USER MOD reduce.3.24.130724 H: found=0, std=0, add=546, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 547 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 18 CYS SG : rot 180:sc= 0.0486 USER MOD Set 1.2: A 65 TYR OH : rot 14:sc= 0.0465 USER MOD Set 2.1: A 33 ASN : amide:sc= 1.93 K(o=3.1,f=-0.98) USER MOD Set 2.2: A 34 GLN : amide:sc= 1.14 K(o=3.1,f=0.91) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.0579 USER MOD Single : A 6 TYR OH : rot -162:sc= 1.23 USER MOD Single : A 7 SER OG : rot 180:sc= -0.237 USER MOD Single : A 9 LYS NZ :NH3+ 159:sc= 0.847 (180deg=-0.38) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl 150:sc= -0.0304 (180deg=-1.18) USER MOD Single : A 15 CYS SG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= 0.741 K(o=0.74,f=-0.039) USER MOD Single : A 28 GLN : amide:sc= -0.15 X(o=-0.15,f=-0.19) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 THR OG1 : rot -160:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.191) USER MOD Single : A 50 ASN :FLIP amide:sc= -0.813 F(o=-2.2,f=-0.81) USER MOD Single : A 55 GLN : amide:sc= -0.0719 K(o=-0.072,f=-2.4!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0.975 K(o=0.97,f=-0.17) USER MOD Single : A 62 LYS NZ :NH3+ 172:sc= 1.24 (180deg=1.13) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN :FLIP amide:sc= -0.294 F(o=-1.1,f=-0.29) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 2 -8.313 7.936 -16.870 1.00 2.51 N ATOM 2 CA SER A 2 -7.183 8.667 -16.312 1.00 2.32 C ATOM 3 C SER A 2 -6.786 8.065 -14.961 1.00 1.85 C ATOM 4 O SER A 2 -7.124 8.623 -13.919 1.00 3.35 O ATOM 5 CB SER A 2 -7.531 10.159 -16.193 1.00 3.89 C ATOM 6 OG SER A 2 -6.372 10.916 -15.905 1.00 4.82 O ATOM 0 HA SER A 2 -6.325 8.579 -16.978 1.00 2.32 H new ATOM 0 HB2 SER A 2 -7.980 10.509 -17.123 1.00 3.89 H new ATOM 0 HB3 SER A 2 -8.272 10.304 -15.407 1.00 3.89 H new ATOM 0 HG SER A 2 -6.610 11.864 -15.834 1.00 4.82 H new ATOM 12 N GLY A 3 -6.094 6.926 -14.995 1.00 1.23 N ATOM 13 CA GLY A 3 -5.436 6.332 -13.841 1.00 0.74 C ATOM 14 C GLY A 3 -5.845 4.886 -13.624 1.00 0.66 C ATOM 15 O GLY A 3 -6.663 4.337 -14.369 1.00 1.01 O ATOM 0 H GLY A 3 -5.975 6.381 -15.849 1.00 1.23 H new ATOM 0 HA2 GLY A 3 -4.356 6.385 -13.975 1.00 0.74 H new ATOM 0 HA3 GLY A 3 -5.676 6.913 -12.950 1.00 0.74 H new ATOM 19 N THR A 4 -5.232 4.231 -12.634 1.00 0.51 N ATOM 20 CA THR A 4 -5.558 2.860 -12.271 1.00 0.42 C ATOM 21 C THR A 4 -5.474 2.662 -10.767 1.00 0.38 C ATOM 22 O THR A 4 -4.522 3.117 -10.128 1.00 0.46 O ATOM 23 CB THR A 4 -4.655 1.875 -13.020 1.00 0.50 C ATOM 24 OG1 THR A 4 -4.759 2.186 -14.384 1.00 0.89 O ATOM 25 CG2 THR A 4 -5.137 0.433 -12.848 1.00 0.71 C ATOM 0 H THR A 4 -4.494 4.643 -12.063 1.00 0.51 H new ATOM 0 HA THR A 4 -6.587 2.660 -12.569 1.00 0.42 H new ATOM 0 HB THR A 4 -3.639 1.956 -12.635 1.00 0.50 H new ATOM 0 HG1 THR A 4 -4.193 1.577 -14.902 1.00 0.89 H new ATOM 0 HG21 THR A 4 -4.474 -0.240 -13.392 1.00 0.71 H new ATOM 0 HG22 THR A 4 -5.131 0.171 -11.790 1.00 0.71 H new ATOM 0 HG23 THR A 4 -6.150 0.339 -13.239 1.00 0.71 H new ATOM 33 N ARG A 5 -6.465 1.936 -10.244 1.00 0.38 N ATOM 34 CA ARG A 5 -6.572 1.584 -8.853 1.00 0.37 C ATOM 35 C ARG A 5 -6.064 0.162 -8.662 1.00 0.35 C ATOM 36 O ARG A 5 -6.667 -0.793 -9.140 1.00 0.66 O ATOM 37 CB ARG A 5 -8.039 1.648 -8.444 1.00 0.53 C ATOM 38 CG ARG A 5 -8.156 1.302 -6.957 1.00 0.57 C ATOM 39 CD ARG A 5 -9.559 0.802 -6.671 1.00 0.86 C ATOM 40 NE ARG A 5 -10.494 1.935 -6.661 1.00 1.56 N ATOM 41 CZ ARG A 5 -11.796 1.851 -6.357 1.00 2.16 C ATOM 42 NH1 ARG A 5 -12.348 0.651 -6.142 1.00 2.43 N ATOM 43 NH2 ARG A 5 -12.532 2.964 -6.260 1.00 3.28 N ATOM 0 H ARG A 5 -7.233 1.572 -10.808 1.00 0.38 H new ATOM 0 HA ARG A 5 -5.984 2.271 -8.245 1.00 0.37 H new ATOM 0 HB2 ARG A 5 -8.439 2.644 -8.632 1.00 0.53 H new ATOM 0 HB3 ARG A 5 -8.627 0.951 -9.041 1.00 0.53 H new ATOM 0 HG2 ARG A 5 -7.424 0.540 -6.690 1.00 0.57 H new ATOM 0 HG3 ARG A 5 -7.939 2.180 -6.349 1.00 0.57 H new ATOM 0 HD2 ARG A 5 -9.859 0.077 -7.428 1.00 0.86 H new ATOM 0 HD3 ARG A 5 -9.584 0.288 -5.710 1.00 0.86 H new ATOM 0 HE ARG A 5 -10.124 2.854 -6.904 1.00 1.56 H new ATOM 0 HH11 ARG A 5 -11.778 -0.192 -6.210 1.00 2.43 H new ATOM 0 HH12 ARG A 5 -13.339 0.580 -5.910 1.00 2.43 H new ATOM 0 HH21 ARG A 5 -12.102 3.875 -6.417 1.00 3.28 H new ATOM 0 HH22 ARG A 5 -13.523 2.901 -6.029 1.00 3.28 H new ATOM 57 N TYR A 6 -5.013 0.030 -7.869 1.00 0.33 N ATOM 58 CA TYR A 6 -4.538 -1.240 -7.333 1.00 0.29 C ATOM 59 C TYR A 6 -5.024 -1.498 -5.918 1.00 0.34 C ATOM 60 O TYR A 6 -5.219 -0.548 -5.162 1.00 0.63 O ATOM 61 CB TYR A 6 -3.031 -1.278 -7.421 1.00 0.27 C ATOM 62 CG TYR A 6 -2.526 -0.884 -8.777 1.00 0.34 C ATOM 63 CD1 TYR A 6 -3.041 -1.548 -9.900 1.00 1.97 C ATOM 64 CD2 TYR A 6 -1.749 0.274 -8.927 1.00 1.82 C ATOM 65 CE1 TYR A 6 -2.732 -1.086 -11.183 1.00 2.01 C ATOM 66 CE2 TYR A 6 -1.431 0.727 -10.214 1.00 1.83 C ATOM 67 CZ TYR A 6 -1.895 0.032 -11.342 1.00 0.57 C ATOM 68 OH TYR A 6 -1.534 0.446 -12.587 1.00 0.77 O ATOM 0 H TYR A 6 -4.449 0.826 -7.570 1.00 0.33 H new ATOM 0 HA TYR A 6 -4.957 -2.045 -7.936 1.00 0.29 H new ATOM 0 HB2 TYR A 6 -2.609 -0.609 -6.671 1.00 0.27 H new ATOM 0 HB3 TYR A 6 -2.681 -2.283 -7.184 1.00 0.27 H new ATOM 0 HD1 TYR A 6 -3.674 -2.414 -9.774 1.00 1.97 H new ATOM 0 HD2 TYR A 6 -1.399 0.812 -8.058 1.00 1.82 H new ATOM 0 HE1 TYR A 6 -3.136 -1.587 -12.050 1.00 2.01 H new ATOM 0 HE2 TYR A 6 -0.827 1.614 -10.339 1.00 1.83 H new ATOM 0 HH TYR A 6 -0.754 1.035 -12.522 1.00 0.77 H new ATOM 78 N SER A 7 -5.224 -2.780 -5.573 1.00 0.27 N ATOM 79 CA SER A 7 -5.586 -3.218 -4.231 1.00 0.29 C ATOM 80 C SER A 7 -4.596 -4.276 -3.734 1.00 0.28 C ATOM 81 O SER A 7 -4.019 -4.996 -4.546 1.00 0.31 O ATOM 82 CB SER A 7 -7.024 -3.753 -4.226 1.00 0.36 C ATOM 83 OG SER A 7 -7.912 -2.787 -4.761 1.00 2.04 O ATOM 0 H SER A 7 -5.135 -3.549 -6.237 1.00 0.27 H new ATOM 0 HA SER A 7 -5.537 -2.369 -3.549 1.00 0.29 H new ATOM 0 HB2 SER A 7 -7.079 -4.671 -4.811 1.00 0.36 H new ATOM 0 HB3 SER A 7 -7.321 -4.006 -3.208 1.00 0.36 H new ATOM 0 HG SER A 7 -8.825 -3.142 -4.753 1.00 2.04 H new ATOM 89 N TRP A 8 -4.375 -4.355 -2.415 1.00 0.28 N ATOM 90 CA TRP A 8 -3.621 -5.414 -1.742 1.00 0.32 C ATOM 91 C TRP A 8 -4.386 -5.814 -0.479 1.00 0.35 C ATOM 92 O TRP A 8 -5.302 -5.096 -0.076 1.00 0.50 O ATOM 93 CB TRP A 8 -2.217 -4.964 -1.344 1.00 0.31 C ATOM 94 CG TRP A 8 -1.293 -4.365 -2.355 1.00 0.32 C ATOM 95 CD1 TRP A 8 -0.084 -4.822 -2.722 1.00 0.51 C ATOM 96 CD2 TRP A 8 -1.409 -3.118 -3.065 1.00 0.39 C ATOM 97 NE1 TRP A 8 0.604 -3.746 -3.288 1.00 0.85 N ATOM 98 CE2 TRP A 8 -0.113 -2.555 -3.139 1.00 0.84 C ATOM 99 CE3 TRP A 8 -2.127 -2.759 -4.223 1.00 0.77 C ATOM 100 CZ2 TRP A 8 -0.061 -1.301 -3.793 1.00 1.06 C ATOM 101 CZ3 TRP A 8 -1.329 -2.407 -5.357 1.00 0.73 C ATOM 102 CH2 TRP A 8 -0.391 -1.400 -5.134 1.00 0.45 C ATOM 0 H TRP A 8 -4.732 -3.654 -1.765 1.00 0.28 H new ATOM 0 HA TRP A 8 -3.515 -6.250 -2.434 1.00 0.32 H new ATOM 0 HB2 TRP A 8 -2.329 -4.236 -0.541 1.00 0.31 H new ATOM 0 HB3 TRP A 8 -1.710 -5.831 -0.920 1.00 0.31 H new ATOM 0 HD1 TRP A 8 0.286 -5.830 -2.602 1.00 0.51 H new ATOM 0 HE1 TRP A 8 1.511 -3.820 -3.750 1.00 0.85 H new ATOM 0 HE3 TRP A 8 -3.207 -2.750 -4.253 1.00 0.77 H new ATOM 0 HZ2 TRP A 8 0.205 -0.376 -3.304 1.00 1.06 H new ATOM 0 HZ3 TRP A 8 -1.445 -2.887 -6.317 1.00 0.73 H new ATOM 0 HH2 TRP A 8 0.026 -0.775 -5.910 1.00 0.45 H new ATOM 113 N LYS A 9 -3.974 -6.909 0.171 1.00 0.30 N ATOM 114 CA LYS A 9 -4.436 -7.329 1.483 1.00 0.34 C ATOM 115 C LYS A 9 -3.187 -7.283 2.356 1.00 0.43 C ATOM 116 O LYS A 9 -2.177 -7.832 1.925 1.00 0.75 O ATOM 117 CB LYS A 9 -5.057 -8.740 1.421 1.00 0.43 C ATOM 118 CG LYS A 9 -4.206 -9.826 