.025 10.277 10.596 1.00 21.01 N ATOM 0 H ARG A 91 9.523 2.534 6.893 1.00 53.03 H new ATOM 0 HA ARG A 91 8.647 3.001 9.513 1.00 14.11 H new ATOM 0 HB2 ARG A 91 10.356 4.366 8.330 1.00 65.13 H new ATOM 0 HB3 ARG A 91 9.129 4.972 7.236 1.00 65.13 H new ATOM 0 HG2 ARG A 91 7.915 5.974 9.227 1.00 24.01 H new ATOM 0 HG3 ARG A 91 9.235 5.451 10.253 1.00 24.01 H new ATOM 0 HD2 ARG A 91 10.817 6.867 8.928 1.00 71.03 H new ATOM 0 HD3 ARG A 91 9.487 7.401 7.920 1.00 71.03 H new ATOM 0 HE ARG A 91 9.311 7.844 10.866 1.00 52.02 H new ATOM 0 HH11 ARG A 91 9.653 9.241 7.609 1.00 65.42 H new ATOM 0 HH12 ARG A 91 9.339 10.884 8.177 1.00 65.42 H new ATOM 0 HH21 ARG A 91 8.913 9.933 11.550 1.00 21.01 H new ATOM 0 HH22 ARG A 91 8.922 11.272 10.397 1.00 21.01 H new ATOM 1552 N TRP A 92 6.504 3.945 7.107 1.00 71.11 N ATOM 1553 CA TRP A 92 5.097 4.308 6.829 1.00 50.12 C ATOM 1554 C TRP A 92 4.088 3.215 7.249 1.00 62.02 C ATOM 1555 O TRP A 92 2.933 3.530 7.545 1.00 60.41 O ATOM 1556 CB TRP A 92 4.907 4.668 5.331 1.00 74.23 C ATOM 1557 CG TRP A 92 5.693 5.885 4.869 1.00 74.15 C ATOM 1558 CD1 TRP A 92 6.594 5.956 3.837 1.00 62.41 C ATOM 1559 CD2 TRP A 92 5.629 7.213 5.420 1.00 75.01 C ATOM 1560 NE1 TRP A 92 7.104 7.224 3.737 1.00 5.32 N ATOM 1561 CE2 TRP A 92 6.524 8.013 4.691 1.00 55.22 C ATOM 1562 CE3 TRP A 92 4.906 7.798 6.459 1.00 4.21 C ATOM 1563 CZ2 TRP A 92 6.714 9.364 4.967 1.00 43.34 C ATOM 1564 CZ3 TRP A 92 5.093 9.138 6.733 1.00 24.23 C ATOM 1565 CH2 TRP A 92 5.993 9.909 5.991 1.00 71.44 C ATOM 0 H TRP A 92 7.092 3.913 6.274 1.00 71.11 H new ATOM 0 HA TRP A 92 4.883 5.183 7.443 1.00 50.12 H new ATOM 0 HB2 TRP A 92 5.200 3.811 4.725 1.00 74.23 H new ATOM 0 HB3 TRP A 92 3.848 4.843 5.144 1.00 74.23 H new ATOM 0 HD1 TRP A 92 6.863 5.130 3.195 1.00 62.41 H new ATOM 0 HE1 TRP A 92 7.803 7.530 3.060 1.00 5.32 H new ATOM 0 HE3 TRP A 92 4.210 7.212 7.041 1.00 4.21 H new ATOM 0 HZ2 TRP A 92 7.407 9.960 4.392 1.00 43.34 H new ATOM 0 HZ3 TRP A 92 4.534 9.599 7.534 1.00 24.23 H new ATOM 0 HH2 TRP A 92 6.120 10.954 6.232 1.00 71.44 H new ATOM 1576 N ILE A 93 4.537 1.942 7.267 1.00 34.15 N ATOM 1577 CA ILE A 93 3.737 0.808 7.775 1.00 41.24 C ATOM 1578 C ILE A 93 3.588 0.913 9.307 1.00 72.55 C ATOM 1579 O ILE A 93 2.484 0.739 9.846 1.00 10.23 O ATOM 1580 CB