USER MOD reduce.3.24.130724 H: found=0, std=0, add=910, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 909 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 83 ASN :FLIP amide:sc=-0.00864 F(o=-1.3!,f=-0.0086) USER MOD Set 1.2: A 97 MET CE :methyl -138:sc= 0 (180deg=-0.134) USER MOD Set 2.1: A 33 THR OG1 : rot 161:sc= -0.125 USER MOD Set 2.2: A 43 LYS NZ :NH3+ 143:sc= 2.01 (180deg=1.04) USER MOD Set 3.1: A 9 THR OG1 : rot -130:sc= 0.772 USER MOD Set 3.2: A 11 SER OG : rot -72:sc= 0.99 USER MOD Set 3.3: A 53 THR OG1 : rot -66:sc= 0.428 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0763) USER MOD Single : A 5 HIS : no HE2:sc= 0.547 K(o=0.55,f=-2.5!) USER MOD Single : A 7 MET CE :methyl -163:sc= -0.102 (180deg=-0.517) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot -77:sc= -1.21 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.224 USER MOD Single : A 26 MET CE :methyl 141:sc= -0.0688 (180deg=-0.501) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.261 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= 1.43 K(o=1.4,f=-8.2!) USER MOD Single : A 62 THR OG1 : rot -90:sc= 0.563 USER MOD Single : A 64 ASN : amide:sc= 0.756 K(o=0.76,f=-0.11) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0558) USER MOD Single : A 70 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0184) USER MOD Single : A 80 LYS NZ :NH3+ -117:sc= 1.19 (180deg=0.729) USER MOD Single : A 92 LYS NZ :NH3+ -155:sc= 1.2 (180deg=-0.106) USER MOD Single : A 95 HIS : no HD1:sc= 0.628 K(o=0.63,f=-9!) USER MOD Single : A 100 SER OG : rot -106:sc= 1.42 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 HIS :FLIP no HD1:sc= -0.113 F(o=-2!,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.479 -5.252 31.517 1.00 40.50 N ATOM 2 CA MET A 1 7.537 -4.242 31.800 1.00 22.21 C ATOM 3 C MET A 1 7.927 -3.462 30.529 1.00 25.32 C ATOM 4 O MET A 1 7.754 -2.243 30.467 1.00 73.34 O ATOM 5 CB MET A 1 8.765 -4.938 32.407 1.00 55.32 C ATOM 6 CG MET A 1 9.851 -3.992 32.907 1.00 42.15 C ATOM 7 SD MET A 1 11.217 -4.879 33.686 1.00 70.34 S ATOM 8 CE MET A 1 12.243 -3.521 34.240 1.00 72.14 C ATOM 0 H1 MET A 1 6.240 -5.759 32.393 1.00 40.50 H new ATOM 0 H2 MET A 1 5.631 -4.773 31.151 1.00 40.50 H new ATOM 0 H3 MET A 1 6.827 -5.930 30.809 1.00 40.50 H new ATOM 0 HA MET A 1 7.142 -3.521 32.515 1.00 22.21 H new ATOM 0 HB2 MET A 1 8.438 -5.564 33.237 1.00 55.32 H new ATOM 0 HB3 MET A 1 9.197 -5.602 31.658 1.00 55.32 H new ATOM 0 HG2 MET A 1 10.231 -3.403 32.072 1.00 42.15 H new ATOM 0 HG3 MET A 1 9.420 -3.291 33.622 1.00 42.15 H new ATOM 0 HE1 MET A 1 13.127 -3.914 34.742 1.00 72.14 H new ATOM 0 HE2 MET A 1 12.549 -2.922 33.382 1.00 72.14 H new ATOM 0 HE3 MET A 1 11.679 -2.898 34.934 1.00 72.14 H new ATOM 20 N LYS A 2 8.447 -4.160 29.514 1.00 22.12 N ATOM 21 CA LYS A 2 8.853 -3.511 28.254 1.00 41.12 C ATOM 22 C LYS A 2 7.784 -3.662 27.154 1.00 34.43 C ATOM 23 O LYS A 2 7.371 -4.779 26.823 1.00 13.22 O ATOM 24 CB LYS A 2 10.181 -4.090 27.742 1.00 54.41 C ATOM 25 CG LYS A 2 11.370 -3.855 28.670 1.00 34.23 C ATOM 26 CD LYS A 2 12.688 -4.265 28.014 1.00 33.14 C ATOM 27 CE LYS A 2 12.706 -5.742 27.633 1.00 34.51 C ATOM 28 NZ LYS A 2 12.582 -6.625 28.821 1.00 52.13 N ATOM 0 H LYS A 2 8.598 -5.169 29.535 1.00 22.12 H new ATOM 0 HA LYS A 2 8.974 -2.451 28.477 1.00 41.12 H new ATOM 0 HB2 LYS A 2 10.061 -5.163 27.589 1.00 54.41 H new ATOM 0 HB3 LYS A 2 10.403 -3.652 26.769 1.00 54.41 H new ATOM 0 HG2 LYS A 2 11.413 -2.802 28.947 1.00 34.23 H new ATOM 0 HG3 LYS A 2 11.230 -4.421 29.591 1.00 34.23 H new ATOM 0 HD2 LYS A 2 12.852 -3.659 27.123 1.00 33.14 H new ATOM 0 HD3 LYS A 2 13.512 -4.057 28.697 1.00 33.14 H new ATOM 0 HE2 LYS A 2 11.889 -5.948 26.941 1.00 34.51 H new ATOM 0 HE3 LYS A 2 13.633 -5.970 27.107 1.00 34.51 H new ATOM 0 HZ1 LYS A 2 12.717 -7.615 28.533 1.00 52.13 H new ATOM 0 HZ2 LYS A 2 13.305 -6.367 29.523 1.00 52.13 H new ATOM 0 HZ3 LYS A 2 11.637 -6.512 29.240 1.00 52.13 H new ATOM 42 N PRO A 3 7.325 -2.539 26.565 1.00 71.55 N ATOM 43 CA PRO A 3 6.377 -2.565 25.438 1.00 43.02 C ATOM 44 C PRO A 3 7.006 -3.129 24.151 1.00 5.34 C ATOM 45 O PRO A 3 7.911 -2.525 23.568 1.00 55.03 O ATOM 46 CB PRO A 3 5.986 -1.083 25.251 1.00 52.52 C ATOM 47 CG PRO A 3 6.467 -0.388 26.485 1.00 14.33 C ATOM 48 CD PRO A 3 7.667 -1.161 26.950 1.00 75.52 C ATOM 0 HA PRO A 3 5.527 -3.215 25.642 1.00 43.02 H new ATOM 0 HB2 PRO A 3 6.449 -0.664 24.358 1.00 52.52 H new ATOM 0 HB3 PRO A 3 4.908 -0.973 25.133 1.00 52.52 H new ATOM 0 HG2 PRO A 3 6.728 0.649 26.273 1.00 14.33 H new ATOM 0 HG3 PRO A 3 5.692 -0.371 27.251 1.00 14.33 H new ATOM 0 HD2 PRO A 3 8.582 -0.820 26.466 1.00 75.52 H new ATOM 0 HD3 PRO A 3 7.820 -1.066 28.025 1.00 75.52 H new ATOM 56 N GLU A 4 6.536 -4.299 23.725 1.00 55.44 N ATOM 57 CA GLU A 4 6.999 -4.919 22.482 1.00 42.53 C ATOM 58 C GLU A 4 6.390 -4.226 21.259 1.00 54.30 C ATOM 59 O GLU A 4 5.175 -4.040 21.175 1.00 33.22 O ATOM 60 CB GLU A 4 6.663 -6.416 22.473 1.00 41.05 C ATOM 61 CG GLU A 4 7.527 -7.241 23.422 1.00 40.33 C ATOM 62 CD GLU A 4 8.981 -7.321 22.974 1.00 12.42 C ATOM 63 OE1 GLU A 4 9.760 -6.395 23.281 1.00 52.34 O ATOM 64 OE2 GLU A 4 9.347 -8.309 22.302 1.00 72.03 O ATOM 0 H GLU A 4 5.831 -4.841 24.224 1.00 55.44 H new ATOM 0 HA GLU A 4 8.082 -4.803 22.430 1.00 42.53 H new ATOM 0 HB2 GLU A 4 5.615 -6.546 22.743 1.00 41.05 H new ATOM 0 HB3 GLU A 4 6.781 -6.800 21.460 1.00 41.05 H new ATOM 0 HG2 GLU A 4 7.482 -6.805 24.420 1.00 40.33 H new ATOM 0 HG3 GLU A 4 7.118 -8.249 23.496 1.00 40.33 H new ATOM 71 N HIS A 5 7.242 -3.853 20.314 1.00 45.41 N ATOM 72 CA HIS A 5 6.813 -3.092 19.137 1.00 74.22 C ATOM 73 C HIS A 5 6.408 -3.995 17.960 1.00 22.14 C ATOM 74 O HIS A 5 6.857 -5.139 17.835 1.00 63.23 O ATOM 75 CB HIS A 5 7.920 -2.124 18.702 1.00 61.51 C ATOM 76 CG HIS A 5 8.181 -1.034 19.696 1.00 45.41 C ATOM 77 ND1 HIS A 5 7.719 0.255 19.537 1.00 34.23 N ATOM 78 CD2 HIS A 5 8.867 -1.041 20.866 1.00 15.04 C ATOM 79 CE1 HIS A 5 8.108 0.991 20.559 1.00 65.25 C ATOM 80 NE2 HIS A 5 8.803 0.229 21.378 1.00 62.11 N ATOM 0 H HIS A 5 8.240 -4.064 20.335 1.00 45.41 H new ATOM 0 HA HIS A 5 5.925 -2.530 19.428 1.00 74.22 H new ATOM 0 HB2 HIS A 5 8.840 -2.685 18.539 1.00 61.51 H new ATOM 0 HB3 HIS A 5 7.646 -1.676 17.746 1.00 61.51 H new ATOM 0 HD1 HIS A 5 7.162 0.588 18.750 1.00 34.23 H new ATOM 0 HD2 HIS A 5 9.369 -1.888 21.311 1.00 15.04 H new ATOM 0 HE1 HIS A 5 7.893 2.040 20.701 1.00 65.25 H new ATOM 89 N ARG A 6 5.553 -3.448 17.103 1.00 55.14 N ATOM 90 CA ARG A 6 5.073 -4.126 15.897 1.00 52.34 C ATOM 91 C ARG A 6 4.168 -3.182 15.098 1.00 71.23 C ATOM 92 O ARG A 6 4.528 -2.741 14.010 1.00 74.31 O ATOM 93 CB ARG A 6 4.310 -5.418 16.240 1.00 54.24 C ATOM 94 CG ARG A 6 3.720 -6.113 15.017 1.00 51.44 C ATOM 95 CD ARG A 6 2.994 -7.403 15.379 1.00 1.41 C ATOM 96 NE ARG A 6 3.893 -8.412 15.941 1.00 10.44 N ATOM 97 CZ ARG A 6 4.184 -9.539 15.345 1.00 34.33 C ATOM 98 NH1 ARG A 6 3.709 -9.804 14.171 1.00 73.52 N ATOM 99 NH2 ARG A 6 4.952 -10.402 15.925 1.00 40.53 N ATOM 0 H ARG A 6 5.168 -2.511 17.224 1.00 55.14 H new ATOM 0 HA ARG A 6 5.940 -4.400 15.297 1.00 52.34 H new ATOM 0 HB2 ARG A 6 4.985 -6.106 16.750 1.00 54.24 H new ATOM 0 HB3 ARG A 6 3.507 -5.183 16.938 1.00 54.24 H new ATOM 0 HG2 ARG A 6 3.027 -5.437 14.517 1.00 51.44 H new ATOM 0 HG3 ARG A 6 4.517 -6.334 14.308 1.00 51.44 H new ATOM 0 HD2 ARG A 6 2.205 -7.183 16.098 1.00 1.41 H new ATOM 0 HD3 ARG A 6 2.511 -7.806 14.489 1.00 1.41 H new ATOM 0 HE ARG A 6 4.317 -8.225 16.850 1.00 10.44 H new ATOM 0 HH11 ARG A 6 3.102 -9.131 13.703 1.00 73.52 H new ATOM 0 HH12 ARG A 6 3.942 -10.686 13.714 1.00 73.52 H new ATOM 0 HH21 ARG A 6 5.333 -10.205 16.850 1.00 40.53 H new ATOM 0 HH22 ARG A 6 5.177 -11.280 15.457 1.00 40.53 H new ATOM 113 N MET A 7 2.996 -2.864 15.654 1.00 51.34 N ATOM 114 CA MET A 7 2.070 -1.921 15.014 1.00 61.55 C ATOM 115 C MET A 7 2.527 -0.473 15.248 1.00 12.34 C ATOM 116 O MET A 7 1.924 0.280 16.020 1.00 53.21 O ATOM 117 CB MET A 7 0.638 -2.129 15.535 1.00 60.44 C ATOM 118 CG MET A 7 0.089 -3.530 15.289 1.00 14.35 C ATOM 119 SD MET A 7 -1.626 -3.719 15.833 1.00 11.44 S ATOM 120 CE MET A 7 -1.475 -3.378 17.587 1.00 15.22 C ATOM 0 H MET A 7 2.665 -3.243 16.542 1.00 51.34 H new ATOM 0 HA MET A 7 2.074 -2.112 13.941 1.00 61.55 H new ATOM 0 HB2 MET A 7 0.618 -1.924 16.605 1.00 60.44 H new ATOM 0 HB3 MET A 7 -0.021 -1.402 15.059 1.00 60.44 H new ATOM 0 HG2 MET A 7 0.155 -3.759 14.225 1.00 14.35 H new ATOM 0 HG3 MET A 7 0.713 -4.256 15.811 1.00 14.35 H new ATOM 0 HE1 MET A 7 -2.362 -3.742 18.106 1.00 15.22 H new ATOM 0 HE2 MET A 7 -0.592 -3.881 17.981 1.00 15.22 H new ATOM 0 HE3 MET A 7 -1.380 -2.303 17.742 1.00 15.22 H new ATOM 130 N ASP A 8 3.621 -0.105 14.595 1.00 32.02 N ATOM 131 CA ASP A 8 4.221 1.219 14.759 1.00 1.05 C ATOM 132 C ASP A 8 4.145 2.054 13.469 1.00 1.25 C ATOM 133 O ASP A 8 3.747 1.567 12.411 1.00 31.14 O ATOM 134 CB ASP A 8 5.676 1.074 15.217 1.00 45.33 C ATOM 135 CG ASP A 8 5.787 0.689 16.685 1.00 35.43 C ATOM 136 OD1 ASP A 8 5.586 -0.496 17.024 1.00 50.32 O ATOM 137 OD2 ASP A 8 6.081 1.579 17.513 1.00 51.31 O ATOM 0 H ASP A 8 4.118 -0.709 13.940 1.00 32.02 H new ATOM 0 HA ASP A 8 3.650 1.752 15.519 1.00 1.05 H new ATOM 0 HB2 ASP A 8 6.172 0.319 14.608 1.00 45.33 H new ATOM 0 HB3 ASP A 8 6.202 2.014 15.050 1.00 45.33 H new ATOM 142 N THR A 9 4.532 3.322 13.573 1.00 62.01 N ATOM 143 CA THR A 9 4.484 4.246 12.433 1.00 22.24 C ATOM 144 C THR A 9 5.671 4.043 11.481 1.00 73.04 C ATOM 145 O THR A 9 6.553 3.219 11.732 1.00 33.14 O ATOM 146 CB THR A 9 4.469 5.720 12.904 1.00 73.52 C ATOM 147 OG1 THR A 9 5.676 6.023 13.624 1.00 5.11 O ATOM 148 CG2 THR A 9 3.259 5.998 13.790 1.00 4.02 C ATOM 0 H THR A 9 4.884 3.738 14.435 1.00 62.01 H new ATOM 0 HA THR A 9 3.560 4.024 11.899 1.00 22.24 H new ATOM 0 HB THR A 9 4.405 6.356 12.021 1.00 73.52 H new ATOM 0 HG1 THR A 9 5.450 6.454 14.475 1.00 5.11 H new ATOM 0 HG21 THR A 9 3.272 7.041 14.107 1.00 4.02 H new ATOM 0 HG22 THR A 9 2.345 5.801 13.230 1.00 4.02 H new ATOM 0 HG23 THR A 9 3.294 5.351 14.667 1.00 4.02 H new ATOM 156 N ILE A 10 5.701 4.822 10.399 1.00 43.24 N ATOM 157 CA ILE A 10 6.743 4.699 9.368 1.00 31.41 C ATOM 158 C ILE A 10 8.158 4.909 9.948 1.00 4.14 C ATOM 159 O ILE A 10 9.154 4.435 9.392 1.00 40.21 O ATOM 160 CB ILE A 10 6.476 5.689 8.200 1.00 53.02 C ATOM 161 CG1 ILE A 10 5.081 5.420 7.602 1.00 11.21 C ATOM 162 CG2 ILE A 10 7.558 5.579 7.121 1.00 41.25 C ATOM 163 CD1 ILE A 10 4.714 6.319 6.441 1.00 55.44 C ATOM 0 H ILE A 10 5.013 5.551 10.210 1.00 43.24 H new ATOM 0 HA ILE A 10 6.700 3.681 8.982 1.00 31.41 H new ATOM 0 HB ILE A 10 6.507 6.706 8.592 1.00 53.02 H new ATOM 0 HG12 ILE A 10 5.035 4.383 7.271 1.00 11.21 H new ATOM 0 HG13 ILE A 10 4.334 5.538 8.387 1.00 11.21 H new ATOM 0 HG21 ILE A 10 7.344 6.284 6.318 1.00 41.25 H new ATOM 0 HG22 ILE A 10 8.530 5.810 7.556 1.00 41.25 H new ATOM 0 HG23 ILE A 10 7.571 4.565 6.721 1.00 41.25 H new ATOM 0 HD11 ILE A 10 3.718 6.061 6.082 1.00 55.44 H new ATOM 0 HD12 ILE A 10 4.724 7.359 6.769 1.00 55.44 H new ATOM 0 HD13 ILE A 10 5.436 6.186 5.635 1.00 55.44 H new ATOM 175 N SER A 11 8.237 5.592 11.088 1.00 33.41 N ATOM 176 CA SER A 11 9.521 5.826 11.770 1.00 61.23 C ATOM 177 C SER A 11 10.151 4.525 12.306 1.00 24.20 C ATOM 178 O SER A 11 11.359 4.469 12.543 1.00 61.22 O ATOM 179 CB SER A 11 9.332 6.815 12.930 1.00 73.21 C ATOM 180 OG SER A 11 8.393 6.325 13.879 1.00 11.45 O ATOM 0 H SER A 11 7.430 5.996 11.564 1.00 33.41 H new ATOM 0 HA SER A 11 10.202 6.243 11.027 1.00 61.23 H new ATOM 0 HB2 SER A 11 10.289 6.991 13.420 1.00 73.21 H new ATOM 0 HB3 SER A 11 8.992 7.775 12.541 1.00 73.21 H new ATOM 0 HG SER A 11 7.491 6.371 13.500 1.00 11.45 H new ATOM 186 N LYS A 12 9.334 3.487 12.506 1.00 34.01 N ATOM 187 CA LYS A 12 9.815 2.211 13.073 1.00 72.33 C ATOM 188 C LYS A 12 9.749 1.048 12.064 1.00 24.51 C ATOM 189 O LYS A 12 10.048 -0.096 12.410 1.00 51.34 O ATOM 190 CB LYS A 12 8.991 1.847 14.321 1.00 44.53 C ATOM 191 CG LYS A 12 9.156 2.809 15.498 1.00 5.22 C ATOM 192 CD LYS A 12 10.563 2.762 16.096 1.00 5.30 C ATOM 193 CE LYS A 12 10.915 1.375 16.637 1.00 52.03 C ATOM 194 NZ LYS A 12 12.282 1.331 17.225 1.00 15.10 N ATOM 0 H LYS A 12 8.338 3.499 12.286 1.00 34.01 H new ATOM 0 HA LYS A 12 10.862 2.358 13.337 1.00 72.33 H new ATOM 0 HB2 LYS A 12 7.937 1.809 14.045 1.00 44.53 H new ATOM 0 HB3 LYS A 12 9.272 0.845 14.646 1.00 44.53 H new ATOM 0 HG2 LYS A 12 8.938 3.825 15.167 1.00 5.22 H new ATOM 0 HG3 LYS A 12 8.427 2.562 16.270 1.00 5.22 H new ATOM 0 HD2 LYS A 12 11.289 3.048 15.335 1.00 5.30 H new ATOM 0 HD3 LYS A 12 10.639 3.494 16.900 1.00 5.30 H new ATOM 0 HE2 LYS A 12 10.186 1.087 17.394 1.00 52.03 H new ATOM 0 HE3 