0.723 1.00 1.75 C ATOM 119 CD LYS A 9 -4.791 -10.228 -0.635 1.00 1.20 C ATOM 120 CE LYS A 9 -5.973 -11.202 -0.495 1.00 1.18 C ATOM 121 NZ LYS A 9 -6.585 -11.558 -1.794 1.00 1.94 N ATOM 0 H LYS A 9 -3.283 -7.546 -0.225 1.00 0.30 H new ATOM 0 HA LYS A 9 -5.225 -6.690 1.881 1.00 0.34 H new ATOM 0 HB2 LYS A 9 -5.265 -9.069 2.439 1.00 0.43 H new ATOM 0 HB3 LYS A 9 -6.015 -8.671 0.906 1.00 0.43 H new ATOM 0 HG2 LYS A 9 -3.190 -9.457 0.585 1.00 1.75 H new ATOM 0 HG3 LYS A 9 -4.142 -10.705 1.365 1.00 1.75 H new ATOM 0 HD2 LYS A 9 -5.120 -9.334 -1.165 1.00 1.20 H new ATOM 0 HD3 LYS A 9 -4.012 -10.690 -1.242 1.00 1.20 H new ATOM 0 HE2 LYS A 9 -5.631 -12.111 0.001 1.00 1.18 H new ATOM 0 HE3 LYS A 9 -6.731 -10.754 0.147 1.00 1.18 H new ATOM 0 HZ1 LYS A 9 -7.112 -12.450 -1.697 1.00 1.94 H new ATOM 0 HZ2 LYS A 9 -7.235 -10.802 -2.090 1.00 1.94 H new ATOM 0 HZ3 LYS A 9 -5.839 -11.673 -2.509 1.00 1.94 H new ATOM 135 N VAL A 10 -3.191 -6.596 3.501 1.00 0.34 N ATOM 136 CA VAL A 10 -2.006 -6.462 4.328 1.00 0.40 C ATOM 137 C VAL A 10 -2.336 -7.047 5.692 1.00 0.54 C ATOM 138 O VAL A 10 -3.477 -6.956 6.126 1.00 1.05 O ATOM 139 CB VAL A 10 -1.631 -4.979 4.434 1.00 0.46 C ATOM 140 CG1 VAL A 10 -0.329 -4.843 5.216 1.00 0.62 C ATOM 141 CG2 VAL A 10 -1.412 -4.331 3.066 1.00 0.64 C ATOM 0 H VAL A 10 -4.014 -6.122 3.873 1.00 0.34 H new ATOM 0 HA VAL A 10 -1.154 -6.991 3.900 1.00 0.40 H new ATOM 0 HB VAL A 10 -2.461 -4.478 4.931 1.00 0.46 H new ATOM 0 HG11 VAL A 10 -0.059 -3.790 5.293 1.00 0.62 H new ATOM 0 HG12 VAL A 10 -0.460 -5.258 6.215 1.00 0.62 H new ATOM 0 HG13 VAL A 10 0.464 -5.384 4.699 1.00 0.62 H new ATOM 0 HG21 VAL A 10 -1.149 -3.282 3.198 1.00 0.64 H new ATOM 0 HG22 VAL A 10 -0.604 -4.845 2.545 1.00 0.64 H new ATOM 0 HG23 VAL A 10 -2.327 -4.404 2.478 1.00 0.64 H new ATOM 151 N SER A 11 -1.354 -7.635 6.374 1.00 0.31 N ATOM 152 CA SER A 11 -1.534 -8.150 7.720 1.00 0.38 C ATOM 153 C SER A 11 -0.352 -7.649 8.544 1.00 0.41 C ATOM 154 O SER A 11 0.761 -8.149 8.383 1.00 0.53 O ATOM 155 CB SER A 11 -1.645 -9.682 7.679 1.00 0.49 C ATOM 156 OG SER A 11 -2.508 -10.147 8.697 1.00 1.06 O ATOM 0 H SER A 11 -0.413 -7.765 6.004 1.00 0.31 H new ATOM 0 HA SER A 11 -2.457 -7.799 8.182 1.00 0.38 H new ATOM 0 HB2 SER A 11 -2.019 -9.999 6.705 1.00 0.49 H new ATOM 0 HB3 SER A 11 -0.657 -10.127 7.801 1.00 0.49 H new ATOM 0 HG SER A 11 -2.568 -11.124 8.654 1.00 1.06 H new ATOM 162 N GLY A 12 -0.580 -6.618 9.364 1.00 0.54 N ATOM 163 CA GLY A 12 0.412 -6.128 10.313 1.00 0.66 C ATOM 164 C GLY A 12 0.252 -4.642 10.638 1.00 0.77 C ATOM 165 O GLY A 12 0.701 -4.198 11.694 1.00 1.00 O ATOM 0 H GLY A 12 -1.460 -6.103 9.385 1.00 0.54 H new ATOM 0 HA2 GLY A 12 0.339 -6.705 11.235 1.00 0.66 H new ATOM 0 HA3 GLY A 12 1.409 -6.299 9.907 1.00 0.66 H new ATOM 169 N MET A 13 -0.338 -3.852 9.730 1.00 0.70 N ATOM 170 CA MET A 13 -0.538 -2.421 9.978 1.00 0.79 C ATOM 171 C MET A 13 -1.623 -2.148 11.020 1.00 1.00 C ATOM 172 O MET A 13 -2.664 -1.590 10.684 1.00 1.46 O ATOM 173 CB MET A 13 -0.830 -1.641 8.691 1.00 0.78 C ATOM 174 CG MET A 13 -1.907 -2.246 7.779 1.00 1.16 C ATOM 175 SD MET A 13 -2.983 -1.014 6.996 1.00 1.54 S ATOM 176 CE MET A 13 -3.779 -2.033 5.742 1.00 1.96 C ATOM 0 H MET A 13 -0.681 -4.177 8.826 1.00 0.70 H new ATOM 0 HA MET A 13 0.408 -2.063 10.383 1.00 0.79 H new ATOM 0 HB2 MET A 13 -1.134 -0.630 8.961 1.00 0.78 H new ATOM 0 HB3 MET A 13 0.096 -1.554 8.122 1.00 0.78 H new ATOM 0 HG2 MET A 13 -1.421 -2.836 7.002 1.00 1.16 H new ATOM 0 HG3 MET A 13 -2.521 -2.931 8.363 1.00 1.16 H new ATOM 0 HE1 MET A 13 -4.780 -1.649 5.543 1.00 1.96 H new ATOM 0 HE2 MET A 13 -3.191 -2.007 4.825 1.00 1.96 H new ATOM 0 HE3 MET A 13 -3.849 -3.061 6.099 1.00 1.96 H new ATOM 186 N ASP A 14 -1.354 -2.472 12.284 1.00 1.08 N ATOM 187 CA ASP A 14 -2.325 -2.334 13.354 1.00 1.34 C ATOM 188 C ASP A 14 -1.963 -1.189 14.297 1.00 1.17 C ATOM 189 O ASP A 14 -1.816 -1.394 15.500 1.00 1.51 O ATOM 190 CB ASP A 14 -2.514 -3.675 14.073 1.00 2.01 C ATOM 191 CG ASP A 14 -3.264 -4.656 13.186 1.00 3.04 C ATOM 192 OD1 ASP A 14 -2.587 -5.335 12.382 1.00 4.66 O ATOM 193 OD2 ASP A 14 -4.505 -4.682 13.323 1.00 3.16 O ATOM 0 H ASP A 14 -0.452 -2.838 12.590 1.00 1.08 H new ATOM 0 HA ASP A 14 -3.289 -2.063 12.924 1.00 1.34 H new ATOM 0 HB2 ASP A 14 -1.543 -4.089 14.343 1.00 2.01 H new ATOM 0 HB3 ASP A 14 -3.064 -3.522 15.001 1.00 2.01 H new ATOM 198 N CYS A 15 -1.849 0.036 13.768 1.00 0.77 N ATOM 199 CA CYS A 15 -1.746 1.229 14.604 1.00 0.68 C ATOM 200 C CYS A 15 -1.859 2.502 13.775 1.00 0.88 C ATOM 201 O CYS A 15 -1.393 2.540 12.632 1.00 2.35 O ATOM 202 CB CYS A 15 -0.420 1.280 15.373 1.00 0.78 C ATOM 203 SG CYS A 15 -0.735 2.066 16.969 1.00 1.75 S ATOM 0 H CYS A 15 -1.826 0.222 12.765 1.00 0.77 H new ATOM 0 HA CYS A 15 -2.573 1.169 15.311 1.00 0.68 H new ATOM 0 HB2 CYS A 15 -0.022 0.275 15.514 1.00 0.78 H new ATOM 0 HB3 CYS A 15 0.326 1.842 14.811 1.00 0.78 H new ATOM 0 HG CYS A 15 0.371 2.124 17.650 1.00 1.75 H new ATOM 209 N ALA A 16 -2.399 3.571 14.374 1.00 0.94 N ATOM 210 CA ALA A 16 -2.560 4.876 13.742 1.00 1.01 C ATOM 211 C ALA A 16 -1.227 5.630 13.659 1.00 1.33 C ATOM 212 O ALA A 16 -1.067 6.719 14.204 1.00 2.69 O ATOM 213 CB ALA A 16 -3.632 5.679 14.488 1.00 1.58 C ATOM 0 H ALA A 16 -2.742 3.546 15.334 1.00 0.94 H new ATOM 0 HA ALA A 16 -2.893 4.732 12.714 1.00 1.01 H new ATOM 0 HB1 ALA A 16 -3.751 6.654 14.015 1.00 1.58 H new ATOM 0 HB2 ALA A 16 -4.579 5.141 14.454 1.00 1.58 H new ATOM 0 HB3 ALA A 16 -3.329 5.814 15.526 1.00 1.58 H new ATOM 219 N ALA A 17 -0.272 5.027 12.953 1.00 1.02 N ATOM 220 CA ALA A 17 1.102 5.475 12.788 1.00 1.02 C ATOM 221 C ALA A 17 1.733 4.597 11.709 1.00 0.77 C ATOM 222 O ALA A 17 2.185 5.081 10.671 1.00 1.00 O ATOM 223 CB ALA A 17 1.859 5.352 14.116 1.00 1.30 C ATOM 0 H ALA A 17 -0.453 4.158 12.451 1.00 1.02 H new ATOM 0 HA ALA A 17 1.143 6.523 12.491 1.00 1.02 H new ATOM 0 HB1 ALA A 17 2.887 5.690 13.982 1.00 1.30 H new ATOM 0 HB2 ALA A 17 1.371 5.967 14.872 1.00 1.30 H new ATOM 0 HB3 ALA A 17 1.859 4.311 14.440 1.00 1.30 H new ATOM 229 N CYS A 18 1.669 3.278 11.914 1.00 0.54 N ATOM 230 CA CYS A 18 2.042 2.311 10.891 1.00 0.55 C ATOM 231 C CYS A 18 1.086 2.466 9.713 1.00 0.39 C ATOM 232 O CYS A 18 1.490 2.390 8.552 1.00 0.42 O ATOM 233 CB CYS A 18 2.031 0.890 11.462 1.00 0.78 C ATOM 234 SG CYS A 18 3.616 0.586 12.283 1.00 2.35 S ATOM 0 H CYS A 18 1.358 2.858 12.790 1.00 0.54 H new ATOM 0 HA CYS A 18 3.059 2.496 10.545 1.00 0.55 H new ATOM 0 HB2 CYS A 18 1.210 0.773 12.169 1.00 0.78 H new ATOM 0 HB3 CYS A 18 1.872 0.163 10.665 1.00 0.78 H new ATOM 0 HG CYS A 18 3.625 -0.617 12.777 1.00 2.35 H new ATOM 240 N ALA A 19 -0.171 2.794 10.026 1.00 0.48 N ATOM 241 CA ALA A 19 -1.149 3.233 9.053 1.00 0.69 C ATOM 242 C ALA A 19 -0.584 4.307 8.119 1.00 0.72 C ATOM 243 O ALA A 19 -0.833 4.258 6.917 1.00 1.02 O ATOM 244 CB ALA A 19 -2.406 3.735 9.764 1.00 0.91 C ATOM 0 H ALA A 19 -0.533 2.758 10.979 1.00 0.48 H new ATOM 0 HA ALA A 19 -1.411 2.377 8.432 1.00 0.69 H new ATOM 0 HB1 ALA A 19 -3.136 4.063 9.024 1.00 0.91 H new ATOM 0 HB2 ALA A 19 -2.832 2.929 10.362 1.00 0.91 H new ATOM 0 HB3 ALA A 19 -2.147 4.571 10.414 1.00 0.91 H new ATOM 250 N ARG A 20 0.189 5.275 8.636 1.00 0.55 N ATOM 251 CA ARG A 20 0.817 6.252 7.788 1.00 0.75 C ATOM 252 C ARG A 20 1.985 5.607 7.067 1.00 0.68 C ATOM 253 O ARG A 20 2.122 5.783 5.866 1.00 0.76 O ATOM 254 CB ARG A 20 1.254 7.494 8.558 1.00 0.86 C ATOM 255 CG ARG A 20 0.064 8.185 9.233 1.00 0.92 C ATOM 256 CD ARG A 20 0.547 9.350 10.101 1.00 1.13 C ATOM 257 NE ARG A 20 -0.588 10.005 10.771 1.00 1.45 N ATOM 258 CZ ARG A 20 -0.489 10.885 11.780 1.00 1.83 C ATOM 259 NH1 ARG A 20 0.718 11.266 12.216 1.00 2.68 N ATOM 260 