USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 584 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 51 LYS NZ :NH3+ -160:sc= 0.0499 (180deg=-0.365) USER MOD Set 1.2: A 61 TYR OH : rot 180:sc= 0.108 USER MOD Set 2.1: A 21 ASN : amide:sc= 0.832 X(o=1.9,f=1.9) USER MOD Set 2.2: A 27 SER OG : rot 107:sc= 1.04 USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 ASN :FLIP amide:sc= 0 F(o=-0.77,f=0) USER MOD Single : A 15 HIS :FLIP no HE2:sc= 0.671 F(o=-2.4!,f=0.71) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -116:sc= 0 (180deg=-1.4!) USER MOD Single : A 25 LYS NZ :NH3+ 168:sc= 1.16 (180deg=1.06) USER MOD Single : A 29 LYS NZ :NH3+ -174:sc= 1.23 (180deg=1.14) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN :FLIP amide:sc= -0.264 F(o=-1.5!,f=-0.26) USER MOD Single : A 49 THR OG1 : rot -160:sc= 0.00239 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -158:sc= -0.102 (180deg=-0.466) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 HIS :FLIP no HD1:sc= -1.71 F(o=-3.2!,f=-1.7) USER MOD Single : A 80 GLN : amide:sc= -0.023 X(o=-0.023,f=-0.29) USER MOD ----------------------------------------------------------------- ATOM 34 N VAL A 3 -8.936 -6.211 -8.949 1.00 74.21 N ATOM 35 CA VAL A 3 -8.523 -5.701 -7.647 1.00 3.51 C ATOM 36 C VAL A 3 -7.636 -6.702 -6.910 1.00 61.34 C ATOM 37 O VAL A 3 -6.722 -6.313 -6.186 1.00 52.45 O ATOM 38 CB VAL A 3 -9.744 -5.322 -6.775 1.00 13.10 C ATOM 39 CG1 VAL A 3 -10.582 -6.543 -6.420 1.00 4.01 C ATOM 40 CG2 VAL A 3 -9.307 -4.583 -5.520 1.00 0.32 C ATOM 0 HA VAL A 3 -7.940 -4.798 -7.829 1.00 3.51 H new ATOM 0 HB VAL A 3 -10.371 -4.654 -7.365 1.00 13.10 H new ATOM 0 HG11 VAL A 3 -11.430 -6.237 -5.807 1.00 4.01 H new ATOM 0 HG12 VAL A 3 -10.946 -7.013 -7.334 1.00 4.01 H new ATOM 0 HG13 VAL A 3 -9.971 -7.254 -5.864 1.00 4.01 H new ATOM 0 HG21 VAL A 3 -10.183 -4.328 -4.924 1.00 0.32 H new ATOM 0 HG22 VAL A 3 -8.644 -5.220 -4.935 1.00 0.32 H new ATOM 0 HG23 VAL A 3 -8.780 -3.671 -5.800 1.00 0.32 H new ATOM 50 N ASP A 4 -7.887 -7.986 -7.128 1.00 1.02 N ATOM 51 CA ASP A 4 -7.095 -9.041 -6.500 1.00 51.51 C ATOM 52 C ASP A 4 -5.632 -8.922 -6.906 1.00 62.01 C ATOM 53 O ASP A 4 -4.732 -9.013 -6.073 1.00 62.00 O ATOM 54 CB ASP A 4 -7.634 -10.418 -6.893 1.00 53.45 C ATOM 55 CG ASP A 4 -6.835 -11.554 -6.285 1.00 11.00 C ATOM 56 OD1 ASP A 4 -7.181 -11.999 -5.168 1.00 12.11 O ATOM 57 OD2 ASP A 4 -5.870 -12.016 -6.925 1.00 54.23 O ATOM 0 H ASP A 4 -8.633 -8.325 -7.735 1.00 1.02 H new ATOM 0 HA ASP A 4 -7.170 -8.928 -5.419 1.00 51.51 H new ATOM 0 HB2 ASP A 4 -8.674 -10.501 -6.577 1.00 53.45 H new ATOM 0 HB3 ASP A 4 -7.623 -10.512 -7.979 1.00 53.45 H new ATOM 62 N HIS A 5 -5.402 -8.686 -8.192 1.00 72.41 N ATOM 63 CA HIS A 5 -4.046 -8.559 -8.710 1.00 62.12 C ATOM 64 C HIS A 5 -3.477 -7.179 -8.425 1.00 13.42 C ATOM 65 O HIS A 5 -2.265 -7.012 -8.310 1.00 53.05 O ATOM 66 CB HIS A 5 -4.001 -8.854 -10.207 1.00 71.30 C ATOM 67 CG HIS A 5 -3.943 -10.317 -10.514 1.00 64.33 C ATOM 68 ND1 HIS A 5 -2.765 -10.975 -10.772 1.00 51.15 N ATOM 69 CD2 HIS A 5 -4.920 -11.250 -10.597 1.00 41.33 C ATOM 70 CE1 HIS A 5 -3.016 -12.249 -11.000 1.00 24.13 C ATOM 71 NE2 HIS A 5 -4.316 -12.444 -10.901 1.00 51.42 N ATOM 0 H HIS A 5 -6.135 -8.579 -8.893 1.00 72.41 H new ATOM 0 HA HIS A 5 -3.428 -9.295 -8.196 1.00 62.12 H new ATOM 0 HB2 HIS A 5 -4.882 -8.423 -10.683 1.00 71.30 H new ATOM 0 HB3 HIS A 5 -3.131 -8.362 -10.642 1.00 71.30 H new ATOM 0 HD2 HIS A 5 -5.977 -11.085 -10.451 1.00 41.33 H new ATOM 0 HE1 HIS A 5 -2.280 -13.006 -11.229 1.00 24.13 H new ATOM 0 HE2 HIS A 5 -4.794 -13.336 -11.029 1.00 51.42 H new ATOM 80 N GLU A 6 -4.355 -6.193 -8.305 1.00 23.50 N ATOM 81 CA GLU A 6 -3.937 -4.845 -7.954 1.00 14.31 C ATOM 82 C GLU A 6 -3.371 -4.830 -6.536 1.00 64.00 C ATOM 83 O GLU A 6 -2.485 -4.040 -6.219 1.00 33.22 O ATOM 84 CB GLU A 6 -5.103 -3.860 -8.104 1.00 24.34 C ATOM 85 CG GLU A 6 -5.626 -3.791 -9.533 1.00 24.45 C ATOM 86 CD GLU A 6 -6.701 -2.743 -9.751 1.00 2.03 C ATOM 87 OE1 GLU A 6 -6.349 -1.595 -10.084 1.00 72.15 O ATOM 88 OE2 GLU A 6 -7.902 -3.078 -9.654 1.00 11.34 O ATOM 0 H GLU A 6 -5.359 -6.302 -8.445 1.00 23.50 H new ATOM 0 HA GLU A 6 -3.151 -4.526 -8.638 1.00 14.31 H new ATOM 0 HB2 GLU A 6 -5.913 -4.156 -7.438 1.00 24.34 H new ATOM 0 HB3 GLU A 6 -4.779 -2.868 -7.790 1.00 24.34 H new ATOM 0 HG2 GLU A 6 -4.792 -3.585 -10.204 1.00 24.45 H new ATOM 0 HG3 GLU A 6 -6.024 -4.767 -9.810 1.00 24.45 H new ATOM 95 N VAL A 7 -3.874 -5.731 -5.694 1.00 1.33 N ATOM 96 CA VAL A 7 -3.318 -5.929 -4.361 1.00 52.31 C ATOM 97 C VAL A 7 -1.891 -6.474 -4.459 1.00 22.41 C ATOM 98 O VAL A 7 -0.996 -6.031 -3.740 1.00 60.01 O ATOM 99 CB VAL A 7 -4.184 -6.893 -3.519 1.00 45.23 C ATOM 100 CG1 VAL A 7 -3.556 -7.156 -2.161 1.00 2.22 C ATOM 101 CG2 VAL A 7 -5.585 -6.339 -3.344 1.00 61.44 C ATOM 0 H VAL A 7 -4.666 -6.335 -5.914 1.00 1.33 H new ATOM 0 HA VAL A 7 -3.307 -4.959 -3.863 1.00 52.31 H new ATOM 0 HB VAL A 7 -4.242 -7.839 -4.057 1.00 45.23 H new ATOM 0 HG11 VAL A 7 -4.189 -7.838 -1.593 1.00 2.22 H new ATOM 0 HG12 VAL A 7 -2.571 -7.603 -2.296 1.00 2.22 H new ATOM 0 HG13 VAL A 7 -3.456 -6.216 -1.618 1.00 2.22 H new ATOM 0 HG21 VAL A 7 -6.179 -7.032 -2.748 1.00 61.44 H new ATOM 0 HG22 VAL A 7 -5.535 -5.376 -2.836 1.00 61.44 H new ATOM 0 HG23 VAL A 7 -6.050 -6.210 -4.321 1.00 61.44 H new ATOM 111 N ASN A 8 -1.682 -7.418 -5.373 1.00 3.34 N ATOM 112 CA ASN A 8 -0.349 -7.975 -5.611 1.00 15.31 C ATOM 113 C ASN A 8 0.570 -6.913 -6.197 1.00 2.43 C ATOM 114 O ASN A 8 1.779 -6.916 -5.967 1.00 33.21 O ATOM 115 CB ASN A 8 -0.426 -9.167 -6.567 1.00 11.42 C ATOM 116 CG ASN A 8 0.914 -9.859 -6.783 1.00 63.44 C ATOM 117 OD1 ASN A 8 1.744 -9.912 -5.748 1.00 44.33 O flip ATOM 118 ND2 ASN A 8 1.193 -10.361 -7.870 1.00 71.43 N flip ATOM 0 H ASN A 8 -2.415 -7.814 -5.961 1.00 3.34 H new ATOM 0 HA ASN A 8 0.053 -8.312 -4.656 1.00 15.31 H new ATOM 0 HB2 ASN A 8 -1.141 -9.891 -6.176 1.00 11.42 H new ATOM 0 HB3 ASN A 8 -0.810 -8.827 -7.529 1.00 11.42 H new ATOM 0 HD21 ASN A 8 0.531 -10.302 -8.644 1.00 71.43 H new ATOM 0 HD22 ASN A 8 2.086 -10.837 -7.998 1.00 71.43 H new ATOM 125 N LEU A 9 -0.004 -6.009 -6.966 1.00 2.42 N ATOM 126 CA LEU A 9 0.750 -4.900 -7.502 1.00 61.31 C ATOM 127 C LEU A 9 1.136 -3.951 -6.370 1.00 70.32 C ATOM 128 O LEU A 9 2.275 -3.500 -6.283 1.00 13.41 O ATOM 129 CB LEU A 9 -0.067 -4.171 -8.570 1.00 45.43 C ATOM 130 CG LEU A 9 0.614 -2.957 -9.193 1.00 63.03 C ATOM 131 CD1 LEU A 9 1.883 -3.365 -9.928 1.00 74.51 C ATOM 132 CD2 LEU A 9 -0.342 -2.240 -10.130 1.00 42.52 C ATOM 0 H LEU A 9 -0.989 -6.023 -7.232 1.00 2.42 H new ATOM 0 HA LEU A 9 1.660 -5.274 -7.971 1.00 61.31 H new ATOM 0 HB2 LEU A 9 -0.311 -4.878 -9.363 1.00 45.43 H new ATOM 0 HB3 LEU A 9 -1.010 -3.851 -8.127 1.00 45.43 H new ATOM 0 HG LEU A 9 0.895 -2.272 -8.393 1.00 63.03 H new ATOM 0 HD11 LEU A 9 2.351 -2.482 -10.364 1.00 74.51 H new ATOM 0 HD12 LEU A 9 2.574 -3.834 -9.228 1.00 74.51 H new ATOM 0 HD13 LEU A 9 1.634 -4.072 -10.720 1.00 74.51 H new ATOM 0 HD21 LEU A 9 0.157 -1.376 -10.568 1.00 42.52 H new ATOM 0 HD22 LEU A 9 -0.652 -2.920 -10.923 1.00 42.52 H new ATOM 0 HD23 LEU A 9 -1.218 -1.909 -9.572 1.00 42.52 H new ATOM 144 N LEU A 10 0.172 -3.693 -5.491 1.00 40.13 N ATOM 145 CA LEU A 10 0.374 -2.831 -4.330 1.00 63.43 C ATOM 146 C LEU A 10 1.524 -3.334 -3.464 1.00 11.40 C ATOM 147 O LEU A 10 2.393 -2.561 -3.063 1.00 3.15 O ATOM 148 CB LEU A 10 -0.916 -2.769 -3.503 1.00 51.54 C ATOM 149 CG LEU A 10 -0.861 -1.895 -2.249 1.00 12.02 C ATOM 150 CD1 LEU A 10 -0.678 -0.432 -2.625 1.00 63.32 C ATOM 151 CD2 LEU A 10 -2.123 -2.084 -1.418 1.00 3.11 C ATOM 0 H LEU A 10 -0.771 -4.075 -5.563 1.00 40.13 H new ATOM 0 HA LEU A 10 0.630 -1.832 -4.684 1.00 63.43 H new ATOM 0 HB2 LEU A 10 -1.719 -2.403 -4.143 1.00 51.54 H new ATOM 0 HB3 LEU A 10 -1.183 -3.783 -3.205 1.00 51.54 H new ATOM 0 HG LEU A 10 -0.004 -2.201 -1.649 1.00 12.02 H new ATOM 0 HD11 LEU A 10 -0.641 0.174 -1.720 1.00 63.32 H new ATOM 0 HD12 LEU A 10 0.253 -0.313 -3.180 1.00 63.32 H new ATOM 0 HD13 LEU A 10 -1.514 -0.108 -3.245 1.00 63.32 H new ATOM 0 