LYS A 12 10.844 0.644 15.832 1.00 52.03 H new ATOM 0 HZ1 LYS A 12 12.477 0.373 17.579 1.00 15.10 H new ATOM 0 HZ2 LYS A 12 12.981 1.580 16.497 1.00 15.10 H new ATOM 0 HZ3 LYS A 12 12.344 2.009 18.011 1.00 15.10 H new ATOM 208 N LEU A 13 9.374 1.334 10.817 1.00 2.23 N ATOM 209 CA LEU A 13 9.194 0.274 9.812 1.00 73.00 C ATOM 210 C LEU A 13 10.533 -0.307 9.319 1.00 31.32 C ATOM 211 O LEU A 13 11.222 0.295 8.491 1.00 33.33 O ATOM 212 CB LEU A 13 8.378 0.782 8.615 1.00 50.43 C ATOM 213 CG LEU A 13 6.925 1.182 8.926 1.00 65.43 C ATOM 214 CD1 LEU A 13 6.198 1.610 7.651 1.00 22.11 C ATOM 215 CD2 LEU A 13 6.183 0.037 9.613 1.00 61.25 C ATOM 0 H LEU A 13 9.190 2.278 10.477 1.00 2.23 H new ATOM 0 HA LEU A 13 8.647 -0.528 10.308 1.00 73.00 H new ATOM 0 HB2 LEU A 13 8.890 1.644 8.188 1.00 50.43 H new ATOM 0 HB3 LEU A 13 8.367 0.006 7.849 1.00 50.43 H new ATOM 0 HG LEU A 13 6.945 2.031 9.609 1.00 65.43 H new ATOM 0 HD11 LEU A 13 5.172 1.889 7.893 1.00 22.11 H new ATOM 0 HD12 LEU A 13 6.711 2.464 7.209 1.00 22.11 H new ATOM 0 HD13 LEU A 13 6.191 0.783 6.941 1.00 22.11 H new ATOM 0 HD21 LEU A 13 5.158 0.342 9.823 1.00 61.25 H new ATOM 0 HD22 LEU A 13 6.175 -0.835 8.960 1.00 61.25 H new ATOM 0 HD23 LEU A 13 6.686 -0.214 10.547 1.00 61.25 H new ATOM 227 N GLU A 14 10.892 -1.476 9.847 1.00 55.11 N ATOM 228 CA GLU A 14 12.067 -2.225 9.380 1.00 40.42 C ATOM 229 C GLU A 14 11.680 -3.212 8.267 1.00 4.44 C ATOM 230 O GLU A 14 10.604 -3.817 8.309 1.00 20.21 O ATOM 231 CB GLU A 14 12.709 -2.995 10.547 1.00 11.13 C ATOM 232 CG GLU A 14 13.899 -3.866 10.137 1.00 1.41 C ATOM 233 CD GLU A 14 14.434 -4.717 11.281 1.00 51.21 C ATOM 234 OE1 GLU A 14 13.939 -5.849 11.470 1.00 40.01 O ATOM 235 OE2 GLU A 14 15.358 -4.263 11.986 1.00 75.42 O ATOM 0 H GLU A 14 10.384 -1.931 10.605 1.00 55.11 H new ATOM 0 HA GLU A 14 12.785 -1.508 8.981 1.00 40.42 H new ATOM 0 HB2 GLU A 14 13.037 -2.282 11.303 1.00 11.13 H new ATOM 0 HB3 GLU A 14 11.952 -3.627 11.012 1.00 11.13 H new ATOM 0 HG2 GLU A 14 13.600 -4.517 9.316 1.00 1.41 H new ATOM 0 HG3 GLU A 14 14.698 -3.227 9.762 1.00 1.41 H new ATOM 242 N GLU A 15 12.552 -3.379 7.276 1.00 4.23 N ATOM 243 CA GLU A 15 12.285 -4.311 6.177 1.00 24.22 C ATOM 244 C GLU A 15 12.317 -5.773 6.658 1.00 20.32 C ATOM 245 O GLU A 15 13.298 -6.233 7.246 1.00 30.12 O ATOM 246 CB GLU A 15 13.268 -4.094 5.017 1.00 51.02 C ATOM 247 CG GLU A 15 14.735 -4.308 5.370 1.00 22.45 C ATOM 248 CD GLU A 15 15.652 -4.043 4.188 1.00 52.22 C ATOM 249 OE1 GLU A 15 15.666 -4.863 3.244 1.00 21.50 O ATOM 250 OE2 GLU A 15 16.351 -3.004 4.185 1.00 24.44 O ATOM 0 H GLU A 15 13.443 -2.887 7.208 1.00 4.23 H new ATOM 0 HA GLU A 15 11.279 -4.105 5.811 1.00 24.22 H new ATOM 0 HB2 GLU A 15 13.003 -4.770 4.204 1.00 51.02 H new ATOM 0 HB3 GLU A 15 13.144 -3.079 4.640 1.00 51.02 H new ATOM 0 HG2 GLU A 15 15.009 -3.650 6.195 1.00 22.45 H new ATOM 0 HG3 GLU A 15 14.878 -5.331 5.717 1.00 22.45 H new ATOM 257 N GLY A 16 11.229 -6.493 6.401 1.00 43.44 N ATOM 258 CA GLY A 16 11.083 -7.861 6.884 1.00 32.11 C ATOM 259 C GLY A 16 10.051 -7.976 8.002 1.00 75.21 C ATOM 260 O GLY A 16 9.670 -9.079 8.400 1.00 12.15 O ATOM 0 H GLY A 16 10.435 -6.151 5.860 1.00 43.44 H new ATOM 0 HA2 GLY A 16 10.791 -8.507 6.056 1.00 32.11 H new ATOM 0 HA3 GLY A 16 12.047 -8.221 7.244 1.00 32.11 H new ATOM 264 N ALA A 17 9.601 -6.830 8.512 1.00 51.11 N ATOM 265 CA ALA A 17 8.611 -6.791 9.593 1.00 12.21 C ATOM 266 C ALA A 17 7.172 -6.898 9.058 1.00 70.33 C ATOM 267 O ALA A 17 6.847 -6.350 7.999 1.00 40.11 O ATOM 268 CB ALA A 17 8.777 -5.509 10.402 1.00 24.14 C ATOM 0 H ALA A 17 9.907 -5.911 8.193 1.00 51.11 H new ATOM 0 HA ALA A 17 8.786 -7.654 10.235 1.00 12.21 H new ATOM 0 HB1 ALA A 17 8.039 -5.486 11.203 1.00 24.14 H new ATOM 0 HB2 ALA A 17 9.779 -5.476 10.831 1.00 24.14 H new ATOM 0 HB3 ALA A 17 8.633 -4.647 9.751 1.00 24.14 H new ATOM 274 N GLU A 18 6.318 -7.611 9.794 1.00 13.42 N ATOM 275 CA GLU A 18 4.900 -7.743 9.436 1.00 42.13 C ATOM 276 C GLU A 18 4.027 -6.835 10.318 1.00 24.33 C ATOM 277 O GLU A 18 3.817 -7.108 11.503 1.00 75.40 O ATOM 278 CB GLU A 18 4.471 -9.210 9.598 1.00 72.42 C ATOM 279 CG GLU A 18 3.000 -9.481 9.296 1.00 1.24 C ATOM 280 CD GLU A 18 2.641 -10.949 9.476 1.00 22.55 C ATOM 281 OE1 GLU A 18 2.330 -11.358 10.615 1.00 64.00 O ATOM 282 OE2 GLU A 18 2.697 -11.706 8.484 1.00 35.02 O ATOM 0 H GLU A 18 6.582 -8.108 10.645 1.00 13.42 H new ATOM 0 HA GLU A 18 4.766 -7.435 8.399 1.00 42.13 H new ATOM 0 HB2 GLU A 18 5.083 -9.828 8.941 1.00 72.42 H new ATOM 0 HB3 GLU A 18 4.682 -9.525 10.620 1.00 72.42 H new ATOM 0 HG2 GLU A 18 2.377 -8.873 9.952 1.00 1.24 H new ATOM 0 HG3 GLU A 18 2.778 -9.176 8.273 1.00 1.24 H new ATOM 289 N THR A 19 3.511 -5.755 9.732 1.00 11.43 N ATOM 290 CA THR A 19 2.705 -4.777 10.479 1.00 31.22 C ATOM 291 C THR A 19 1.711 -4.033 9.574 1.00 52.25 C ATOM 292 O THR A 19 1.930 -3.920 8.370 1.00 54.13 O ATOM 293 CB THR A 19 3.603 -3.728 11.184 1.00 14.31 C ATOM 294 OG1 THR A 19 2.793 -2.744 11.849 1.00 20.21 O ATOM 295 CG2 THR A 19 4.531 -3.039 10.187 1.00 72.03 C ATOM 0 H THR A 19 3.634 -5.531 8.744 1.00 11.43 H new ATOM 0 HA THR A 19 2.150 -5.350 11.221 1.00 31.22 H new ATOM 0 HB THR A 19 4.213 -4.252 11.920 1.00 14.31 H new ATOM 0 HG1 THR A 19 2.440 -2.111 11.189 1.00 20.21 H new ATOM 0 HG21 THR A 19 5.149 -2.309 10.710 1.00 72.03 H new ATOM 0 HG22 THR A 19 5.171 -3.782 9.712 1.00 72.03 H new ATOM 0 HG23 THR A 19 3.937 -2.533 9.426 1.00 72.03 H new ATOM 303 N PRO A 20 0.588 -3.539 10.131 1.00 11.23 N ATOM 304 CA PRO A 20 -0.273 -2.573 9.428 1.00 44.52 C ATOM 305 C PRO A 20 0.388 -1.183 9.333 1.00 13.43 C ATOM 306 O PRO A 20 1.099 -0.762 10.245 1.00 43.22 O ATOM 307 CB PRO A 20 -1.537 -2.521 10.301 1.00 75.33 C ATOM 308 CG PRO A 20 -1.069 -2.905 11.666 1.00 2.22 C ATOM 309 CD PRO A 20 0.048 -3.897 11.461 1.00 63.10 C ATOM 0 HA PRO A 20 -0.473 -2.866 8.397 1.00 44.52 H new ATOM 0 HB2 PRO A 20 -1.979 -1.525 10.299 1.00 75.33 H new ATOM 0 HB3 PRO A 20 -2.300 -3.209 9.935 1.00 75.33 H new ATOM 0 HG2 PRO A 20 -0.719 -2.033 12.218 1.00 2.22 H new ATOM 0 HG3 PRO A 20 -1.880 -3.345 12.247 1.00 2.22 H new ATOM 0 HD2 PRO A 20 0.807 -3.813 12.238 1.00 63.10 H new ATOM 0 HD3 PRO A 20 -0.318 -4.924 11.483 1.00 63.10 H new ATOM 317 N VAL A 21 0.146 -0.468 8.233 1.00 72.50 N ATOM 318 CA VAL A 21 0.762 0.853 8.014 1.00 41.21 C ATOM 319 C VAL A 21 -0.296 1.940 7.764 1.00 61.42 C ATOM 320 O VAL A 21 -1.441 1.646 7.424 1.00 34.34 O ATOM 321 CB VAL A 21 1.762 0.826 6.826 1.00 72.41 C ATOM 322 CG1 VAL A 21 2.923 -0.126 7.117 1.00 61.34 C ATOM 323 CG2 VAL A 21 1.058 0.439 5.524 1.00 3.32 C ATOM 0 H VAL A 21 -0.469 -0.775 7.479 1.00 72.50 H new ATOM 0 HA VAL A 21 1.304 1.095 8.928 1.00 41.21 H new ATOM 0 HB VAL A 21 2.166 1.831 6.704 1.00 72.41 H new ATOM 0 HG11 VAL A 21 3.611 -0.129 6.272 1.00 61.34 H new ATOM 0 HG12 VAL A 21 3.449 0.205 8.012 1.00 61.34 H new ATOM 0 HG13 VAL A 21 2.537 -1.133 7.275 1.00 61.34 H new ATOM 0 HG21 VAL A 21 1.781 0.428 4.709 1.00 3.32 H new ATOM 0 HG22 VAL A 21 0.616 -0.551 5.630 1.00 3.32 H new ATOM 0 HG23 VAL A 21 0.275 1.165 5.304 1.00 3.32 H new ATOM 333 N THR A 22 0.100 3.200 7.936 1.00 54.34 N ATOM 334 CA THR A 22 -0.818 4.342 7.780 1.00 55.22 C ATOM 335 C THR A 22 -0.130 5.519 7.073 1.00 31.11 C ATOM 336 O THR A 22 1.076 5.719 7.222 1.00 1.43 O ATOM 337 CB THR A 22 -1.352 4.820 9.158 1.00 34.53 C ATOM 338 OG1 THR A 22 -2.046 3.747 9.814 1.00 61.30 O ATOM 339 CG2 THR A 22 -2.291 6.017 9.020 1.00 20.12 C ATOM 0 H THR A 22 1.054 3.463 8.185 1.00 54.34 H new ATOM 0 HA THR A 22 -1.653 3.999 7.169 1.00 55.22 H new ATOM 0 HB THR A 22 -0.492 5.129 9.752 1.00 34.53 H new ATOM 0 HG1 THR A 22 -2.378 4.055 10.683 1.00 61.30 H new ATOM 0 HG21 THR A 22 -2.642 6.320 10.007 1.00 20.12 H new ATOM 0 HG22 THR A 22 -1.758 6.846 8.554 1.00 20.12 H new ATOM 0 HG23 THR A 22 -3.144 5.741 8.401 1.00 20.12 H new ATOM 347 N GLY A 23 -0.893 6.288 6.294 1.00 64.30 N ATOM 348 CA GLY A 23 -0.329 7.452 5.621 1.00 23.34 C ATOM 349 C GLY A 23 -1.345 8.251 4.809 1.00 11.31 C ATOM 350 O GLY A 23 -2.455 7.784 4.534 1.00 71.45 O ATOM 0 H GLY A 23 -1.885 6.128 6.117 1.00 64.30 H new ATOM 0 HA2 GLY A 23 0.121 8.107 6.366 1.00 23.34 H new ATOM 0 HA3 GLY A 23 0.473 7.124 4.959 1.00 23.34 H new ATOM 354 N ARG A 24 -0.957 9.468 4.430 1.00 53.22 N ATOM 355 CA ARG A 24 -1.782 10.340 3.586 1.00 13.54 C ATOM 356 C ARG A 24 -1.501 10.083 2.095 1.00 72.44 C ATOM 357 O ARG A 24 -0.397 10.348 1.614 1.00 74.23 O ATOM 358 CB ARG A 24 -1.479 11.807 3.924 1.00 24.15 C ATOM 359 CG ARG A 24 -1.856 12.209 5.348 1.00 33.31 C ATOM 360 CD ARG A 24 -1.183 13.512 5.761 1.00 3.32 C ATOM 361 NE ARG A 24 0.264 13.345 5.874 1.00 23.21 N ATOM 362 CZ ARG A 24 1.144 14.286 5.666 1.00 20.12 C ATOM 363 NH1 ARG A 24 0.772 15.479 5.325 1.00 30.33 N ATOM 364 NH2 ARG A 24 2.403 14.021 5.798 1.00 40.52 N ATOM 0 H ARG A 24 -0.063 9.880 4.698 1.00 53.22 H new ATOM 0 HA ARG A 24 -2.833 10.124 3.780 1.00 13.54 H new ATOM 0 HB2 ARG A 24 -0.415 11.991 3.776 1.00 24.15 H new ATOM 0 HB3 ARG A 24 -2.014 12.448 3.223 1.00 24.15 H new ATOM 0 HG2 ARG A 24 -2.938 12.319 5.421 1.00 33.31 H new ATOM 0 HG3 ARG A 24 -1.569 11.416 6.038 1.00 33.31 H new ATOM 0 HD2 ARG A 24 -1.406 14.288 5.029 1.00 3.32 H new ATOM 0 HD3 ARG A 24 -1.589 13.848 6.715 1.00 3.32 H new ATOM 0 HE ARG A 24 0.613 12.423 6.135 1.00 23.21 H new ATOM 0 HH11 ARG A 24 -0.219 15.692 5.216 1.00 30.33 H new ATOM 0 HH12 ARG A 24 1.471 16.205 5.166 1.00 30.33 H new ATOM 0 HH21 ARG A 24 2.702 13.082 6.063 1.00 40.52 H new ATOM 0 HH22 ARG A 24 3.097 14.751 5.637 1.00 40.52 H new ATOM 378 N VAL A 25 -2.493 9.569 1.370 1.00 34.31 N ATOM 379 CA VAL A 25 -2.331 9.269 -0.060 1.00 3.02 C ATOM 380 C VAL A 25 -2.049 10.540 -0.884 1.00 63.53 C ATOM 381 O VAL A 25 -2.925 11.388 -1.052 1.00 74.45 O ATOM 382 CB VAL A 25 -3.583 8.559 -0.637 1.00 73.21 C ATOM 383 CG1 VAL A 25 -3.411 8.279 -2.129 1.00 74.33 C ATOM 384 CG2 VAL A 25 -3.869 7.268 0.125 1.00 54.14 C ATOM 0 H VAL A 25 -3.417 9.350 1.744 1.00 34.31 H new ATOM 0 HA VAL A 25 -1.473 8.602 -0.137 1.00 3.02 H new ATOM 0 HB VAL A 25 -4.437 9.225 -0.514 1.00 73.21 H new ATOM 0 HG11 VAL A 25 -4.302 7.781 -2.511 1.00 74.33 H new ATOM 0 HG12 VAL A 25 -3.265 9.219 -2.661 1.00 74.33 H new ATOM 0 HG13 VAL A 25 -2.543 7.637 -2.281 1.00 74.33 H new ATOM 0 HG21 VAL A 25 -4.751 6.785 -0.295 1.00 54.14 H new ATOM 0 HG22 VAL A 25 -3.013 6.598 0.040 1.00 54.14 H new ATOM 0 HG23 VAL A 25 -4.047 7.497 1.176 1.00 54.14 H new ATOM 394 N MET A 26 -0.826 10.665 -1.393 1.00 25.10 N ATOM 395 CA MET A 26 -0.443 11.830 -2.200 1.00 12.24 C ATOM 396 C MET A 26 -0.572 11.543 -3.703 1.00 1.13 C ATOM 397 O MET A 26 -1.253 12.268 -4.423 1.00 53.32 O ATOM 398 CB MET A 26 0.993 12.265 -1.869 1.00 73.31 C ATOM 399 CG MET A 26 1.435 13.531 -2.595 1.00 12.14 C ATOM 400 SD MET A 26 3.087 14.079 -2.111 1.00 2.53 S ATOM 401 CE MET A 26 4.082 12.671 -2.612 1.00 45.30 C ATOM 0 H MET A 26 -0.082 9.979 -1.264 1.00 25.10 H new ATOM 0 HA MET A 26 -1.128 12.640 -1.952 1.00 12.24 H new ATOM 0 HB2 MET A 26 1.075 12.426 -0.794 1.00 73.31 H new ATOM 0 HB3 MET A 26 1.676 11.454 -2.123 1.00 73.31 H new ATOM 0 HG2 MET A 26 1.418 13.352 -3.670 1.00 12.14 H new ATOM 0 HG3 MET A 26 0.720 14.328 -2.393 1.00 12.14 H new ATOM 0 HE1 MET A 26 5.023 13.023 -3.035 1.00 45.30 H new ATOM 0 HE2 MET A 26 4.286 12.043 -1.745 1.00 45.30 H new ATOM 0 HE3 MET A 26 3.542 12.092 -3.361 1.00 45.30 H new ATOM 411 N LYS A 27 0.094 10.483 -4.170 1.00 55.01 N ATOM 412 CA LYS A 27 0.086 10.122 -5.599 1.00 73.04 C ATOM 413 C LYS A 27 -0.202 8.623 -5.794 1.00 51.42 C ATOM 414 O LYS A 27 0.419 7.776 -5.152 1.00 24.23 O ATOM 415 CB LYS A 27 1.437 10.469 -6.250 1.00 1.13 C ATOM 416 CG LYS A 27 1.843 11.939 -6.130 1.00 1.22 C ATOM 417 CD LYS A 27 0.789 12.875 -6.717 1.00 5.54 C ATOM 418 CE LYS A 27 1.225 14.336 -6.650 1.00 5.12 C ATOM 419 NZ LYS A 27 0.197 15.250 -7.215 1.00 64.22 N ATOM 0 H LYS A 27 0.646 9.858 -3.583 1.00 55.01 H new ATOM 0 HA LYS A 27 -0.707 10.696 -6.078 1.00 73.04 H new ATOM 0 HB2 LYS A 27 2.213 9.853 -5.796 1.00 1.13 H new ATOM 0 HB3 LYS A 27 1.396 10.202 -7.306 1.00 1.13 H new ATOM 0 HG2 LYS A 27 2.003 12.186 -5.080 1.00 1.22 H new ATOM 0 HG3 LYS A 27 2.792 12.096 -6.642 1.00 1.22 H new ATOM 0 HD2 LYS A 27 0.597 12.601 -7.754 1.00 5.54 H new ATOM 0 HD3 LYS A 27 -0.149 12.751 -6.176 1.00 5.54 H new ATOM 0 HE2 LYS A 27 1.422 14.608 -5.613 1.00 5.12 H new ATOM 0 HE3 LYS A 27 2.160 14.461 -7.196 1.00 5.12 H new ATOM 0 HZ1 LYS A 27 0.533 16.232 -7.150 1.00 64.22 H new ATOM 0 HZ2 LYS A 27 0.027 15.007 -8.212 1.00 64.22 H new ATOM 0 HZ3 LYS A 27 -0.688 15.151 -6.679 1.00 64.22 H new ATOM 433 N ILE A 28 -1.144 8.304 -6.680 1.00 51.04 N