NH2 ARG A 20 -1.594 11.382 12.346 1.00 2.34 N ATOM 0 H ARG A 20 0.382 5.386 9.631 1.00 0.55 H new ATOM 0 HA ARG A 20 0.085 6.595 7.057 1.00 0.75 H new ATOM 0 HB2 ARG A 20 1.990 7.215 9.312 1.00 0.86 H new ATOM 0 HB3 ARG A 20 1.743 8.191 7.878 1.00 0.86 H new ATOM 0 HG2 ARG A 20 -0.630 8.550 8.476 1.00 0.92 H new ATOM 0 HG3 ARG A 20 -0.482 7.468 9.846 1.00 0.92 H new ATOM 0 HD2 ARG A 20 1.255 8.986 10.846 1.00 1.13 H new ATOM 0 HD3 ARG A 20 1.078 10.074 9.484 1.00 1.13 H new ATOM 0 HE ARG A 20 -1.525 9.772 10.442 1.00 1.45 H new ATOM 0 HH11 ARG A 20 1.560 10.888 11.782 1.00 2.68 H new ATOM 0 HH12 ARG A 20 0.796 11.935 12.982 1.00 2.68 H new ATOM 0 HH21 ARG A 20 -2.513 11.092 12.011 1.00 2.34 H new ATOM 0 HH22 ARG A 20 -1.518 12.051 13.113 1.00 2.34 H new ATOM 274 N LYS A 21 2.847 4.865 7.763 1.00 0.56 N ATOM 275 CA LYS A 21 3.998 4.245 7.126 1.00 0.53 C ATOM 276 C LYS A 21 3.617 3.480 5.851 1.00 0.39 C ATOM 277 O LYS A 21 4.367 3.523 4.881 1.00 0.37 O ATOM 278 CB LYS A 21 4.708 3.350 8.137 1.00 0.59 C ATOM 279 CG LYS A 21 5.424 4.137 9.248 1.00 1.35 C ATOM 280 CD LYS A 21 6.726 4.830 8.799 1.00 1.49 C ATOM 281 CE LYS A 21 7.875 3.831 8.578 1.00 2.09 C ATOM 282 NZ LYS A 21 9.132 4.504 8.185 1.00 3.46 N ATOM 0 H LYS A 21 2.767 4.682 8.763 1.00 0.56 H new ATOM 0 HA LYS A 21 4.682 5.030 6.804 1.00 0.53 H new ATOM 0 HB2 LYS A 21 3.980 2.676 8.590 1.00 0.59 H new ATOM 0 HB3 LYS A 21 5.436 2.729 7.614 1.00 0.59 H new ATOM 0 HG2 LYS A 21 4.742 4.891 9.640 1.00 1.35 H new ATOM 0 HG3 LYS A 21 5.653 3.457 10.069 1.00 1.35 H new ATOM 0 HD2 LYS A 21 6.543 5.379 7.875 1.00 1.49 H new ATOM 0 HD3 LYS A 21 7.023 5.561 9.551 1.00 1.49 H new ATOM 0 HE2 LYS A 21 8.040 3.262 9.493 1.00 2.09 H new ATOM 0 HE3 LYS A 21 7.590 3.117 7.805 1.00 2.09 H new ATOM 0 HZ1 LYS A 21 9.878 3.793 8.047 1.00 3.46 H new ATOM 0 HZ2 LYS A 21 8.983 5.027 7.298 1.00 3.46 H new ATOM 0 HZ3 LYS A 21 9.420 5.167 8.933 1.00 3.46 H new ATOM 296 N VAL A 22 2.446 2.840 5.823 1.00 0.37 N ATOM 297 CA VAL A 22 1.870 2.258 4.624 1.00 0.41 C ATOM 298 C VAL A 22 1.778 3.297 3.509 1.00 0.39 C ATOM 299 O VAL A 22 2.377 3.107 2.456 1.00 0.46 O ATOM 300 CB VAL A 22 0.483 1.677 4.945 1.00 0.47 C ATOM 301 CG1 VAL A 22 -0.305 1.328 3.683 1.00 0.57 C ATOM 302 CG2 VAL A 22 0.608 0.389 5.761 1.00 0.50 C ATOM 0 H VAL A 22 1.866 2.713 6.652 1.00 0.37 H new ATOM 0 HA VAL A 22 2.517 1.453 4.276 1.00 0.41 H new ATOM 0 HB VAL A 22 -0.041 2.451 5.506 1.00 0.47 H new ATOM 0 HG11 VAL A 22 -1.277 0.921 3.962 1.00 0.57 H new ATOM 0 HG12 VAL A 22 -0.446 2.226 3.082 1.00 0.57 H new ATOM 0 HG13 VAL A 22 0.246 0.587 3.104 1.00 0.57 H new ATOM 0 HG21 VAL A 22 -0.386 -0.003 5.976 1.00 0.50 H new ATOM 0 HG22 VAL A 22 1.174 -0.349 5.192 1.00 0.50 H new ATOM 0 HG23 VAL A 22 1.125 0.600 6.697 1.00 0.50 H new ATOM 312 N GLU A 23 1.031 4.389 3.703 1.00 0.37 N ATOM 313 CA GLU A 23 0.850 5.338 2.616 1.00 0.39 C ATOM 314 C GLU A 23 2.191 5.981 2.295 1.00 0.29 C ATOM 315 O GLU A 23 2.516 6.184 1.141 1.00 0.28 O ATOM 316 CB GLU A 23 -0.252 6.372 2.889 1.00 0.58 C ATOM 317 CG GLU A 23 0.036 7.249 4.110 1.00 0.66 C ATOM 318 CD GLU A 23 -0.936 8.405 4.277 1.00 0.95 C ATOM 319 OE1 GLU A 23 -1.197 9.074 3.251 1.00 2.18 O ATOM 320 OE2 GLU A 23 -1.332 8.650 5.435 1.00 1.56 O ATOM 0 H GLU A 23 0.559 4.627 4.575 1.00 0.37 H new ATOM 0 HA GLU A 23 0.496 4.794 1.740 1.00 0.39 H new ATOM 0 HB2 GLU A 23 -0.370 7.008 2.012 1.00 0.58 H new ATOM 0 HB3 GLU A 23 -1.199 5.854 3.037 1.00 0.58 H new ATOM 0 HG2 GLU A 23 0.006 6.629 5.006 1.00 0.66 H new ATOM 0 HG3 GLU A 23 1.048 7.646 4.030 1.00 0.66 H new ATOM 327 N ASN A 24 3.017 6.269 3.292 1.00 0.29 N ATOM 328 CA ASN A 24 4.299 6.924 3.089 1.00 0.31 C ATOM 329 C ASN A 24 5.237 6.013 2.296 1.00 0.29 C ATOM 330 O ASN A 24 5.993 6.501 1.454 1.00 0.34 O ATOM 331 CB ASN A 24 4.883 7.372 4.427 1.00 0.39 C ATOM 332 CG ASN A 24 4.148 8.589 5.000 1.00 0.48 C ATOM 333 OD1 ASN A 24 4.644 9.707 4.939 1.00 0.59 O ATOM 334 ND2 ASN A 24 2.957 8.377 5.552 1.00 0.54 N ATOM 0 H ASN A 24 2.814 6.053 4.268 1.00 0.29 H new ATOM 0 HA ASN A 24 4.162 7.826 2.493 1.00 0.31 H new ATOM 0 HB2 ASN A 24 4.829 6.549 5.139 1.00 0.39 H new ATOM 0 HB3 ASN A 24 5.938 7.614 4.298 1.00 0.39 H new ATOM 0 HD21 ASN A 24 2.429 9.158 5.940 1.00 0.54 H new ATOM 0 HD22 ASN A 24 2.572 7.433 5.587 1.00 0.54 H new ATOM 341 N ALA A 25 5.146 4.692 2.507 1.00 0.27 N ATOM 342 CA ALA A 25 5.827 3.702 1.673 1.00 0.31 C ATOM 343 C ALA A 25 5.420 3.800 0.195 1.00 0.27 C ATOM 344 O ALA A 25 6.156 3.337 -0.672 1.00 0.31 O ATOM 345 CB ALA A 25 5.595 2.292 2.227 1.00 0.38 C ATOM 0 H ALA A 25 4.596 4.284 3.263 1.00 0.27 H new ATOM 0 HA ALA A 25 6.895 3.919 1.710 1.00 0.31 H new ATOM 0 HB1 ALA A 25 6.107 1.565 1.597 1.00 0.38 H new ATOM 0 HB2 ALA A 25 5.986 2.231 3.243 1.00 0.38 H new ATOM 0 HB3 ALA A 25 4.527 2.076 2.236 1.00 0.38 H new ATOM 351 N VAL A 26 4.264 4.404 -0.090 1.00 0.25 N ATOM 352 CA VAL A 26 3.685 4.553 -1.417 1.00 0.26 C ATOM 353 C VAL A 26 3.955 5.976 -1.944 1.00 0.23 C ATOM 354 O VAL A 26 4.367 6.171 -3.083 1.00 0.26 O ATOM 355 CB VAL A 26 2.180 4.225 -1.308 1.00 0.38 C ATOM 356 CG1 VAL A 26 1.472 4.281 -2.654 1.00 1.38 C ATOM 357 CG2 VAL A 26 1.923 2.832 -0.727 1.00 1.72 C ATOM 0 H VAL A 26 3.682 4.821 0.637 1.00 0.25 H new ATOM 0 HA VAL A 26 4.136 3.870 -2.136 1.00 0.26 H new ATOM 0 HB VAL A 26 1.784 4.991 -0.641 1.00 0.38 H new ATOM 0 HG11 VAL A 26 0.417 4.042 -2.520 1.00 1.38 H new ATOM 0 HG12 VAL A 26 1.567 5.282 -3.074 1.00 1.38 H new ATOM 0 HG13 VAL A 26 1.924 3.558 -3.333 1.00 1.38 H new ATOM 0 HG21 VAL A 26 0.849 2.653 -0.672 1.00 1.72 H new ATOM 0 HG22 VAL A 26 2.384 2.080 -1.367 1.00 1.72 H new ATOM 0 HG23 VAL A 26 2.353 2.770 0.273 1.00 1.72 H new ATOM 367 N ARG A 27 3.756 6.995 -1.109 1.00 0.21 N ATOM 368 CA ARG A 27 3.867 8.399 -1.481 1.00 0.24 C ATOM 369 C ARG A 27 5.293 8.706 -1.935 1.00 0.24 C ATOM 370 O ARG A 27 5.502 9.522 -2.827 1.00 0.32 O ATOM 371 CB ARG A 27 3.451 9.277 -0.291 1.00 0.31 C ATOM 372 CG ARG A 27 1.954 9.105 0.023 1.00 0.44 C ATOM 373 CD ARG A 27 1.558 9.540 1.433 1.00 0.97 C ATOM 374 NE ARG A 27 1.650 11.000 1.594 1.00 0.79 N ATOM 375 CZ ARG A 27 0.620 11.841 1.803 1.00 1.74 C ATOM 376 NH1 ARG A 27 -0.592 11.400 2.157 1.00 2.70 N ATOM 377 NH2 ARG A 27 0.813 13.156 1.646 1.00 2.43 N ATOM 0 H ARG A 27 3.507 6.860 -0.129 1.00 0.21 H new ATOM 0 HA ARG A 27 3.200 8.617 -2.315 1.00 0.24 H new ATOM 0 HB2 ARG A 27 4.043 9.013 0.585 1.00 0.31 H new ATOM 0 HB3 ARG A 27 3.662 10.323 -0.515 1.00 0.31 H new ATOM 0 HG2 ARG A 27 1.374 9.680 -0.699 1.00 0.44 H new ATOM 0 HG3 ARG A 27 1.684 8.058 -0.112 1.00 0.44 H new ATOM 0 HD2 ARG A 27 0.539 9.213 1.643 1.00 0.97 H new ATOM 0 HD3 ARG A 27 2.206 9.051 2.161 1.00 0.97 H new ATOM 0 HE ARG A 27 2.581 11.413 1.542 1.00 0.79 H new ATOM 0 HH11 ARG A 27 -0.756 10.400 2.276 1.00 2.70 H new ATOM 0 HH12 ARG A 27 -1.352 12.063 2.308 1.00 2.70 H new ATOM 0 HH21 ARG A 27 1.730 13.508 1.372 1.00 2.43 H new ATOM 0 HH22 ARG A 27 0.043 13.807 1.801 1.00 2.43 H new ATOM 391 N GLN A 28 6.270 8.020 -1.336 1.00 0.24 N ATOM 392 CA GLN A 28 7.670 8.120 -1.714 1.00 0.27 C ATOM 393 C GLN A 28 7.977 7.700 -3.159 1.00 0.24 C ATOM 394 O GLN A 28 9.107 7.905 -3.592 1.00 0.29 O ATOM 395 CB GLN A 28 8.543 7.398 -0.684 1.00 0.34 C ATOM 396 CG GLN A 28 8.397 5.870 -0.725 1.00 0.37 C ATOM 397 CD GLN A 28 9.051 5.231 0.498 1.00 0.53 C ATOM 398 OE1 GLN A 28 9.931 4.383 0.387 1.00 0.68 O ATOM 399 NE2 GLN A 28 8.635 5.647 1.689 1.00 0.66 N ATOM 0 H GLN A 28 6.102 7.373 -0.566 1.00 0.24 H new ATOM 0 HA GLN A 28 7.922 9.181 -1.703 1.00 0.27 H new ATOM 0 HB2 GLN A 28 9.587 7.661 -0.856 1.00 0.34 H new ATOM 0 HB3 GLN A 28 8.285 7.754 0.313 1.00 