HD21 LEU A 10 -2.070 -1.456 -0.529 1.00 3.11 H new ATOM 0 HD22 LEU A 10 -2.994 -1.803 -2.010 1.00 3.11 H new ATOM 0 HD23 LEU A 10 -2.209 -3.129 -1.120 1.00 3.11 H new ATOM 163 N VAL A 11 1.527 -4.632 -3.182 1.00 64.53 N ATOM 164 CA VAL A 11 2.561 -5.214 -2.339 1.00 41.32 C ATOM 165 C VAL A 11 3.927 -5.149 -3.020 1.00 64.15 C ATOM 166 O VAL A 11 4.942 -4.943 -2.357 1.00 43.13 O ATOM 167 CB VAL A 11 2.234 -6.672 -1.925 1.00 33.32 C ATOM 168 CG1 VAL A 11 0.884 -6.733 -1.240 1.00 4.40 C ATOM 169 CG2 VAL A 11 2.277 -7.625 -3.106 1.00 55.32 C ATOM 0 H VAL A 11 0.831 -5.295 -3.522 1.00 64.53 H new ATOM 0 HA VAL A 11 2.594 -4.616 -1.428 1.00 41.32 H new ATOM 0 HB VAL A 11 3.004 -6.994 -1.224 1.00 33.32 H new ATOM 0 HG11 VAL A 11 0.667 -7.762 -0.955 1.00 4.40 H new ATOM 0 HG12 VAL A 11 0.899 -6.105 -0.349 1.00 4.40 H new ATOM 0 HG13 VAL A 11 0.113 -6.376 -1.923 1.00 4.40 H new ATOM 0 HG21 VAL A 11 2.042 -8.634 -2.768 1.00 55.32 H new ATOM 0 HG22 VAL A 11 1.547 -7.313 -3.852 1.00 55.32 H new ATOM 0 HG23 VAL A 11 3.274 -7.613 -3.547 1.00 55.32 H new ATOM 179 N GLU A 12 3.945 -5.283 -4.347 1.00 62.13 N ATOM 180 CA GLU A 12 5.191 -5.237 -5.111 1.00 73.20 C ATOM 181 C GLU A 12 5.831 -3.859 -4.972 1.00 74.00 C ATOM 182 O GLU A 12 7.042 -3.737 -4.782 1.00 71.41 O ATOM 183 CB GLU A 12 4.920 -5.552 -6.587 1.00 51.24 C ATOM 184 CG GLU A 12 6.002 -6.384 -7.269 1.00 24.42 C ATOM 185 CD GLU A 12 7.327 -5.661 -7.418 1.00 33.24 C ATOM 186 OE1 GLU A 12 7.443 -4.810 -8.322 1.00 55.40 O ATOM 187 OE2 GLU A 12 8.271 -5.969 -6.659 1.00 34.13 O ATOM 0 H GLU A 12 3.110 -5.424 -4.915 1.00 62.13 H new ATOM 0 HA GLU A 12 5.877 -5.987 -4.718 1.00 73.20 H new ATOM 0 HB2 GLU A 12 3.971 -6.082 -6.663 1.00 51.24 H new ATOM 0 HB3 GLU A 12 4.806 -4.614 -7.130 1.00 51.24 H new ATOM 0 HG2 GLU A 12 6.160 -7.298 -6.696 1.00 24.42 H new ATOM 0 HG3 GLU A 12 5.649 -6.683 -8.256 1.00 24.42 H new ATOM 194 N GLU A 13 4.999 -2.824 -5.037 1.00 65.22 N ATOM 195 CA GLU A 13 5.465 -1.457 -4.855 1.00 75.32 C ATOM 196 C GLU A 13 6.068 -1.287 -3.460 1.00 65.40 C ATOM 197 O GLU A 13 7.096 -0.632 -3.293 1.00 21.13 O ATOM 198 CB GLU A 13 4.317 -0.462 -5.059 1.00 3.20 C ATOM 199 CG GLU A 13 3.620 -0.582 -6.410 1.00 55.15 C ATOM 200 CD GLU A 13 4.584 -0.550 -7.579 1.00 3.43 C ATOM 201 OE1 GLU A 13 5.231 0.493 -7.799 1.00 62.01 O ATOM 202 OE2 GLU A 13 4.705 -1.575 -8.284 1.00 33.00 O ATOM 0 H GLU A 13 3.998 -2.908 -5.215 1.00 65.22 H new ATOM 0 HA GLU A 13 6.234 -1.253 -5.600 1.00 75.32 H new ATOM 0 HB2 GLU A 13 3.581 -0.607 -4.268 1.00 3.20 H new ATOM 0 HB3 GLU A 13 4.705 0.551 -4.951 1.00 3.20 H new ATOM 0 HG2 GLU A 13 3.053 -1.513 -6.439 1.00 55.15 H new ATOM 0 HG3 GLU A 13 2.902 0.231 -6.516 1.00 55.15 H new ATOM 209 N ILE A 14 5.437 -1.900 -2.463 1.00 14.42 N ATOM 210 CA ILE A 14 5.929 -1.834 -1.089 1.00 43.22 C ATOM 211 C ILE A 14 7.245 -2.604 -0.944 1.00 62.03 C ATOM 212 O ILE A 14 8.118 -2.212 -0.176 1.00 22.22 O ATOM 213 CB ILE A 14 4.892 -2.378 -0.081 1.00 44.23 C ATOM 214 CG1 ILE A 14 3.563 -1.633 -0.242 1.00 0.22 C ATOM 215 CG2 ILE A 14 5.408 -2.235 1.348 1.00 43.31 C ATOM 216 CD1 ILE A 14 2.454 -2.155 0.646 1.00 14.20 C ATOM 0 H ILE A 14 4.585 -2.448 -2.580 1.00 14.42 H new ATOM 0 HA ILE A 14 6.103 -0.782 -0.863 1.00 43.22 H new ATOM 0 HB ILE A 14 4.731 -3.437 -0.284 1.00 44.23 H new ATOM 0 HG12 ILE A 14 3.722 -0.577 -0.025 1.00 0.22 H new ATOM 0 HG13 ILE A 14 3.244 -1.700 -1.282 1.00 0.22 H new ATOM 0 HG21 ILE A 14 4.664 -2.623 2.044 1.00 43.31 H new ATOM 0 HG22 ILE A 14 6.336 -2.797 1.458 1.00 43.31 H new ATOM 0 HG23 ILE A 14 5.593 -1.183 1.564 1.00 43.31 H new ATOM 0 HD11 ILE A 14 1.547 -1.576 0.473 1.00 14.20 H new ATOM 0 HD12 ILE A 14 2.265 -3.203 0.414 1.00 14.20 H new ATOM 0 HD13 ILE A 14 2.750 -2.062 1.691 1.00 14.20 H new ATOM 228 N HIS A 15 7.382 -3.697 -1.692 1.00 30.03 N ATOM 229 CA HIS A 15 8.632 -4.464 -1.713 1.00 43.34 C ATOM 230 C HIS A 15 9.786 -3.591 -2.198 1.00 53.21 C ATOM 231 O HIS A 15 10.917 -3.711 -1.727 1.00 72.43 O ATOM 232 CB HIS A 15 8.517 -5.686 -2.637 1.00 45.10 C ATOM 233 CG HIS A 15 7.885 -6.901 -2.020 1.00 42.53 C ATOM 234 ND1 HIS A 15 6.587 -7.243 -1.850 1.00 31.20 N flip ATOM 235 CD2 HIS A 15 8.616 -7.961 -1.545 1.00 3.42 C flip ATOM 236 CE1 HIS A 15 6.555 -8.497 -1.289 1.00 51.23 C flip ATOM 237 NE2 HIS A 15 7.797 -8.902 -1.113 1.00 62.02 N flip ATOM 0 H HIS A 15 6.647 -4.073 -2.291 1.00 30.03 H new ATOM 0 HA HIS A 15 8.824 -4.801 -0.694 1.00 43.34 H new ATOM 0 HB2 HIS A 15 7.938 -5.403 -3.516 1.00 45.10 H new ATOM 0 HB3 HIS A 15 9.515 -5.953 -2.985 1.00 45.10 H new ATOM 0 HD1 HIS A 15 5.778 -6.672 -2.094 1.00 31.20 H new ATOM 0 HD2 HIS A 15 9.694 -8.017 -1.527 1.00 3.42 H new ATOM 0 HE1 HIS A 15 5.665 -9.055 -1.036 1.00 51.23 H new ATOM 246 N ARG A 16 9.480 -2.715 -3.143 1.00 34.30 N ATOM 247 CA ARG A 16 10.481 -1.879 -3.786 1.00 34.15 C ATOM 248 C ARG A 16 10.734 -0.589 -3.003 1.00 14.42 C ATOM 249 O ARG A 16 11.878 -0.210 -2.766 1.00 12.33 O ATOM 250 CB ARG A 16 10.006 -1.540 -5.193 1.00 20.24 C ATOM 251 CG ARG A 16 11.093 -1.040 -6.129 1.00 72.14 C ATOM 252 CD ARG A 16 10.496 -0.648 -7.469 1.00 51.13 C ATOM 253 NE ARG A 16 9.455 -1.590 -7.880 1.00 13.25 N ATOM 254 CZ ARG A 16 8.176 -1.252 -8.046 1.00 25.53 C ATOM 255 NH1 ARG A 16 7.808 0.023 -7.991 1.00 72.12 N ATOM 256 NH2 ARG A 16 7.267 -2.184 -8.284 1.00 62.33 N ATOM 0 H ARG A 16 8.531 -2.564 -3.485 1.00 34.30 H new ATOM 0 HA ARG A 16 11.420 -2.431 -3.820 1.00 34.15 H new ATOM 0 HB2 ARG A 16 9.549 -2.428 -5.631 1.00 20.24 H new ATOM 0 HB3 ARG A 16 9.227 -0.781 -5.125 1.00 20.24 H new ATOM 0 HG2 ARG A 16 11.599 -0.183 -5.684 1.00 72.14 H new ATOM 0 HG3 ARG A 16 11.845 -1.816 -6.271 1.00 72.14 H new ATOM 0 HD2 ARG A 16 10.076 0.356 -7.404 1.00 51.13 H new ATOM 0 HD3 ARG A 16 11.281 -0.617 -8.225 1.00 51.13 H new ATOM 0 HE ARG A 16 9.723 -2.560 -8.049 1.00 13.25 H new ATOM 0 HH11 ARG A 16 8.505 0.748 -7.821 1.00 72.12 H new ATOM 0 HH12 ARG A 16 6.828 0.277 -8.119 1.00 72.12 H new ATOM 0 HH21 ARG A 16 7.544 -3.164 -8.341 1.00 62.33 H new ATOM 0 HH22 ARG A 16 6.289 -1.922 -8.411 1.00 62.33 H new ATOM 270 N LEU A 17 9.658 0.081 -2.612 1.00 43.45 N ATOM 271 CA LEU A 17 9.758 1.404 -1.999 1.00 1.35 C ATOM 272 C LEU A 17 9.898 1.316 -0.484 1.00 34.00 C ATOM 273 O LEU A 17 10.404 2.240 0.157 1.00 71.43 O ATOM 274 CB LEU A 17 8.524 2.245 -2.343 1.00 12.45 C ATOM 275 CG LEU A 17 8.217 2.385 -3.837 1.00 54.31 C ATOM 276 CD1 LEU A 17 6.991 3.264 -4.044 1.00 21.24 C ATOM 277 CD2 LEU A 17 9.416 2.949 -4.583 1.00 35.11 C ATOM 0 H LEU A 17 8.704 -0.268 -2.707 1.00 43.45 H new ATOM 0 HA LEU A 17 10.654 1.878 -2.400 1.00 1.35 H new ATOM 0 HB2 LEU A 17 7.657 1.804 -1.851 1.00 12.45 H new ATOM 0 HB3 LEU A 17 8.656 3.242 -1.922 1.00 12.45 H new ATOM 0 HG LEU A 17 8.005 1.395 -4.240 1.00 54.31 H new ATOM 0 HD11 LEU A 17 6.784 3.355 -5.110 1.00 21.24 H new ATOM 0 HD12 LEU A 17 6.133 2.814 -3.545 1.00 21.24 H new ATOM 0 HD13 LEU A 17 7.177 4.253 -3.625 1.00 21.24 H new ATOM 0 HD21 LEU A 17 9.176 3.040 -5.642 1.00 35.11 H new ATOM 0 HD22 LEU A 17 9.665 3.931 -4.182 1.00 35.11 H new ATOM 0 HD23 LEU A 17 10.268 2.280 -4.460 1.00 35.11 H new ATOM 289 N GLY A 18 9.456 0.210 0.083 1.00 40.53 N ATOM 290 CA GLY A 18 9.436 0.076 1.519 1.00 70.23 C ATOM 291 C GLY A 18 10.701 -0.545 2.065 1.00 64.34 C ATOM 292 O GLY A 18 11.493 -1.134 1.325 1.00 62.02 O ATOM 0 H GLY A 18 9.109 -0.601 -0.428 1.00 40.53 H new ATOM 0 HA2 GLY A 18 9.295 1.058 1.969 1.00 70.23 H new ATOM 0 HA3 GLY A 18 8.581 -0.534 1.811 1.00 70.23 H new ATOM 296 N SER A 19 10.889 -0.406 3.363 1.00 22.34 N ATOM 297 CA SER A 19 12.040 -0.973 4.042 1.00 23.13 C ATOM 298 C SER A 19 11.578 -1.922 5.141 1.00 34.14 C ATOM 299 O SER A 19 10.495 -1.749 5.706 1.00 11.43 O ATOM 300 CB SER A 19 12.915 0.148 4.612 1.00 32.43 C ATOM 301 OG SER A 19 12.120 1.140 5.244 1.00 62.45 O ATOM 0 H SER A 19 10.251 0.101 3.976 1.00 22.34 H new ATOM 0 HA SER A 19 12.638 -1.542 3.330 1.00 23.13 H new ATOM 0 HB2 SER A 19 13.623 -0.267 5.329 1.00 32.43 H new ATOM 0 HB3 SER A 19 13.500 0.601 3.811 1.00 32.43 H new ATOM 0 