ATOM 434 CA ILE A 28 -1.486 6.907 -6.988 1.00 25.33 C ATOM 435 C ILE A 28 -1.045 6.519 -8.410 1.00 1.10 C ATOM 436 O ILE A 28 -1.542 7.067 -9.398 1.00 60.44 O ATOM 437 CB ILE A 28 -3.010 6.647 -6.852 1.00 62.12 C ATOM 438 CG1 ILE A 28 -3.491 6.976 -5.428 1.00 64.41 C ATOM 439 CG2 ILE A 28 -3.345 5.196 -7.216 1.00 43.43 C ATOM 440 CD1 ILE A 28 -4.976 6.758 -5.214 1.00 2.04 C ATOM 0 H ILE A 28 -1.688 8.992 -7.201 1.00 51.04 H new ATOM 0 HA ILE A 28 -0.951 6.294 -6.263 1.00 25.33 H new ATOM 0 HB ILE A 28 -3.533 7.302 -7.548 1.00 62.12 H new ATOM 0 HG12 ILE A 28 -2.938 6.362 -4.718 1.00 64.41 H new ATOM 0 HG13 ILE A 28 -3.251 8.016 -5.205 1.00 64.41 H new ATOM 0 HG21 ILE A 28 -4.418 5.034 -7.114 1.00 43.43 H new ATOM 0 HG22 ILE A 28 -3.044 5.000 -8.245 1.00 43.43 H new ATOM 0 HG23 ILE A 28 -2.811 4.521 -6.548 1.00 43.43 H new ATOM 0 HD11 ILE A 28 -5.237 7.012 -4.186 1.00 2.04 H new ATOM 0 HD12 ILE A 28 -5.539 7.392 -5.898 1.00 2.04 H new ATOM 0 HD13 ILE A 28 -5.221 5.713 -5.403 1.00 2.04 H new ATOM 452 N SER A 29 -0.110 5.579 -8.513 1.00 73.33 N ATOM 453 CA SER A 29 0.322 5.057 -9.819 1.00 12.50 C ATOM 454 C SER A 29 -0.621 3.950 -10.305 1.00 23.42 C ATOM 455 O SER A 29 -1.075 3.117 -9.520 1.00 22.20 O ATOM 456 CB SER A 29 1.759 4.525 -9.750 1.00 52.23 C ATOM 457 OG SER A 29 2.682 5.567 -9.461 1.00 30.20 O ATOM 0 H SER A 29 0.366 5.160 -7.714 1.00 73.33 H new ATOM 0 HA SER A 29 0.289 5.882 -10.530 1.00 12.50 H new ATOM 0 HB2 SER A 29 1.827 3.753 -8.983 1.00 52.23 H new ATOM 0 HB3 SER A 29 2.022 4.056 -10.698 1.00 52.23 H new ATOM 0 HG SER A 29 3.589 5.199 -9.421 1.00 30.20 H new ATOM 463 N SER A 30 -0.892 3.943 -11.606 1.00 24.41 N ATOM 464 CA SER A 30 -1.865 3.018 -12.207 1.00 24.21 C ATOM 465 C SER A 30 -1.457 1.544 -12.032 1.00 44.14 C ATOM 466 O SER A 30 -0.269 1.221 -11.966 1.00 72.03 O ATOM 467 CB SER A 30 -2.026 3.328 -13.702 1.00 54.15 C ATOM 468 OG SER A 30 -2.247 4.717 -13.914 1.00 4.52 O ATOM 0 H SER A 30 -0.450 4.572 -12.276 1.00 24.41 H new ATOM 0 HA SER A 30 -2.812 3.164 -11.687 1.00 24.21 H new ATOM 0 HB2 SER A 30 -1.133 3.012 -14.241 1.00 54.15 H new ATOM 0 HB3 SER A 30 -2.861 2.757 -14.107 1.00 54.15 H new ATOM 0 HG SER A 30 -2.345 4.890 -14.874 1.00 4.52 H new ATOM 474 N PRO A 31 -2.444 0.625 -11.960 1.00 63.11 N ATOM 475 CA PRO A 31 -2.178 -0.816 -11.795 1.00 72.14 C ATOM 476 C PRO A 31 -1.486 -1.435 -13.023 1.00 13.11 C ATOM 477 O PRO A 31 -2.034 -1.438 -14.127 1.00 10.23 O ATOM 478 CB PRO A 31 -3.583 -1.412 -11.595 1.00 11.33 C ATOM 479 CG PRO A 31 -4.505 -0.442 -12.257 1.00 31.23 C ATOM 480 CD PRO A 31 -3.894 0.915 -12.032 1.00 65.02 C ATOM 0 HA PRO A 31 -1.496 -1.015 -10.969 1.00 72.14 H new ATOM 0 HB2 PRO A 31 -3.661 -2.402 -12.045 1.00 11.33 H new ATOM 0 HB3 PRO A 31 -3.819 -1.523 -10.537 1.00 11.33 H new ATOM 0 HG2 PRO A 31 -4.602 -0.657 -13.321 1.00 31.23 H new ATOM 0 HG3 PRO A 31 -5.506 -0.497 -11.828 1.00 31.23 H new ATOM 0 HD2 PRO A 31 -4.127 1.602 -12.846 1.00 65.02 H new ATOM 0 HD3 PRO A 31 -4.259 1.374 -11.113 1.00 65.02 H new ATOM 488 N ARG A 32 -0.286 -1.968 -12.821 1.00 3.22 N ATOM 489 CA ARG A 32 0.505 -2.554 -13.906 1.00 2.42 C ATOM 490 C ARG A 32 0.267 -4.068 -14.015 1.00 41.44 C ATOM 491 O ARG A 32 0.429 -4.799 -13.038 1.00 24.53 O ATOM 492 CB ARG A 32 1.994 -2.275 -13.663 1.00 13.34 C ATOM 493 CG ARG A 32 2.904 -2.798 -14.766 1.00 41.21 C ATOM 494 CD ARG A 32 4.373 -2.519 -14.473 1.00 4.45 C ATOM 495 NE ARG A 32 5.232 -2.869 -15.603 1.00 34.04 N ATOM 496 CZ ARG A 32 6.536 -2.846 -15.569 1.00 40.04 C ATOM 497 NH1 ARG A 32 7.166 -2.570 -14.472 1.00 65.44 N ATOM 498 NH2 ARG A 32 7.213 -3.110 -16.639 1.00 74.20 N ATOM 0 H ARG A 32 0.167 -2.008 -11.908 1.00 3.22 H new ATOM 0 HA ARG A 32 0.192 -2.097 -14.845 1.00 2.42 H new ATOM 0 HB2 ARG A 32 2.141 -1.200 -13.562 1.00 13.34 H new ATOM 0 HB3 ARG A 32 2.289 -2.727 -12.716 1.00 13.34 H new ATOM 0 HG2 ARG A 32 2.755 -3.872 -14.881 1.00 41.21 H new ATOM 0 HG3 ARG A 32 2.629 -2.335 -15.713 1.00 41.21 H new ATOM 0 HD2 ARG A 32 4.501 -1.463 -14.233 1.00 4.45 H new ATOM 0 HD3 ARG A 32 4.681 -3.085 -13.594 1.00 4.45 H new ATOM 0 HE ARG A 32 4.783 -3.149 -16.475 1.00 34.04 H new ATOM 0 HH11 ARG A 32 6.642 -2.367 -13.620 1.00 65.44 H new ATOM 0 HH12 ARG A 32 8.186 -2.555 -14.459 1.00 65.44 H new ATOM 0 HH21 ARG A 32 6.727 -3.336 -17.507 1.00 74.20 H new ATOM 0 HH22 ARG A 32 8.233 -3.093 -16.615 1.00 74.20 H new ATOM 512 N THR A 33 -0.113 -4.530 -15.205 1.00 62.40 N ATOM 513 CA THR A 33 -0.424 -5.949 -15.427 1.00 1.23 C ATOM 514 C THR A 33 0.822 -6.747 -15.848 1.00 74.33 C ATOM 515 O THR A 33 1.621 -6.287 -16.670 1.00 5.30 O ATOM 516 CB THR A 33 -1.514 -6.126 -16.517 1.00 64.22 C ATOM 517 OG1 THR A 33 -2.542 -5.138 -16.355 1.00 73.33 O ATOM 518 CG2 THR A 33 -2.152 -7.508 -16.448 1.00 23.22 C ATOM 0 H THR A 33 -0.214 -3.945 -16.034 1.00 62.40 H new ATOM 0 HA THR A 33 -0.792 -6.333 -14.475 1.00 1.23 H new ATOM 0 HB THR A 33 -1.027 -6.009 -17.485 1.00 64.22 H new ATOM 0 HG1 THR A 33 -3.048 -5.052 -17.190 1.00 73.33 H new ATOM 0 HG21 THR A 33 -2.911 -7.598 -17.225 1.00 23.22 H new ATOM 0 HG22 THR A 33 -1.387 -8.270 -16.598 1.00 23.22 H new ATOM 0 HG23 THR A 33 -2.615 -7.647 -15.471 1.00 23.22 H new ATOM 526 N PHE A 34 0.971 -7.948 -15.294 1.00 12.31 N ATOM 527 CA PHE A 34 2.104 -8.828 -15.609 1.00 22.43 C ATOM 528 C PHE A 34 1.627 -10.249 -15.951 1.00 70.11 C ATOM 529 O PHE A 34 0.483 -10.617 -15.686 1.00 12.40 O ATOM 530 CB PHE A 34 3.091 -8.874 -14.430 1.00 54.42 C ATOM 531 CG PHE A 34 2.466 -9.284 -13.115 1.00 4.32 C ATOM 532 CD1 PHE A 34 2.266 -10.624 -12.807 1.00 24.54 C ATOM 533 CD2 PHE A 34 2.083 -8.327 -12.187 1.00 71.50 C ATOM 534 CE1 PHE A 34 1.697 -10.997 -11.604 1.00 20.23 C ATOM 535 CE2 PHE A 34 1.513 -8.697 -10.982 1.00 34.43 C ATOM 536 CZ PHE A 34 1.319 -10.032 -10.691 1.00 55.35 C ATOM 0 H PHE A 34 0.316 -8.341 -14.618 1.00 12.31 H new ATOM 0 HA PHE A 34 2.611 -8.419 -16.483 1.00 22.43 H new ATOM 0 HB2 PHE A 34 3.895 -9.570 -14.670 1.00 54.42 H new ATOM 0 HB3 PHE A 34 3.546 -7.890 -14.313 1.00 54.42 H new ATOM 0 HD1 PHE A 34 2.559 -11.384 -13.517 1.00 24.54 H new ATOM 0 HD2 PHE A 34 2.232 -7.280 -12.408 1.00 71.50 H new ATOM 0 HE1 PHE A 34 1.548 -12.043 -11.378 1.00 20.23 H new ATOM 0 HE2 PHE A 34 1.220 -7.941 -10.269 1.00 34.43 H new ATOM 0 HZ PHE A 34 0.872 -10.322 -9.751 1.00 55.35 H new ATOM 546 N THR A 35 2.514 -11.045 -16.533 1.00 61.31 N ATOM 547 CA THR A 35 2.194 -12.433 -16.880 1.00 21.43 C ATOM 548 C THR A 35 2.429 -13.374 -15.685 1.00 4.43 C ATOM 549 O THR A 35 3.574 -13.632 -15.301 1.00 51.35 O ATOM 550 CB THR A 35 3.044 -12.920 -18.080 1.00 34.42 C ATOM 551 OG1 THR A 35 2.900 -12.021 -19.192 1.00 52.32 O ATOM 552 CG2 THR A 35 2.633 -14.323 -18.511 1.00 75.24 C ATOM 0 H THR A 35 3.462 -10.758 -16.777 1.00 61.31 H new ATOM 0 HA THR A 35 1.139 -12.457 -17.154 1.00 21.43 H new ATOM 0 HB THR A 35 4.086 -12.942 -17.760 1.00 34.42 H new ATOM 0 HG1 THR A 35 3.444 -12.340 -19.943 1.00 52.32 H new ATOM 0 HG21 THR A 35 3.246 -14.639 -19.355 1.00 75.24 H new ATOM 0 HG22 THR A 35 2.775 -15.015 -17.681 1.00 75.24 H new ATOM 0 HG23 THR A 35 1.584 -14.320 -18.806 1.00 75.24 H new ATOM 560 N THR A 36 1.347 -13.871 -15.084 1.00 53.31 N ATOM 561 CA THR A 36 1.456 -14.799 -13.943 1.00 72.43 C ATOM 562 C THR A 36 1.185 -16.256 -14.353 1.00 52.34 C ATOM 563 O THR A 36 0.799 -16.539 -15.489 1.00 53.51 O ATOM 564 CB THR A 36 0.499 -14.415 -12.788 1.00 60.43 C ATOM 565 OG1 THR A 36 0.676 -15.315 -11.681 1.00 4.40 O ATOM 566 CG2 THR A 36 -0.958 -14.445 -13.235 1.00 33.25 C ATOM 0 H THR A 36 0.390 -13.653 -15.361 1.00 53.31 H new ATOM 0 HA THR A 36 2.485 -14.716 -13.594 1.00 72.43 H new ATOM 0 HB THR A 36 0.743 -13.398 -12.482 1.00 60.43 H new ATOM 0 HG1 THR A 36 0.068 -15.064 -10.955 1.00 4.40 H new ATOM 0 HG21 THR A 36 -1.601 -14.170 -12.399 1.00 33.25 H new ATOM 0 HG22 THR A 36 -1.103 -13.738 -14.052 1.00 33.25 H new ATOM 0 HG23 THR A 36 -1.214 -15.449 -13.575 1.00 33.25 H new ATOM 574 N ARG A 37 1.386 -17.178 -13.411 1.00 61.44 N ATOM 575 CA ARG A 37 1.197 -18.613 -13.669 1.00 34.20 C ATOM 576 C ARG A 37 -0.210 -19.082 -13.256 1.00 51.15 C ATOM 577 O ARG A 37 -0.611 -20.211 -13.547 1.00 74.30 O ATOM 578 CB ARG A 37 2.265 -19.421 -12.920 1.00 42.23 C ATOM 579 CG ARG A 37 3.689 -18.958 -13.205 1.00 71.12 C ATOM 580 CD ARG A 37 4.729 -19.829 -12.506 1.00 2.41 C ATOM 581 NE ARG A 37 6.079 -19.291 -12.663 1.00 13.24 N ATOM 582 CZ ARG A 37 7.095 -19.960 -13.132 1.00 31.43 C ATOM 583 NH1 ARG A 37 6.962 -21.187 -13.518 1.00 21.03 N ATOM 584 NH2 ARG A 37 8.249 -19.392 -13.232 1.00 43.31 N ATOM 0 H ARG A 37 1.680 -16.960 -12.459 1.00 61.44 H new ATOM 0 HA ARG A 37 1.300 -18.780 -14.741 1.00 34.20 H new ATOM 0 HB2 ARG A 37 2.077 -19.352 -11.849 1.00 42.23 H new ATOM 0 HB3 ARG A 37 2.172 -20.472 -13.193 1.00 42.23 H new ATOM 0 HG2 ARG A 37 3.867 -18.975 -14.280 1.00 71.12 H new ATOM 0 HG3 ARG A 37 3.805 -17.924 -12.879 1.00 71.12 H new ATOM 0 HD2 ARG A 37 4.488 -19.903 -11.446 1.00 2.41 H new ATOM 0 HD3 ARG A 37 4.690 -20.839 -12.913 1.00 2.41 H new ATOM 0 HE ARG A 37 6.238 -18.322 -12.386 1.00 13.24 H new ATOM 0 HH11 ARG A 37 6.053 -21.645 -13.458 1.00 21.03 H new ATOM 0 HH12 ARG A 37 7.767 -21.697 -13.883 1.00 21.03 H new ATOM 0 HH21 ARG A 37 8.366 -18.420 -12.944 1.00 43.31 H new ATOM 0 HH22 ARG A 37 9.045 -19.915 -13.599 1.00 43.31 H new ATOM 598 N LYS A 38 -0.954 -18.212 -12.575 1.00 24.51 N ATOM 599 CA LYS A 38 -2.332 -18.517 -12.164 1.00 63.11 C ATOM 600 C LYS A 38 -3.333 -18.129 -13.263 1.00 13.32 C ATOM 601 O LYS A 38 -2.991 -17.409 -14.201 1.00 44.32 O ATOM 602 CB LYS A 38 -2.676 -17.767 -10.865 1.00 73.21 C ATOM 603 CG LYS A 38 -1.770 -18.096 -9.672 1.00 13.42 C ATOM 604 CD LYS A 38 -2.228 -19.334 -8.885 1.00 1.04 C ATOM 605 CE LYS A 38 -2.054 -20.635 -9.662 1.00 43.11 C ATOM 606 NZ LYS A 38 -2.447 -21.822 -8.856 1.00 31.42 N ATOM 0 H LYS A 38 -0.629 -17.287 -12.294 1.00 24.51 H new ATOM 0 HA LYS A 38 -2.403 -19.591 -11.993 1.00 63.11 H new ATOM 0 HB2 LYS A 38 -2.625 -16.695 -11.057 1.00 73.21 H new ATOM 0 HB3 LYS A 38 -3.707 -17.994 -10.593 1.00 73.21 H new ATOM 0 HG2 LYS A 38 -0.753 -18.257 -10.030 1.00 13.42 H new ATOM 0 HG3 LYS A 38 -1.739 -17.238 -9.001 1.00 13.42 H new ATOM 0 HD2 LYS A 38 -1.663 -19.395 -7.955 1.00 1.04 H new ATOM 0 HD3 LYS A 38 -3.277 -19.217 -8.614 1.00 1.04 H new ATOM 0 HE2 LYS A 38 -2.656 -20.598 -10.570 1.00 43.11 H new ATOM 0 HE3 LYS A 38 -1.014 -20.736 -9.972 1.00 43.11 H new ATOM 0 HZ1 LYS A 38 -2.314 -22.685 -9.421 1.00 31.42 H new ATOM 0 HZ2 LYS A 38 -1.856 -21.873 -8.002 1.00 31.42 H new ATOM 0 HZ3 LYS A 38 -3.447 -21.739 -8.581 1.00 31.42 H new ATOM 620 N GLY A 39 -4.575 -18.591 -13.134 1.00 14.22 N ATOM 621 CA GLY A 39 -5.613 -18.261 -14.109 1.00 70.33 C ATOM 622 C GLY A 39 -6.175 -16.841 -13.962 1.00 52.52 C ATOM 623 O GLY A 39 -7.368 -16.613 -14.169 1.00 3.20 O ATOM 0 H GLY A 39 -4.886 -19.191 -12.370 1.00 14.22 H new ATOM 0 HA2 GLY A 39 -5.205 -18.378 -15.113 1.00 70.33 H new ATOM 0 HA3 GLY A 39 -6.430 -18.976 -14.012 1.00 70.33 H new ATOM 627 N ARG A 40 -5.315 -15.892 -13.594 1.00 4.21 N ATOM 628 CA ARG A 40 -5.702 -14.481 -13.456 1.00 21.02 C ATOM 629 C ARG A 40 -4.776 -13.556 -14.262 1.00 40.45 C ATOM 630 O ARG A 40 -3.665 -13.934 -14.634 1.00 72.53 O ATOM 631 CB ARG A 40 -5.707 -14.054 -11.978 1.00 62.45 C ATOM 632 CG ARG A 40 -6.945 -14.509 -11.207 1.00 24.52 C ATOM 633 CD ARG A 40 -7.004 -13.898 -9.808 1.00 1.44 C ATOM 634 NE ARG A 40 -8.344 -14.001 -9.224 1.00 45.44 N ATOM 635 CZ ARG A 40 -9.002 -12.987 -8.721 1.00 34.14 C ATOM 636 NH1 ARG A 40 -8.414 -11.849 -8.543 1.00 72.41 N ATOM 637 NH2 ARG A 40 -10.229 -13.128 -8.330 1.00 55.41 N ATOM 0 H ARG A 40 -4.334 -16.074 -13.383 1.00 4.21 H new ATOM 0 HA ARG A 40 -6.711 -14.386 -13.857 1.00 21.02 H new ATOM 0 HB2 ARG A 40 -4.819 -14.457 -11.491 1.00 62.45 H new ATOM 0 HB3 ARG A 40 -5.636 -12.968 -11.923 1.00 62.45 H new ATOM 0 HG2 ARG A 40 -7.841 -14.231 -11.762 1.00 24.52 H new ATOM 0 HG3 ARG A 40 -6.944 -15.596 -11.128 1.00 24.52 H new ATOM 0 HD2 ARG A 40 -6.286 -14.402 -9.161 1.00 1.44 H new ATOM 0 HD3 ARG A 40 -6.708 -12.850 -9.857 1.00 1.44 H new ATOM 0 HE ARG A 40 -8.791 -14.918 -9.208 1.00 45.44 H new ATOM 0 HH11 ARG A 40 -7.432 -11.737 -8.795 1.00 72.41 H new ATOM 0 HH12 ARG A 40 -8.932 -11.063 -8.151 1.00 72.41 H new ATOM 0 HH21 ARG A 40 -10.690 -14.034 -8.413 1.00 55.41 H new ATOM 0 HH22 ARG A 40 -10.734 -12.333 -7.939 1.00 55.41 H new ATOM 651 N GLU A 41 -5.255 -12.345 -14.532 1.00 42.44 N ATOM 652 CA GLU A 41 -4.462 -11.324 -15.228 1.00 21.13 C ATOM 653 C GLU A 41 -3.189 -10.946 -14.445 1.00 2.34 C ATOM 654 O GLU A 41 -2.099 -10.907 -15.006 1.00 3.10 O ATOM 655 CB GLU A 41 -5.325 -10.079 -15.472 1.00 54.04 C ATOM 656 CG GLU A 41 -6.025 -9.566 -14.216 1.00 43.12 C ATOM 657 CD GLU A 41 -6.916 -8.369 -14.484 1.00 1.53 C ATOM 658 OE1 GLU A 41 -7.918 -8.523 -15.211 1.00 62.33 O ATOM 659 OE2 GLU A 41 -6.612 -7.269 -13.981 1.00 61.24 O ATOM 0 H GLU A 41 -6.195 -12.041 -14.279 1.00 42.44 H new ATOM 0 HA GLU A 41 -4.141 -11.743 -16.182 1.00 21.13 H new ATOM 0 HB2 GLU A 41 -4.697 -9.286 -15.878 1.00 54.04 H new ATOM 0 HB3 GLU A 41 -6.076 -10.310 -16.228 1.00 54.04 H new ATOM 0 HG2 GLU A 41 -6.624 -10.369 -13.786 1.00 43.12 H new ATOM 0 HG3 GLU A 41 -5.275 -9.295 -13.473 1.00 43.12 H new ATOM 666 N GLY A 42 -3.338 -10.675 -13.148 1.00 55.33 N ATOM 667 CA GLY A 42 -2.198 -10.297 -12.315 1.00 64.45 C ATOM 668 C GLY A 42 -1.753 -8.845 -12.500 1.00 24.34 C ATOM 669 O GLY A 42 -1.097 -8.510 -13.482 1.00 25.44 O ATOM 0 H GLY A 42 -4.230 -10.710 -12.655 1.00 55.33 H new ATOM 0 HA2 GLY A 42 -2.456 -10.458 -11.268 1.00 64.45 H new ATOM 0 HA3 GLY A 42 -1.360 -10.956 -12.542 1.00 64.45 H new ATOM 673 N LYS A 43 -2.113 -7.979 -11.554 1.00 14.43 N ATOM 674 CA LYS A 43 -1.671 -6.577 -11.566 1.00 72.55 C ATOM 675 C LYS A 43 -0.956 -6.184 -10.262 1.00 20.14 C ATOM 676 O LYS A 43 -1.057 -6.875 -9.248 1.00 63.15 O ATOM 677 CB LYS A 43 -2.864 -5.633 -11.791 1.00 23.44 C ATOM 678 CG LYS A 43 -3.439 -5.660 -13.205 1.00 60.00 C ATOM 679 CD LYS A 43 -4.627 -4.708 -13.346 1.00 31.20 C ATOM 680 CE LYS A 43 -4.939 -4.387 -14.804 1.00 61.01 C ATOM 681 NZ LYS A 43 -5.169 -5.607 -15.622 1.00 24.41 N ATOM 0 H LYS A 43 -2.712 -8.221 -10.765 1.00 14.43 H new ATOM 0 HA LYS A 43 -0.962 -6.479 -12.388 1.00 72.55 H new ATOM 0 HB2 LYS A 43 -3.654 -5.893 -11.087 1.00 23.44 H new ATOM 0 HB3 LYS A 43 -2.553 -4.614 -11.559 1.00 23.44 H new ATOM 0 HG2 LYS A 43 -2.663 -5.384 -13.919 1.00 60.00 H new ATOM 0 HG3 LYS A 43 -3.753 -6.674 -13.452 1.00 60.00 H new ATOM 0 HD2 LYS A 43 -5.505 -5.154 -12.878 1.00 31.20 H new ATOM 0 HD3 LYS A 43 -4.415 -3.783 -12.810 1.00 31.20 H new ATOM 0 HE2 LYS A 43 -5.823 -3.751 -14.851 1.00 61.01 H new ATOM 0 HE3 LYS A 43 -4.114 -3.818 -15.231 1.00 61.01 H new ATOM 0 HZ1 LYS A 43 -5.921 -5.423 -16.316 1.00 24.41 H new ATOM 0 HZ2 LYS A 43 -4.292 -5.861 -16.121 1.00 24.41 H new ATOM 0 HZ3 LYS A 43 -5.455 -6.392 -15.002 1.00 24.41 H new ATOM 695 N LEU A 44 -0.226 -5.072 -10.307 1.00 14.34 N ATOM 696 CA LEU A 44 0.398 -4.487 -9.113 1.00 74.24 C ATOM 697 C LEU A 44 0.389 -2.950 -9.200 1.00 52.31 C ATOM 698 O LEU A 44 0.648 -2.375 -10.256 1.00 35.22 O ATOM 699 CB LEU A 44 1.828 -5.041 -8.920 1.00 13.10 C ATOM 700 CG LEU A 44 2.804 -4.891 -10.114 1.00 64.23 C ATOM 701 CD1 LEU A 44 3.441 -3.501 -10.154 1.00 71.35 C ATOM 702 CD2 LEU A 44 3.884 -5.973 -10.071 1.00 62.05 C ATOM 0 H LEU A 44 -0.048 -4.550 -11.165 1.00 14.34 H new ATOM 0 HA LEU A 44 -0.184 -4.771 -8.236 1.00 74.24 H new ATOM 0 HB2 LEU A 44 2.270 -4.545 -8.056 1.00 13.10 H new ATOM 0 HB3 LEU A 44 1.751 -6.100 -8.675 1.00 13.10 H new ATOM 0 HG LEU A 44 2.222 -5.014 -11.027 1.00 64.23 H new ATOM 0 HD11 LEU A 44 4.119 -3.436 -11.005 1.00 71.35 H new ATOM 0 HD12 LEU A 44 2.661 -2.746 -10.252 1.00 71.35 H new ATOM 0 HD13 LEU A 44 3.998 -3.329 -9.233 1.00 71.35 H new ATOM 0 HD21 LEU A 44 4.558 -5.848 -10.919 1.00 62.05 H new ATOM 0 HD22 LEU A 44 4.449 -5.887 -9.143 1.00 62.05 H new ATOM 0 HD23 LEU A 44 3.416 -6.956 -10.121 1.00 62.05 H new ATOM 714 N ALA A 45 0.065 -2.284 -8.097 1.00 51.24 N ATOM 715 CA ALA A 45 -0.037 -0.817 -8.079 1.00 34.25 C ATOM 716 C ALA A 45 0.910 -0.188 -7.050 1.00 54.33 C ATOM 717 O ALA A 45 1.280 -0.821 -6.061 1.00 51.52 O ATOM 718 CB ALA A 45 -1.475 -0.397 -7.799 1.00 14.40 C ATOM 0 H ALA A 45 -0.133 -2.730 -7.201 1.00 51.24 H new ATOM 0 HA ALA A 45 0.262 -0.453 -9.062 1.00 34.25 H new ATOM 0 HB1 ALA A 45 -1.541 0.691 -7.788 1.00 14.40 H new ATOM 0 HB2 ALA A 45 -2.128 -0.792 -8.578 1.00 14.40 H new ATOM 0 HB3 ALA A 45 -1.787 -0.789 -6.831 1.00 14.40 H new ATOM 724 N ASN A 46 1.292 1.067 -7.284 1.00 22.33 N ATOM 725 CA ASN A 46 2.206 1.786 -6.385 1.00 73.25 C ATOM 726 C ASN A 46 1.573 3.094 -5.881 1.00 65.24 C ATOM 727 O ASN A 46 1.381 4.039 -6.646 1.00 54.45 O ATOM 728 CB ASN A 46 3.526 2.097 -7.104 1.00 71.25 C ATOM 729 CG ASN A 46 4.238 0.846 -7.584 1.00 0.11 C ATOM 730 OD1 ASN A 46 5.071 0.280 -6.886 1.00 5.52 O ATOM 731 ND2 ASN A 46 3.918 0.402 -8.782 1.00 31.52 N ATOM 0 H ASN A 46 0.984 1.612 -8.090 1.00 22.33 H new ATOM 0 HA ASN A 46 2.404 1.143 -5.527 1.00 73.25 H new ATOM 0 HB2 ASN A 46 3.327 2.747 -7.956 1.00 71.25 H new ATOM 0 HB3 ASN A 46 4.182 2.648 -6.430 1.00 71.25 H new ATOM 0 HD21 ASN A 46 4.368 -0.435 -9.153 1.00 31.52 H new ATOM 0 HD22 ASN A 46 3.220 0.895 -9.339 1.00 31.52 H new ATOM 738 N VAL A 47 1.252 3.143 -4.592 1.00 44.53 N ATOM 739 CA VAL A 47 0.667 4.340 -3.981 1.00 51.02 C ATOM 740 C VAL A 47 1.665 5.023 -3.036 1.00 61.32 C ATOM 741 O VAL A 47 2.201 4.398 -2.120 1.00 72.44 O ATOM 742 CB VAL A 47 -0.631 3.999 -3.203 1.00 22.11 C ATOM 743 CG1 VAL A 47 -1.224 5.250 -2.556 1.00 54.32 C ATOM 744 CG2 VAL A 47 -1.651 3.328 -4.124 1.00 4.15 C ATOM 0 H VAL A 47 1.386 2.366 -3.945 1.00 44.53 H new ATOM 0 HA VAL A 47 0.421 5.025 -4.792 1.00 51.02 H new ATOM 0 HB VAL A 47 -0.376 3.298 -2.408 1.00 22.11 H new ATOM 0 HG11 VAL A 47 -2.133 4.984 -2.017 1.00 54.32 H new ATOM 0 HG12 VAL A 47 -0.501 5.677 -1.861 1.00 54.32 H new ATOM 0 HG13 VAL A 47 -1.461 5.982 -3.328 1.00 54.32 H new ATOM 0 HG21 VAL A 47 -2.554 3.097 -3.559 1.00 4.15 H new ATOM 0 HG22 VAL A 47 -1.898 4.001 -4.945 1.00 4.15 H new ATOM 0 HG23 VAL A 47 -1.228 2.407 -4.525 1.00 4.15 H new ATOM 754 N ILE A 48 1.912 6.308 -3.266 1.00 64.43 N ATOM 755 CA ILE A 48 2.842 7.077 -2.440 1.00 42.43 C ATOM 756 C ILE A 48 2.099 7.789 -1.301 1.00 24.33 C ATOM 757 O ILE A 48 1.353 8.747 -1.529 1.00 62.45 O ATOM 758 CB ILE A 48 3.614 8.125 -3.284 1.00 73.23 C ATOM 759 CG1 ILE A 48 4.349 7.441 -4.452 1.00 33.11 C ATOM 760 CG2 ILE A 48 4.596 8.911 -2.411 1.00 31.23 C ATOM 761 CD1 ILE A 48 5.353 6.389 -4.021 1.00 1.50 C ATOM 0 H ILE A 48 1.480 6.843 -4.020 1.00 64.43 H new ATOM 0 HA ILE A 48 3.558 6.371 -2.018 1.00 42.43 H new ATOM 0 HB ILE A 48 2.892 8.830 -3.698 1.00 73.23 H new ATOM 0 HG12 ILE A 48 3.613 6.978 -5.109 1.00 33.11 H new ATOM 0 HG13 ILE A 48 4.865 8.202 -5.038 1.00 33.11 H new ATOM 0 HG21 ILE A 48 5.126 9.640 -3.025 1.00 31.23 H new ATOM 0 HG22 ILE A 48 4.049 9.429 -1.624 1.00 31.23 H new ATOM 0 HG23 ILE A 48 5.314 8.224 -1.962 1.00 31.23 H new ATOM 0 HD11 ILE A 48 5.827 5.956 -4.902 1.00 1.50 H new ATOM 0 HD12 ILE A 48 6.113 6.849 -3.389 1.00 1.50 H new ATOM 0 HD13 ILE A 48 4.842 5.606 -3.462 1.00 1.50 H new ATOM 773 N ILE A 49 2.301 7.304 -0.077 1.00 62.00 N ATOM 774 CA ILE A 49 1.646 7.872 1.106 1.00 63.12 C ATOM 775 C ILE A 49 2.663 8.570 2.023 1.00 23.12 C ATOM 776 O ILE A 49 3.768 8.073 2.237 1.00 51.14 O ATOM 777 CB ILE A 49 0.888 6.781 1.910 1.00 33.41 C ATOM 778 CG1 ILE A 49 1.849 5.664 2.364 1.00 2.34 C ATOM 779 CG2 ILE A 49 -0.260 6.206 1.076 1.00 63.22 C ATOM 780 CD1 ILE A 49 1.190 4.576 3.190 1.00 45.22 C ATOM 0 H ILE A 49 2.916 6.515 0.124 1.00 62.00 H new ATOM 0 HA ILE A 49 0.927 8.609 0.749 1.00 63.12 H new ATOM 0 HB ILE A 49 0.468 7.243 2.803 1.00 33.41 H new ATOM 0 HG12 ILE A 49 2.304 5.211 1.483 1.00 2.34 H new ATOM 0 HG13 ILE A 49 2.656 6.109 2.946 1.00 2.34 H new ATOM 0 HG21 ILE A 49 -0.782 5.443 1.653 1.00 63.22 H new ATOM 0 HG22 ILE A 49 -0.956 7.004 0.816 1.00 63.22 H new ATOM 0 HG23 ILE A 49 0.140 5.762 0.164 1.00 63.22 H new ATOM 0 HD11 ILE A 49 1.934 3.830 3.469 1.00 45.22 H new ATOM 0 HD12 ILE A 49 0.760 5.013 4.091 1.00 45.22 H new ATOM 0 HD13 ILE A 49 0.402 4.102 2.605 1.00 45.22 H new ATOM 792 N ALA A 50 2.291 9.729 2.557 1.00 65.42 N ATOM 793 CA ALA A 50 3.173 10.486 3.453 1.00 21.11 C ATOM 794 C ALA A 50 2.548 10.659 4.843 1.00 61.22 C ATOM 795 O ALA A 50 1.410 11.104 4.973 1.00 43.24 O ATOM 796 CB ALA A 50 3.499 11.848 2.846 1.00 71.02 C ATOM 0 H ALA A 50 1.386 10.168 2.388 1.00 65.42 H new ATOM 0 HA ALA A 50 4.096 9.918 3.571 1.00 21.11 H new ATOM 0 HB1 ALA A 50 4.154 12.400 3.520 1.00 71.02 H new ATOM 0 HB2 ALA A 50 3.999 11.709 1.888 1.00 71.02 H new ATOM 0 HB3 ALA A 50 2.577 12.410 2.696 1.00 71.02 H new ATOM 802 N ASP A 51 3.295 10.304 5.879 1.00 42.32 N ATOM 803 CA ASP A 51 2.843 10.469 7.263 1.00 73.44 C ATOM 804 C ASP A 51 3.770 11.434 8.020 1.00 42.11 C ATOM 805 O ASP A 51 4.867 11.745 7.556 1.00 64.55 O ATOM 806 CB ASP A 51 2.791 9.103 7.963 1.00 62.23 C ATOM 807 CG ASP A 51 2.351 9.212 9.414 1.00 51.42 C ATOM 808 OD1 ASP A 51 1.165 9.513 9.660 1.00 11.21 O ATOM 809 OD2 ASP A 51 3.198 9.025 10.315 1.00 1.33 O ATOM 0 H ASP A 51 4.226 9.896 5.791 1.00 42.32 H new ATOM 0 HA ASP A 51 1.840 10.897 7.259 1.00 73.44 H new ATOM 0 HB2 ASP A 51 2.104 8.449 7.426 1.00 62.23 H new ATOM 0 HB3 ASP A 51 3.776 8.637 7.919 1.00 62.23 H new ATOM 814 N ASP A 52 3.319 11.908 9.181 1.00 61.53 N ATOM 815 CA ASP A 52 4.121 12.805 10.023 1.00 33.10 C ATOM 816 C ASP A 52 5.482 12.191 10.402 1.00 52.45 C ATOM 817 O ASP A 52 6.429 12.914 10.710 1.00 1.41 O ATOM 818 CB ASP A 52 3.340 13.176 11.298 1.00 13.45 C ATOM 819 CG ASP A 52 2.781 14.585 11.244 1.00 15.14 C ATOM 820 OD1 ASP A 52 3.490 15.522 11.670 1.00 23.03 O ATOM 821 OD2 ASP A 52 1.644 14.768 10.762 1.00 54.03 O ATOM 0 H ASP A 52 2.400 11.687 9.564 1.00 61.53 H new ATOM 0 HA ASP A 52 4.319 13.703 9.438 1.00 33.10 H new ATOM 0 HB2 ASP A 52 2.523 12.469 11.439 1.00 13.45 H new ATOM 0 HB3 ASP A 52 3.996 13.081 12.163 1.00 13.45 H new ATOM 826 N THR A 53 5.576 10.863 10.390 1.00 55.50 N ATOM 827 CA THR A 53 6.813 10.176 10.793 1.00 73.43 C ATOM 828 C THR A 53 7.652 9.703 9.594 1.00 44.40 C ATOM 829 O THR A 53 8.682 9.049 9.776 1.00 62.21 O ATOM 830 CB THR A 53 6.512 8.956 11.698 1.00 73.31 C ATOM 831 OG1 THR A 53 5.788 7.953 10.966 1.00 44.43 O ATOM 832 CG2 THR A 53 5.702 9.373 12.923 1.00 21.12 C ATOM 0 H THR A 53 4.819 10.240 10.109 1.00 55.50 H new ATOM 0 HA THR A 53 7.390 10.917 11.346 1.00 73.43 H new ATOM 0 HB THR A 53 7.465 8.544 12.029 1.00 73.31 H new ATOM 0 HG1 THR A 53 4.900 8.295 10.734 1.00 44.43 H new ATOM 0 HG21 THR A 53 5.503 8.499 13.543 1.00 21.12 H new ATOM 0 HG22 THR A 53 6.266 10.106 13.500 1.00 21.12 H new ATOM 0 HG23 THR A 53 4.757 9.812 12.602 1.00 21.12 H new ATOM 840 N GLY A 54 7.227 10.038 8.372 1.00 71.22 N ATOM 841 CA GLY A 54 7.965 9.615 7.179 1.00 41.34 C ATOM 842 C GLY A 54 7.063 9.264 5.996 1.00 50.34 C ATOM 843 O GLY A 54 5.845 9.162 6.145 1.00 20.32 O ATOM 0 H GLY A 54 6.391 10.591 8.184 1.00 71.22 H new ATOM 0 HA2 GLY A 54 8.647 10.412 6.882 1.00 41.34 H new ATOM 0 HA3 GLY A 54 8.577 8.748 7.429 1.00 41.34 H new ATOM 847 N GLU A 55 7.657 9.103 4.807 1.00 53.21 N ATOM 848 CA GLU A 55 6.906 8.700 3.604 1.00 53.40 C ATOM 849 C GLU A 55 7.140 7.211 3.281 1.00 62.12 C ATOM 850 O GLU A 55 8.217 6.671 3.540 1.00 5.14 O ATOM 851 CB GLU A 55 7.316 9.551 2.384 1.00 4.24 C ATOM 852 CG GLU A 55 7.590 11.026 2.689 1.00 24.51 C ATOM 853 CD GLU A 55 9.058 11.301 2.995 1.00 71.13 C ATOM 854 OE1 GLU A 55 9.824 11.576 2.045 1.00 11.32 O ATOM 855 OE2 GLU A 55 9.459 11.227 4.176 1.00 43.01 O ATOM 0 H GLU A 55 8.655 9.245 4.649 1.00 53.21 H new ATOM 0 HA GLU A 55 5.849 8.861 3.814 1.00 53.40 H new ATOM 0 HB2 GLU A 55 8.211 9.115 1.939 1.00 4.24 H new ATOM 0 HB3 GLU A 55 6.526 9.491 1.635 1.00 4.24 H new ATOM 0 HG2 GLU A 55 7.281 11.632 1.838 1.00 24.51 H new ATOM 0 HG3 GLU A 55 6.982 11.336 3.539 1.00 24.51 H new ATOM 862 N LEU A 56 6.135 6.554 2.697 1.00 44.31 N ATOM 863 CA LEU A 56 6.232 5.127 2.362 1.00 23.02 C ATOM 864 C LEU A 56 5.599 4.821 0.993 1.00 1.45 C ATOM 865 O LEU A 56 4.672 5.504 0.551 1.00 74.13 O ATOM 866 CB LEU A 56 5.549 4.279 3.446 1.00 3.24 C ATOM 867 CG LEU A 56 5.758 2.760 3.322 1.00 33.42 C ATOM 868 CD1 LEU A 56 7.222 2.395 3.548 1.00 60.42 C ATOM 869 CD2 LEU A 56 4.856 2.009 4.293 1.00 15.14 C ATOM 0 H LEU A 56 5.245 6.985 2.446 1.00 44.31 H new ATOM 0 HA LEU A 56 7.291 4.874 2.311 1.00 23.02 H new ATOM 0 HB2 LEU A 56 5.916 4.601 4.421 1.00 3.24 H new ATOM 0 HB3 LEU A 56 4.479 4.485 3.424 1.00 3.24 H new ATOM 0 HG LEU A 56 5.487 2.462 2.309 1.00 33.42 H new ATOM 0 HD11 LEU A 56 7.346 1.316 3.456 1.00 60.42 H new ATOM 0 HD12 LEU A 56 7.841 2.897 2.804 1.00 60.42 H new ATOM 0 HD13 LEU A 56 7.526 2.711 4.546 1.00 60.42 H new ATOM 0 HD21 LEU A 56 5.021 0.937 4.188 1.00 15.14 H new ATOM 0 HD22 LEU A 56 5.087 2.313 5.314 1.00 15.14 H new ATOM 0 HD23 LEU A 56 3.813 2.239 4.073 1.00 15.14 H new ATOM 881 N ARG A 57 6.114 3.789 0.330 1.00 51.24 N ATOM 882 CA ARG A 57 5.578 3.333 -0.959 1.00 63.11 C ATOM 883 C ARG A 57 4.725 2.060 -0.793 1.00 63.25 C ATOM 884 O ARG A 57 5.251 0.975 -0.553 1.00 