0.34 H new ATOM 0 HG2 GLN A 28 7.341 5.602 -0.761 1.00 0.37 H new ATOM 0 HG3 GLN A 28 8.856 5.480 -1.634 1.00 0.37 H new ATOM 0 HE21 GLN A 28 7.902 6.353 1.755 1.00 0.66 H new ATOM 0 HE22 GLN A 28 9.049 5.260 2.537 1.00 0.66 H new ATOM 408 N LEU A 29 7.053 7.032 -3.867 1.00 0.20 N ATOM 409 CA LEU A 29 7.266 6.644 -5.260 1.00 0.22 C ATOM 410 C LEU A 29 7.260 7.879 -6.165 1.00 0.26 C ATOM 411 O LEU A 29 8.134 8.735 -6.070 1.00 0.42 O ATOM 412 CB LEU A 29 6.268 5.568 -5.669 1.00 0.27 C ATOM 413 CG LEU A 29 6.424 4.332 -4.777 1.00 0.46 C ATOM 414 CD1 LEU A 29 5.970 3.127 -5.572 1.00 0.39 C ATOM 415 CD2 LEU A 29 7.843 4.036 -4.272 1.00 0.84 C ATOM 0 H LEU A 29 6.148 6.750 -3.490 1.00 0.20 H new ATOM 0 HA LEU A 29 8.253 6.195 -5.375 1.00 0.22 H new ATOM 0 HB2 LEU A 29 5.252 5.956 -5.591 1.00 0.27 H new ATOM 0 HB3 LEU A 29 6.425 5.294 -6.712 1.00 0.27 H new ATOM 0 HG LEU A 29 5.828 4.540 -3.889 1.00 0.46 H new ATOM 0 HD11 LEU A 29 6.070 2.230 -4.961 1.00 0.39 H new ATOM 0 HD12 LEU A 29 4.927 3.254 -5.862 1.00 0.39 H new ATOM 0 HD13 LEU A 29 6.586 3.028 -6.466 1.00 0.39 H new ATOM 0 HD21 LEU A 29 7.829 3.140 -3.652 1.00 0.84 H new ATOM 0 HD22 LEU A 29 8.506 3.879 -5.122 1.00 0.84 H new ATOM 0 HD23 LEU A 29 8.203 4.879 -3.683 1.00 0.84 H new ATOM 427 N ALA A 30 6.283 7.963 -7.063 1.00 0.24 N ATOM 428 CA ALA A 30 6.203 9.046 -8.042 1.00 0.27 C ATOM 429 C ALA A 30 4.920 8.919 -8.848 1.00 0.30 C ATOM 430 O ALA A 30 4.186 9.884 -9.028 1.00 0.34 O ATOM 431 CB ALA A 30 7.405 9.001 -8.997 1.00 0.29 C ATOM 0 H ALA A 30 5.525 7.284 -7.134 1.00 0.24 H new ATOM 0 HA ALA A 30 6.210 9.995 -7.506 1.00 0.27 H new ATOM 0 HB1 ALA A 30 7.327 9.815 -9.718 1.00 0.29 H new ATOM 0 HB2 ALA A 30 8.327 9.109 -8.426 1.00 0.29 H new ATOM 0 HB3 ALA A 30 7.414 8.048 -9.525 1.00 0.29 H new ATOM 437 N GLY A 31 4.668 7.707 -9.343 1.00 0.31 N ATOM 438 CA GLY A 31 3.512 7.444 -10.194 1.00 0.35 C ATOM 439 C GLY A 31 2.201 7.417 -9.402 1.00 0.30 C ATOM 440 O GLY A 31 1.111 7.542 -9.963 1.00 0.38 O ATOM 0 H GLY A 31 5.253 6.890 -9.167 1.00 0.31 H new ATOM 0 HA2 GLY A 31 3.451 8.210 -10.967 1.00 0.35 H new ATOM 0 HA3 GLY A 31 3.647 6.489 -10.701 1.00 0.35 H new ATOM 444 N VAL A 32 2.319 7.222 -8.088 1.00 0.24 N ATOM 445 CA VAL A 32 1.227 7.313 -7.139 1.00 0.23 C ATOM 446 C VAL A 32 0.612 8.706 -7.201 1.00 0.31 C ATOM 447 O VAL A 32 1.338 9.691 -7.314 1.00 0.45 O ATOM 448 CB VAL A 32 1.793 7.015 -5.744 1.00 0.30 C ATOM 449 CG1 VAL A 32 0.795 7.330 -4.617 1.00 0.48 C ATOM 450 CG2 VAL A 32 2.232 5.544 -5.699 1.00 0.25 C ATOM 0 H VAL A 32 3.209 6.989 -7.648 1.00 0.24 H new ATOM 0 HA VAL A 32 0.441 6.595 -7.373 1.00 0.23 H new ATOM 0 HB VAL A 32 2.649 7.668 -5.572 1.00 0.30 H new ATOM 0 HG11 VAL A 32 1.250 7.100 -3.653 1.00 0.48 H new ATOM 0 HG12 VAL A 32 0.530 8.387 -4.650 1.00 0.48 H new ATOM 0 HG13 VAL A 32 -0.103 6.727 -4.748 1.00 0.48 H new ATOM 0 HG21 VAL A 32 2.637 5.315 -4.713 1.00 0.25 H new ATOM 0 HG22 VAL A 32 1.374 4.902 -5.896 1.00 0.25 H new ATOM 0 HG23 VAL A 32 2.997 5.369 -6.455 1.00 0.25 H new ATOM 460 N ASN A 33 -0.713 8.785 -7.062 1.00 0.37 N ATOM 461 CA ASN A 33 -1.397 10.056 -6.873 1.00 0.54 C ATOM 462 C ASN A 33 -2.304 10.013 -5.650 1.00 0.44 C ATOM 463 O ASN A 33 -2.307 10.968 -4.874 1.00 0.76 O ATOM 464 CB ASN A 33 -2.118 10.501 -8.150 1.00 0.90 C ATOM 465 CG ASN A 33 -3.000 9.424 -8.768 1.00 1.08 C ATOM 466 OD1 ASN A 33 -4.064 9.108 -8.250 1.00 2.89 O ATOM 467 ND2 ASN A 33 -2.558 8.901 -9.901 1.00 0.85 N ATOM 0 H ASN A 33 -1.333 7.975 -7.078 1.00 0.37 H new ATOM 0 HA ASN A 33 -0.649 10.823 -6.672 1.00 0.54 H new ATOM 0 HB2 ASN A 33 -2.731 11.373 -7.924 1.00 0.90 H new ATOM 0 HB3 ASN A 33 -1.376 10.814 -8.884 1.00 0.90 H new ATOM 0 HD21 ASN A 33 -3.112 8.197 -10.388 1.00 0.85 H new ATOM 0 HD22 ASN A 33 -1.663 9.202 -10.287 1.00 0.85 H new ATOM 474 N GLN A 34 -3.065 8.932 -5.448 1.00 0.32 N ATOM 475 CA GLN A 34 -4.012 8.816 -4.347 1.00 0.40 C ATOM 476 C GLN A 34 -3.837 7.439 -3.701 1.00 0.43 C ATOM 477 O GLN A 34 -3.413 6.492 -4.356 1.00 0.93 O ATOM 478 CB GLN A 34 -5.427 9.049 -4.897 1.00 0.58 C ATOM 479 CG GLN A 34 -5.661 10.531 -5.237 1.00 1.32 C ATOM 480 CD GLN A 34 -6.749 10.717 -6.290 1.00 0.95 C ATOM 481 OE1 GLN A 34 -7.843 11.180 -5.983 1.00 1.26 O ATOM 482 NE2 GLN A 34 -6.454 10.383 -7.543 1.00 0.78 N ATOM 0 H GLN A 34 -3.037 8.110 -6.051 1.00 0.32 H new ATOM 0 HA GLN A 34 -3.836 9.563 -3.573 1.00 0.40 H new ATOM 0 HB2 GLN A 34 -5.576 8.442 -5.790 1.00 0.58 H new ATOM 0 HB3 GLN A 34 -6.163 8.722 -4.162 1.00 0.58 H new ATOM 0 HG2 GLN A 34 -5.939 11.070 -4.331 1.00 1.32 H new ATOM 0 HG3 GLN A 34 -4.731 10.970 -5.597 1.00 1.32 H new ATOM 0 HE21 GLN A 34 -5.535 10.000 -7.766 1.00 0.78 H new ATOM 0 HE22 GLN A 34 -7.147 10.509 -8.281 1.00 0.78 H new ATOM 491 N VAL A 35 -4.107 7.328 -2.398 1.00 0.33 N ATOM 492 CA VAL A 35 -3.901 6.110 -1.622 1.00 0.30 C ATOM 493 C VAL A 35 -5.040 5.980 -0.612 1.00 0.33 C ATOM 494 O VAL A 35 -5.510 6.988 -0.088 1.00 0.47 O ATOM 495 CB VAL A 35 -2.526 6.149 -0.928 1.00 0.44 C ATOM 496 CG1 VAL A 35 -2.320 4.927 -0.023 1.00 2.48 C ATOM 497 CG2 VAL A 35 -1.378 6.225 -1.941 1.00 2.35 C ATOM 0 H VAL A 35 -4.482 8.099 -1.845 1.00 0.33 H new ATOM 0 HA VAL A 35 -3.907 5.237 -2.275 1.00 0.30 H new ATOM 0 HB VAL A 35 -2.515 7.052 -0.318 1.00 0.44 H new ATOM 0 HG11 VAL A 35 -1.340 4.986 0.451 1.00 2.48 H new ATOM 0 HG12 VAL A 35 -3.094 4.908 0.744 1.00 2.48 H new ATOM 0 HG13 VAL A 35 -2.379 4.017 -0.621 1.00 2.48 H new ATOM 0 HG21 VAL A 35 -0.426 6.251 -1.411 1.00 2.35 H new ATOM 0 HG22 VAL A 35 -1.408 5.351 -2.591 1.00 2.35 H new ATOM 0 HG23 VAL A 35 -1.483 7.128 -2.543 1.00 2.35 H new ATOM 507 N GLN A 36 -5.499 4.748 -0.365 1.00 0.35 N ATOM 508 CA GLN A 36 -6.623 4.418 0.486 1.00 0.46 C ATOM 509 C GLN A 36 -6.236 3.240 1.388 1.00 0.38 C ATOM 510 O GLN A 36 -6.476 2.076 1.063 1.00 0.46 O ATOM 511 CB GLN A 36 -7.806 4.086 -0.426 1.00 0.83 C ATOM 512 CG GLN A 36 -8.531 5.343 -0.904 1.00 1.08 C ATOM 513 CD GLN A 36 -9.247 5.063 -2.226 1.00 1.10 C ATOM 514 OE1 GLN A 36 -10.314 4.454 -2.240 1.00 1.69 O ATOM 515 NE2 GLN A 36 -8.631 5.451 -3.340 1.00 1.25 N ATOM 0 H GLN A 36 -5.068 3.921 -0.779 1.00 0.35 H new ATOM 0 HA GLN A 36 -6.902 5.246 1.137 1.00 0.46 H new ATOM 0 HB2 GLN A 36 -7.451 3.522 -1.289 1.00 0.83 H new ATOM 0 HB3 GLN A 36 -8.507 3.444 0.108 1.00 0.83 H new ATOM 0 HG2 GLN A 36 -9.251 5.666 -0.152 1.00 1.08 H new ATOM 0 HG3 GLN A 36 -7.818 6.157 -1.032 1.00 1.08 H new ATOM 0 HE21 GLN A 36 -7.746 5.955 -3.284 1.00 1.25 H new ATOM 0 HE22 GLN A 36 -9.044 5.245 -4.250 1.00 1.25 H new ATOM 524 N VAL A 37 -5.686 3.574 2.555 1.00 0.32 N ATOM 525 CA VAL A 37 -5.352 2.656 3.636 1.00 0.33 C ATOM 526 C VAL A 37 -6.541 2.564 4.595 1.00 0.38 C ATOM 527 O VAL A 37 -6.710 3.424 5.457 1.00 0.61 O ATOM 528 CB VAL A 37 -4.117 3.175 4.416 1.00 0.43 C ATOM 529 CG1 VAL A 37 -3.569 2.055 5.308 1.00 2.23 C ATOM 530 CG2 VAL A 37 -3.008 3.762 3.536 1.00 1.67 C ATOM 0 H VAL A 37 -5.451 4.541 2.780 1.00 0.32 H new ATOM 0 HA VAL A 37 -5.125 1.676 3.216 1.00 0.33 H new ATOM 0 HB VAL A 37 -4.465 4.011 5.023 1.00 0.43 H new ATOM 0 HG11 VAL A 37 -2.700 2.419 5.857 1.00 2.23 H new ATOM 0 HG12 VAL A 37 -4.339 1.742 6.013 1.00 2.23 H new ATOM 0 HG13 VAL A 37 -3.277 1.207 4.689 1.00 2.23 H new ATOM 0 HG21 VAL A 37 -2.185 4.100 4.165 1.00 1.67 H new ATOM 0 HG22 VAL A 37 -2.648 2.998 2.846 1.00 1.67 H new ATOM 0 HG23 VAL A 37 -3.401 4.606 2.969 1.00 1.67 H new ATOM 540 N LEU A 38 -7.352 1.506 4.496 1.00 0.40 N ATOM 541 CA LEU A 38 -8.395 1.244 5.454 1.00 0.40 C ATOM 542 C LEU A 38 -7.831 0.206 6.428 1.00 0.33 C ATOM 543 O LEU A 38 -8.207 -0.968 6.432 1.00 0.58 O ATOM 544 CB LEU A 38 -9.643 0.822 4.677 1.00 