HG SER A 19 12.700 1.845 5.602 1.00 62.45 H new ATOM 307 N LYS A 20 12.384 -2.932 5.428 1.00 34.23 N ATOM 308 CA LYS A 20 12.032 -3.924 6.429 1.00 42.24 C ATOM 309 C LYS A 20 12.262 -3.388 7.834 1.00 20.11 C ATOM 310 O LYS A 20 13.357 -2.941 8.175 1.00 62.35 O ATOM 311 CB LYS A 20 12.823 -5.216 6.210 1.00 34.21 C ATOM 312 CG LYS A 20 12.301 -6.054 5.051 1.00 43.51 C ATOM 313 CD LYS A 20 13.178 -7.272 4.792 1.00 32.52 C ATOM 314 CE LYS A 20 12.578 -8.197 3.734 1.00 45.23 C ATOM 315 NZ LYS A 20 12.457 -7.545 2.400 1.00 2.11 N ATOM 0 H LYS A 20 13.288 -3.086 4.981 1.00 34.23 H new ATOM 0 HA LYS A 20 10.970 -4.147 6.322 1.00 42.24 H new ATOM 0 HB2 LYS A 20 13.868 -4.967 6.027 1.00 34.21 H new ATOM 0 HB3 LYS A 20 12.792 -5.812 7.122 1.00 34.21 H new ATOM 0 HG2 LYS A 20 11.283 -6.379 5.267 1.00 43.51 H new ATOM 0 HG3 LYS A 20 12.256 -5.441 4.151 1.00 43.51 H new ATOM 0 HD2 LYS A 20 14.166 -6.945 4.469 1.00 32.52 H new ATOM 0 HD3 LYS A 20 13.314 -7.825 5.722 1.00 32.52 H new ATOM 0 HE2 LYS A 20 13.199 -9.088 3.643 1.00 45.23 H new ATOM 0 HE3 LYS A 20 11.593 -8.527 4.063 1.00 45.23 H new ATOM 0 HZ1 LYS A 20 11.453 -7.472 2.139 1.00 2.11 H new ATOM 0 HZ2 LYS A 20 12.875 -6.593 2.440 1.00 2.11 H new ATOM 0 HZ3 LYS A 20 12.959 -8.114 1.689 1.00 2.11 H new ATOM 329 N ASN A 21 11.204 -3.417 8.628 1.00 1.14 N ATOM 330 CA ASN A 21 11.261 -2.987 10.022 1.00 15.42 C ATOM 331 C ASN A 21 12.001 -4.002 10.877 1.00 62.12 C ATOM 332 O ASN A 21 12.576 -4.962 10.362 1.00 25.24 O ATOM 333 CB ASN A 21 9.845 -2.787 10.573 1.00 20.40 C ATOM 334 CG ASN A 21 9.212 -1.490 10.113 1.00 51.14 C ATOM 335 OD1 ASN A 21 9.327 -0.460 10.776 1.00 14.13 O ATOM 336 ND2 ASN A 21 8.526 -1.536 8.985 1.00 22.54 N ATOM 0 H ASN A 21 10.283 -3.738 8.329 1.00 1.14 H new ATOM 0 HA ASN A 21 11.802 -2.041 10.059 1.00 15.42 H new ATOM 0 HB2 ASN A 21 9.218 -3.622 10.261 1.00 20.40 H new ATOM 0 HB3 ASN A 21 9.879 -2.803 11.662 1.00 20.40 H new ATOM 0 HD21 ASN A 21 8.066 -0.696 8.633 1.00 22.54 H new ATOM 0 HD22 ASN A 21 8.456 -2.411 8.466 1.00 22.54 H new ATOM 343 N ALA A 22 11.971 -3.787 12.186 1.00 44.14 N ATOM 344 CA ALA A 22 12.635 -4.670 13.136 1.00 75.51 C ATOM 345 C ALA A 22 12.112 -6.103 13.044 1.00 25.04 C ATOM 346 O ALA A 22 12.836 -7.056 13.328 1.00 54.52 O ATOM 347 CB ALA A 22 12.464 -4.130 14.546 1.00 51.13 C ATOM 0 H ALA A 22 11.488 -2.999 12.618 1.00 44.14 H new ATOM 0 HA ALA A 22 13.695 -4.698 12.885 1.00 75.51 H new ATOM 0 HB1 ALA A 22 12.962 -4.794 15.253 1.00 51.13 H new ATOM 0 HB2 ALA A 22 12.904 -3.135 14.610 1.00 51.13 H new ATOM 0 HB3 ALA A 22 11.403 -4.073 14.788 1.00 51.13 H new ATOM 353 N ASP A 23 10.853 -6.248 12.651 1.00 12.04 N ATOM 354 CA ASP A 23 10.245 -7.568 12.502 1.00 72.24 C ATOM 355 C ASP A 23 10.514 -8.139 11.113 1.00 10.23 C ATOM 356 O ASP A 23 10.336 -9.333 10.865 1.00 34.04 O ATOM 357 CB ASP A 23 8.736 -7.475 12.747 1.00 11.54 C ATOM 358 CG ASP A 23 8.028 -8.806 12.588 1.00 74.33 C ATOM 359 OD1 ASP A 23 8.014 -9.599 13.552 1.00 1.35 O ATOM 360 OD2 ASP A 23 7.460 -9.053 11.504 1.00 71.02 O ATOM 0 H ASP A 23 10.232 -5.470 12.429 1.00 12.04 H new ATOM 0 HA ASP A 23 10.691 -8.237 13.238 1.00 72.24 H new ATOM 0 HB2 ASP A 23 8.559 -7.093 13.753 1.00 11.54 H new ATOM 0 HB3 ASP A 23 8.304 -6.755 12.052 1.00 11.54 H new ATOM 365 N GLY A 24 10.977 -7.286 10.213 1.00 62.41 N ATOM 366 CA GLY A 24 11.171 -7.697 8.840 1.00 44.23 C ATOM 367 C GLY A 24 9.987 -7.341 7.963 1.00 15.41 C ATOM 368 O GLY A 24 9.940 -7.713 6.792 1.00 43.11 O ATOM 0 H GLY A 24 11.222 -6.316 10.410 1.00 62.41 H new ATOM 0 HA2 GLY A 24 12.069 -7.223 8.444 1.00 44.23 H new ATOM 0 HA3 GLY A 24 11.336 -8.774 8.805 1.00 44.23 H new ATOM 372 N LYS A 25 9.034 -6.606 8.527 1.00 52.22 N ATOM 373 CA LYS A 25 7.867 -6.167 7.773 1.00 1.32 C ATOM 374 C LYS A 25 8.195 -4.899 6.998 1.00 73.22 C ATOM 375 O LYS A 25 8.736 -3.945 7.556 1.00 71.40 O ATOM 376 CB LYS A 25 6.675 -5.907 8.704 1.00 72.15 C ATOM 377 CG LYS A 25 6.059 -7.160 9.308 1.00 14.52 C ATOM 378 CD LYS A 25 4.779 -6.827 10.063 1.00 4.51 C ATOM 379 CE LYS A 25 4.121 -8.068 10.648 1.00 53.42 C ATOM 380 NZ LYS A 25 4.895 -8.627 11.787 1.00 15.44 N ATOM 0 H LYS A 25 9.047 -6.303 9.501 1.00 52.22 H new ATOM 0 HA LYS A 25 7.596 -6.961 7.077 1.00 1.32 H new ATOM 0 HB2 LYS A 25 6.998 -5.251 9.512 1.00 72.15 H new ATOM 0 HB3 LYS A 25 5.906 -5.372 8.147 1.00 72.15 H new ATOM 0 HG2 LYS A 25 5.844 -7.881 8.519 1.00 14.52 H new ATOM 0 HG3 LYS A 25 6.773 -7.631 9.984 1.00 14.52 H new ATOM 0 HD2 LYS A 25 5.004 -6.124 10.865 1.00 4.51 H new ATOM 0 HD3 LYS A 25 4.080 -6.330 9.390 1.00 4.51 H new ATOM 0 HE2 LYS A 25 3.113 -7.820 10.982 1.00 53.42 H new ATOM 0 HE3 LYS A 25 4.022 -8.826 9.871 1.00 53.42 H new ATOM 0 HZ1 LYS A 25 4.320 -9.338 12.282 1.00 15.44 H new ATOM 0 HZ2 LYS A 25 5.765 -9.072 11.431 1.00 15.44 H new ATOM 0 HZ3 LYS A 25 5.143 -7.862 12.447 1.00 15.44 H new ATOM 394 N LEU A 26 7.877 -4.904 5.713 1.00 14.12 N ATOM 395 CA LEU A 26 8.136 -3.763 4.843 1.00 60.54 C ATOM 396 C LEU A 26 7.134 -2.663 5.090 1.00 41.15 C ATOM 397 O LEU A 26 5.932 -2.893 5.071 1.00 42.01 O ATOM 398 CB LEU A 26 8.072 -4.196 3.373 1.00 62.24 C ATOM 399 CG LEU A 26 9.177 -5.146 2.915 1.00 43.35 C ATOM 400 CD1 LEU A 26 8.773 -5.840 1.626 1.00 74.13 C ATOM 401 CD2 LEU A 26 10.477 -4.385 2.711 1.00 3.44 C ATOM 0 H LEU A 26 7.434 -5.694 5.244 1.00 14.12 H new ATOM 0 HA LEU A 26 9.133 -3.384 5.066 1.00 60.54 H new ATOM 0 HB2 LEU A 26 7.109 -4.675 3.196 1.00 62.24 H new ATOM 0 HB3 LEU A 26 8.103 -3.303 2.748 1.00 62.24 H new ATOM 0 HG LEU A 26 9.329 -5.899 3.688 1.00 43.35 H new ATOM 0 HD11 LEU A 26 9.569 -6.514 1.311 1.00 74.13 H new ATOM 0 HD12 LEU A 26 7.859 -6.410 1.791 1.00 74.13 H new ATOM 0 HD13 LEU A 26 8.600 -5.094 0.850 1.00 74.13 H new ATOM 0 HD21 LEU A 26 11.255 -5.075 2.385 1.00 3.44 H new ATOM 0 HD22 LEU A 26 10.333 -3.616 1.953 1.00 3.44 H new ATOM 0 HD23 LEU A 26 10.776 -3.918 3.649 1.00 3.44 H new ATOM 413 N SER A 27 7.631 -1.472 5.339 1.00 63.44 N ATOM 414 CA SER A 27 6.767 -0.334 5.497 1.00 42.23 C ATOM 415 C SER A 27 7.236 0.805 4.625 1.00 71.43 C ATOM 416 O SER A 27 8.439 0.985 4.407 1.00 14.44 O ATOM 417 CB SER A 27 6.719 0.104 6.952 1.00 34.54 C ATOM 418 OG SER A 27 7.955 0.641 7.386 1.00 4.31 O ATOM 0 H SER A 27 8.626 -1.271 5.435 1.00 63.44 H new ATOM 0 HA SER A 27 5.761 -0.621 5.189 1.00 42.23 H new ATOM 0 HB2 SER A 27 5.935 0.850 7.080 1.00 34.54 H new ATOM 0 HB3 SER A 27 6.454 -0.748 7.578 1.00 34.54 H new ATOM 0 HG SER A 27 7.876 1.614 7.475 1.00 4.31 H new ATOM 424 N VAL A 28 6.289 1.554 4.113 1.00 32.41 N ATOM 425 CA VAL A 28 6.606 2.722 3.337 1.00 73.42 C ATOM 426 C VAL A 28 5.581 3.810 3.613 1.00 71.23 C ATOM 427 O VAL A 28 4.389 3.526 3.741 1.00 70.10 O ATOM 428 CB VAL A 28 6.673 2.410 1.820 1.00 22.44 C ATOM 429 CG1 VAL A 28 5.347 1.862 1.311 1.00 44.12 C ATOM 430 CG2 VAL A 28 7.084 3.645 1.030 1.00 12.33 C ATOM 0 H VAL A 28 5.291 1.372 4.222 1.00 32.41 H new ATOM 0 HA VAL A 28 7.595 3.068 3.636 1.00 73.42 H new ATOM 0 HB VAL A 28 7.432 1.642 1.672 1.00 22.44 H new ATOM 0 HG11 VAL A 28 5.425 1.653 0.244 1.00 44.12 H new ATOM 0 HG12 VAL A 28 5.105 0.943 1.844 1.00 44.12 H new ATOM 0 HG13 VAL A 28 4.561 2.598 1.480 1.00 44.12 H new ATOM 0 HG21 VAL A 28 7.124 3.401 -0.032 1.00 12.33 H new ATOM 0 HG22 VAL A 28 6.356 4.440 1.193 1.00 12.33 H new ATOM 0 HG23 VAL A 28 8.067 3.979 1.363 1.00 12.33 H new ATOM 440 N LYS A 29 6.047 5.038 3.744 1.00 60.14 N ATOM 441 CA LYS A 29 5.157 6.153 4.003 1.00 14.01 C ATOM 442 C LYS A 29 4.269 6.417 2.801 1.00 33.41 C ATOM 443 O LYS A 29 4.736 6.451 1.658 1.00 24.14 O ATOM 444 CB LYS A 29 5.943 7.409 4.373 1.00 4.24 C ATOM 445 CG LYS A 29 6.732 7.255 5.659 1.00 45.44 C ATOM 446 CD LYS A 29 7.306 8.580 6.124 1.00 72.42 C ATOM 447 CE LYS A 29 8.184 8.403 7.348 1.00 52.32 C ATOM 448 NZ LYS A 29 8.611 9.707 7.915 1.00 4.24 N ATOM 0 H LYS A 29 7.034 5.288 3.676 1.00 60.14 H new ATOM 0 HA LYS A 29 4.525 5.888 4.851 1.00 14.01 H new ATOM 0 HB2 LYS A 29 6.627 7.656 3.561 1.00 4.24 H new ATOM 0 HB3 LYS A 29 5.253 8.247 4.474 1.00 4.24 H new ATOM 0 