73.32 O ATOM 885 CB ARG A 57 6.740 3.074 -1.928 1.00 25.13 C ATOM 886 CG ARG A 57 6.335 2.409 -3.242 1.00 13.44 C ATOM 887 CD ARG A 57 7.552 2.129 -4.114 1.00 20.21 C ATOM 888 NE ARG A 57 7.229 1.299 -5.273 1.00 11.43 N ATOM 889 CZ ARG A 57 8.123 0.808 -6.085 1.00 72.42 C ATOM 890 NH1 ARG A 57 9.380 1.065 -5.915 1.00 43.34 N ATOM 891 NH2 ARG A 57 7.759 0.060 -7.074 1.00 61.53 N ATOM 0 H ARG A 57 6.910 3.245 0.664 1.00 51.24 H new ATOM 0 HA ARG A 57 4.931 4.112 -1.362 1.00 63.11 H new ATOM 0 HB2 ARG A 57 7.228 4.023 -2.151 1.00 25.13 H new ATOM 0 HB3 ARG A 57 7.478 2.445 -1.430 1.00 25.13 H new ATOM 0 HG2 ARG A 57 5.810 1.476 -3.034 1.00 13.44 H new ATOM 0 HG3 ARG A 57 5.639 3.053 -3.780 1.00 13.44 H new ATOM 0 HD2 ARG A 57 7.977 3.073 -4.454 1.00 20.21 H new ATOM 0 HD3 ARG A 57 8.317 1.632 -3.517 1.00 20.21 H new ATOM 0 HE ARG A 57 6.247 1.092 -5.457 1.00 11.43 H new ATOM 0 HH11 ARG A 57 9.679 1.657 -5.140 1.00 43.34 H new ATOM 0 HH12 ARG A 57 10.071 0.676 -6.556 1.00 43.34 H new ATOM 0 HH21 ARG A 57 6.771 -0.147 -7.220 1.00 61.53 H new ATOM 0 HH22 ARG A 57 8.460 -0.323 -7.708 1.00 61.53 H new ATOM 905 N ALA A 58 3.409 2.199 -0.920 1.00 1.31 N ATOM 906 CA ALA A 58 2.491 1.060 -0.789 1.00 31.52 C ATOM 907 C ALA A 58 2.363 0.276 -2.106 1.00 62.11 C ATOM 908 O ALA A 58 2.082 0.853 -3.157 1.00 34.30 O ATOM 909 CB ALA A 58 1.121 1.550 -0.333 1.00 31.01 C ATOM 0 H ALA A 58 2.949 3.088 -1.114 1.00 1.31 H new ATOM 0 HA ALA A 58 2.903 0.382 -0.042 1.00 31.52 H new ATOM 0 HB1 ALA A 58 0.444 0.701 -0.238 1.00 31.01 H new ATOM 0 HB2 ALA A 58 1.216 2.049 0.631 1.00 31.01 H new ATOM 0 HB3 ALA A 58 0.723 2.251 -1.067 1.00 31.01 H new ATOM 915 N VAL A 59 2.570 -1.038 -2.041 1.00 73.13 N ATOM 916 CA VAL A 59 2.478 -1.908 -3.225 1.00 10.30 C ATOM 917 C VAL A 59 1.216 -2.790 -3.176 1.00 44.21 C ATOM 918 O VAL A 59 1.138 -3.748 -2.401 1.00 11.34 O ATOM 919 CB VAL A 59 3.731 -2.815 -3.358 1.00 61.04 C ATOM 920 CG1 VAL A 59 3.654 -3.670 -4.626 1.00 44.45 C ATOM 921 CG2 VAL A 59 5.009 -1.974 -3.344 1.00 52.23 C ATOM 0 H VAL A 59 2.804 -1.531 -1.179 1.00 73.13 H new ATOM 0 HA VAL A 59 2.420 -1.253 -4.094 1.00 10.30 H new ATOM 0 HB VAL A 59 3.757 -3.488 -2.501 1.00 61.04 H new ATOM 0 HG11 VAL A 59 4.543 -4.297 -4.697 1.00 44.45 H new ATOM 0 HG12 VAL A 59 2.767 -4.302 -4.585 1.00 44.45 H new ATOM 0 HG13 VAL A 59 3.597 -3.021 -5.500 1.00 44.45 H new ATOM 0 HG21 VAL A 59 5.876 -2.628 -3.438 1.00 52.23 H new ATOM 0 HG22 VAL A 59 4.992 -1.272 -4.178 1.00 52.23 H new ATOM 0 HG23 VAL A 59 5.071 -1.422 -2.406 1.00 52.23 H new ATOM 931 N PHE A 60 0.233 -2.466 -4.015 1.00 52.33 N ATOM 932 CA PHE A 60 -1.034 -3.208 -4.054 1.00 64.31 C ATOM 933 C PHE A 60 -1.000 -4.330 -5.104 1.00 32.30 C ATOM 934 O PHE A 60 -1.057 -4.076 -6.306 1.00 41.14 O ATOM 935 CB PHE A 60 -2.206 -2.259 -4.343 1.00 21.34 C ATOM 936 CG PHE A 60 -2.555 -1.342 -3.193 1.00 43.50 C ATOM 937 CD1 PHE A 60 -1.746 -0.259 -2.879 1.00 55.22 C ATOM 938 CD2 PHE A 60 -3.700 -1.559 -2.437 1.00 43.23 C ATOM 939 CE1 PHE A 60 -2.070 0.584 -1.834 1.00 61.23 C ATOM 940 CE2 PHE A 60 -4.026 -0.716 -1.390 1.00 1.43 C ATOM 941 CZ PHE A 60 -3.211 0.357 -1.090 1.00 71.23 C ATOM 0 H PHE A 60 0.286 -1.694 -4.679 1.00 52.33 H new ATOM 0 HA PHE A 60 -1.175 -3.664 -3.074 1.00 64.31 H new ATOM 0 HB2 PHE A 60 -1.962 -1.653 -5.216 1.00 21.34 H new ATOM 0 HB3 PHE A 60 -3.084 -2.851 -4.601 1.00 21.34 H new ATOM 0 HD1 PHE A 60 -0.853 -0.073 -3.458 1.00 55.22 H new ATOM 0 HD2 PHE A 60 -4.343 -2.395 -2.669 1.00 43.23 H new ATOM 0 HE1 PHE A 60 -1.430 1.422 -1.598 1.00 61.23 H new ATOM 0 HE2 PHE A 60 -4.917 -0.897 -0.808 1.00 1.43 H new ATOM 0 HZ PHE A 60 -3.465 1.018 -0.275 1.00 71.23 H new ATOM 951 N TRP A 61 -0.901 -5.567 -4.630 1.00 25.22 N ATOM 952 CA TRP A 61 -0.877 -6.752 -5.496 1.00 61.23 C ATOM 953 C TRP A 61 -2.262 -7.085 -6.080 1.00 44.14 C ATOM 954 O TRP A 61 -3.283 -6.589 -5.613 1.00 71.01 O ATOM 955 CB TRP A 61 -0.294 -7.955 -4.741 1.00 75.31 C ATOM 956 CG TRP A 61 1.181 -7.819 -4.490 1.00 52.43 C ATOM 957 CD1 TRP A 61 1.791 -7.404 -3.340 1.00 34.13 C ATOM 958 CD2 TRP A 61 2.231 -8.081 -5.429 1.00 64.13 C ATOM 959 NE1 TRP A 61 3.156 -7.398 -3.509 1.00 32.24 N ATOM 960 CE2 TRP A 61 3.450 -7.810 -4.780 1.00 75.51 C ATOM 961 CE3 TRP A 61 2.257 -8.520 -6.758 1.00 13.14 C ATOM 962 CZ2 TRP A 61 4.680 -7.966 -5.413 1.00 23.33 C ATOM 963 CZ3 TRP A 61 3.481 -8.673 -7.384 1.00 53.32 C ATOM 964 CH2 TRP A 61 4.678 -8.396 -6.712 1.00 44.22 C ATOM 0 H TRP A 61 -0.835 -5.782 -3.635 1.00 25.22 H new ATOM 0 HA TRP A 61 -0.231 -6.520 -6.343 1.00 61.23 H new ATOM 0 HB2 TRP A 61 -0.812 -8.068 -3.789 1.00 75.31 H new ATOM 0 HB3 TRP A 61 -0.479 -8.864 -5.314 1.00 75.31 H new ATOM 0 HD1 TRP A 61 1.277 -7.122 -2.433 1.00 34.13 H new ATOM 0 HE1 TRP A 61 3.839 -7.130 -2.801 1.00 32.24 H new ATOM 0 HE3 TRP A 61 1.339 -8.735 -7.285 1.00 13.14 H new ATOM 0 HZ2 TRP A 61 5.605 -7.755 -4.896 1.00 23.33 H new ATOM 0 HZ3 TRP A 61 3.514 -9.012 -8.409 1.00 53.32 H new ATOM 0 HH2 TRP A 61 5.618 -8.524 -7.229 1.00 44.22 H new ATOM 975 N THR A 62 -2.264 -7.910 -7.129 1.00 3.22 N ATOM 976 CA THR A 62 -3.475 -8.263 -7.900 1.00 51.13 C ATOM 977 C THR A 62 -4.753 -8.420 -7.056 1.00 3.34 C ATOM 978 O THR A 62 -5.802 -7.874 -7.406 1.00 33.20 O ATOM 979 CB THR A 62 -3.250 -9.576 -8.696 1.00 50.40 C ATOM 980 OG1 THR A 62 -4.478 -10.024 -9.291 1.00 52.42 O ATOM 981 CG2 THR A 62 -2.680 -10.680 -7.806 1.00 70.52 C ATOM 0 H THR A 62 -1.418 -8.361 -7.477 1.00 3.22 H new ATOM 0 HA THR A 62 -3.635 -7.415 -8.566 1.00 51.13 H new ATOM 0 HB THR A 62 -2.526 -9.359 -9.482 1.00 50.40 H new ATOM 0 HG1 THR A 62 -4.945 -10.620 -8.669 1.00 52.42 H new ATOM 0 HG21 THR A 62 -2.535 -11.585 -8.396 1.00 70.52 H new ATOM 0 HG22 THR A 62 -1.723 -10.358 -7.395 1.00 70.52 H new ATOM 0 HG23 THR A 62 -3.374 -10.886 -6.991 1.00 70.52 H new ATOM 989 N GLU A 63 -4.675 -9.150 -5.954 1.00 25.32 N ATOM 990 CA GLU A 63 -5.863 -9.436 -5.140 1.00 74.13 C ATOM 991 C GLU A 63 -6.268 -8.232 -4.270 1.00 54.24 C ATOM 992 O GLU A 63 -7.393 -8.157 -3.774 1.00 50.53 O ATOM 993 CB GLU A 63 -5.605 -10.675 -4.269 1.00 11.41 C ATOM 994 CG GLU A 63 -5.111 -11.883 -5.065 1.00 71.20 C ATOM 995 CD GLU A 63 -6.049 -12.266 -6.204 1.00 45.22 C ATOM 996 OE1 GLU A 63 -7.018 -13.015 -5.951 1.00 15.33 O ATOM 997 OE2 GLU A 63 -5.829 -11.813 -7.351 1.00 4.13 O ATOM 0 H GLU A 63 -3.810 -9.557 -5.598 1.00 25.32 H new ATOM 0 HA GLU A 63 -6.696 -9.635 -5.814 1.00 74.13 H new ATOM 0 HB2 GLU A 63 -4.868 -10.426 -3.505 1.00 11.41 H new ATOM 0 HB3 GLU A 63 -6.525 -10.943 -3.749 1.00 11.41 H new ATOM 0 HG2 GLU A 63 -4.124 -11.665 -5.472 1.00 71.20 H new ATOM 0 HG3 GLU A 63 -4.998 -12.733 -4.393 1.00 71.20 H new ATOM 1004 N ASN A 64 -5.345 -7.290 -4.101 1.00 41.53 N ATOM 1005 CA ASN A 64 -5.599 -6.075 -3.318 1.00 71.14 C ATOM 1006 C ASN A 64 -5.961 -4.873 -4.213 1.00 5.13 C ATOM 1007 O ASN A 64 -6.290 -3.801 -3.710 1.00 42.12 O ATOM 1008 CB ASN A 64 -4.371 -5.739 -2.470 1.00 44.33 C ATOM 1009 CG ASN A 64 -3.952 -6.896 -1.587 1.00 64.02 C ATOM 1010 OD1 ASN A 64 -3.114 -7.710 -1.964 1.00 71.44 O ATOM 1011 ND2 ASN A 64 -4.536 -6.989 -0.409 1.00 41.52 N ATOM 0 H ASN A 64 -4.406 -7.342 -4.497 1.00 41.53 H new ATOM 0 HA ASN A 64 -6.454 -6.273 -2.672 1.00 71.14 H new ATOM 0 HB2 ASN A 64 -3.543 -5.465 -3.124 1.00 44.33 H new ATOM 0 HB3 ASN A 64 -4.587 -4.870 -1.849 1.00 44.33 H new ATOM 0 HD21 ASN A 64 -4.295 -7.755 0.220 1.00 41.52 H new ATOM 0 HD22 ASN A 64 -5.228 -6.295 -0.127 1.00 41.52 H new ATOM 1018 N ILE A 65 -5.901 -5.053 -5.535 1.00 51.02 N ATOM 1019 CA ILE A 65 -6.262 -3.981 -6.482 1.00 35.04 C ATOM 1020 C ILE A 65 -7.673 -3.432 -6.196 1.00 14.32 C ATOM 1021 O ILE A 65 -7.924 -2.231 -6.315 1.00 4.21 O ATOM 1022 CB ILE A 65 -6.191 -4.477 -7.956 1.00 24.20 C ATOM 1023 CG1 ILE A 65 -4.752 -4.890 -8.326 1.00 63.44 C ATOM 1024 CG2 ILE A 65 -6.704 -3.408 -8.925 1.00 11.21 C ATOM 1025 CD1 ILE A 65 -3.758 -3.744 -8.340 1.00 64.13 C ATOM 0 H ILE A 65 -5.608 -5.924 -5.978 1.00 51.02 H new ATOM 0 HA ILE A 65 -5.535 -3.180 -6.343 1.00 35.04 H new ATOM 0 HB ILE A 65 -6.836 -5.351 -8.042 1.00 24.20 H new ATOM 0 HG12 ILE A 65 -4.409 -5.644 -7.618 1.00 63.44 H new ATOM 0 HG13 ILE A 65 -4.763 -5.359 -9.310 1.00 63.44 H new ATOM 0 HG21 ILE A 65 -6.642 -3.783 -9.947 1.00 11.21 H new ATOM 0 HG22 ILE A 65 -7.741 -3.170 -8.688 1.00 11.21 H new ATOM 0 HG23 ILE A 65 -6.095 -2.509 -8.831 1.00 11.21 H new ATOM 0 HD11 ILE A 65 -2.772 -4.121 -8.610 1.00 64.13 H new ATOM 0 HD12 ILE A 65 -4.073 -2.998 -9.070 1.00 64.13 H new ATOM 0 HD13 ILE A 65 -3.714 -3.288 -7.351 1.00 64.13 H new ATOM 1037 N LYS A 66 -8.580 -4.321 -5.787 1.00 14.50 N ATOM 1038 CA LYS A 66 -9.962 -3.943 -5.450 1.00 23.33 C ATOM 1039 C LYS A 66 -10.018 -2.848 -4.364 1.00 54.24 C ATOM 1040 O LYS A 66 -11.000 -2.110 -4.260 1.00 22.22 O ATOM 1041 CB LYS A 66 -10.731 -5.181 -4.967 1.00 62.12 C ATOM 1042 CG LYS A 66 -10.163 -5.788 -3.685 1.00 32.41 C ATOM 1043 CD LYS A 66 -10.986 -6.980 -3.205 1.00 13.02 C ATOM 1044 CE LYS A 66 -10.463 -7.532 -1.881 1.00 73.12 C ATOM 1045 NZ LYS A 66 -11.277 -8.680 -1.392 1.00 13.41 N ATOM 0 H LYS A 66 -8.384 -5.316 -5.679 1.00 14.50 H new ATOM 0 HA LYS A 66 -10.421 -3.539 -6.352 1.00 23.33 H new ATOM 0 HB2 LYS A 66 -11.773 -4.910 -4.801 1.00 62.12 H new ATOM 0 HB3 LYS A 66 -10.720 -5.936 -5.753 1.00 62.12 H new ATOM 0 HG2 LYS A 66 -9.134 -6.104 -3.858 1.00 32.41 H new ATOM 0 HG3 LYS A 66 -10.136 -5.028 -2.904 1.00 32.41 H new ATOM 0 HD2 LYS A 66 -12.027 -6.680 -3.088 1.00 13.02 H new ATOM 0 HD3 LYS A 66 -10.964 -7.765 -3.961 1.00 13.02 H new ATOM 0 HE2 LYS A 66 -9.427 -7.849 -2.005 1.00 73.12 H new ATOM 0 HE3 LYS A 66 -10.467 -6.740 -1.132 1.00 73.12 H new ATOM 0 HZ1 LYS A 66 -10.887 -9.023 -0.491 1.00 13.41 H new ATOM 0 HZ2 LYS A 66 -12.260 -8.372 -1.249 1.00 13.41 H new ATOM 0 HZ3 LYS A 66 -11.253 -9.447 -2.094 1.00 13.41 H new ATOM 1059 N LEU A 67 -8.956 -2.748 -3.564 1.00 24.12 N ATOM 1060 CA LEU A 67 -8.895 -1.792 -2.454 1.00 52.11 C ATOM 1061 C LEU A 67 -8.634 -0.357 -2.945 1.00 61.31 C ATOM 1062 O LEU A 67 -8.998 0.608 -2.275 1.00 51.43 O ATOM 1063 CB LEU A 67 -7.796 -2.209 -1.465 1.00 74.01 C ATOM 1064 CG LEU A 67 -7.939 -3.626 -0.880 1.00 51.00 C ATOM 1065 CD1 LEU A 67 -6.753 -3.962 0.020 1.00 12.13 C ATOM 1066 CD2 LEU A 67 -9.255 -3.771 -0.117 1.00 31.54 C ATOM 0 H LEU A 67 -8.119 -3.322 -3.664 1.00 24.12 H new ATOM 0 HA LEU A 67 -9.865 -1.802 -1.957 1.00 52.11 H new ATOM 0 HB2 LEU A 67 -6.832 -2.137 -1.968 1.00 74.01 H new ATOM 0 HB3 LEU A 67 -7.780 -1.494 -0.642 1.00 74.01 H new ATOM 0 HG LEU A 67 -7.949 -4.334 -1.709 1.00 51.00 H new ATOM 0 HD11 LEU A 67 -6.875 -4.968 0.422 1.00 12.13 H new ATOM 0 HD12 LEU A 67 -5.831 -3.912 -0.559 1.00 12.13 H new ATOM 0 HD13 LEU A 67 -6.705 -3.246 0.841 1.00 12.13 H new ATOM 0 HD21 LEU A 67 -9.332 -4.781 0.286 1.00 31.54 H new ATOM 0 HD22 LEU A 67 -9.283 -3.050 0.700 1.00 31.54 H new ATOM 0 HD23 LEU A 67 -10.090 -3.586 -0.793 1.00 31.54 H new ATOM 1078 N LEU A 68 -8.017 -0.229 -4.121 1.00 51.32 N ATOM 1079 CA LEU A 68 -7.660 1.084 -4.681 1.00 54.31 C ATOM 1080 C LEU A 68 -8.879 2.010 -4.810 1.00 1.23 C ATOM 1081 O LEU A 68 -8.799 3.201 -4.510 1.00 41.43 O ATOM 1082 CB LEU A 68 -6.999 0.909 -6.057 1.00 34.44 C ATOM 1083 CG LEU A 68 -5.647 0.176 -6.053 1.00 3.03 C ATOM 1084 CD1 LEU A 68 -5.145 -0.039 -7.477 1.00 22.30 C ATOM 1085 CD2 LEU A 68 -4.619 0.949 -5.227 1.00 41.32 C ATOM 0 H LEU A 68 -7.752 -1.019 -4.709 1.00 51.32 H new ATOM 0 HA LEU A 68 -6.959 1.551 -3.988 1.00 54.31 H new ATOM 0 HB2 LEU A 68 -7.686 0.364 -6.704 1.00 34.44 H new ATOM 0 HB3 LEU A 68 -6.857 1.894 -6.501 1.00 34.44 H new ATOM 0 HG LEU A 68 -5.789 -0.802 -5.593 1.00 3.03 H new ATOM 0 HD11 LEU A 68 -4.187 -0.559 -7.451 1.00 22.30 H new ATOM 0 HD12 LEU A 68 -5.868 -0.638 -8.031 1.00 22.30 H new ATOM 0 HD13 LEU A 68 -5.020 0.926 -7.968 1.00 22.30 H new ATOM 0 HD21 LEU A 68 -3.669 0.415 -5.236 1.00 41.32 H new ATOM 0 HD22 LEU A 68 -4.481 1.942 -5.655 1.00 41.32 H new ATOM 0 HD23 LEU A 68 -4.973 1.042 -4.200 1.00 41.32 H new ATOM 1097 N LYS A 69 -10.007 1.457 -5.247 1.00 13.05 N ATOM 1098 CA LYS A 69 -11.228 2.247 -5.467 1.00 10.11 C ATOM 1099 C LYS A 69 -11.956 2.598 -4.154 1.00 13.24 C ATOM 1100 O LYS A 69 -12.916 3.370 -4.161 1.00 54.10 O ATOM 1101 CB LYS A 69 -12.172 1.499 -6.422 1.00 62.24 C ATOM 1102 CG LYS A 69 -12.492 0.072 -5.989 1.00 3.45 C ATOM 1103 CD LYS A 69 -13.347 -0.657 -7.023 1.00 34.42 C ATOM 1104 CE LYS A 69 -13.556 -2.123 -6.655 1.00 64.13 C ATOM 1105 NZ LYS A 69 -14.272 -2.282 -5.363 1.00 13.32 N ATOM 0 H LYS A 69 -10.107 0.464 -5.458 1.00 13.05 H new ATOM 0 HA LYS A 69 -10.924 3.192 -5.918 1.00 10.11 H new ATOM 0 HB2 LYS A 69 -13.103 2.059 -6.508 1.00 62.24 H new ATOM 0 HB3 LYS A 69 -11.722 1.474 -7.415 1.00 62.24 H new ATOM 0 HG2 LYS A 69 -11.563 -0.477 -5.833 1.00 3.45 H new ATOM 0 HG3 LYS A 69 -13.015 0.091 -5.033 1.00 3.45 H new ATOM 0 HD2 LYS A 69 -14.315 -0.162 -7.108 1.00 34.42 H new ATOM 0 HD3 LYS A 69 -12.869 -0.592 -8.000 1.00 34.42 H new ATOM 0 HE2 LYS A 69 -14.122 -2.617 -7.445 1.00 64.13 H new ATOM 0 HE3 LYS A 69 -12.589 -2.622 -6.596 1.00 64.13 H new ATOM 0 HZ1 LYS A 69 -14.481 -3.288 -5.203 1.00 13.32 H new ATOM 0 HZ2 LYS A 69 -13.675 -1.925 -4.589 1.00 13.32 H new ATOM 0 HZ3 LYS A 69 -15.161 -1.744 -5.391 1.00 13.32 H new ATOM 1119 N LYS A 70 -11.497 2.049 -3.029 1.00 53.33 N ATOM 1120 CA LYS A 70 -12.104 2.347 -1.723 1.00 33.14 C ATOM 1121 C LYS A 70 -11.781 3.776 -1.258 1.00 54.12 C ATOM 1122 O LYS A 70 -12.557 4.389 -0.525 1.00 13.02 O ATOM 1123 CB LYS A 70 -11.626 1.346 -0.663 1.00 44.01 C ATOM 1124 CG LYS A 70 -12.158 -0.070 -0.853 1.00 30.40 C ATOM 1125 CD LYS A 70 -11.634 -1.022 0.221 1.00 14.21 C ATOM 1126 CE LYS A 70 -12.018 -0.576 1.632 1.00 31.13 C ATOM 1127 NZ LYS A 70 -13.489 -0.591 1.849 1.00 1.31 N ATOM 0 H LYS A 70 -10.712 1.399 -2.991 1.00 53.33 H new ATOM 0 HA LYS A 70 -13.184 2.261 -1.845 1.00 33.14 H new ATOM 0 HB2 LYS A 70 -10.536 1.317 -0.673 1.00 44.01 H new ATOM 0 HB3 LYS A 70 -11.926 1.706 0.321 1.00 44.01 H new ATOM 0 HG2 LYS A 70 -13.248 -0.056 -0.826 1.00 30.40 H new ATOM 0 HG3 LYS A 70 -11.869 -0.438 -1.837 1.00 30.40 H new ATOM 0 HD2 LYS A 70 -12.027 -2.022 0.039 1.00 14.21 H new ATOM 0 HD3 LYS A 70 -10.549 -1.088 0.146 1.00 14.21 H new ATOM 0 HE2 LYS A 70 -11.539 -1.231 2.360 1.00 31.13 H new ATOM 0 HE3 LYS A 70 -11.637 0.430 1.809 1.00 31.13 H new ATOM 0 HZ1 LYS A 70 -13.696 -0.347 2.838 1.00 1.31 H new ATOM 0 HZ2 LYS A 70 -13.940 0.103 1.219 1.00 1.31 H new ATOM 0 HZ3 LYS A 70 -13.861 -1.540 1.641 1.00 1.31 H new ATOM 1141 N PHE A 71 -10.634 4.300 -1.685 1.00 43.23 N ATOM 1142 CA PHE A 71 -10.192 5.639 -1.269 1.00 54.33 C ATOM 1143 C PHE A 71 -9.864 6.539 -2.472 1.00 52.12 C ATOM 1144 O PHE A 71 -9.818 6.083 -3.615 1.00 33.02 O ATOM 1145 CB PHE A 71 -8.972 5.530 -0.341 1.00 43.41 C ATOM 1146 CG PHE A 71 -7.813 4.755 -0.927 1.00 63.11 C ATOM 1147 CD1 PHE A 71 -7.747 3.374 -0.795 1.00 50.10 C ATOM 1148 CD2 PHE A 71 -6.787 5.407 -1.602 1.00 24.32 C ATOM 1149 CE1 PHE A 71 -6.687 2.661 -1.324 1.00 32.33 C ATOM 1150 CE2 PHE A 71 -5.726 4.695 -2.133 1.00 12.40 C ATOM 1151 CZ PHE A 71 -5.676 3.321 -1.993 1.00 75.01 C ATOM 0 H PHE A 71 -9.992 3.823 -2.318 1.00 43.23 H new ATOM 0 HA PHE A 71 -11.018 6.103 -0.730 1.00 54.33 H new ATOM 0 HB2 PHE A 71 -8.632 6.534 -0.088 1.00 43.41 H new ATOM 0 HB3 PHE A 71 -9.279 5.053 0.590 1.00 43.41 H new ATOM 0 HD1 PHE A 71 -8.534 2.850 -0.272 1.00 50.10 H new ATOM 0 HD2 PHE A 71 -6.819 6.481 -1.713 1.00 24.32 H new ATOM 0 HE1 PHE A 71 -6.650 1.587 -1.214 1.00 32.33 H new ATOM 0 HE2 PHE A 71 -4.937 5.213 -2.657 1.00 12.40 H new ATOM 0 HZ PHE A 71 -4.848 2.765 -2.406 1.00 75.01 H new ATOM 1161 N ARG A 72 -9.651 7.827 -2.206 1.00 72.40 N ATOM 1162 CA ARG A 72 -9.300 8.795 -3.252 1.00 62.32 C ATOM 1163 C ARG A 72 -7.837 9.238 -3.116 1.00 43.53 C ATOM 1164 O ARG A 72 -7.240 9.124 -2.041 1.00 60.53 O ATOM 1165 CB ARG A 72 -10.202 10.028 -3.141 1.00 23.41 C ATOM 1166 CG ARG A 72 -11.685 9.699 -3.039 1.00 31.43 C ATOM 1167 CD ARG A 72 -12.497 10.928 -2.655 1.00 31.02 C ATOM 1168 NE ARG A 72 -13.850 10.583 -2.232 1.00 42.24 N ATOM 1169 CZ ARG A 72 -14.214 10.468 -0.983 1.00 11.33 C ATOM 1170 NH1 ARG A 72 -13.341 10.578 -0.031 1.00 41.22 N ATOM 1171 NH2 ARG A 72 -15.447 10.218 -0.689 1.00 61.33 N ATOM 0 H ARG A 72 -9.715 8.229 -1.271 1.00 72.40 H new ATOM 0 HA ARG A 72 -9.439 8.314 -4.220 1.00 62.32 H new ATOM 0 HB2 ARG A 72 -9.906 10.605 -2.265 1.00 23.41 H new ATOM 0 HB3 ARG A 72 -10.040 10.664 -4.011 1.00 23.41 H new ATOM 0 HG2 ARG A 72 -12.040 9.309 -3.993 1.00 31.43 H new ATOM 0 HG3 ARG A 72 -11.836 8.914 -2.298 1.00 31.43 H new ATOM 0 HD2 ARG A 72 -11.990 11.459 -1.849 1.00 31.02 H new ATOM 0 HD3 ARG A 72 -12.546 11.609 -3.504 1.00 31.02 H new ATOM 0 HE ARG A 72 -14.553 10.422 -2.954 1.00 42.24 H new ATOM 0 HH11 ARG A 72 -12.362 10.756 -0.255 1.00 41.22 H new ATOM 0 HH12 ARG A 72 -13.633 10.487 0.942 1.00 41.22 H new ATOM 0 HH21 ARG A 72 -16.137 10.110 -1.433 1.00 61.33 H new ATOM 0 HH22 ARG A 72 -15.731 10.128 0.287 1.00 61.33 H new ATOM 1185 N GLU A 73 -7.265 9.759 -4.195 1.00 1.45 N ATOM 1186 CA GLU A 73 -5.912 10.313 -4.140 1.00 62.03 C ATOM 1187 C GLU A 73 -5.903 11.599 -3.293 1.00 71.42 C ATOM 1188 O GLU A 73 -6.129 12.700 -3.804 1.00 4.41 O ATOM 1189 CB GLU A 73 -5.377 10.595 -5.554 1.00 30.31 C ATOM 1190 CG GLU A 73 -3.912 11.025 -5.583 1.00 70.41 C ATOM 1191 CD GLU A 73 -3.423 11.365 -6.981 1.00 72.34 C ATOM 1192 OE1 GLU A 73 -3.623 12.516 -7.417 1.00 62.53 O ATOM 1193 OE2 GLU A 73 -2.843 10.483 -7.651 1.00 44.42 O ATOM 0 H GLU A 73 -7.709 9.811 -5.112 1.00 1.45 H new ATOM 0 HA GLU A 73 -5.256 9.578 -3.673 1.00 62.03 H new ATOM 0 HB2 GLU A 73 -5.495 9.699 -6.163 1.00 30.31 H new ATOM 0 HB3 GLU A 73 -5.984 11.375 -6.014 1.00 30.31 H new ATOM 0 HG2 GLU A 73 -3.780 11.893 -4.937 1.00 70.41 H new ATOM 0 HG3 GLU A 73 -3.296 10.225 -5.172 1.00 70.41 H new ATOM 1200 N GLY A 74 -5.683 11.440 -1.990 1.00 22.35 N ATOM 1201 CA GLY A 74 -5.732 12.571 -1.063 1.00 64.45 C ATOM 1202 C GLY A 74 -6.239 12.179 0.322 1.00 11.13 C ATOM 1203 O GLY A 74 -6.044 12.912 1.295 1.00 22.50 O ATOM 0 H GLY A 74 -5.470 10.544 -1.552 1.00 22.35 H new ATOM 0 HA2 GLY A 74 -4.736 13.003 -0.971 1.00 64.45 H new ATOM 0 HA3 GLY A 74 -6.378 13.345 -1.476 1.00 64.45 H new ATOM 1207 N ASP A 75 -6.897 11.025 0.415 1.00 10.43 N ATOM 1208 CA ASP A 75 -7.433 10.535 1.691 1.00 64.33 C ATOM 1209 C ASP A 75 -6.360 9.833 2.548 1.00 32.20 C ATOM 1210 O ASP A 75 -5.434 9.206 2.032 1.00 24.44 O ATOM 1211 CB ASP A 75 -8.600 9.562 1.451 1.00 15.23 C ATOM 1212 CG ASP A 75 -9.809 10.221 0.808 1.00 21.31 C ATOM 1213 OD1 ASP A 75 -10.089 11.400 1.112 1.00 62.34 O ATOM 1214 OD2 ASP A 75 -10.518 9.545 0.033 1.00 75.21 O ATOM 0 H ASP A 75 -7.074 10.408 -0.378 1.00 10.43 H new ATOM 0 HA ASP A 75 -7.784 11.411 2.236 1.00 64.33 H new ATOM 0 HB2 ASP A 75 -8.258 8.746 0.815 1.00 15.23 H new ATOM 0 HB3 ASP A 75 -8.898 9.121 2.402 1.00 15.23 H new ATOM 1219 N VAL A 76 -6.492 9.965 3.865 1.00 55.43 N ATOM 1220 CA VAL A 76 -5.672 9.212 4.819 1.00 52.04 C ATOM 1221 C VAL A 76 -6.167 7.757 4.932 1.00 34.32 C ATOM 1222 O VAL A 76 -7.347 7.520 5.211 1.00 61.45 O ATOM 1223 CB VAL A 76 -5.718 9.863 6.225 1.00 3.15 C ATOM 1224 CG1 VAL A 76 -4.750 9.171 7.182 1.00 13.31 C ATOM 1225 CG2 VAL A 76 -5.430 11.361 6.137 1.00 34.40 C ATOM 0 H VAL A 76 -7.166 10.593 4.303 1.00 55.43 H new ATOM 0 HA VAL A 76 -4.647 9.224 4.448 1.00 52.04 H new ATOM 0 HB VAL A 76 -6.724 9.736 6.624 1.00 3.15 H new ATOM 0 HG11 VAL A 76 -4.803 9.648 8.161 1.00 13.31 H new ATOM 0 HG12 VAL A 76 -5.021 8.119 7.276 1.00 13.31 H new ATOM 0 HG13 VAL A 76 -3.735 9.251 6.794 1.00 13.31 H new ATOM 0 HG21 VAL A 76 -5.467 11.798 7.135 1.00 34.40 H new ATOM 0 HG22 VAL A 76 -4.439 11.517 5.710 1.00 34.40 H new ATOM 0 HG23 VAL A 76 -6.178 11.839 5.504 1.00 34.40 H new ATOM 1235 N ILE A 77 -5.275 6.786 4.729 1.00 12.14 N ATOM 1236 CA ILE A 77 -5.661 5.365 4.780 1.00 13.22 C ATOM 1237 C ILE A 77 -4.780 4.551 5.741 1.00 43.42 C ATOM 1238 O ILE A 77 -3.650 4.934 6.056 1.00 75.32 O ATOM 1239 CB ILE A 77 -5.601 4.697 3.380 1.00 50.22 C ATOM 1240 CG1 ILE A 77 -4.169 4.744 2.811 1.00 42.42 C ATOM 1241 CG2 ILE A 77 -6.588 5.361 2.424 1.00 33.13 C ATOM 1242 CD1 ILE A 77 -3.998 3.984 1.509 1.00 24.24 C ATOM 0 H ILE A 77 -4.288 6.950 4.529 1.00 12.14 H new ATOM 0 HA ILE A 77 -6.688 5.360 5.146 1.00 13.22 H new ATOM 0 HB ILE A 77 -5.885 3.650 3.489 1.00 50.22 H new ATOM 0 HG12 ILE A 77 -3.886 5.785 2.652 1.00 42.42 H new ATOM 0 HG13 ILE A 77 -3.481 4.336 3.551 1.00 42.42 H new ATOM 0 HG21 ILE A 77 -6.530 4.878 1.448 1.00 33.13 H new ATOM 0 HG22 ILE A 77 -7.599 5.262 2.819 1.00 33.13 H new ATOM 0 HG23 ILE A 77 -6.340 6.417 2.321 1.00 33.13 H new ATOM 0 HD11 ILE A 77 -2.964 4.065 1.174 1.00 24.24 H new ATOM 0 HD12 ILE A 77 -4.248 2.935 1.665 1.00 24.24 H new ATOM 0 HD13 ILE A 77 -4.659 4.406 0.752 1.00 24.24 H new ATOM 1254 N ARG A 78 -5.319 3.426 6.201 1.00 33.02 N ATOM 1255 CA ARG A 78 -4.572 2.473 7.023 1.00 74.22 C ATOM 1256 C ARG A 78 -4.617 1.076 6.388 1.00 13.44 C ATOM 1257 O ARG A 78 -5.678 0.449 6.312 1.00 64.13 O ATOM 1258 CB ARG A 78 -5.148 2.427 8.448 1.00 41.31 C ATOM 1259 CG ARG A 78 -4.374 1.512 9.395 1.00 41.54 C ATOM 1260 CD ARG A 78 -4.847 1.646 10.842 1.00 34.33 C ATOM 1261 NE ARG A 78 -6.200 1.127 11.054 1.00 13.11 N ATOM 1262 CZ ARG A 78 -6.844 1.220 12.189 1.00 20.15 C ATOM 1263 NH1 ARG A 78 -6.325 1.854 13.190 1.00 33.23 N ATOM 1264 NH2 ARG A 78 -8.013 0.691 12.316 1.00 31.15 N ATOM 0 H ARG A 78 -6.283 3.148 6.017 1.00 33.02 H new ATOM 0 HA ARG A 78 -3.534 2.801 7.078 1.00 74.22 H new ATOM 0 HB2 ARG A 78 -5.157 3.436 8.859 1.00 41.31 H new ATOM 0 HB3 ARG A 78 -6.184 2.093 8.401 1.00 41.31 H new ATOM 0 HG2 ARG A 78 -4.488 0.477 9.072 1.00 41.54 H new ATOM 0 HG3 ARG A 78 -3.311 1.749 9.338 1.00 41.54 H new ATOM 0 HD2 ARG A 78 -4.154 1.115 11.495 1.00 34.33 H new ATOM 0 HD3 ARG A 78 -4.817 2.696 11.132 1.00 34.33 H new ATOM 0 HE ARG A 78 -6.667 0.667 10.272 1.00 13.11 H new ATOM 0 HH11 ARG A 78 -5.406 2.287 13.098 1.00 33.23 H new ATOM 0 HH12 ARG A 78 -6.835 1.921 14.071 1.00 33.23 H new ATOM 0 HH21 ARG A 78 -8.438 0.198 11.530 1.00 31.15 H new ATOM 0 HH22 ARG A 78 -8.513 0.765 13.202 1.00 31.15 H new ATOM 1278 N ILE A 79 -3.468 0.603 5.914 1.00 2.44 N ATOM 1279 CA ILE A 79 -3.367 -0.729 5.308 1.00 32.11 C ATOM 1280 C ILE A 79 -3.093 -1.788 6.387 1.00 14.30 C ATOM 1281 O ILE A 79 -2.154 -1.657 7.172 1.00 70.40 O ATOM 1282 CB ILE A 79 -2.247 -0.778 4.238 1.00 20.41 C ATOM 1283 CG1 ILE A 79 -2.417 0.373 3.231 1.00 10.35 C ATOM 1284 CG2 ILE A 79 -2.253 -2.127 3.519 1.00 53.22 C ATOM 1285 CD1 ILE A 79 -1.342 0.421 2.162 1.00 2.44 C ATOM 0 H ILE A 79 -2.589 1.121 5.936 1.00 2.44 H new ATOM 0 HA ILE A 79 -4.319 -0.943 4.822 1.00 32.11 H new ATOM 0 HB ILE A 79 -1.285 -0.660 4.737 1.00 20.41 H new ATOM 0 HG12 ILE A 79 -3.390 0.280 2.749 1.00 10.35 H new ATOM 0 HG13 ILE A 79 -2.419 1.319 3.773 1.00 10.35 H new ATOM 0 HG21 ILE A 79 -1.460 -2.144 2.771 1.00 53.22 H new ATOM 0 HG22 ILE A 79 -2.087 -2.925 4.242 1.00 53.22 H new ATOM 0 HG23 ILE A 79 -3.216 -2.275 3.030 1.00 53.22 H new ATOM 0 HD11 ILE A 79 -1.532 1.259 1.492 1.00 2.44 H new ATOM 0 HD12 ILE A 79 -0.367 0.547 2.632 1.00 2.44 H new ATOM 0 HD13 ILE A 79 -1.353 -0.508 1.593 1.00 2.44 H new ATOM 1297 N LYS A 80 -3.908 -2.838 6.418 1.00 2.42 N ATOM 1298 CA LYS A 80 -3.863 -3.822 7.505 1.00 62.02 C ATOM 1299 C LYS A 80 -2.945 -5.019 7.172 1.00 52.15 C ATOM 1300 O LYS A 80 -3.211 -5.783 6.240 1.00 72.31 O ATOM 1301 CB LYS A 80 -5.289 -4.301 7.817 1.00 13.13 C ATOM 1302 CG LYS A 80 -5.425 -5.020 9.156 1.00 62.34 C ATOM 1303 CD LYS A 80 -6.865 -5.459 9.433 1.00 42.12 C ATOM 1304 CE LYS A 80 -7.851 -4.287 9.382 1.00 42.42 C ATOM 1305 NZ LYS A 80 -7.585 -3.268 10.437 1.00 11.35 N ATOM 0 H LYS A 80 -4.610 -3.033 5.704 1.00 2.42 H new ATOM 0 HA LYS A 80 -3.438 -3.337 8.384 1.00 62.02 H new ATOM 0 HB2 LYS A 80 -5.960 -3.442 7.808 1.00 13.13 H new ATOM 0 HB3 LYS A 80 -5.618 -4.970 7.022 1.00 13.13 H new ATOM 0 HG2 LYS A 80 -4.773 -5.893 9.165 1.00 62.34 H new ATOM 0 HG3 LYS A 80 -5.088 -4.361 9.956 1.00 62.34 H new ATOM 0 HD2 LYS A 80 -7.160 -6.211 8.701 1.00 42.12 H new ATOM 0 HD3 LYS A 80 -6.916 -5.931 10.414 1.00 42.12 H new ATOM 0 HE2 LYS A 80 -7.796 -3.813 8.402 1.00 42.42 H new ATOM 0 HE3 LYS A 80 -8.867 -4.666 9.496 1.00 42.42 H new ATOM 0 HZ1 LYS A 80 -8.400 -3.214 11.081 1.00 11.35 H new ATOM 0 HZ2 LYS A 80 -6.737 -3.538 10.974 1.00 11.35 H new ATOM 0 HZ3 LYS A 80 -7.433 -2.340 9.993 1.00 11.35 H new ATOM 1319 N ASP A 81 -1.870 -5.161 7.959 1.00 40.31 N ATOM 1320 CA ASP A 81 -0.910 -6.273 7.844 1.00 21.22 C ATOM 1321 C ASP A 81 -0.192 -6.328 6.481 1.00 0.13 C ATOM 1322 O ASP A 81 -0.715 -6.857 5.502 1.00 14.12 O ATOM 1323 CB ASP A 81 -1.594 -7.611 8.139 1.00 62.35 C ATOM 1324 CG ASP A 81 -2.112 -7.676 9.562 1.00 30.55 C ATOM 1325 OD1 ASP A 81 -1.294 -7.578 10.504 1.00 4.11 O ATOM 1326 OD2 ASP A 81 -3.341 -7.812 9.748 1.00 72.44 O ATOM 0 H ASP A 81 -1.638 -4.502 8.702 1.00 40.31 H new ATOM 0 HA ASP A 81 -0.139 -6.084 8.592 1.00 21.22 H new ATOM 0 HB2 ASP A 81 -2.421 -7.758 7.444 1.00 62.35 H new ATOM 0 HB3 ASP A 81 -0.888 -8.425 7.971 1.00 62.35 H new ATOM 1331 N VAL A 82 1.019 -5.774 6.435 1.00 72.22 N ATOM 1332 CA VAL A 82 1.872 -5.843 5.244 1.00 4.31 C ATOM 1333 C VAL A 