0.49 C ATOM 545 CG LEU A 38 -10.816 0.462 5.582 1.00 0.46 C ATOM 546 CD1 LEU A 38 -11.167 1.536 6.620 1.00 0.45 C ATOM 547 CD2 LEU A 38 -12.054 0.143 4.735 1.00 0.53 C ATOM 0 H LEU A 38 -7.293 0.817 3.746 1.00 0.40 H new ATOM 0 HA LEU A 38 -8.703 2.102 6.051 1.00 0.40 H new ATOM 0 HB2 LEU A 38 -9.941 1.632 4.011 1.00 0.49 H new ATOM 0 HB3 LEU A 38 -9.400 -0.035 4.048 1.00 0.49 H new ATOM 0 HG LEU A 38 -10.495 -0.414 6.146 1.00 0.46 H new ATOM 0 HD11 LEU A 38 -12.012 1.199 7.221 1.00 0.45 H new ATOM 0 HD12 LEU A 38 -10.308 1.711 7.267 1.00 0.45 H new ATOM 0 HD13 LEU A 38 -11.431 2.462 6.110 1.00 0.45 H new ATOM 0 HD21 LEU A 38 -12.887 -0.113 5.390 1.00 0.53 H new ATOM 0 HD22 LEU A 38 -12.319 1.014 4.135 1.00 0.53 H new ATOM 0 HD23 LEU A 38 -11.838 -0.699 4.077 1.00 0.53 H new ATOM 559 N PHE A 39 -6.892 0.677 7.251 1.00 0.91 N ATOM 560 CA PHE A 39 -6.520 0.014 8.493 1.00 1.04 C ATOM 561 C PHE A 39 -7.822 -0.201 9.271 1.00 1.19 C ATOM 562 O PHE A 39 -8.497 0.788 9.554 1.00 2.05 O ATOM 563 CB PHE A 39 -5.524 0.913 9.251 1.00 1.82 C ATOM 564 CG PHE A 39 -5.423 0.689 10.745 1.00 0.86 C ATOM 565 CD1 PHE A 39 -5.450 -0.618 11.259 1.00 2.62 C ATOM 566 CD2 PHE A 39 -5.290 1.782 11.621 1.00 1.83 C ATOM 567 CE1 PHE A 39 -5.442 -0.826 12.643 1.00 3.46 C ATOM 568 CE2 PHE A 39 -5.196 1.566 13.007 1.00 2.62 C ATOM 569 CZ PHE A 39 -5.297 0.261 13.522 1.00 3.08 C ATOM 0 H PHE A 39 -6.368 1.533 7.070 1.00 0.91 H new ATOM 0 HA PHE A 39 -6.029 -0.946 8.336 1.00 1.04 H new ATOM 0 HB2 PHE A 39 -4.535 0.771 8.816 1.00 1.82 H new ATOM 0 HB3 PHE A 39 -5.802 1.953 9.079 1.00 1.82 H new ATOM 0 HD1 PHE A 39 -5.477 -1.462 10.586 1.00 2.62 H new ATOM 0 HD2 PHE A 39 -5.260 2.788 11.228 1.00 1.83 H new ATOM 0 HE1 PHE A 39 -5.548 -1.826 13.037 1.00 3.46 H new ATOM 0 HE2 PHE A 39 -5.046 2.401 13.675 1.00 2.62 H new ATOM 0 HZ PHE A 39 -5.263 0.095 14.589 1.00 3.08 H new ATOM 579 N ALA A 40 -8.183 -1.467 9.527 1.00 0.92 N ATOM 580 CA ALA A 40 -9.440 -1.972 10.087 1.00 1.13 C ATOM 581 C ALA A 40 -10.025 -3.052 9.176 1.00 0.94 C ATOM 582 O ALA A 40 -10.692 -3.963 9.662 1.00 1.40 O ATOM 583 CB ALA A 40 -10.505 -0.895 10.339 1.00 1.59 C ATOM 0 H ALA A 40 -7.540 -2.233 9.327 1.00 0.92 H new ATOM 0 HA ALA A 40 -9.178 -2.380 11.063 1.00 1.13 H new ATOM 0 HB1 ALA A 40 -11.400 -1.359 10.753 1.00 1.59 H new ATOM 0 HB2 ALA A 40 -10.118 -0.159 11.044 1.00 1.59 H new ATOM 0 HB3 ALA A 40 -10.753 -0.402 9.399 1.00 1.59 H new ATOM 589 N THR A 41 -9.822 -2.923 7.859 1.00 0.67 N ATOM 590 CA THR A 41 -10.303 -3.888 6.871 1.00 0.46 C ATOM 591 C THR A 41 -9.123 -4.525 6.129 1.00 0.37 C ATOM 592 O THR A 41 -9.327 -5.295 5.194 1.00 0.72 O ATOM 593 CB THR A 41 -11.301 -3.198 5.927 1.00 0.57 C ATOM 594 OG1 THR A 41 -12.164 -2.386 6.700 1.00 0.90 O ATOM 595 CG2 THR A 41 -12.179 -4.182 5.142 1.00 1.01 C ATOM 0 H THR A 41 -9.315 -2.139 7.449 1.00 0.67 H new ATOM 0 HA THR A 41 -10.831 -4.702 7.367 1.00 0.46 H new ATOM 0 HB THR A 41 -10.712 -2.627 5.209 1.00 0.57 H new ATOM 0 HG1 THR A 41 -12.979 -2.196 6.190 1.00 0.90 H new ATOM 0 HG21 THR A 41 -12.859 -3.627 4.496 1.00 1.01 H new ATOM 0 HG22 THR A 41 -11.547 -4.828 4.533 1.00 1.01 H new ATOM 0 HG23 THR A 41 -12.756 -4.791 5.839 1.00 1.01 H new ATOM 603 N GLU A 42 -7.889 -4.210 6.539 1.00 0.37 N ATOM 604 CA GLU A 42 -6.664 -4.862 6.114 1.00 0.64 C ATOM 605 C GLU A 42 -6.542 -4.999 4.606 1.00 0.76 C ATOM 606 O GLU A 42 -5.986 -5.970 4.087 1.00 0.98 O ATOM 607 CB GLU A 42 -6.492 -6.164 6.902 1.00 0.81 C ATOM 608 CG GLU A 42 -5.831 -5.807 8.236 1.00 1.90 C ATOM 609 CD GLU A 42 -6.740 -4.937 9.112 1.00 2.72 C ATOM 610 OE1 GLU A 42 -6.753 -3.698 8.896 1.00 3.68 O ATOM 611 OE2 GLU A 42 -7.496 -5.533 9.903 1.00 3.36 O ATOM 0 H GLU A 42 -7.719 -3.458 7.207 1.00 0.37 H new ATOM 0 HA GLU A 42 -5.815 -4.222 6.355 1.00 0.64 H new ATOM 0 HB2 GLU A 42 -7.457 -6.643 7.068 1.00 0.81 H new ATOM 0 HB3 GLU A 42 -5.877 -6.871 6.346 1.00 0.81 H new ATOM 0 HG2 GLU A 42 -5.579 -6.722 8.772 1.00 1.90 H new ATOM 0 HG3 GLU A 42 -4.896 -5.280 8.048 1.00 1.90 H new ATOM 618 N LYS A 43 -7.003 -3.962 3.911 1.00 0.67 N ATOM 619 CA LYS A 43 -7.011 -3.889 2.475 1.00 0.73 C ATOM 620 C LYS A 43 -6.384 -2.548 2.139 1.00 0.63 C ATOM 621 O LYS A 43 -6.802 -1.513 2.665 1.00 0.82 O ATOM 622 CB LYS A 43 -8.436 -4.107 1.938 1.00 1.03 C ATOM 623 CG LYS A 43 -9.399 -2.938 2.194 1.00 1.37 C ATOM 624 CD LYS A 43 -9.453 -2.020 0.962 1.00 1.20 C ATOM 625 CE LYS A 43 -9.895 -0.601 1.343 1.00 0.56 C ATOM 626 NZ LYS A 43 -10.212 0.229 0.165 1.00 1.18 N ATOM 0 H LYS A 43 -7.390 -3.130 4.357 1.00 0.67 H new ATOM 0 HA LYS A 43 -6.434 -4.675 1.988 1.00 0.73 H new ATOM 0 HB2 LYS A 43 -8.382 -4.289 0.865 1.00 1.03 H new ATOM 0 HB3 LYS A 43 -8.848 -5.007 2.393 1.00 1.03 H new ATOM 0 HG2 LYS A 43 -10.395 -3.319 2.417 1.00 1.37 H new ATOM 0 HG3 LYS A 43 -9.072 -2.371 3.066 1.00 1.37 H new ATOM 0 HD2 LYS A 43 -8.471 -1.983 0.490 1.00 1.20 H new ATOM 0 HD3 LYS A 43 -10.144 -2.434 0.228 1.00 1.20 H new ATOM 0 HE2 LYS A 43 -10.771 -0.658 1.989 1.00 0.56 H new ATOM 0 HE3 LYS A 43 -9.105 -0.121 1.920 1.00 0.56 H new ATOM 0 HZ1 LYS A 43 -10.724 1.082 0.469 1.00 1.18 H new ATOM 0 HZ2 LYS A 43 -9.330 0.506 -0.312 1.00 1.18 H new ATOM 0 HZ3 LYS A 43 -10.806 -0.315 -0.493 1.00 1.18 H new ATOM 640 N LEU A 44 -5.354 -2.576 1.302 1.00 0.40 N ATOM 641 CA LEU A 44 -4.685 -1.373 0.860 1.00 0.35 C ATOM 642 C LEU A 44 -5.260 -1.062 -0.503 1.00 0.29 C ATOM 643 O LEU A 44 -5.452 -2.000 -1.276 1.00 0.36 O ATOM 644 CB LEU A 44 -3.180 -1.632 0.701 1.00 0.40 C ATOM 645 CG LEU A 44 -2.288 -0.509 1.258 1.00 0.65 C ATOM 646 CD1 LEU A 44 -1.015 -0.454 0.430 1.00 0.50 C ATOM 647 CD2 LEU A 44 -2.875 0.901 1.181 1.00 1.45 C ATOM 0 H LEU A 44 -4.964 -3.435 0.915 1.00 0.40 H new ATOM 0 HA LEU A 44 -4.825 -0.561 1.574 1.00 0.35 H new ATOM 0 HB2 LEU A 44 -2.928 -2.565 1.204 1.00 0.40 H new ATOM 0 HB3 LEU A 44 -2.955 -1.769 -0.357 1.00 0.40 H new ATOM 0 HG LEU A 44 -2.150 -0.760 2.310 1.00 0.65 H new ATOM 0 HD11 LEU A 44 -0.368 0.337 0.809 1.00 0.50 H new ATOM 0 HD12 LEU A 44 -0.496 -1.410 0.496 1.00 0.50 H new ATOM 0 HD13 LEU A 44 -1.266 -0.249 -0.611 1.00 0.50 H new ATOM 0 HD21 LEU A 44 -2.165 1.614 1.600 1.00 1.45 H new ATOM 0 HD22 LEU A 44 -3.074 1.156 0.140 1.00 1.45 H new ATOM 0 HD23 LEU A 44 -3.805 0.939 1.748 1.00 1.45 H new ATOM 659 N VAL A 45 -5.502 0.212 -0.816 1.00 0.25 N ATOM 660 CA VAL A 45 -5.716 0.641 -2.183 1.00 0.24 C ATOM 661 C VAL A 45 -4.758 1.762 -2.550 1.00 0.26 C ATOM 662 O VAL A 45 -4.409 2.575 -1.700 1.00 0.47 O ATOM 663 CB VAL A 45 -7.196 0.984 -2.372 1.00 0.31 C ATOM 664 CG1 VAL A 45 -7.481 1.774 -3.651 1.00 0.64 C ATOM 665 CG2 VAL A 45 -7.912 -0.352 -2.431 1.00 0.70 C ATOM 0 H VAL A 45 -5.553 0.964 -0.129 1.00 0.25 H new ATOM 0 HA VAL A 45 -5.488 -0.163 -2.882 1.00 0.24 H new ATOM 0 HB VAL A 45 -7.531 1.624 -1.555 1.00 0.31 H new ATOM 0 HG11 VAL A 45 -8.549 1.982 -3.720 1.00 0.64 H new ATOM 0 HG12 VAL A 45 -6.929 2.714 -3.629 1.00 0.64 H new ATOM 0 HG13 VAL A 45 -7.169 1.190 -4.517 1.00 0.64 H new ATOM 0 HG21 VAL A 45 -8.981 -0.186 -2.566 1.00 0.70 H new ATOM 0 HG22 VAL A 45 -7.527 -0.935 -3.268 1.00 0.70 H new ATOM 0 HG23 VAL A 45 -7.744 -0.896 -1.502 1.00 0.70 H new ATOM 675 N VAL A 46 -4.305 1.772 -3.804 1.00 0.29 N ATOM 676 CA VAL A 46 -3.362 2.731 -4.336 1.00 0.22 C ATOM 677 C VAL A 46 -3.821 3.084 -5.748 1.00 0.19 C ATOM 678 O VAL A 46 -3.865 2.215 -6.616 1.00 0.28 O ATOM 679 CB VAL A 46 -1.956 2.115 -4.307 1.00 0.30 C ATOM 680 CG1 VAL A 46 -0.972 2.975 -5.099 1.00 0.38 C ATOM 681 CG2 VAL A 46 -1.478 1.984 -2.856 1.00 0.31 C ATOM 0 H VAL A 46 -4.601 1.083 -4.495 1.00 0.29 H new ATOM 0 HA VAL A 46 -3.321 3.646 -3.745 1.00 0.22 H new ATOM 0 HB VAL A 46 -2.001 1.128 -4.767 1.00 0.30 H new ATOM 0 HG11 VAL A 46 0.018 2.520 -5.065 1.00 0.38 H new ATOM 0 HG12 VAL A 46 -1.303 3.047 -6.135 1.00 0.38 H new ATOM 0 HG13 VAL A 46 -0.928 3.973 -4.663 1.00 0.38 H new ATOM 0 HG21 VAL A 46 -0.480 1.546 -2.840 1.00 0.31 H new ATOM 0 HG22 VAL A 46 -1.450 2.970 -2.392 1.00 0.31 H new ATOM 0 HG23 VAL A 46 -2.164 1.342 -2.303 1.00 0.31 H new ATOM 691 N ASP A 47 -4.149 4.357 -5.962 1.00 0.20 N ATOM 692 CA ASP A 47 -4.507 4.926 -7.247 1.00 0.21 C ATOM 693 C ASP A 47 -3.244 5.610 -7.785 1.00 0.23 C ATOM 694 O ASP A 47 -2.743 6.586 -7.210 1.00 0.30 O ATOM 695 CB ASP A 47 -5.720 5.857 -7.085 1.00 0.32 C ATOM 696 CG ASP A 47 -7.047 5.122 -7.267 1.00 1.06 C ATOM 697 OD1 ASP A 47 -7.373 4.834 -8.438 1.00 2.08 O ATOM 698 OD2 ASP A 47 -7.723 4.852 -6.244 1.00 2.06 O ATOM 0 H ASP A 47 -4.172 5.044 -5.208 1.00 0.20 H new ATOM 0 HA ASP A 47 -4.826 4.179 -7.973 1.00 0.21 H new ATOM 0 HB2 ASP A 47 -5.694 6.314 -6.096 1.00 0.32 H new ATOM 0 HB3 ASP A 47 -5.653 6.666 -7.812 1.00 0.32 H new ATOM 703 N ALA A 48 -2.669 5.008 -8.832 1.00 0.30 N ATOM 704 CA ALA A 48 -1.359 5.355 -9.358 1.00 0.41 C ATOM 705 C ALA A 48 -1.362 5.186 -10.869 1.00 0.55 C ATOM 706 O ALA A 48 -1.671 4.106 -11.376 1.00 0.92 O ATOM 707 CB ALA A 48 -0.292 4.447 -8.743 1.00 0.51 C ATOM 0 H ALA A 48 -3.118 4.249 -9.344 1.00 0.30 H new ATOM 0 HA ALA A 48 -1.133 6.391 -9.105 1.00 0.41 H new ATOM 0 HB1 ALA A 48 0.687 4.713 -9.142 1.00 0.51 H new ATOM 0 HB2 ALA A 48 -0.288 4.572 -7.660 1.00 0.51 H new ATOM 0 HB3 ALA A 48 -0.513 3.408 -8.988 1.00 0.51 H new ATOM 713 N ASP A 49 -0.990 6.234 -11.598 1.00 0.39 N ATOM 714 CA ASP A 49 -1.180 6.273 -13.040 1.00 0.47 C ATOM 715 C ASP A 49 0.035 5.654 -13.738 1.00 0.42 C ATOM 716 O ASP A 49 0.683 6.294 -14.562 1.00 0.53 O ATOM 717 CB ASP A 49 -1.468 7.718 -13.478 1.00 0.61 C ATOM 718 CG ASP A 49 -2.861 8.201 -13.086 1.00 0.89 C ATOM 719 OD1 ASP A 49 -3.390 7.691 -12.070 1.00 2.38 O ATOM 720 OD2 ASP A 49 -3.392 9.059 -13.821 1.00 1.40 O ATOM 0 H ASP A 49 -0.553 7.070 -11.209 1.00 0.39 H new ATOM 0 HA ASP A 49 -2.043 5.676 -13.334 1.00 0.47 H new ATOM 0 HB2 ASP A 49 -0.724 8.380 -13.035 1.00 0.61 H new ATOM 0 HB3 ASP A 49 -1.357 7.791 -14.560 1.00 0.61 H new ATOM 725 N ASN A 50 0.323 4.389 -13.406 1.00 0.39 N ATOM 726 CA ASN A 50 1.416 3.565 -13.930 1.00 0.44 C ATOM 727 C ASN A 50 1.424 2.235 -13.175 1.00 0.57 C ATOM 728 O ASN A 50 0.661 2.080 -12.221 1.00 1.63 O ATOM 729 CB ASN A 50 2.797 4.244 -13.815 1.00 0.45 C ATOM 730 CG ASN A 50 3.335 4.405 -12.392 1.00 0.61 C ATOM 731 OD1 ASN A 50 2.514 4.244 -11.355 1.00 1.48 O flip ATOM 732 ND2 ASN A 50 4.515 4.684 -12.213 1.00 0.65 N flip ATOM 0 H ASN A 50 -0.238 3.883 -12.721 1.00 0.39 H new ATOM 0 HA ASN A 50 1.238 3.413 -14.995 1.00 0.44 H new ATOM 0 HB2 ASN A 50 3.517 3.665 -14.393 1.00 0.45 H new ATOM 0 HB3 ASN A 50 2.737 5.230 -14.276 1.00 0.45 H new ATOM 0 HD21 ASN A 50 5.137 4.806 -13.012 1.00 0.65 H new ATOM 0 HD22 ASN A 50 4.875 4.795 -11.265 1.00 0.65 H new ATOM 739 N ASP A 51 2.291 1.303 -13.560 1.00 1.03 N ATOM 740 CA ASP A 51 2.505 0.018 -12.913 1.00 1.07 C ATOM 741 C ASP A 51 3.556 0.148 -11.805 1.00 0.75 C ATOM 742 O ASP A 51 4.744 0.287 -12.081 1.00 0.92 O ATOM 743 CB ASP A 51 2.935 -1.007 -13.979 1.00 1.56 C ATOM 744 CG ASP A 51 4.152 -0.575 -14.797 1.00 3.66 C ATOM 745 OD1 ASP A 51 4.111 0.569 -15.308 1.00 4.89 O ATOM 746 OD2 ASP A 51 5.075 -1.409 -14.927 1.00 4.65 O ATOM 0 H ASP A 51 2.893 1.433 -14.373 1.00 1.03 H new ATOM 0 HA ASP A 51 1.582 -0.324 -12.445 1.00 1.07 H new ATOM 0 HB2 ASP A 51 3.157 -1.955 -13.489 1.00 1.56 H new ATOM 0 HB3 ASP A 51 2.099 -1.185 -14.656 1.00 1.56 H new ATOM 751 N ILE A 52 3.135 0.090 -10.535 1.00 0.46 N ATOM 752 CA ILE A 52 4.057 0.116 -9.394 1.00 0.32 C ATOM 753 C ILE A 52 3.700 -0.920 -8.323 1.00 0.27 C ATOM 754 O ILE A 52 4.155 -0.808 -7.191 1.00 0.31 O ATOM 755 CB ILE A 52 4.171 1.542 -8.805 1.00 0.37 C ATOM 756 CG1 ILE A 52 2.825 2.232 -8.520 1.00 0.42 C ATOM 757 CG2 ILE A 52 5.012 2.437 -9.722 1.00 0.54 C ATOM 758 CD1 ILE A 52 1.934 1.456 -7.547 1.00 0.61 C ATOM 0 H ILE A 52 2.152 0.024 -10.271 1.00 0.46 H new ATOM 0 HA ILE A 52 5.040 -0.168 -9.771 1.00 0.32 H new ATOM 0 HB ILE A 52 4.657 1.408 -7.839 1.00 0.37 H new ATOM 0 HG12 ILE A 52 3.014 3.225 -8.113 1.00 0.42 H new ATOM 0 HG13 ILE A 52 2.290 2.369 -9.460 1.00 0.42 H new ATOM 0 HG21 ILE A 52 5.081 3.436 -9.292 1.00 0.54 H new ATOM 0 HG22 ILE A 52 6.012 2.016 -9.824 1.00 0.54 H new ATOM 0 HG23 ILE A 52 4.542 2.497 -10.703 1.00 0.54 H new ATOM 0 HD11 ILE A 52 1.003 2.001 -7.393 1.00 0.61 H new ATOM 0 HD12 ILE A 52 1.714 0.472 -7.961 1.00 0.61 H new ATOM 0 HD13 ILE A 52 2.450 1.342 -6.594 1.00 0.61 H new ATOM 770 N ARG A 53 2.917 -1.952 -8.643 1.00 0.28 N ATOM 771 CA ARG A 53 2.385 -2.855 -7.613 1.00 0.34 C ATOM 772 C ARG A 53 3.513 -3.583 -6.905 1.00 0.30 C ATOM 773 O ARG A 53 3.575 -3.585 -5.679 1.00 0.33 O ATOM 774 CB ARG A 53 1.374 -3.869 -8.161 1.00 0.42 C ATOM 775 CG ARG A 53 0.339 -3.122 -8.989 1.00 0.51 C ATOM 776 CD ARG A 53 -0.841 -3.943 -9.515 1.00 0.72 C ATOM 777 NE ARG A 53 -0.670 -5.403 -9.399 1.00 0.78 N ATOM 778 CZ ARG A 53 -1.372 -6.138 -8.524 1.00 1.70 C ATOM 779 NH1 ARG A 53 -1.901 -5.528 -7.461 1.00 3.48 N ATOM 780 NH2 ARG A 53 -1.533 -7.451 -8.703 1.00 1.97 N ATOM 0 H ARG A 53 2.638 -2.184 -9.596 1.00 0.28 H new ATOM 0 HA ARG A 53 1.850 -2.224 -6.903 1.00 0.34 H new ATOM 0 HB2 ARG A 53 1.880 -4.616 -8.772 1.00 0.42 H new ATOM 0 HB3 ARG A 53 0.891 -4.402 -7.342 1.00 0.42 H new ATOM 0 HG2 ARG A 53 -0.057 -2.306 -8.384 1.00 0.51 H new ATOM 0 HG3 ARG A 53 0.846 -2.670 -9.841 1.00 0.51 H new ATOM 0 HD2 ARG A 53 -1.741 -3.651 -8.973 1.00 0.72 H new ATOM 0 HD3 ARG A 53 -1.004 -3.691 -10.563 1.00 0.72 H new ATOM 0 HE ARG A 53 0.005 -5.870 -10.005 1.00 0.78 H new ATOM 0 HH11 ARG A 53 -1.767 -4.525 -7.329 1.00 3.48 H new ATOM 0 HH12 ARG A 53 -2.439 -6.064 -6.781 1.00 3.48 H new ATOM 0 HH21 ARG A 53 -1.119 -7.910 -9.515 1.00 1.97 H new ATOM 0 HH22 ARG A 53 -2.070 -7.996 -8.028 1.00 1.97 H new ATOM 794 N ALA A 54 4.425 -4.146 -7.698 1.00 0.27 N ATOM 795 CA ALA A 54 5.653 -4.746 -7.207 1.00 0.26 C ATOM 796 C ALA A 54 6.454 -3.741 -6.380 1.00 0.24 C ATOM 797 O ALA A 54 7.146 -4.120 -5.437 1.00 0.25 O ATOM 798 CB ALA A 54 6.487 -5.221 -8.399 1.00 0.28 C ATOM 0 H ALA A 54 4.325 -4.196 -8.712 1.00 0.27 H new ATOM 0 HA ALA A 54 5.404 -5.592 -6.566 1.00 0.26 H new ATOM 0 HB1 ALA A 54 7.411 -5.673 -8.039 1.00 0.28 H new ATOM 0 HB2 ALA A 54 5.921 -5.958 -8.969 1.00 0.28 H new ATOM 0 HB3 ALA A 54 6.724 -4.371 -9.039 1.00 0.28 H new ATOM 804 N GLN A 55 6.381 -2.455 -6.738 1.00 0.23 N ATOM 805 CA GLN A 55 7.185 -1.438 -6.086 1.00 0.24 C ATOM 806 C GLN A 55 6.594 -1.135 -4.717 1.00 0.22 C ATOM 807 O GLN A 55 7.308 -1.104 -3.713 1.00 0.26 O ATOM 808 CB GLN A 55 7.332 -0.208 -6.997 1.00 0.28 C ATOM 809 CG GLN A 55 8.652 0.539 -6.747 1.00 0.43 C ATOM 810 CD GLN A 55 8.861 1.699 -7.721 1.00 1.28 C ATOM 811 OE1 GLN A 55 9.091 2.830 -7.311 1.00 2.79 O ATOM 812 NE2 GLN A 55 8.796 1.440 -9.024 1.00 0.88 N ATOM 0 H GLN A 55 5.771 -2.102 -7.476 1.00 0.23 H new ATOM 0 HA GLN A 55 8.200 -1.796 -5.916 1.00 0.24 H new ATOM 0 HB2 GLN A 55 7.285 -0.521 -8.040 1.00 0.28 H new ATOM 0 HB3 GLN A 55 6.495 0.469 -6.829 1.00 0.28 H new ATOM 0 HG2 GLN A 55 8.663 0.920 -5.726 1.00 0.43 H new ATOM 0 HG3 GLN A 55 9.484 -0.160 -6.835 1.00 0.43 H new ATOM 0 HE21 GLN A 55 8.603 0.492 -9.346 1.00 0.88 H new ATOM 0 HE22 GLN A 55 8.939 2.190 -9.701 1.00 0.88 H new ATOM 821 N VAL A 56 5.274 -0.967 -4.671 1.00 0.20 N ATOM 822 CA VAL A 56 4.590 -0.709 -3.430 1.00 0.17 C ATOM 823 C VAL A 56 4.709 -1.936 -2.528 1.00 0.20 C ATOM 824 O VAL A 56 