ILE A 93 4.387 -0.566 7.350 1.00 64.21 C ATOM 1581 CG1 ILE A 93 4.295 -0.731 5.799 1.00 21.42 C ATOM 1582 CG2 ILE A 93 3.760 -1.782 8.086 1.00 24.45 C ATOM 1583 CD1 ILE A 93 4.967 -1.968 5.249 1.00 60.13 C ATOM 0 H ILE A 93 5.461 1.672 6.931 1.00 34.15 H new ATOM 0 HA ILE A 93 2.741 0.849 7.333 1.00 41.24 H new ATOM 0 HB ILE A 93 5.435 -0.545 7.649 1.00 64.21 H new ATOM 0 HG12 ILE A 93 3.244 -0.749 5.512 1.00 21.42 H new ATOM 0 HG13 ILE A 93 4.739 0.146 5.328 1.00 21.42 H new ATOM 0 HG21 ILE A 93 4.247 -2.699 7.754 1.00 24.45 H new ATOM 0 HG22 ILE A 93 3.898 -1.667 9.161 1.00 24.45 H new ATOM 0 HG23 ILE A 93 2.695 -1.834 7.860 1.00 24.45 H new ATOM 0 HD11 ILE A 93 4.850 -1.995 4.166 1.00 60.13 H new ATOM 0 HD12 ILE A 93 6.028 -1.947 5.499 1.00 60.13 H new ATOM 0 HD13 ILE A 93 4.509 -2.856 5.685 1.00 60.13 H new ATOM 1595 N LYS A 94 4.712 1.228 9.993 1.00 73.11 N ATOM 1596 CA LYS A 94 4.723 1.487 11.447 1.00 60.22 C ATOM 1597 C LYS A 94 3.817 2.692 11.787 1.00 63.42 C ATOM 1598 O LYS A 94 2.998 2.604 12.707 1.00 13.24 O ATOM 1599 CB LYS A 94 6.171 1.751 11.942 1.00 74.02 C ATOM 1600 CG LYS A 94 6.293 1.979 13.473 1.00 33.32 C ATOM 1601 CD LYS A 94 7.613 2.674 13.896 1.00 14.12 C ATOM 1602 CE LYS A 94 7.783 4.055 13.230 1.00 71.52 C ATOM 1603 NZ LYS A 94 8.859 4.860 13.860 1.00 64.21 N ATOM 0 H LYS A 94 5.630 1.309 9.555 1.00 73.11 H new ATOM 0 HA LYS A 94 4.337 0.604 11.955 1.00 60.22 H new ATOM 0 HB2 LYS A 94 6.798 0.905 11.662 1.00 74.02 H new ATOM 0 HB3 LYS A 94 6.566 2.625 11.424 1.00 74.02 H new ATOM 0 HG2 LYS A 94 5.451 2.583 13.810 1.00 33.32 H new ATOM 0 HG3 LYS A 94 6.220 1.018 13.982 1.00 33.32 H new ATOM 0 HD2 LYS A 94 7.629 2.791 14.980 1.00 14.12 H new ATOM 0 HD3 LYS A 94 8.458 2.038 13.631 1.00 14.12 H new ATOM 0 HE2 LYS A 94 8.007 3.920 12.172 1.00 71.52 H new ATOM 0 HE3 LYS A 94 6.842 4.602 13.289 1.00 71.52 H new ATOM 0 HZ1 LYS A 94 8.934 5.778 13.377 1.00 64.21 H new ATOM 0 HZ2 LYS A 94 8.635 5.014 14.864 1.00 64.21 H new ATOM 0 HZ3 LYS A 94 9.764 4.353 13.781 1.00 64.21 H new ATOM 1617 N GLU A 95 3.941 3.783 10.988 1.00 73.04 N ATOM 1618 CA GLU A 95 3.179 5.035 11.177 1.00 24.50 C ATOM 1619 C GLU A 95 1.664 4.756 11.104 1.00 72.20 C ATOM 1620 O GLU A 95 0.895 5.216 11.946 1.00 63.34 O ATOM 1621 CB GLU A 95 3.551 