82 3.309 -6.237 5.612 1.00 22.42 C ATOM 1334 O VAL A 82 3.684 -6.244 6.787 1.00 63.40 O ATOM 1335 CB VAL A 82 1.909 -4.493 4.479 1.00 24.23 C ATOM 1336 CG1 VAL A 82 0.527 -4.129 3.953 1.00 43.30 C ATOM 1337 CG2 VAL A 82 2.464 -3.376 5.364 1.00 11.53 C ATOM 0 H VAL A 82 1.436 -5.267 7.216 1.00 72.22 H new ATOM 0 HA VAL A 82 1.435 -6.605 4.599 1.00 4.31 H new ATOM 0 HB VAL A 82 2.577 -4.610 3.626 1.00 24.23 H new ATOM 0 HG11 VAL A 82 0.579 -3.179 3.421 1.00 43.30 H new ATOM 0 HG12 VAL A 82 0.180 -4.907 3.273 1.00 43.30 H new ATOM 0 HG13 VAL A 82 -0.168 -4.040 4.788 1.00 43.30 H new ATOM 0 HG21 VAL A 82 2.479 -2.441 4.804 1.00 11.53 H new ATOM 0 HG22 VAL A 82 1.832 -3.261 6.244 1.00 11.53 H new ATOM 0 HG23 VAL A 82 3.478 -3.628 5.676 1.00 11.53 H new ATOM 1347 N ASN A 83 4.104 -6.577 4.602 1.00 54.41 N ATOM 1348 CA ASN A 83 5.530 -6.845 4.801 1.00 52.34 C ATOM 1349 C ASN A 83 6.374 -5.709 4.212 1.00 60.32 C ATOM 1350 O ASN A 83 6.284 -5.405 3.021 1.00 63.32 O ATOM 1351 CB ASN A 83 5.936 -8.187 4.172 1.00 3.21 C ATOM 1352 CG ASN A 83 5.306 -9.385 4.867 1.00 41.42 C ATOM 1353 OD1 ASN A 83 5.064 -9.278 6.161 1.00 34.31 O flip ATOM 1354 ND2 ASN A 83 5.057 -10.415 4.247 1.00 53.01 N flip ATOM 0 H ASN A 83 3.788 -6.674 3.637 1.00 54.41 H new ATOM 0 HA ASN A 83 5.713 -6.904 5.874 1.00 52.34 H new ATOM 0 HB2 ASN A 83 5.648 -8.191 3.121 1.00 3.21 H new ATOM 0 HB3 ASN A 83 7.021 -8.284 4.205 1.00 3.21 H new ATOM 0 HD21 ASN A 83 5.254 -10.469 3.248 1.00 53.01 H new ATOM 0 HD22 ASN A 83 4.653 -11.217 4.731 1.00 53.01 H new ATOM 1361 N ILE A 84 7.193 -5.088 5.054 1.00 72.23 N ATOM 1362 CA ILE A 84 8.025 -3.961 4.630 1.00 54.50 C ATOM 1363 C ILE A 84 9.284 -4.447 3.895 1.00 1.13 C ATOM 1364 O ILE A 84 9.909 -5.428 4.293 1.00 3.11 O ATOM 1365 CB ILE A 84 8.446 -3.100 5.853 1.00 52.12 C ATOM 1366 CG1 ILE A 84 7.207 -2.641 6.646 1.00 52.22 C ATOM 1367 CG2 ILE A 84 9.281 -1.895 5.416 1.00 71.10 C ATOM 1368 CD1 ILE A 84 6.234 -1.804 5.842 1.00 34.41 C ATOM 0 H ILE A 84 7.301 -5.344 6.035 1.00 72.23 H new ATOM 0 HA ILE A 84 7.430 -3.354 3.947 1.00 54.50 H new ATOM 0 HB ILE A 84 9.063 -3.720 6.504 1.00 52.12 H new ATOM 0 HG12 ILE A 84 6.686 -3.520 7.026 1.00 52.22 H new ATOM 0 HG13 ILE A 84 7.535 -2.066 7.512 1.00 52.22 H new ATOM 0 HG21 ILE A 84 9.562 -1.310 6.292 1.00 71.10 H new ATOM 0 HG22 ILE A 84 10.181 -2.241 4.907 1.00 71.10 H new ATOM 0 HG23 ILE A 84 8.696 -1.274 4.737 1.00 71.10 H new ATOM 0 HD11 ILE A 84 5.390 -1.521 6.472 1.00 34.41 H new ATOM 0 HD12 ILE A 84 6.736 -0.905 5.484 1.00 34.41 H new ATOM 0 HD13 ILE A 84 5.874 -2.382 4.991 1.00 34.41 H new ATOM 1380 N ARG A 85 9.640 -3.771 2.808 1.00 34.42 N ATOM 1381 CA ARG A 85 10.860 -4.088 2.059 1.00 25.43 C ATOM 1382 C ARG A 85 11.778 -2.862 1.984 1.00 52.24 C ATOM 1383 O ARG A 85 11.363 -1.740 2.285 1.00 24.12 O ATOM 1384 CB ARG A 85 10.525 -4.576 0.643 1.00 43.21 C ATOM 1385 CG ARG A 85 9.560 -5.754 0.598 1.00 2.21 C ATOM 1386 CD ARG A 85 10.113 -6.992 1.299 1.00 73.25 C ATOM 1387 NE ARG A 85 9.192 -8.120 1.188 1.00 10.33 N ATOM 1388 CZ ARG A 85 9.151 -9.126 2.016 1.00 54.53 C ATOM 1389 NH1 ARG A 85 9.966 -9.195 3.019 1.00 24.31 N ATOM 1390 NH2 ARG A 85 8.289 -10.067 1.828 1.00 74.31 N ATOM 0 H ARG A 85 9.101 -2.996 2.421 1.00 34.42 H new ATOM 0 HA ARG A 85 11.378 -4.888 2.587 1.00 25.43 H new ATOM 0 HB2 ARG A 85 10.096 -3.748 0.078 1.00 43.21 H new ATOM 0 HB3 ARG A 85 11.450 -4.860 0.141 1.00 43.21 H new ATOM 0 HG2 ARG A 85 8.619 -5.466 1.066 1.00 2.21 H new ATOM 0 HG3 ARG A 85 9.338 -5.998 -0.441 1.00 2.21 H new ATOM 0 HD2 ARG A 85 11.075 -7.261 0.862 1.00 73.25 H new ATOM 0 HD3 ARG A 85 10.292 -6.768 2.351 1.00 73.25 H new ATOM 0 HE ARG A 85 8.535 -8.121 0.408 1.00 10.33 H new ATOM 0 HH11 ARG A 85 10.652 -8.456 3.170 1.00 24.31 H new ATOM 0 HH12 ARG A 85 9.922 -9.988 3.658 1.00 24.31 H new ATOM 0 HH21 ARG A 85 7.647 -10.020 1.037 1.00 74.31 H new ATOM 0 HH22 ARG A 85 8.249 -10.858 2.471 1.00 74.31 H new ATOM 1404 N GLY A 86 13.017 -3.077 1.564 1.00 43.41 N ATOM 1405 CA GLY A 86 14.005 -2.000 1.556 1.00 41.13 C ATOM 1406 C GLY A 86 14.581 -1.703 0.175 1.00 71.12 C ATOM 1407 O GLY A 86 15.648 -2.211 -0.184 1.00 2.33 O ATOM 0 H GLY A 86 13.362 -3.976 1.227 1.00 43.41 H new ATOM 0 HA2 GLY A 86 13.544 -1.094 1.950 1.00 41.13 H new ATOM 0 HA3 GLY A 86 14.820 -2.262 2.231 1.00 41.13 H new ATOM 1411 N GLY A 87 13.876 -0.885 -0.604 1.00 4.41 N ATOM 1412 CA GLY A 87 14.386 -0.457 -1.902 1.00 32.54 C ATOM 1413 C GLY A 87 15.354 0.720 -1.798 1.00 21.12 C ATOM 1414 O GLY A 87 15.435 1.379 -0.756 1.00 33.33 O ATOM 0 H GLY A 87 12.959 -0.509 -0.361 1.00 4.41 H new ATOM 0 HA2 GLY A 87 14.890 -1.295 -2.384 1.00 32.54 H new ATOM 0 HA3 GLY A 87 13.549 -0.178 -2.542 1.00 32.54 H new ATOM 1418 N PHE A 88 16.097 0.982 -2.871 1.00 73.52 N ATOM 1419 CA PHE A 88 17.030 2.117 -2.904 1.00 51.43 C ATOM 1420 C PHE A 88 16.290 3.441 -3.161 1.00 24.22 C ATOM 1421 O PHE A 88 15.252 3.471 -3.828 1.00 60.53 O ATOM 1422 CB PHE A 88 18.123 1.896 -3.966 1.00 1.42 C ATOM 1423 CG PHE A 88 17.616 1.845 -5.391 1.00 55.23 C ATOM 1424 CD1 PHE A 88 17.053 0.684 -5.907 1.00 23.52 C ATOM 1425 CD2 PHE A 88 17.707 2.960 -6.219 1.00 30.04 C ATOM 1426 CE1 PHE A 88 16.594 0.637 -7.210 1.00 63.41 C ATOM 1427 CE2 PHE A 88 17.249 2.914 -7.523 1.00 3.33 C ATOM 1428 CZ PHE A 88 16.692 1.751 -8.018 1.00 71.23 C ATOM 0 H PHE A 88 16.075 0.429 -3.728 1.00 73.52 H new ATOM 0 HA PHE A 88 17.506 2.182 -1.926 1.00 51.43 H new ATOM 0 HB2 PHE A 88 18.858 2.697 -3.884 1.00 1.42 H new ATOM 0 HB3 PHE A 88 18.642 0.963 -3.745 1.00 1.42 H new ATOM 0 HD1 PHE A 88 16.973 -0.193 -5.282 1.00 23.52 H new ATOM 0 HD2 PHE A 88 18.141 3.873 -5.838 1.00 30.04 H new ATOM 0 HE1 PHE A 88 16.158 -0.273 -7.596 1.00 63.41 H new ATOM 0 HE2 PHE A 88 17.327 3.787 -8.154 1.00 3.33 H new ATOM 0 HZ PHE A 88 16.334 1.714 -9.036 1.00 71.23 H new ATOM 1438 N GLY A 89 16.840 4.537 -2.639 1.00 3.35 N ATOM 1439 CA GLY A 89 16.195 5.843 -2.758 1.00 54.24 C ATOM 1440 C GLY A 89 15.657 6.373 -1.429 1.00 51.43 C ATOM 1441 O GLY A 89 14.858 7.312 -1.401 1.00 54.45 O ATOM 0 H GLY A 89 17.725 4.547 -2.133 1.00 3.35 H new ATOM 0 HA2 GLY A 89 16.910 6.558 -3.164 1.00 54.24 H new ATOM 0 HA3 GLY A 89 15.375 5.772 -3.472 1.00 54.24 H new ATOM 1445 N GLY A 90 16.091 5.771 -0.323 1.00 1.32 N ATOM 1446 CA GLY A 90 15.676 6.229 1.002 1.00 70.44 C ATOM 1447 C GLY A 90 14.284 5.745 1.408 1.00 1.13 C ATOM 1448 O GLY A 90 14.122 5.085 2.439 1.00 10.22 O ATOM 0 H GLY A 90 16.725 4.972 -0.317 1.00 1.32 H new ATOM 0 HA2 GLY A 90 16.401 5.885 1.740 1.00 70.44 H new ATOM 0 HA3 GLY A 90 15.693 7.319 1.023 1.00 70.44 H new ATOM 1452 N ARG A 91 13.279 6.078 0.602 1.00 2.33 N ATOM 1453 CA ARG A 91 11.891 5.687 0.879 1.00 52.24 C ATOM 1454 C ARG A 91 11.675 4.177 0.699 1.00 42.31 C ATOM 1455 O ARG A 91 11.918 3.623 -0.375 1.00 61.40 O ATOM 1456 CB ARG A 91 10.932 6.467 -0.028 1.00 3.51 C ATOM 1457 CG ARG A 91 10.905 7.965 0.252 1.00 20.02 C ATOM 1458 CD ARG A 91 10.012 8.703 -0.737 1.00 72.53 C ATOM 1459 NE ARG A 91 9.875 10.119 -0.405 1.00 53.32 N ATOM 1460 CZ ARG A 91 10.365 11.096 -1.116 1.00 61.31 C ATOM 1461 NH1 ARG A 91 11.101 10.856 -2.157 1.00 11.41 N ATOM 1462 NH2 ARG A 91 10.127 12.316 -0.768 1.00 61.31 N ATOM 0 H ARG A 91 13.397 6.621 -0.254 1.00 2.33 H new ATOM 0 HA ARG A 91 11.683 5.929 1.921 1.00 52.24 H new ATOM 0 HB2 ARG A 91 11.218 6.306 -1.068 1.00 3.51 H new ATOM 0 HB3 ARG A 91 9.926 6.066 0.092 1.00 3.51 H new ATOM 0 HG2 ARG A 91 10.548 8.140 1.267 1.00 20.02 H new ATOM 0 HG3 ARG A 91 11.918 8.365 0.197 1.00 20.02 H new ATOM 0 HD2 ARG A 91 10.426 8.605 -1.741 1.00 72.53 H new ATOM 0 HD3 ARG A 91 9.026 8.238 -0.752 1.00 72.53 H new ATOM 0 HE ARG A 91 9.360 10.360 0.442 1.00 53.32 H new ATOM 0 HH11 ARG A 91 11.303 9.894 -2.428 1.00 11.41 H new ATOM 0 HH12 ARG A 91 11.478 11.630 -2.704 1.00 11.41 H new ATOM 0 HH21 ARG A 91 9.560 12.510 0.057 1.00 61.31 H new ATOM 0 HH22 ARG A 91 10.506 13.087 -1.318 1.00 61.31 H new ATOM 1476 N LYS A 92 11.201 3.522 1.757 1.00 22.40 N ATOM 1477 CA LYS A 92 10.942 2.078 1.732 1.00 33.54 C ATOM 1478 C LYS A 92 9.593 1.756 1.060 1.00 42.24 C ATOM 1479 O LYS A 92 8.869 2.653 0.619 1.00 71.24 O ATOM 1480 CB LYS A 92 10.966 1.521 3.163 1.00 72.22 C ATOM 1481 CG LYS A 92 12.256 1.831 3.918 1.00 43.32 C ATOM 1482 CD LYS A 92 12.234 1.279 5.340 1.00 51.32 C ATOM 1483 CE LYS A 92 13.473 1.700 6.123 1.00 34.13 C ATOM 1484 NZ LYS A 92 13.460 1.174 7.511 1.00 51.13 N ATOM 0 H LYS A 92 10.986 3.969 2.649 1.00 22.40 H new ATOM 0 HA LYS A 92 11.727 1.604 1.143 1.00 33.54 H new ATOM 0 HB2 LYS A 92 10.122 1.932 3.718 1.00 72.22 H new ATOM 0 HB3 LYS A 92 10.827 0.440 3.126 1.00 72.22 H new ATOM 0 HG2 LYS A 92 13.103 1.407 3.378 1.00 43.32 H new ATOM 0 HG3 LYS A 92 12.406 2.910 3.950 1.00 43.32 H new ATOM 0 HD2 LYS A 92 11.340 1.632 5.854 1.00 51.32 H new ATOM 0 HD3 LYS A 92 12.175 0.191 5.308 1.00 51.32 H new ATOM 0 HE2 LYS A 92 14.365 1.343 5.609 1.00 34.13 H new ATOM 0 HE3 LYS A 92 13.533 2.788 6.148 1.00 34.13 H new ATOM 0 HZ1 LYS A 92 14.042 1.785 8.119 1.00 51.13 H new ATOM 0 HZ2 LYS A 92 12.483 1.160 7.868 1.00 51.13 H new ATOM 0 HZ3 LYS A 92 13.846 0.208 7.520 1.00 51.13 H new ATOM 1498 N GLU A 93 9.249 0.472 1.013 1.00 73.11 N ATOM 1499 CA GLU A 93 8.024 0.016 0.347 1.00 23.42 C ATOM 1500 C GLU A 93 7.301 -1.045 1.194 1.00 25.42 C ATOM 1501 O GLU A 93 7.919 -1.718 2.018 1.00 72.12 O ATOM 1502 CB GLU A 93 8.366 -0.534 -1.050 1.00 32.11 C ATOM 1503 CG GLU A 93 9.408 -1.648 -1.037 1.00 2.00 C ATOM 1504 CD GLU A 93 9.953 -1.982 -2.420 1.00 23.24 C ATOM 1505 OE1 GLU A 93 10.935 -1.338 -2.849 1.00 14.52 O ATOM 1506 OE2 GLU A 93 9.413 -2.894 -3.082 1.00 73.13 O ATOM 0 H GLU A 93 9.802 -0.277 1.429 1.00 73.11 H new ATOM 0 HA GLU A 93 7.348 0.864 0.235 1.00 23.42 H new ATOM 0 HB2 GLU A 93 7.454 -0.908 -1.516 1.00 32.11 H new ATOM 0 HB3 GLU A 93 8.730 0.283 -1.673 1.00 32.11 H new ATOM 0 HG2 GLU A 93 10.235 -1.355 -0.390 1.00 2.00 H new ATOM 0 HG3 GLU A 93 8.965 -2.544 -0.603 1.00 2.00 H new ATOM 1513 N ALA A 94 5.993 -1.188 0.991 1.00 41.22 N ATOM 1514 CA ALA A 94 5.177 -2.119 1.783 1.00 60.11 C ATOM 1515 C ALA A 94 4.338 -3.037 0.883 1.00 52.00 C ATOM 1516 O ALA A 94 3.455 -2.574 0.161 1.00 43.24 O ATOM 1517 CB ALA A 94 4.273 -1.341 2.732 1.00 75.15 C ATOM 0 H ALA A 94 5.470 -0.671 0.284 1.00 41.22 H new ATOM 0 HA ALA A 94 5.851 -2.749 2.363 1.00 60.11 H new ATOM 0 HB1 ALA A 94 3.672 -2.038 3.315 1.00 75.15 H new ATOM 0 HB2 ALA A 94 4.884 -0.738 3.404 1.00 75.15 H new ATOM 0 HB3 ALA A 94 3.616 -0.689 2.156 1.00 75.15 H new ATOM 1523 N HIS A 95 4.609 -4.338 0.941 1.00 61.33 N ATOM 1524 CA HIS A 95 3.908 -5.318 0.102 1.00 25.42 C ATOM 1525 C HIS A 95 2.724 -5.957 0.843 1.00 51.43 C ATOM 1526 O HIS A 95 2.868 -6.463 1.958 1.00 75.40 O ATOM 1527 CB HIS A 95 4.885 -6.399 -0.372 1.00 35.40 C ATOM 1528 CG HIS A 95 5.852 -5.914 -1.412 1.00 2.22 C ATOM 1529 ND1 HIS A 95 5.692 -6.241 -2.735 1.00 53.01 N ATOM 1530 CD2 HIS A 95 6.956 -5.135 -1.282 1.00 43.21 C ATOM 1531 CE1 HIS A 95 6.687 -5.658 -3.378 1.00 20.10 C ATOM 1532 NE2 HIS A 95 7.477 -4.977 -2.541 1.00 43.44 N ATOM 0 H HIS A 95 5.310 -4.743 1.561 1.00 61.33 H new ATOM 0 HA HIS A 95 3.508 -4.790 -0.764 1.00 25.42 H new ATOM 0 HB2 HIS A 95 5.443 -6.775 0.485 1.00 35.40 H new ATOM 0 HB3 HIS A 95 4.319 -7.238 -0.776 1.00 35.40 H new ATOM 0 HD2 HIS A 95 7.348 -4.720 -0.365 1.00 43.21 H new ATOM 0 HE1 HIS A 95 6.843 -5.723 -4.445 1.00 20.10 H new ATOM 0 HE2 HIS A 95 8.309 -4.442 -2.791 1.00 43.44 H new ATOM 1540 N LEU A 96 1.556 -5.933 0.203 1.00 74.44 N ATOM 1541 CA LEU A 96 0.323 -6.469 0.788 1.00 44.02 C ATOM 1542 C LEU A 96 0.203 -7.994 0.604 1.00 33.42 C ATOM 1543 O LEU A 96 1.094 -8.654 0.059 1.00 12.34 O ATOM 1544 CB LEU A 96 -0.906 -5.770 0.171 1.00 33.12 C ATOM 1545 CG LEU A 96 -1.234 -4.371 0.734 1.00 51.24 C ATOM 1546 CD1 LEU A 96 -0.120 -3.369 0.429 1.00 71.03 C ATOM 1547 CD2 LEU A 96 -2.571 -3.871 0.192 1.00 2.23 C ATOM 0 H LEU A 96 1.435 -5.544 -0.732 1.00 74.44 H new ATOM 0 HA LEU A 96 0.362 -6.269 1.859 1.00 44.02 H new ATOM 0 HB2 LEU A 96 -0.749 -5.681 -0.904 1.00 33.12 H new ATOM 0 HB3 LEU A 96 -1.775 -6.412 0.314 1.00 33.12 H new ATOM 0 HG LEU A 96 -1.311 -4.461 1.818 1.00 51.24 H new ATOM 0 HD11 LEU A 96 -0.384 -2.395 0.840 1.00 71.03 H new ATOM 0 HD12 LEU A 96 0.811 -3.712 0.879 1.00 71.03 H new ATOM 0 HD13 LEU A 96 0.008 -3.285 -0.650 1.00 71.03 H new ATOM 0 HD21 LEU A 96 -2.783 -2.883 0.601 1.00 2.23 H new ATOM 0 HD22 LEU A 96 -2.523 -3.811 -0.895 1.00 2.23 H new ATOM 0 HD23 LEU A 96 -3.363 -4.562 0.482 1.00 2.23 H new ATOM 1559 N MET A 97 -0.911 -8.541 1.083 1.00 11.14 N ATOM 1560 CA MET A 97 -1.189 -9.981 1.022 1.00 63.10 C ATOM 1561 