HG2 LYS A 29 6.087 6.845 6.436 1.00 45.44 H new ATOM 0 HG3 LYS A 29 7.541 6.541 5.507 1.00 45.44 H new ATOM 0 HD2 LYS A 29 7.888 9.029 5.319 1.00 72.42 H new ATOM 0 HD3 LYS A 29 6.494 9.270 6.353 1.00 72.42 H new ATOM 0 HE2 LYS A 29 7.641 7.838 8.106 1.00 52.32 H new ATOM 0 HE3 LYS A 29 9.064 7.817 7.082 1.00 52.32 H new ATOM 0 HZ1 LYS A 29 9.290 9.545 8.686 1.00 4.24 H new ATOM 0 HZ2 LYS A 29 9.062 10.278 7.172 1.00 4.24 H new ATOM 0 HZ3 LYS A 29 7.781 10.213 8.285 1.00 4.24 H new ATOM 462 N PHE A 30 2.985 6.601 3.075 1.00 51.41 N ATOM 463 CA PHE A 30 1.988 6.825 2.043 1.00 0.54 C ATOM 464 C PHE A 30 2.318 8.078 1.242 1.00 22.21 C ATOM 465 O PHE A 30 1.942 8.192 0.081 1.00 52.21 O ATOM 466 CB PHE A 30 0.595 6.947 2.669 1.00 2.14 C ATOM 467 CG PHE A 30 -0.521 6.884 1.665 1.00 4.42 C ATOM 468 CD1 PHE A 30 -0.691 5.760 0.876 1.00 62.11 C ATOM 469 CD2 PHE A 30 -1.399 7.943 1.515 1.00 55.23 C ATOM 470 CE1 PHE A 30 -1.716 5.695 -0.047 1.00 51.11 C ATOM 471 CE2 PHE A 30 -2.426 7.884 0.594 1.00 62.44 C ATOM 472 CZ PHE A 30 -2.585 6.759 -0.188 1.00 22.13 C ATOM 0 H PHE A 30 2.607 6.599 4.022 1.00 51.41 H new ATOM 0 HA PHE A 30 1.995 5.971 1.366 1.00 0.54 H new ATOM 0 HB2 PHE A 30 0.462 6.148 3.399 1.00 2.14 H new ATOM 0 HB3 PHE A 30 0.531 7.889 3.213 1.00 2.14 H new ATOM 0 HD1 PHE A 30 -0.015 4.925 0.983 1.00 62.11 H new ATOM 0 HD2 PHE A 30 -1.280 8.826 2.125 1.00 55.23 H new ATOM 0 HE1 PHE A 30 -1.838 4.813 -0.658 1.00 51.11 H new ATOM 0 HE2 PHE A 30 -3.104 8.718 0.486 1.00 62.44 H new ATOM 0 HZ PHE A 30 -3.387 6.710 -0.909 1.00 22.13 H new ATOM 482 N GLY A 31 3.031 9.010 1.867 1.00 4.40 N ATOM 483 CA GLY A 31 3.455 10.206 1.168 1.00 21.23 C ATOM 484 C GLY A 31 4.381 9.890 0.011 1.00 65.24 C ATOM 485 O GLY A 31 4.315 10.524 -1.040 1.00 75.33 O ATOM 0 H GLY A 31 3.321 8.957 2.843 1.00 4.40 H new ATOM 0 HA2 GLY A 31 2.579 10.738 0.796 1.00 21.23 H new ATOM 0 HA3 GLY A 31 3.961 10.873 1.866 1.00 21.23 H new ATOM 489 N VAL A 32 5.232 8.890 0.203 1.00 4.44 N ATOM 490 CA VAL A 32 6.169 8.471 -0.828 1.00 22.31 C ATOM 491 C VAL A 32 5.450 7.659 -1.901 1.00 21.55 C ATOM 492 O VAL A 32 5.606 7.912 -3.096 1.00 31.22 O ATOM 493 CB VAL A 32 7.318 7.629 -0.230 1.00 32.51 C ATOM 494 CG1 VAL A 32 8.335 7.262 -1.300 1.00 34.34 C ATOM 495 CG2 VAL A 32 7.990 8.368 0.920 1.00 14.25 C ATOM 0 H VAL A 32 5.291 8.353 1.068 1.00 4.44 H new ATOM 0 HA VAL A 32 6.592 9.370 -1.275 1.00 22.31 H new ATOM 0 HB VAL A 32 6.890 6.707 0.162 1.00 32.51 H new ATOM 0 HG11 VAL A 32 9.134 6.669 -0.855 1.00 34.34 H new ATOM 0 HG12 VAL A 32 7.846 6.682 -2.083 1.00 34.34 H new ATOM 0 HG13 VAL A 32 8.754 8.171 -1.730 1.00 34.34 H new ATOM 0 HG21 VAL A 32 8.796 7.755 1.325 1.00 14.25 H new ATOM 0 HG22 VAL A 32 8.399 9.311 0.557 1.00 14.25 H new ATOM 0 HG23 VAL A 32 7.257 8.567 1.702 1.00 14.25 H new ATOM 505 N LEU A 33 4.649 6.694 -1.456 1.00 52.51 N ATOM 506 CA LEU A 33 3.896 5.830 -2.361 1.00 52.43 C ATOM 507 C LEU A 33 2.968 6.667 -3.244 1.00 54.34 C ATOM 508 O LEU A 33 2.921 6.481 -4.459 1.00 11.15 O ATOM 509 CB LEU A 33 3.089 4.807 -1.543 1.00 65.42 C ATOM 510 CG LEU A 33 2.701 3.507 -2.265 1.00 50.05 C ATOM 511 CD1 LEU A 33 2.163 2.496 -1.266 1.00 62.03 C ATOM 512 CD2 LEU A 33 1.663 3.759 -3.350 1.00 4.14 C ATOM 0 H LEU A 33 4.504 6.490 -0.467 1.00 52.51 H new ATOM 0 HA LEU A 33 4.590 5.295 -3.009 1.00 52.43 H new ATOM 0 HB2 LEU A 33 3.667 4.546 -0.657 1.00 65.42 H new ATOM 0 HB3 LEU A 33 2.176 5.291 -1.197 1.00 65.42 H new ATOM 0 HG LEU A 33 3.598 3.110 -2.740 1.00 50.05 H new ATOM 0 HD11 LEU A 33 1.891 1.578 -1.788 1.00 62.03 H new ATOM 0 HD12 LEU A 33 2.929 2.277 -0.522 1.00 62.03 H new ATOM 0 HD13 LEU A 33 1.283 2.907 -0.771 1.00 62.03 H new ATOM 0 HD21 LEU A 33 1.412 2.818 -3.839 1.00 4.14 H new ATOM 0 HD22 LEU A 33 0.765 4.186 -2.903 1.00 4.14 H new ATOM 0 HD23 LEU A 33 2.067 4.454 -4.086 1.00 4.14 H new ATOM 524 N PHE A 34 2.258 7.606 -2.624 1.00 20.32 N ATOM 525 CA PHE A 34 1.346 8.489 -3.348 1.00 41.14 C ATOM 526 C PHE A 34 2.110 9.316 -4.374 1.00 61.05 C ATOM 527 O PHE A 34 1.678 9.465 -5.515 1.00 65.54 O ATOM 528 CB PHE A 34 0.610 9.410 -2.365 1.00 65.13 C ATOM 529 CG PHE A 34 -0.391 10.329 -3.009 1.00 72.23 C ATOM 530 CD1 PHE A 34 -1.644 9.862 -3.376 1.00 14.31 C ATOM 531 CD2 PHE A 34 -0.084 11.661 -3.234 1.00 1.33 C ATOM 532 CE1 PHE A 34 -2.571 10.708 -3.956 1.00 24.11 C ATOM 533 CE2 PHE A 34 -1.006 12.511 -3.816 1.00 41.54 C ATOM 534 CZ PHE A 34 -2.251 12.034 -4.177 1.00 52.01 C ATOM 0 H PHE A 34 2.297 7.776 -1.619 1.00 20.32 H new ATOM 0 HA PHE A 34 0.612 7.877 -3.873 1.00 41.14 H new ATOM 0 HB2 PHE A 34 0.098 8.796 -1.624 1.00 65.13 H new ATOM 0 HB3 PHE A 34 1.345 10.011 -1.829 1.00 65.13 H new ATOM 0 HD1 PHE A 34 -1.899 8.826 -3.207 1.00 14.31 H new ATOM 0 HD2 PHE A 34 0.887 12.040 -2.951 1.00 1.33 H new ATOM 0 HE1 PHE A 34 -3.544 10.333 -4.236 1.00 24.11 H new ATOM 0 HE2 PHE A 34 -0.753 13.547 -3.988 1.00 41.54 H new ATOM 0 HZ PHE A 34 -2.973 12.696 -4.631 1.00 52.01 H new ATOM 544 N ARG A 35 3.255 9.839 -3.957 1.00 61.15 N ATOM 545 CA ARG A 35 4.102 10.647 -4.823 1.00 4.33 C ATOM 546 C ARG A 35 4.550 9.853 -6.048 1.00 3.52 C ATOM 547 O ARG A 35 4.489 10.345 -7.177 1.00 71.42 O ATOM 548 CB ARG A 35 5.326 11.116 -4.046 1.00 10.32 C ATOM 549 CG ARG A 35 6.270 11.980 -4.860 1.00 22.21 C ATOM 550 CD ARG A 35 7.669 11.945 -4.283 1.00 50.50 C ATOM 551 NE ARG A 35 8.249 10.606 -4.357 1.00 21.25 N ATOM 552 CZ ARG A 35 9.538 10.343 -4.177 1.00 34.45 C ATOM 553 NH1 ARG A 35 10.383 11.321 -3.867 1.00 45.14 N ATOM 554 NH2 ARG A 35 9.979 9.100 -4.296 1.00 73.14 N ATOM 0 H ARG A 35 3.621 9.716 -3.013 1.00 61.15 H new ATOM 0 HA ARG A 35 3.525 11.507 -5.162 1.00 4.33 H new ATOM 0 HB2 ARG A 35 4.997 11.677 -3.171 1.00 10.32 H new ATOM 0 HB3 ARG A 35 5.869 10.245 -3.680 1.00 10.32 H new ATOM 0 HG2 ARG A 35 6.290 11.631 -5.892 1.00 22.21 H new ATOM 0 HG3 ARG A 35 5.905 13.007 -4.878 1.00 22.21 H new ATOM 0 HD2 ARG A 35 8.304 12.647 -4.824 1.00 50.50 H new ATOM 0 HD3 ARG A 35 7.643 12.274 -3.244 1.00 50.50 H new ATOM 0 HE ARG A 35 7.625 9.825 -4.559 1.00 21.25 H new ATOM 0 HH11 ARG A 35 10.042 12.277 -3.767 1.00 45.14 H new ATOM 0 HH12 ARG A 35 11.373 11.115 -3.729 1.00 45.14 H new ATOM 0 HH21 ARG A 35 9.329 8.348 -4.525 1.00 73.14 H new ATOM 0 HH22 ARG A 35 10.969 8.895 -4.158 1.00 73.14 H new ATOM 568 N ASP A 36 5.005 8.628 -5.813 1.00 23.15 N ATOM 569 CA ASP A 36 5.491 7.775 -6.889 1.00 31.13 C ATOM 570 C ASP A 36 4.357 7.354 -7.813 1.00 21.14 C ATOM 571 O ASP A 36 4.533 7.298 -9.032 1.00 11.00 O ATOM 572 CB ASP A 36 6.206 6.541 -6.333 1.00 34.30 C ATOM 573 CG ASP A 36 7.696 6.768 -6.147 1.00 52.21 C ATOM 574 OD1 ASP A 36 8.105 7.310 -5.097 1.00 74.23 O ATOM 575 OD2 ASP A 36 8.474 6.404 -7.056 1.00 30.12 O ATOM 0 H ASP A 36 5.047 8.204 -4.886 1.00 23.15 H new ATOM 0 HA ASP A 36 6.207 8.357 -7.469 1.00 31.13 H new ATOM 0 HB2 ASP A 36 5.761 6.267 -5.376 1.00 34.30 H new ATOM 0 HB3 ASP A 36 6.051 5.700 -7.009 1.00 34.30 H new ATOM 580 N ASP A 37 3.190 7.070 -7.241 1.00 23.42 N ATOM 581 CA ASP A 37 2.030 6.702 -8.051 1.00 22.10 C ATOM 582 C ASP A 37 1.546 7.891 -8.866 1.00 55.14 C ATOM 583 O ASP A 37 1.051 7.726 -9.964 1.00 41.24 O ATOM 584 CB ASP A 37 0.878 6.145 -7.210 1.00 5.11 C ATOM 585 CG ASP A 37 -0.297 5.714 -8.079 1.00 30.03 C ATOM 586 OD1 ASP A 37 -0.231 4.618 -8.685 1.00 11.01 O ATOM 587 OD2 ASP A 37 -1.277 6.480 -8.185 1.00 3.05 O ATOM 0 H ASP A 37 3.022 7.087 -6.235 1.00 23.42 H new ATOM 0 HA ASP A 37 2.358 5.909 -8.723 1.00 22.10 H new ATOM 0 HB2 ASP A 37 1.231 5.294 -6.627 1.00 5.11 H new ATOM 0 HB3 ASP A 37 0.547 6.902 -6.500 1.00 5.11 H new ATOM 592 N LYS A 38 1.715 9.099 -8.345 1.00 54.14 N ATOM 593 CA LYS A 38 1.317 10.302 -9.080 1.00 65.34 C ATOM 594 C LYS A 38 2.001 10.371 -10.446 1.00 73.11 C ATOM 595 O LYS A 38 1.495 11.006 -11.369 1.00 52.21 O ATOM 596 CB LYS A 38 1.653 11.561 -8.281 1.00 63.11 C ATOM 597 CG LYS A 38 0.687 11.853 -7.145 1.00 25.32 C ATOM 598 CD LYS A 38 -0.682 12.275 -7.662 1.00 21.34 C ATOM 599 CE LYS A 38 -0.592 13.538 -8.505 1.00 52.43 C ATOM 600 NZ LYS A 38 -1.933 14.082 -8.841 1.00 43.12 N ATOM 0 H LYS A 38 2.120 9.276 -7.426 1.00 54.14 H new ATOM 0 HA LYS A 38 0.239 10.247 -9.231 1.00 65.34 H new ATOM 0 HB2 LYS A 38 2.658 11.461 -7.872 1.00 63.11 H new ATOM 0 HB3 LYS A 38 1.668 12.415 -8.959 1.00 63.11 H new ATOM 0 HG2 LYS A 38 0.582 10.966 -6.520 1.00 25.32 H new ATOM 0 HG3 LYS A 38 1.096 12.642 -6.513 1.00 25.32 H new ATOM 0 HD2 LYS A 38 -1.112 11.469 -8.256 1.00 21.34 H new ATOM 0 HD3 LYS A 38 -1.354 12.444 -6.821 1.00 21.34 H new ATOM 0 HE2 LYS A 38 -0.020 14.293 -7.966 1.00 52.43 H new ATOM 0 HE3 LYS A 38 -0.048 13.322 -9.425 1.00 52.43 H new ATOM 0 HZ1 LYS A 38 -1.825 14.942 -9.416 1.00 43.12 H new ATOM 0 HZ2 LYS A 38 -2.471 13.372 -9.378 1.00 43.12 H new ATOM 0 HZ3 LYS A 38 -2.443 14.313 -7.965 1.00 43.12 H new ATOM 614 N SER A 39 3.147 9.714 -10.564 1.00 10.34 N ATOM 615 CA SER A 39 3.909 9.725 -11.803 1.00 2.22 C ATOM 616 C SER A 39 3.482 8.601 -12.758 1.00 31.21 C ATOM 617 O SER A 39 3.694 8.697 -13.967 1.00 33.01 O ATOM 618 CB SER A 39 5.396 9.608 -11.479 1.00 13.14 C ATOM 619 OG SER A 39 5.766 10.571 -10.506 1.00 42.55 O ATOM 0 H SER A 39 3.569 9.166 -9.814 1.00 10.34 H new ATOM 0 HA SER A 39 3.710 10.667 -12.313 1.00 2.22 H new ATOM 0 HB2 SER A 39 5.617 8.606 -11.111 1.00 13.14 H new ATOM 0 HB3 SER A 39 5.985 9.752 -12.385 1.00 13.14 H new ATOM 0 HG SER A 39 6.721 10.484 -10.306 1.00 42.55 H new ATOM 625 N ALA A 40 2.883 7.539 -12.225 1.00 55.03 N ATOM 626 CA ALA A 40 2.559 6.370 -13.042 1.00 74.23 C ATOM 627 C ALA A 40 1.067 6.058 -13.056 1.00 34.22 C ATOM 628 O ALA A 40 0.528 5.624 -14.076 1.00 73.15 O ATOM 629 CB ALA A 40 3.323 5.156 -12.533 1.00 61.03 C ATOM 0 H ALA A 40 2.615 7.462 -11.244 1.00 55.03 H new ATOM 0 HA ALA A 40 2.854 6.605 -14.065 1.00 74.23 H new ATOM 0 HB1 ALA A 40 3.077 4.288 -13.146 1.00 61.03 H new ATOM 0 HB2 ALA A 40 4.394 5.350 -12.591 1.00 61.03 H new ATOM 0 HB3 ALA A 40 3.045 4.959 -11.497 1.00 61.03 H new ATOM 635 N ASN A 41 0.416 6.307 -11.929 1.00 4.43 N ATOM 636 CA ASN A 41 -0.956 5.878 -11.686 1.00 50.55 C ATOM 637 C ASN A 41 -1.129 4.418 -12.054 1.00 51.25 C ATOM 638 O ASN A 41 -1.754 4.075 -13.062 1.00 24.33 O ATOM 639 CB ASN A 41 -1.980 6.757 -12.409 1.00 74.52 C ATOM 640 CG ASN A 41 -2.283 8.043 -11.653 1.00 20.01 C ATOM 641 OD1 ASN A 41 -2.160 8.016 -10.331 1.00 3.54 O flip ATOM 642 ND2 ASN A 41 -2.630 9.063 -12.252 1.00 23.55 N flip ATOM 0 H ASN A 41 0.829 6.818 -11.149 1.00 4.43 H new ATOM 0 HA ASN A 41 -1.147 5.993 -10.619 1.00 50.55 H new ATOM 0 HB2 ASN A 41 -1.605 7.003 -13.402 1.00 74.52 H new ATOM 0 HB3 ASN A 41 -2.903 6.195 -12.547 1.00 74.52 H new ATOM 0 HD21 ASN A 41 -2.716 9.053 -13.268 1.00 23.55 H new ATOM 0 HD22 ASN A 41 -2.831 9.917 -11.731 1.00 23.55 H new ATOM 649 N LEU A 42 -0.529 3.562 -11.247 1.00 74.03 N ATOM 650 CA LEU A 42 -0.639 2.129 -11.433 1.00 32.42 C ATOM 651 C LEU A 42 -1.957 1.658 -10.848 1.00 55.35 C ATOM 652 O LEU A 42 -2.553 0.684 -11.304 1.00 32.22 O ATOM 653 CB LEU A 42 0.533 1.411 -10.764 1.00 11.43 C ATOM 654 CG LEU A 42 1.915 1.747 -11.331 1.00 5.23 C ATOM 655 CD1 LEU A 42 2.999 0.987 -10.581 1.00 3.31 C ATOM 656 CD2 LEU A 42 1.973 1.431 -12.821 1.00 24.35 C ATOM 0 H LEU A 42 0.044 3.839 -10.450 1.00 74.03 H new ATOM 0 HA LEU A 42 -0.610 1.896 -12.497 1.00 32.42 H new ATOM 0 HB2 LEU A 42 0.526 1.652 -9.701 1.00 11.43 H new ATOM 0 HB3 LEU A 42 0.375 0.336 -10.849 1.00 11.43 H new ATOM 0 HG LEU A 42 2.090 2.815 -11.199 1.00 5.23 H new ATOM 0 HD11 LEU A 42 3.974 1.238 -10.998 1.00 3.31 H new ATOM 0 HD12 LEU A 42 2.973 1.262 -9.527 1.00 3.31 H new ATOM 0 HD13 LEU A 42 2.827 -0.085 -10.681 1.00 3.31 H new ATOM 0 HD21 LEU A 42 2.963 1.676 -13.207 1.00 24.35 H new ATOM 0 HD22 LEU A 42 1.776 0.370 -12.976 1.00 24.35 H new ATOM 0 HD23 LEU A 42 1.222 2.020 -13.347 1.00 24.35 H new ATOM 668 N PHE A 43 -2.396 2.378 -9.831 1.00 45.51 N ATOM 669 CA PHE A 43 -3.667 2.114 -9.193 1.00 24.23 C ATOM 670 C PHE A 43 -4.649 3.213 -9.562 1.00 52.01 C ATOM 671 O PHE A 43 -4.356 4.395 -9.381 1.00 20.41 O ATOM 672 CB PHE A 43 -3.487 2.061 -7.676 1.00 75.41 C ATOM 673 CG PHE A 43 -2.294 1.258 -7.242 1.00 4.21 C ATOM 674 CD1 PHE A 43 -2.336 -0.124 -7.229 1.00 42.52 C ATOM 675 CD2 PHE A 43 -1.127 1.892 -6.848 1.00 53.51 C ATOM 676 CE1 PHE A 43 -1.237 -0.860 -6.831 1.00 12.41 C ATOM 677 CE2 PHE A 43 -0.025 1.163 -6.451 1.00 31.31 C ATOM 678 CZ PHE A 43 -0.081 -0.215 -6.443 1.00 43.51 C ATOM 0 H PHE A 43 -1.880 3.160 -9.427 1.00 45.51 H new ATOM 0 HA PHE A 43 -4.053 1.153 -9.533 1.00 24.23 H new ATOM 0 HB2 PHE A 43 -3.390 3.077 -7.294 1.00 75.41 H new ATOM 0 HB3 PHE A 43 -4.384 1.636 -7.226 1.00 75.41 H new ATOM 0 HD1 PHE A 43 -3.238 -0.634 -7.533 1.00 42.52 H new ATOM 0 HD2 PHE A 43 -1.079 2.971 -6.852 1.00 53.51 H new ATOM 0 HE1 PHE A 43 -1.283 -1.939 -6.824 1.00 12.41 H new ATOM 0 HE2 PHE A 43 0.879 1.670 -6.147 1.00 31.31 H new ATOM 0 HZ PHE A 43 0.780 -0.789 -6.133 1.00 43.51 H new ATOM 688 N GLU A 44 -5.796 2.841 -10.109 1.00 65.02 N ATOM 689 CA GLU A 44 -6.804 3.831 -10.462 1.00 14.03 C ATOM 690 C GLU A 44 -7.416 4.411 -9.193 1.00 65.42 C ATOM 691 O GLU A 44 -7.700 5.605 -9.110 1.00 24.14 O ATOM 692 CB GLU A 44 -7.889 3.222 -11.351 1.00 44.33 C ATOM 693 CG GLU A 44 -8.824 4.263 -11.950 1.00 11.32 C ATOM 694 CD GLU A 44 -9.918 3.656 -12.798 1.00 72.24 C ATOM 695 OE1 GLU A 44 -9.705 3.468 -14.017 1.00 24.43 O ATOM 696 OE2 GLU A 44 -11.001 3.374 -12.258 1.00 31.34 O ATOM 0 H GLU A 44 -6.051 1.875 -10.316 1.00 65.02 H new ATOM 0 HA GLU A 44 -6.324 4.630 -11.028 1.00 14.03 H new ATOM 0 HB2 GLU A 44 -7.417 2.660 -12.157 1.00 44.33 H new ATOM 0 HB3 GLU A 44 -8.473 2.511 -10.766 1.00 44.33 H new ATOM 0 HG2 GLU A 44 -9.275 4.844 -11.146 1.00 11.32 H new ATOM 0 HG3 GLU A 44 -8.244 4.958 -12.558 1.00 11.32 H new ATOM 703 N ALA A 45 -7.601 3.552 -8.203 1.00 73.14 N ATOM 704 CA ALA A 45 -8.072 3.974 -6.899 1.00 62.55 C ATOM 705 C ALA A 45 -7.142 3.434 -5.822 1.00 10.25 C ATOM 706 O ALA A 45 -7.366 2.352 -5.281 1.00 45.20 O ATOM 707 CB ALA A 45 -9.504 3.512 -6.663 1.00 45.52 C ATOM 0 H ALA A 45 -7.429 2.550 -8.282 1.00 73.14 H new ATOM 0 HA ALA A 45 -8.067 5.063 -6.856 1.00 62.55 H new ATOM 0 HB1 ALA A 45 -9.835 3.841 -5.678 1.00 45.52 H new ATOM 0 HB2 ALA A 45 -10.155 3.940 -7.426 1.00 45.52 H new ATOM 0 HB3 ALA A 45 -9.549 2.424 -6.716 1.00 45.52 H new ATOM 713 N LEU A 46 -6.083 4.185 -5.541 1.00 54.25 N ATOM 714 CA LEU A 46 -5.053 3.762 -4.596 1.00 21.02 C ATOM 715 C LEU A 46 -5.638 3.500 -3.210 1.00 54.42 C ATOM 716 O LEU A 46 -5.278 2.526 -2.546 1.00 1.11 O ATOM 717 CB LEU A 46 -3.949 4.822 -4.523 1.00 3.00 C ATOM 718 CG LEU A 46 -2.817 4.539 -3.532 1.00 40.03 C ATOM 719 CD1 LEU A 46 -2.179 3.186 -3.807 1.00 42.13 C ATOM 720 CD2 LEU A 46 -1.772 5.640 -3.599 1.00 53.33 C ATOM 0 H LEU A 46 -5.914 5.100 -5.959 1.00 54.25 H new ATOM 0 HA LEU A 46 -4.627 2.824 -4.953 1.00 21.02 H new ATOM 0 HB2 LEU A 46 -3.516 4.937 -5.517 1.00 3.00 H new ATOM 0 HB3 LEU A 46 -4.405 5.777 -4.261 1.00 3.00 H new ATOM 0 HG LEU A 46 -3.240 4.516 -2.528 1.00 40.03 H new ATOM 0 HD11 LEU A 46 -1.378 3.009 -3.089 1.00 42.13 H new ATOM 0 HD12 LEU A 46 -2.931 2.403 -3.712 1.00 42.13 H new ATOM 0 HD13 LEU A 46 -1.770 3.175 -4.817 1.00 42.13 H new ATOM 0 HD21 LEU A 46 -0.973 5.427 -2.889 1.00 53.33 H new ATOM 0 HD22 LEU A 46 -1.359 5.689 -4.607 1.00 53.33 H new ATOM 0 HD23 LEU A 46 -2.233 6.595 -3.349 1.00 53.33 H new ATOM 732 N VAL A 47 -6.560 4.356 -2.790 1.00 55.21 N ATOM 733 CA VAL A 47 -7.210 4.196 -1.497 1.00 43.13 C ATOM 734 C VAL A 47 -8.059 2.926 -1.494 1.00 52.44 C ATOM 735 O VAL A 47 -8.205 2.261 -0.466 1.00 54.22 O ATOM 736 CB VAL A 47 -8.083 5.425 -1.145 1.00 35.43 C ATOM 737 CG1 VAL A 47 -8.757 5.248 0.207 1.00 12.10 C ATOM 738 CG2 VAL A 47 -7.245 6.693 -1.161 1.00 14.33 C ATOM 0 H VAL A 47 -6.874 5.166 -3.325 1.00 55.21 H new ATOM 0 HA VAL A 47 -6.433 4.112 -0.737 1.00 43.13 H new ATOM 0 HB VAL A 47 -8.863 5.513 -1.901 1.00 35.43 H new ATOM 0 HG11 VAL A 47 -9.364 6.126 0.429 1.00 12.10 H new ATOM 0 HG12 VAL A 47 -9.394 4.364 0.183 1.00 12.10 H new ATOM 0 HG13 VAL A 47 -7.997 