5.046 -1.806 -1.353 1.00 0.28 O ATOM 825 CB VAL A 56 3.153 -0.301 -3.719 1.00 0.22 C ATOM 826 CG1 VAL A 56 2.366 -0.343 -2.412 1.00 0.36 C ATOM 827 CG2 VAL A 56 3.169 1.149 -4.212 1.00 0.43 C ATOM 0 H VAL A 56 4.665 -1.007 -5.488 1.00 0.20 H new ATOM 0 HA VAL A 56 5.046 0.123 -2.893 1.00 0.17 H new ATOM 0 HB VAL A 56 2.705 -0.965 -4.458 1.00 0.22 H new ATOM 0 HG11 VAL A 56 1.332 -0.053 -2.600 1.00 0.36 H new ATOM 0 HG12 VAL A 56 2.391 -1.354 -2.005 1.00 0.36 H new ATOM 0 HG13 VAL A 56 2.812 0.348 -1.696 1.00 0.36 H new ATOM 0 HG21 VAL A 56 2.150 1.471 -4.428 1.00 0.43 H new ATOM 0 HG22 VAL A 56 3.597 1.791 -3.442 1.00 0.43 H new ATOM 0 HG23 VAL A 56 3.771 1.219 -5.118 1.00 0.43 H new ATOM 837 N GLU A 57 4.462 -3.130 -3.076 1.00 0.20 N ATOM 838 CA GLU A 57 4.742 -4.368 -2.373 1.00 0.18 C ATOM 839 C GLU A 57 6.145 -4.352 -1.800 1.00 0.18 C ATOM 840 O GLU A 57 6.262 -4.422 -0.589 1.00 0.23 O ATOM 841 CB GLU A 57 4.508 -5.579 -3.268 1.00 0.24 C ATOM 842 CG GLU A 57 5.087 -6.874 -2.685 1.00 0.33 C ATOM 843 CD GLU A 57 4.546 -8.122 -3.372 1.00 1.26 C ATOM 844 OE1 GLU A 57 3.967 -7.965 -4.468 1.00 2.45 O ATOM 845 OE2 GLU A 57 4.717 -9.204 -2.768 1.00 2.35 O ATOM 0 H GLU A 57 4.067 -3.256 -4.008 1.00 0.20 H new ATOM 0 HA GLU A 57 4.045 -4.451 -1.539 1.00 0.18 H new ATOM 0 HB2 GLU A 57 3.437 -5.705 -3.427 1.00 0.24 H new ATOM 0 HB3 GLU A 57 4.956 -5.394 -4.245 1.00 0.24 H new ATOM 0 HG2 GLU A 57 6.173 -6.855 -2.777 1.00 0.33 H new ATOM 0 HG3 GLU A 57 4.858 -6.922 -1.620 1.00 0.33 H new ATOM 852 N SER A 58 7.193 -4.229 -2.617 1.00 0.18 N ATOM 853 CA SER A 58 8.568 -4.205 -2.125 1.00 0.21 C ATOM 854 C SER A 58 8.700 -3.253 -0.928 1.00 0.22 C ATOM 855 O SER A 58 9.226 -3.614 0.124 1.00 0.28 O ATOM 856 CB SER A 58 9.512 -3.821 -3.272 1.00 0.25 C ATOM 857 OG SER A 58 10.859 -3.862 -2.841 1.00 0.55 O ATOM 0 H SER A 58 7.112 -4.144 -3.630 1.00 0.18 H new ATOM 0 HA SER A 58 8.847 -5.197 -1.771 1.00 0.21 H new ATOM 0 HB2 SER A 58 9.371 -4.503 -4.110 1.00 0.25 H new ATOM 0 HB3 SER A 58 9.269 -2.821 -3.631 1.00 0.25 H new ATOM 0 HG SER A 58 11.448 -3.616 -3.585 1.00 0.55 H new ATOM 863 N ALA A 59 8.156 -2.044 -1.069 1.00 0.21 N ATOM 864 CA ALA A 59 8.161 -1.034 -0.026 1.00 0.24 C ATOM 865 C ALA A 59 7.475 -1.513 1.257 1.00 0.23 C ATOM 866 O ALA A 59 8.013 -1.322 2.348 1.00 0.30 O ATOM 867 CB ALA A 59 7.488 0.231 -0.546 1.00 0.27 C ATOM 0 H ALA A 59 7.694 -1.740 -1.926 1.00 0.21 H new ATOM 0 HA ALA A 59 9.199 -0.826 0.232 1.00 0.24 H new ATOM 0 HB1 ALA A 59 7.490 0.992 0.235 1.00 0.27 H new ATOM 0 HB2 ALA A 59 8.032 0.602 -1.415 1.00 0.27 H new ATOM 0 HB3 ALA A 59 6.460 0.006 -0.830 1.00 0.27 H new ATOM 873 N LEU A 60 6.283 -2.093 1.151 1.00 0.21 N ATOM 874 CA LEU A 60 5.500 -2.548 2.290 1.00 0.21 C ATOM 875 C LEU A 60 6.170 -3.754 2.936 1.00 0.22 C ATOM 876 O LEU A 60 6.326 -3.822 4.153 1.00 0.23 O ATOM 877 CB LEU A 60 4.088 -2.892 1.803 1.00 0.21 C ATOM 878 CG LEU A 60 3.294 -1.630 1.486 1.00 0.37 C ATOM 879 CD1 LEU A 60 2.162 -1.927 0.509 1.00 1.01 C ATOM 880 CD2 LEU A 60 2.707 -1.017 2.755 1.00 0.91 C ATOM 0 H LEU A 60 5.828 -2.262 0.254 1.00 0.21 H new ATOM 0 HA LEU A 60 5.437 -1.764 3.044 1.00 0.21 H new ATOM 0 HB2 LEU A 60 4.149 -3.520 0.914 1.00 0.21 H new ATOM 0 HB3 LEU A 60 3.568 -3.471 2.566 1.00 0.21 H new ATOM 0 HG LEU A 60 3.986 -0.921 1.031 1.00 0.37 H new ATOM 0 HD11 LEU A 60 1.612 -1.010 0.300 1.00 1.01 H new ATOM 0 HD12 LEU A 60 2.576 -2.321 -0.419 1.00 1.01 H new ATOM 0 HD13 LEU A 60 1.487 -2.663 0.947 1.00 1.01 H new ATOM 0 HD21 LEU A 60 2.146 -0.118 2.499 1.00 0.91 H new ATOM 0 HD22 LEU A 60 2.042 -1.736 3.233 1.00 0.91 H new ATOM 0 HD23 LEU A 60 3.514 -0.758 3.441 1.00 0.91 H new ATOM 892 N GLN A 61 6.610 -4.690 2.104 1.00 0.24 N ATOM 893 CA GLN A 61 7.354 -5.858 2.546 1.00 0.32 C ATOM 894 C GLN A 61 8.557 -5.398 3.367 1.00 0.34 C ATOM 895 O GLN A 61 8.674 -5.758 4.537 1.00 0.39 O ATOM 896 CB GLN A 61 7.733 -6.752 1.349 1.00 0.40 C ATOM 897 CG GLN A 61 7.156 -8.171 1.476 1.00 0.55 C ATOM 898 CD GLN A 61 6.953 -8.809 0.104 1.00 0.98 C ATOM 899 OE1 GLN A 61 7.917 -9.113 -0.591 1.00 2.27 O ATOM 900 NE2 GLN A 61 5.697 -8.990 -0.293 1.00 0.73 N ATOM 0 H GLN A 61 6.458 -4.657 1.096 1.00 0.24 H new ATOM 0 HA GLN A 61 6.734 -6.481 3.191 1.00 0.32 H new ATOM 0 HB2 GLN A 61 7.370 -6.296 0.428 1.00 0.40 H new ATOM 0 HB3 GLN A 61 8.819 -6.809 1.270 1.00 0.40 H new ATOM 0 HG2 GLN A 61 7.829 -8.788 2.071 1.00 0.55 H new ATOM 0 HG3 GLN A 61 6.205 -8.134 2.007 1.00 0.55 H new ATOM 0 HE21 GLN A 61 4.925 -8.722 0.318 1.00 0.73 H new ATOM 0 HE22 GLN A 61 5.505 -9.396 -1.209 1.00 0.73 H new ATOM 909 N LYS A 62 9.410 -4.535 2.802 1.00 0.34 N ATOM 910 CA LYS A 62 10.600 -4.081 3.517 1.00 0.42 C ATOM 911 C LYS A 62 10.251 -3.127 4.670 1.00 0.38 C ATOM 912 O LYS A 62 11.061 -2.932 5.571 1.00 0.63 O ATOM 913 CB LYS A 62 11.660 -3.534 2.546 1.00 0.77 C ATOM 914 CG LYS A 62 11.315 -2.165 1.952 1.00 1.85 C ATOM 915 CD LYS A 62 11.950 -1.013 2.750 1.00 1.90 C ATOM 916 CE LYS A 62 11.190 0.307 2.559 1.00 3.93 C ATOM 917 NZ LYS A 62 9.912 0.316 3.296 1.00 5.31 N ATOM 0 H LYS A 62 9.298 -4.144 1.866 1.00 0.34 H new ATOM 0 HA LYS A 62 11.058 -4.945 3.998 1.00 0.42 H new ATOM 0 HB2 LYS A 62 12.614 -3.462 3.069 1.00 0.77 H new ATOM 0 HB3 LYS A 62 11.796 -4.247 1.733 1.00 0.77 H new ATOM 0 HG2 LYS A 62 11.658 -2.122 0.918 1.00 1.85 H new ATOM 0 HG3 LYS A 62 10.232 -2.040 1.934 1.00 1.85 H new ATOM 0 HD2 LYS A 62 11.967 -1.272 3.809 1.00 1.90 H new ATOM 0 HD3 LYS A 62 12.986 -0.883 2.437 1.00 1.90 H new ATOM 0 HE2 LYS A 62 11.811 1.136 2.898 1.00 3.93 H new ATOM 0 HE3 LYS A 62 10.999 0.466 1.498 1.00 3.93 H new ATOM 0 HZ1 LYS A 62 9.494 1.267 3.254 1.00 5.31 H new ATOM 0 HZ2 LYS A 62 9.258 -0.369 2.866 1.00 5.31 H new ATOM 0 HZ3 LYS A 62 10.082 0.056 4.289 1.00 5.31 H new ATOM 931 N ALA A 63 9.060 -2.510 4.660 1.00 0.35 N ATOM 932 CA ALA A 63 8.545 -1.803 5.831 1.00 0.37 C ATOM 933 C ALA A 63 8.236 -2.764 6.985 1.00 0.39 C ATOM 934 O ALA A 63 8.152 -2.318 8.127 1.00 0.47 O ATOM 935 CB ALA A 63 7.309 -0.972 5.473 1.00 0.36 C ATOM 0 H ALA A 63 8.439 -2.489 3.851 1.00 0.35 H new ATOM 0 HA ALA A 63 9.329 -1.125 6.168 1.00 0.37 H new ATOM 0 HB1 ALA A 63 6.947 -0.457 6.363 1.00 0.36 H new ATOM 0 HB2 ALA A 63 7.572 -0.239 4.711 1.00 0.36 H new ATOM 0 HB3 ALA A 63 6.527 -1.629 5.091 1.00 0.36 H new ATOM 941 N GLY A 64 8.070 -4.060 6.699 1.00 0.57 N ATOM 942 CA GLY A 64 7.874 -5.096 7.699 1.00 0.55 C ATOM 943 C GLY A 64 6.409 -5.510 7.767 1.00 0.51 C ATOM 944 O GLY A 64 5.831 -5.558 8.850 1.00 0.57 O ATOM 0 H GLY A 64 8.069 -4.417 5.744 1.00 0.57 H new ATOM 0 HA2 GLY A 64 8.491 -5.962 7.458 1.00 0.55 H new ATOM 0 HA3 GLY A 64 8.200 -4.734 8.674 1.00 0.55 H new ATOM 948 N TYR A 65 5.820 -5.834 6.614 1.00 0.53 N ATOM 949 CA TYR A 65 4.486 -6.412 6.519 1.00 0.57 C ATOM 950 C TYR A 65 4.532 -7.607 5.572 1.00 0.67 C ATOM 951 O TYR A 65 5.560 -7.884 4.954 1.00 1.30 O ATOM 952 CB TYR A 65 3.486 -5.364 6.008 1.00 0.61 C ATOM 953 CG TYR A 65 3.470 -4.062 6.785 1.00 0.59 C ATOM 954 CD1 TYR A 65 3.139 -4.061 8.153 1.00 1.94 C ATOM 955 CD2 TYR A 65 3.826 -2.857 6.152 1.00 1.86 C ATOM 956 CE1 TYR A 65 3.206 -2.868 8.893 1.00 1.95 C ATOM 957 CE2 TYR A 65 3.893 -1.664 6.892 1.00 1.91 C ATOM 958 CZ TYR A 65 3.605 -1.676 8.268 1.00 0.74 C ATOM 959 OH TYR A 65 3.718 -0.530 8.994 1.00 0.90 O ATOM 0 H TYR A 65 6.267 -5.698 5.707 1.00 0.53 H new ATOM 0 HA TYR A 65 4.159 -6.740 7.505 1.00 0.57 H new ATOM 0 HB2 TYR A 65 3.714 -5.145 4.965 1.00 0.61 H new ATOM 0 HB3 TYR A 65 2.486 -5.796 6.032 1.00 0.61 H new ATOM 0 HD1 TYR A 65 2.833 -4.978 8.635 1.00 1.94 H new ATOM 0 HD2 TYR A 65 4.048 -2.849 5.095 1.00 1.86 H new ATOM 0 HE1 TYR A 65 2.951 -2.868 9.942 1.00 1.95 H new ATOM 0 HE2 TYR A 65 4.165 -0.740 6.404 1.00 1.91 H new ATOM 0 HH TYR A 65 3.706 -0.746 9.950 1.00 0.90 H new ATOM 969 N SER A 66 3.403 -8.297 5.424 1.00 0.40 N ATOM 970 CA SER A 66 3.185 -9.268 4.369 1.00 0.37 C ATOM 971 C SER A 66 1.899 -8.875 3.655 1.00 0.33 C ATOM 972 O SER A 66 0.929 -8.493 4.315 1.00 0.52 O ATOM 973 CB SER A 66 3.094 -10.671 4.971 1.00 0.49 C ATOM 974 OG SER A 66 4.286 -10.960 5.676 1.00 1.68 O ATOM 0 H SER A 66 2.603 -8.191 6.048 1.00 0.40 H new ATOM 0 HA SER A 66 4.009 -9.279 3.656 1.00 0.37 H new ATOM 0 HB2 SER A 66 2.237 -10.736 5.642 1.00 0.49 H new ATOM 0 HB3 SER A 66 2.938 -11.407 4.183 1.00 0.49 H new ATOM 0 HG SER A 66 4.227 -11.858 6.063 1.00 1.68 H new ATOM 980 N LEU A 67 1.905 -8.954 2.322 1.00 0.37 N ATOM 981 CA LEU A 67 0.742 -8.762 1.485 1.00 0.36 C ATOM 982 C LEU A 67 0.838 -9.710 0.302 1.00 0.39 C ATOM 983 O LEU A 67 1.853 -10.391 0.151 1.00 0.43 O ATOM 984 CB LEU A 67 0.639 -7.299 1.034 1.00 0.30 C ATOM 985 CG LEU A 67 1.822 -6.711 0.254 1.00 0.32 C ATOM 986 CD1 LEU A 67 1.950 -7.334 -1.135 1.00 0.77 C ATOM 987 CD2 LEU A 67 1.545 -5.208 0.189 1.00 0.77 C ATOM 0 H LEU A 67 2.750 -9.160 1.790 1.00 0.37 H new ATOM 0 HA LEU A 67 -0.166 -8.985 2.045 1.00 0.36 H new ATOM 0 HB2 LEU A 67 -0.253 -7.200 0.416 1.00 0.30 H new ATOM 0 HB3 LEU A 67 0.482 -6.684 1.921 1.00 0.30 H new ATOM 0 HG LEU A 67 2.775 -6.921 0.740 1.00 0.32 H new ATOM 0 HD11 LEU A 67 2.799 -6.891 -1.656 1.00 0.77 H new ATOM 0 HD12 LEU A 67 2.104 -8.409 -1.039 1.00 0.77 H new ATOM 0 HD13 LEU A 67 1.039 -7.147 -1.703 1.00 0.77 H new ATOM 0 HD21 LEU A 67 2.349 -4.713 -0.356 1.00 0.77 H new ATOM 0 HD22 LEU A 67 0.599 -5.034 -0.324 1.00 0.77 H new ATOM 0 HD23 LEU A 67 1.489 -4.804 1.200 1.00 0.77 H new ATOM 999 N ARG A 68 -0.198 -9.724 -0.539 1.00 0.49 N ATOM 1000 CA ARG A 68 -0.157 -10.262 -1.886 1.00 0.66 C ATOM 1001 C ARG A 68 -0.810 -9.211 -2.783 1.00 0.70 C ATOM 1002 O ARG A 68 -1.633 -8.428 -2.297 1.00 1.05 O ATOM 1003 CB ARG A 68 -0.890 -11.607 -1.959 1.00 0.93 C ATOM 1004 CG ARG A 68 -0.589 -12.491 -0.735 1.00 0.77 C ATOM 1005 CD ARG A 68 -0.616 -14.006 -1.002 1.00 1.38 C ATOM 1006 NE ARG A 68 0.627 -14.651 -0.535 1.00 1.97 N ATOM 1007 CZ ARG A 68 1.835 -14.517 -1.114 1.00 3.33 C ATOM 1008 NH1 ARG A 68 1.956 -13.809 -2.242 1.00 4.41 N ATOM 1009 NH2 ARG A 68 2.914 -15.084 -0.560 1.00 4.10 N ATOM 0 H ARG A 68 -1.112 -9.348 -0.287 1.00 0.49 H new ATOM 0 HA ARG A 68 0.865 -10.461 -2.208 1.00 0.66 H new ATOM 0 HB2 ARG A 68 -1.964 -11.432 -2.026 1.00 0.93 H new ATOM 0 HB3 ARG A 68 -0.596 -12.132 -2.868 1.00 0.93 H new ATOM 0 HG2 ARG A 68 0.394 -12.224 -0.346 1.00 0.77 H new ATOM 0 HG3 ARG A 68 -1.314 -12.262 0.046 1.00 0.77 H new ATOM 0 HD2 ARG A 68 -1.473 -14.452 -0.497 1.00 1.38 H new ATOM 0 HD3 ARG A 68 -0.745 -14.188 -2.069 1.00 1.38 H new ATOM 0 HE ARG A 68 0.566 -15.245 0.292 1.00 1.97 H new ATOM 0 HH11 ARG A 68 1.135 -13.373 -2.661 1.00 4.41 H new ATOM 0 HH12 ARG A 68 2.870 -13.705 -2.684 1.00 4.41 H new ATOM 0 HH21 ARG A 68 2.822 -15.619 0.303 1.00 4.10 H new ATOM 0 HH22 ARG A 68 3.828 -14.981 -1.001 1.00 4.10 H new ATOM 1023 N ASP A 69 -0.419 -9.154 -4.055 1.00 0.64 N ATOM 1024 CA ASP A 69 -0.763 -8.080 -4.964 1.00 0.68 C ATOM 1025 C ASP A 69 -2.159 -8.278 -5.546 1.00 0.83 C ATOM 1026 O ASP A 69 -2.340 -8.871 -6.608 1.00 1.55 O ATOM 1027 CB ASP A 69 0.307 -7.984 -6.054 1.00 0.90 C ATOM 1028 CG ASP A 69 0.437 -9.231 -6.922 1.00 1.48 C ATOM 1029 OD1 ASP A 69 0.543 -10.324 -6.321 1.00 2.53 O ATOM 1030 OD2 ASP A 69 0.403 -9.048 -8.164 1.00 2.37 O ATOM 0 H ASP A 69 0.160 -9.875 -4.485 1.00 0.64 H new ATOM 0 HA ASP A 69 -0.788 -7.136 -4.420 1.00 0.68 H new ATOM 0 HB2 ASP A 69 0.080 -7.132 -6.695 1.00 0.90 H new ATOM 0 HB3 ASP A 69 1.269 -7.781 -5.584 1.00 0.90 H new ATOM 1035 N GLU A 70 -3.175 -7.731 -4.888 1.00 0.47 N ATOM 1036 CA GLU A 70 -4.539 -7.993 -5.306 1.00 0.49 C ATOM 1037 C GLU A 70 -4.889 -7.386 -6.663 1.00 0.60 C ATOM 1038 O GLU A 70 -4.275 -6.432 -7.126 1.00 0.94 O ATOM 1039 CB GLU A 70 -5.572 -7.576 -4.252 1.00 0.53 C ATOM 1040 CG GLU A 70 -6.092 -8.796 -3.497 1.00 0.57 C ATOM 1041 CD GLU A 70 -7.114 -9.604 -4.279 1.00 1.48 C ATOM 1042 OE1 GLU A 70 -7.043 -9.608 -5.523 1.00 2.44 O ATOM 1043 OE2 GLU A 70 -7.894 -10.275 -3.571 1.00 2.60 O ATOM 0 H GLU A 70 -3.080 -7.116 -4.080 1.00 0.47 H new ATOM 0 HA GLU A 70 -4.587 -9.076 -5.417 1.00 0.49 H new ATOM 0 HB2 GLU A 70 -5.121 -6.873 -3.551 1.00 0.53 H new ATOM 0 HB3 GLU A 70 -6.402 -7.059 -4.733 1.00 0.53 H new ATOM 0 HG2 GLU A 70 -5.251 -9.440 -3.241 1.00 0.57 H new ATOM 0 HG3 GLU A 70 -6.540 -8.469 -2.559 1.00 0.57 H new ATOM 1050 N GLN A 71 -5.909 -7.950 -7.290 1.00 0.52 N ATOM 1051 CA GLN A 71 -6.563 -7.415 -8.475 1.00 0.55 C ATOM 1052 C GLN A 71 -7.034 -5.969 -8.285 1.00 0.76 C ATOM 1053 O GLN A 71 -7.061 -5.428 -7.176 1.00 0.88 O ATOM 1054 CB GLN A 71 -7.697 -8.360 -8.903 1.00 0.65 C ATOM 1055 CG GLN A 71 -7.203 -9.746 -9.347 1.00 2.52 C ATOM 1056 CD GLN A 71 -6.433 -9.707 -10.667 1.00 4.28 C ATOM 1057 OE1 GLN A 71 -5.187 -9.239 -10.644 1.00 4.72 O flip ATOM 1058 NE2 GLN A 71 -6.939 -10.112 -11.706 1.00 5.79 N flip ATOM 0 H GLN A 71 -6.321 -8.828 -6.975 1.00 0.52 H new ATOM 0 HA GLN A 71 -5.833 -7.367 -9.283 1.00 0.55 H new ATOM 0 HB2 GLN A 71 -8.393 -8.480 -8.073 1.00 0.65 H new ATOM 0 HB3 GLN A 71 -8.253 -7.901 -9.721 1.00 0.65 H new ATOM 0 HG2 GLN A 71 -6.562 -10.164 -8.570 1.00 2.52 H new ATOM 0 HG3 GLN A 71 -8.057 -10.415 -9.450 1.00 2.52 H new ATOM 0 HE21 GLN A 71 -7.895 -10.467 -11.703 1.00 5.79 H new ATOM 0 HE22 GLN A 71 -6.404 -10.094 -12.574 1.00 5.79 H new ATOM 1067 N ALA A 72 -7.365 -5.308 -9.393 1.00 0.99 N ATOM 1068 CA ALA A 72 -7.587 -3.875 -9.455 1.00 1.12 C ATOM 1069 C ALA A 72 -9.044 -3.604 -9.108 1.00 1.25 C ATOM 1070 O ALA A 72 -9.806 -3.080 -9.916 1.00 2.38 O ATOM 1071 CB ALA A 72 -7.229 -3.396 -10.862 1.00 1.14 C ATOM 0 H ALA A 72 -7.488 -5.772 -10.293 1.00 0.99 H new ATOM 0 HA ALA A 72 -6.963 -3.333 -8.744 1.00 1.12 H new ATOM 0 HB1 ALA A 72 -7.389 -2.320 -10.932 1.00 1.14 H new ATOM 0 HB2 ALA A 72 -6.183 -3.622 -11.068 1.00 1.14 H new ATOM 0 HB3 ALA A 72 -7.860 -3.904 -11.591 1.00 1.14 H new ATOM 1077 N ALA A 73 -9.439 -4.038 -7.909 1.00 1.76 N ATOM 1078 CA ALA A 73 -10.825 -4.200 -7.473 1.00 1.93 C ATOM 1079 C ALA A 73 -11.453 -5.455 -8.099 1.00 2.13 C ATOM 1080 O ALA A 73 -12.088 -6.234 -7.392 1.00 3.57 O ATOM 1081 CB ALA A 73 -11.658 -2.934 -7.723 1.00 2.16 C ATOM 0 H ALA A 73 -8.770 -4.297 -7.184 1.00 1.76 H new ATOM 0 HA ALA A 73 -10.821 -4.347 -6.393 1.00 1.93 H new ATOM 0 HB1 ALA A 73 -12.681 -3.099 -7.384 1.00 2.16 H new ATOM 0 HB2 ALA A 73 -11.224 -2.099 -7.174 1.00 2.16 H new ATOM 0 HB3 ALA A 73 -11.661 -2.705 -8.789 1.00 2.16 H new ATOM 1087 N GLU A 74 -11.241 -5.645 -9.403 1.00 1.90 N ATOM 1088 CA GLU A 74 -11.481 -6.842 -10.191 1.00 2.55 C ATOM 1089 C GLU A 74 -10.413 -6.768 -11.299 1.00 3.73 C ATOM 1090 O GLU A 74 -10.630 -7.344 -12.385 1.00 4.62 O ATOM 1091 CB GLU A 74 -12.941 -6.847 -10.705 1.00 3.13 C ATOM 1092 CG GLU A 74 -13.850 -7.864 -9.985 1.00 3.62 C ATOM 1093 CD GLU A 74 -14.048 -9.144 -10.792 1.00 4.96 C ATOM 1094 OE1 GLU A 74 -14.777 -9.061 -11.806 1.00 5.75 O ATOM 1095 OE2 GLU A 74 -13.506 -10.186 -10.365 1.00 5.86 O ATOM 1096 OXT GLU A 74 -9.377 -6.107 -11.034 1.00 4.59 O ATOM 0 H GLU A 74 -10.863 -4.894 -9.980 1.00 1.90 H new ATOM 0 HA GLU A 74 -11.389 -7.779 -9.642 1.00 2.55 H new ATOM 0 HB2 GLU A 74 -13.362 -5.849 -10.585 1.00 3.13 H new ATOM 0 HB3 GLU A 74 -12.940 -7.067 -11.773 1.00 3.13 H new ATOM 0 HG2 GLU A 74 -13.416 -8.112 -9.016 1.00 3.62 H new ATOM 0 HG3 GLU A 74 -14.820 -7.406 -9.792 1.00 3.62 H new TER 1103 GLU A 74