C MET A 97 -2.627 -10.224 0.531 1.00 5.32 C ATOM 1562 O MET A 97 -3.473 -9.338 0.644 1.00 0.42 O ATOM 1563 CB MET A 97 -1.022 -10.585 2.425 1.00 32.53 C ATOM 1564 CG MET A 97 0.282 -10.199 3.104 1.00 50.32 C ATOM 1565 SD MET A 97 0.319 -10.675 4.841 1.00 12.21 S ATOM 1566 CE MET A 97 1.849 -9.902 5.356 1.00 63.02 C ATOM 0 H MET A 97 -1.652 -7.999 1.527 1.00 11.14 H new ATOM 0 HA MET A 97 -0.493 -10.451 0.327 1.00 63.10 H new ATOM 0 HB2 MET A 97 -1.856 -10.265 3.050 1.00 32.53 H new ATOM 0 HB3 MET A 97 -1.076 -11.671 2.352 1.00 32.53 H new ATOM 0 HG2 MET A 97 1.114 -10.672 2.583 1.00 50.32 H new ATOM 0 HG3 MET A 97 0.426 -9.122 3.022 1.00 50.32 H new ATOM 0 HE1 MET A 97 2.400 -10.583 6.005 1.00 63.02 H new ATOM 0 HE2 MET A 97 2.452 -9.669 4.479 1.00 63.02 H new ATOM 0 HE3 MET A 97 1.628 -8.983 5.899 1.00 63.02 H new ATOM 1576 N PRO A 98 -2.944 -11.426 0.002 1.00 34.12 N ATOM 1577 CA PRO A 98 -4.317 -11.759 -0.437 1.00 44.14 C ATOM 1578 C PRO A 98 -5.381 -11.539 0.661 1.00 5.02 C ATOM 1579 O PRO A 98 -6.577 -11.451 0.371 1.00 25.03 O ATOM 1580 CB PRO A 98 -4.220 -13.247 -0.802 1.00 72.15 C ATOM 1581 CG PRO A 98 -2.783 -13.456 -1.148 1.00 64.11 C ATOM 1582 CD PRO A 98 -2.004 -12.541 -0.239 1.00 42.23 C ATOM 0 HA PRO A 98 -4.639 -11.118 -1.257 1.00 44.14 H new ATOM 0 HB2 PRO A 98 -4.523 -13.880 0.032 1.00 72.15 H new ATOM 0 HB3 PRO A 98 -4.870 -13.493 -1.642 1.00 72.15 H new ATOM 0 HG2 PRO A 98 -2.492 -14.496 -0.999 1.00 64.11 H new ATOM 0 HG3 PRO A 98 -2.595 -13.220 -2.195 1.00 64.11 H new ATOM 0 HD2 PRO A 98 -1.723 -13.039 0.689 1.00 42.23 H new ATOM 0 HD3 PRO A 98 -1.082 -12.197 -0.708 1.00 42.23 H new ATOM 1590 N ARG A 99 -4.939 -11.460 1.919 1.00 23.01 N ATOM 1591 CA ARG A 99 -5.842 -11.244 3.062 1.00 33.43 C ATOM 1592 C ARG A 99 -5.852 -9.771 3.522 1.00 52.01 C ATOM 1593 O ARG A 99 -6.712 -9.360 4.306 1.00 60.33 O ATOM 1594 CB ARG A 99 -5.408 -12.127 4.239 1.00 50.54 C ATOM 1595 CG ARG A 99 -5.190 -13.591 3.875 1.00 11.43 C ATOM 1596 CD ARG A 99 -4.723 -14.404 5.077 1.00 51.34 C ATOM 1597 NE ARG A 99 -4.339 -15.764 4.708 1.00 13.40 N ATOM 1598 CZ ARG A 99 -4.133 -16.722 5.571 1.00 14.52 C ATOM 1599 NH1 ARG A 99 -4.306 -16.518 6.843 1.00 50.14 N ATOM 1600 NH2 ARG A 99 -3.763 -17.890 5.156 1.00 74.20 N ATOM 0 H ARG A 99 -3.956 -11.543 2.177 1.00 23.01 H new ATOM 0 HA ARG A 99 -6.848 -11.507 2.735 1.00 33.43 H new ATOM 0 HB2 ARG A 99 -4.484 -11.727 4.657 1.00 50.54 H new ATOM 0 HB3 ARG A 99 -6.165 -12.068 5.021 1.00 50.54 H new ATOM 0 HG2 ARG A 99 -6.118 -14.012 3.488 1.00 11.43 H new ATOM 0 HG3 ARG A 99 -4.451 -13.662 3.077 1.00 11.43 H new ATOM 0 HD2 ARG A 99 -3.875 -13.903 5.545 1.00 51.34 H new ATOM 0 HD3 ARG A 99 -5.520 -14.442 5.819 1.00 51.34 H new ATOM 0 HE ARG A 99 -4.225 -15.978 3.717 1.00 13.40 H new ATOM 0 HH11 ARG A 99 -4.606 -15.602 7.176 1.00 50.14 H new ATOM 0 HH12 ARG A 99 -4.142 -17.274 7.508 1.00 50.14 H new ATOM 0 HH21 ARG A 99 -3.633 -18.059 4.159 1.00 74.20 H new ATOM 0 HH22 ARG A 99 -3.601 -18.642 5.826 1.00 74.20 H new ATOM 1614 N SER A 100 -4.891 -8.986 3.038 1.00 2.15 N ATOM 1615 CA SER A 100 -4.707 -7.598 3.490 1.00 44.33 C ATOM 1616 C SER A 100 -5.829 -6.678 3.009 1.00 44.04 C ATOM 1617 O SER A 100 -6.134 -6.617 1.819 1.00 63.24 O ATOM 1618 CB SER A 100 -3.362 -7.046 3.004 1.00 53.42 C ATOM 1619 OG SER A 100 -2.282 -7.847 3.457 1.00 44.30 O ATOM 0 H SER A 100 -4.222 -9.285 2.329 1.00 2.15 H new ATOM 0 HA SER A 100 -4.728 -7.620 4.580 1.00 44.33 H new ATOM 0 HB2 SER A 100 -3.355 -7.005 1.915 1.00 53.42 H new ATOM 0 HB3 SER A 100 -3.235 -6.024 3.362 1.00 53.42 H new ATOM 0 HG SER A 100 -1.810 -7.382 4.179 1.00 44.30 H new ATOM 1625 N THR A 101 -6.426 -5.955 3.947 1.00 62.43 N ATOM 1626 CA THR A 101 -7.493 -4.993 3.642 1.00 23.35 C ATOM 1627 C THR A 101 -7.075 -3.571 4.040 1.00 41.41 C ATOM 1628 O THR A 101 -6.150 -3.386 4.830 1.00 21.44 O ATOM 1629 CB THR A 101 -8.803 -5.355 4.385 1.00 64.41 C ATOM 1630 OG1 THR A 101 -8.577 -5.368 5.806 1.00 74.31 O ATOM 1631 CG2 THR A 101 -9.325 -6.719 3.940 1.00 72.31 C ATOM 0 H THR A 101 -6.191 -6.013 4.938 1.00 62.43 H new ATOM 0 HA THR A 101 -7.667 -5.036 2.567 1.00 23.35 H new ATOM 0 HB THR A 101 -9.550 -4.599 4.141 1.00 64.41 H new ATOM 0 HG1 THR A 101 -9.411 -5.596 6.268 1.00 74.31 H new ATOM 0 HG21 THR A 101 -10.245 -6.949 4.477 1.00 72.31 H new ATOM 0 HG22 THR A 101 -9.525 -6.700 2.869 1.00 72.31 H new ATOM 0 HG23 THR A 101 -8.578 -7.483 4.157 1.00 72.31 H new ATOM 1639 N VAL A 102 -7.749 -2.562 3.484 1.00 24.13 N ATOM 1640 CA VAL A 102 -7.468 -1.161 3.835 1.00 74.34 C ATOM 1641 C VAL A 102 -8.719 -0.467 4.390 1.00 50.22 C ATOM 1642 O VAL A 102 -9.848 -0.840 4.068 1.00 2.33 O ATOM 1643 CB VAL A 102 -6.932 -0.345 2.625 1.00 54.33 C ATOM 1644 CG1 VAL A 102 -5.695 -1.008 2.024 1.00 30.43 C ATOM 1645 CG2 VAL A 102 -8.016 -0.143 1.564 1.00 53.11 C ATOM 0 H VAL A 102 -8.489 -2.683 2.793 1.00 24.13 H new ATOM 0 HA VAL A 102 -6.694 -1.190 4.602 1.00 74.34 H new ATOM 0 HB VAL A 102 -6.643 0.640 2.993 1.00 54.33 H new ATOM 0 HG11 VAL A 102 -5.340 -0.418 1.179 1.00 30.43 H new ATOM 0 HG12 VAL A 102 -4.911 -1.069 2.779 1.00 30.43 H new ATOM 0 HG13 VAL A 102 -5.949 -2.012 1.684 1.00 30.43 H new ATOM 0 HG21 VAL A 102 -7.608 0.431 0.732 1.00 53.11 H new ATOM 0 HG22 VAL A 102 -8.357 -1.113 1.203 1.00 53.11 H new ATOM 0 HG23 VAL A 102 -8.856 0.397 2.000 1.00 53.11 H new ATOM 1655 N GLU A 103 -8.508 0.533 5.232 1.00 22.34 N ATOM 1656 CA GLU A 103 -9.603 1.328 5.794 1.00 53.43 C ATOM 1657 C GLU A 103 -9.237 2.818 5.794 1.00 43.35 C ATOM 1658 O GLU A 103 -8.073 3.179 5.969 1.00 1.33 O ATOM 1659 CB GLU A 103 -9.923 0.845 7.216 1.00 14.14 C ATOM 1660 CG GLU A 103 -8.760 0.976 8.194 1.00 34.33 C ATOM 1661 CD GLU A 103 -8.967 0.175 9.471 1.00 53.41 C ATOM 1662 OE1 GLU A 103 -9.933 0.451 10.208 1.00 41.34 O ATOM 1663 OE2 GLU A 103 -8.147 -0.725 9.757 1.00 44.31 O ATOM 0 H GLU A 103 -7.581 0.820 5.547 1.00 22.34 H new ATOM 0 HA GLU A 103 -10.490 1.198 5.175 1.00 53.43 H new ATOM 0 HB2 GLU A 103 -10.771 1.412 7.599 1.00 14.14 H new ATOM 0 HB3 GLU A 103 -10.232 -0.200 7.173 1.00 14.14 H new ATOM 0 HG2 GLU A 103 -7.843 0.643 7.707 1.00 34.33 H new ATOM 0 HG3 GLU A 103 -8.623 2.027 8.449 1.00 34.33 H new ATOM 1670 N VAL A 104 -10.223 3.681 5.581 1.00 34.00 N ATOM 1671 CA VAL A 104 -9.965 5.122 5.489 1.00 40.44 C ATOM 1672 C VAL A 104 -10.049 5.820 6.856 1.00 73.45 C ATOM 1673 O VAL A 104 -11.026 5.677 7.594 1.00 31.10 O ATOM 1674 CB VAL A 104 -10.930 5.808 4.490 1.00 4.14 C ATOM 1675 CG1 VAL A 104 -10.642 5.340 3.064 1.00 30.13 C ATOM 1676 CG2 VAL A 104 -12.389 5.545 4.861 1.00 43.12 C ATOM 0 H VAL A 104 -11.202 3.417 5.469 1.00 34.00 H new ATOM 0 HA VAL A 104 -8.944 5.224 5.122 1.00 40.44 H new ATOM 0 HB VAL A 104 -10.763 6.884 4.543 1.00 4.14 H new ATOM 0 HG11 VAL A 104 -11.328 5.831 2.374 1.00 30.13 H new ATOM 0 HG12 VAL A 104 -9.616 5.595 2.798 1.00 30.13 H new ATOM 0 HG13 VAL A 104 -10.776 4.260 3.001 1.00 30.13 H new ATOM 0 HG21 VAL A 104 -13.042 6.039 4.142 1.00 43.12 H new ATOM 0 HG22 VAL A 104 -12.580 4.472 4.847 1.00 43.12 H new ATOM 0 HG23 VAL A 104 -12.587 5.936 5.859 1.00 43.12 H new ATOM 1686 N LEU A 105 -9.005 6.576 7.187 1.00 72.50 N ATOM 1687 CA LEU A 105 -8.953 7.334 8.441 1.00 51.25 C ATOM 1688 C LEU A 105 -9.308 8.813 8.214 1.00 24.14 C ATOM 1689 O LEU A 105 -9.343 9.607 9.155 1.00 43.53 O ATOM 1690 CB LEU A 105 -7.561 7.215 9.077 1.00 44.10 C ATOM 1691 CG LEU A 105 -7.052 5.777 9.286 1.00 60.40 C ATOM 1692 CD1 LEU A 105 -5.713 5.778 10.020 1.00 25.15 C ATOM 1693 CD2 LEU A 105 -8.082 4.927 10.032 1.00 71.51 C ATOM 0 H LEU A 105 -8.177 6.682 6.602 1.00 72.50 H new ATOM 0 HA LEU A 105 -9.692 6.910 9.120 1.00 51.25 H new ATOM 0 HB2 LEU A 105 -6.847 7.748 8.449 1.00 44.10 H new ATOM 0 HB3 LEU A 105 -7.577 7.721 10.042 1.00 44.10 H new ATOM 0 HG LEU A 105 -6.902 5.330 8.303 1.00 60.40 H new ATOM 0 HD11 LEU A 105 -5.372 4.752 10.157 1.00 25.15 H new ATOM 0 HD12 LEU A 105 -4.977 6.329 9.434 1.00 25.15 H new ATOM 0 HD13 LEU A 105 -5.832 6.254 10.994 1.00 25.15 H new ATOM 0 HD21 LEU A 105 -7.693 3.917 10.164 1.00 71.51 H new ATOM 0 HD22 LEU A 105 -8.281 5.370 11.008 1.00 71.51 H new ATOM 0 HD23 LEU A 105 -9.007 4.887 9.456 1.00 71.51 H new ATOM 1705 N ASP A 106 -9.560 9.177 6.956 1.00 72.45 N ATOM 1706 CA ASP A 106 -10.008 10.531 6.617 1.00 55.02 C ATOM 1707 C ASP A 106 -11.510 10.679 6.958 1.00 5.24 C ATOM 1708 O ASP A 106 -11.885 11.579 7.710 1.00 52.42 O ATOM 1709 CB ASP A 106 -9.696 10.838 5.147 1.00 25.20 C ATOM 1710 CG ASP A 106 -10.040 12.259 4.745 1.00 24.34 C ATOM 1711 OD1 ASP A 106 -11.213 12.520 4.400 1.00 11.13 O ATOM 1712 OD2 ASP A 106 -9.139 13.117 4.755 1.00 41.21 O ATOM 0 H ASP A 106 -9.462 8.554 6.154 1.00 72.45 H new ATOM 0 HA ASP A 106 -9.467 11.267 7.211 1.00 55.02 H new ATOM 0 HB2 ASP A 106 -8.636 10.662 4.963 1.00 25.20 H new ATOM 0 HB3 ASP A 106 -10.249 10.145 4.513 1.00 25.20 H new ATOM 1717 N PRO A 107 -12.402 9.809 6.416 1.00 41.25 N ATOM 1718 CA PRO A 107 -13.704 9.548 7.025 1.00 11.32 C ATOM 1719 C PRO A 107 -13.547 8.426 8.059 1.00 2.21 C ATOM 1720 O PRO A 107 -13.956 7.284 7.831 1.00 23.33 O ATOM 1721 CB PRO A 107 -14.594 9.113 5.841 1.00 0.20 C ATOM 1722 CG PRO A 107 -13.687 9.039 4.647 1.00 33.10 C ATOM 1723 CD PRO A 107 -12.272 9.049 5.170 1.00 75.33 C ATOM 0 HA PRO A 107 -14.132 10.404 7.548 1.00 11.32 H new ATOM 0 HB2 PRO A 107 -15.060 8.147 6.037 1.00 0.20 H new ATOM 0 HB3 PRO A 107 -15.400 9.828 5.675 1.00 0.20 H new ATOM 0 HG2 PRO A 107 -13.880 8.134 4.071 1.00 33.10 H new ATOM 0 HG3 PRO A 107 -13.858 9.883 3.979 1.00 33.10 H new ATOM 0 HD2 PRO A 107 -11.897 8.041 5.346 1.00 75.33 H new ATOM 0 HD3 PRO A 107 -11.584 9.527 4.472 1.00 75.33 H new ATOM 1731 N LEU A 108 -12.913 8.783 9.175 1.00 12.33 N ATOM 1732 CA LEU A 108 -12.397 7.828 10.170 1.00 63.55 C ATOM 1733 C LEU A 108 -13.347 6.649 10.432 1.00 12.42 C ATOM 1734 O LEU A 108 -14.472 6.826 10.903 1.00 14.31 O ATOM 1735 CB LEU A 108 -12.080 8.595 11.471 1.00 14.35 C ATOM 1736 CG LEU A 108 -11.374 7.814 12.606 1.00 33.44 C ATOM 1737 CD1 LEU A 108 -12.339 6.895 13.358 1.00 1.25 C ATOM 1738 CD2 LEU A 108 -10.191 7.018 12.057 1.00 72.14 C ATOM 0 H LEU A 108 -12.738 9.757 9.422 1.00 12.33 H new ATOM 0 HA LEU A 108 -11.489 7.378 9.768 1.00 63.55 H new ATOM 0 HB2 LEU A 108 -11.457 9.451 11.213 1.00 14.35 H new ATOM 0 HB3 LEU A 108 -13.016 8.989 11.866 1.00 14.35 H new ATOM 0 HG LEU A 108 -11.002 8.548 13.321 1.00 33.44 H new ATOM 0 HD11 LEU A 108 -11.800 6.367 14.145 1.00 1.25 H new ATOM 0 HD12 LEU A 108 -13.137 7.490 13.801 1.00 1.25 H new ATOM 0 HD13 LEU A 108 -12.768 6.172 12.664 1.00 1.25 H new ATOM 0 HD21 LEU A 108 -9.708 6.476 12.870 1.00 72.14 H new ATOM 0 HD22 LEU A 108 -10.545 6.309 11.309 1.00 72.14 H new ATOM 0 HD23 LEU A 108 -9.474 7.700 11.600 1.00 72.14 H new ATOM 1750 N GLU A 109 -12.871 5.444 10.109 1.00 4.11 N ATOM 1751 CA GLU A 109 -13.603 4.207 10.393 1.00 73.23 C ATOM 1752 C GLU A 109 -13.226 3.658 11.785 1.00 72.23 C ATOM 1753 O GLU A 109 -14.098 3.372 12.608 1.00 22.10 O ATOM 1754 CB GLU A 109 -13.309 3.154 9.308 1.00 33.14 C ATOM 1755 CG GLU A 109 -14.245 1.949 9.357 1.00 31.43 C ATOM 1756 CD GLU A 109 -13.885 0.859 8.355 1.00 3.21 C ATOM 1757 OE1 GLU A 109 -13.863 1.139 7.136 1.00 41.15 O ATOM 1758 OE2 GLU A 109 -13.657 -0.291 8.779 1.00 15.31 O ATOM 0 H GLU A 109 -11.974 5.298 9.646 1.00 4.11 H new ATOM 0 HA GLU A 109 -14.670 4.430 10.389 1.00 73.23 H new ATOM 0 HB2 GLU A 109 -13.386 3.624 8.327 1.00 33.14 H new ATOM 0 HB3 GLU A 109 -12.281 2.810 9.417 1.00 33.14 H new ATOM 0 HG2 GLU A 109 -14.229 1.527 10.362 1.00 31.43 H new ATOM 0 HG3 GLU A 109 -15.265 2.283 9.168 1.00 31.43 H new ATOM 1765 N HIS A 110 -11.919 3.503 12.040 1.00 50.41 N ATOM 1766 CA HIS A 110 -11.413 3.052 13.355 1.00 21.32 C ATOM 1767 C HIS A 110 -10.209 3.896 13.836 1.00 50.02 C ATOM 1768 O HIS A 110 -10.395 4.762 14.717 1.00 39.08 O ATOM 1769 CB HIS A 110 -11.020 1.568 13.313 1.00 14.01 C ATOM 1770 CG HIS A 110 -12.184 0.633 13.352 1.00 33.04 C ATOM 1771 ND1 HIS A 110 -13.137 0.374 12.434 1.00 2.11 N flip ATOM 1772 CD2 HIS A 110 -12.464 -0.182 14.429 1.00 62.40 C flip ATOM 1773 CE1 HIS A 110 -13.963 -0.584 12.965 1.00 64.14 C flip ATOM 1774 NE2 HIS A 110 -13.536 -0.901 14.169 1.00 53.31 N flip ATOM 0 H HIS A 110 -11.186 3.683 11.353 1.00 50.41 H new ATOM 0 HA HIS A 110 -12.227 3.188 14.067 1.00 21.32 H new ATOM 0 HB2 HIS A 110 -10.445 1.380 12.406 1.00 14.01 H new ATOM 0 HB3 HIS A 110 -10.364 1.352 14.156 1.00 14.01 H new ATOM 0 HD2 HIS A 110 -11.892 -0.224 15.344 1.00 62.40 H new ATOM 0 HE1 HIS A 110 -14.825 -1.010 12.474 1.00 64.14 H new ATOM 0 HE2 HIS A 110 -13.962 -1.586 14.793 1.00 53.31 H new TER 1783 HIS A 110