5.127 0.979 1.00 12.10 H new ATOM 0 HG21 VAL A 47 -7.874 7.548 -0.912 1.00 14.33 H new ATOM 0 HG22 VAL A 47 -6.442 6.607 -0.429 1.00 14.33 H new ATOM 0 HG23 VAL A 47 -6.818 6.834 -2.154 1.00 14.33 H new ATOM 748 N GLY A 48 -8.592 2.584 -2.662 1.00 43.24 N ATOM 749 CA GLY A 48 -9.386 1.380 -2.803 1.00 54.24 C ATOM 750 C GLY A 48 -8.533 0.129 -2.740 1.00 73.33 C ATOM 751 O GLY A 48 -8.911 -0.856 -2.104 1.00 51.53 O ATOM 0 H GLY A 48 -8.486 3.125 -3.520 1.00 43.24 H new ATOM 0 HA2 GLY A 48 -10.138 1.347 -2.014 1.00 54.24 H new ATOM 0 HA3 GLY A 48 -9.921 1.407 -3.752 1.00 54.24 H new ATOM 755 N THR A 49 -7.380 0.170 -3.395 1.00 4.31 N ATOM 756 CA THR A 49 -6.429 -0.932 -3.348 1.00 44.04 C ATOM 757 C THR A 49 -5.990 -1.199 -1.906 1.00 2.33 C ATOM 758 O THR A 49 -5.836 -2.351 -1.493 1.00 53.15 O ATOM 759 CB THR A 49 -5.193 -0.624 -4.214 1.00 62.20 C ATOM 760 OG1 THR A 49 -5.610 -0.084 -5.475 1.00 14.32 O ATOM 761 CG2 THR A 49 -4.365 -1.878 -4.454 1.00 5.14 C ATOM 0 H THR A 49 -7.080 0.959 -3.968 1.00 4.31 H new ATOM 0 HA THR A 49 -6.924 -1.820 -3.742 1.00 44.04 H new ATOM 0 HB THR A 49 -4.578 0.101 -3.682 1.00 62.20 H new ATOM 0 HG1 THR A 49 -4.887 -0.183 -6.129 1.00 14.32 H new ATOM 0 HG21 THR A 49 -3.499 -1.630 -5.068 1.00 5.14 H new ATOM 0 HG22 THR A 49 -4.029 -2.281 -3.498 1.00 5.14 H new ATOM 0 HG23 THR A 49 -4.973 -2.623 -4.968 1.00 5.14 H new ATOM 769 N LEU A 50 -5.810 -0.122 -1.143 1.00 14.13 N ATOM 770 CA LEU A 50 -5.454 -0.228 0.269 1.00 32.24 C ATOM 771 C LEU A 50 -6.540 -0.958 1.048 1.00 40.54 C ATOM 772 O LEU A 50 -6.246 -1.795 1.897 1.00 50.13 O ATOM 773 CB LEU A 50 -5.240 1.158 0.881 1.00 51.11 C ATOM 774 CG LEU A 50 -4.038 1.939 0.346 1.00 42.54 C ATOM 775 CD1 LEU A 50 -3.969 3.310 0.998 1.00 34.22 C ATOM 776 CD2 LEU A 50 -2.747 1.168 0.593 1.00 21.15 C ATOM 0 H LEU A 50 -5.905 0.836 -1.481 1.00 14.13 H new ATOM 0 HA LEU A 50 -4.525 -0.795 0.332 1.00 32.24 H new ATOM 0 HB2 LEU A 50 -6.139 1.751 0.715 1.00 51.11 H new ATOM 0 HB3 LEU A 50 -5.127 1.046 1.959 1.00 51.11 H new ATOM 0 HG LEU A 50 -4.160 2.070 -0.729 1.00 42.54 H new ATOM 0 HD11 LEU A 50 -3.109 3.855 0.609 1.00 34.22 H new ATOM 0 HD12 LEU A 50 -4.881 3.864 0.777 1.00 34.22 H new ATOM 0 HD13 LEU A 50 -3.867 3.195 2.077 1.00 34.22 H new ATOM 0 HD21 LEU A 50 -1.903 1.739 0.206 1.00 21.15 H new ATOM 0 HD22 LEU A 50 -2.617 1.009 1.664 1.00 21.15 H new ATOM 0 HD23 LEU A 50 -2.796 0.204 0.086 1.00 21.15 H new ATOM 788 N LYS A 51 -7.795 -0.636 0.744 1.00 53.21 N ATOM 789 CA LYS A 51 -8.939 -1.255 1.410 1.00 72.33 C ATOM 790 C LYS A 51 -8.885 -2.768 1.272 1.00 22.41 C ATOM 791 O LYS A 51 -9.015 -3.493 2.256 1.00 74.22 O ATOM 792 CB LYS A 51 -10.245 -0.734 0.806 1.00 33.22 C ATOM 793 CG LYS A 51 -10.460 0.751 1.015 1.00 23.35 C ATOM 794 CD LYS A 51 -10.978 1.054 2.407 1.00 74.03 C ATOM 795 CE LYS A 51 -10.884 2.537 2.717 1.00 12.43 C ATOM 796 NZ LYS A 51 -9.468 2.970 2.854 1.00 33.13 N ATOM 0 H LYS A 51 -8.047 0.054 0.036 1.00 53.21 H new ATOM 0 HA LYS A 51 -8.900 -0.995 2.468 1.00 72.33 H new ATOM 0 HB2 LYS A 51 -10.251 -0.947 -0.263 1.00 33.22 H new ATOM 0 HB3 LYS A 51 -11.081 -1.279 1.244 1.00 33.22 H new ATOM 0 HG2 LYS A 51 -9.521 1.281 0.853 1.00 23.35 H new ATOM 0 HG3 LYS A 51 -11.168 1.124 0.275 1.00 23.35 H new ATOM 0 HD2 LYS A 51 -12.014 0.727 2.491 1.00 74.03 H new ATOM 0 HD3 LYS A 51 -10.405 0.489 3.142 1.00 74.03 H new ATOM 0 HE2 LYS A 51 -11.366 3.108 1.924 1.00 12.43 H new ATOM 0 HE3 LYS A 51 -11.424 2.753 3.639 1.00 12.43 H new ATOM 0 HZ1 LYS A 51 -9.428 3.864 3.383 1.00 33.13 H new ATOM 0 HZ2 LYS A 51 -8.930 2.241 3.365 1.00 33.13 H new ATOM 0 HZ3 LYS A 51 -9.054 3.108 1.910 1.00 33.13 H new ATOM 810 N ALA A 52 -8.670 -3.229 0.048 1.00 4.13 N ATOM 811 CA ALA A 52 -8.625 -4.655 -0.244 1.00 11.42 C ATOM 812 C ALA A 52 -7.537 -5.353 0.560 1.00 74.43 C ATOM 813 O ALA A 52 -7.787 -6.352 1.233 1.00 43.34 O ATOM 814 CB ALA A 52 -8.394 -4.878 -1.729 1.00 30.11 C ATOM 0 H ALA A 52 -8.523 -2.631 -0.765 1.00 4.13 H new ATOM 0 HA ALA A 52 -9.585 -5.085 0.042 1.00 11.42 H new ATOM 0 HB1 ALA A 52 -8.362 -5.948 -1.936 1.00 30.11 H new ATOM 0 HB2 ALA A 52 -9.206 -4.423 -2.296 1.00 30.11 H new ATOM 0 HB3 ALA A 52 -7.448 -4.424 -2.022 1.00 30.11 H new ATOM 820 N ALA A 53 -6.335 -4.805 0.500 1.00 54.44 N ATOM 821 CA ALA A 53 -5.188 -5.422 1.147 1.00 54.15 C ATOM 822 C ALA A 53 -5.267 -5.303 2.664 1.00 32.23 C ATOM 823 O ALA A 53 -4.903 -6.233 3.376 1.00 72.01 O ATOM 824 CB ALA A 53 -3.899 -4.806 0.628 1.00 3.50 C ATOM 0 H ALA A 53 -6.127 -3.935 0.010 1.00 54.44 H new ATOM 0 HA ALA A 53 -5.197 -6.484 0.902 1.00 54.15 H new ATOM 0 HB1 ALA A 53 -3.047 -5.276 1.120 1.00 3.50 H new ATOM 0 HB2 ALA A 53 -3.828 -4.963 -0.448 1.00 3.50 H new ATOM 0 HB3 ALA A 53 -3.896 -3.737 0.840 1.00 3.50 H new ATOM 830 N LYS A 54 -5.743 -4.170 3.160 1.00 41.42 N ATOM 831 CA LYS A 54 -5.869 -3.972 4.599 1.00 20.20 C ATOM 832 C LYS A 54 -6.858 -4.972 5.184 1.00 61.33 C ATOM 833 O LYS A 54 -6.611 -5.577 6.226 1.00 71.44 O ATOM 834 CB LYS A 54 -6.318 -2.544 4.920 1.00 14.34 C ATOM 835 CG LYS A 54 -6.380 -2.258 6.407 1.00 10.42 C ATOM 836 CD LYS A 54 -6.948 -0.881 6.691 1.00 3.23 C ATOM 837 CE LYS A 54 -7.043 -0.624 8.184 1.00 31.50 C ATOM 838 NZ LYS A 54 -7.767 0.638 8.493 1.00 73.40 N ATOM 0 H LYS A 54 -6.047 -3.378 2.593 1.00 41.42 H new ATOM 0 HA LYS A 54 -4.889 -4.133 5.049 1.00 20.20 H new ATOM 0 HB2 LYS A 54 -5.632 -1.840 4.449 1.00 14.34 H new ATOM 0 HB3 LYS A 54 -7.301 -2.372 4.482 1.00 14.34 H new ATOM 0 HG2 LYS A 54 -6.994 -3.013 6.897 1.00 10.42 H new ATOM 0 HG3 LYS A 54 -5.380 -2.334 6.834 1.00 10.42 H new ATOM 0 HD2 LYS A 54 -6.317 -0.122 6.228 1.00 3.23 H new ATOM 0 HD3 LYS A 54 -7.937 -0.792 6.240 1.00 3.23 H new ATOM 0 HE2 LYS A 54 -7.553 -1.460 8.663 1.00 31.50 H new ATOM 0 HE3 LYS A 54 -6.040 -0.578 8.607 1.00 31.50 H new ATOM 0 HZ1 LYS A 54 -7.807 0.772 9.524 1.00 73.40 H new ATOM 0 HZ2 LYS A 54 -7.267 1.440 8.059 1.00 73.40 H new ATOM 0 HZ3 LYS A 54 -8.734 0.586 8.113 1.00 73.40 H new ATOM 852 N ARG A 55 -7.968 -5.167 4.486 1.00 45.33 N ATOM 853 CA ARG A 55 -9.017 -6.057 4.964 1.00 35.22 C ATOM 854 C ARG A 55 -8.650 -7.520 4.731 1.00 22.21 C ATOM 855 O ARG A 55 -9.263 -8.421 5.304 1.00 12.33 O ATOM 856 CB ARG A 55 -10.353 -5.709 4.304 1.00 22.43 C ATOM 857 CG ARG A 55 -10.799 -4.283 4.593 1.00 71.32 C ATOM 858 CD ARG A 55 -10.847 -4.008 6.090 1.00 24.11 C ATOM 859 NE ARG A 55 -11.034 -2.590 6.394 1.00 65.33 N ATOM 860 CZ ARG A 55 -12.078 -2.106 7.066 1.00 12.13 C ATOM 861 NH1 ARG A 55 -13.076 -2.905 7.422 1.00 30.32 N ATOM 862 NH2 ARG A 55 -12.128 -0.818 7.372 1.00 21.11 N ATOM 0 H ARG A 55 -8.165 -4.722 3.589 1.00 45.33 H new ATOM 0 HA ARG A 55 -9.120 -5.915 6.040 1.00 35.22 H new ATOM 0 HB2 ARG A 55 -10.267 -5.847 3.226 1.00 22.43 H new ATOM 0 HB3 ARG A 55 -11.118 -6.402 4.654 1.00 22.43 H new ATOM 0 HG2 ARG A 55 -10.115 -3.582 4.115 1.00 71.32 H new ATOM 0 HG3 ARG A 55 -11.784 -4.113 4.159 1.00 71.32 H new ATOM 0 HD2 ARG A 55 -11.660 -4.582 6.535 1.00 24.11 H new ATOM 0 HD3 ARG A 55 -9.922 -4.356 6.550 1.00 24.11 H new ATOM 0 HE ARG A 55 -10.323 -1.933 6.073 1.00 65.33 H new ATOM 0 HH11 ARG A 55 -13.047 -3.896 7.181 1.00 30.32 H new ATOM 0 HH12 ARG A 55 -13.872 -2.528 7.936 1.00 30.32 H new ATOM 0 HH21 ARG A 55 -11.368 -0.198 7.093 1.00 21.11 H new ATOM 0 HH22 ARG A 55 -12.927 -0.447 7.886 1.00 21.11 H new ATOM 876 N ARG A 56 -7.644 -7.751 3.893 1.00 43.32 N ATOM 877 CA ARG A 56 -7.108 -9.094 3.693 1.00 4.43 C ATOM 878 C ARG A 56 -5.948 -9.364 4.642 1.00 25.23 C ATOM 879 O ARG A 56 -5.322 -10.421 4.574 1.00 22.33 O ATOM 880 CB ARG A 56 -6.621 -9.300 2.260 1.00 35.53 C ATOM 881 CG ARG A 56 -7.713 -9.558 1.245 1.00 32.43 C ATOM 882 CD ARG A 56 -7.111 -10.018 -0.073 1.00 5.32 C ATOM 883 NE ARG A 56 -8.126 -10.205 -1.108 1.00 42.02 N ATOM 884 CZ ARG A 56 -7.863 -10.602 -2.351 1.00 42.33 C ATOM 885 NH1 ARG A 56 -6.620 -10.888 -2.718 1.00 22.42 N ATOM 886 NH2 ARG A 56 -8.842 -10.718 -3.237 1.00 3.03 N ATOM 0 H ARG A 56 -7.184 -7.027 3.342 1.00 43.32 H new ATOM 0 HA ARG A 56 -7.923 -9.789 3.896 1.00 4.43 H new