6.082 10.084 1.00 61.24 C ATOM 1622 CG GLU A 95 5.032 6.520 10.033 1.00 24.30 C ATOM 1623 CD GLU A 95 5.513 7.252 11.295 1.00 2.23 C ATOM 1624 OE1 GLU A 95 4.964 8.333 11.603 1.00 3.53 O ATOM 1625 OE2 GLU A 95 6.425 6.758 11.990 1.00 32.43 O ATOM 0 H GLU A 95 4.577 3.814 10.191 1.00 73.04 H new ATOM 0 HA GLU A 95 3.434 5.434 12.159 1.00 24.50 H new ATOM 0 HB2 GLU A 95 3.282 5.671 9.111 1.00 61.24 H new ATOM 0 HB3 GLU A 95 2.937 6.969 10.237 1.00 61.24 H new ATOM 0 HG2 GLU A 95 5.655 5.639 9.877 1.00 24.30 H new ATOM 0 HG3 GLU A 95 5.178 7.171 9.171 1.00 24.30 H new ATOM 1632 N PHE A 96 1.293 3.957 10.083 1.00 64.34 N ATOM 1633 CA PHE A 96 -0.092 3.564 9.754 1.00 4.12 C ATOM 1634 C PHE A 96 -0.753 2.785 10.912 1.00 42.13 C ATOM 1635 O PHE A 96 -1.968 2.915 11.158 1.00 33.30 O ATOM 1636 CB PHE A 96 -0.040 2.713 8.457 1.00 10.40 C ATOM 1637 CG PHE A 96 -1.380 2.292 7.868 1.00 3.44 C ATOM 1638 CD1 PHE A 96 -2.221 3.226 7.264 1.00 13.43 C ATOM 1639 CD2 PHE A 96 -1.776 0.952 7.875 1.00 62.44 C ATOM 1640 CE1 PHE A 96 -3.415 2.829 6.700 1.00 51.21 C ATOM 1641 CE2 PHE A 96 -2.968 0.563 7.317 1.00 41.10 C ATOM 1642 CZ PHE A 96 -3.783 1.498 6.726 1.00 72.23 C ATOM 0 H PHE A 96 1.975 3.553 9.441 1.00 64.34 H new ATOM 0 HA PHE A 96 -0.705 4.452 9.599 1.00 4.12 H new ATOM 0 HB2 PHE A 96 0.504 3.278 7.700 1.00 10.40 H new ATOM 0 HB3 PHE A 96 0.541 1.814 8.662 1.00 10.40 H new ATOM 0 HD1 PHE A 96 -1.935 4.267 7.238 1.00 13.43 H new ATOM 0 HD2 PHE A 96 -1.134 0.211 8.327 1.00 62.44 H new ATOM 0 HE1 PHE A 96 -4.063 3.559 6.238 1.00 51.21 H new ATOM 0 HE2 PHE A 96 -3.265 -0.475 7.342 1.00 41.10 H new ATOM 0 HZ PHE A 96 -4.717 1.190 6.279 1.00 72.23 H new ATOM 1652 N SER A 97 0.070 1.985 11.616 1.00 71.33 N ATOM 1653 CA SER A 97 -0.358 1.203 12.787 1.00 53.20 C ATOM 1654 C SER A 97 -0.515 2.103 14.033 1.00 25.31 C ATOM 1655 O SER A 97 -1.463 1.934 14.805 1.00 14.34 O ATOM 1656 CB SER A 97 0.656 0.077 13.062 1.00 52.41 C ATOM 1657 OG SER A 97 0.806 -0.750 11.926 1.00 42.43 O ATOM 0 H SER A 97 1.056 1.864 11.385 1.00 71.33 H new ATOM 0 HA SER A 97 -1.331 0.763 12.570 1.00 53.20 H new ATOM 0 HB2 SER A 97 1.620 0.507 13.334 1.00 52.41 H new ATOM 0 HB3 SER A 97 0.322 -0.520 13.911 1.00 52.41 H new ATOM 0 HG SER A 97 1.419 -0.325 11.290 1.00 42.43 H new