ATOM 0 HB2 ARG A 56 -6.061 -8.417 1.952 1.00 35.53 H new ATOM 0 HB3 ARG A 56 -5.926 -10.140 2.245 1.00 35.53 H new ATOM 0 HG2 ARG A 56 -8.399 -10.316 1.623 1.00 32.43 H new ATOM 0 HG3 ARG A 56 -8.296 -8.650 1.089 1.00 32.43 H new ATOM 0 HD2 ARG A 56 -6.380 -9.284 -0.412 1.00 5.32 H new ATOM 0 HD3 ARG A 56 -6.575 -10.955 0.081 1.00 5.32 H new ATOM 0 HE ARG A 56 -9.098 -10.019 -0.862 1.00 42.02 H new ATOM 0 HH11 ARG A 56 -5.858 -10.804 -2.046 1.00 22.42 H new ATOM 0 HH12 ARG A 56 -6.427 -11.192 -3.672 1.00 22.42 H new ATOM 0 HH21 ARG A 56 -9.802 -10.503 -2.968 1.00 3.03 H new ATOM 0 HH22 ARG A 56 -8.635 -11.023 -4.188 1.00 3.03 H new ATOM 900 N LYS A 57 -5.673 -8.404 5.527 1.00 13.32 N ATOM 901 CA LYS A 57 -4.536 -8.477 6.442 1.00 33.33 C ATOM 902 C LYS A 57 -3.217 -8.540 5.674 1.00 73.34 C ATOM 903 O LYS A 57 -2.209 -9.034 6.180 1.00 54.32 O ATOM 904 CB LYS A 57 -4.657 -9.679 7.383 1.00 61.32 C ATOM 905 CG LYS A 57 -5.754 -9.550 8.431 1.00 71.30 C ATOM 906 CD LYS A 57 -7.150 -9.616 7.832 1.00 41.43 C ATOM 907 CE LYS A 57 -8.204 -9.826 8.906 1.00 24.51 C ATOM 908 NZ LYS A 57 -8.061 -11.150 9.568 1.00 63.21 N ATOM 0 H LYS A 57 -6.232 -7.557 5.628 1.00 13.32 H new ATOM 0 HA LYS A 57 -4.543 -7.568 7.044 1.00 33.33 H new ATOM 0 HB2 LYS A 57 -4.843 -10.573 6.788 1.00 61.32 H new ATOM 0 HB3 LYS A 57 -3.703 -9.826 7.889 1.00 61.32 H new ATOM 0 HG2 LYS A 57 -5.642 -10.345 9.168 1.00 71.30 H new ATOM 0 HG3 LYS A 57 -5.635 -8.605 8.961 1.00 71.30 H new ATOM 0 HD2 LYS A 57 -7.359 -8.694 7.290 1.00 41.43 H new ATOM 0 HD3 LYS A 57 -7.199 -10.429 7.108 1.00 41.43 H new ATOM 0 HE2 LYS A 57 -8.125 -9.036 9.653 1.00 24.51 H new ATOM 0 HE3 LYS A 57 -9.196 -9.747 8.462 1.00 24.51 H new ATOM 0 HZ1 LYS A 57 -8.966 -11.420 10.003 1.00 63.21 H new ATOM 0 HZ2 LYS A 57 -7.790 -11.864 8.862 1.00 63.21 H new ATOM 0 HZ3 LYS A 57 -7.327 -11.093 10.303 1.00 63.21 H new ATOM 922 N ILE A 58 -3.233 -8.020 4.458 1.00 52.21 N ATOM 923 CA ILE A 58 -2.036 -7.956 3.638 1.00 41.33 C ATOM 924 C ILE A 58 -1.178 -6.795 4.107 1.00 62.03 C ATOM 925 O ILE A 58 0.034 -6.918 4.245 1.00 62.20 O ATOM 926 CB ILE A 58 -2.360 -7.744 2.142 1.00 31.14 C ATOM 927 CG1 ILE A 58 -3.461 -8.694 1.664 1.00 42.44 C ATOM 928 CG2 ILE A 58 -1.106 -7.931 1.301 1.00 61.51 C ATOM 929 CD1 ILE A 58 -3.113 -10.159 1.796 1.00 53.55 C ATOM 0 H ILE A 58 -4.067 -7.634 4.015 1.00 52.21 H new ATOM 0 HA ILE A 58 -1.516 -8.908 3.743 1.00 41.33 H new ATOM 0 HB ILE A 58 -2.724 -6.724 2.023 1.00 31.14 H new ATOM 0 HG12 ILE A 58 -4.370 -8.495 2.232 1.00 42.44 H new ATOM 0 HG13 ILE A 58 -3.684 -8.477 0.619 1.00 42.44 H new ATOM 0 HG21 ILE A 58 -1.347 -7.779 0.249 1.00 61.51 H new ATOM 0 HG22 ILE A 58 -0.351 -7.208 1.608 1.00 61.51 H new ATOM 0 HG23 ILE A 58 -0.720 -8.941 1.443 1.00 61.51 H new ATOM 0 HD11 ILE A 58 -3.945 -10.764 1.436 1.00 53.55 H new ATOM 0 HD12 ILE A 58 -2.223 -10.376 1.205 1.00 53.55 H new ATOM 0 HD13 ILE A 58 -2.919 -10.394 2.843 1.00 53.55 H new ATOM 941 N VAL A 59 -1.834 -5.668 4.352 1.00 5.54 N ATOM 942 CA VAL A 59 -1.164 -4.471 4.840 1.00 14.12 C ATOM 943 C VAL A 59 -1.983 -3.841 5.956 1.00 22.45 C ATOM 944 O VAL A 59 -3.160 -4.155 6.123 1.00 45.41 O ATOM 945 CB VAL A 59 -0.960 -3.415 3.724 1.00 0.02 C ATOM 946 CG1 VAL A 59 -0.108 -3.966 2.593 1.00 73.33 C ATOM 947 CG2 VAL A 59 -2.298 -2.928 3.189 1.00 4.33 C ATOM 0 H VAL A 59 -2.839 -5.559 4.219 1.00 5.54 H new ATOM 0 HA VAL A 59 -0.184 -4.780 5.203 1.00 14.12 H new ATOM 0 HB VAL A 59 -0.433 -2.568 4.164 1.00 0.02 H new ATOM 0 HG11 VAL A 59 0.017 -3.202 1.826 1.00 73.33 H new ATOM 0 HG12 VAL A 59 0.869 -4.254 2.981 1.00 73.33 H new ATOM 0 HG13 VAL A 59 -0.598 -4.838 2.160 1.00 73.33 H new ATOM 0 HG21 VAL A 59 -2.129 -2.188 2.407 1.00 4.33 H new ATOM 0 HG22 VAL A 59 -2.854 -3.771 2.777 1.00 4.33 H new ATOM 0 HG23 VAL A 59 -2.871 -2.476 3.999 1.00 4.33 H new ATOM 957 N THR A 60 -1.363 -2.960 6.715 1.00 12.40 N ATOM 958 CA THR A 60 -2.071 -2.215 7.736 1.00 24.43 C ATOM 959 C THR A 60 -1.541 -0.787 7.804 1.00 52.14 C ATOM 960 O THR A 60 -0.363 -0.535 7.531 1.00 2.05 O ATOM 961 CB THR A 60 -1.957 -2.887 9.126 1.00 0.43 C ATOM 962 OG1 THR A 60 -2.890 -2.288 10.041 1.00 60.13 O ATOM 963 CG2 THR A 60 -0.544 -2.764 9.683 1.00 23.11 C ATOM 0 H THR A 60 -0.369 -2.742 6.644 1.00 12.40 H new ATOM 0 HA THR A 60 -3.126 -2.201 7.461 1.00 24.43 H new ATOM 0 HB THR A 60 -2.189 -3.945 9.008 1.00 0.43 H new ATOM 0 HG1 THR A 60 -2.812 -2.720 10.917 1.00 60.13 H new ATOM 0 HG21 THR A 60 -0.495 -3.245 10.660 1.00 23.11 H new ATOM 0 HG22 THR A 60 0.158 -3.248 9.004 1.00 23.11 H new ATOM 0 HG23 THR A 60 -0.283 -1.711 9.784 1.00 23.11 H new ATOM 971 N TYR A 61 -2.417 0.141 8.142 1.00 73.13 N ATOM 972 CA TYR A 61 -2.048 1.537 8.272 1.00 1.34 C ATOM 973 C TYR A 61 -3.071 2.256 9.143 1.00 30.53 C ATOM 974 O TYR A 61 -4.252 1.897 9.134 1.00 51.04 O ATOM 975 CB TYR A 61 -1.944 2.202 6.891 1.00 42.50 C ATOM 976 CG TYR A 61 -3.246 2.272 6.119 1.00 21.42 C ATOM 977 CD1 TYR A 61 -3.821 1.134 5.564 1.00 32.23 C ATOM 978 CD2 TYR A 61 -3.896 3.483 5.939 1.00 23.14 C ATOM 979 CE1 TYR A 61 -5.006 1.204 4.857 1.00 14.25 C ATOM 980 CE2 TYR A 61 -5.082 3.563 5.235 1.00 14.10 C ATOM 981 CZ TYR A 61 -5.633 2.420 4.697 1.00 12.34 C ATOM 982 OH TYR A 61 -6.815 2.493 3.995 1.00 4.42 O ATOM 0 H TYR A 61 -3.400 -0.051 8.333 1.00 73.13 H new ATOM 0 HA TYR A 61 -1.069 1.603 8.748 1.00 1.34 H new ATOM 0 HB2 TYR A 61 -1.559 3.214 7.019 1.00 42.50 H new ATOM 0 HB3 TYR A 61 -1.213 1.656 6.295 1.00 42.50 H new ATOM 0 HD1 TYR A 61 -3.333 0.179 5.688 1.00 32.23 H new ATOM 0 HD2 TYR A 61 -3.467 4.382 6.357 1.00 23.14 H new ATOM 0 HE1 TYR A 61 -5.438 0.310 4.432 1.00 14.25 H new ATOM 0 HE2 TYR A 61 -5.574 4.516 5.107 1.00 14.10 H new ATOM 0 HH TYR A 61 -7.127 3.422 3.975 1.00 4.42 H new ATOM 992 N PRO A 62 -2.626 3.245 9.933 1.00 73.40 N ATOM 993 CA PRO A 62 -3.509 4.023 10.809 1.00 31.45 C ATOM 994 C PRO A 62 -4.608 4.744 10.036 1.00 41.42 C ATOM 995 O PRO A 62 -4.366 5.300 8.962 1.00 33.32 O ATOM 996 CB PRO A 62 -2.568 5.040 11.465 1.00 42.41 C ATOM 997 CG PRO A 62 -1.207 4.445 11.333 1.00 45.40 C ATOM 998 CD PRO A 62 -1.222 3.670 10.048 1.00 72.42 C ATOM 0 HA PRO A 62 -4.031 3.384 11.522 1.00 31.45 H new ATOM 0 HB2 PRO A 62 -2.625 6.009 10.969 1.00 42.41 H new ATOM 0 HB3 PRO A 62 -2.829 5.202 12.511 1.00 42.41 H new ATOM 0 HG2 PRO A 62 -0.441 5.221 11.313 1.00 45.40 H new ATOM 0 HG3 PRO A 62 -0.981 3.796 12.179 1.00 45.40 H new ATOM 0 HD2 PRO A 62 -0.916 4.286 9.202 1.00 72.42 H new ATOM 0 HD3 PRO A 62 -0.544 2.817 10.083 1.00 72.42 H new ATOM 1125 N HIS A 71 -1.300 12.485 5.418 1.00 50.43 N ATOM 1126 CA HIS A 71 -1.086 11.053 5.235 1.00 21.04 C ATOM 1127 C HIS A 71 0.373 10.737 4.881 1.00 35.12 C ATOM 1128 O HIS A 71 0.724 9.582 4.643 1.00 44.12 O ATOM 1129 CB HIS A 71 -2.022 10.517 4.131 1.00 2.33 C ATOM 1130 CG HIS A 71 -1.734 11.045 2.749 1.00 63.44 C ATOM 1131 ND1 HIS A 71 -0.561 11.234 2.116 1.00 61.13 N flip ATOM 1132 CD2 HIS A 71 -2.711 11.423 1.855 1.00 34.12 C flip ATOM 1133 CE1 HIS A 71 -0.832 11.717 0.860 1.00 54.53 C flip ATOM 1134 NE2 HIS A 71 -2.142 11.819 0.728 1.00 41.43 N flip ATOM 0 HA HIS A 71 -1.314 10.560 6.180 1.00 21.04 H new ATOM 0 HB2 HIS A 71 -1.952 9.429 4.111 1.00 2.33 H new ATOM 0 HB3 HIS A 71 -3.050 10.766 4.393 1.00 2.33 H new ATOM 0 HD2 HIS A 71 -3.774 11.400 2.044 1.00 34.12 H new ATOM 0 HE1 HIS A 71 -0.099 11.970 0.108 1.00 54.53 H new ATOM 0 HE2 HIS A 71 -2.633 12.148 -0.103 1.00 41.43 H new ATOM 1143 N ASP A 72 1.212 11.758 4.841 1.00 24.45 N ATOM 1144 CA ASP A 72 2.561 11.618 4.298 1.00 12.25 C ATOM 1145 C ASP A 72 3.466 10.797 5.208 1.00 30.24 C ATOM 1146 O ASP A 72 4.353 10.092 4.728 1.00 43.43 O ATOM 1147 CB ASP A 72 3.186 12.992 4.051 1.00 42.00 C ATOM 1148 CG ASP A 72 3.448 13.753 5.333 1.00 34.21 C ATOM 1149 OD1 ASP A 72 2.474 14.167 5.989 1.00 23.14 O ATOM 1150 OD2 ASP A 72 4.631 13.933 5.689 1.00 30.52 O ATOM 0 H ASP A 72 0.987 12.694 5.177 1.00 24.45 H new ATOM 0 HA ASP A 72 2.468 11.085 3.352 1.00 12.25 H new ATOM 0 HB2 ASP A 72 4.123 12.868 3.509 1.00 42.00 H new ATOM 0 HB3 ASP A 72 2.524 13.579 3.414 1.00 42.00 H new ATOM 1155 N ASP A 73 3.235 10.869 6.508 1.00 1.41 N ATOM 1156 CA ASP A 73 4.091 10.174 7.465 1.00 64.04 C ATOM 1157 C ASP A 73 3.514 8.807 7.818 1.00 14.45 C ATOM 1158 O ASP A 73 4.081 8.066 8.620 1.00 65.23 O ATOM 1159 CB ASP A 73 4.270 11.017 8.732 1.00 64.23 C ATOM 1160 CG ASP A 73 5.388 10.501 9.621 1.00 62.14 C ATOM 1161 OD1 ASP A 73 6.571 10.715 9.278 1.00 4.54 O ATOM 1162 OD2 ASP A 73 5.090 9.901 10.677 1.00 74.50 O ATOM 0 H ASP A 73 2.469 11.397 6.927 1.00 1.41 H new ATOM 0 HA ASP A 73 5.066 10.025 7.002 1.00 64.04 H new ATOM 0 HB2 ASP A 73 4.481 12.049 8.451 1.00 64.23 H new ATOM 0 HB3 ASP A 73 3.337 11.024 9.295 1.00 64.23 H new ATOM 1167 N VAL A 74 2.396 8.465 7.197 1.00 43.15 N ATOM 1168 CA VAL A 74 1.718 7.212 7.493 1.00 53.14 C ATOM 1169 C VAL A 74 2.464 6.039 6.869 1.00 51.33 C ATOM 1170 O VAL A 74 2.550 5.937 5.649 1.00 5.23 O ATOM 1171 CB VAL A 74 0.273 7.218 6.957 1.00 70.34 C ATOM 1172 CG1 VAL A 74 -0.490 6.001 7.448 1.00 40.12 C ATOM 1173 CG2 VAL A 74 -0.444 8.504 7.344 1.00 25.13 C ATOM 0 H VAL A 74 1.939 9.036 6.486 1.00 43.15 H new ATOM 0 HA VAL A 74 1.698 7.105 8.578 1.00 53.14 H new ATOM 0 HB VAL A 74 0.315 7.172 5.869 1.00 70.34 H new ATOM 0 HG11 VAL A 74 -1.507 6.027 7.057 1.00 40.12 H new ATOM 0 HG12 VAL A 74 0.008 5.095 7.103 1.00 40.12 H new ATOM 0 HG13 VAL A 74 -0.520 6.006 8.538 1.00 40.12 H new ATOM 0 HG21 VAL A 74 -1.462 8.485 6.954 1.00 25.13 H new ATOM 0 HG22 VAL A 74 -0.473 8.592 8.430 1.00 25.13 H new ATOM 0 HG23 VAL A 74 0.089 9.358 6.925 1.00 25.13 H new ATOM 1183 N ASP A 75 3.003 5.163 7.703 1.00 55.31 N ATOM 1184 CA ASP A 75 3.675 3.963 7.214 1.00 42.02 C ATOM 1185 C ASP A 75 2.660 2.892 6.870 1.00 23.44 C ATOM 1186 O ASP A 75 1.913 2.433 7.737 1.00 74.34 O ATOM 1187 CB ASP A 75 4.651 3.392 8.249 1.00 22.11 C ATOM 1188 CG ASP A 75 6.049 3.969 8.155 1.00 33.11 C ATOM 1189 OD1 ASP A 75 6.846 3.477 7.330 1.00 75.41 O ATOM 1190 OD2 ASP A 75 6.369 4.896 8.936 1.00 73.31 O ATOM 0 H ASP A 75 2.990 5.257 8.719 1.00 55.31 H new ATOM 0 HA ASP A 75 4.235 4.255 6.326 1.00 42.02 H new ATOM 0 HB2 ASP A 75 4.257 3.579 9.248 1.00 22.11 H new ATOM 0 HB3 ASP A 75 4.705 2.310 8.125 1.00 22.11 H new ATOM 1195 N ILE A 76 2.619 2.507 5.609 1.00 44.04 N ATOM 1196 CA ILE A 76 1.808 1.379 5.199 1.00 35.02 C ATOM 1197 C ILE A 76 2.632 0.116 5.394 1.00 70.22 C ATOM 1198 O ILE A 76 3.600 -0.121 4.667 1.00 14.54 O ATOM 1199 CB ILE A 76 1.366 1.477 3.720 1.00 62.03 C ATOM 1200 CG1 ILE A 76 0.898 2.901 3.371 1.00 34.41 C ATOM 1201 CG2 ILE A 76 0.263 0.463 3.436 1.00 51.23 C ATOM 1202 CD1 ILE A 76 -0.298 3.382 4.162 1.00 55.11 C ATOM 0 H ILE A 76 3.136 2.957 4.854 1.00 44.04 H new ATOM 0 HA ILE A 76 0.902 1.366 5.804 1.00 35.02 H new ATOM 0 HB ILE A 76 2.226 1.249 3.090 1.00 62.03 H new ATOM 0 HG12 ILE A 76 1.726 3.591 3.533 1.00 34.41 H new ATOM 0 HG13 ILE A 76 0.654 2.939 2.309 1.00 34.41 H new ATOM 0 HG21 ILE A 76 -0.042 0.540 2.392 1.00 51.23 H new ATOM 0 HG22 ILE A 76 0.634 -0.543 3.633 1.00 51.23 H new ATOM 0 HG23 ILE A 76 -0.593 0.667 4.080 1.00 51.23 H new ATOM 0 HD11 ILE A 76 -0.557 4.394 3.850 1.00 55.11 H new ATOM 0 HD12 ILE A 76 -1.144 2.719 3.982 1.00 55.11 H new ATOM 0 HD13 ILE A 76 -0.056 3.381 5.225 1.00 55.11 H new ATOM 1214 N ILE A 77 2.274 -0.671 6.393 1.00 11.52 N ATOM 1215 CA ILE A 77 3.067 -1.831 6.757 1.00 52.31 C ATOM 1216 C ILE A 77 2.526 -3.099 6.113 1.00 34.13 C ATOM 1217 O ILE A 77 1.353 -3.441 6.263 1.00 45.42 O ATOM 1218 CB ILE A 77 3.143 -2.011 8.290 1.00 61.21 C ATOM 1219 CG1 ILE A 77 3.760 -0.762 8.933 1.00 75.43 C ATOM 1220 CG2 ILE A 77 3.952 -3.252 8.644 1.00 0.34 C ATOM 1221 CD1 ILE A 77 3.962 -0.878 10.429 1.00 61.23 C ATOM 0 H ILE A 77 1.442 -0.528 6.965 1.00 11.52 H new ATOM 0 HA ILE A 77 4.075 -1.653 6.381 1.00 52.31 H new ATOM 0 HB ILE A 77 2.133 -2.143 8.679 1.00 61.21 H new ATOM 0 HG12 ILE A 77 4.722 -0.560 8.461 1.00 75.43 H new ATOM 0 HG13 ILE A 77 3.118 0.095 8.728 1.00 75.43 H new ATOM 0 HG21 ILE A 77 3.994 -3.362 9.728 1.00 0.34 H new ATOM 0 HG22 ILE A 77 3.478 -4.132 8.208 1.00 0.34 H new ATOM 0 HG23 ILE A 77 4.963 -3.152 8.250 1.00 0.34 H new ATOM 0 HD11 ILE A 77 4.402 0.044 10.809 1.00 61.23 H new ATOM 0 HD12 ILE A 77 3.001 -1.049 10.914 1.00 61.23 H new ATOM 0 HD13 ILE A 77 4.629 -1.713 10.642 1.00 61.23 H new ATOM 1233 N LEU A 78 3.398 -3.780 5.392 1.00 43.21 N ATOM 1234 CA LEU A 78 3.070 -5.033 4.746 1.00 22.01 C ATOM 1235 C LEU A 78 3.129 -6.164 5.765 1.00 44.00 C ATOM 1236 O LEU A 78 4.201 -6.510 6.266 1.00 34.14 O ATOM 1237 CB LEU A 78 4.054 -5.292 3.601 1.00 12.40 C ATOM 1238 CG LEU A 78 3.763 -6.517 2.736 1.00 75.20 C ATOM 1239 CD1 LEU A 78 2.459 -6.336 1.977 1.00 74.30 C ATOM 1240 CD2 LEU A 78 4.911 -6.772 1.772 1.00 3.01 C ATOM 0 H LEU A 78 4.359 -3.475 5.239 1.00 43.21 H new ATOM 0 HA LEU A 78 2.061 -4.982 4.337 1.00 22.01 H new ATOM 0 HB2 LEU A 78 4.072 -4.413 2.957 1.00 12.40 H new ATOM 0 HB3 LEU A 78 5.053 -5.398 4.023 1.00 12.40 H new ATOM 0 HG LEU A 78 3.662 -7.384 3.389 1.00 75.20 H new ATOM 0 HD11 LEU A 78 2.268 -7.218 1.366 1.00 74.30 H new ATOM 0 HD12 LEU A 78 1.641 -6.201 2.685 1.00 74.30 H new ATOM 0 HD13 LEU A 78 2.531 -5.459 1.334 1.00 74.30 H new ATOM 0 HD21 LEU A 78 4.687 -7.648 1.163 1.00 3.01 H new ATOM 0 HD22 LEU A 78 5.042 -5.905 1.125 1.00 3.01 H new ATOM 0 HD23 LEU A 78 5.828 -6.946 2.336 1.00 3.01 H new ATOM 1252 N LEU A 79 1.969 -6.717 6.084 1.00 74.32 N ATOM 1253 CA LEU A 79 1.866 -7.773 7.077 1.00 30.24 C ATOM 1254 C LEU A 79 2.100 -9.131 6.436 1.00 70.21 C ATOM 1255 O LEU A 79 2.728 -10.010 7.026 1.00 44.40 O ATOM 1256 CB LEU A 79 0.487 -7.754 7.741 1.00 71.53 C ATOM 1257 CG LEU A 79 0.091 -6.431 8.394 1.00 40.51 C ATOM 1258 CD1 LEU A 79 -1.310 -6.524 8.977 1.00 30.42 C ATOM 1259 CD2 LEU A 79 1.092 -6.042 9.471 1.00 33.51 C ATOM 0 H LEU A 79 1.079 -6.448 5.665 1.00 74.32 H new ATOM 0 HA LEU A 79 2.630 -7.599 7.835 1.00 30.24 H new ATOM 0 HB2 LEU A 79 -0.262 -8.008 6.991 1.00 71.53 H new ATOM 0 HB3 LEU A 79 0.457 -8.537 8.499 1.00 71.53 H new ATOM 0 HG LEU A 79 0.096 -5.656 7.628 1.00 40.51 H new ATOM 0 HD11 LEU A 79 -1.576 -5.573 9.438 1.00 30.42 H new ATOM 0 HD12 LEU A 79 -2.020 -6.753 8.183 1.00 30.42 H new ATOM 0 HD13 LEU A 79 -1.340 -7.313 9.729 1.00 30.42 H new ATOM 0 HD21 LEU A 79 0.791 -5.097 9.923 1.00 33.51 H new ATOM 0 HD22 LEU A 79 1.122 -6.817 10.237 1.00 33.51 H new ATOM 0 HD23 LEU A 79 2.081 -5.933 9.026 1.00 33.51 H new ATOM 1271 N GLN A 80 1.587 -9.302 5.229 1.00 4.20 N ATOM 1272 CA GLN A 80 1.724 -10.560 4.520 1.00 11.53 C ATOM 1273 C GLN A 80 2.804 -10.435 3.456 1.00 21.12 C ATOM 1274 O GLN A 80 2.797 -9.492 2.670 1.00 0.31 O ATOM 1275 CB GLN A 80 0.391 -10.936 3.866 1.00 72.14 C ATOM 1276 CG GLN A 80 0.340 -12.360 3.331 1.00 30.53 C ATOM 1277 CD GLN A 80 -0.848 -12.593 2.415 1.00 44.31 C ATOM 1278 OE1 GLN A 80 -0.744 -12.447 1.197 1.00 65.24 O ATOM 1279 NE2 GLN A 80 -1.992 -12.935 2.989 1.00 41.42 N ATOM 0 H GLN A 80 1.072 -8.584 4.720 1.00 4.20 H new ATOM 0 HA GLN A 80 2.006 -11.340 5.227 1.00 11.53 H new ATOM 0 HB2 GLN A 80 -0.409 -10.805 4.595 1.00 72.14 H new ATOM 0 HB3 GLN A 80 0.193 -10.245 3.047 1.00 72.14 H new ATOM 0 HG2 GLN A 80 1.261 -12.574 2.789 1.00 30.53 H new ATOM 0 HG3 GLN A 80 0.293 -13.058 4.167 1.00 30.53 H new ATOM 0 HE21 GLN A 80 -2.041 -13.047 4.002 1.00 41.42 H new ATOM 0 HE22 GLN A 80 -2.824 -13.086 2.418 1.00 41.42 H new ATOM 1288 N ASP A 81 3.715 -11.390 3.420 1.00 52.20 N ATOM 1289 CA ASP A 81 4.757 -11.403 2.409 1.00 64.32 C ATOM 1290 C ASP A 81 4.572 -12.623 1.527 1.00 73.34 C ATOM 1291 O ASP A 81 4.876 -13.743 1.932 1.00 64.52 O ATOM 1292 CB ASP A 81 6.146 -11.408 3.054 1.00 35.23 C ATOM 1293 CG ASP A 81 7.268 -11.277 2.040 1.00 55.02 C ATOM 1294 OD1 ASP A 81 6.982 -11.082 0.839 1.00 50.11 O ATOM 1295 OD2 ASP A 81 8.451 -11.376 2.439 1.00 23.04 O ATOM 0 H ASP A 81 3.755 -12.167 4.079 1.00 52.20 H new ATOM 0 HA ASP A 81 4.681 -10.500 1.803 1.00 64.32 H new ATOM 0 HB2 ASP A 81 6.212 -10.588 3.769 1.00 35.23 H new ATOM 0 HB3 ASP A 81 6.277 -12.333 3.616 1.00 35.23 H new